#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbl n ILE 37 N 0.00 0.39 -0.01 -0.39 5.41 -1.26 -4.88 119.36 118.61 3hbl n ILE 37 Ca 0.00 -0.07 -0.01 0.00 1.00 0.00 0.00 62.75 63.67 3hbl n ILE 37 Cb 0.00 -1.50 -0.03 0.00 -0.71 0.00 0.00 39.64 37.40 3hbl n ILE 37 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3hbl n LYS 38 N 5.64 2.51 -4.15 0.38 4.76 -1.26 -4.88 118.16 121.16 3hbl n LYS 38 Ca 0.24 -0.01 -0.25 0.00 -2.87 0.00 0.00 58.31 55.42 3hbl n LYS 38 Cb 0.21 -1.09 -0.17 0.00 -1.84 0.00 0.00 35.03 32.15 3hbl n LYS 38 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3hbl s LYS 39 N -2.13 1.40 -0.07 1.97 2.20 -1.26 -1.16 119.74 120.69 3hbl s LYS 39 Ca -0.02 -0.25 0.03 0.00 -0.36 0.00 0.00 55.97 55.37 3hbl s LYS 39 Cb 0.01 -1.36 -0.02 0.00 -1.51 0.00 0.00 37.83 34.95 3hbl s LYS 39 CO 0.14 -0.15 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.67 3hbl s LEU 40 N 1.27 2.69 -0.05 5.43 0.20 0.12 -0.99 118.68 127.35 3hbl s LEU 40 Ca -0.04 -0.25 0.03 0.00 0.69 0.00 0.00 54.13 54.57 3hbl s LEU 40 Cb -0.14 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 3hbl s LEU 40 CO -0.03 0.30 -0.13 -0.22 -0.29 0.00 0.00 176.35 175.98 3hbl s LEU 41 N -0.44 2.80 -0.27 -0.68 0.20 -0.37 -0.38 118.68 119.54 3hbl s LEU 41 Ca 0.05 -0.17 -0.08 0.00 0.69 0.00 0.00 54.13 54.62 3hbl s LEU 41 Cb -0.12 -1.58 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 3hbl s LEU 41 CO 0.02 0.35 0.11 -0.69 -0.29 0.00 0.00 176.35 175.85 3hbl s VAL 42 N -0.73 4.57 -1.33 1.68 1.01 -0.72 -1.17 120.40 123.71 3hbl s VAL 42 Ca 0.11 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 3hbl s VAL 42 Cb -0.11 -3.19 0.12 0.00 0.00 0.00 0.00 36.38 33.21 3hbl s VAL 42 CO 0.01 0.26 2.23 0.00 0.00 0.00 0.00 175.10 177.61 3hbl n ALA 43 N 4.96 6.31 -3.53 5.51 0.00 -0.49 -3.96 120.51 129.31 3hbl n ALA 43 Ca -0.15 -4.13 0.04 0.00 0.00 0.00 0.00 53.44 49.20 3hbl n ALA 43 Cb 0.51 -2.90 0.01 0.00 0.00 0.00 0.00 19.45 17.07 3hbl n ALA 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hbl n ASN 44 N 2.72 -1.13 -2.88 0.00 5.15 -1.26 -4.66 115.26 113.20 3hbl n ASN 44 Ca 0.55 -1.64 -0.16 0.00 -0.60 0.00 0.00 54.58 52.73 3hbl n ASN 44 Cb 0.29 1.84 -0.06 0.00 -0.53 0.00 0.00 39.78 41.32 3hbl n ASN 44 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 3hbl n ARG 45 N -0.41 0.36 0.00 1.20 1.85 -1.26 -4.59 116.66 113.81 3hbl n ARG 45 Ca -0.02 -2.80 0.00 0.00 -1.00 0.00 0.00 57.85 54.03 3hbl n ARG 45 Cb 0.35 2.32 0.00 0.00 -1.05 0.00 0.00 32.46 34.09 3hbl n ARG 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hbl n GLY 46 N -0.54 0.57 0.37 2.89 0.00 -1.26 -3.34 105.19 103.89 3hbl n GLY 46 Ca 0.06 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.36 3hbl n GLY 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hbl h GLU 47 N 0.00 0.67 -0.21 1.61 -0.00 -1.83 -2.43 114.58 112.38 3hbl h GLU 47 Ca 0.00 -0.04 -0.13 0.00 -0.00 0.00 0.00 59.36 59.19 3hbl h GLU 47 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 28.75 28.59 3hbl h GLU 47 CO 0.00 0.44 -0.43 0.97 -0.00 0.00 0.00 179.01 179.99 3hbl h ILE 48 N 0.69 1.31 -0.19 -1.06 6.09 -1.90 -0.68 117.51 121.77 3hbl h ILE 48 Ca 0.45 -1.61 -0.03 0.00 -1.37 0.00 0.00 64.86 62.31 3hbl h ILE 48 Cb 0.74 1.61 -0.01 0.00 0.47 0.00 0.00 36.82 39.63 3hbl h ILE 48 CO -0.21 0.50 0.01 0.00 -3.07 0.00 0.00 178.15 175.38 3hbl h ALA 49 N 1.12 0.25 -0.71 0.18 0.00 -1.44 0.05 119.26 118.72 3hbl h ALA 49 Ca 0.03 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hbl h ALA 49 Cb 0.92 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3hbl h ALA 49 CO 0.08 -0.05 0.46 0.82 0.00 0.00 0.00 179.25 180.57 3hbl h ILE 50 N 0.09 1.05 -0.03 0.00 2.04 -1.41 0.19 117.51 119.45 3hbl h ILE 50 Ca 0.05 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3hbl h ILE 50 Cb 0.37 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3hbl h ILE 50 CO 0.01 0.14 0.01 -0.09 0.00 0.00 0.00 178.15 178.22 3hbl h ARG 51 N 0.78 0.04 -0.52 2.37 9.65 -0.65 -2.00 114.38 124.05 3hbl h ARG 51 Ca 0.30 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.12 3hbl h ARG 51 Cb 0.18 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 3hbl h ARG 51 CO -0.09 0.25 0.16 0.82 2.80 0.00 0.00 179.97 183.90 3hbl h ILE 52 N -0.17 1.23 -0.60 1.20 2.04 -0.43 -2.21 117.51 118.56 3hbl h ILE 52 Ca 0.01 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.12 3hbl h ILE 52 Cb 0.22 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3hbl h ILE 52 CO -0.00 0.29 0.35 -0.26 0.00 0.00 0.00 178.15 178.53 3hbl h PHE 53 N 0.71 0.65 -0.11 1.37 0.05 -0.95 0.25 116.94 118.90 3hbl h PHE 53 Ca 0.17 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.96 3hbl h PHE 53 Cb 0.28 -0.20 -0.00 0.00 2.00 0.00 0.00 35.95 38.02 3hbl h PHE 53 CO 0.02 0.34 0.00 0.00 -0.18 0.00 0.00 178.31 178.49 3hbl h ARG 54 N 0.67 0.20 -0.13 1.51 3.08 -1.24 -1.24 114.38 117.23 3hbl h ARG 54 Ca 0.25 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.28 3hbl h ARG 54 Cb 0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 3hbl h ARG 54 CO -0.13 0.44 -0.13 0.00 -1.07 0.00 0.00 179.97 179.08 3hbl h ALA 55 N 0.75 -0.03 -0.98 0.04 0.00 -1.14 -2.32 119.26 115.59 3hbl h ALA 55 Ca 0.03 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3hbl h ALA 55 Cb 0.34 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3hbl h ALA 55 CO 0.01 -0.58 0.63 0.00 0.00 0.00 0.00 179.25 179.31 3hbl h ALA 56 N 0.93 1.34 -0.12 0.00 0.00 -0.41 -2.20 119.26 118.80 3hbl h ALA 56 Ca 0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3hbl h ALA 56 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hbl h ALA 56 CO -0.23 0.45 -0.27 0.00 0.00 0.00 0.00 179.25 179.21 3hbl h ALA 57 N 1.43 1.33 0.00 0.00 0.00 -0.76 -1.25 119.26 120.01 3hbl h ALA 57 Ca 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hbl h ALA 57 Cb 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hbl h ALA 57 CO -0.16 0.46 -0.10 0.93 0.00 0.00 0.00 179.25 180.39 3hbl h GLU 58 N 0.20 0.00 -0.64 0.00 5.08 -0.87 -1.28 114.58 117.07 3hbl h GLU 58 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hbl h GLU 58 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3hbl h GLU 58 CO 0.04 0.10 0.00 1.28 -1.00 0.00 0.00 179.01 179.43 3hbl n LEU 59 N -3.46 4.70 -3.85 1.33 4.77 -0.53 -4.94 117.00 115.01 3hbl n LEU 59 Ca -0.01 -2.38 -0.30 0.00 -0.03 0.00 0.00 56.01 53.29 3hbl n LEU 59 Cb 0.25 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 3hbl n LEU 59 CO 0.29 0.66 0.07 0.47 -1.33 0.00 0.00 177.39 177.54 3hbl n ASP 60 N 0.78 -4.53 -4.64 -1.43 9.92 -0.48 -4.98 116.55 111.19 3hbl n ASP 60 Ca 0.24 -0.74 -0.35 0.00 -0.53 0.00 0.00 54.79 53.41 3hbl n ASP 60 Cb 0.94 -3.64 -0.10 0.00 -0.64 0.00 0.00 41.12 37.68 3hbl n ASP 60 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hbl s ILE 61 N -3.24 4.62 0.63 0.53 1.01 -0.85 -4.98 121.20 118.91 3hbl s ILE 61 Ca 0.63 -0.10 -0.17 0.00 0.00 0.00 0.00 60.65 61.00 3hbl s ILE 61 Cb -0.32 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 3hbl s ILE 61 CO 0.78 0.50 1.18 -0.44 0.00 0.00 0.00 174.94 176.96 3hbl s SER 62 N 0.05 5.03 0.08 3.58 0.01 -0.31 -4.02 113.70 118.12 3hbl s SER 62 Ca 0.04 2.28 0.10 0.00 1.31 0.00 0.00 55.95 59.68 3hbl s SER 62 Cb -0.12 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 3hbl s SER 62 CO 0.01 -1.70 -0.26 0.42 0.41 0.00 0.00 173.24 172.12 3hbl s THR 63 N -1.84 2.23 -0.08 1.44 -4.23 -1.26 -0.71 115.64 111.19 3hbl s THR 63 Ca 0.74 -1.54 -0.00 0.00 -1.18 0.00 0.00 61.69 59.71 3hbl s THR 63 Cb -0.27 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.66 3hbl s THR 63 CO 0.36 0.24 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.95 3hbl s VAL 64 N -0.92 0.75 0.22 2.29 1.01 0.49 -1.59 120.40 122.64 3hbl s VAL 64 Ca 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 3hbl s VAL 64 Cb -0.10 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 3hbl s VAL 64 CO 0.04 0.31 0.47 0.00 0.00 0.00 0.00 175.10 175.92 3hbl s ALA 65 N 1.55 3.70 -0.04 5.51 0.00 0.32 -1.75 121.76 131.05 3hbl s ALA 65 Ca 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.46 3hbl s ALA 65 Cb -0.13 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 3hbl s ALA 65 CO -0.05 0.45 -0.21 0.96 0.00 0.00 0.00 175.76 176.91 3hbl s ILE 66 N -1.88 1.70 0.06 0.00 -4.36 -1.25 -2.39 121.20 113.09 3hbl s ILE 66 Ca 0.43 -0.89 0.01 0.00 -0.26 0.00 0.00 60.65 59.94 3hbl s ILE 66 Cb -0.11 -1.44 -0.03 0.00 1.25 0.00 0.00 42.46 42.13 3hbl s ILE 66 CO 0.27 0.48 -0.06 -0.72 0.24 0.00 0.00 174.94 175.15 3hbl s TYR 67 N -0.22 0.68 0.48 1.37 1.13 -1.00 -4.79 117.35 114.99 3hbl s TYR 67 Ca 0.01 -0.80 0.07 0.00 -1.41 0.00 0.00 57.07 54.95 3hbl s TYR 67 Cb -0.11 -0.42 0.03 0.00 -1.10 0.00 0.00 41.96 40.36 3hbl s TYR 67 CO 0.01 -0.19 0.65 -1.54 -2.51 0.00 0.00 175.55 171.98 3hbl s SER 68 N -2.45 5.45 0.25 -0.18 1.04 -1.26 -1.64 113.70 114.91 3hbl s SER 68 Ca 0.02 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 3hbl s SER 68 Cb 0.00 -0.45 0.44 0.00 0.10 0.00 0.00 66.02 66.11 3hbl s SER 68 CO -0.04 -0.97 1.80 0.78 0.98 0.00 0.00 173.24 175.79 3hbl h ASN 69 N 0.44 0.63 0.11 7.02 4.21 -1.87 -1.30 115.58 124.82 3hbl h ASN 69 Ca -0.38 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.19 3hbl h ASN 69 Cb 1.28 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 3hbl h ASN 69 CO 0.45 0.34 -0.05 -1.84 -1.29 0.00 0.00 177.43 175.03 3hbl n GLU 70 N -4.78 1.16 -0.61 0.81 0.00 -1.26 -2.87 120.64 113.09 3hbl n GLU 70 Ca 0.15 -0.47 0.06 0.00 0.00 0.00 0.00 57.16 56.90 3hbl n GLU 70 Cb 0.32 -1.49 0.29 0.00 0.00 0.00 0.00 31.44 30.56 3hbl n GLU 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hbl n ASP 71 N -0.51 4.27 0.26 -1.84 8.00 -0.51 -4.70 116.55 121.52 3hbl n ASP 71 Ca 0.19 -3.07 0.17 0.00 0.71 0.00 0.00 54.79 52.78 3hbl n ASP 71 Cb 0.27 -0.60 0.90 0.00 -0.02 0.00 0.00 41.12 41.67 3hbl n ASP 71 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3hbl h LYS 72 N 2.27 0.00 0.00 -1.24 1.79 -1.37 -2.25 116.57 115.78 3hbl h LYS 72 Ca 0.04 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 3hbl h LYS 72 Cb 1.65 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.23 3hbl h LYS 72 CO 0.33 0.00 -0.45 -1.13 -1.08 0.00 0.00 179.45 177.12 3hbl n SER 73 N -3.74 1.61 -4.73 0.86 3.41 -1.26 -5.01 113.62 104.75 3hbl n SER 73 Ca -0.01 -3.19 -0.41 0.00 -0.26 0.00 0.00 58.87 54.99 3hbl n SER 73 Cb 0.20 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 3hbl n SER 73 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hbl s SER 74 N -2.73 7.02 0.41 4.04 0.15 -0.85 -4.93 113.70 116.81 3hbl s SER 74 Ca 0.32 2.25 0.14 0.00 0.70 0.00 0.00 55.95 59.36 3hbl s SER 74 Cb 0.31 -2.60 0.98 0.00 -1.71 0.00 0.00 66.02 63.00 3hbl s SER 74 CO -0.05 -0.44 1.91 -0.07 1.20 0.00 0.00 173.24 175.79 3hbl h LEU 75 N 5.59 0.46 -2.14 3.45 3.38 -1.90 -1.45 115.31 122.69 3hbl h LEU 75 Ca -0.44 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3hbl h LEU 75 Cb 1.21 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 3hbl h LEU 75 CO 0.77 0.24 -0.05 1.12 0.09 0.00 0.00 178.44 180.62 3hbl h HIS 76 N 0.49 0.00 -0.77 1.13 2.07 -1.91 -1.86 115.15 114.29 3hbl h HIS 76 Ca 0.38 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.85 3hbl h HIS 76 Cb 0.77 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.72 3hbl h HIS 76 CO -0.00 0.05 0.31 -0.09 -3.07 0.00 0.00 177.93 175.12 3hbl h ARG 77 N 0.00 1.15 -0.01 5.12 2.43 -1.58 -2.88 114.38 118.61 3hbl h ARG 77 Ca -0.00 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3hbl h ARG 77 Cb 0.10 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3hbl h ARG 77 CO 0.01 0.93 -0.12 0.66 -1.51 0.00 0.00 179.97 179.94 3hbl n TYR 78 N -4.28 0.00 1.06 2.20 0.53 -0.72 -4.18 117.16 111.77 3hbl n TYR 78 Ca 0.07 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 57.06 3hbl n TYR 78 Cb 0.19 -0.04 0.12 0.00 -1.03 0.00 0.00 39.34 38.58 3hbl n TYR 78 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 3hbl n LYS 79 N -0.01 0.49 -3.38 -0.72 3.00 -1.06 -4.92 118.16 111.55 3hbl n LYS 79 Ca 0.16 -0.35 -0.19 0.00 -0.00 0.00 0.00 58.31 57.92 3hbl n LYS 79 Cb 0.38 -1.49 -0.01 0.00 0.00 0.00 0.00 35.03 33.91 3hbl n LYS 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hbl s ALA 80 N -2.76 4.24 0.30 3.14 0.00 -1.25 -4.91 121.76 120.52 3hbl s ALA 80 Ca 0.15 -1.68 0.20 0.00 0.00 0.00 0.00 51.96 50.63 3hbl s ALA 80 Cb 0.18 -1.40 0.96 0.00 0.00 0.00 0.00 23.12 22.85 3hbl s ALA 80 CO 0.67 -0.17 1.88 -0.44 0.00 0.00 0.00 175.76 177.70 3hbl h ASP 81 N 0.89 0.00 -4.54 0.00 3.45 -1.87 -3.45 116.42 110.90 3hbl h ASP 81 Ca -0.42 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 56.90 3hbl h ASP 81 Cb 1.27 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.82 3hbl h ASP 81 CO 0.52 0.28 -0.38 -1.61 -1.57 0.00 0.00 179.24 176.48 3hbl s GLU 82 N -3.96 0.49 -0.00 3.56 2.02 -0.62 -4.97 118.70 115.21 3hbl s GLU 82 Ca -0.02 -0.03 -0.01 0.00 0.02 0.00 0.00 54.97 54.93 3hbl s GLU 82 Cb 0.13 0.22 -0.00 0.00 0.10 0.00 0.00 34.13 34.57 3hbl s GLU 82 CO 0.66 -0.11 0.02 -1.54 0.02 0.00 0.00 175.26 174.31 3hbl s SER 83 N -0.78 0.05 0.01 -0.19 1.04 -1.26 0.12 113.70 112.68 3hbl s SER 83 Ca -0.09 -0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.25 3hbl s SER 83 Cb -0.05 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 3hbl s SER 83 CO 0.02 -0.12 -0.09 -0.31 0.98 0.00 0.00 173.24 173.72 3hbl s TYR 84 N -0.51 0.76 -0.59 5.02 1.51 -1.00 -4.95 117.35 117.58 3hbl s TYR 84 Ca -0.06 -0.21 -0.27 0.00 -1.01 0.00 0.00 57.07 55.52 3hbl s TYR 84 Cb -0.04 -0.48 -0.00 0.00 -0.11 0.00 0.00 41.96 41.34 3hbl s TYR 84 CO -0.00 -0.02 1.60 -1.17 -1.11 0.00 0.00 175.55 174.86 3hbl s LEU 85 N -0.49 3.33 -0.18 -1.29 2.96 -1.26 -2.38 118.68 119.36 3hbl s LEU 85 Ca 0.01 0.28 -0.29 0.00 -0.22 0.00 0.00 54.13 53.91 3hbl s LEU 85 Cb -0.05 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.82 3hbl s LEU 85 CO -0.00 -1.99 1.22 -0.69 -1.32 0.00 0.00 176.35 173.57 3hbl s VAL 86 N 7.26 4.36 -0.02 1.68 1.01 -0.65 -4.53 120.40 129.51 3hbl s VAL 86 Ca 0.58 1.65 -0.01 0.00 0.00 0.00 0.00 61.98 64.19 3hbl s VAL 86 Cb -0.12 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3hbl s VAL 86 CO 0.22 -0.15 0.03 0.61 0.00 0.00 0.00 175.10 175.81 3hbl n GLY 87 N 3.56 -3.41 0.37 4.51 0.00 -1.26 -4.65 105.19 104.32 3hbl n GLY 87 Ca 0.14 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3hbl n GLY 87 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3hbl h SER 88 N 0.82 -1.12 -0.33 1.61 0.87 -2.00 -3.22 113.55 110.18 3hbl h SER 88 Ca -0.06 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3hbl h SER 88 Cb 0.13 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3hbl h SER 88 CO 0.00 -0.42 0.00 -0.90 -0.53 0.00 0.00 176.83 174.98 3hbl n ASP 89 N -5.43 2.87 -4.57 6.23 3.85 -1.26 -4.99 116.55 113.25 3hbl n ASP 89 Ca -0.05 -1.98 -0.37 0.00 -0.71 0.00 0.00 54.79 51.68 3hbl n ASP 89 Cb 0.35 -0.22 0.07 0.00 -1.35 0.00 0.00 41.12 39.97 3hbl n ASP 89 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3hbl n LEU 90 N 0.50 2.78 0.00 -2.12 4.77 -1.22 -5.04 117.00 116.67 3hbl n LEU 90 Ca 0.11 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 3hbl n LEU 90 Cb 0.42 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 3hbl n LEU 90 CO 0.08 -2.30 0.00 0.61 -1.33 0.00 0.00 177.39 174.44 3hbl n GLY 91 N 1.36 0.88 0.00 -0.72 0.00 -1.26 -4.85 105.19 100.59 3hbl n GLY 91 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3hbl n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hbl n PRO 92 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -4.59 135.00 130.72 3hbl n PRO 92 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 3hbl n PRO 92 Cb 0.00 0.00 0.44 0.00 -0.04 0.00 0.00 33.50 33.90 3hbl n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hbl n ALA 93 N -3.00 3.01 0.59 0.55 0.00 -1.26 -3.65 120.51 116.75 3hbl n ALA 93 Ca 0.00 -0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.22 3hbl n ALA 93 Cb 0.00 -1.21 0.45 0.00 0.00 0.00 0.00 19.45 18.69 3hbl n ALA 93 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3hbl n GLU 94 N -0.91 0.14 -0.09 0.00 0.28 -1.26 -3.62 120.64 115.17 3hbl n GLU 94 Ca 0.12 0.25 -0.09 0.00 -0.16 0.00 0.00 57.16 57.28 3hbl n GLU 94 Cb 0.32 -1.71 -0.02 0.00 1.43 0.00 0.00 31.44 31.46 3hbl n GLU 94 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 3hbl h SER 95 N 0.00 0.38 -0.20 -1.84 0.02 -1.81 -0.96 113.55 109.14 3hbl h SER 95 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3hbl h SER 95 Cb 0.47 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3hbl h SER 95 CO 0.00 0.35 0.00 -1.22 -1.14 0.00 0.00 176.83 174.82 3hbl n TYR 96 N -4.81 0.26 0.21 3.45 4.02 -1.24 -3.27 117.16 115.79 3hbl n TYR 96 Ca -0.01 -0.13 0.04 0.00 -0.01 0.00 0.00 57.90 57.78 3hbl n TYR 96 Cb 0.07 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.34 3hbl n TYR 96 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hbl n LEU 97 N 0.24 0.21 -4.57 7.72 4.77 -1.00 -4.47 117.00 119.91 3hbl n LEU 97 Ca 0.14 -0.31 -0.32 0.00 -0.03 0.00 0.00 56.01 55.48 3hbl n LEU 97 Cb 0.28 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3hbl n LEU 97 CO 0.11 0.05 1.49 0.21 -1.33 0.00 0.00 177.39 177.92 3hbl s ASN 98 N -2.12 5.63 0.22 -1.43 3.84 -0.40 -4.85 114.94 115.83 3hbl s ASN 98 Ca 0.01 -1.32 -0.15 0.00 0.21 0.00 0.00 52.86 51.62 3hbl s ASN 98 Cb 0.05 -2.57 0.26 0.00 -0.55 0.00 0.00 41.25 38.44 3hbl s ASN 98 CO 0.30 -2.36 1.59 0.40 -2.79 0.00 0.00 177.10 174.25 3hbl h ILE 99 N 6.68 0.20 -0.19 -5.21 2.04 -1.90 -2.47 117.51 116.65 3hbl h ILE 99 Ca 0.19 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.89 3hbl h ILE 99 Cb 0.97 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3hbl h ILE 99 CO 1.29 0.00 -0.57 -0.33 0.00 0.00 0.00 178.15 178.54 3hbl h GLU 100 N -0.05 0.58 -0.23 2.37 4.39 -1.99 -1.68 114.58 117.98 3hbl h GLU 100 Ca 0.33 -0.38 -0.17 0.00 0.34 0.00 0.00 59.36 59.47 3hbl h GLU 100 Cb 0.56 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3hbl h GLU 100 CO -0.77 0.99 -0.56 0.00 -1.16 0.00 0.00 179.01 177.51 3hbl h ARG 101 N 0.44 0.70 0.62 2.33 -0.00 -1.93 -1.59 114.38 114.95 3hbl h ARG 101 Ca 0.00 -0.45 -0.03 0.00 -0.50 0.00 0.00 59.98 59.01 3hbl h ARG 101 Cb 1.13 0.05 -0.00 0.00 0.00 0.00 0.00 29.97 31.15 3hbl h ARG 101 CO 0.11 1.07 -0.36 0.82 0.00 0.00 0.00 179.97 181.60 3hbl h ILE 102 N 0.53 0.26 -0.90 2.04 2.04 -1.37 -0.49 117.51 119.62 3hbl h ILE 102 Ca 0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 3hbl h ILE 102 Cb 1.13 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 3hbl h ILE 102 CO 0.11 0.00 0.58 0.40 0.00 0.00 0.00 178.15 179.24 3hbl h ILE 103 N -0.92 0.97 -0.16 -0.67 2.04 -1.34 0.14 117.51 117.58 3hbl h ILE 103 Ca -0.08 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3hbl h ILE 103 Cb 0.74 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3hbl h ILE 103 CO 0.09 0.16 0.10 0.44 0.00 0.00 0.00 178.15 178.94 3hbl h ASP 104 N 0.90 0.18 -0.82 1.72 5.19 -1.09 0.18 116.42 122.69 3hbl h ASP 104 Ca 0.42 -0.03 0.06 0.00 -0.62 0.00 0.00 57.03 56.86 3hbl h ASP 104 Cb 0.40 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 39.81 3hbl h ASP 104 CO -0.18 0.16 0.53 0.58 -3.12 0.00 0.00 179.24 177.21 3hbl h VAL 105 N 0.19 1.05 -0.41 -1.35 2.07 0.66 -0.73 116.25 117.72 3hbl h VAL 105 Ca 0.06 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 3hbl h VAL 105 Cb 0.00 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3hbl h VAL 105 CO -0.01 0.16 -0.20 0.00 0.02 0.00 0.00 177.57 177.54 3hbl h ALA 106 N 1.56 0.58 -0.06 1.67 0.00 -0.43 -2.70 119.26 119.87 3hbl h ALA 106 Ca 0.35 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hbl h ALA 106 Cb 0.23 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hbl h ALA 106 CO -0.12 0.54 0.02 0.87 0.00 0.00 0.00 179.25 180.56 3hbl h LYS 107 N 0.67 0.09 -0.27 0.00 1.79 0.17 -1.30 116.57 117.72 3hbl h LYS 107 Ca 0.09 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.46 3hbl h LYS 107 Cb 0.76 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 3hbl h LYS 107 CO 0.06 0.23 -0.19 1.96 -1.08 0.00 0.00 179.45 180.43 3hbl h GLN 108 N -0.06 0.48 -0.04 3.15 1.08 -1.21 -2.87 115.11 115.64 3hbl h GLN 108 Ca 0.02 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3hbl h GLN 108 Cb 0.17 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3hbl h GLN 108 CO -0.00 0.65 0.00 0.00 -0.95 0.00 0.00 178.83 178.53 3hbl n ALA 109 N -2.48 2.56 -3.16 3.87 0.00 -1.02 -4.96 120.51 115.31 3hbl n ALA 109 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 53.44 52.83 3hbl n ALA 109 Cb 0.36 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 18.74 3hbl n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hbl n ASN 110 N 0.24 -6.16 -4.74 0.00 3.02 -1.05 -5.01 115.26 101.57 3hbl n ASN 110 Ca 0.18 -0.67 -0.39 0.00 -0.03 0.00 0.00 54.58 53.68 3hbl n ASN 110 Cb 0.36 -4.95 -0.05 0.00 -0.61 0.00 0.00 39.78 34.53 3hbl n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hbl s VAL 111 N -3.37 5.05 -0.07 2.41 1.01 -0.52 -4.70 120.40 120.21 3hbl s VAL 111 Ca 0.41 1.20 -0.11 0.00 0.00 0.00 0.00 61.98 63.47 3hbl s VAL 111 Cb -0.05 -3.92 -0.30 0.00 0.00 0.00 0.00 36.38 32.11 3hbl s VAL 111 CO 0.70 0.34 0.62 0.44 0.00 0.00 0.00 175.10 177.19 3hbl h ASP 112 N 6.32 0.57 -4.18 3.32 3.32 -1.40 -3.44 116.42 120.93 3hbl h ASP 112 Ca -0.43 -0.93 -0.24 0.00 0.02 0.00 0.00 57.03 55.45 3hbl h ASP 112 Cb 1.19 -0.18 -0.26 0.00 0.22 0.00 0.00 39.33 40.30 3hbl h ASP 112 CO 0.73 1.78 -0.73 0.00 -1.72 0.00 0.00 179.24 179.30 3hbl s ALA 113 N -2.56 0.20 -0.18 3.45 0.00 -1.09 0.35 121.76 121.92 3hbl s ALA 113 Ca -0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 3hbl s ALA 113 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3hbl s ALA 113 CO 0.83 -0.01 -0.13 0.42 0.00 0.00 0.00 175.76 176.87 3hbl s ILE 114 N -0.53 2.73 -0.22 0.00 1.01 -0.44 -1.23 121.20 122.51 3hbl s ILE 114 Ca -0.04 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 3hbl s ILE 114 Cb -0.04 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3hbl s ILE 114 CO -0.00 0.49 0.39 -2.28 0.00 0.00 0.00 174.94 173.54 3hbl s HIS 115 N 1.12 3.33 -2.44 3.97 2.46 -0.31 -1.43 115.29 121.99 3hbl s HIS 115 Ca 0.01 0.55 0.24 0.00 0.47 0.00 0.00 55.06 56.32 3hbl s HIS 115 Cb -0.14 -2.54 0.80 0.00 -0.13 0.00 0.00 32.58 30.57 3hbl s HIS 115 CO -0.04 -0.08 1.59 -0.35 -2.47 0.00 0.00 174.74 173.39 3hbl n PRO 116 N 4.76 1.81 0.00 2.88 -0.04 -1.26 -1.40 135.00 141.75 3hbl n PRO 116 Ca -0.08 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 3hbl n PRO 116 Cb 0.51 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3hbl n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hbl n GLY 117 N 1.20 3.04 3.23 0.55 0.00 -1.26 -4.32 105.19 107.62 3hbl n GLY 117 Ca 0.17 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 3hbl n GLY 117 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hbl s TYR 118 N 0.00 1.20 -1.09 1.61 -0.85 -1.26 -4.24 117.35 112.72 3hbl s TYR 118 Ca 0.00 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 3hbl s TYR 118 Cb 0.00 -0.62 0.00 0.00 0.38 0.00 0.00 41.96 41.72 3hbl s TYR 118 CO 0.00 0.05 0.00 0.41 -1.52 0.00 0.00 175.55 174.49 3hbl n GLY 119 N -0.01 0.49 0.00 5.49 0.00 -1.26 -4.86 105.19 105.04 3hbl n GLY 119 Ca -0.12 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3hbl n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hbl n PHE 120 N -3.43 0.00 -0.80 1.61 3.72 -1.26 -4.93 117.46 112.37 3hbl n PHE 120 Ca -0.13 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.35 3hbl n PHE 120 Cb 0.51 0.00 0.32 0.00 -0.94 0.00 0.00 39.48 39.37 3hbl n PHE 120 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hbl n LEU 121 N 0.00 4.62 -0.11 4.37 4.77 -1.26 -4.61 117.00 124.78 3hbl n LEU 121 Ca 0.00 -2.75 -0.06 0.00 -0.03 0.00 0.00 56.01 53.16 3hbl n LEU 121 Cb 0.00 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.54 3hbl n LEU 121 CO 0.00 0.70 0.95 0.28 -1.33 0.00 0.00 177.39 177.99 3hbl h SER 122 N 3.10 0.17 -1.88 -1.43 0.02 -1.87 -2.92 113.55 108.73 3hbl h SER 122 Ca 0.00 0.04 -0.67 0.00 -0.84 0.00 0.00 61.79 60.32 3hbl h SER 122 Cb 1.55 0.01 -0.36 0.00 0.14 0.00 0.00 62.40 63.75 3hbl h SER 122 CO 0.29 0.13 0.03 -0.62 -1.14 0.00 0.00 176.83 175.52 3hbl n GLU 123 N -5.00 3.45 -3.98 3.45 1.02 -1.26 -4.87 120.64 113.45 3hbl n GLU 123 Ca 0.01 -4.31 -0.31 0.00 -0.02 0.00 0.00 57.16 52.54 3hbl n GLU 123 Cb 0.12 -2.28 -0.15 0.00 -0.02 0.00 0.00 31.44 29.11 3hbl n GLU 123 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3hbl s ASN 124 N -2.54 4.51 0.23 1.62 3.84 -1.11 -5.00 114.94 116.49 3hbl s ASN 124 Ca 0.48 -1.85 -0.08 0.00 0.21 0.00 0.00 52.86 51.63 3hbl s ASN 124 Cb 0.36 -1.46 0.22 0.00 -0.55 0.00 0.00 41.25 39.82 3hbl s ASN 124 CO -0.24 -0.34 1.91 -0.08 -2.79 0.00 0.00 177.10 175.56 3hbl h GLU 125 N 7.74 1.19 0.38 0.43 4.81 -1.90 -1.96 114.58 125.27 3hbl h GLU 125 Ca -0.09 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3hbl h GLU 125 Cb 1.03 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3hbl h GLU 125 CO 0.49 0.79 -0.36 0.37 -0.73 0.00 0.00 179.01 179.57 3hbl h GLN 126 N 1.23 -0.73 -0.97 1.92 4.15 -1.98 0.13 115.11 118.86 3hbl h GLN 126 Ca 0.33 0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.92 3hbl h GLN 126 Cb -0.13 0.17 -0.09 0.00 0.21 0.00 0.00 27.48 27.64 3hbl h GLN 126 CO -0.07 -0.49 0.59 0.35 -1.93 0.00 0.00 178.83 177.28 3hbl h PHE 127 N -0.76 1.07 -0.86 3.99 3.57 -1.87 -0.14 116.94 121.93 3hbl h PHE 127 Ca -0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3hbl h PHE 127 Cb 0.68 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3hbl h PHE 127 CO -0.20 0.41 0.45 0.00 -2.23 0.00 0.00 178.31 176.74 3hbl h ALA 128 N 1.53 1.18 0.52 2.41 0.00 -0.81 -1.68 119.26 122.41 3hbl h ALA 128 Ca 0.49 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3hbl h ALA 128 Cb 0.51 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hbl h ALA 128 CO -0.28 0.65 -0.25 -0.09 0.00 0.00 0.00 179.25 179.29 3hbl h ARG 129 N 1.21 -0.67 -0.20 0.00 2.43 0.63 -2.85 114.38 114.93 3hbl h ARG 129 Ca 0.30 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.58 3hbl h ARG 129 Cb 0.06 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3hbl h ARG 129 CO -0.05 -0.36 0.27 0.00 -1.51 0.00 0.00 179.97 178.33 3hbl h ARG 130 N -0.98 0.00 0.09 0.20 2.47 -1.04 0.42 114.38 115.54 3hbl h ARG 130 Ca -0.07 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3hbl h ARG 130 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3hbl h ARG 130 CO 0.12 0.00 -0.04 0.00 0.56 0.00 0.00 179.97 180.60 3hbl h ALA 132 N 0.29 -0.59 -0.61 0.00 0.00 -0.75 0.44 119.26 118.05 3hbl h ALA 132 Ca -0.01 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 54.96 3hbl h ALA 132 Cb 0.47 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3hbl h ALA 132 CO 0.02 -0.84 0.51 0.93 0.00 0.00 0.00 179.25 179.87 3hbl h GLU 133 N -0.59 0.00 -0.12 0.00 5.08 -1.24 0.26 114.58 117.97 3hbl h GLU 133 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hbl h GLU 133 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3hbl h GLU 133 CO 0.03 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.43 3hbl n GLU 134 N -4.02 2.11 -1.35 2.33 -0.58 -1.06 -4.97 120.64 113.09 3hbl n GLU 134 Ca 0.12 -1.90 0.00 0.00 -0.42 0.00 0.00 57.16 54.96 3hbl n GLU 134 Cb 0.75 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 3hbl n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hbl n GLY 135 N 1.25 0.48 3.42 0.62 0.00 0.93 -5.05 105.19 106.84 3hbl n GLY 135 Ca 0.14 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 3hbl n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 136 N -2.00 4.00 -0.20 -0.61 1.09 0.15 -4.87 121.20 118.76 3hbl s ILE 136 Ca 0.00 -0.28 -0.29 0.00 -1.10 0.00 0.00 60.65 58.98 3hbl s ILE 136 Cb 0.00 -2.84 -0.03 0.00 -1.06 0.00 0.00 42.46 38.53 3hbl s ILE 136 CO 0.00 0.39 1.56 -0.75 -0.10 0.00 0.00 174.94 176.04 3hbl s LYS 137 N 1.38 3.90 -0.20 2.79 2.36 0.15 -3.43 119.74 126.68 3hbl s LYS 137 Ca 0.05 1.70 -0.29 0.00 -2.55 0.00 0.00 55.97 54.87 3hbl s LYS 137 Cb -0.15 -3.99 -0.01 0.00 -1.05 0.00 0.00 37.83 32.63 3hbl s LYS 137 CO 0.01 -1.17 1.33 0.12 1.55 0.00 0.00 175.35 177.20 3hbl s PHE 138 N 4.82 2.67 -0.75 4.03 2.19 -1.26 -1.33 117.98 128.35 3hbl s PHE 138 Ca 0.69 0.87 -0.27 0.00 0.33 0.00 0.00 56.93 58.55 3hbl s PHE 138 Cb -0.25 -3.70 0.02 0.00 -1.31 0.00 0.00 43.02 37.79 3hbl s PHE 138 CO 0.27 -1.96 1.38 0.42 1.83 0.00 0.00 175.22 177.16 3hbl s ILE 139 N 3.96 3.68 -5.00 3.12 1.01 -0.51 -4.76 121.20 122.70 3hbl s ILE 139 Ca 0.58 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.51 3hbl s ILE 139 Cb -0.21 -4.79 0.00 0.00 0.01 0.00 0.00 42.46 37.47 3hbl s ILE 139 CO 0.19 -1.73 0.00 0.61 0.00 0.00 0.00 174.94 174.01 3hbl n GLY 140 N 5.55 -0.47 3.93 6.18 0.00 -1.26 -4.48 105.19 114.64 3hbl n GLY 140 Ca 0.08 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 3hbl n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hbl s PRO 141 N -2.00 1.40 0.91 1.61 0.04 -1.22 -4.60 135.00 131.13 3hbl s PRO 141 Ca 0.00 -0.29 -0.12 0.00 0.04 0.00 0.00 61.00 60.63 3hbl s PRO 141 Cb 0.00 -1.98 0.14 0.00 0.04 0.00 0.00 34.50 32.70 3hbl s PRO 141 CO 0.00 -1.88 1.11 -1.01 0.04 0.00 0.00 177.00 175.26 3hbl s HIS 142 N -3.62 2.44 0.21 0.56 3.76 -1.26 -4.84 115.29 112.53 3hbl s HIS 142 Ca 0.67 0.99 -0.12 0.00 -0.15 0.00 0.00 55.06 56.46 3hbl s HIS 142 Cb -0.07 -3.28 0.26 0.00 1.11 0.00 0.00 32.58 30.60 3hbl s HIS 142 CO 0.50 -2.41 1.67 -0.07 -0.85 0.00 0.00 174.74 173.58 3hbl h LEU 143 N -1.54 -0.27 -0.52 0.89 4.07 -1.96 -0.72 115.31 115.26 3hbl h LEU 143 Ca -0.51 0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.60 3hbl h LEU 143 Cb 1.31 0.26 0.00 0.00 1.08 0.00 0.00 40.66 43.31 3hbl h LEU 143 CO 0.59 -0.11 0.00 -1.84 -1.08 0.00 0.00 178.44 176.01 3hbl n GLU 144 N -5.27 0.16 -0.02 1.13 0.00 -1.26 -2.39 120.64 112.99 3hbl n GLU 144 Ca 0.08 0.37 -0.16 0.00 0.00 0.00 0.00 57.16 57.45 3hbl n GLU 144 Cb 0.33 -1.80 -0.12 0.00 0.00 0.00 0.00 31.44 29.85 3hbl n GLU 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3hbl h HIS 145 N 0.00 0.28 0.00 -1.84 3.86 -1.48 -3.03 115.15 112.94 3hbl h HIS 145 Ca 0.00 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.02 3hbl h HIS 145 Cb 0.37 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 3hbl h HIS 145 CO 0.00 1.01 -0.11 -0.07 0.86 0.00 0.00 177.93 179.62 3hbl h LEU 146 N -0.53 0.00 0.21 2.43 3.38 -1.34 -3.02 115.31 116.44 3hbl h LEU 146 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3hbl h LEU 146 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hbl h LEU 146 CO 0.06 0.11 -0.10 -0.78 0.09 0.00 0.00 178.44 177.82 3hbl h ASP 147 N 0.00 -0.23 -0.59 -0.43 1.82 -1.53 -1.76 116.42 113.71 3hbl h ASP 147 Ca -0.00 -0.29 0.12 0.00 -0.39 0.00 0.00 57.03 56.46 3hbl h ASP 147 Cb 0.35 0.06 -0.10 0.00 0.68 0.00 0.00 39.33 40.33 3hbl h ASP 147 CO 0.01 0.26 0.02 0.24 -1.61 0.00 0.00 179.24 178.17 3hbl h MET 148 N -0.83 0.14 -0.02 0.28 2.86 -1.47 -3.04 114.93 112.84 3hbl h MET 148 Ca -0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3hbl h MET 148 Cb 0.52 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3hbl h MET 148 CO 0.05 0.09 -0.36 1.19 1.06 0.00 0.00 176.91 178.94 3hbl n PHE 149 N -5.24 0.00 0.14 -0.22 0.99 -1.15 -2.32 117.46 109.66 3hbl n PHE 149 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.54 3hbl n PHE 149 Cb 0.33 -0.01 0.15 0.00 -1.00 0.00 0.00 39.48 38.95 3hbl n PHE 149 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3hbl h GLY 150 N 4.82 0.00 -7.65 1.37 0.00 -1.19 -3.43 103.07 96.99 3hbl h GLY 150 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3hbl h GLY 150 CO 0.00 0.00 -0.69 -0.35 0.00 0.00 0.00 176.54 175.50 3hbl s ASP 151 N -6.64 4.91 0.66 0.19 2.15 -1.25 -4.99 116.67 111.71 3hbl s ASP 151 Ca 0.00 -1.17 0.14 0.00 0.43 0.00 0.00 52.55 51.95 3hbl s ASP 151 Cb 0.11 -1.74 0.74 0.00 -0.30 0.00 0.00 42.92 41.73 3hbl s ASP 151 CO 0.75 -0.25 1.42 0.50 -0.17 0.00 0.00 175.17 177.41 3hbl h LYS 152 N 8.05 0.00 0.10 4.34 3.64 -1.88 0.11 116.57 130.94 3hbl h LYS 152 Ca -0.23 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.80 3hbl h LYS 152 Cb 1.07 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 3hbl h LYS 152 CO 0.55 0.00 -1.89 0.28 -2.27 0.00 0.00 179.45 176.13 3hbl h VAL 153 N 0.00 0.73 -0.06 2.00 2.07 -1.94 -3.39 116.25 115.66 3hbl h VAL 153 Ca 0.00 -2.46 -0.16 0.00 0.82 0.00 0.00 66.70 64.90 3hbl h VAL 153 Cb 1.40 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.69 3hbl h VAL 153 CO -0.00 0.81 -0.68 0.11 0.02 0.00 0.00 177.57 177.82 3hbl h LYS 154 N 0.06 0.27 -0.33 1.57 1.57 -1.03 -3.27 116.57 115.41 3hbl h LYS 154 Ca -0.38 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.17 3hbl h LYS 154 Cb 2.03 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.37 3hbl h LYS 154 CO 0.10 0.85 0.10 0.00 -0.57 0.00 0.00 179.45 179.92 3hbl h ALA 155 N 1.09 1.56 -0.39 3.86 0.00 -1.03 -2.78 119.26 121.58 3hbl h ALA 155 Ca -0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3hbl h ALA 155 Cb 1.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3hbl h ALA 155 CO 0.11 0.34 -0.08 0.00 0.00 0.00 0.00 179.25 179.62 3hbl h ARG 156 N 0.46 0.66 -0.57 0.00 3.08 -1.75 -1.25 114.38 115.01 3hbl h ARG 156 Ca 0.11 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3hbl h ARG 156 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3hbl h ARG 156 CO -0.01 0.73 0.16 1.15 -1.07 0.00 0.00 179.97 180.94 3hbl h THR 157 N 0.61 1.24 -0.66 2.04 2.02 -1.65 -1.13 112.91 115.38 3hbl h THR 157 Ca 0.11 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 3hbl h THR 157 Cb 0.49 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3hbl h THR 157 CO 0.03 0.31 0.10 0.74 0.37 0.00 0.00 175.52 177.07 3hbl h THR 158 N 0.81 1.26 -0.53 3.16 2.02 -1.47 -1.94 112.91 116.23 3hbl h THR 158 Ca 0.18 -1.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 3hbl h THR 158 Cb 0.31 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3hbl h THR 158 CO -0.00 0.39 -0.02 0.00 0.37 0.00 0.00 175.52 176.25 3hbl h ALA 159 N 1.04 0.97 0.00 6.16 0.00 -0.97 -2.99 119.26 123.47 3hbl h ALA 159 Ca 0.20 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3hbl h ALA 159 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hbl h ALA 159 CO 0.01 0.62 -0.49 0.97 0.00 0.00 0.00 179.25 180.37 3hbl h ILE 160 N 0.84 0.45 0.00 0.00 6.09 -1.13 -1.96 117.51 121.80 3hbl h ILE 160 Ca 0.15 -1.67 -0.07 0.00 -1.37 0.00 0.00 64.86 61.91 3hbl h ILE 160 Cb 0.53 2.15 -0.01 0.00 0.47 0.00 0.00 36.82 39.96 3hbl h ILE 160 CO 0.03 0.26 -0.32 0.11 -3.07 0.00 0.00 178.15 175.16 3hbl h LYS 161 N 0.00 0.00 -0.66 2.19 6.56 -1.26 -2.91 116.57 120.49 3hbl h LYS 161 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 3hbl h LYS 161 Cb 1.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 3hbl h LYS 161 CO 0.04 0.32 0.00 0.00 -2.06 0.00 0.00 179.45 177.75 3hbl n ALA 162 N -2.30 2.45 -3.26 3.86 0.00 -1.14 -5.00 120.51 115.12 3hbl n ALA 162 Ca -0.01 -1.34 -0.13 0.00 0.00 0.00 0.00 53.44 51.97 3hbl n ALA 162 Cb 0.45 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 19.09 3hbl n ALA 162 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hbl n ASP 163 N 1.39 -6.79 -4.37 0.00 8.00 -1.10 -4.82 116.55 108.86 3hbl n ASP 163 Ca 0.23 -0.57 -0.30 0.00 0.71 0.00 0.00 54.79 54.86 3hbl n ASP 163 Cb 0.64 -4.94 -0.14 0.00 -0.02 0.00 0.00 41.12 36.66 3hbl n ASP 163 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hbl s LEU 164 N -5.10 2.27 0.45 0.64 1.02 -0.75 -5.04 118.68 112.17 3hbl s LEU 164 Ca 0.32 -0.59 -0.24 0.00 0.02 0.00 0.00 54.13 53.63 3hbl s LEU 164 Cb -0.05 -1.32 -0.07 0.00 0.02 0.00 0.00 46.19 44.77 3hbl s LEU 164 CO 0.76 0.25 1.30 -2.84 0.02 0.00 0.00 176.35 175.84 3hbl s PRO 165 N -1.41 3.71 0.31 1.29 0.02 -1.26 -4.57 135.00 133.09 3hbl s PRO 165 Ca 0.13 2.13 0.03 0.00 0.02 0.00 0.00 61.00 63.30 3hbl s PRO 165 Cb -0.10 -2.56 -0.05 0.00 0.02 0.00 0.00 34.50 31.81 3hbl s PRO 165 CO 0.03 -0.70 0.11 0.14 -0.33 0.00 0.00 177.00 176.25 3hbl s VAL 166 N -1.32 0.69 -0.02 3.83 -7.23 -1.26 -0.39 120.40 114.69 3hbl s VAL 166 Ca 0.62 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 3hbl s VAL 166 Cb -0.37 -2.60 -0.07 0.00 0.56 0.00 0.00 36.38 33.90 3hbl s VAL 166 CO 0.47 0.00 1.73 -0.63 -0.31 0.00 0.00 175.10 176.36 3hbl s ILE 167 N -3.50 3.40 -0.04 -0.62 1.01 -1.26 -4.87 121.20 115.32 3hbl s ILE 167 Ca 0.34 0.52 -0.21 0.00 0.00 0.00 0.00 60.65 61.30 3hbl s ILE 167 Cb 0.06 -3.33 -0.15 0.00 0.01 0.00 0.00 42.46 39.06 3hbl s ILE 167 CO 0.15 -0.04 0.88 1.55 0.00 0.00 0.00 174.94 177.48 3hbl h PRO 168 N 9.70 -0.28 0.00 2.79 0.13 -2.01 -3.53 132.00 138.80 3hbl h PRO 168 Ca -0.42 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3hbl h PRO 168 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hbl h PRO 168 CO 0.95 0.09 0.00 -0.89 -0.23 0.00 0.00 178.00 177.92 3hbl n ILE 239 N -4.98 0.00 -3.47 -3.56 2.08 -1.26 -5.32 119.36 102.85 3hbl n ILE 239 Ca -0.08 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 62.96 3hbl n ILE 239 Cb 0.26 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.12 3hbl n ILE 239 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3hbl s ASP 240 N 0.00 6.39 -1.18 4.38 -1.08 -1.26 -4.62 116.67 119.30 3hbl s ASP 240 Ca 0.00 0.53 -0.08 0.00 -0.52 0.00 0.00 52.55 52.48 3hbl s ASP 240 Cb 0.00 -2.07 -0.02 0.00 -1.46 0.00 0.00 42.92 39.37 3hbl s ASP 240 CO 0.00 -0.17 0.81 -3.20 0.52 0.00 0.00 175.17 173.13 3hbl n ASN 241 N -1.06 -3.96 -4.83 -0.34 4.05 -1.26 -4.89 115.26 102.97 3hbl n ASN 241 Ca -0.04 -0.84 -0.37 0.00 0.45 0.00 0.00 54.58 53.79 3hbl n ASN 241 Cb 0.54 -4.24 -0.06 0.00 1.23 0.00 0.00 39.78 37.26 3hbl n ASN 241 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3hbl s PRO 242 N -5.51 4.06 -0.15 1.20 0.04 -1.26 -4.69 135.00 128.70 3hbl s PRO 242 Ca 0.27 0.58 -0.04 0.00 0.04 0.00 0.00 61.00 61.85 3hbl s PRO 242 Cb -0.07 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 3hbl s PRO 242 CO 0.80 0.59 0.01 0.15 0.04 0.00 0.00 177.00 178.58 3hbl s LYS 243 N -1.44 3.60 -0.53 4.56 1.02 -0.23 -1.69 119.74 125.03 3hbl s LYS 243 Ca 0.32 -0.43 -0.18 0.00 0.02 0.00 0.00 55.97 55.70 3hbl s LYS 243 Cb -0.17 -2.99 0.08 0.00 -0.52 0.00 0.00 37.83 34.23 3hbl s LYS 243 CO 0.18 0.37 0.60 -1.58 -0.92 0.00 0.00 175.35 174.00 3hbl s HIS 244 N 0.03 3.09 -0.11 3.18 2.46 -1.26 -0.63 115.29 122.05 3hbl s HIS 244 Ca 0.03 -0.81 0.00 0.00 0.47 0.00 0.00 55.06 54.75 3hbl s HIS 244 Cb -0.13 -3.64 -0.02 0.00 -0.13 0.00 0.00 32.58 28.66 3hbl s HIS 244 CO 0.02 -1.07 -0.12 0.42 -2.47 0.00 0.00 174.74 171.52 3hbl s ILE 245 N 2.37 3.16 -0.03 0.89 -1.09 -1.21 0.30 121.20 125.60 3hbl s ILE 245 Ca 0.11 -0.64 0.06 0.00 -2.23 0.00 0.00 60.65 57.95 3hbl s ILE 245 Cb -0.23 -2.32 -0.01 0.00 -1.58 0.00 0.00 42.46 38.33 3hbl s ILE 245 CO 0.08 0.54 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.52 3hbl s GLU 246 N 0.09 1.77 -0.15 2.79 2.02 -0.53 -0.61 118.70 124.08 3hbl s GLU 246 Ca -0.05 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 3hbl s GLU 246 Cb -0.15 -1.64 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 3hbl s GLU 246 CO 0.04 0.39 -0.07 0.08 0.02 0.00 0.00 175.26 175.72 3hbl s VAL 247 N -0.33 3.55 0.14 2.63 1.01 -0.73 0.14 120.40 126.81 3hbl s VAL 247 Ca 0.04 -0.48 -0.25 0.00 0.00 0.00 0.00 61.98 61.29 3hbl s VAL 247 Cb -0.09 -2.54 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 3hbl s VAL 247 CO 0.00 0.50 0.78 -1.58 0.00 0.00 0.00 175.10 174.81 3hbl s GLN 248 N 0.43 4.56 0.04 2.72 2.00 -0.96 -1.63 119.66 126.82 3hbl s GLN 248 Ca -0.06 1.15 0.02 0.00 -2.00 0.00 0.00 55.36 54.47 3hbl s GLN 248 Cb -0.15 -3.29 -0.02 0.00 0.80 0.00 0.00 33.01 30.35 3hbl s GLN 248 CO 0.04 0.49 -0.08 0.14 -0.50 0.00 0.00 175.29 175.38 3hbl s VAL 249 N -0.84 0.53 -0.02 1.34 -7.23 -0.24 -1.13 120.40 112.79 3hbl s VAL 249 Ca 0.37 -1.05 -0.00 0.00 -1.81 0.00 0.00 61.98 59.49 3hbl s VAL 249 Cb -0.23 -0.59 0.03 0.00 0.56 0.00 0.00 36.38 36.15 3hbl s VAL 249 CO 0.26 -0.37 0.03 -0.63 -0.31 0.00 0.00 175.10 174.08 3hbl s ILE 250 N -1.35 -0.05 0.09 -0.62 1.01 -0.57 -1.32 121.20 118.39 3hbl s ILE 250 Ca -0.10 0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.83 3hbl s ILE 250 Cb -0.10 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 3hbl s ILE 250 CO 0.00 0.10 -0.13 -0.83 0.00 0.00 0.00 174.94 174.08 3hbl s GLY 251 N 1.15 0.94 0.60 6.18 0.00 -1.17 -1.41 107.32 113.61 3hbl s GLY 251 Ca -0.08 -1.13 0.06 0.00 0.00 0.00 0.00 44.72 43.56 3hbl s GLY 251 CO -0.03 -1.18 0.83 0.51 0.00 0.00 0.00 173.10 173.23 3hbl s ASP 252 N -2.11 4.94 0.00 1.64 3.84 -0.59 0.81 116.67 125.20 3hbl s ASP 252 Ca 0.03 -0.61 0.06 0.00 -0.00 0.00 0.00 52.55 52.04 3hbl s ASP 252 Cb -0.07 0.03 0.38 0.00 -1.38 0.00 0.00 42.92 41.89 3hbl s ASP 252 CO 0.02 -1.43 1.02 -0.62 -0.00 0.00 0.00 175.17 174.17 3hbl n GLU 253 N -2.39 0.74 0.00 2.11 1.02 -1.26 -3.46 120.64 117.40 3hbl n GLU 253 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3hbl n GLU 253 Cb 0.61 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 3hbl n GLU 253 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hbl n HIS 254 N -0.64 0.00 -0.05 -0.32 8.25 -1.26 -5.01 115.22 116.19 3hbl n HIS 254 Ca 0.05 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 3hbl n HIS 254 Cb 0.02 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.09 3hbl n HIS 254 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hbl n GLY 255 N -0.42 0.45 3.63 -1.41 0.00 -1.22 -5.05 105.19 101.17 3hbl n GLY 255 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hbl n GLY 255 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hbl s ASN 256 N -2.58 6.80 -0.02 1.61 -0.87 -1.26 -4.95 114.94 113.67 3hbl s ASN 256 Ca 0.00 0.92 0.03 0.00 -1.57 0.00 0.00 52.86 52.25 3hbl s ASN 256 Cb 0.00 -2.45 -0.00 0.00 -0.02 0.00 0.00 41.25 38.78 3hbl s ASN 256 CO 0.00 -0.61 -0.11 -0.63 -2.57 0.00 0.00 177.10 173.18 3hbl s ILE 257 N 3.02 0.87 0.21 0.60 1.01 -1.26 -1.55 121.20 124.10 3hbl s ILE 257 Ca 0.36 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.59 3hbl s ILE 257 Cb -0.14 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.54 3hbl s ILE 257 CO 0.10 0.25 0.01 0.68 0.00 0.00 0.00 174.94 175.98 3hbl s VAL 258 N -0.11 0.83 0.08 2.92 -7.23 -0.50 -4.99 120.40 111.39 3hbl s VAL 258 Ca 0.02 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 3hbl s VAL 258 Cb -0.06 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3hbl s VAL 258 CO -0.00 -0.37 -0.12 -1.38 -0.31 0.00 0.00 175.10 172.92 3hbl s HIS 259 N -3.56 2.71 -0.69 2.82 -3.43 -1.26 -1.51 115.29 110.37 3hbl s HIS 259 Ca 0.27 -0.17 -0.00 0.00 -0.80 0.00 0.00 55.06 54.36 3hbl s HIS 259 Cb 0.06 -1.46 0.40 0.00 -1.43 0.00 0.00 32.58 30.15 3hbl s HIS 259 CO 0.07 0.38 1.81 1.28 -2.00 0.00 0.00 174.74 176.27 3hbl n LEU 260 N 1.03 6.88 0.00 5.38 4.77 -0.28 -4.97 117.00 129.81 3hbl n LEU 260 Ca -0.14 -4.75 0.00 0.00 -0.03 0.00 0.00 56.01 51.08 3hbl n LEU 260 Cb 0.52 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3hbl n LEU 260 CO 0.31 1.80 0.00 0.49 -1.33 0.00 0.00 177.39 178.66 3hbl n PHE 261 N -0.64 -0.16 -4.66 -1.77 3.01 -1.26 -4.71 117.46 107.27 3hbl n PHE 261 Ca 0.53 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.70 3hbl n PHE 261 Cb 0.48 0.11 -0.10 0.00 -0.01 0.00 0.00 39.48 39.96 3hbl n PHE 261 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3hbl s GLU 262 N 0.00 2.02 -0.07 -1.08 4.04 -1.26 -2.28 118.70 120.07 3hbl s GLU 262 Ca 0.00 -2.20 -0.03 0.00 0.04 0.00 0.00 54.97 52.79 3hbl s GLU 262 Cb 0.00 -1.55 0.04 0.00 0.02 0.00 0.00 34.13 32.64 3hbl s GLU 262 CO 0.00 -0.16 0.10 1.03 -1.84 0.00 0.00 175.26 174.38 3hbl s ARG 263 N -3.77 -0.03 -0.06 -4.83 0.52 0.12 -4.47 118.95 106.43 3hbl s ARG 263 Ca 0.25 0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 55.55 3hbl s ARG 263 Cb 0.07 -0.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.93 3hbl s ARG 263 CO 0.13 -0.36 1.34 0.34 0.02 0.00 0.00 175.30 176.76 3hbl s ASP 264 N 2.21 6.91 -0.15 0.23 3.68 0.36 -1.45 116.67 128.46 3hbl s ASP 264 Ca 0.04 1.94 0.15 0.00 2.13 0.00 0.00 52.55 56.81 3hbl s ASP 264 Cb -0.12 -2.55 0.33 0.00 -1.45 0.00 0.00 42.92 39.12 3hbl s ASP 264 CO -0.05 -0.71 1.17 0.00 0.13 0.00 0.00 175.17 175.71 3hbl h SER 266 N 0.46 0.67 -2.06 0.00 0.02 -1.77 -3.41 113.55 107.46 3hbl h SER 266 Ca -0.01 -0.25 -0.51 0.00 -0.84 0.00 0.00 61.79 60.18 3hbl h SER 266 Cb 1.08 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 3hbl h SER 266 CO 0.01 0.91 1.36 -0.69 -1.14 0.00 0.00 176.83 177.27 3hbl s VAL 267 N -4.52 3.36 -0.17 2.27 1.01 -1.25 -3.83 120.40 117.27 3hbl s VAL 267 Ca -0.08 0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 3hbl s VAL 267 Cb 0.13 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.71 3hbl s VAL 267 CO 0.82 -0.79 0.43 0.00 0.00 0.00 0.00 175.10 175.56 3hbl s GLN 268 N 6.92 0.47 -0.04 2.72 -2.07 -1.26 -1.70 119.66 124.70 3hbl s GLN 268 Ca 0.70 0.68 -0.23 0.00 -1.82 0.00 0.00 55.36 54.70 3hbl s GLN 268 Cb -0.14 0.15 -0.25 0.00 -1.09 0.00 0.00 33.01 31.68 3hbl s GLN 268 CO 0.23 -0.10 1.01 0.07 -1.32 0.00 0.00 175.29 175.18 3hbl h ARG 269 N 6.10 0.26 0.00 9.60 0.11 -1.84 -3.43 114.38 125.18 3hbl h ARG 269 Ca -0.31 -0.31 0.00 0.00 0.10 0.00 0.00 59.98 59.47 3hbl h ARG 269 Cb 1.18 0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.36 3hbl h ARG 269 CO 0.25 1.04 0.00 0.54 0.10 0.00 0.00 179.97 181.90 3hbl n ARG 270 N -4.36 0.00 -0.18 0.08 1.74 -1.26 -4.82 116.66 107.86 3hbl n ARG 270 Ca -0.11 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.06 3hbl n ARG 270 Cb 0.61 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 32.23 3hbl n ARG 270 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3hbl n HIS 271 N 0.00 0.48 -3.33 -1.55 -0.00 -1.26 -4.91 115.22 104.64 3hbl n HIS 271 Ca 0.00 -0.36 -0.40 0.00 0.46 0.00 0.00 57.72 57.42 3hbl n HIS 271 Cb 0.00 -0.01 -0.09 0.00 -0.12 0.00 0.00 29.99 29.77 3hbl n HIS 271 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 3hbl s GLN 272 N -1.10 3.80 0.32 1.57 0.74 -1.26 -5.07 119.66 118.67 3hbl s GLN 272 Ca 0.30 -0.09 -0.29 0.00 0.05 0.00 0.00 55.36 55.32 3hbl s GLN 272 Cb 0.16 -3.73 -0.11 0.00 1.10 0.00 0.00 33.01 30.44 3hbl s GLN 272 CO 0.22 -0.45 1.43 0.15 -0.55 0.00 0.00 175.29 176.10 3hbl s LYS 273 N 2.17 4.23 0.05 1.67 1.02 -1.26 -2.72 119.74 124.89 3hbl s LYS 273 Ca 0.16 2.40 -0.03 0.00 0.02 0.00 0.00 55.97 58.52 3hbl s LYS 273 Cb -0.16 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 3hbl s LYS 273 CO 0.11 -0.41 -0.06 0.28 -0.92 0.00 0.00 175.35 174.35 3hbl n VAL 274 N 1.25 1.23 -4.78 3.17 0.31 -0.69 -4.93 118.33 113.89 3hbl n VAL 274 Ca 0.03 0.35 -0.27 0.00 -0.01 0.00 0.00 64.34 64.44 3hbl n VAL 274 Cb 0.40 -1.70 -0.17 0.00 -0.91 0.00 0.00 33.84 31.46 3hbl n VAL 274 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hbl s VAL 275 N -2.12 1.41 0.14 2.52 1.01 -1.01 -4.15 120.40 118.21 3hbl s VAL 275 Ca -0.05 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.36 3hbl s VAL 275 Cb 0.01 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3hbl s VAL 275 CO 0.07 0.42 -0.11 -1.61 0.00 0.00 0.00 175.10 173.87 3hbl s GLU 276 N 0.51 2.03 -0.01 2.72 8.01 -0.89 -3.80 118.70 127.28 3hbl s GLU 276 Ca -0.15 -1.17 0.03 0.00 0.01 0.00 0.00 54.97 53.70 3hbl s GLU 276 Cb -0.16 -2.20 -0.01 0.00 -4.31 0.00 0.00 34.13 27.45 3hbl s GLU 276 CO 0.05 0.47 -0.11 0.08 0.01 0.00 0.00 175.26 175.76 3hbl s VAL 277 N -1.44 0.85 -0.03 2.63 1.01 0.50 -1.93 120.40 122.00 3hbl s VAL 277 Ca 0.22 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 3hbl s VAL 277 Cb -0.10 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.60 3hbl s VAL 277 CO 0.14 0.24 0.04 0.00 0.00 0.00 0.00 175.10 175.52 3hbl s ALA 278 N -0.26 0.10 0.72 5.51 0.00 -0.46 0.14 121.76 127.51 3hbl s ALA 278 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.30 3hbl s ALA 278 Cb -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.72 3hbl s ALA 278 CO -0.00 -0.22 0.00 -0.35 0.00 0.00 0.00 175.76 175.19 3hbl n PRO 279 N 4.49 3.26 -3.14 0.00 -0.04 -1.26 -0.52 135.00 137.79 3hbl n PRO 279 Ca -0.21 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.86 3hbl n PRO 279 Cb 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.90 3hbl n PRO 279 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3hbl s SER 280 N -1.00 7.10 -0.23 3.54 0.01 -1.26 -4.58 113.70 117.27 3hbl s SER 280 Ca 0.00 1.31 -0.10 0.00 1.31 0.00 0.00 55.95 58.46 3hbl s SER 280 Cb 0.00 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 3hbl s SER 280 CO 0.00 0.13 0.15 -0.69 0.41 0.00 0.00 173.24 173.25 3hbl s VAL 281 N -0.47 5.37 0.00 3.43 1.01 -1.26 -4.50 120.40 123.98 3hbl s VAL 281 Ca 0.33 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.50 3hbl s VAL 281 Cb -0.20 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3hbl s VAL 281 CO 0.20 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3hbl n GLY 282 N 4.09 2.77 3.68 4.51 0.00 -1.26 -4.50 105.19 114.49 3hbl n GLY 282 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3hbl n GLY 282 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hbl s LEU 283 N 0.00 4.28 0.63 0.99 2.96 -1.26 -4.98 118.68 121.30 3hbl s LEU 283 Ca 0.00 1.89 -0.18 0.00 -0.22 0.00 0.00 54.13 55.62 3hbl s LEU 283 Cb 0.00 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 3hbl s LEU 283 CO 0.00 -0.66 1.10 -1.54 -1.32 0.00 0.00 176.35 173.93 3hbl n SER 284 N 5.50 1.28 -0.32 3.68 3.41 -1.26 -4.78 113.62 121.13 3hbl n SER 284 Ca 0.12 0.80 0.04 0.00 -0.26 0.00 0.00 58.87 59.57 3hbl n SER 284 Cb 0.45 -1.46 0.19 0.00 -0.26 0.00 0.00 64.21 63.13 3hbl n SER 284 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3hbl h PRO 285 N 0.43 0.89 -0.48 4.33 0.11 -1.99 -1.45 132.00 133.84 3hbl h PRO 285 Ca -0.50 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.48 3hbl h PRO 285 Cb 1.35 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3hbl h PRO 285 CO 0.51 0.59 -0.02 1.79 -0.21 0.00 0.00 178.00 180.67 3hbl h THR 286 N 0.92 1.26 0.29 -1.15 1.35 -2.00 -2.04 112.91 111.54 3hbl h THR 286 Ca 0.43 -1.09 -0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3hbl h THR 286 Cb 0.36 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 3hbl h THR 286 CO -0.24 0.38 -0.24 -0.07 -0.25 0.00 0.00 175.52 175.10 3hbl h LEU 287 N 0.71 -0.63 -0.88 3.87 3.38 -1.89 -2.61 115.31 117.27 3hbl h LEU 287 Ca 0.13 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.29 3hbl h LEU 287 Cb 0.53 0.21 -0.15 0.00 0.09 0.00 0.00 40.66 41.34 3hbl h LEU 287 CO 0.03 -0.36 -0.38 -0.09 0.09 0.00 0.00 178.44 177.73 3hbl h ARG 288 N -0.54 -0.05 -0.35 1.13 2.43 -1.15 -1.98 114.38 113.86 3hbl h ARG 288 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3hbl h ARG 288 Cb 0.48 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3hbl h ARG 288 CO -0.02 -0.03 0.15 0.37 -1.51 0.00 0.00 179.97 178.93 3hbl h GLN 289 N -0.05 0.52 -0.42 0.20 5.75 -1.21 -1.91 115.11 117.99 3hbl h GLN 289 Ca 0.31 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.72 3hbl h GLN 289 Cb 0.58 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 3hbl h GLN 289 CO -0.90 0.50 0.26 0.00 -2.65 0.00 0.00 178.83 176.04 3hbl h ARG 290 N 0.42 0.57 -0.56 1.69 3.08 -1.03 0.19 114.38 118.75 3hbl h ARG 290 Ca 0.12 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3hbl h ARG 290 Cb 0.17 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3hbl h ARG 290 CO -0.01 0.42 0.20 0.82 -1.07 0.00 0.00 179.97 180.33 3hbl h ILE 291 N 0.56 1.23 0.05 2.04 2.04 -1.29 0.13 117.51 122.28 3hbl h ILE 291 Ca 0.15 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 3hbl h ILE 291 Cb -0.01 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3hbl h ILE 291 CO -0.03 0.28 -0.02 0.00 0.00 0.00 0.00 178.15 178.38 3hbl h ASP 293 N -0.10 0.00 -0.22 0.00 3.32 -0.28 -1.39 116.42 117.76 3hbl h ASP 293 Ca -0.01 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3hbl h ASP 293 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3hbl h ASP 293 CO 0.01 0.14 -0.07 0.00 -1.72 0.00 0.00 179.24 177.61 3hbl h ALA 294 N 1.86 0.30 -0.77 3.45 0.00 -0.65 -1.85 119.26 121.59 3hbl h ALA 294 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3hbl h ALA 294 Cb 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3hbl h ALA 294 CO 0.02 0.10 0.41 0.00 0.00 0.00 0.00 179.25 179.78 3hbl h ALA 295 N 0.73 0.99 0.00 0.00 0.00 -0.87 -1.98 119.26 118.13 3hbl h ALA 295 Ca 0.05 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3hbl h ALA 295 Cb 0.53 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hbl h ALA 295 CO 0.02 0.52 -0.46 0.82 0.00 0.00 0.00 179.25 180.15 3hbl h ILE 296 N 1.08 0.94 -0.47 0.00 2.04 -1.32 -2.73 117.51 117.04 3hbl h ILE 296 Ca 0.27 -1.89 -0.13 0.00 1.00 0.00 0.00 64.86 64.11 3hbl h ILE 296 Cb 0.06 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3hbl h ILE 296 CO -0.04 0.45 -0.21 -0.61 0.00 0.00 0.00 178.15 177.75 3hbl h GLN 297 N 0.00 0.96 -0.02 2.37 4.15 -0.97 -2.51 115.11 119.10 3hbl h GLN 297 Ca -0.00 -0.40 -0.01 0.00 0.77 0.00 0.00 58.65 59.01 3hbl h GLN 297 Cb 1.12 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.77 3hbl h GLN 297 CO 0.06 1.07 -0.03 1.25 -1.93 0.00 0.00 178.83 179.25 3hbl h LEU 298 N 0.83 0.05 -0.45 -2.39 5.85 -1.25 -2.89 115.31 115.06 3hbl h LEU 298 Ca 0.11 -0.55 -0.16 0.00 0.84 0.00 0.00 57.88 58.12 3hbl h LEU 298 Cb 0.77 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3hbl h LEU 298 CO 0.06 0.59 -0.76 0.24 -0.34 0.00 0.00 178.44 178.23 3hbl h MET 299 N -0.49 0.00 0.00 1.25 2.86 -1.59 -2.74 114.93 114.23 3hbl h MET 299 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hbl h MET 299 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3hbl h MET 299 CO 0.01 0.76 0.00 -1.91 1.06 0.00 0.00 176.91 176.83 3hbl n GLU 300 N -3.60 0.05 0.07 1.72 2.13 -0.94 -1.54 120.64 118.53 3hbl n GLU 300 Ca -0.01 0.09 -0.19 0.00 0.66 0.00 0.00 57.16 57.71 3hbl n GLU 300 Cb 0.75 -1.57 -0.15 0.00 0.27 0.00 0.00 31.44 30.74 3hbl n GLU 300 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 3hbl h ASN 301 N 0.00 0.50 0.09 4.31 -1.24 -1.26 -3.36 115.58 114.62 3hbl h ASN 301 Ca 0.00 -0.70 0.00 0.00 0.71 0.00 0.00 56.30 56.31 3hbl h ASN 301 Cb 0.50 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.38 3hbl h ASN 301 CO 0.00 1.59 -0.08 2.30 -1.29 0.00 0.00 177.43 179.95 3hbl n ILE 302 N -3.52 0.00 -3.22 2.57 -5.35 -1.14 -4.96 119.36 103.75 3hbl n ILE 302 Ca -0.19 -0.18 -0.10 0.00 -0.27 0.00 0.00 62.75 62.00 3hbl n ILE 302 Cb 1.06 0.34 0.04 0.00 -1.74 0.00 0.00 39.64 39.34 3hbl n ILE 302 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hbl n LYS 303 N -0.23 -1.81 -2.77 6.28 5.02 -1.08 -4.96 118.16 118.61 3hbl n LYS 303 Ca 0.17 1.08 -0.39 0.00 -2.02 0.00 0.00 58.31 57.15 3hbl n LYS 303 Cb 0.33 -5.63 -0.06 0.00 -0.02 0.00 0.00 35.03 29.65 3hbl n LYS 303 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hbl s TYR 304 N -3.24 3.93 -0.07 2.13 6.14 -0.59 -5.00 117.35 120.66 3hbl s TYR 304 Ca 0.27 1.87 0.03 0.00 0.64 0.00 0.00 57.07 59.89 3hbl s TYR 304 Cb -0.04 -2.95 -0.02 0.00 0.42 0.00 0.00 41.96 39.36 3hbl s TYR 304 CO 0.75 0.42 -0.16 0.08 0.64 0.00 0.00 175.55 177.28 3hbl s VAL 305 N -1.26 2.89 0.01 3.14 1.01 -1.26 -4.44 120.40 120.49 3hbl s VAL 305 Ca 0.42 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3hbl s VAL 305 Cb -0.24 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3hbl s VAL 305 CO 0.30 0.57 0.00 -3.20 0.00 0.00 0.00 175.10 172.77 3hbl n ASN 306 N 2.64 -1.67 -4.75 3.32 2.85 0.24 -3.43 115.26 114.46 3hbl n ASN 306 Ca -0.17 0.04 -0.41 0.00 -0.11 0.00 0.00 54.58 53.93 3hbl n ASN 306 Cb 0.52 -0.12 -0.04 0.00 1.24 0.00 0.00 39.78 41.39 3hbl n ASN 306 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hbl s ALA 307 N -1.27 3.44 0.06 5.20 0.00 -1.26 -3.06 121.76 124.86 3hbl s ALA 307 Ca 0.00 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 3hbl s ALA 307 Cb 0.00 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.76 3hbl s ALA 307 CO 0.00 -0.34 0.43 0.20 0.00 0.00 0.00 175.76 176.05 3hbl s GLY 308 N -0.39 -0.30 0.04 0.00 0.00 -0.44 -3.62 107.32 102.61 3hbl s GLY 308 Ca 0.49 0.31 0.08 0.00 0.00 0.00 0.00 44.72 45.59 3hbl s GLY 308 CO 0.42 0.04 -0.22 -1.59 0.00 0.00 0.00 173.10 171.75 3hbl s THR 309 N -2.65 1.77 -0.20 0.90 2.01 -0.38 -1.08 115.64 116.00 3hbl s THR 309 Ca -0.04 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 60.73 3hbl s THR 309 Cb -0.00 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 71.00 3hbl s THR 309 CO -0.04 0.25 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.30 3hbl s VAL 310 N -0.79 2.35 -0.22 3.82 1.01 -0.65 -1.12 120.40 124.80 3hbl s VAL 310 Ca 0.08 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 3hbl s VAL 310 Cb -0.09 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3hbl s VAL 310 CO 0.02 0.41 0.51 -1.61 0.00 0.00 0.00 175.10 174.43 3hbl s GLU 311 N 1.30 4.15 0.53 2.72 2.02 0.11 -1.77 118.70 127.76 3hbl s GLU 311 Ca 0.03 0.38 0.01 0.00 0.02 0.00 0.00 54.97 55.40 3hbl s GLU 311 Cb -0.14 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.50 3hbl s GLU 311 CO -0.10 -0.20 0.06 -0.06 0.02 0.00 0.00 175.26 174.98 3hbl s PHE 312 N 1.81 1.72 0.04 1.61 0.40 0.22 -0.51 117.98 123.27 3hbl s PHE 312 Ca 0.23 -0.99 0.02 0.00 -0.60 0.00 0.00 56.93 55.60 3hbl s PHE 312 Cb -0.15 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 3hbl s PHE 312 CO 0.09 0.10 -0.08 -1.17 0.70 0.00 0.00 175.22 174.86 3hbl s LEU 313 N -3.96 2.22 -0.06 -0.37 2.96 0.06 -3.30 118.68 116.23 3hbl s LEU 313 Ca 0.05 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3hbl s LEU 313 Cb -0.00 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.49 3hbl s LEU 313 CO 0.03 -0.16 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.07 3hbl s VAL 314 N -1.19 1.26 -0.10 1.68 1.01 0.20 -1.89 120.40 121.36 3hbl s VAL 314 Ca -0.08 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 3hbl s VAL 314 Cb -0.09 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 3hbl s VAL 314 CO 0.00 0.38 -0.21 -0.24 0.00 0.00 0.00 175.10 175.03 3hbl n SER 315 N 3.51 1.44 0.00 3.32 2.88 -0.98 -1.07 113.62 122.73 3hbl n SER 315 Ca -0.20 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 3hbl n SER 315 Cb 0.52 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 3hbl n SER 315 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hbl n GLY 317 N 2.16 -1.07 2.07 0.46 0.00 -1.26 -4.93 105.19 102.61 3hbl n GLY 317 Ca -0.18 0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3hbl n GLY 317 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hbl n ASP 318 N -1.08 5.10 -3.78 1.61 8.00 -1.26 -5.01 116.55 120.13 3hbl n ASP 318 Ca 0.00 -3.75 -0.13 0.00 0.71 0.00 0.00 54.79 51.62 3hbl n ASP 318 Cb 0.00 -0.39 -0.09 0.00 -0.02 0.00 0.00 41.12 40.62 3hbl n ASP 318 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3hbl s GLU 319 N -3.61 0.58 0.03 -1.24 2.12 -1.26 -5.08 118.70 110.24 3hbl s GLU 319 Ca 0.52 -0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.73 3hbl s GLU 319 Cb 0.42 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 35.04 3hbl s GLU 319 CO 0.02 -0.15 -0.01 -0.59 -0.54 0.00 0.00 175.26 173.99 3hbl s PHE 320 N -1.06 0.32 -0.00 5.30 -0.71 -1.26 -2.31 117.98 118.26 3hbl s PHE 320 Ca -0.11 -0.66 0.02 0.00 -1.04 0.00 0.00 56.93 55.14 3hbl s PHE 320 Cb -0.05 -0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 41.52 3hbl s PHE 320 CO 0.03 -0.26 -0.07 -0.06 -1.34 0.00 0.00 175.22 173.51 3hbl s PHE 321 N -2.25 0.67 0.21 3.49 0.08 -0.79 -4.65 117.98 114.73 3hbl s PHE 321 Ca -0.08 -0.13 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 3hbl s PHE 321 Cb -0.04 -0.43 -0.08 0.00 -0.57 0.00 0.00 43.02 41.90 3hbl s PHE 321 CO -0.04 -0.01 1.13 0.12 -0.10 0.00 0.00 175.22 176.32 3hbl s PHE 322 N -0.20 3.53 0.00 0.36 2.19 0.47 -0.76 117.98 123.57 3hbl s PHE 322 Ca 0.03 1.57 0.00 0.00 0.33 0.00 0.00 56.93 58.86 3hbl s PHE 322 Cb -0.03 -3.33 0.00 0.00 -1.31 0.00 0.00 43.02 38.35 3hbl s PHE 322 CO -0.00 -0.79 0.00 -0.89 1.83 0.00 0.00 175.22 175.37 3hbl n ILE 323 N 2.01 0.00 -3.88 3.12 2.08 0.33 -4.54 119.36 118.48 3hbl n ILE 323 Ca 0.02 0.17 -0.09 0.00 0.56 0.00 0.00 62.75 63.41 3hbl n ILE 323 Cb 0.45 -1.16 -0.04 0.00 -0.75 0.00 0.00 39.64 38.14 3hbl n ILE 323 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3hbl s GLU 324 N -0.98 1.53 -0.14 0.38 -1.05 -1.18 -5.00 118.70 112.27 3hbl s GLU 324 Ca 0.00 -1.07 0.02 0.00 -0.15 0.00 0.00 54.97 53.77 3hbl s GLU 324 Cb 0.00 0.51 0.01 0.00 -0.44 0.00 0.00 34.13 34.22 3hbl s GLU 324 CO 0.00 -0.65 -0.20 0.08 0.95 0.00 0.00 175.26 175.43 3hbl s VAL 325 N -3.95 1.94 -0.45 1.83 1.01 -1.26 0.05 120.40 119.57 3hbl s VAL 325 Ca 0.15 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 3hbl s VAL 325 Cb -0.02 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.66 3hbl s VAL 325 CO 0.04 0.52 0.66 0.20 0.00 0.00 0.00 175.10 176.53 3hbl s ASN 326 N 0.97 6.32 -0.33 3.32 0.01 -0.28 -4.90 114.94 120.06 3hbl s ASN 326 Ca -0.04 -0.36 -0.03 0.00 -0.71 0.00 0.00 52.86 51.72 3hbl s ASN 326 Cb -0.15 -2.32 0.10 0.00 0.41 0.00 0.00 41.25 39.29 3hbl s ASN 326 CO -0.04 -0.80 2.47 -0.81 -1.51 0.00 0.00 177.10 176.40 3hbl n PRO 327 N 6.31 2.02 -2.60 -0.60 -0.04 -1.26 -1.24 135.00 137.58 3hbl n PRO 327 Ca -0.02 -1.74 -0.02 0.00 -0.04 0.00 0.00 63.50 61.69 3hbl n PRO 327 Cb 0.48 -1.83 0.01 0.00 -0.04 0.00 0.00 33.50 32.12 3hbl n PRO 327 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3hbl n ARG 328 N 0.82 0.33 -2.22 0.54 -4.01 -1.24 -4.48 116.66 106.40 3hbl n ARG 328 Ca 0.37 -0.75 -0.33 0.00 -1.04 0.00 0.00 57.85 56.11 3hbl n ARG 328 Cb 0.60 1.00 -0.01 0.00 -3.04 0.00 0.00 32.46 31.01 3hbl n ARG 328 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3hbl s VAL 329 N -2.34 4.08 0.25 8.89 1.01 -1.26 -4.27 120.40 126.77 3hbl s VAL 329 Ca 0.11 1.02 0.09 0.00 0.00 0.00 0.00 61.98 63.20 3hbl s VAL 329 Cb -0.01 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3hbl s VAL 329 CO 0.03 -0.55 0.03 -1.10 0.00 0.00 0.00 175.10 173.51 3hbl s GLN 330 N -4.00 2.42 0.23 2.72 -0.21 -1.26 -4.57 119.66 115.00 3hbl s GLN 330 Ca 0.62 -1.32 -0.06 0.00 0.02 0.00 0.00 55.36 54.62 3hbl s GLN 330 Cb -0.14 -2.25 0.30 0.00 1.00 0.00 0.00 33.01 31.92 3hbl s GLN 330 CO 0.33 0.38 1.84 0.28 -2.12 0.00 0.00 175.29 176.01 3hbl h VAL 331 N 1.88 1.04 0.00 1.09 2.07 -1.99 -2.71 116.25 117.62 3hbl h VAL 331 Ca -0.45 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3hbl h VAL 331 Cb 1.24 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3hbl h VAL 331 CO 0.60 0.17 0.00 -1.84 0.02 0.00 0.00 177.57 176.52 3hbl n GLU 332 N -4.65 0.97 -0.23 1.57 0.00 -1.26 -4.28 120.64 112.77 3hbl n GLU 332 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.30 3hbl n GLU 332 Cb 0.17 -1.01 0.14 0.00 0.00 0.00 0.00 31.44 30.74 3hbl n GLU 332 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 3hbl h HIS 333 N 0.00 0.37 -0.95 -1.84 2.07 -1.90 -2.67 115.15 110.24 3hbl h HIS 333 Ca 0.00 0.04 0.21 0.00 -2.85 0.00 0.00 60.37 57.77 3hbl h HIS 333 Cb 0.00 -0.06 -0.12 0.00 2.57 0.00 0.00 27.41 29.80 3hbl h HIS 333 CO 0.00 0.03 0.51 1.79 -3.07 0.00 0.00 177.93 177.19 3hbl h THR 334 N 0.37 0.57 -0.94 6.12 1.35 -1.86 0.20 112.91 118.71 3hbl h THR 334 Ca 0.36 -0.19 0.17 0.00 -0.55 0.00 0.00 66.41 66.20 3hbl h THR 334 Cb 0.53 -0.04 -0.08 0.00 -1.73 0.00 0.00 68.15 66.83 3hbl h THR 334 CO -0.39 0.10 0.60 -0.29 -0.25 0.00 0.00 175.52 175.29 3hbl h ILE 335 N 0.56 0.76 0.01 6.82 2.10 -1.82 0.85 117.51 126.78 3hbl h ILE 335 Ca 0.58 -0.23 -0.23 0.00 1.08 0.00 0.00 64.86 66.06 3hbl h ILE 335 Cb 1.04 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 3hbl h ILE 335 CO -0.46 0.12 -0.95 0.74 -1.08 0.00 0.00 178.15 176.52 3hbl h THR 336 N 0.68 1.41 -0.23 2.19 2.02 -1.11 -3.24 112.91 114.61 3hbl h THR 336 Ca 0.50 -2.48 0.03 0.00 0.77 0.00 0.00 66.41 65.23 3hbl h THR 336 Cb 0.87 2.44 -0.03 0.00 -1.74 0.00 0.00 68.15 69.69 3hbl h THR 336 CO -0.26 0.74 0.06 -0.33 0.37 0.00 0.00 175.52 176.10 3hbl h GLU 337 N 0.22 0.16 -0.93 6.66 5.08 -0.55 -2.13 114.58 123.09 3hbl h GLU 337 Ca -0.08 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3hbl h GLU 337 Cb 1.59 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.75 3hbl h GLU 337 CO 0.16 0.11 0.61 0.52 -1.00 0.00 0.00 179.01 179.41 3hbl h MET 338 N 0.16 1.07 0.00 2.33 2.86 -1.21 0.44 114.93 120.59 3hbl h MET 338 Ca 0.10 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 3hbl h MET 338 Cb 0.09 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 3hbl h MET 338 CO -0.12 0.71 -1.03 -0.39 1.06 0.00 0.00 176.91 177.14 3hbl h VAL 339 N 1.11 0.35 0.00 -2.22 -1.51 -1.57 -3.36 116.25 109.04 3hbl h VAL 339 Ca 0.39 -1.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 3hbl h VAL 339 Cb 0.13 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 3hbl h VAL 339 CO -0.14 0.20 -1.11 0.35 -1.23 0.00 0.00 177.57 175.64 3hbl n THR 340 N -2.89 0.00 -1.06 7.19 -2.24 -0.81 -0.52 114.28 113.96 3hbl n THR 340 Ca -0.04 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.49 3hbl n THR 340 Cb 0.71 0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 3hbl n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hbl n GLY 341 N 1.47 0.51 3.43 3.38 0.00 0.15 -4.92 105.19 109.21 3hbl n GLY 341 Ca 0.00 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3hbl n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 342 N -1.87 3.57 -0.66 -0.61 1.01 -1.21 -5.03 121.20 116.40 3hbl s ILE 342 Ca 0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 3hbl s ILE 342 Cb 0.00 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 39.94 3hbl s ILE 342 CO 0.00 0.49 1.21 -0.62 0.00 0.00 0.00 174.94 176.01 3hbl s ASP 343 N 0.57 6.29 0.02 3.58 3.68 -1.26 -4.35 116.67 125.20 3hbl s ASP 343 Ca -0.04 -0.23 -0.25 0.00 2.13 0.00 0.00 52.55 54.16 3hbl s ASP 343 Cb -0.15 -2.54 -0.18 0.00 -1.45 0.00 0.00 42.92 38.60 3hbl s ASP 343 CO 0.03 -1.63 1.43 0.40 0.13 0.00 0.00 175.17 175.53 3hbl h ILE 344 N 6.08 1.21 0.27 4.11 2.04 -1.97 -1.87 117.51 127.38 3hbl h ILE 344 Ca -0.27 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 3hbl h ILE 344 Cb 1.06 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3hbl h ILE 344 CO 1.22 0.18 -0.13 0.58 0.00 0.00 0.00 178.15 180.01 3hbl h VAL 345 N -0.34 0.76 -0.86 1.67 2.07 -1.99 -0.95 116.25 116.61 3hbl h VAL 345 Ca -0.00 -0.12 0.12 0.00 0.82 0.00 0.00 66.70 67.51 3hbl h VAL 345 Cb 0.32 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 3hbl h VAL 345 CO 0.00 0.03 0.49 0.50 0.02 0.00 0.00 177.57 178.61 3hbl h LYS 346 N -0.42 0.74 -0.13 1.57 3.64 -1.93 -2.04 116.57 118.00 3hbl h LYS 346 Ca -0.04 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3hbl h LYS 346 Cb 0.32 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3hbl h LYS 346 CO 0.06 0.49 -0.04 1.15 -2.27 0.00 0.00 179.45 178.84 3hbl h THR 347 N 0.76 0.85 -0.67 1.00 2.02 -0.86 -2.16 112.91 113.86 3hbl h THR 347 Ca 0.44 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.76 3hbl h THR 347 Cb 0.49 0.85 -0.12 0.00 -1.74 0.00 0.00 68.15 67.62 3hbl h THR 347 CO -0.29 0.00 -0.09 1.56 0.37 0.00 0.00 175.52 177.07 3hbl h GLN 348 N -0.02 0.04 -0.96 6.66 4.20 -0.47 0.32 115.11 124.89 3hbl h GLN 348 Ca 0.06 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3hbl h GLN 348 Cb 0.11 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 3hbl h GLN 348 CO -0.14 0.03 0.62 0.82 -0.67 0.00 0.00 178.83 179.48 3hbl h ILE 349 N 0.04 1.25 -0.02 2.54 2.04 -1.17 -1.27 117.51 120.94 3hbl h ILE 349 Ca 0.34 -0.49 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 3hbl h ILE 349 Cb 0.54 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3hbl h ILE 349 CO -0.64 0.25 -0.52 -0.07 0.00 0.00 0.00 178.15 177.17 3hbl h LEU 350 N 1.31 0.05 -0.24 1.44 3.38 -0.40 -2.77 115.31 118.08 3hbl h LEU 350 Ca 0.35 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 58.08 3hbl h LEU 350 Cb -0.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3hbl h LEU 350 CO -0.07 0.56 -0.79 0.58 0.09 0.00 0.00 178.44 178.81 3hbl h VAL 351 N 0.03 1.32 0.00 1.22 2.07 0.28 -2.61 116.25 118.57 3hbl h VAL 351 Ca -0.00 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.44 3hbl h VAL 351 Cb 0.94 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 3hbl h VAL 351 CO 0.07 0.64 0.00 0.00 0.02 0.00 0.00 177.57 178.30 3hbl n ALA 352 N -2.57 2.25 0.62 1.67 0.00 -0.55 -2.73 120.51 119.21 3hbl n ALA 352 Ca -0.06 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.37 3hbl n ALA 352 Cb 0.75 -1.40 0.26 0.00 0.00 0.00 0.00 19.45 19.06 3hbl n ALA 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hbl n ALA 353 N -1.29 2.45 0.00 0.00 0.00 -0.99 -4.94 120.51 115.74 3hbl n ALA 353 Ca 0.12 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3hbl n ALA 353 Cb 0.20 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3hbl n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 354 N 1.38 2.60 3.45 0.00 0.00 -1.10 -3.96 105.19 107.55 3hbl n GLY 354 Ca 0.18 -0.66 -0.49 0.00 0.00 0.00 0.00 46.02 45.05 3hbl n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl n ALA 355 N 0.00 -2.48 -2.45 4.61 0.00 -1.17 -4.70 120.51 114.33 3hbl n ALA 355 Ca 0.00 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 3hbl n ALA 355 Cb 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 3hbl n ALA 355 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hbl s ASP 356 N -0.78 7.10 0.62 0.00 -1.08 -1.26 -4.67 116.67 116.59 3hbl s ASP 356 Ca 0.66 1.97 0.40 0.00 -0.52 0.00 0.00 52.55 55.06 3hbl s ASP 356 Cb -0.93 -2.58 1.98 0.00 -1.46 0.00 0.00 42.92 39.94 3hbl s ASP 356 CO 0.56 -0.47 2.21 0.17 0.52 0.00 0.00 175.17 178.17 3hbl h LEU 357 N 6.95 0.00 -2.60 -1.34 8.10 -1.93 -0.01 115.31 124.47 3hbl h LEU 357 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.58 3hbl h LEU 357 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 3hbl h LEU 357 CO 0.81 0.01 0.00 0.49 -4.11 0.00 0.00 178.44 175.64 3hbl n PHE 357 N -3.12 1.26 -1.47 0.17 0.99 -1.26 0.19 117.46 114.21 3hbl n PHE 357 Ca -0.02 -0.48 0.00 0.00 -0.00 0.00 0.00 57.45 56.95 3hbl n PHE 357 Cb 0.17 -0.25 0.00 0.00 -1.00 0.00 0.00 39.48 38.40 3hbl n PHE 357 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hbl n GLY 357 N 0.85 1.95 0.20 1.37 0.00 -0.02 -4.77 105.19 104.77 3hbl n GLY 357 Ca 0.20 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.35 3hbl n GLY 357 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hbl h GLU 358 N 0.00 0.00 0.00 1.61 4.39 -1.92 -2.80 114.58 115.85 3hbl h GLU 358 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hbl h GLU 358 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3hbl h GLU 358 CO 0.00 0.21 -0.19 0.93 -1.16 0.00 0.00 179.01 178.80 3hbl h GLU 359 N 0.00 0.00 0.18 2.33 3.07 -1.93 -3.41 114.58 114.82 3hbl h GLU 359 Ca -0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 3hbl h GLU 359 Cb 0.99 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.92 3hbl h GLU 359 CO 0.03 0.02 -1.44 0.82 -1.40 0.00 0.00 179.01 177.04 3hbl h ILE 360 N -1.00 1.14 -6.02 3.13 5.03 -1.78 -3.49 117.51 114.53 3hbl h ILE 360 Ca -0.00 -2.53 -0.34 0.00 -0.12 0.00 0.00 64.86 61.86 3hbl h ILE 360 Cb 0.20 2.90 0.09 0.00 -3.03 0.00 0.00 36.82 36.98 3hbl h ILE 360 CO -0.00 0.78 -0.80 0.59 -0.68 0.00 0.00 178.15 178.04 3hbl n ASN 361 N -3.80 -5.89 -4.69 1.72 4.13 -1.06 -4.95 115.26 100.71 3hbl n ASN 361 Ca -0.21 -0.82 -0.42 0.00 1.68 0.00 0.00 54.58 54.80 3hbl n ASN 361 Cb 1.00 -3.82 -0.03 0.00 -1.54 0.00 0.00 39.78 35.39 3hbl n ASN 361 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3hbl s MET 362 N -5.17 4.40 0.32 3.52 -1.94 0.13 -5.00 119.30 115.56 3hbl s MET 362 Ca 0.36 1.54 -0.29 0.00 -1.71 0.00 0.00 55.69 55.59 3hbl s MET 362 Cb -0.11 -3.53 -0.10 0.00 2.01 0.00 0.00 34.83 33.10 3hbl s MET 362 CO 0.83 -0.35 1.24 -2.14 -0.01 0.00 0.00 175.02 174.59 3hbl s PRO 362 N 1.96 4.43 0.44 2.03 0.02 -1.26 -4.70 135.00 137.92 3hbl s PRO 362 Ca 0.52 2.08 -0.24 0.00 0.02 0.00 0.00 61.00 63.38 3hbl s PRO 362 Cb -0.22 -3.09 -0.09 0.00 0.02 0.00 0.00 34.50 31.12 3hbl s PRO 362 CO 0.21 -0.07 1.15 0.94 -0.33 0.00 0.00 177.00 178.90 3hbl n GLN 363 N 0.88 1.60 -0.33 5.54 -0.06 -1.26 -4.59 117.38 119.17 3hbl n GLN 363 Ca -0.00 0.57 0.25 0.00 -2.00 0.00 0.00 57.00 55.82 3hbl n GLN 363 Cb 0.43 -2.24 0.48 0.00 -4.06 0.00 0.00 30.24 24.85 3hbl n GLN 363 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 3hbl h GLN 364 N 1.69 0.09 -0.74 3.69 5.75 -1.94 0.99 115.11 124.64 3hbl h GLN 364 Ca -0.47 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.09 3hbl h GLN 364 Cb 1.32 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.79 3hbl h GLN 364 CO 0.58 0.06 0.43 0.87 -2.65 0.00 0.00 178.83 178.12 3hbl h LYS 365 N 0.09 0.76 -0.00 1.69 1.79 -2.01 -2.40 116.57 116.49 3hbl h LYS 365 Ca 0.75 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.18 3hbl h LYS 365 Cb 1.83 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 3hbl h LYS 365 CO -0.75 0.50 -0.08 -0.25 -1.08 0.00 0.00 179.45 177.79 3hbl n ASP 366 N -4.73 0.37 -4.66 0.86 8.00 0.34 -4.73 116.55 111.99 3hbl n ASP 366 Ca 0.10 -0.55 -0.42 0.00 0.71 0.00 0.00 54.79 54.62 3hbl n ASP 366 Cb 0.19 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3hbl n ASP 366 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hbl s ILE 367 N -2.44 4.77 0.30 0.53 1.01 -0.83 -4.90 121.20 119.64 3hbl s ILE 367 Ca 0.31 1.85 0.05 0.00 0.00 0.00 0.00 60.65 62.86 3hbl s ILE 367 Cb 0.20 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 3hbl s ILE 367 CO 0.46 -0.09 0.25 0.42 0.00 0.00 0.00 174.94 175.98 3hbl s THR 368 N 2.73 0.00 -0.01 2.92 -4.23 -1.26 -4.99 115.64 110.80 3hbl s THR 368 Ca 0.41 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3hbl s THR 368 Cb -0.16 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 3hbl s THR 368 CO 0.09 0.00 0.07 0.42 -0.54 0.00 0.00 174.62 174.66 3hbl s THR 369 N -3.60 4.67 -0.24 3.99 -4.23 -1.26 -4.50 115.64 110.48 3hbl s THR 369 Ca 0.40 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.52 3hbl s THR 369 Cb 0.03 -3.12 0.04 0.00 1.34 0.00 0.00 72.50 70.79 3hbl s THR 369 CO 0.24 0.37 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.34 3hbl s LEU 370 N -1.68 3.03 0.00 4.79 2.96 0.32 -5.02 118.68 123.08 3hbl s LEU 370 Ca 0.22 -1.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 3hbl s LEU 370 Cb -0.12 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.02 3hbl s LEU 370 CO 0.13 -0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.64 3hbl n GLY 371 N 4.52 0.46 3.36 7.98 0.00 -1.26 -4.50 105.19 115.75 3hbl n GLY 371 Ca -0.16 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 3hbl n GLY 371 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hbl s TYR 372 N 0.00 1.94 0.01 1.61 1.51 0.21 -4.52 117.35 118.13 3hbl s TYR 372 Ca 0.00 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 3hbl s TYR 372 Cb 0.00 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.88 3hbl s TYR 372 CO 0.00 0.39 -0.09 0.00 -1.11 0.00 0.00 175.55 174.74 3hbl s ALA 373 N -2.00 0.69 0.00 3.71 0.00 0.33 -1.94 121.76 122.56 3hbl s ALA 373 Ca 0.18 -0.51 0.05 0.00 0.00 0.00 0.00 51.96 51.67 3hbl s ALA 373 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3hbl s ALA 373 CO 0.08 0.12 -0.16 0.42 0.00 0.00 0.00 175.76 176.22 3hbl s ILE 374 N -0.58 1.23 0.04 0.00 1.01 -0.18 -1.35 121.20 121.37 3hbl s ILE 374 Ca -0.01 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.90 3hbl s ILE 374 Cb -0.05 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 3hbl s ILE 374 CO 0.00 0.26 -0.11 -1.58 0.00 0.00 0.00 174.94 173.51 3hbl s GLN 375 N -0.60 0.69 0.16 2.79 0.74 -0.81 -0.31 119.66 122.33 3hbl s GLN 375 Ca 0.05 -0.74 -0.06 0.00 0.05 0.00 0.00 55.36 54.66 3hbl s GLN 375 Cb -0.07 -0.61 -0.02 0.00 1.10 0.00 0.00 33.01 33.42 3hbl s GLN 375 CO 0.00 0.14 0.21 0.00 -0.55 0.00 0.00 175.29 175.09 3hbl s ARG 377 N -4.01 3.26 -0.41 0.00 3.00 -1.26 -1.62 118.95 117.93 3hbl s ARG 377 Ca 0.21 -0.57 -0.22 0.00 0.00 0.00 0.00 55.73 55.15 3hbl s ARG 377 Cb 0.05 -2.73 0.02 0.00 0.00 0.00 0.00 34.95 32.28 3hbl s ARG 377 CO 0.02 0.39 0.72 0.42 0.00 0.00 0.00 175.30 176.85 3hbl s ILE 378 N -0.08 4.77 0.48 1.52 -1.09 0.47 -4.98 121.20 122.30 3hbl s ILE 378 Ca 0.00 0.49 0.02 0.00 -2.23 0.00 0.00 60.65 58.94 3hbl s ILE 378 Cb -0.13 -4.21 -0.02 0.00 -1.58 0.00 0.00 42.46 36.51 3hbl s ILE 378 CO 0.03 -0.53 0.01 0.42 -1.23 0.00 0.00 174.94 173.64 3hbl s THR 379 N 3.00 1.24 -2.30 2.92 -4.23 -1.26 0.72 115.64 115.73 3hbl s THR 379 Ca 0.27 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.99 3hbl s THR 379 Cb -0.13 -2.31 0.45 0.00 1.34 0.00 0.00 72.50 71.84 3hbl s THR 379 CO 0.19 0.00 1.52 0.35 -0.54 0.00 0.00 174.62 176.14 3hbl n THR 380 N -1.18 0.25 -1.74 3.99 -2.24 -1.26 -2.25 114.28 109.85 3hbl n THR 380 Ca -0.16 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 3hbl n THR 380 Cb 0.67 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 3hbl n THR 380 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hbl n GLU 381 N 0.47 2.72 -3.67 -0.78 1.02 -1.26 -2.45 120.64 116.68 3hbl n GLU 381 Ca 0.16 0.97 -0.39 0.00 -0.02 0.00 0.00 57.16 57.89 3hbl n GLU 381 Cb 0.36 -2.78 -0.12 0.00 -0.02 0.00 0.00 31.44 28.89 3hbl n GLU 381 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hbl s ASP 382 N 0.71 5.48 0.54 1.62 2.15 -1.25 -2.40 116.67 123.53 3hbl s ASP 382 Ca 0.68 -0.86 0.21 0.00 0.43 0.00 0.00 52.55 53.01 3hbl s ASP 382 Cb -0.50 -1.96 1.43 0.00 -0.30 0.00 0.00 42.92 41.59 3hbl s ASP 382 CO 0.43 -0.29 2.14 1.55 -0.17 0.00 0.00 175.17 178.83 3hbl h PRO 383 N 8.33 0.00 0.00 4.34 0.13 -1.94 0.12 132.00 142.98 3hbl h PRO 383 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hbl h PRO 383 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hbl h PRO 383 CO 0.63 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.33 3hbl h LEU 384 N 0.00 0.00 -5.87 1.56 3.38 -1.94 -3.38 115.31 109.05 3hbl h LEU 384 Ca 0.05 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.52 3hbl h LEU 384 Cb 0.20 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.55 3hbl h LEU 384 CO -0.00 0.00 -1.10 -3.20 0.09 0.00 0.00 178.44 174.23 3hbl n ASN 385 N -3.05 1.47 -0.65 -0.43 2.85 -0.23 -4.98 115.26 110.25 3hbl n ASN 385 Ca 0.02 -3.13 -0.07 0.00 -0.11 0.00 0.00 54.58 51.29 3hbl n ASN 385 Cb 0.37 -0.61 -0.03 0.00 1.24 0.00 0.00 39.78 40.75 3hbl n ASN 385 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3hbl n ASP 386 N 0.19 -4.31 -1.36 1.20 10.43 -1.18 -2.08 116.55 119.44 3hbl n ASP 386 Ca 0.26 0.17 -0.14 0.00 2.57 0.00 0.00 54.79 57.65 3hbl n ASP 386 Cb 0.61 -3.19 -0.04 0.00 1.84 0.00 0.00 41.12 40.34 3hbl n ASP 386 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3hbl n PHE 387 N -1.73 -0.32 -2.32 1.24 3.72 0.24 -4.97 117.46 113.32 3hbl n PHE 387 Ca -0.07 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.90 3hbl n PHE 387 Cb 0.44 -2.79 -0.02 0.00 -0.94 0.00 0.00 39.48 36.16 3hbl n PHE 387 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3hbl s MET 388 N -3.92 4.24 -0.11 -1.08 -1.94 -0.88 -4.51 119.30 111.09 3hbl s MET 388 Ca 0.00 1.81 -0.35 0.00 -1.71 0.00 0.00 55.69 55.44 3hbl s MET 388 Cb 0.00 -3.78 -0.12 0.00 2.01 0.00 0.00 34.83 32.94 3hbl s MET 388 CO 0.00 -0.70 1.87 -2.30 -0.01 0.00 0.00 175.02 173.88 3hbl n PRO 389 N 6.48 2.06 -2.67 2.03 -0.02 -1.26 -3.74 135.00 137.87 3hbl n PRO 389 Ca 0.14 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 62.04 3hbl n PRO 389 Cb 0.44 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 3hbl n PRO 389 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hbl s ASP 390 N 4.07 6.72 0.24 2.55 3.68 -1.03 -4.96 116.67 127.94 3hbl s ASP 390 Ca 0.94 1.84 0.07 0.00 2.13 0.00 0.00 52.55 57.53 3hbl s ASP 390 Cb -0.74 -2.56 -0.05 0.00 -1.45 0.00 0.00 42.92 38.13 3hbl s ASP 390 CO 0.53 -0.51 -0.10 0.42 0.13 0.00 0.00 175.17 175.64 3hbl s THR 391 N -1.98 1.68 -4.23 1.71 -4.23 -1.26 -4.84 115.64 102.49 3hbl s THR 391 Ca 0.62 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 3hbl s THR 391 Cb -0.15 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.47 3hbl s THR 391 CO 0.19 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 3hbl n GLY 392 N -0.47 0.90 3.59 3.99 0.00 -1.24 -4.92 105.19 107.05 3hbl n GLY 392 Ca -0.07 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 3hbl n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hbl s THR 393 N -2.33 4.65 0.03 2.61 2.01 -1.26 -1.18 115.64 120.17 3hbl s THR 393 Ca 0.00 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 3hbl s THR 393 Cb 0.00 -3.10 -0.06 0.00 0.01 0.00 0.00 72.50 69.35 3hbl s THR 393 CO 0.00 0.44 1.36 -0.63 -0.69 0.00 0.00 174.62 175.09 3hbl s ILE 394 N 0.61 3.69 -0.59 1.82 1.01 -0.89 -4.52 121.20 122.33 3hbl s ILE 394 Ca 0.03 1.14 0.19 0.00 0.00 0.00 0.00 60.65 62.01 3hbl s ILE 394 Cb -0.13 -3.73 -0.24 0.00 0.01 0.00 0.00 42.46 38.37 3hbl s ILE 394 CO 0.01 0.03 0.68 2.30 0.00 0.00 0.00 174.94 177.96 3hbl n ILE 395 N 4.38 0.00 -3.68 2.92 -5.35 -0.99 -4.46 119.36 112.18 3hbl n ILE 395 Ca 0.12 -0.19 -0.10 0.00 -0.27 0.00 0.00 62.75 62.31 3hbl n ILE 395 Cb 0.44 0.67 -0.11 0.00 -1.74 0.00 0.00 39.64 38.90 3hbl n ILE 395 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hbl s ALA 396 N -2.99 -1.06 -0.12 -1.28 0.00 -1.26 -4.56 121.76 110.49 3hbl s ALA 396 Ca 0.02 1.50 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 3hbl s ALA 396 Cb 0.14 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 22.25 3hbl s ALA 396 CO 0.79 -0.43 0.05 -0.47 0.00 0.00 0.00 175.76 175.70 3hbl s TYR 397 N 1.81 0.47 -0.05 0.00 6.14 -1.25 -2.43 117.35 122.04 3hbl s TYR 397 Ca -0.07 -0.26 0.03 0.00 0.64 0.00 0.00 57.07 57.41 3hbl s TYR 397 Cb -0.10 -0.75 0.01 0.00 0.42 0.00 0.00 41.96 41.54 3hbl s TYR 397 CO -0.13 -0.41 -0.14 0.50 0.64 0.00 0.00 175.55 176.01 3hbl s ARG 398 N 2.04 1.69 0.33 4.97 3.52 -0.83 -4.77 118.95 125.90 3hbl s ARG 398 Ca 0.03 -0.49 0.09 0.00 -0.13 0.00 0.00 55.73 55.23 3hbl s ARG 398 Cb -0.14 -1.42 -0.05 0.00 -1.56 0.00 0.00 34.95 31.77 3hbl s ARG 398 CO -0.06 0.12 0.01 -1.54 -0.81 0.00 0.00 175.30 173.02 3hbl s SER 399 N 0.37 4.24 0.00 -2.12 1.04 -1.26 -1.94 113.70 114.03 3hbl s SER 399 Ca -0.10 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.40 3hbl s SER 399 Cb -0.13 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.41 3hbl s SER 399 CO 0.03 -0.21 0.00 -1.20 0.98 0.00 0.00 173.24 172.84 3hbl n SER 400 N -0.95 0.00 0.00 7.02 7.64 -1.26 -4.90 113.62 121.16 3hbl n SER 400 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3hbl n SER 400 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 3hbl n SER 400 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hbl n GLY 401 N 5.00 0.08 0.00 0.23 0.00 -1.26 -5.03 105.19 104.21 3hbl n GLY 401 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3hbl n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 402 N 0.00 -0.02 3.70 -0.02 0.00 -1.26 -4.63 105.19 102.96 3hbl n GLY 402 Ca 0.00 -1.82 -0.44 0.00 0.00 0.00 0.00 46.02 43.76 3hbl n GLY 402 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hbl n PHE 403 N 0.10 2.57 -0.38 1.61 -0.00 -1.26 -1.98 117.46 118.12 3hbl n PHE 403 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.45 57.58 3hbl n PHE 403 Cb 0.00 -2.62 0.00 0.00 -0.00 0.00 0.00 39.48 36.86 3hbl n PHE 403 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hbl n GLY 404 N 3.75 2.09 3.65 7.13 0.00 -1.26 -4.93 105.19 115.62 3hbl n GLY 404 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3hbl n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hbl s VAL 405 N -3.33 5.13 -0.12 1.61 1.01 -0.84 -1.08 120.40 122.77 3hbl s VAL 405 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3hbl s VAL 405 Cb 0.00 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 33.04 3hbl s VAL 405 CO 0.00 0.40 -0.11 -0.60 0.00 0.00 0.00 175.10 174.78 3hbl s ARG 406 N 0.77 1.92 -0.16 2.72 6.06 -0.66 -4.52 118.95 125.08 3hbl s ARG 406 Ca 0.06 -0.42 -0.05 0.00 -2.50 0.00 0.00 55.73 52.82 3hbl s ARG 406 Cb -0.13 -1.82 -0.03 0.00 0.06 0.00 0.00 34.95 33.03 3hbl s ARG 406 CO 0.02 -0.21 -0.01 -0.51 -2.50 0.00 0.00 175.30 172.09 3hbl s LEU 407 N 1.47 3.42 -0.52 -0.88 1.43 -1.26 -2.25 118.68 120.09 3hbl s LEU 407 Ca 0.02 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 3hbl s LEU 407 Cb -0.13 -1.84 0.14 0.00 0.03 0.00 0.00 46.19 44.39 3hbl s LEU 407 CO -0.08 0.17 0.30 -1.81 0.23 0.00 0.00 176.35 175.16 3hbl s ASP 408 N 0.37 4.06 0.15 2.29 1.01 -0.05 -4.99 116.67 119.51 3hbl s ASP 408 Ca -0.02 -3.03 -0.31 0.00 0.71 0.00 0.00 52.55 49.90 3hbl s ASP 408 Cb -0.14 -1.39 -0.08 0.00 1.01 0.00 0.00 42.92 42.33 3hbl s ASP 408 CO 0.02 -0.22 1.33 0.00 0.21 0.00 0.00 175.17 176.52 3hbl s ALA 409 N -0.26 3.54 0.00 5.23 0.00 -1.26 0.09 121.76 129.09 3hbl s ALA 409 Ca 0.19 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.24 3hbl s ALA 409 Cb -0.21 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3hbl s ALA 409 CO -0.04 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.58 3hbl n GLY 410 N 2.87 -0.15 1.27 0.00 0.00 0.28 -3.64 105.19 105.82 3hbl n GLY 410 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 3hbl n GLY 410 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hbl n ASP 411 N 0.00 3.69 -4.49 1.61 8.00 -0.79 -4.68 116.55 119.90 3hbl n ASP 411 Ca 0.00 -2.10 -0.43 0.00 0.71 0.00 0.00 54.79 52.97 3hbl n ASP 411 Cb 0.00 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 3hbl n ASP 411 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hbl s GLY 412 N -0.96 1.73 0.25 0.44 0.00 -0.60 -4.80 107.32 103.38 3hbl s GLY 412 Ca 0.44 -2.63 -0.14 0.00 0.00 0.00 0.00 44.72 42.39 3hbl s GLY 412 CO 0.28 2.24 0.51 -0.11 0.00 0.00 0.00 173.10 176.02 3hbl s PHE 413 N 3.41 0.27 0.10 1.90 -0.12 -1.26 -4.93 117.98 117.34 3hbl s PHE 413 Ca 0.38 -0.64 -0.33 0.00 -0.05 0.00 0.00 56.93 56.28 3hbl s PHE 413 Cb -0.03 0.27 -0.14 0.00 -0.63 0.00 0.00 43.02 42.49 3hbl s PHE 413 CO -0.09 -1.02 1.58 1.96 -0.05 0.00 0.00 175.22 177.60 3hbl h GLN 414 N 2.22 -0.80 0.00 1.99 1.08 -1.90 -2.91 115.11 114.79 3hbl h GLN 414 Ca -0.25 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 3hbl h GLN 414 Cb 1.25 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 3hbl h GLN 414 CO 0.34 -0.54 0.00 0.41 -0.95 0.00 0.00 178.83 178.09 3hbl n GLY 415 N -1.51 -1.59 2.88 3.46 0.00 -1.26 -4.31 105.19 102.86 3hbl n GLY 415 Ca -0.10 0.01 -0.49 0.00 0.00 0.00 0.00 46.02 45.44 3hbl n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl n ALA 416 N -1.79 -2.83 -2.96 4.61 0.00 -1.10 -4.62 120.51 111.82 3hbl n ALA 416 Ca 0.05 0.48 -0.36 0.00 0.00 0.00 0.00 53.44 53.60 3hbl n ALA 416 Cb 0.37 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 3hbl n ALA 416 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3hbl s GLU 417 N 0.31 3.74 -0.36 0.00 -1.05 -1.26 -2.09 118.70 117.99 3hbl s GLU 417 Ca 0.76 -0.44 -0.16 0.00 -0.15 0.00 0.00 54.97 54.97 3hbl s GLU 417 Cb -1.06 -3.32 -0.00 0.00 -0.44 0.00 0.00 34.13 29.31 3hbl s GLU 417 CO 0.49 -0.09 0.42 0.42 0.95 0.00 0.00 175.26 177.46 3hbl s ILE 418 N 1.35 5.11 -0.02 1.83 1.01 -0.32 -5.01 121.20 125.14 3hbl s ILE 418 Ca 0.05 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 3hbl s ILE 418 Cb -0.15 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 3hbl s ILE 418 CO 0.04 -0.20 0.50 -0.55 0.00 0.00 0.00 174.94 174.73 3hbl s SER 419 N 1.76 6.87 0.00 3.58 0.15 -1.26 -3.69 113.70 121.11 3hbl s SER 419 Ca 0.14 1.03 0.23 0.00 0.70 0.00 0.00 55.95 58.05 3hbl s SER 419 Cb -0.16 -2.31 1.04 0.00 -1.71 0.00 0.00 66.02 62.88 3hbl s SER 419 CO 0.13 0.17 1.75 -2.65 1.20 0.00 0.00 173.24 173.84 3hbl n PRO 420 N 2.52 0.09 0.00 5.44 -0.02 -1.26 -4.04 135.00 137.73 3hbl n PRO 420 Ca -0.10 0.09 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 3hbl n PRO 420 Cb 0.51 -1.50 0.52 0.00 -0.02 0.00 0.00 33.50 33.02 3hbl n PRO 420 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hbl n TYR 421 N -1.44 0.00 -4.43 6.00 4.01 -1.26 -4.80 117.16 115.24 3hbl n TYR 421 Ca 0.07 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.58 3hbl n TYR 421 Cb 0.25 -0.46 -0.10 0.00 -0.31 0.00 0.00 39.34 38.72 3hbl n TYR 421 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3hbl s TYR 422 N -2.92 2.13 -0.08 -0.72 1.51 -1.26 -4.48 117.35 111.53 3hbl s TYR 422 Ca 0.13 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.51 3hbl s TYR 422 Cb 0.16 -0.95 -0.07 0.00 -0.11 0.00 0.00 41.96 40.98 3hbl s TYR 422 CO 0.42 0.61 2.09 -0.25 -1.11 0.00 0.00 175.55 177.31 3hbl n ASP 423 N -0.48 3.75 -4.75 2.29 8.00 -1.26 -4.90 116.55 119.20 3hbl n ASP 423 Ca -0.06 0.58 -0.41 0.00 0.71 0.00 0.00 54.79 55.60 3hbl n ASP 423 Cb 0.60 -1.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.14 3hbl n ASP 423 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hbl s SER 424 N 6.24 6.65 -0.30 -2.24 0.15 -1.26 -5.01 113.70 117.93 3hbl s SER 424 Ca 0.95 2.68 -0.03 0.00 0.70 0.00 0.00 55.95 60.24 3hbl s SER 424 Cb -0.39 -2.62 0.19 0.00 -1.71 0.00 0.00 66.02 61.48 3hbl s SER 424 CO 0.39 -0.70 0.67 -0.22 1.20 0.00 0.00 173.24 174.58 3hbl s LEU 425 N -0.46 -1.24 -0.12 3.45 2.96 -1.26 -4.73 118.68 117.28 3hbl s LEU 425 Ca 0.59 0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 55.24 3hbl s LEU 425 Cb -0.42 2.05 -0.02 0.00 0.50 0.00 0.00 46.19 48.30 3hbl s LEU 425 CO 0.44 -0.23 -0.10 -0.07 -1.32 0.00 0.00 176.35 175.07 3hbl h LEU 426 N 8.00 0.00 -7.93 -0.68 3.38 -0.04 -2.10 115.31 115.94 3hbl h LEU 426 Ca -0.21 -0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.42 3hbl h LEU 426 Cb 1.16 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.63 3hbl h LEU 426 CO 0.20 0.65 -0.76 -0.69 0.09 0.00 0.00 178.44 177.94 3hbl s VAL 427 N -1.94 0.45 -0.36 1.22 1.01 -1.14 0.98 120.40 120.61 3hbl s VAL 427 Ca -0.08 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3hbl s VAL 427 Cb 0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 3hbl s VAL 427 CO 0.13 0.10 0.41 -0.75 0.00 0.00 0.00 175.10 174.99 3hbl s LYS 428 N -0.21 3.50 -0.16 2.72 2.20 0.11 -0.39 119.74 127.51 3hbl s LYS 428 Ca 0.02 -0.41 -0.00 0.00 -0.36 0.00 0.00 55.97 55.21 3hbl s LYS 428 Cb -0.03 -3.83 -0.00 0.00 -1.51 0.00 0.00 37.83 32.46 3hbl s LYS 428 CO -0.00 -0.61 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.06 3hbl s LEU 429 N 2.14 2.49 0.08 5.43 2.96 -0.64 -0.87 118.68 130.27 3hbl s LEU 429 Ca 0.14 -0.48 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 3hbl s LEU 429 Cb -0.16 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 3hbl s LEU 429 CO 0.12 0.06 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.56 3hbl s SER 430 N 0.93 2.69 0.13 3.68 0.01 -0.96 -1.43 113.70 118.76 3hbl s SER 430 Ca -0.03 -0.63 0.06 0.00 1.31 0.00 0.00 55.95 56.66 3hbl s SER 430 Cb -0.15 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 3hbl s SER 430 CO -0.02 0.13 -0.15 0.42 0.41 0.00 0.00 173.24 174.03 3hbl s THR 431 N -1.00 1.42 -0.18 1.44 -4.23 0.58 -1.66 115.64 112.01 3hbl s THR 431 Ca 0.08 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 58.80 3hbl s THR 431 Cb -0.10 -1.59 0.09 0.00 1.34 0.00 0.00 72.50 72.25 3hbl s THR 431 CO 0.04 -0.39 0.32 -2.28 -0.54 0.00 0.00 174.62 171.76 3hbl s HIS 432 N -2.11 -0.59 0.16 3.99 5.04 -0.25 -1.01 115.29 120.52 3hbl s HIS 432 Ca 0.10 0.97 -0.05 0.00 -1.54 0.00 0.00 55.06 54.54 3hbl s HIS 432 Cb -0.05 0.02 -0.02 0.00 0.04 0.00 0.00 32.58 32.56 3hbl s HIS 432 CO 0.04 -0.51 0.19 0.00 -2.34 0.00 0.00 174.74 172.12 3hbl s ALA 433 N 2.48 0.41 0.47 1.58 0.00 -0.82 -4.53 121.76 121.35 3hbl s ALA 433 Ca 0.04 -1.17 0.16 0.00 0.00 0.00 0.00 51.96 50.99 3hbl s ALA 433 Cb -0.13 0.90 1.14 0.00 0.00 0.00 0.00 23.12 25.03 3hbl s ALA 433 CO -0.12 -0.59 2.04 0.82 0.00 0.00 0.00 175.76 177.91 3hbl h ILE 434 N 2.67 0.92 -3.94 0.00 2.04 -1.91 0.63 117.51 117.92 3hbl h ILE 434 Ca -0.33 -0.09 -0.53 0.00 1.00 0.00 0.00 64.86 64.91 3hbl h ILE 434 Cb 1.22 0.65 -0.22 0.00 -0.74 0.00 0.00 36.82 37.73 3hbl h ILE 434 CO 0.52 0.05 -0.82 -0.94 0.00 0.00 0.00 178.15 176.96 3hbl s SER 435 N -6.50 2.37 0.25 1.72 1.04 -1.26 -4.12 113.70 107.20 3hbl s SER 435 Ca -0.07 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 55.64 3hbl s SER 435 Cb 0.19 -0.12 0.29 0.00 0.10 0.00 0.00 66.02 66.47 3hbl s SER 435 CO 0.72 0.04 1.92 0.15 0.98 0.00 0.00 173.24 177.05 3hbl h PHE 436 N 4.14 1.24 -0.30 5.02 3.57 -1.90 0.38 116.94 129.09 3hbl h PHE 436 Ca -0.45 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.14 3hbl h PHE 436 Cb 1.18 -0.42 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 3hbl h PHE 436 CO 0.62 0.75 -0.02 -0.22 -2.23 0.00 0.00 178.31 177.21 3hbl h LYS 437 N 1.32 0.06 -0.49 1.11 3.11 -1.96 0.49 116.57 120.20 3hbl h LYS 437 Ca 0.38 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 58.13 3hbl h LYS 437 Cb -0.09 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.11 3hbl h LYS 437 CO -0.10 0.04 -0.06 1.96 -2.81 0.00 0.00 179.45 178.48 3hbl h GLN 438 N 0.06 0.86 -0.39 1.90 4.20 -1.76 -2.90 115.11 117.09 3hbl h GLN 438 Ca 0.15 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 3hbl h GLN 438 Cb 0.21 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3hbl h GLN 438 CO -0.27 0.90 0.03 0.00 -0.67 0.00 0.00 178.83 178.82 3hbl h ALA 439 N 1.14 1.33 -0.41 3.87 0.00 0.39 -2.64 119.26 122.95 3hbl h ALA 439 Ca 0.14 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3hbl h ALA 439 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hbl h ALA 439 CO 0.03 0.46 -0.05 1.49 0.00 0.00 0.00 179.25 181.19 3hbl h GLU 440 N 0.58 0.76 -0.58 0.00 4.22 -0.81 -3.11 114.58 115.63 3hbl h GLU 440 Ca 0.12 -0.26 -0.08 0.00 0.08 0.00 0.00 59.36 59.22 3hbl h GLU 440 Cb 0.32 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3hbl h GLU 440 CO 0.01 0.86 0.06 0.93 -2.18 0.00 0.00 179.01 178.69 3hbl h GLU 441 N 0.58 0.98 -0.39 1.92 5.08 -1.28 -2.11 114.58 119.37 3hbl h GLU 441 Ca 0.11 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3hbl h GLU 441 Cb 0.55 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3hbl h GLU 441 CO 0.03 0.95 0.24 0.87 -1.00 0.00 0.00 179.01 180.10 3hbl h LYS 442 N 0.88 0.47 -0.01 2.33 1.57 -1.55 -2.09 116.57 118.17 3hbl h LYS 442 Ca 0.17 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3hbl h LYS 442 Cb 0.47 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 3hbl h LYS 442 CO 0.02 0.31 -0.35 1.98 -0.57 0.00 0.00 179.45 180.84 3hbl h MET 443 N 0.48 -0.48 -0.17 3.15 4.05 -1.43 -0.70 114.93 119.84 3hbl h MET 443 Ca 0.15 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.65 3hbl h MET 443 Cb -0.02 0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 30.82 3hbl h MET 443 CO -0.06 -0.32 -0.34 0.28 0.23 0.00 0.00 176.91 176.71 3hbl h VAL 444 N -0.50 0.26 -0.65 -5.77 2.07 -1.20 0.14 116.25 110.61 3hbl h VAL 444 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 3hbl h VAL 444 Cb 0.59 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3hbl h VAL 444 CO -0.28 0.00 0.39 -0.09 0.02 0.00 0.00 177.57 177.60 3hbl h ARG 445 N -0.39 0.72 -0.58 1.57 2.43 -1.22 0.13 114.38 117.05 3hbl h ARG 445 Ca 0.10 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3hbl h ARG 445 Cb 0.56 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3hbl h ARG 445 CO -0.38 0.48 0.27 0.77 -1.51 0.00 0.00 179.97 179.59 3hbl h SER 446 N 0.75 0.76 -0.68 -3.80 0.02 -0.54 0.46 113.55 110.51 3hbl h SER 446 Ca 0.27 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3hbl h SER 446 Cb 0.08 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3hbl h SER 446 CO -0.13 0.68 0.35 -0.07 -1.14 0.00 0.00 176.83 176.52 3hbl h LEU 447 N 0.78 0.89 0.00 5.07 3.38 0.02 -2.45 115.31 123.00 3hbl h LEU 447 Ca 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3hbl h LEU 447 Cb 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3hbl h LEU 447 CO -0.02 0.75 -0.32 0.03 0.09 0.00 0.00 178.44 178.97 3hbl h ARG 448 N 0.99 0.00 0.00 1.13 3.08 -0.22 -3.21 114.38 116.16 3hbl h ARG 448 Ca 0.24 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 3hbl h ARG 448 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3hbl h ARG 448 CO -0.03 0.10 -0.31 1.49 -1.07 0.00 0.00 179.97 180.15 3hbl h GLU 449 N 0.00 0.00 -7.24 0.04 4.81 0.18 -3.46 114.58 108.91 3hbl h GLU 449 Ca -0.01 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.72 3hbl h GLU 449 Cb 1.09 0.00 0.20 0.00 0.63 0.00 0.00 28.75 30.67 3hbl h GLU 449 CO 0.01 0.19 0.17 -1.64 -0.73 0.00 0.00 179.01 177.01 3hbl s MET 450 N -3.12 0.49 -0.27 1.92 -1.94 -0.95 -4.76 119.30 110.68 3hbl s MET 450 Ca 0.05 1.36 -0.06 0.00 -1.71 0.00 0.00 55.69 55.32 3hbl s MET 450 Cb 0.06 -1.68 0.14 0.00 2.01 0.00 0.00 34.83 35.36 3hbl s MET 450 CO 0.71 -2.93 0.56 1.03 -0.01 0.00 0.00 175.02 174.38 3hbl s ARG 451 N -4.60 0.49 -0.08 2.03 0.52 -0.82 -4.97 118.95 111.53 3hbl s ARG 451 Ca 0.67 1.15 0.01 0.00 -0.52 0.00 0.00 55.73 57.04 3hbl s ARG 451 Cb -0.23 0.53 0.02 0.00 0.52 0.00 0.00 34.95 35.78 3hbl s ARG 451 CO 0.60 -0.37 -0.10 0.42 0.02 0.00 0.00 175.30 175.87 3hbl s ILE 452 N 2.79 1.02 0.19 1.52 1.01 -1.26 -1.96 121.20 124.51 3hbl s ILE 452 Ca 0.04 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.40 3hbl s ILE 452 Cb -0.13 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 3hbl s ILE 452 CO -0.18 0.34 -0.17 -0.13 0.00 0.00 0.00 174.94 174.81 3hbl s ARG 453 N 1.02 1.33 0.00 2.79 1.81 -1.02 -4.76 118.95 120.12 3hbl s ARG 453 Ca -0.08 -1.52 0.00 0.00 -1.72 0.00 0.00 55.73 52.41 3hbl s ARG 453 Cb -0.15 -1.26 0.00 0.00 -0.45 0.00 0.00 34.95 33.09 3hbl s ARG 453 CO -0.00 0.23 0.00 0.41 -0.68 0.00 0.00 175.30 175.26 3hbl n GLY 454 N -0.11 1.55 3.23 -3.53 0.00 -1.26 -2.34 105.19 102.73 3hbl n GLY 454 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 3hbl n GLY 454 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hbl s VAL 455 N -2.64 -0.01 0.41 1.61 -7.23 -1.26 -4.50 120.40 106.77 3hbl s VAL 455 Ca 0.00 0.05 -0.26 0.00 -1.81 0.00 0.00 61.98 59.96 3hbl s VAL 455 Cb 0.00 -0.52 -0.08 0.00 0.56 0.00 0.00 36.38 36.33 3hbl s VAL 455 CO 0.00 0.02 1.26 -0.54 -0.31 0.00 0.00 175.10 175.53 3hbl s LYS 456 N 0.71 3.95 0.43 4.82 3.01 -1.26 -4.98 119.74 126.41 3hbl s LYS 456 Ca -0.04 2.06 0.04 0.00 -1.01 0.00 0.00 55.97 57.02 3hbl s LYS 456 Cb -0.05 -2.71 -0.05 0.00 -1.01 0.00 0.00 37.83 34.01 3hbl s LYS 456 CO -0.05 -0.48 0.03 0.95 0.51 0.00 0.00 175.35 176.31 3hbl s THR 457 N -1.31 1.43 -2.12 2.17 -4.23 -1.26 -4.45 115.64 105.87 3hbl s THR 457 Ca 0.58 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.27 3hbl s THR 457 Cb -0.36 -2.62 0.47 0.00 1.34 0.00 0.00 72.50 71.34 3hbl s THR 457 CO 0.46 0.00 1.42 -0.46 -0.54 0.00 0.00 174.62 175.50 3hbl n ASN 458 N -1.06 2.84 0.07 3.99 6.94 -0.95 -4.61 115.26 122.49 3hbl n ASN 458 Ca -0.09 -1.96 -0.12 0.00 -0.02 0.00 0.00 54.58 52.39 3hbl n ASN 458 Cb 0.67 -0.31 -0.05 0.00 -2.36 0.00 0.00 39.78 37.73 3hbl n ASN 458 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3hbl h ILE 459 N 3.28 0.40 -0.80 1.53 2.04 -1.87 -1.83 117.51 120.25 3hbl h ILE 459 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 3hbl h ILE 459 Cb 0.74 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 3hbl h ILE 459 CO 0.00 0.00 0.46 -0.65 0.00 0.00 0.00 178.15 177.96 3hbl h PRO 460 N -0.43 0.75 -0.28 2.37 0.11 -1.96 0.31 132.00 132.88 3hbl h PRO 460 Ca 0.05 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.16 3hbl h PRO 460 Cb 0.50 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 3hbl h PRO 460 CO -0.21 0.50 0.04 0.35 -0.21 0.00 0.00 178.00 178.46 3hbl h PHE 461 N 0.77 0.06 -0.63 0.65 3.57 -1.82 -2.24 116.94 117.30 3hbl h PHE 461 Ca 0.39 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.88 3hbl h PHE 461 Cb 0.35 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 3hbl h PHE 461 CO -0.07 0.00 0.31 -0.07 -2.23 0.00 0.00 178.31 176.25 3hbl h LEU 462 N 0.14 0.83 -0.10 0.59 3.38 -0.33 -2.37 115.31 117.45 3hbl h LEU 462 Ca 0.13 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3hbl h LEU 462 Cb 0.15 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3hbl h LEU 462 CO -0.19 0.73 -0.32 0.40 0.09 0.00 0.00 178.44 179.14 3hbl h ILE 463 N 0.87 0.29 -1.00 1.22 2.04 -0.17 -1.97 117.51 118.79 3hbl h ILE 463 Ca 0.22 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.16 3hbl h ILE 463 Cb 0.11 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 3hbl h ILE 463 CO -0.03 0.00 0.64 0.78 0.00 0.00 0.00 178.15 179.55 3hbl h ASN 464 N -0.42 1.01 -0.03 1.72 2.35 -1.29 -0.21 115.58 118.72 3hbl h ASN 464 Ca 0.09 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3hbl h ASN 464 Cb 0.55 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 3hbl h ASN 464 CO -0.33 0.62 -0.10 0.58 -1.65 0.00 0.00 177.43 176.55 3hbl h VAL 465 N 1.13 0.75 0.00 2.81 2.07 -0.88 0.50 116.25 122.63 3hbl h VAL 465 Ca 0.44 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.91 3hbl h VAL 465 Cb 0.24 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3hbl h VAL 465 CO -0.19 0.00 -0.25 0.24 0.02 0.00 0.00 177.57 177.39 3hbl h MET 466 N -0.15 0.00 0.03 1.57 2.86 -1.01 -3.05 114.93 115.17 3hbl h MET 466 Ca 0.05 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.47 3hbl h MET 466 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3hbl h MET 466 CO -0.12 0.25 -1.03 -0.22 1.06 0.00 0.00 176.91 176.86 3hbl h LYS 467 N 0.00 0.07 -6.90 1.72 3.11 -0.42 -3.45 116.57 110.69 3hbl h LYS 467 Ca -0.00 -0.11 -0.51 0.00 -2.81 0.00 0.00 60.65 57.21 3hbl h LYS 467 Cb 0.66 0.04 0.05 0.00 -1.00 0.00 0.00 32.23 31.98 3hbl h LYS 467 CO 0.03 1.03 0.55 1.21 -2.81 0.00 0.00 179.45 179.46 3hbl s ASN 468 N -6.82 6.68 0.00 4.20 3.04 0.11 -4.94 114.94 117.21 3hbl s ASN 468 Ca -0.00 2.47 0.26 0.00 0.04 0.00 0.00 52.86 55.63 3hbl s ASN 468 Cb 0.09 -2.63 0.78 0.00 -1.54 0.00 0.00 41.25 37.96 3hbl s ASN 468 CO 0.83 -0.57 1.59 1.17 -3.04 0.00 0.00 177.10 177.07 3hbl n LYS 469 N 0.46 0.53 0.11 0.43 4.81 -1.26 -2.26 118.16 120.98 3hbl n LYS 469 Ca 0.02 -0.29 0.12 0.00 -0.87 0.00 0.00 58.31 57.30 3hbl n LYS 469 Cb 0.45 -1.49 0.45 0.00 0.02 0.00 0.00 35.03 34.45 3hbl n LYS 469 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3hbl n LYS 470 N -0.98 0.22 -0.08 1.64 4.76 -1.26 -1.93 118.16 120.52 3hbl n LYS 470 Ca 0.10 0.30 -0.19 0.00 -2.87 0.00 0.00 58.31 55.65 3hbl n LYS 470 Cb 0.33 -1.82 -0.13 0.00 -1.84 0.00 0.00 35.03 31.58 3hbl n LYS 470 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3hbl n PHE 471 N -2.21 0.45 0.25 2.13 -0.00 -1.11 -4.34 117.46 112.63 3hbl n PHE 471 Ca 0.04 0.10 0.11 0.00 -0.00 0.00 0.00 57.45 57.70 3hbl n PHE 471 Cb 0.34 -1.06 0.63 0.00 -0.00 0.00 0.00 39.48 39.39 3hbl n PHE 471 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3hbl h THR 472 N 0.02 0.67 0.00 -2.13 2.02 -1.39 -2.46 112.91 109.65 3hbl h THR 472 Ca -0.52 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 65.94 3hbl h THR 472 Cb 1.96 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 3hbl h THR 472 CO -0.02 0.17 0.00 0.77 0.37 0.00 0.00 175.52 176.81 3hbl h SER 473 N 0.00 0.00 0.00 4.18 4.64 -1.61 -3.47 113.55 117.29 3hbl h SER 473 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hbl h SER 473 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3hbl h SER 473 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3hbl n GLY 474 N 0.19 3.09 3.48 -0.77 0.00 -0.93 -4.86 105.19 105.39 3hbl n GLY 474 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3hbl n GLY 474 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hbl s ASP 475 N -1.13 6.16 -0.20 1.61 -0.00 -1.26 -4.61 116.67 117.24 3hbl s ASP 475 Ca 0.00 -0.71 -0.27 0.00 -0.00 0.00 0.00 52.55 51.56 3hbl s ASP 475 Cb 0.00 -2.19 0.08 0.00 -0.00 0.00 0.00 42.92 40.80 3hbl s ASP 475 CO 0.00 -0.50 0.76 -0.72 -0.00 0.00 0.00 175.17 174.71 3hbl s TYR 476 N 1.94 -0.69 0.55 4.23 1.13 -1.26 -4.74 117.35 118.50 3hbl s TYR 476 Ca 0.09 1.53 0.07 0.00 -1.41 0.00 0.00 57.07 57.35 3hbl s TYR 476 Cb -0.18 0.33 0.05 0.00 -1.10 0.00 0.00 41.96 41.06 3hbl s TYR 476 CO 0.12 -0.43 0.52 -0.08 -2.51 0.00 0.00 175.55 173.16 3hbl s THR 477 N -0.19 1.86 -0.05 -3.49 -1.32 -1.26 -4.84 115.64 106.34 3hbl s THR 477 Ca -0.03 -1.34 0.27 0.00 -1.21 0.00 0.00 61.69 59.38 3hbl s THR 477 Cb -0.03 -2.19 0.28 0.00 -1.51 0.00 0.00 72.50 69.04 3hbl s THR 477 CO 0.03 0.00 1.84 0.71 -2.21 0.00 0.00 174.62 174.99 3hbl h THR 478 N 0.60 0.00 -0.67 5.08 1.35 -1.43 -2.03 112.91 115.81 3hbl h THR 478 Ca -0.35 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3hbl h THR 478 Cb 1.30 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3hbl h THR 478 CO 0.52 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.08 3hbl n LYS 479 N -2.47 3.08 -0.20 4.72 5.02 -1.26 -4.50 118.16 122.54 3hbl n LYS 479 Ca -0.01 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 3hbl n LYS 479 Cb 0.09 -1.69 0.11 0.00 -0.02 0.00 0.00 35.03 33.51 3hbl n LYS 479 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3hbl h PHE 480 N 4.04 0.38 -0.28 2.13 3.57 -1.69 0.28 116.94 125.37 3hbl h PHE 480 Ca 0.00 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.34 3hbl h PHE 480 Cb 1.15 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.81 3hbl h PHE 480 CO 0.59 0.09 -0.56 0.82 -2.23 0.00 0.00 178.31 177.02 3hbl h ILE 481 N 0.40 1.27 -0.62 1.41 2.04 -1.83 -2.98 117.51 117.19 3hbl h ILE 481 Ca 0.31 -1.74 0.04 0.00 1.00 0.00 0.00 64.86 64.47 3hbl h ILE 481 Cb 0.40 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 3hbl h ILE 481 CO -0.32 0.57 0.36 -0.33 0.00 0.00 0.00 178.15 178.43 3hbl h GLU 482 N 0.66 0.67 -0.13 2.37 5.08 -1.65 -2.33 114.58 119.25 3hbl h GLU 482 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hbl h GLU 482 Cb 1.17 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3hbl h GLU 482 CO 0.12 0.44 0.00 0.39 -1.00 0.00 0.00 179.01 178.96 3hbl n GLU 483 N -4.77 1.38 -3.81 2.33 1.02 0.93 -4.54 120.64 113.18 3hbl n GLU 483 Ca 0.07 -0.59 -0.30 0.00 -0.02 0.00 0.00 57.16 56.32 3hbl n GLU 483 Cb 0.13 -1.23 -0.14 0.00 -0.02 0.00 0.00 31.44 30.18 3hbl n GLU 483 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hbl s THR 484 N -1.83 1.82 0.21 2.62 2.01 -0.88 -4.94 115.64 114.65 3hbl s THR 484 Ca 0.20 -2.74 0.09 0.00 0.31 0.00 0.00 61.69 59.55 3hbl s THR 484 Cb 0.10 -2.28 -0.10 0.00 0.01 0.00 0.00 72.50 70.23 3hbl s THR 484 CO 0.15 -0.83 1.48 1.55 -0.69 0.00 0.00 174.62 176.27 3hbl h PRO 485 N 6.77 0.00 0.00 4.92 0.13 -1.80 -3.23 132.00 138.80 3hbl h PRO 485 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3hbl h PRO 485 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3hbl h PRO 485 CO 0.55 0.77 0.00 -0.85 -0.23 0.00 0.00 178.00 178.25 3hbl n GLU 486 N -3.61 0.24 0.13 0.86 0.00 -1.26 -2.94 120.64 114.06 3hbl n GLU 486 Ca -0.01 0.08 0.10 0.00 0.00 0.00 0.00 57.16 57.33 3hbl n GLU 486 Cb 0.75 -1.50 0.49 0.00 0.00 0.00 0.00 31.44 31.18 3hbl n GLU 486 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3hbl n LEU 487 N -1.35 0.53 -2.27 -1.84 7.94 -1.22 -2.28 117.00 116.51 3hbl n LEU 487 Ca 0.09 0.70 -0.32 0.00 -1.11 0.00 0.00 56.01 55.38 3hbl n LEU 487 Cb 0.21 -0.71 0.06 0.00 0.53 0.00 0.00 43.42 43.51 3hbl n LEU 487 CO 0.19 -0.76 1.03 0.49 -1.11 0.00 0.00 177.39 177.24 3hbl n PHE 488 N -2.16 3.08 -2.12 1.96 3.01 -1.15 -4.81 117.46 115.27 3hbl n PHE 488 Ca 0.00 -2.75 -0.42 0.00 1.01 0.00 0.00 57.45 55.29 3hbl n PHE 488 Cb 0.10 -1.06 -0.03 0.00 -0.01 0.00 0.00 39.48 38.48 3hbl n PHE 488 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3hbl s ASP 489 N -2.38 6.76 -1.05 4.37 -0.00 -0.97 -4.93 116.67 118.48 3hbl s ASP 489 Ca 0.60 2.28 -0.23 0.00 -0.00 0.00 0.00 52.55 55.19 3hbl s ASP 489 Cb 0.47 -2.57 -0.00 0.00 -0.00 0.00 0.00 42.92 40.82 3hbl s ASP 489 CO -0.02 -0.76 1.75 0.27 -0.00 0.00 0.00 175.17 176.40 3hbl s ILE 490 N 2.23 3.72 -0.29 0.77 -4.36 -1.26 -4.96 121.20 117.06 3hbl s ILE 490 Ca 0.67 -0.82 -0.26 0.00 -0.26 0.00 0.00 60.65 59.98 3hbl s ILE 490 Cb -0.35 -4.62 0.01 0.00 1.25 0.00 0.00 42.46 38.74 3hbl s ILE 490 CO 0.29 -1.44 0.93 0.00 0.24 0.00 0.00 174.94 174.95 3hbl s GLN 491 N 5.84 4.09 0.11 0.37 -2.07 -1.26 -4.98 119.66 121.75 3hbl s GLN 491 Ca 0.59 0.93 -0.29 0.00 -1.82 0.00 0.00 55.36 54.78 3hbl s GLN 491 Cb -0.02 -3.70 -0.09 0.00 -1.09 0.00 0.00 33.01 28.11 3hbl s GLN 491 CO -0.00 -0.71 1.62 -1.00 -1.32 0.00 0.00 175.29 173.88 3hbl h PRO 492 N 7.91 -0.54 -4.60 9.60 0.13 -2.05 -3.49 132.00 138.96 3hbl h PRO 492 Ca -0.22 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3hbl h PRO 492 Cb 1.08 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3hbl h PRO 492 CO 0.94 -0.36 -0.30 -1.13 -0.23 0.00 0.00 178.00 176.92 3hbl n SER 493 N -5.42 -6.16 -4.80 1.44 3.41 -1.26 -5.05 113.62 95.79 3hbl n SER 493 Ca -0.07 0.32 -0.32 0.00 -0.26 0.00 0.00 58.87 58.54 3hbl n SER 493 Cb 0.33 -4.07 0.02 0.00 -0.26 0.00 0.00 64.21 60.23 3hbl n SER 493 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hbl s LEU 494 N -2.30 3.42 -0.48 1.04 0.20 -1.26 -5.05 118.68 114.26 3hbl s LEU 494 Ca 0.15 1.80 0.03 0.00 0.69 0.00 0.00 54.13 56.81 3hbl s LEU 494 Cb -0.04 -4.53 0.13 0.00 -0.43 0.00 0.00 46.19 41.31 3hbl s LEU 494 CO 0.54 -1.27 0.23 -0.62 -0.29 0.00 0.00 176.35 174.94 3hbl s ASP 495 N -2.93 4.52 0.00 3.68 -1.08 -1.26 -5.03 116.67 114.57 3hbl s ASP 495 Ca 0.63 -2.78 0.00 0.00 -0.52 0.00 0.00 52.55 49.88 3hbl s ASP 495 Cb -0.16 -1.66 0.00 0.00 -1.46 0.00 0.00 42.92 39.64 3hbl s ASP 495 CO 0.40 -0.28 0.20 0.54 0.52 0.00 0.00 175.17 176.55 3hbl n ARG 496 N 3.43 0.00 -0.24 4.34 1.74 -1.26 -3.95 116.66 120.72 3hbl n ARG 496 Ca 0.05 0.17 0.11 0.00 -0.77 0.00 0.00 57.85 57.41 3hbl n ARG 496 Cb 0.35 -0.82 0.21 0.00 -1.02 0.00 0.00 32.46 31.18 3hbl n ARG 496 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hbl n GLY 497 N 1.43 -0.92 0.19 -0.13 0.00 -1.26 0.20 105.19 104.71 3hbl n GLY 497 Ca 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 46.02 46.66 3hbl n GLY 497 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hbl h THR 498 N 0.00 0.82 -0.40 2.61 2.02 -2.00 0.23 112.91 116.19 3hbl h THR 498 Ca 0.43 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.46 3hbl h THR 498 Cb 0.90 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3hbl h THR 498 CO -0.65 0.06 0.06 0.11 0.37 0.00 0.00 175.52 175.48 3hbl h LYS 499 N 0.32 0.61 -0.18 6.66 1.57 -0.37 -1.19 116.57 123.98 3hbl h LYS 499 Ca 0.23 -0.12 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 3hbl h LYS 499 Cb 0.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3hbl h LYS 499 CO -0.25 0.59 -0.66 1.15 -0.57 0.00 0.00 179.45 179.71 3hbl h THR 500 N 0.59 1.30 -0.06 -0.16 2.02 -1.14 -1.74 112.91 113.72 3hbl h THR 500 Ca 0.13 -1.90 -0.03 0.00 0.77 0.00 0.00 66.41 65.38 3hbl h THR 500 Cb 0.28 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3hbl h THR 500 CO 0.00 0.60 -0.09 -0.07 0.37 0.00 0.00 175.52 176.33 3hbl h LEU 501 N 0.50 0.09 0.01 2.58 3.38 -0.05 -2.37 115.31 119.45 3hbl h LEU 501 Ca -0.02 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 3hbl h LEU 501 Cb 1.26 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 42.00 3hbl h LEU 501 CO 0.13 0.20 -0.96 -0.33 0.09 0.00 0.00 178.44 177.57 3hbl h GLU 502 N 0.09 0.63 0.96 1.13 5.08 -1.03 -1.86 114.58 119.57 3hbl h GLU 502 Ca 0.02 -0.69 -0.05 0.00 -1.00 0.00 0.00 59.36 57.64 3hbl h GLU 502 Cb 0.23 0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3hbl h GLU 502 CO 0.01 1.28 -0.49 -0.92 -1.00 0.00 0.00 179.01 177.89 3hbl h TYR 503 N 0.26 -1.29 -0.70 4.33 5.03 -1.06 0.47 116.97 124.02 3hbl h TYR 503 Ca -0.12 -0.03 0.14 0.00 2.58 0.00 0.00 58.73 61.31 3hbl h TYR 503 Cb 1.63 0.44 -0.10 0.00 1.55 0.00 0.00 36.73 40.24 3hbl h TYR 503 CO 0.12 -0.78 0.18 0.82 -1.32 0.00 0.00 178.16 177.18 3hbl h ILE 504 N -1.33 0.57 -0.83 1.81 2.04 -1.55 -1.03 117.51 117.18 3hbl h ILE 504 Ca -0.13 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.67 3hbl h ILE 504 Cb 1.03 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3hbl h ILE 504 CO 0.19 0.05 0.53 1.23 0.00 0.00 0.00 178.15 180.16 3hbl h GLY 505 N 0.29 1.22 0.75 5.37 0.00 -1.06 -0.97 103.07 108.67 3hbl h GLY 505 Ca 0.39 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 3hbl h GLY 505 CO -0.47 0.33 -0.21 -0.57 0.00 0.00 0.00 176.54 175.62 3hbl h ASN 506 N 1.02 0.43 0.50 0.19 -0.00 0.31 -2.93 115.58 115.11 3hbl h ASN 506 Ca 0.34 -0.53 -0.09 0.00 -0.00 0.00 0.00 56.30 56.02 3hbl h ASN 506 Cb 0.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.22 3hbl h ASN 506 CO -0.12 0.87 -0.43 0.58 -0.00 0.00 0.00 177.43 178.33 3hbl h VAL 507 N -0.00 1.23 -0.21 2.57 2.07 -1.17 0.18 116.25 120.91 3hbl h VAL 507 Ca 0.01 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 65.97 3hbl h VAL 507 Cb 0.78 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3hbl h VAL 507 CO 0.05 0.42 -0.11 0.74 0.02 0.00 0.00 177.57 178.69 3hbl h THR 508 N 0.00 1.31 0.17 2.57 2.02 -1.19 -1.94 112.91 115.84 3hbl h THR 508 Ca -0.00 -1.17 -0.33 0.00 0.77 0.00 0.00 66.41 65.67 3hbl h THR 508 Cb 0.79 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 3hbl h THR 508 CO 0.06 0.36 -1.68 0.40 0.37 0.00 0.00 175.52 175.02 3hbl h ILE 509 N 0.15 0.94 -0.02 3.11 2.04 -1.44 -3.40 117.51 118.89 3hbl h ILE 509 Ca 0.05 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.44 3hbl h ILE 509 Cb 0.60 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 3hbl h ILE 509 CO 0.03 0.82 0.00 0.59 0.00 0.00 0.00 178.15 179.60 3hbl n ASN 510 N -3.67 2.09 0.00 1.72 3.02 0.63 -4.86 115.26 114.18 3hbl n ASN 510 Ca -0.25 -1.54 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 3hbl n ASN 510 Cb 1.03 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.19 3hbl n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbl n GLY 511 N 0.72 -1.37 3.39 7.41 0.00 -0.73 -4.97 105.19 109.64 3hbl n GLY 511 Ca 0.08 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 3hbl n GLY 511 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hbl s PHE 512 N 0.00 -0.65 0.16 1.61 5.36 -1.26 -4.27 117.98 118.93 3hbl s PHE 512 Ca 0.00 1.45 -0.32 0.00 -0.96 0.00 0.00 56.93 57.10 3hbl s PHE 512 Cb 0.00 0.29 -0.17 0.00 -0.34 0.00 0.00 43.02 42.80 3hbl s PHE 512 CO 0.00 -0.34 0.86 -2.30 -1.46 0.00 0.00 175.22 171.98 3hbl n PRO 513 N 3.57 0.43 -0.97 10.12 -0.02 -1.26 -2.04 135.00 144.84 3hbl n PRO 513 Ca -0.18 0.15 -0.02 0.00 -2.02 0.00 0.00 63.50 61.43 3hbl n PRO 513 Cb 0.56 -1.43 -0.01 0.00 -0.02 0.00 0.00 33.50 32.61 3hbl n PRO 513 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hbl n ASN 515 N 1.80 -5.37 -4.31 2.55 3.02 -1.26 -4.95 115.26 106.75 3hbl n ASN 515 Ca 0.17 0.05 -0.34 0.00 -0.03 0.00 0.00 54.58 54.43 3hbl n ASN 515 Cb 0.22 -3.33 -0.14 0.00 -0.61 0.00 0.00 39.78 35.91 3hbl n ASN 515 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hbl s VAL 516 N -1.07 3.04 -0.31 2.41 1.01 -0.86 -4.84 120.40 119.78 3hbl s VAL 516 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 3hbl s VAL 516 Cb 0.00 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 3hbl s VAL 516 CO 0.00 0.49 2.28 1.21 0.00 0.00 0.00 175.10 179.07 3hbl n GLU 517 N 4.18 1.61 -1.49 2.72 2.13 -1.26 -4.61 120.64 123.92 3hbl n GLU 517 Ca -0.19 0.37 -0.44 0.00 0.66 0.00 0.00 57.16 57.56 3hbl n GLU 517 Cb 0.52 -3.18 -0.07 0.00 0.27 0.00 0.00 31.44 28.97 3hbl n GLU 517 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3hbl n LYS 518 N 8.77 0.89 -3.57 5.31 3.00 -1.26 -4.87 118.16 126.42 3hbl n LYS 518 Ca 0.34 0.16 -0.11 0.00 -0.00 0.00 0.00 58.31 58.69 3hbl n LYS 518 Cb 0.44 -2.59 -0.03 0.00 0.00 0.00 0.00 35.03 32.84 3hbl n LYS 518 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3hbl s ARG 519 N 7.38 1.22 0.66 1.64 1.70 -1.26 -5.16 118.95 125.14 3hbl s ARG 519 Ca 1.11 -0.65 -0.17 0.00 -0.47 0.00 0.00 55.73 55.55 3hbl s ARG 519 Cb -0.71 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.19 3hbl s ARG 519 CO 0.42 -0.51 1.23 -0.35 -1.08 0.00 0.00 175.30 175.01 3hbl n PRO 520 N -0.31 0.97 -1.51 3.89 -0.04 -1.26 -4.80 135.00 131.93 3hbl n PRO 520 Ca -0.15 0.39 -0.52 0.00 -0.04 0.00 0.00 63.50 63.18 3hbl n PRO 520 Cb 0.64 -2.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.56 3hbl n PRO 520 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3hbl n LYS 521 N -1.93 1.19 -1.72 0.54 4.81 -1.26 -4.88 118.16 114.91 3hbl n LYS 521 Ca 0.15 0.37 -0.35 0.00 -0.87 0.00 0.00 58.31 57.61 3hbl n LYS 521 Cb 0.48 -2.40 0.06 0.00 0.02 0.00 0.00 35.03 33.20 3hbl n LYS 521 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3hbl s PRO 522 N 5.50 2.55 0.21 1.64 0.02 -1.26 -4.98 135.00 138.68 3hbl s PRO 522 Ca 1.06 1.83 -0.30 0.00 0.02 0.00 0.00 61.00 63.61 3hbl s PRO 522 Cb -0.89 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 31.67 3hbl s PRO 522 CO 0.53 -1.54 1.14 0.34 -0.33 0.00 0.00 177.00 177.14 3hbl s ASP 523 N -1.77 7.18 0.03 2.53 2.15 -1.26 -5.05 116.67 120.49 3hbl s ASP 523 Ca 0.77 2.21 0.07 0.00 0.43 0.00 0.00 52.55 56.03 3hbl s ASP 523 Cb -0.31 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 39.68 3hbl s ASP 523 CO 0.40 -0.27 -0.20 -0.31 -0.17 0.00 0.00 175.17 174.62 3hbl s TYR 524 N -0.43 1.77 0.76 -5.34 1.51 -1.26 -5.12 117.35 109.24 3hbl s TYR 524 Ca 0.49 -0.37 -0.14 0.00 -1.01 0.00 0.00 57.07 56.05 3hbl s TYR 524 Cb -0.32 -1.07 0.06 0.00 -0.11 0.00 0.00 41.96 40.53 3hbl s TYR 524 CO 0.38 0.07 1.19 -1.21 -1.11 0.00 0.00 175.55 174.86 3hbl s GLU 525 N -1.06 1.97 -0.07 -0.62 8.01 -1.26 -4.97 118.70 120.70 3hbl s GLU 525 Ca 0.07 1.69 -0.30 0.00 0.01 0.00 0.00 54.97 56.45 3hbl s GLU 525 Cb -0.09 -1.82 -0.02 0.00 -4.31 0.00 0.00 34.13 27.89 3hbl s GLU 525 CO 0.01 -1.95 1.04 -0.51 0.01 0.00 0.00 175.26 173.86 3hbl s LEU 526 N -5.43 4.28 -0.38 1.80 1.43 -1.26 -5.01 118.68 114.12 3hbl s LEU 526 Ca 0.72 1.62 -0.22 0.00 -1.03 0.00 0.00 54.13 55.23 3hbl s LEU 526 Cb -0.27 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.40 3hbl s LEU 526 CO 0.48 -0.43 0.71 0.00 0.23 0.00 0.00 176.35 177.34 3hbl s ALA 527 N 1.78 3.41 0.05 4.21 0.00 -1.26 -5.02 121.76 124.92 3hbl s ALA 527 Ca 0.51 -0.85 -0.31 0.00 0.00 0.00 0.00 51.96 51.31 3hbl s ALA 527 Cb -0.20 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 3hbl s ALA 527 CO 0.21 -1.52 1.48 -1.54 0.00 0.00 0.00 175.76 174.39 3hbl s SER 528 N 1.88 6.76 -0.49 0.00 1.04 -1.26 -4.99 113.70 116.64 3hbl s SER 528 Ca 0.27 2.28 -0.09 0.00 0.48 0.00 0.00 55.95 58.90 3hbl s SER 528 Cb -0.14 -2.57 0.13 0.00 0.10 0.00 0.00 66.02 63.54 3hbl s SER 528 CO 0.17 -0.76 0.36 -0.63 0.98 0.00 0.00 173.24 173.36 3hbl s ILE 529 N 2.20 4.20 0.31 -1.02 1.01 -1.26 -4.82 121.20 121.82 3hbl s ILE 529 Ca 0.67 -1.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.13 3hbl s ILE 529 Cb -0.35 -3.76 -0.11 0.00 0.01 0.00 0.00 42.46 38.25 3hbl s ILE 529 CO 0.29 -0.79 1.47 -2.16 0.00 0.00 0.00 174.94 173.75 3hbl s PRO 530 N 1.22 4.21 -0.03 2.79 0.04 -1.26 -5.01 135.00 136.97 3hbl s PRO 530 Ca 0.07 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.53 3hbl s PRO 530 Cb -0.25 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.27 3hbl s PRO 530 CO -0.01 -0.46 0.01 0.99 0.04 0.00 0.00 177.00 177.57 3hbl s THR 531 N -0.48 0.09 -0.02 1.26 2.01 -1.26 -4.23 115.64 113.01 3hbl s THR 531 Ca 0.57 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.76 3hbl s THR 531 Cb -0.44 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 3hbl s THR 531 CO 0.51 0.13 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.72 3hbl s VAL 532 N 1.09 2.93 0.64 3.82 1.01 -1.26 -4.93 120.40 123.69 3hbl s VAL 532 Ca -0.09 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 3hbl s VAL 532 Cb -0.13 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 3hbl s VAL 532 CO -0.02 0.52 1.19 -0.94 0.00 0.00 0.00 175.10 175.84 3hbl s SER 533 N -0.93 4.95 0.48 3.32 1.04 -1.26 -4.82 113.70 116.49 3hbl s SER 533 Ca 0.12 2.30 0.29 0.00 0.48 0.00 0.00 55.95 59.14 3hbl s SER 533 Cb -0.11 -2.59 0.96 0.00 0.10 0.00 0.00 66.02 64.39 3hbl s SER 533 CO 0.02 -1.75 1.83 0.77 0.98 0.00 0.00 173.24 175.09 3hbl h SER 534 N 0.45 0.00 0.33 7.02 4.64 -1.99 -2.83 113.55 121.17 3hbl h SER 534 Ca -0.49 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.54 3hbl h SER 534 Cb 1.29 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.39 3hbl h SER 534 CO 0.54 0.00 -1.23 0.77 -0.87 0.00 0.00 176.83 176.04 3hbl h SER 535 N 0.00 0.68 -0.84 4.97 4.64 -1.98 -0.79 113.55 120.24 3hbl h SER 535 Ca 0.00 -0.66 -0.01 0.00 -0.47 0.00 0.00 61.79 60.65 3hbl h SER 535 Cb 0.68 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 3hbl h SER 535 CO 0.00 1.48 0.48 0.50 -0.87 0.00 0.00 176.83 178.42 3hbl h LYS 536 N 0.19 1.16 -0.17 4.77 3.64 -1.92 -2.14 116.57 122.10 3hbl h LYS 536 Ca -0.16 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 58.95 3hbl h LYS 536 Cb 1.91 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.49 3hbl h LYS 536 CO 0.22 0.84 -0.50 0.82 -2.27 0.00 0.00 179.45 178.55 3hbl h ILE 537 N 1.16 1.33 0.00 2.00 2.04 -1.54 -2.93 117.51 119.57 3hbl h ILE 537 Ca 0.30 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.40 3hbl h ILE 537 Cb 0.00 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3hbl h ILE 537 CO -0.05 0.53 -0.07 0.00 0.00 0.00 0.00 178.15 178.56 3hbl h ALA 538 N 1.09 1.16 0.00 1.87 0.00 -0.77 -2.29 119.26 120.32 3hbl h ALA 538 Ca 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3hbl h ALA 538 Cb 1.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3hbl h ALA 538 CO 0.09 0.09 -0.48 0.66 0.00 0.00 0.00 179.25 179.61 3hbl h SER 538 N 0.00 0.00 -4.10 0.00 4.64 -1.21 -3.47 113.55 109.42 3hbl h SER 538 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3hbl h SER 538 Cb 0.32 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.52 3hbl h SER 538 CO 0.01 0.26 0.48 -0.36 -0.87 0.00 0.00 176.83 176.35 3hbl s PHE 538 N -3.10 2.36 -0.28 4.77 2.99 -0.86 -5.02 117.98 118.84 3hbl s PHE 538 Ca 0.04 1.51 -0.03 0.00 0.00 0.00 0.00 56.93 58.45 3hbl s PHE 538 Cb 0.07 -3.51 0.09 0.00 0.00 0.00 0.00 43.02 39.67 3hbl s PHE 538 CO 0.73 -2.31 0.10 0.45 -0.00 0.00 0.00 175.22 174.19 3hbl s SER 539 N -1.55 3.56 0.00 1.36 0.15 -1.26 -4.88 113.70 111.08 3hbl s SER 539 Ca 0.78 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 56.12 3hbl s SER 539 Cb -0.31 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 3hbl s SER 539 CO 0.34 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.99 3hbl n GLY 540 N 5.06 5.49 0.23 9.45 0.00 -1.19 -4.96 105.19 119.27 3hbl n GLY 540 Ca -0.05 -1.84 0.04 0.00 0.00 0.00 0.00 46.02 44.17 3hbl n GLY 540 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hbl h THR 541 N 0.00 1.16 -0.02 2.61 1.35 -1.71 -1.67 112.91 114.63 3hbl h THR 541 Ca 0.00 -0.73 0.03 0.00 -0.55 0.00 0.00 66.41 65.16 3hbl h THR 541 Cb 0.00 1.32 -0.05 0.00 -1.73 0.00 0.00 68.15 67.69 3hbl h THR 541 CO 0.00 0.22 -0.30 0.50 -0.25 0.00 0.00 175.52 175.69 3hbl h LYS 542 N 0.08 -0.42 -0.88 4.72 3.11 -1.68 -1.87 116.57 119.64 3hbl h LYS 542 Ca 0.02 0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.90 3hbl h LYS 542 Cb 0.37 0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 31.64 3hbl h LYS 542 CO 0.02 -0.28 0.58 1.96 -2.81 0.00 0.00 179.45 178.93 3hbl h GLN 543 N -0.43 1.12 -0.69 1.90 7.50 -1.53 -2.41 115.11 120.58 3hbl h GLN 543 Ca 0.07 -0.07 0.01 0.00 0.50 0.00 0.00 58.65 59.16 3hbl h GLN 543 Cb 0.53 -0.25 -0.04 0.00 0.05 0.00 0.00 27.48 27.77 3hbl h GLN 543 CO -0.27 0.74 0.46 1.25 -1.50 0.00 0.00 178.83 179.51 3hbl h LEU 544 N 1.16 0.78 -1.12 1.46 5.85 -1.12 -1.93 115.31 120.39 3hbl h LEU 544 Ca 0.34 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 3hbl h LEU 544 Cb -0.08 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 3hbl h LEU 544 CO -0.09 0.57 0.49 0.25 -0.34 0.00 0.00 178.44 179.32 3hbl h LEU 545 N 0.93 0.97 -1.03 2.25 5.85 -0.86 0.16 115.31 123.57 3hbl h LEU 545 Ca 0.26 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 3hbl h LEU 545 Cb -0.10 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 3hbl h LEU 545 CO -0.06 0.74 -0.27 0.44 -0.34 0.00 0.00 178.44 178.95 3hbl h ASP 546 N 1.12 0.36 0.18 1.25 3.32 -1.08 -1.34 116.42 120.23 3hbl h ASP 546 Ca 0.29 -0.12 -0.35 0.00 0.02 0.00 0.00 57.03 56.87 3hbl h ASP 546 Cb -0.06 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.40 3hbl h ASP 546 CO -0.06 0.63 -1.74 -0.33 -1.72 0.00 0.00 179.24 176.03 3hbl h GLU 547 N 0.32 0.39 0.00 3.56 4.39 -0.67 -3.42 114.58 119.15 3hbl h GLU 547 Ca 0.05 -0.66 0.00 0.00 0.34 0.00 0.00 59.36 59.09 3hbl h GLU 547 Cb 0.65 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3hbl h GLU 547 CO 0.05 1.32 -1.05 1.33 -1.16 0.00 0.00 179.01 179.49 3hbl n VAL 548 N -3.62 0.00 0.00 3.13 0.24 0.50 -5.11 118.33 113.48 3hbl n VAL 548 Ca -0.25 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 3hbl n VAL 548 Cb 1.06 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 3hbl n VAL 548 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hbl n GLY 549 N 1.82 -0.54 0.35 7.63 0.00 -0.51 -3.80 105.19 110.14 3hbl n GLY 549 Ca -0.01 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.27 3hbl n GLY 549 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hbl h PRO 550 N 0.00 1.09 -0.17 1.61 0.11 -1.82 -1.52 132.00 131.31 3hbl h PRO 550 Ca 0.00 -0.07 -0.22 0.00 0.11 0.00 0.00 66.00 65.83 3hbl h PRO 550 Cb 0.00 -0.25 0.01 0.00 0.11 0.00 0.00 31.00 30.87 3hbl h PRO 550 CO 0.00 0.72 -0.75 0.87 -0.21 0.00 0.00 178.00 178.63 3hbl h LYS 551 N 1.13 0.79 -0.89 1.05 1.57 -1.95 -2.03 116.57 116.23 3hbl h LYS 551 Ca 0.39 -0.63 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3hbl h LYS 551 Cb 0.10 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 3hbl h LYS 551 CO -0.15 1.24 0.55 0.78 -0.57 0.00 0.00 179.45 181.30 3hbl h GLY 552 N 0.60 1.28 0.98 3.86 0.00 -1.62 0.15 103.07 108.33 3hbl h GLY 552 Ca -0.05 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3hbl h GLY 552 CO 0.16 0.50 0.24 -2.08 0.00 0.00 0.00 176.54 175.36 3hbl h VAL 553 N 1.22 1.14 -0.34 4.60 2.07 -1.09 0.16 116.25 124.02 3hbl h VAL 553 Ca 0.32 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3hbl h VAL 553 Cb -0.08 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3hbl h VAL 553 CO -0.06 0.15 0.15 0.00 0.02 0.00 0.00 177.57 177.82 3hbl h ALA 554 N 1.10 0.40 -0.59 1.67 0.00 -1.02 -0.33 119.26 120.50 3hbl h ALA 554 Ca 0.15 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3hbl h ALA 554 Cb 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3hbl h ALA 554 CO -0.03 -0.24 0.31 0.93 0.00 0.00 0.00 179.25 180.22 3hbl h GLU 555 N 0.31 0.56 -0.40 0.00 4.39 -0.17 -1.67 114.58 117.60 3hbl h GLU 555 Ca 0.15 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 3hbl h GLU 555 Cb 0.08 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3hbl h GLU 555 CO -0.12 0.37 -0.05 2.35 -1.16 0.00 0.00 179.01 180.40 3hbl h TRP 556 N 0.58 0.71 0.34 4.33 7.01 -0.07 -3.04 115.95 125.81 3hbl h TRP 556 Ca 0.26 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 3hbl h TRP 556 Cb 0.18 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 3hbl h TRP 556 CO -0.10 0.70 -0.16 0.28 -2.79 0.00 0.00 178.44 176.38 3hbl h VAL 557 N 0.62 0.69 -1.28 2.65 2.07 -0.32 -2.87 116.25 117.80 3hbl h VAL 557 Ca 0.12 -0.30 0.37 0.00 0.82 0.00 0.00 66.70 67.71 3hbl h VAL 557 Cb 0.46 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3hbl h VAL 557 CO 0.02 0.06 0.92 0.11 0.02 0.00 0.00 177.57 178.70 3hbl h LYS 558 N -0.61 0.01 0.00 1.57 1.57 -1.22 -1.02 116.57 116.87 3hbl h LYS 558 Ca -0.05 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 3hbl h LYS 558 Cb 0.44 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3hbl h LYS 558 CO 0.08 0.01 -0.88 0.87 -0.57 0.00 0.00 179.45 178.95 3hbl h LYS 559 N 0.01 0.00 -6.63 3.15 1.57 -1.42 -3.47 116.57 109.78 3hbl h LYS 559 Ca 0.61 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.87 3hbl h LYS 559 Cb 2.43 0.00 0.05 0.00 0.08 0.00 0.00 32.23 34.79 3hbl h LYS 559 CO -0.02 0.59 0.87 -0.65 -0.57 0.00 0.00 179.45 179.67 3hbl s GLN 560 N -2.86 4.21 -0.08 3.15 -1.52 -0.39 -4.95 119.66 117.22 3hbl s GLN 560 Ca 0.01 2.37 -0.17 0.00 -1.95 0.00 0.00 55.36 55.63 3hbl s GLN 560 Cb 0.08 -3.14 -0.13 0.00 -0.22 0.00 0.00 33.01 29.60 3hbl s GLN 560 CO 0.78 -0.59 0.61 0.22 -0.25 0.00 0.00 175.29 176.06 3hbl h ASP 561 N 6.50 -0.12 -3.11 5.90 -0.00 -1.90 -3.46 116.42 120.24 3hbl h ASP 561 Ca -0.43 -0.37 -0.58 0.00 -0.00 0.00 0.00 57.03 55.64 3hbl h ASP 561 Cb 1.21 0.03 0.17 0.00 -0.00 0.00 0.00 39.33 40.73 3hbl h ASP 561 CO 0.89 0.51 -0.22 0.47 -0.00 0.00 0.00 179.24 180.89 3hbl n ASP 562 N -4.84 -0.42 -4.74 2.28 8.00 -1.26 -4.83 116.55 110.74 3hbl n ASP 562 Ca -0.06 0.78 -0.41 0.00 0.71 0.00 0.00 54.79 55.81 3hbl n ASP 562 Cb 0.24 -1.24 -0.04 0.00 -0.02 0.00 0.00 41.12 40.06 3hbl n ASP 562 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hbl s VAL 563 N -1.63 3.80 0.23 2.53 1.01 -0.64 -4.89 120.40 120.81 3hbl s VAL 563 Ca 0.70 1.53 0.02 0.00 0.00 0.00 0.00 61.98 64.23 3hbl s VAL 563 Cb -0.45 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3hbl s VAL 563 CO 0.52 0.25 0.40 -0.76 0.00 0.00 0.00 175.10 175.51 3hbl s LEU 564 N -0.27 4.23 0.08 3.92 1.43 -0.39 -1.66 118.68 126.01 3hbl s LEU 564 Ca 0.51 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 3hbl s LEU 564 Cb -0.30 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 3hbl s LEU 564 CO 0.35 -0.09 -0.13 -1.48 0.23 0.00 0.00 176.35 175.23 3hbl s LEU 565 N -3.71 2.31 -0.21 1.79 0.05 -1.26 -1.33 118.68 116.32 3hbl s LEU 565 Ca 0.37 -0.66 -0.03 0.00 0.05 0.00 0.00 54.13 53.85 3hbl s LEU 565 Cb -0.10 -0.48 -0.00 0.00 -2.05 0.00 0.00 46.19 43.56 3hbl s LEU 565 CO 0.30 -0.11 -0.07 -0.89 -0.55 0.00 0.00 176.35 175.03 3hbl s THR 566 N -1.53 3.13 0.39 5.48 2.01 -0.19 -0.07 115.64 124.87 3hbl s THR 566 Ca -0.00 -0.58 -0.24 0.00 0.31 0.00 0.00 61.69 61.17 3hbl s THR 566 Cb -0.08 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 69.92 3hbl s THR 566 CO 0.02 0.44 1.06 -0.62 -0.69 0.00 0.00 174.62 174.82 3hbl s ASP 567 N 1.44 6.76 0.00 3.53 2.15 -1.06 -1.50 116.67 128.00 3hbl s ASP 567 Ca 0.06 2.06 0.00 0.00 0.43 0.00 0.00 52.55 55.10 3hbl s ASP 567 Cb -0.14 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 3hbl s ASP 567 CO -0.05 -0.49 0.78 0.35 -0.17 0.00 0.00 175.17 175.60 3hbl n THR 568 N -0.01 0.61 -0.27 1.71 -2.24 -0.44 -0.41 114.28 113.22 3hbl n THR 568 Ca 0.05 -0.68 0.07 0.00 -2.27 0.00 0.00 64.05 61.22 3hbl n THR 568 Cb 0.49 0.74 0.22 0.00 -2.10 0.00 0.00 70.33 69.68 3hbl n THR 568 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hbl h THR 569 N 0.69 0.60 0.00 4.28 2.02 -1.81 -0.33 112.91 118.36 3hbl h THR 569 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3hbl h THR 569 Cb 0.54 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3hbl h THR 569 CO 0.00 0.08 0.00 -0.26 0.37 0.00 0.00 175.52 175.71 3hbl h PHE 570 N 0.42 0.00 0.00 3.16 0.04 -1.87 -3.36 116.94 115.33 3hbl h PHE 570 Ca 0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.22 3hbl h PHE 570 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 3hbl h PHE 570 CO -0.17 0.00 0.00 -2.13 -0.60 0.00 0.00 178.31 175.41 3hbl n ARG 571 N -2.37 0.00 0.29 1.51 0.00 -0.28 -4.76 116.66 111.05 3hbl n ARG 571 Ca 0.04 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.08 3hbl n ARG 571 Cb 0.36 0.00 0.90 0.00 0.00 0.00 0.00 32.46 33.72 3hbl n ARG 571 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3hbl h ASP 572 N 0.00 0.00 -0.19 6.15 -0.00 -1.61 -2.36 116.42 118.41 3hbl h ASP 572 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.03 56.93 3hbl h ASP 572 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3hbl h ASP 572 CO 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 179.24 178.98 3hbl h ALA 573 N 2.01 0.29 0.00 -0.78 0.00 -1.38 -2.63 119.26 116.77 3hbl h ALA 573 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hbl h ALA 573 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hbl h ALA 573 CO 0.00 0.27 -0.75 1.12 0.00 0.00 0.00 179.25 179.89 3hbl h HIS 574 N 0.17 0.00 -0.26 0.00 2.07 -1.63 -1.77 115.15 113.73 3hbl h HIS 574 Ca 0.02 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.48 3hbl h HIS 574 Cb 0.82 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.79 3hbl h HIS 574 CO 0.09 0.00 -0.12 0.37 -3.07 0.00 0.00 177.93 175.19 3hbl h GLN 575 N 0.00 0.43 0.00 5.12 4.15 -1.49 0.18 115.11 123.50 3hbl h GLN 575 Ca 0.00 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 3hbl h GLN 575 Cb 0.94 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.58 3hbl h GLN 575 CO 0.00 0.56 -0.00 0.77 -1.93 0.00 0.00 178.83 178.23 3hbl h SER 576 N 0.40 -0.00 0.63 -0.69 0.02 -1.37 -3.33 113.55 109.21 3hbl h SER 576 Ca 0.08 -0.97 -0.26 0.00 -0.84 0.00 0.00 61.79 59.79 3hbl h SER 576 Cb 0.46 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 3hbl h SER 576 CO 0.03 0.97 -1.52 -0.07 -1.14 0.00 0.00 176.83 175.10 3hbl h LEU 577 N -0.98 0.00 -3.87 5.07 3.38 -1.38 -3.41 115.31 114.12 3hbl h LEU 577 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3hbl h LEU 577 Cb 0.97 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.37 3hbl h LEU 577 CO 0.00 0.96 -0.99 0.18 0.09 0.00 0.00 178.44 178.69 3hbl n LEU 578 N -3.10 1.72 -4.29 1.67 4.77 -0.14 -2.92 117.00 114.70 3hbl n LEU 578 Ca -0.12 -2.79 -0.38 0.00 -0.03 0.00 0.00 56.01 52.68 3hbl n LEU 578 Cb 1.01 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 42.13 3hbl n LEU 578 CO 0.45 0.92 -0.05 0.00 -1.33 0.00 0.00 177.39 177.38 3hbl n ALA 579 N -0.16 -1.24 -1.66 -1.18 0.00 -0.99 -1.30 120.51 113.98 3hbl n ALA 579 Ca 0.11 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 3hbl n ALA 579 Cb 0.96 -3.33 -0.08 0.00 0.00 0.00 0.00 19.45 17.00 3hbl n ALA 579 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hbl n THR 580 N -4.32 -0.07 1.30 0.00 -1.04 0.46 -4.87 114.28 105.73 3hbl n THR 580 Ca 0.09 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.24 3hbl n THR 580 Cb 0.48 -2.06 0.60 0.00 -1.82 0.00 0.00 70.33 67.53 3hbl n THR 580 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hbl n ARG 581 N -2.43 0.45 -1.77 -2.82 5.12 -0.42 -4.82 116.66 109.98 3hbl n ARG 581 Ca -0.21 -0.13 -0.42 0.00 -1.93 0.00 0.00 57.85 55.16 3hbl n ARG 581 Cb 0.69 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.46 3hbl n ARG 581 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hbl s VAL 582 N -2.64 2.56 0.42 1.55 1.01 -1.26 -4.95 120.40 117.09 3hbl s VAL 582 Ca 0.24 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 3hbl s VAL 582 Cb 0.20 -3.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 3hbl s VAL 582 CO 0.51 0.00 0.77 -0.13 0.00 0.00 0.00 175.10 176.25 3hbl s ARG 583 N 2.38 3.73 0.25 2.72 0.52 -1.26 -4.98 118.95 122.31 3hbl s ARG 583 Ca 0.78 0.41 -0.06 0.00 -0.52 0.00 0.00 55.73 56.35 3hbl s ARG 583 Cb -0.45 -2.39 0.46 0.00 0.52 0.00 0.00 34.95 33.08 3hbl s ARG 583 CO 0.35 -0.06 1.65 1.15 0.02 0.00 0.00 175.30 178.40 3hbl h THR 584 N 0.95 0.39 -0.64 0.02 2.02 -1.92 -2.45 112.91 111.28 3hbl h THR 584 Ca -0.47 -0.05 0.12 0.00 0.77 0.00 0.00 66.41 66.77 3hbl h THR 584 Cb 1.19 0.23 -0.08 0.00 -1.74 0.00 0.00 68.15 67.74 3hbl h THR 584 CO 0.63 0.03 0.20 0.50 0.37 0.00 0.00 175.52 177.25 3hbl h LYS 585 N 0.15 0.33 0.00 6.66 1.63 -1.90 0.39 116.57 123.84 3hbl h LYS 585 Ca 0.42 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 60.12 3hbl h LYS 585 Cb 0.74 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 3hbl h LYS 585 CO -0.61 0.22 -0.38 -0.44 -3.45 0.00 0.00 179.45 174.79 3hbl h ASP 586 N 0.34 0.00 0.09 4.20 3.45 -1.82 -1.68 116.42 121.00 3hbl h ASP 586 Ca 0.34 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 57.58 3hbl h ASP 586 Cb 0.48 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.28 3hbl h ASP 586 CO -0.38 0.38 -0.92 0.24 -1.57 0.00 0.00 179.24 176.99 3hbl h MET 587 N 0.00 0.46 -0.77 3.56 2.86 -1.10 -3.30 114.93 116.64 3hbl h MET 587 Ca -0.00 -0.62 0.07 0.00 -2.06 0.00 0.00 59.70 57.09 3hbl h MET 587 Cb 0.71 0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.52 3hbl h MET 587 CO 0.05 1.26 0.51 0.82 1.06 0.00 0.00 176.91 180.60 3hbl h ILE 588 N -0.04 1.02 -0.13 -1.22 1.08 -0.03 -1.94 117.51 116.25 3hbl h ILE 588 Ca -0.14 -0.28 -0.09 0.00 -0.39 0.00 0.00 64.86 63.96 3hbl h ILE 588 Cb 1.65 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 3hbl h ILE 588 CO 0.18 0.15 -0.33 0.78 -0.69 0.00 0.00 178.15 178.23 3hbl h ASN 589 N 0.81 0.26 -0.38 1.72 -0.26 -1.39 -2.91 115.58 113.43 3hbl h ASN 589 Ca 0.34 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3hbl h ASN 589 Cb 0.28 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 3hbl h ASN 589 CO -0.12 0.59 0.00 2.30 -1.06 0.00 0.00 177.43 179.14 3hbl n ILE 590 N -4.09 0.59 -0.17 2.81 -6.64 -1.08 -4.63 119.36 106.15 3hbl n ILE 590 Ca -0.01 -0.79 -0.06 0.00 -1.77 0.00 0.00 62.75 60.12 3hbl n ILE 590 Cb 0.42 0.88 0.00 0.00 -1.44 0.00 0.00 39.64 39.50 3hbl n ILE 590 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3hbl h ALA 591 N 3.74 -0.05 -0.53 -1.28 0.00 -1.14 0.17 119.26 120.16 3hbl h ALA 591 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3hbl h ALA 591 Cb 0.88 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 3hbl h ALA 591 CO 0.00 -0.67 0.22 0.66 0.00 0.00 0.00 179.25 179.46 3hbl h SER 592 N -0.18 0.69 -0.39 0.00 4.64 -1.81 0.13 113.55 116.63 3hbl h SER 592 Ca 0.22 -0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.35 3hbl h SER 592 Cb 0.54 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3hbl h SER 592 CO -0.62 0.62 -0.16 0.50 -0.87 0.00 0.00 176.83 176.30 3hbl h LYS 593 N 0.76 0.80 -0.80 4.77 1.63 -1.52 -3.07 116.57 119.13 3hbl h LYS 593 Ca 0.18 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 3hbl h LYS 593 Cb 0.14 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 3hbl h LYS 593 CO -0.02 0.96 0.51 1.15 -3.45 0.00 0.00 179.45 178.60 3hbl h THR 594 N 0.60 1.21 -0.92 1.00 2.02 0.11 0.64 112.91 117.58 3hbl h THR 594 Ca 0.09 -0.43 0.19 0.00 0.77 0.00 0.00 66.41 67.03 3hbl h THR 594 Cb 0.70 0.07 -0.11 0.00 -1.74 0.00 0.00 68.15 67.07 3hbl h THR 594 CO 0.05 0.21 0.48 0.00 0.37 0.00 0.00 175.52 176.64 3hbl h ALA 595 N 1.28 1.47 0.01 6.16 0.00 -0.75 -1.68 119.26 125.75 3hbl h ALA 595 Ca 0.29 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hbl h ALA 595 Cb -0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hbl h ALA 595 CO -0.06 -0.17 -0.00 0.22 0.00 0.00 0.00 179.25 179.24 3hbl h ASP 596 N 0.59 -0.01 -0.63 0.00 3.58 -1.16 -3.12 116.42 115.67 3hbl h ASP 596 Ca 0.54 -0.81 0.07 0.00 0.42 0.00 0.00 57.03 57.25 3hbl h ASP 596 Cb 0.88 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.88 3hbl h ASP 596 CO -0.42 0.85 0.32 0.58 -2.88 0.00 0.00 179.24 177.68 3hbl h VAL 597 N -0.93 0.90 -0.75 2.25 2.07 -0.75 -2.69 116.25 116.36 3hbl h VAL 597 Ca -0.00 -0.20 -0.25 0.00 0.82 0.00 0.00 66.70 67.07 3hbl h VAL 597 Cb 0.82 0.27 -0.15 0.00 -1.52 0.00 0.00 31.29 30.71 3hbl h VAL 597 CO 0.00 0.10 0.30 0.49 0.02 0.00 0.00 177.57 178.49 3hbl n PHE 598 N -4.86 2.47 0.29 1.57 3.01 -0.65 -3.92 117.46 115.37 3hbl n PHE 598 Ca 0.08 -1.30 0.18 0.00 1.01 0.00 0.00 57.45 57.43 3hbl n PHE 598 Cb 0.21 -0.71 1.00 0.00 -0.01 0.00 0.00 39.48 39.96 3hbl n PHE 598 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3hbl h LYS 599 N 2.38 0.00 -0.33 -1.08 2.10 -1.41 0.54 116.57 118.78 3hbl h LYS 599 Ca 0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 3hbl h LYS 599 Cb 2.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.70 3hbl h LYS 599 CO 0.77 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.97 3hbl n ASP 600 N -3.44 3.30 -4.81 7.07 8.00 -1.26 -4.60 116.55 120.80 3hbl n ASP 600 Ca -0.02 -2.35 -0.29 0.00 0.71 0.00 0.00 54.79 52.83 3hbl n ASP 600 Cb 0.17 -0.35 0.10 0.00 -0.02 0.00 0.00 41.12 41.03 3hbl n ASP 600 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hbl s GLY 601 N -1.31 1.61 -0.13 0.44 0.00 0.18 -4.80 107.32 103.30 3hbl s GLY 601 Ca 0.30 -0.35 -0.22 0.00 0.00 0.00 0.00 44.72 44.45 3hbl s GLY 601 CO 0.14 0.12 0.58 -2.75 0.00 0.00 0.00 173.10 171.19 3hbl h PHE 602 N -1.20 0.00 -3.68 1.90 3.57 -0.79 -3.42 116.94 113.33 3hbl h PHE 602 Ca -0.48 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 60.94 3hbl h PHE 602 Cb 1.29 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.95 3hbl h PHE 602 CO 0.40 0.77 -0.11 -1.54 -2.23 0.00 0.00 178.31 175.61 3hbl s SER 603 N -6.07 0.04 -0.23 0.41 1.04 -1.23 -3.88 113.70 103.78 3hbl s SER 603 Ca -0.15 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.27 3hbl s SER 603 Cb -0.02 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.74 3hbl s SER 603 CO 0.53 -1.19 -0.11 -0.76 0.98 0.00 0.00 173.24 172.69 3hbl s LEU 604 N -3.05 2.96 -0.36 2.42 1.43 -0.28 -2.57 118.68 119.23 3hbl s LEU 604 Ca 0.23 -0.92 -0.29 0.00 -1.03 0.00 0.00 54.13 52.12 3hbl s LEU 604 Cb -0.01 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 3hbl s LEU 604 CO 0.11 -0.10 1.52 -0.70 0.23 0.00 0.00 176.35 177.40 3hbl s GLU 605 N 1.27 3.57 -0.00 1.70 2.12 0.45 -1.07 118.70 126.74 3hbl s GLU 605 Ca -0.00 1.16 0.00 0.00 0.36 0.00 0.00 54.97 56.49 3hbl s GLU 605 Cb -0.16 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 30.18 3hbl s GLU 605 CO -0.07 -1.56 0.83 0.00 -0.54 0.00 0.00 175.26 173.92 3hbl n MET 606 N 8.04 0.03 -3.63 4.30 0.00 -0.29 -2.97 117.12 122.60 3hbl n MET 606 Ca 0.18 -0.85 -0.10 0.00 0.00 0.00 0.00 57.70 56.94 3hbl n MET 606 Cb 0.47 -0.51 -0.03 0.00 0.00 0.00 0.00 33.22 33.15 3hbl n MET 606 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 3hbl s TRP 607 N -0.03 -0.31 0.00 3.17 -0.00 -1.21 -4.79 118.94 115.77 3hbl s TRP 607 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 56.10 56.10 3hbl s TRP 607 Cb 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 33.47 34.00 3hbl s TRP 607 CO 0.00 -0.95 0.00 0.41 -0.00 0.00 0.00 176.95 176.41 3hbl n GLY 608 N -0.38 -1.81 7.00 5.86 0.00 -1.26 -2.06 105.19 112.53 3hbl n GLY 608 Ca -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3hbl n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 609 N 0.00 3.01 0.01 -0.02 0.00 -1.24 -2.15 105.19 104.79 3hbl n GLY 609 Ca 0.00 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.84 3hbl n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl n ALA 610 N 9.92 2.68 -0.25 4.61 0.00 -1.26 -4.42 120.51 131.80 3hbl n ALA 610 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 3hbl n ALA 610 Cb 0.00 -1.37 0.11 0.00 0.00 0.00 0.00 19.45 18.19 3hbl n ALA 610 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hbl h THR 611 N 0.04 1.25 -0.30 0.00 1.35 -1.79 -0.02 112.91 113.44 3hbl h THR 611 Ca 0.00 -0.79 -0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3hbl h THR 611 Cb 0.48 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 3hbl h THR 611 CO 0.00 0.32 0.17 0.15 -0.25 0.00 0.00 175.52 175.91 3hbl h PHE 612 N 1.07 0.39 -0.02 4.73 3.57 -1.77 -0.22 116.94 124.69 3hbl h PHE 612 Ca 0.25 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 3hbl h PHE 612 Cb 0.21 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3hbl h PHE 612 CO 0.02 0.30 -0.04 0.22 -2.23 0.00 0.00 178.31 176.58 3hbl h ASP 613 N 0.37 0.07 -0.58 0.41 -0.00 -1.76 -3.07 116.42 111.86 3hbl h ASP 613 Ca 0.11 -0.58 -0.05 0.00 -0.00 0.00 0.00 57.03 56.51 3hbl h ASP 613 Cb 0.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 39.31 3hbl h ASP 613 CO -0.02 0.64 0.19 0.58 -0.00 0.00 0.00 179.24 180.63 3hbl h VAL 614 N -0.50 1.24 -0.11 2.25 2.07 -0.99 -1.10 116.25 119.11 3hbl h VAL 614 Ca 0.00 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.75 3hbl h VAL 614 Cb 0.63 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3hbl h VAL 614 CO 0.01 0.30 -0.14 0.00 0.02 0.00 0.00 177.57 177.76 3hbl h ALA 615 N 1.05 -0.07 -0.48 1.67 0.00 -1.11 -1.18 119.26 119.14 3hbl h ALA 615 Ca 0.19 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3hbl h ALA 615 Cb 0.28 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3hbl h ALA 615 CO -0.01 -0.60 -0.04 1.88 0.00 0.00 0.00 179.25 180.49 3hbl h TYR 616 N -0.18 0.97 0.00 0.00 0.99 -1.42 0.36 116.97 117.68 3hbl h TYR 616 Ca 0.08 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.63 3hbl h TYR 616 Cb 0.30 -0.25 0.00 0.00 1.00 0.00 0.00 36.73 37.79 3hbl h TYR 616 CO -0.25 0.92 -0.15 -0.97 -0.00 0.00 0.00 178.16 177.71 3hbl h ASN 617 N 0.73 0.00 0.15 3.88 -0.00 -1.03 -3.18 115.58 116.14 3hbl h ASN 617 Ca 0.13 0.00 -0.23 0.00 -0.00 0.00 0.00 56.30 56.20 3hbl h ASN 617 Cb 0.56 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.90 3hbl h ASN 617 CO 0.03 0.33 -1.06 -0.26 -0.00 0.00 0.00 177.43 176.47 3hbl h PHE 618 N -0.51 0.59 0.00 0.67 -1.00 -1.51 -3.35 116.94 111.83 3hbl h PHE 618 Ca 0.00 -0.43 0.00 0.00 2.81 0.00 0.00 57.97 60.35 3hbl h PHE 618 Cb 0.15 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.69 3hbl h PHE 618 CO -0.07 1.41 0.00 -0.07 -1.61 0.00 0.00 178.31 177.97 3hbl h LEU 619 N -0.27 0.00 -1.10 1.54 3.38 -1.25 -3.48 115.31 114.13 3hbl h LEU 619 Ca -0.20 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.30 3hbl h LEU 619 Cb 1.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 3hbl h LEU 619 CO 0.15 0.00 -0.77 0.29 0.09 0.00 0.00 178.44 178.20 3hbl n LYS 620 N -3.06 -5.50 -4.29 1.13 4.01 0.96 -4.88 118.16 106.53 3hbl n LYS 620 Ca 0.04 0.61 -0.17 0.00 -0.51 0.00 0.00 58.31 58.28 3hbl n LYS 620 Cb 0.51 -5.45 -0.10 0.00 -0.51 0.00 0.00 35.03 29.48 3hbl n LYS 620 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3hbl s GLU 621 N -6.52 1.16 -0.36 1.97 -1.05 0.49 -4.66 118.70 109.72 3hbl s GLU 621 Ca 0.56 -1.46 -0.28 0.00 -0.15 0.00 0.00 54.97 53.63 3hbl s GLU 621 Cb -0.28 -0.87 0.02 0.00 -0.44 0.00 0.00 34.13 32.56 3hbl s GLU 621 CO 0.83 0.14 1.05 1.21 0.95 0.00 0.00 175.26 179.44 3hbl s ASN 622 N -3.09 6.81 0.56 0.83 3.04 -1.26 -2.84 114.94 118.99 3hbl s ASN 622 Ca 0.17 0.82 0.35 0.00 0.04 0.00 0.00 52.86 54.24 3hbl s ASN 622 Cb -0.00 -2.53 1.55 0.00 -1.54 0.00 0.00 41.25 38.73 3hbl s ASN 622 CO 0.03 -0.96 2.04 1.55 -3.04 0.00 0.00 177.10 176.73 3hbl h PRO 623 N 8.42 0.00 -0.26 0.43 0.13 -1.90 -2.04 132.00 136.79 3hbl h PRO 623 Ca -0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.83 3hbl h PRO 623 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3hbl h PRO 623 CO 1.04 0.00 -0.15 -1.49 -0.23 0.00 0.00 178.00 177.17 3hbl h TRP 624 N 0.00 0.66 -1.00 1.56 4.06 -1.97 -2.18 115.95 117.07 3hbl h TRP 624 Ca 0.00 -0.17 0.05 0.00 2.06 0.00 0.00 58.89 60.83 3hbl h TRP 624 Cb 0.41 -0.15 -0.06 0.00 -1.00 0.00 0.00 29.16 28.36 3hbl h TRP 624 CO 0.00 0.83 0.65 0.93 -3.56 0.00 0.00 178.44 177.29 3hbl h GLU 625 N 0.29 1.20 0.19 0.49 5.08 -1.80 0.68 114.58 120.71 3hbl h GLU 625 Ca 0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hbl h GLU 625 Cb 0.67 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3hbl h GLU 625 CO 0.04 0.79 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.58 3hbl h ARG 626 N 1.24 -0.37 -0.52 2.33 2.43 -1.33 -0.09 114.38 118.07 3hbl h ARG 626 Ca 0.41 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.70 3hbl h ARG 626 Cb 0.06 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.61 3hbl h ARG 626 CO -0.14 -0.25 0.07 1.25 -1.51 0.00 0.00 179.97 179.39 3hbl h LEU 627 N -0.39 -0.08 0.02 3.80 5.85 -0.79 -1.51 115.31 122.21 3hbl h LEU 627 Ca -0.00 0.11 -0.27 0.00 0.84 0.00 0.00 57.88 58.55 3hbl h LEU 627 Cb 0.36 0.16 0.02 0.00 0.37 0.00 0.00 40.66 41.57 3hbl h LEU 627 CO -0.03 -0.02 -1.07 -0.33 -0.34 0.00 0.00 178.44 176.65 3hbl h GLU 628 N 0.19 0.68 -0.29 1.25 5.08 -0.53 0.60 114.58 121.57 3hbl h GLU 628 Ca 0.27 -0.77 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 3hbl h GLU 628 Cb 0.39 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3hbl h GLU 628 CO -0.38 1.33 -0.16 0.00 -1.00 0.00 0.00 179.01 178.81 3hbl h ARG 629 N 0.36 0.50 -0.24 2.33 3.08 -1.00 -2.35 114.38 117.06 3hbl h ARG 629 Ca -0.14 -0.16 -0.19 0.00 0.07 0.00 0.00 59.98 59.57 3hbl h ARG 629 Cb 1.73 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.73 3hbl h ARG 629 CO 0.21 0.65 -0.58 -0.07 -1.07 0.00 0.00 179.97 179.11 3hbl h LEU 630 N 0.46 0.92 -0.35 3.04 3.38 -1.17 -2.62 115.31 118.97 3hbl h LEU 630 Ca 0.08 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 57.56 3hbl h LEU 630 Cb 0.54 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 3hbl h LEU 630 CO 0.03 1.32 -0.15 -0.09 0.09 0.00 0.00 178.44 179.64 3hbl h ARG 631 N 0.57 -0.08 -0.05 1.13 1.12 -0.59 0.44 114.38 116.92 3hbl h ARG 631 Ca -0.00 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3hbl h ARG 631 Cb 1.20 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 31.17 3hbl h ARG 631 CO 0.13 -0.06 0.03 0.87 -3.11 0.00 0.00 179.97 177.83 3hbl h LYS 632 N -0.09 0.06 -0.18 0.20 1.79 -1.45 -3.08 116.57 113.82 3hbl h LYS 632 Ca 0.18 -0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.53 3hbl h LYS 632 Cb 0.36 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 3hbl h LYS 632 CO -0.41 0.04 -0.37 0.00 -1.08 0.00 0.00 179.45 177.63 3hbl h ALA 633 N 1.02 1.04 -2.84 3.86 0.00 -1.02 -3.35 119.26 117.97 3hbl h ALA 633 Ca 0.02 -0.40 -0.61 0.00 0.00 0.00 0.00 54.91 53.91 3hbl h ALA 633 Cb -0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 17.79 17.27 3hbl h ALA 633 CO -0.00 0.59 -0.63 -0.89 0.00 0.00 0.00 179.25 178.32 3hbl n ILE 634 N -4.05 1.41 0.43 0.00 5.41 0.15 -4.60 119.36 118.10 3hbl n ILE 634 Ca -0.01 -4.76 0.09 0.00 1.00 0.00 0.00 62.75 59.07 3hbl n ILE 634 Cb 0.47 -2.11 0.25 0.00 -0.71 0.00 0.00 39.64 37.54 3hbl n ILE 634 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3hbl n PRO 635 N 1.85 2.21 -0.00 0.38 -0.04 -1.17 -4.22 135.00 134.00 3hbl n PRO 635 Ca 0.23 -1.86 0.06 0.00 -0.04 0.00 0.00 63.50 61.89 3hbl n PRO 635 Cb 0.38 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 3hbl n PRO 635 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3hbl n ASN 636 N 1.03 1.71 -4.32 3.54 6.94 -1.26 -4.68 115.26 118.21 3hbl n ASN 636 Ca 0.18 -0.17 -0.32 0.00 -0.02 0.00 0.00 54.58 54.25 3hbl n ASN 636 Cb 0.46 1.47 -0.16 0.00 -2.36 0.00 0.00 39.78 39.19 3hbl n ASN 636 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3hbl s VAL 637 N -2.76 2.32 0.25 3.53 1.01 -1.26 -2.13 120.40 121.36 3hbl s VAL 637 Ca -0.03 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 3hbl s VAL 637 Cb 0.09 -1.86 -0.14 0.00 0.00 0.00 0.00 36.38 34.46 3hbl s VAL 637 CO 0.54 0.57 1.20 0.18 0.00 0.00 0.00 175.10 177.60 3hbl n LEU 638 N 2.81 2.30 -4.78 3.92 4.77 -1.25 -4.60 117.00 120.16 3hbl n LEU 638 Ca -0.17 1.16 -0.37 0.00 -0.03 0.00 0.00 56.01 56.60 3hbl n LEU 638 Cb 0.52 -1.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.21 3hbl n LEU 638 CO 0.25 -1.00 -0.02 -0.36 -1.33 0.00 0.00 177.39 174.94 3hbl s PHE 639 N -0.50 3.55 -0.01 -1.77 0.40 -1.26 -1.13 117.98 117.26 3hbl s PHE 639 Ca 0.65 0.68 0.07 0.00 -0.60 0.00 0.00 56.93 57.73 3hbl s PHE 639 Cb -0.72 -2.25 -0.02 0.00 0.51 0.00 0.00 43.02 40.54 3hbl s PHE 639 CO 0.55 0.43 -0.22 -1.14 0.70 0.00 0.00 175.22 175.54 3hbl s GLN 640 N -0.18 1.71 0.15 0.44 0.74 -0.23 -0.47 119.66 121.82 3hbl s GLN 640 Ca 0.18 -0.81 0.06 0.00 0.05 0.00 0.00 55.36 54.84 3hbl s GLN 640 Cb -0.14 -1.68 -0.04 0.00 1.10 0.00 0.00 33.01 32.25 3hbl s GLN 640 CO 0.06 0.46 -0.13 0.00 -0.55 0.00 0.00 175.29 175.13 3hbl s MET 641 N -0.62 1.09 0.12 1.67 0.23 -0.67 -1.14 119.30 119.99 3hbl s MET 641 Ca 0.08 -1.37 -0.19 0.00 -1.03 0.00 0.00 55.69 53.19 3hbl s MET 641 Cb -0.08 -0.87 -0.07 0.00 -1.53 0.00 0.00 34.83 32.27 3hbl s MET 641 CO -0.00 0.15 0.61 -1.17 -2.03 0.00 0.00 175.02 172.58 3hbl s LEU 642 N -2.82 4.47 -0.25 0.18 2.96 -0.88 -1.27 118.68 121.07 3hbl s LEU 642 Ca 0.14 1.30 -0.03 0.00 -0.22 0.00 0.00 54.13 55.32 3hbl s LEU 642 Cb -0.02 -3.13 0.11 0.00 0.50 0.00 0.00 46.19 43.65 3hbl s LEU 642 CO 0.03 0.19 0.22 -0.22 -1.32 0.00 0.00 176.35 175.26 3hbl s LEU 643 N -1.42 -0.00 0.25 -0.68 2.96 -0.36 -3.73 118.68 115.69 3hbl s LEU 643 Ca 0.34 -0.65 -0.30 0.00 -0.22 0.00 0.00 54.13 53.30 3hbl s LEU 643 Cb -0.19 0.25 -0.10 0.00 0.50 0.00 0.00 46.19 46.65 3hbl s LEU 643 CO 0.20 -0.37 1.48 -0.60 -1.32 0.00 0.00 176.35 175.74 3hbl s ARG 644 N 2.28 4.24 0.11 1.98 3.52 -0.29 -2.97 118.95 127.82 3hbl s ARG 644 Ca 0.08 2.36 -0.21 0.00 -0.13 0.00 0.00 55.73 57.82 3hbl s ARG 644 Cb -0.15 -3.10 -0.10 0.00 -1.56 0.00 0.00 34.95 30.04 3hbl s ARG 644 CO -0.24 -0.48 1.75 0.00 -0.81 0.00 0.00 175.30 175.52 3hbl h ALA 645 N 5.20 0.15 -0.35 6.12 0.00 -1.21 0.19 119.26 129.35 3hbl h ALA 645 Ca -0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3hbl h ALA 645 Cb 1.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3hbl h ALA 645 CO 0.79 -0.36 0.05 0.66 0.00 0.00 0.00 179.25 180.40 3hbl h SER 646 N 0.15 0.57 0.00 0.00 4.64 -1.83 -3.39 113.55 113.68 3hbl h SER 646 Ca 0.04 -0.27 -0.07 0.00 -0.47 0.00 0.00 61.79 61.03 3hbl h SER 646 Cb -0.00 -0.15 -0.15 0.00 -0.31 0.00 0.00 62.40 61.79 3hbl h SER 646 CO -0.01 0.69 -0.66 -0.46 -0.87 0.00 0.00 176.83 175.51 3hbl n ASN 647 N -4.57 0.33 0.00 4.97 2.04 -1.21 -4.38 115.26 112.44 3hbl n ASN 647 Ca -0.01 -1.95 0.00 0.00 -0.44 0.00 0.00 54.58 52.17 3hbl n ASN 647 Cb 0.23 -0.21 0.00 0.00 -2.53 0.00 0.00 39.78 37.27 3hbl n ASN 647 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3hbl n ALA 648 N 0.18 0.00 -0.72 -2.53 0.00 0.65 0.82 120.51 118.91 3hbl n ALA 648 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3hbl n ALA 648 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 3hbl n ALA 648 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3hbl n VAL 649 N 0.00 0.10 -0.67 0.00 3.14 -1.26 -1.13 118.33 118.51 3hbl n VAL 649 Ca 0.00 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 3hbl n VAL 649 Cb 0.00 1.41 0.00 0.00 -1.06 0.00 0.00 33.84 34.19 3hbl n VAL 649 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hbl n GLY 650 N -0.05 -1.33 0.00 7.55 0.00 0.24 -4.76 105.19 106.84 3hbl n GLY 650 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3hbl n GLY 650 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3hbl n TYR 651 N -1.61 0.00 -2.99 1.61 0.18 -1.26 -5.00 117.16 108.09 3hbl n TYR 651 Ca 0.00 -0.08 0.00 0.00 1.88 0.00 0.00 57.90 59.70 3hbl n TYR 651 Cb 0.00 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 38.95 3hbl n TYR 651 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3hbl n LYS 652 N -0.08 0.00 -2.90 -3.48 2.85 -1.26 -5.16 118.16 108.13 3hbl n LYS 652 Ca 0.00 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.93 3hbl n LYS 652 Cb 0.05 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.37 3hbl n LYS 652 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3hbl s ASN 653 N -0.57 6.86 0.02 -5.58 0.01 -1.26 -4.59 114.94 109.83 3hbl s ASN 653 Ca 0.00 1.54 -0.00 0.00 -0.71 0.00 0.00 52.86 53.69 3hbl s ASN 653 Cb 0.00 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 3hbl s ASN 653 CO 0.00 -0.32 -0.03 -0.31 -1.51 0.00 0.00 177.10 174.93 3hbl s TYR 654 N -2.15 0.30 0.82 2.20 1.51 -1.26 -5.08 117.35 113.70 3hbl s TYR 654 Ca 0.59 -0.62 -0.11 0.00 -1.01 0.00 0.00 57.07 55.93 3hbl s TYR 654 Cb -0.09 -0.22 0.08 0.00 -0.11 0.00 0.00 41.96 41.62 3hbl s TYR 654 CO 0.16 -0.22 1.10 -1.25 -1.11 0.00 0.00 175.55 174.23 3hbl s PRO 655 N -1.85 1.86 0.35 -1.71 0.04 -1.26 -4.64 135.00 127.79 3hbl s PRO 655 Ca -0.12 1.13 0.09 0.00 0.04 0.00 0.00 61.00 62.14 3hbl s PRO 655 Cb -0.07 -1.85 0.82 0.00 0.04 0.00 0.00 34.50 33.43 3hbl s PRO 655 CO -0.02 -1.91 1.86 -0.44 0.04 0.00 0.00 177.00 176.53 3hbl h ASP 656 N -1.32 0.66 0.36 6.66 3.45 -1.88 -1.92 116.42 122.42 3hbl h ASP 656 Ca -0.45 0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.00 3hbl h ASP 656 Cb 1.25 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.92 3hbl h ASP 656 CO 0.51 0.33 -0.26 -0.55 -1.57 0.00 0.00 179.24 177.69 3hbl h ASN 657 N 0.69 0.00 -0.46 6.45 -1.07 -1.96 -1.32 115.58 117.91 3hbl h ASN 657 Ca 0.46 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.72 3hbl h ASN 657 Cb 0.75 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.98 3hbl h ASN 657 CO -0.22 0.26 -0.15 0.58 0.07 0.00 0.00 177.43 177.97 3hbl h VAL 658 N 0.00 1.27 -0.13 6.14 2.07 -1.71 -0.22 116.25 123.67 3hbl h VAL 658 Ca -0.00 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 3hbl h VAL 658 Cb 0.51 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3hbl h VAL 658 CO 0.03 0.44 0.08 0.40 0.02 0.00 0.00 177.57 178.55 3hbl h ILE 659 N 0.75 1.06 -0.14 4.57 1.08 -1.24 -2.42 117.51 121.18 3hbl h ILE 659 Ca 0.11 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 3hbl h ILE 659 Cb 0.71 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 3hbl h ILE 659 CO 0.05 0.05 0.05 0.45 -0.69 0.00 0.00 178.15 178.07 3hbl h HIS 660 N 0.16 0.10 -0.64 1.37 3.86 -1.23 -2.32 115.15 116.44 3hbl h HIS 660 Ca 0.05 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.32 3hbl h HIS 660 Cb 0.02 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 3hbl h HIS 660 CO -0.06 0.05 0.36 -0.22 0.86 0.00 0.00 177.93 178.92 3hbl h LYS 661 N 0.13 0.65 -0.46 2.45 3.64 -1.00 0.94 116.57 122.92 3hbl h LYS 661 Ca 0.06 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3hbl h LYS 661 Cb 0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3hbl h LYS 661 CO -0.05 0.43 0.17 0.35 -2.27 0.00 0.00 179.45 178.08 3hbl h PHE 662 N 0.67 0.71 -0.50 1.91 3.57 -1.27 0.14 116.94 122.17 3hbl h PHE 662 Ca 0.28 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 3hbl h PHE 662 Cb 0.15 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 3hbl h PHE 662 CO -0.08 0.62 0.08 0.28 -2.23 0.00 0.00 178.31 176.98 3hbl h VAL 663 N 0.60 1.25 -0.11 1.41 2.07 -1.16 0.24 116.25 120.55 3hbl h VAL 663 Ca 0.15 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.77 3hbl h VAL 663 Cb 0.22 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3hbl h VAL 663 CO -0.01 0.33 -0.43 1.56 0.02 0.00 0.00 177.57 179.05 3hbl h GLN 664 N 0.70 -0.49 -0.42 1.57 4.20 -0.44 -0.67 115.11 119.57 3hbl h GLN 664 Ca 0.15 0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.77 3hbl h GLN 664 Cb 0.40 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3hbl h GLN 664 CO 0.01 -0.33 -0.25 0.93 -0.67 0.00 0.00 178.83 178.52 3hbl h GLU 665 N -0.51 0.87 -0.40 1.46 4.39 -0.79 -2.37 114.58 117.23 3hbl h GLU 665 Ca 0.07 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 3hbl h GLU 665 Cb 0.63 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 3hbl h GLU 665 CO -0.39 1.02 0.22 0.77 -1.16 0.00 0.00 179.01 179.48 3hbl h SER 666 N 0.75 0.50 -0.04 1.42 0.02 -0.85 -0.90 113.55 114.45 3hbl h SER 666 Ca 0.09 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hbl h SER 666 Cb 0.80 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 3hbl h SER 666 CO 0.07 0.45 0.02 0.00 -1.14 0.00 0.00 176.83 176.23 3hbl h ALA 667 N 1.08 0.05 -1.01 3.77 0.00 -1.05 -1.90 119.26 120.20 3hbl h ALA 667 Ca 0.14 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.11 3hbl h ALA 667 Cb 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3hbl h ALA 667 CO -0.02 -0.40 0.64 0.87 0.00 0.00 0.00 179.25 180.34 3hbl h LYS 668 N -0.04 0.99 -0.00 0.00 1.57 -1.27 -2.00 116.57 115.82 3hbl h LYS 668 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hbl h LYS 668 Cb 0.10 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3hbl h LYS 668 CO -0.00 0.65 -0.02 0.00 -0.57 0.00 0.00 179.45 179.51 3hbl n ALA 669 N -2.35 2.56 0.00 3.86 0.00 -0.36 -4.89 120.51 119.34 3hbl n ALA 669 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3hbl n ALA 669 Cb 0.34 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3hbl n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 670 N 1.24 0.68 3.69 0.00 0.00 -0.75 -4.48 105.19 105.58 3hbl n GLY 670 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3hbl n GLY 670 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 671 N -1.51 4.17 -0.15 -0.61 -1.09 -0.74 -4.41 121.20 116.86 3hbl s ILE 671 Ca 0.00 1.51 0.08 0.00 -2.23 0.00 0.00 60.65 60.01 3hbl s ILE 671 Cb 0.00 -3.97 -0.15 0.00 -1.58 0.00 0.00 42.46 36.76 3hbl s ILE 671 CO 0.00 0.01 -0.03 0.47 -1.23 0.00 0.00 174.94 174.17 3hbl n ASP 672 N 5.06 2.04 -4.32 3.58 10.43 0.38 -4.27 116.55 129.44 3hbl n ASP 672 Ca 0.11 -0.03 -0.32 0.00 2.57 0.00 0.00 54.79 57.11 3hbl n ASP 672 Cb 0.46 0.43 -0.15 0.00 1.84 0.00 0.00 41.12 43.69 3hbl n ASP 672 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3hbl s VAL 673 N -2.33 2.51 -0.28 2.53 1.01 0.32 -0.76 120.40 123.40 3hbl s VAL 673 Ca -0.13 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 60.99 3hbl s VAL 673 Cb 0.05 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.52 3hbl s VAL 673 CO 0.50 0.56 -0.07 -0.36 0.00 0.00 0.00 175.10 175.73 3hbl s PHE 674 N -0.02 3.36 -0.56 5.22 0.08 -0.15 -1.66 117.98 124.25 3hbl s PHE 674 Ca -0.06 -2.40 -0.28 0.00 0.12 0.00 0.00 56.93 54.30 3hbl s PHE 674 Cb -0.15 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.18 3hbl s PHE 674 CO 0.05 -0.89 1.28 0.50 -0.10 0.00 0.00 175.22 176.06 3hbl s ARG 675 N 1.08 3.46 -0.15 0.44 3.52 -0.40 -1.83 118.95 125.07 3hbl s ARG 675 Ca -0.05 0.38 -0.12 0.00 -0.13 0.00 0.00 55.73 55.80 3hbl s ARG 675 Cb -0.20 -4.05 -0.05 0.00 -1.56 0.00 0.00 34.95 29.10 3hbl s ARG 675 CO -0.05 -1.75 0.26 0.42 -0.81 0.00 0.00 175.30 173.37 3hbl s ILE 676 N 5.34 5.32 0.02 4.11 1.01 0.08 -1.23 121.20 135.86 3hbl s ILE 676 Ca 0.48 0.48 -0.05 0.00 0.00 0.00 0.00 60.65 61.55 3hbl s ILE 676 Cb -0.09 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 3hbl s ILE 676 CO 0.26 0.44 0.09 0.72 0.00 0.00 0.00 174.94 176.45 3hbl s PHE 677 N 0.14 0.16 -0.02 3.97 -0.71 -1.16 -1.21 117.98 119.16 3hbl s PHE 677 Ca 0.16 -0.39 0.07 0.00 -1.04 0.00 0.00 56.93 55.73 3hbl s PHE 677 Cb -0.13 -0.12 -0.02 0.00 -1.21 0.00 0.00 43.02 41.54 3hbl s PHE 677 CO 0.04 -0.31 -0.23 0.34 -1.34 0.00 0.00 175.22 173.71 3hbl s ASP 678 N -1.79 3.31 0.62 1.98 -1.08 -1.26 -0.75 116.67 117.70 3hbl s ASP 678 Ca -0.10 -0.42 0.41 0.00 -0.52 0.00 0.00 52.55 51.92 3hbl s ASP 678 Cb -0.05 -0.46 2.16 0.00 -1.46 0.00 0.00 42.92 43.12 3hbl s ASP 678 CO -0.02 0.32 2.25 0.28 0.52 0.00 0.00 175.17 178.52 3hbl h SER 679 N 5.33 0.00 0.00 -0.34 0.02 -1.90 -2.19 113.55 114.47 3hbl h SER 679 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3hbl h SER 679 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3hbl h SER 679 CO 0.47 0.00 -0.07 0.18 -1.14 0.00 0.00 176.83 176.28 3hbl n LEU 680 N -3.00 1.83 -3.91 5.07 4.77 -1.26 -4.41 117.00 116.09 3hbl n LEU 680 Ca -0.02 -2.39 -0.29 0.00 -0.03 0.00 0.00 56.01 53.28 3hbl n LEU 680 Cb 0.11 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3hbl n LEU 680 CO 0.20 0.56 0.03 0.59 -1.33 0.00 0.00 177.39 177.44 3hbl n ASN 681 N -0.95 -3.51 -4.36 -1.43 3.02 -0.83 -4.31 115.26 102.89 3hbl n ASN 681 Ca 0.09 -0.83 -0.44 0.00 -0.03 0.00 0.00 54.58 53.37 3hbl n ASN 681 Cb 0.55 -3.73 -0.07 0.00 -0.61 0.00 0.00 39.78 35.92 3hbl n ASN 681 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3hbl s TRP 682 N -3.43 3.26 0.19 3.10 -0.00 -1.26 -4.96 118.94 115.83 3hbl s TRP 682 Ca 0.48 -1.07 -0.13 0.00 -0.00 0.00 0.00 56.10 55.38 3hbl s TRP 682 Cb -0.24 -3.28 0.10 0.00 -0.00 0.00 0.00 33.47 30.05 3hbl s TRP 682 CO 0.84 -0.85 1.85 0.28 -0.00 0.00 0.00 176.95 179.07 3hbl h VAL 683 N 5.82 1.14 -1.25 5.86 2.07 -1.96 -0.96 116.25 126.96 3hbl h VAL 683 Ca -0.28 -0.27 0.42 0.00 0.82 0.00 0.00 66.70 67.38 3hbl h VAL 683 Cb 1.11 0.27 -0.13 0.00 -1.52 0.00 0.00 31.29 31.01 3hbl h VAL 683 CO 0.90 0.15 0.79 0.44 0.02 0.00 0.00 177.57 179.87 3hbl h ASP 684 N 0.80 0.28 -0.12 0.57 5.19 -2.01 0.34 116.42 121.47 3hbl h ASP 684 Ca 0.23 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3hbl h ASP 684 Cb -0.07 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3hbl h ASP 684 CO -0.06 -0.18 0.00 1.67 -3.12 0.00 0.00 179.24 177.55 3hbl n GLN 685 N -4.76 1.57 -0.01 3.56 7.27 -0.37 -3.66 117.38 120.99 3hbl n GLN 685 Ca 0.36 -0.85 0.09 0.00 0.07 0.00 0.00 57.00 56.67 3hbl n GLN 685 Cb 1.35 -1.38 -0.14 0.00 2.41 0.00 0.00 30.24 32.48 3hbl n GLN 685 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 3hbl n MET 686 N 0.07 0.66 -0.11 3.69 2.81 0.12 -4.18 117.12 120.18 3hbl n MET 686 Ca 0.16 -0.14 -0.06 0.00 -1.81 0.00 0.00 57.70 55.85 3hbl n MET 686 Cb 0.28 -1.43 0.02 0.00 -0.71 0.00 0.00 33.22 31.38 3hbl n MET 686 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3hbl h LYS 687 N 0.00 0.30 -0.92 0.03 1.57 -1.61 -2.31 116.57 113.62 3hbl h LYS 687 Ca 0.00 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3hbl h LYS 687 Cb 0.77 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 3hbl h LYS 687 CO 0.00 0.20 0.61 0.28 -0.57 0.00 0.00 179.45 179.97 3hbl h VAL 688 N 0.31 1.22 -0.18 0.50 2.07 -1.82 -1.50 116.25 116.86 3hbl h VAL 688 Ca 0.17 -0.42 -0.22 0.00 0.82 0.00 0.00 66.70 67.05 3hbl h VAL 688 Cb 0.13 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.79 3hbl h VAL 688 CO -0.16 0.22 -0.73 0.00 0.02 0.00 0.00 177.57 176.92 3hbl h ALA 689 N 1.43 0.33 0.12 1.67 0.00 -1.80 -3.11 119.26 117.89 3hbl h ALA 689 Ca 0.34 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3hbl h ALA 689 Cb -0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3hbl h ALA 689 CO -0.08 0.67 -0.33 -0.97 0.00 0.00 0.00 179.25 178.54 3hbl h ASN 690 N 0.56 -0.95 -0.53 0.00 -1.24 -0.84 -1.35 115.58 111.24 3hbl h ASN 690 Ca -0.04 0.11 0.09 0.00 0.71 0.00 0.00 56.30 57.17 3hbl h ASN 690 Cb 1.36 0.36 -0.07 0.00 0.73 0.00 0.00 38.32 40.70 3hbl h ASN 690 CO 0.15 -0.41 0.12 -0.33 -1.29 0.00 0.00 177.43 175.67 3hbl h GLU 691 N -0.55 0.26 -0.28 6.67 5.08 -1.35 0.12 114.58 124.52 3hbl h GLU 691 Ca 0.03 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3hbl h GLU 691 Cb 0.58 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 3hbl h GLU 691 CO -0.19 0.17 -0.00 0.00 -1.00 0.00 0.00 179.01 177.98 3hbl h ALA 692 N 1.40 0.25 -0.32 3.43 0.00 -1.43 0.51 119.26 123.10 3hbl h ALA 692 Ca 0.27 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3hbl h ALA 692 Cb 0.36 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3hbl h ALA 692 CO -0.33 -0.42 0.17 0.28 0.00 0.00 0.00 179.25 178.96 3hbl h VAL 693 N 0.08 1.14 -0.45 0.00 2.07 -0.08 -1.55 116.25 117.46 3hbl h VAL 693 Ca 0.14 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.37 3hbl h VAL 693 Cb 0.18 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 3hbl h VAL 693 CO -0.23 0.14 0.01 1.56 0.02 0.00 0.00 177.57 179.07 3hbl h GLN 694 N 0.40 0.12 -0.82 1.57 1.08 -0.44 -1.66 115.11 115.37 3hbl h GLN 694 Ca 0.11 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.38 3hbl h GLN 694 Cb 0.07 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.42 3hbl h GLN 694 CO -0.02 0.08 0.54 1.49 -0.95 0.00 0.00 178.83 179.97 3hbl h GLU 695 N 0.13 0.85 0.00 1.46 4.81 -0.49 -1.57 114.58 119.76 3hbl h GLU 695 Ca 0.22 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3hbl h GLU 695 Cb 0.32 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3hbl h GLU 695 CO -0.36 0.56 0.00 0.00 -0.73 0.00 0.00 179.01 178.48 3hbl n ALA 696 N -2.42 1.95 -2.06 2.92 0.00 -0.62 -4.87 120.51 115.41 3hbl n ALA 696 Ca 0.13 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 3hbl n ALA 696 Cb 0.24 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 3hbl n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 697 N 0.63 0.13 3.82 0.00 0.00 -0.59 -5.02 105.19 104.16 3hbl n GLY 697 Ca 0.05 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 3hbl n GLY 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hbl n LYS 698 N -2.16 0.67 -3.26 1.61 4.76 -1.07 -4.54 118.16 114.17 3hbl n LYS 698 Ca -0.13 -3.44 -0.38 0.00 -2.87 0.00 0.00 58.31 51.49 3hbl n LYS 698 Cb 0.56 0.34 -0.06 0.00 -1.84 0.00 0.00 35.03 34.04 3hbl n LYS 698 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hbl s ILE 699 N -2.74 5.14 -0.26 -0.18 1.01 0.06 -4.55 121.20 119.69 3hbl s ILE 699 Ca 0.33 1.07 -0.04 0.00 0.00 0.00 0.00 60.65 62.01 3hbl s ILE 699 Cb -0.03 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.59 3hbl s ILE 699 CO 0.21 0.32 -0.01 -0.55 0.00 0.00 0.00 174.94 174.91 3hbl s SER 700 N 0.59 4.60 -0.28 3.58 0.15 -1.26 -0.98 113.70 120.10 3hbl s SER 700 Ca 0.29 -0.78 -0.12 0.00 0.70 0.00 0.00 55.95 56.03 3hbl s SER 700 Cb -0.16 -1.74 -0.05 0.00 -1.71 0.00 0.00 66.02 62.36 3hbl s SER 700 CO 0.12 -0.14 0.23 -1.61 1.20 0.00 0.00 173.24 173.04 3hbl s GLU 701 N 1.40 3.93 -0.04 5.44 2.02 -0.76 -0.19 118.70 130.50 3hbl s GLU 701 Ca 0.01 -0.27 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 3hbl s GLU 701 Cb -0.17 -3.67 -0.02 0.00 0.10 0.00 0.00 34.13 30.37 3hbl s GLU 701 CO -0.02 -0.22 0.98 0.20 0.02 0.00 0.00 175.26 176.22 3hbl s GLY 702 N 1.73 2.71 -0.08 -1.39 0.00 -0.10 -0.74 107.32 109.46 3hbl s GLY 702 Ca 0.09 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.28 3hbl s GLY 702 CO 0.11 1.74 -0.09 -1.59 0.00 0.00 0.00 173.10 173.27 3hbl s THR 703 N 1.33 3.53 -0.25 0.90 2.01 -0.35 -0.71 115.64 122.10 3hbl s THR 703 Ca 0.50 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 3hbl s THR 703 Cb -0.20 -2.44 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 3hbl s THR 703 CO 0.24 0.58 0.01 -0.63 -0.69 0.00 0.00 174.62 174.14 3hbl s ILE 704 N -0.59 3.64 0.01 1.82 1.01 -0.44 -4.66 121.20 121.98 3hbl s ILE 704 Ca 0.09 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 3hbl s ILE 704 Cb -0.12 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3hbl s ILE 704 CO 0.02 0.26 0.93 0.00 0.00 0.00 0.00 174.94 176.14 3hbl s TYR 706 N 0.77 3.37 0.46 0.00 5.04 -0.13 -4.94 117.35 121.92 3hbl s TYR 706 Ca 0.48 0.84 0.03 0.00 -2.44 0.00 0.00 57.07 55.98 3hbl s TYR 706 Cb -0.21 -2.73 -0.01 0.00 0.35 0.00 0.00 41.96 39.36 3hbl s TYR 706 CO 0.27 -0.14 0.10 0.95 -1.34 0.00 0.00 175.55 175.39 3hbl s THR 707 N 1.76 0.66 0.00 4.34 -4.23 -1.26 -4.59 115.64 112.31 3hbl s THR 707 Ca 0.26 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3hbl s THR 707 Cb -0.16 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.49 3hbl s THR 707 CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3hbl n GLY 708 N -1.07 -0.27 2.86 3.99 0.00 -1.26 -4.77 105.19 104.66 3hbl n GLY 708 Ca -0.11 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 3hbl n GLY 708 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hbl s ASP 709 N -4.00 0.77 0.32 1.61 3.68 -1.26 -4.87 116.67 112.92 3hbl s ASP 709 Ca 0.00 -0.25 0.24 0.00 2.13 0.00 0.00 52.55 54.67 3hbl s ASP 709 Cb 0.00 0.88 1.17 0.00 -1.45 0.00 0.00 42.92 43.52 3hbl s ASP 709 CO 0.00 -0.34 1.73 0.16 0.13 0.00 0.00 175.17 176.85 3hbl h ILE 710 N 6.21 0.00 0.00 4.11 3.07 -1.86 -2.13 117.51 126.90 3hbl h ILE 710 Ca -0.14 -0.11 -0.08 0.00 1.55 0.00 0.00 64.86 66.07 3hbl h ILE 710 Cb 1.12 0.74 -0.01 0.00 -0.27 0.00 0.00 36.82 38.40 3hbl h ILE 710 CO 0.29 0.00 -0.40 -0.07 -1.05 0.00 0.00 178.15 176.92 3hbl h LEU 711 N 0.00 0.00 -7.94 0.16 3.38 -1.95 -3.43 115.31 105.53 3hbl h LEU 711 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 3hbl h LEU 711 Cb 0.16 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.59 3hbl h LEU 711 CO 0.00 0.40 -0.56 0.21 0.09 0.00 0.00 178.44 178.58 3hbl s ASN 712 N -6.38 5.28 0.45 -0.43 3.84 -0.80 -4.97 114.94 111.92 3hbl s ASN 712 Ca 0.03 -1.76 0.30 0.00 0.21 0.00 0.00 52.86 51.64 3hbl s ASN 712 Cb 0.08 -1.85 1.58 0.00 -0.55 0.00 0.00 41.25 40.52 3hbl s ASN 712 CO 0.71 -0.49 1.93 1.55 -2.79 0.00 0.00 177.10 178.00 3hbl h PRO 713 N 8.13 0.00 0.00 0.43 0.13 -1.82 -1.56 132.00 137.30 3hbl h PRO 713 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3hbl h PRO 713 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3hbl h PRO 713 CO 0.68 0.00 -0.54 0.93 -0.23 0.00 0.00 178.00 178.85 3hbl h GLU 714 N 0.00 0.00 -0.41 0.86 5.08 -1.93 -3.37 114.58 114.81 3hbl h GLU 714 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3hbl h GLU 714 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3hbl h GLU 714 CO 0.00 0.00 0.03 -0.09 -1.00 0.00 0.00 179.01 177.95 3hbl h ARG 715 N 0.00 0.70 -1.72 2.33 9.65 -1.58 -3.46 114.38 120.30 3hbl h ARG 715 Ca 0.00 -0.21 0.05 0.00 -1.10 0.00 0.00 59.98 58.72 3hbl h ARG 715 Cb 0.83 -0.07 -0.25 0.00 -1.39 0.00 0.00 29.97 29.09 3hbl h ARG 715 CO 0.00 0.76 0.31 0.45 2.80 0.00 0.00 179.97 184.29 3hbl s SER 716 N -6.15 -0.60 -0.00 -3.80 0.15 -1.26 -4.97 113.70 97.07 3hbl s SER 716 Ca -0.13 1.06 0.17 0.00 0.70 0.00 0.00 55.95 57.75 3hbl s SER 716 Cb 0.10 1.15 0.48 0.00 -1.71 0.00 0.00 66.02 66.05 3hbl s SER 716 CO 0.79 -0.18 1.40 -0.46 1.20 0.00 0.00 173.24 175.99 3hbl n ASN 717 N 3.02 2.93 -0.09 5.45 6.94 -1.26 -4.41 115.26 127.84 3hbl n ASN 717 Ca -0.15 -2.00 -0.15 0.00 -0.02 0.00 0.00 54.58 52.26 3hbl n ASN 717 Cb 0.57 -0.37 -0.05 0.00 -2.36 0.00 0.00 39.78 37.57 3hbl n ASN 717 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3hbl n ILE 717 N 1.10 1.41 -1.85 1.53 2.08 -1.26 -4.75 119.36 117.62 3hbl n ILE 717 Ca 0.18 -0.02 -0.40 0.00 0.56 0.00 0.00 62.75 63.08 3hbl n ILE 717 Cb 0.46 -2.08 -0.01 0.00 -0.75 0.00 0.00 39.64 37.26 3hbl n ILE 717 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3hbl n TYR 718 N -4.23 2.64 -2.81 1.39 4.02 -1.26 -4.61 117.16 112.30 3hbl n TYR 718 Ca -0.25 -2.90 -0.20 0.00 -0.01 0.00 0.00 57.90 54.54 3hbl n TYR 718 Cb 0.59 -2.06 0.03 0.00 -0.02 0.00 0.00 39.34 37.88 3hbl n TYR 718 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hbl s THR 719 N 0.12 2.93 0.23 -0.72 -4.23 -1.26 -4.48 115.64 108.24 3hbl s THR 719 Ca 0.56 -0.76 -0.07 0.00 -1.18 0.00 0.00 61.69 60.23 3hbl s THR 719 Cb 0.17 -3.06 0.23 0.00 1.34 0.00 0.00 72.50 71.19 3hbl s THR 719 CO -0.07 -0.03 1.66 0.25 -0.54 0.00 0.00 174.62 175.89 3hbl h LEU 720 N 0.29 -0.19 -1.79 4.79 5.85 -1.91 -1.47 115.31 120.88 3hbl h LEU 720 Ca -0.42 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3hbl h LEU 720 Cb 1.29 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 3hbl h LEU 720 CO 0.51 -0.11 -0.15 1.05 -0.34 0.00 0.00 178.44 179.39 3hbl h GLU 721 N 0.17 0.00 -0.38 1.25 4.11 -1.94 -0.12 114.58 117.66 3hbl h GLU 721 Ca 0.38 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.70 3hbl h GLU 721 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3hbl h GLU 721 CO -0.56 0.15 -0.21 -0.92 0.07 0.00 0.00 179.01 177.54 3hbl h TYR 722 N 0.00 0.95 -0.21 2.06 3.20 -1.53 -2.14 116.97 119.29 3hbl h TYR 722 Ca -0.00 -0.24 -0.09 0.00 3.14 0.00 0.00 58.73 61.54 3hbl h TYR 722 Cb 0.33 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 3hbl h TYR 722 CO 0.00 1.00 -0.21 1.88 -1.64 0.00 0.00 178.16 179.19 3hbl h TYR 723 N 0.62 0.62 -0.51 -3.82 -1.99 -0.82 -1.89 116.97 109.18 3hbl h TYR 723 Ca 0.08 -0.19 0.06 0.00 2.00 0.00 0.00 58.73 60.69 3hbl h TYR 723 Cb 0.77 -0.13 -0.06 0.00 2.00 0.00 0.00 36.73 39.31 3hbl h TYR 723 CO 0.06 0.86 0.21 0.28 -0.00 0.00 0.00 178.16 179.57 3hbl h VAL 724 N 0.19 0.86 -0.59 -2.88 2.07 -1.12 -0.05 116.25 114.72 3hbl h VAL 724 Ca 0.03 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3hbl h VAL 724 Cb 0.76 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3hbl h VAL 724 CO 0.05 0.07 0.18 0.50 0.02 0.00 0.00 177.57 178.40 3hbl h LYS 725 N 0.40 0.93 -0.52 1.57 3.11 -1.33 -0.38 116.57 120.35 3hbl h LYS 725 Ca 0.24 -0.20 -0.08 0.00 -2.81 0.00 0.00 60.65 57.81 3hbl h LYS 725 Cb 0.24 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 3hbl h LYS 725 CO -0.23 0.83 0.02 1.25 -2.81 0.00 0.00 179.45 178.51 3hbl h LEU 726 N 0.84 0.84 0.33 5.20 5.85 -1.06 -0.83 115.31 126.48 3hbl h LEU 726 Ca 0.19 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3hbl h LEU 726 Cb 0.29 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3hbl h LEU 726 CO -0.01 0.89 -0.16 0.00 -0.34 0.00 0.00 178.44 178.83 3hbl h ALA 727 N 1.20 -0.45 -0.56 1.25 0.00 -0.60 -1.26 119.26 118.85 3hbl h ALA 727 Ca 0.16 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3hbl h ALA 727 Cb 0.46 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3hbl h ALA 727 CO 0.02 -0.65 0.38 0.87 0.00 0.00 0.00 179.25 179.86 3hbl h LYS 728 N -0.64 0.35 -0.30 0.00 1.57 -0.98 0.10 116.57 116.67 3hbl h LYS 728 Ca -0.05 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 3hbl h LYS 728 Cb 0.46 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3hbl h LYS 728 CO 0.07 0.23 -0.36 1.49 -0.57 0.00 0.00 179.45 180.31 3hbl h GLU 729 N 0.36 0.78 -0.26 3.15 4.81 -0.97 -1.77 114.58 120.68 3hbl h GLU 729 Ca 0.26 -0.44 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 3hbl h GLU 729 Cb 0.54 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3hbl h GLU 729 CO -0.06 1.06 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.78 3hbl h LEU 730 N 0.54 0.68 -0.66 1.64 3.38 -0.05 -1.76 115.31 119.09 3hbl h LEU 730 Ca 0.04 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3hbl h LEU 730 Cb 0.95 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3hbl h LEU 730 CO 0.09 1.02 0.41 -0.08 0.09 0.00 0.00 178.44 179.97 3hbl h GLU 731 N 0.52 0.79 -0.72 1.13 4.81 -1.03 -1.89 114.58 118.19 3hbl h GLU 731 Ca 0.04 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3hbl h GLU 731 Cb 0.96 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 3hbl h GLU 731 CO 0.09 0.53 0.47 0.00 -0.73 0.00 0.00 179.01 179.37 3hbl h ARG 732 N 0.82 0.84 0.00 1.92 3.08 -0.83 -0.55 114.38 119.66 3hbl h ARG 732 Ca 0.26 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3hbl h ARG 732 Cb -0.01 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.85 3hbl h ARG 732 CO -0.09 0.56 0.00 0.39 -1.07 0.00 0.00 179.97 179.75 3hbl n GLU 733 N -4.46 0.07 -1.56 0.04 -0.58 -0.71 -4.90 120.64 108.55 3hbl n GLU 733 Ca 0.09 0.35 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 3hbl n GLU 733 Cb 0.12 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 3hbl n GLU 733 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hbl n GLY 734 N -0.17 0.80 3.78 0.62 0.00 -0.21 -5.03 105.19 104.97 3hbl n GLY 734 Ca 0.03 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 3hbl n GLY 734 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbl s PHE 735 N -2.10 3.11 -0.31 1.61 0.40 -1.20 -4.96 117.98 114.52 3hbl s PHE 735 Ca 0.00 1.59 0.20 0.00 -0.60 0.00 0.00 56.93 58.13 3hbl s PHE 735 Cb 0.00 -3.25 0.18 0.00 0.51 0.00 0.00 43.02 40.45 3hbl s PHE 735 CO 0.00 -1.02 1.41 0.45 0.70 0.00 0.00 175.22 176.76 3hbl h HIS 736 N 2.37 0.00 -3.29 0.36 3.86 -0.95 -3.46 115.15 114.04 3hbl h HIS 736 Ca -0.49 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.59 3hbl h HIS 736 Cb 1.23 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.49 3hbl h HIS 736 CO 0.56 0.17 -0.40 0.42 0.86 0.00 0.00 177.93 179.54 3hbl s ILE 737 N -3.15 0.07 -0.32 2.45 1.01 -1.08 -4.51 121.20 115.66 3hbl s ILE 737 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 3hbl s ILE 737 Cb 0.07 -0.50 0.02 0.00 0.01 0.00 0.00 42.46 42.05 3hbl s ILE 737 CO 0.72 -0.31 0.12 -0.22 0.00 0.00 0.00 174.94 175.25 3hbl s LEU 738 N -1.27 4.15 -0.02 2.97 2.96 -0.67 -0.92 118.68 125.89 3hbl s LEU 738 Ca -0.13 -0.84 -0.17 0.00 -0.22 0.00 0.00 54.13 52.77 3hbl s LEU 738 Cb -0.06 -1.92 -0.06 0.00 0.50 0.00 0.00 46.19 44.65 3hbl s LEU 738 CO 0.03 -0.26 0.46 0.00 -1.32 0.00 0.00 176.35 175.26 3hbl s ALA 739 N 1.50 3.62 -0.31 5.97 0.00 0.11 0.33 121.76 132.98 3hbl s ALA 739 Ca 0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.73 3hbl s ALA 739 Cb -0.18 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 3hbl s ALA 739 CO 0.04 0.34 0.15 0.42 0.00 0.00 0.00 175.76 176.70 3hbl s ILE 740 N -0.63 4.50 -0.46 0.00 -1.09 0.24 -1.33 121.20 122.44 3hbl s ILE 740 Ca 0.25 -0.50 -0.14 0.00 -2.23 0.00 0.00 60.65 58.04 3hbl s ILE 740 Cb -0.17 -3.32 0.07 0.00 -1.58 0.00 0.00 42.46 37.47 3hbl s ILE 740 CO 0.14 0.04 0.36 -0.75 -1.23 0.00 0.00 174.94 173.50 3hbl s LYS 741 N 1.59 2.87 -0.99 2.79 2.20 -0.29 -0.35 119.74 127.56 3hbl s LYS 741 Ca 0.04 -1.38 -0.12 0.00 -0.36 0.00 0.00 55.97 54.14 3hbl s LYS 741 Cb -0.17 -4.03 0.23 0.00 -1.51 0.00 0.00 37.83 32.34 3hbl s LYS 741 CO 0.06 -1.01 1.01 0.34 -0.36 0.00 0.00 175.35 175.39 3hbl s ASP 742 N 2.47 7.01 0.34 1.43 2.15 0.93 -0.95 116.67 130.05 3hbl s ASP 742 Ca 0.04 -3.02 0.18 0.00 0.43 0.00 0.00 52.55 50.17 3hbl s ASP 742 Cb -0.24 -2.25 0.51 0.00 -0.30 0.00 0.00 42.92 40.64 3hbl s ASP 742 CO 0.05 -0.52 1.65 0.00 -0.17 0.00 0.00 175.17 176.18 3hbl h MET 743 N 7.37 0.00 -0.39 4.34 -0.00 -1.82 -3.04 114.93 121.38 3hbl h MET 743 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.86 3hbl h MET 743 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.56 3hbl h MET 743 CO 0.94 0.43 0.00 0.00 -0.00 0.00 0.00 176.91 178.27 3hbl n ALA 744 N -2.28 2.44 -3.71 -3.00 0.00 -1.26 -1.28 120.51 111.42 3hbl n ALA 744 Ca 0.00 -1.43 -0.24 0.00 0.00 0.00 0.00 53.44 51.77 3hbl n ALA 744 Cb 0.58 -0.59 0.05 0.00 0.00 0.00 0.00 19.45 19.49 3hbl n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 745 N 0.48 -0.43 0.25 0.00 0.00 -1.16 -4.86 105.19 99.46 3hbl n GLY 745 Ca 0.16 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.47 3hbl n GLY 745 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbl n LEU 746 N -4.58 1.48 -4.56 0.99 4.77 -1.26 -4.68 117.00 109.15 3hbl n LEU 746 Ca -0.10 -0.59 -0.35 0.00 -0.03 0.00 0.00 56.01 54.93 3hbl n LEU 746 Cb 0.60 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 3hbl n LEU 746 CO 0.69 0.30 1.49 -0.22 -1.33 0.00 0.00 177.39 178.33 3hbl s LEU 747 N -2.73 3.39 0.60 2.23 2.96 -1.26 -4.90 118.68 118.97 3hbl s LEU 747 Ca 0.14 -1.33 -0.20 0.00 -0.22 0.00 0.00 54.13 52.53 3hbl s LEU 747 Cb 0.17 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 3hbl s LEU 747 CO 0.71 -2.01 1.33 -0.54 -1.32 0.00 0.00 176.35 174.52 3hbl s LYS 748 N 5.69 2.81 0.14 1.98 1.02 -1.26 -4.69 119.74 125.42 3hbl s LYS 748 Ca 0.57 2.15 -0.30 0.00 0.02 0.00 0.00 55.97 58.41 3hbl s LYS 748 Cb -0.02 -2.03 -0.06 0.00 -0.52 0.00 0.00 37.83 35.21 3hbl s LYS 748 CO -0.03 -1.42 1.56 -1.35 -0.92 0.00 0.00 175.35 173.18 3hbl h PRO 749 N 0.95 -0.34 0.00 -1.68 0.11 -1.88 0.12 132.00 129.28 3hbl h PRO 749 Ca -0.51 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3hbl h PRO 749 Cb 1.32 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.51 3hbl h PRO 749 CO 0.55 -0.22 -0.05 -0.22 -0.21 0.00 0.00 178.00 177.84 3hbl h LYS 750 N -0.35 0.00 -0.15 1.05 3.11 -1.93 -0.48 116.57 117.81 3hbl h LYS 750 Ca 0.11 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.83 3hbl h LYS 750 Cb 0.59 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.81 3hbl h LYS 750 CO -0.61 0.05 -0.41 0.00 -2.81 0.00 0.00 179.45 175.67 3hbl h ALA 751 N 1.95 1.01 0.10 5.00 0.00 -1.19 -2.09 119.26 124.04 3hbl h ALA 751 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3hbl h ALA 751 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hbl h ALA 751 CO 0.01 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.82 3hbl h ALA 752 N 1.27 -0.14 -0.48 0.00 0.00 0.47 0.11 119.26 120.49 3hbl h ALA 752 Ca 0.03 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.85 3hbl h ALA 752 Cb 0.86 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3hbl h ALA 752 CO 0.07 -0.41 0.05 -0.92 0.00 0.00 0.00 179.25 178.04 3hbl h TYR 753 N -0.48 0.07 -0.07 0.00 3.20 -1.38 -0.82 116.97 117.49 3hbl h TYR 753 Ca -0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3hbl h TYR 753 Cb 0.39 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 3hbl h TYR 753 CO 0.03 -0.05 -0.06 0.93 -1.64 0.00 0.00 178.16 177.37 3hbl h GLU 754 N 0.17 0.17 -0.16 1.82 5.08 -1.31 0.31 114.58 120.67 3hbl h GLU 754 Ca 0.24 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3hbl h GLU 754 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3hbl h GLU 754 CO -0.36 0.59 0.08 1.25 -1.00 0.00 0.00 179.01 179.58 3hbl h LEU 755 N -0.24 0.21 -0.31 1.33 5.85 -0.62 0.23 115.31 121.76 3hbl h LEU 755 Ca 0.01 -0.12 -0.20 0.00 0.84 0.00 0.00 57.88 58.42 3hbl h LEU 755 Cb 0.56 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3hbl h LEU 755 CO 0.02 0.27 -0.77 0.40 -0.34 0.00 0.00 178.44 178.01 3hbl h ILE 756 N 0.14 1.36 -0.18 4.05 2.04 -1.25 -0.09 117.51 123.58 3hbl h ILE 756 Ca 0.06 -2.14 0.05 0.00 1.00 0.00 0.00 64.86 63.83 3hbl h ILE 756 Cb 0.11 2.12 -0.06 0.00 -0.74 0.00 0.00 36.82 38.25 3hbl h ILE 756 CO -0.01 0.65 -0.21 1.23 0.00 0.00 0.00 178.15 179.81 3hbl h GLY 757 N 1.10 -0.15 2.00 5.37 0.00 -0.73 -1.85 103.07 108.82 3hbl h GLY 757 Ca -0.04 0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.47 3hbl h GLY 757 CO 0.14 -0.19 -0.38 0.83 0.00 0.00 0.00 176.54 176.95 3hbl h GLU 758 N -0.24 0.00 0.09 4.80 4.39 -0.41 -3.25 114.58 119.95 3hbl h GLU 758 Ca 0.12 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.56 3hbl h GLU 758 Cb 0.42 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3hbl h GLU 758 CO -0.32 0.38 -1.14 -0.07 -1.16 0.00 0.00 179.01 176.69 3hbl h LEU 759 N 0.00 0.50 -1.50 1.33 3.38 -0.68 -2.99 115.31 115.35 3hbl h LEU 759 Ca -0.00 -0.48 0.06 0.00 0.09 0.00 0.00 57.88 57.55 3hbl h LEU 759 Cb 0.71 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3hbl h LEU 759 CO 0.05 1.33 0.41 0.11 0.09 0.00 0.00 178.44 180.43 3hbl h LYS 760 N 0.14 0.60 -0.10 1.13 1.57 -1.38 -2.02 116.57 116.52 3hbl h LYS 760 Ca -0.12 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 3hbl h LYS 760 Cb 1.83 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.01 3hbl h LYS 760 CO 0.19 0.39 -0.19 0.77 -0.57 0.00 0.00 179.45 180.05 3hbl h SER 761 N 0.61 0.33 -0.52 0.86 0.02 -1.65 -3.35 113.55 109.85 3hbl h SER 761 Ca 0.27 -0.56 -0.06 0.00 -0.84 0.00 0.00 61.79 60.59 3hbl h SER 761 Cb 0.27 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3hbl h SER 761 CO -0.08 0.83 0.10 0.00 -1.14 0.00 0.00 176.83 176.54 3hbl h ALA 762 N 0.51 1.11 -2.41 3.77 0.00 -1.30 -3.45 119.26 117.50 3hbl h ALA 762 Ca 0.00 -0.23 -0.32 0.00 0.00 0.00 0.00 54.91 54.36 3hbl h ALA 762 Cb 0.77 -0.23 -0.16 0.00 0.00 0.00 0.00 17.79 18.18 3hbl h ALA 762 CO 0.04 0.59 -0.72 0.14 0.00 0.00 0.00 179.25 179.30 3hbl s VAL 763 N -5.17 1.05 -0.71 0.00 -7.23 -0.80 -4.86 120.40 102.68 3hbl s VAL 763 Ca -0.10 -1.91 0.23 0.00 -1.81 0.00 0.00 61.98 58.39 3hbl s VAL 763 Cb 0.15 -1.67 -0.08 0.00 0.56 0.00 0.00 36.38 35.34 3hbl s VAL 763 CO 0.82 -0.69 1.11 0.47 -0.31 0.00 0.00 175.10 176.50 3hbl n ASP 765 N 0.08 0.63 -4.75 4.85 10.43 -1.26 -4.63 116.55 121.90 3hbl n ASP 765 Ca -0.12 -0.24 -0.42 0.00 2.57 0.00 0.00 54.79 56.58 3hbl n ASP 765 Cb 0.60 0.65 -0.00 0.00 1.84 0.00 0.00 41.12 44.21 3hbl n ASP 765 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3hbl n LEU 766 N -1.87 4.33 -4.77 0.64 4.32 -1.26 -5.00 117.00 113.40 3hbl n LEU 766 Ca 0.03 1.22 -0.35 0.00 -0.02 0.00 0.00 56.01 56.89 3hbl n LEU 766 Cb 0.41 -1.57 0.02 0.00 -1.62 0.00 0.00 43.42 40.66 3hbl n LEU 766 CO 0.39 -0.07 0.78 -2.16 -1.22 0.00 0.00 177.39 175.11 3hbl s PRO 767 N -2.01 3.15 -0.14 3.23 0.04 -1.26 -4.79 135.00 133.22 3hbl s PRO 767 Ca 0.54 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 3hbl s PRO 767 Cb -0.51 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 3hbl s PRO 767 CO 0.63 -1.01 -0.01 0.42 0.04 0.00 0.00 177.00 177.08 3hbl s ILE 768 N -1.88 4.21 -0.32 0.56 1.01 -1.26 -1.66 121.20 121.86 3hbl s ILE 768 Ca 0.72 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.10 3hbl s ILE 768 Cb -0.24 -2.83 0.07 0.00 0.01 0.00 0.00 42.46 39.46 3hbl s ILE 768 CO 0.31 0.52 0.03 -2.28 0.00 0.00 0.00 174.94 173.53 3hbl s HIS 769 N -0.05 3.37 -0.11 3.97 2.46 0.15 -2.02 115.29 123.06 3hbl s HIS 769 Ca 0.03 -2.12 -0.09 0.00 0.47 0.00 0.00 55.06 53.35 3hbl s HIS 769 Cb -0.13 -2.37 -0.04 0.00 -0.13 0.00 0.00 32.58 29.91 3hbl s HIS 769 CO 0.02 -0.86 0.19 -1.17 -2.47 0.00 0.00 174.74 170.45 3hbl s LEU 770 N 1.18 4.37 -0.07 8.88 2.96 -0.06 -0.59 118.68 135.36 3hbl s LEU 770 Ca -0.02 0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3hbl s LEU 770 Cb -0.20 -2.17 0.03 0.00 0.50 0.00 0.00 46.19 44.35 3hbl s LEU 770 CO -0.03 0.35 -0.01 -2.28 -1.32 0.00 0.00 176.35 173.07 3hbl s HIS 771 N -0.80 0.74 0.32 5.38 5.65 0.52 -1.53 115.29 125.58 3hbl s HIS 771 Ca 0.16 -0.22 0.03 0.00 0.25 0.00 0.00 55.06 55.28 3hbl s HIS 771 Cb -0.13 -0.84 -0.06 0.00 -1.18 0.00 0.00 32.58 30.38 3hbl s HIS 771 CO 0.05 -0.34 0.07 -0.08 -0.65 0.00 0.00 174.74 173.79 3hbl s THR 772 N 1.94 1.00 0.08 0.89 -1.32 -1.26 -0.05 115.64 116.92 3hbl s THR 772 Ca 0.05 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.61 3hbl s THR 772 Cb -0.12 -2.71 -0.04 0.00 -1.51 0.00 0.00 72.50 68.12 3hbl s THR 772 CO -0.05 0.00 -0.18 -1.00 -2.21 0.00 0.00 174.62 171.17 3hbl s HIS 773 N -3.38 2.54 -0.44 9.09 3.76 -1.18 -4.46 115.29 121.22 3hbl s HIS 773 Ca 0.35 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 55.03 3hbl s HIS 773 Cb 0.08 -1.40 0.62 0.00 1.11 0.00 0.00 32.58 32.99 3hbl s HIS 773 CO 0.15 0.32 1.88 -3.47 -0.85 0.00 0.00 174.74 172.78 3hbl n ASP 774 N 1.15 4.00 0.25 1.40 4.64 0.54 -4.34 116.55 124.19 3hbl n ASP 774 Ca -0.16 -3.54 0.11 0.00 -1.38 0.00 0.00 54.79 49.82 3hbl n ASP 774 Cb 0.52 -0.83 0.68 0.00 -1.04 0.00 0.00 41.12 40.45 3hbl n ASP 774 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hbl h THR 775 N 0.95 0.67 0.00 5.18 1.03 -1.51 -0.88 112.91 118.35 3hbl h THR 775 Ca 0.60 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 66.42 3hbl h THR 775 Cb 2.64 1.36 0.00 0.00 -1.07 0.00 0.00 68.15 71.08 3hbl h THR 775 CO 1.09 0.14 -0.82 -1.54 -0.01 0.00 0.00 175.52 174.37 3hbl n SER 776 N -3.75 0.64 0.00 0.00 3.41 -1.26 -1.33 113.62 111.33 3hbl n SER 776 Ca -0.02 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 3hbl n SER 776 Cb 0.25 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 3hbl n SER 776 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hbl n GLY 777 N 1.43 0.78 1.42 5.00 0.00 -0.35 -4.42 105.19 109.05 3hbl n GLY 777 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 3hbl n GLY 777 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hbl n ASN 778 N 0.00 4.27 -0.07 1.61 5.03 -1.26 -4.73 115.26 120.10 3hbl n ASN 778 Ca 0.00 -2.21 -0.05 0.00 0.87 0.00 0.00 54.58 53.19 3hbl n ASN 778 Cb 0.00 -0.52 -0.04 0.00 -1.02 0.00 0.00 39.78 38.20 3hbl n ASN 778 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3hbl h GLY 779 N 4.06 -1.63 0.32 7.41 0.00 -1.84 -0.96 103.07 110.42 3hbl h GLY 779 Ca 0.00 0.82 0.13 0.00 0.00 0.00 0.00 47.33 48.28 3hbl h GLY 779 CO 0.10 -0.51 0.41 1.41 0.00 0.00 0.00 176.54 177.95 3hbl h LEU 780 N -0.14 0.51 -0.35 3.11 3.38 -1.97 -1.11 115.31 118.74 3hbl h LEU 780 Ca 0.03 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3hbl h LEU 780 Cb 0.23 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3hbl h LEU 780 CO -0.26 0.24 0.09 -0.07 0.09 0.00 0.00 178.44 178.54 3hbl h LEU 781 N 0.62 0.07 -0.58 1.67 4.07 -1.79 0.20 115.31 119.57 3hbl h LEU 781 Ca 0.42 0.05 0.04 0.00 0.08 0.00 0.00 57.88 58.47 3hbl h LEU 781 Cb 0.54 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.29 3hbl h LEU 781 CO -0.33 0.07 0.34 0.74 -1.08 0.00 0.00 178.44 178.19 3hbl h THR 782 N 0.23 1.03 0.25 0.22 2.02 -0.03 0.29 112.91 116.92 3hbl h THR 782 Ca 0.16 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3hbl h THR 782 Cb 0.17 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3hbl h THR 782 CO -0.20 0.12 -0.12 1.88 0.37 0.00 0.00 175.52 177.58 3hbl h TYR 783 N 0.66 -0.31 -0.67 3.16 0.99 -0.70 0.19 116.97 120.29 3hbl h TYR 783 Ca 0.24 -0.01 0.12 0.00 2.00 0.00 0.00 58.73 61.09 3hbl h TYR 783 Cb 0.07 0.10 -0.08 0.00 1.00 0.00 0.00 36.73 37.82 3hbl h TYR 783 CO -0.07 -0.12 0.24 -0.22 -0.00 0.00 0.00 178.16 177.99 3hbl h LYS 784 N -0.43 0.39 -0.14 4.88 3.11 -0.44 0.17 116.57 124.11 3hbl h LYS 784 Ca -0.03 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.70 3hbl h LYS 784 Cb 0.33 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 3hbl h LYS 784 CO 0.06 0.25 -0.29 1.96 -2.81 0.00 0.00 179.45 178.62 3hbl h GLN 785 N 0.40 0.26 -0.51 1.90 1.08 -0.63 -1.93 115.11 115.68 3hbl h GLN 785 Ca 0.36 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 57.37 3hbl h GLN 785 Cb 0.50 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 3hbl h GLN 785 CO -0.37 0.53 -0.06 0.00 -0.95 0.00 0.00 178.83 177.99 3hbl h ALA 786 N 1.47 0.69 -0.61 3.87 0.00 0.90 -2.81 119.26 122.77 3hbl h ALA 786 Ca 0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3hbl h ALA 786 Cb 0.64 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hbl h ALA 786 CO 0.05 0.55 0.23 0.82 0.00 0.00 0.00 179.25 180.90 3hbl h ILE 787 N 0.80 1.24 -0.61 0.00 2.04 -0.31 -1.68 117.51 118.99 3hbl h ILE 787 Ca 0.14 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.28 3hbl h ILE 787 Cb 0.60 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3hbl h ILE 787 CO 0.04 0.29 0.41 0.44 0.00 0.00 0.00 178.15 179.33 3hbl h ASP 788 N 0.86 0.61 1.20 1.72 3.32 -1.36 -1.60 116.42 121.18 3hbl h ASP 788 Ca 0.20 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hbl h ASP 788 Cb 0.23 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3hbl h ASP 788 CO -0.01 0.42 0.00 0.00 -1.72 0.00 0.00 179.24 177.93 3hbl n ALA 789 N -2.46 2.13 0.00 3.45 0.00 -0.73 -4.91 120.51 117.99 3hbl n ALA 789 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3hbl n ALA 789 Cb 0.14 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3hbl n ALA 789 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 790 N 1.00 1.34 3.73 0.00 0.00 -0.60 -4.34 105.19 106.32 3hbl n GLY 790 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3hbl n GLY 790 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hbl n VAL 791 N -1.23 2.35 -0.08 1.61 3.14 -0.71 -4.93 118.33 118.48 3hbl n VAL 791 Ca 0.00 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.74 3hbl n VAL 791 Cb 0.00 -1.70 -0.09 0.00 -1.06 0.00 0.00 33.84 30.99 3hbl n VAL 791 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3hbl h ASP 792 N 2.40 0.00 -4.05 6.55 3.32 -1.84 -3.46 116.42 119.34 3hbl h ASP 792 Ca -0.48 -0.54 -0.45 0.00 0.02 0.00 0.00 57.03 55.57 3hbl h ASP 792 Cb 1.28 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.53 3hbl h ASP 792 CO 0.61 1.08 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.78 3hbl s ILE 793 N -2.18 0.96 0.10 0.35 1.01 -0.86 -1.26 121.20 119.31 3hbl s ILE 793 Ca -0.19 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.05 3hbl s ILE 793 Cb 0.01 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 3hbl s ILE 793 CO 0.49 0.28 -0.23 0.27 0.00 0.00 0.00 174.94 175.74 3hbl s ILE 794 N -0.16 1.93 -0.39 2.92 -4.36 -0.44 -0.88 121.20 119.83 3hbl s ILE 794 Ca 0.02 -1.54 -0.22 0.00 -0.26 0.00 0.00 60.65 58.65 3hbl s ILE 794 Cb -0.06 -1.71 0.01 0.00 1.25 0.00 0.00 42.46 41.95 3hbl s ILE 794 CO -0.00 0.08 0.72 -1.81 0.24 0.00 0.00 174.94 174.17 3hbl s ASP 795 N -1.76 6.45 0.49 4.36 1.11 -0.58 -1.02 116.67 125.71 3hbl s ASP 795 Ca 0.10 0.09 0.04 0.00 0.18 0.00 0.00 52.55 52.95 3hbl s ASP 795 Cb -0.10 -2.36 -0.02 0.00 1.07 0.00 0.00 42.92 41.51 3hbl s ASP 795 CO 0.04 -0.74 0.12 0.42 1.18 0.00 0.00 175.17 176.19 3hbl s THR 796 N 2.99 1.58 0.05 -1.27 -4.23 -0.56 -4.51 115.64 109.70 3hbl s THR 796 Ca 0.28 -1.84 -0.05 0.00 -1.18 0.00 0.00 61.69 58.90 3hbl s THR 796 Cb -0.13 -2.42 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 3hbl s THR 796 CO 0.18 0.00 0.09 0.00 -0.54 0.00 0.00 174.62 174.35 3hbl s ALA 797 N -2.78 0.03 0.29 3.99 0.00 -0.86 -1.33 121.76 121.09 3hbl s ALA 797 Ca 0.22 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 3hbl s ALA 797 Cb 0.02 0.32 -0.13 0.00 0.00 0.00 0.00 23.12 23.33 3hbl s ALA 797 CO 0.12 -0.38 1.29 0.28 0.00 0.00 0.00 175.76 177.07 3hbl n VAL 798 N 0.38 1.54 -0.30 0.00 0.31 -1.26 -1.14 118.33 117.86 3hbl n VAL 798 Ca -0.17 -0.38 -0.01 0.00 -0.01 0.00 0.00 64.34 63.77 3hbl n VAL 798 Cb 0.60 -1.42 0.05 0.00 -0.91 0.00 0.00 33.84 32.16 3hbl n VAL 798 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hbl h ALA 799 N 3.16 0.22 0.00 3.52 0.00 -1.92 0.56 119.26 124.79 3hbl h ALA 799 Ca -0.45 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hbl h ALA 799 Cb 1.29 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.90 3hbl h ALA 799 CO 0.68 -0.57 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 3hbl n SER 800 N -5.48 0.25 -0.66 0.00 3.41 -1.26 -1.61 113.62 108.26 3hbl n SER 800 Ca 0.09 0.57 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 3hbl n SER 800 Cb 0.39 -0.62 0.23 0.00 -0.26 0.00 0.00 64.21 63.95 3hbl n SER 800 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hbl n MET 801 N -1.78 2.44 -3.80 4.33 2.00 0.19 -4.74 117.12 115.76 3hbl n MET 801 Ca 0.02 -2.78 -0.24 0.00 0.00 0.00 0.00 57.70 54.70 3hbl n MET 801 Cb 0.16 -1.75 -0.02 0.00 0.00 0.00 0.00 33.22 31.60 3hbl n MET 801 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3hbl n SER 802 N -0.79 2.78 0.00 7.83 3.41 -0.63 -4.70 113.62 121.53 3hbl n SER 802 Ca 0.20 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 3hbl n SER 802 Cb 0.82 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 3hbl n SER 802 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hbl n GLY 803 N -0.32 -1.22 7.00 5.00 0.00 -0.63 -4.79 105.19 110.23 3hbl n GLY 803 Ca -0.09 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3hbl n GLY 803 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbl n LEU 804 N -1.51 0.00 0.00 0.99 4.77 -1.14 -1.05 117.00 119.06 3hbl n LEU 804 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3hbl n LEU 804 Cb 0.00 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.24 3hbl n LEU 804 CO 0.00 0.00 0.40 0.35 -1.33 0.00 0.00 177.39 176.81 3hbl n THR 805 N 0.00 0.12 -2.00 -5.08 -2.24 -1.26 -1.53 114.28 102.29 3hbl n THR 805 Ca 0.00 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3hbl n THR 805 Cb 0.00 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 3hbl n THR 805 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3hbl n SER 806 N -1.04 0.00 -4.92 3.42 2.88 -0.22 -4.65 113.62 109.09 3hbl n SER 806 Ca 0.04 -0.93 -0.26 0.00 -1.33 0.00 0.00 58.87 56.38 3hbl n SER 806 Cb 0.02 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.52 3hbl n SER 806 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3hbl s GLN 807 N -2.18 2.80 0.61 -1.46 -1.52 -1.26 -0.34 119.66 116.31 3hbl s GLN 807 Ca 0.00 -0.10 -0.19 0.00 -1.95 0.00 0.00 55.36 53.12 3hbl s GLN 807 Cb 0.00 -2.28 -0.03 0.00 -0.22 0.00 0.00 33.01 30.48 3hbl s GLN 807 CO 0.00 -0.76 1.12 -2.30 -0.25 0.00 0.00 175.29 173.09 3hbl n PRO 808 N -2.60 1.04 -1.91 2.91 -0.02 -1.26 -1.61 135.00 131.55 3hbl n PRO 808 Ca 0.05 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 3hbl n PRO 808 Cb 0.58 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 3hbl n PRO 808 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hbl s SER 809 N -1.26 6.40 0.16 2.55 0.15 -1.26 -2.03 113.70 118.41 3hbl s SER 809 Ca 0.78 2.14 -0.15 0.00 0.70 0.00 0.00 55.95 59.42 3hbl s SER 809 Cb -0.40 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.43 3hbl s SER 809 CO 0.45 -1.16 1.80 0.00 1.20 0.00 0.00 173.24 175.53 3hbl h ALA 810 N 10.72 0.54 -0.61 5.45 0.00 -1.46 -1.08 119.26 132.81 3hbl h ALA 810 Ca -0.40 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.61 3hbl h ALA 810 Cb 1.19 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 3hbl h ALA 810 CO 0.96 -0.09 0.17 -0.91 0.00 0.00 0.00 179.25 179.39 3hbl h ASN 811 N 0.49 0.09 -0.52 0.00 2.35 -1.91 0.44 115.58 116.52 3hbl h ASN 811 Ca 0.17 0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.90 3hbl h ASN 811 Cb 0.03 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3hbl h ASN 811 CO -0.09 0.05 -0.16 0.28 -1.65 0.00 0.00 177.43 175.87 3hbl h SER 812 N 0.31 1.03 -0.41 5.81 0.02 -1.86 -3.17 113.55 115.28 3hbl h SER 812 Ca 0.32 -0.37 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3hbl h SER 812 Cb 0.45 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3hbl h SER 812 CO -0.37 1.17 0.01 0.25 -1.14 0.00 0.00 176.83 176.75 3hbl h LEU 813 N 0.88 0.70 -0.84 5.07 5.85 -0.17 -0.75 115.31 126.06 3hbl h LEU 813 Ca 0.13 -0.30 0.18 0.00 0.84 0.00 0.00 57.88 58.73 3hbl h LEU 813 Cb 0.73 -0.19 -0.16 0.00 0.37 0.00 0.00 40.66 41.42 3hbl h LEU 813 CO 0.06 0.83 -0.14 0.22 -0.34 0.00 0.00 178.44 179.07 3hbl h TYR 814 N 0.56 -0.32 0.06 1.25 3.20 -0.92 -1.55 116.97 119.24 3hbl h TYR 814 Ca 0.12 0.07 -0.27 0.00 3.14 0.00 0.00 58.73 61.79 3hbl h TYR 814 Cb 0.46 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 3hbl h TYR 814 CO 0.04 -0.34 -1.36 1.88 -1.64 0.00 0.00 178.16 176.73 3hbl h TYR 815 N 0.02 0.22 -0.95 -3.82 -1.99 -1.56 -3.31 116.97 105.59 3hbl h TYR 815 Ca 0.43 -0.16 0.18 0.00 2.00 0.00 0.00 58.73 61.18 3hbl h TYR 815 Cb 0.71 -0.01 -0.08 0.00 2.00 0.00 0.00 36.73 39.34 3hbl h TYR 815 CO -0.59 1.17 0.60 0.00 -0.00 0.00 0.00 178.16 179.35 3hbl h ALA 816 N 0.76 1.89 0.00 3.88 0.00 -0.18 -0.94 119.26 124.67 3hbl h ALA 816 Ca -0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hbl h ALA 816 Cb 1.93 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3hbl h ALA 816 CO 0.14 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3hbl n LEU 817 N -4.62 0.45 -4.54 0.00 4.77 -0.77 -4.87 117.00 107.43 3hbl n LEU 817 Ca 0.20 0.54 -0.51 0.00 -0.03 0.00 0.00 56.01 56.21 3hbl n LEU 817 Cb 0.58 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 3hbl n LEU 817 CO 0.27 -0.10 0.60 0.59 -1.33 0.00 0.00 177.39 177.42 3hbl n ASN 818 N -1.92 0.73 0.00 -1.43 5.03 -0.36 -0.45 115.26 116.85 3hbl n ASN 818 Ca 0.06 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.65 3hbl n ASN 818 Cb 0.39 -1.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.04 3hbl n ASN 818 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hbl n GLY 819 N 1.94 1.99 3.98 7.41 0.00 -1.26 -5.03 105.19 114.22 3hbl n GLY 819 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3hbl n GLY 819 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbl s PHE 820 N -2.86 3.13 0.50 1.61 0.40 0.41 -5.02 117.98 116.15 3hbl s PHE 820 Ca 0.00 -0.21 0.41 0.00 -0.60 0.00 0.00 56.93 56.54 3hbl s PHE 820 Cb 0.00 -1.94 2.13 0.00 0.51 0.00 0.00 43.02 43.72 3hbl s PHE 820 CO 0.00 0.05 2.26 -1.35 0.70 0.00 0.00 175.22 176.88 3hbl h PRO 821 N 0.95 0.00 -4.12 0.24 0.11 -1.96 -3.43 132.00 123.79 3hbl h PRO 821 Ca -0.46 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.25 3hbl h PRO 821 Cb 1.25 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.04 3hbl h PRO 821 CO 0.54 0.00 -0.77 1.03 -0.21 0.00 0.00 178.00 178.59 3hbl s ARG 822 N -4.01 0.75 0.02 1.05 0.52 -1.26 -5.04 118.95 110.99 3hbl s ARG 822 Ca -0.03 -0.13 -0.01 0.00 -0.52 0.00 0.00 55.73 55.03 3hbl s ARG 822 Cb 0.12 -0.75 -0.04 0.00 0.52 0.00 0.00 34.95 34.79 3hbl s ARG 822 CO 0.44 -0.03 0.19 -1.58 0.02 0.00 0.00 175.30 174.35 3hbl s HIS 823 N 0.66 3.53 -0.26 -0.53 5.65 -1.26 -4.89 115.29 118.20 3hbl s HIS 823 Ca -0.09 0.31 -0.27 0.00 0.25 0.00 0.00 55.06 55.26 3hbl s HIS 823 Cb -0.12 -1.80 0.01 0.00 -1.18 0.00 0.00 32.58 29.49 3hbl s HIS 823 CO 0.00 0.62 0.95 -1.17 -0.65 0.00 0.00 174.74 174.49 3hbl s LEU 824 N -2.20 4.06 -0.78 8.88 2.96 -1.26 -1.63 118.68 128.71 3hbl s LEU 824 Ca 0.31 1.12 -0.26 0.00 -0.22 0.00 0.00 54.13 55.08 3hbl s LEU 824 Cb -0.13 -3.37 0.01 0.00 0.50 0.00 0.00 46.19 43.20 3hbl s LEU 824 CO 0.23 -0.65 1.55 -0.60 -1.32 0.00 0.00 176.35 175.55 3hbl s ARG 825 N 3.14 3.04 0.09 1.98 3.52 -0.67 -4.88 118.95 125.18 3hbl s ARG 825 Ca 0.40 -0.20 -0.20 0.00 -0.13 0.00 0.00 55.73 55.60 3hbl s ARG 825 Cb -0.14 -4.58 0.07 0.00 -1.56 0.00 0.00 34.95 28.74 3hbl s ARG 825 CO 0.09 -2.47 0.95 -2.37 -0.81 0.00 0.00 175.30 170.70 3hbl n THR 826 N 6.88 0.00 -3.86 4.11 5.66 -1.26 -4.63 114.28 121.18 3hbl n THR 826 Ca 0.18 -0.36 -0.33 0.00 -3.05 0.00 0.00 64.05 60.49 3hbl n THR 826 Cb 0.50 0.60 -0.12 0.00 -1.55 0.00 0.00 70.33 69.75 3hbl n THR 826 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3hbl s ASP 827 N -3.20 4.82 0.24 1.09 3.68 -1.25 -4.99 116.67 117.07 3hbl s ASP 827 Ca 0.22 -2.71 -0.04 0.00 2.13 0.00 0.00 52.55 52.14 3hbl s ASP 827 Cb -0.02 -1.74 0.38 0.00 -1.45 0.00 0.00 42.92 40.10 3hbl s ASP 827 CO 0.03 -0.34 1.82 0.16 0.13 0.00 0.00 175.17 176.97 3hbl h ILE 828 N 5.69 0.95 -0.81 4.11 -0.00 -1.97 0.12 117.51 125.60 3hbl h ILE 828 Ca -0.06 -0.29 0.05 0.00 -0.00 0.00 0.00 64.86 64.56 3hbl h ILE 828 Cb 0.95 0.03 -0.06 0.00 -0.00 0.00 0.00 36.82 37.74 3hbl h ILE 828 CO 0.67 0.15 0.51 -0.08 -0.00 0.00 0.00 178.15 179.41 3hbl h GLU 829 N 0.85 0.92 -0.65 0.16 4.81 -1.99 0.82 114.58 119.51 3hbl h GLU 829 Ca 0.39 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.52 3hbl h GLU 829 Cb 0.31 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3hbl h GLU 829 CO -0.23 0.61 0.22 0.78 -0.73 0.00 0.00 179.01 179.67 3hbl h GLY 830 N 0.95 1.04 1.40 1.92 0.00 -1.65 -2.15 103.07 104.58 3hbl h GLY 830 Ca 0.35 -0.57 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 3hbl h GLY 830 CO -0.15 0.54 -0.60 1.98 0.00 0.00 0.00 176.54 178.30 3hbl h MET 831 N 0.94 0.62 -0.51 4.80 1.85 0.20 0.02 114.93 122.86 3hbl h MET 831 Ca 0.22 -0.42 -0.02 0.00 -0.61 0.00 0.00 59.70 58.87 3hbl h MET 831 Cb 0.23 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 3hbl h MET 831 CO -0.01 1.04 0.25 0.93 -0.40 0.00 0.00 176.91 178.71 3hbl h GLU 832 N 0.47 0.73 -0.48 0.39 4.39 0.52 0.04 114.58 120.64 3hbl h GLU 832 Ca -0.00 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 3hbl h GLU 832 Cb 1.17 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 3hbl h GLU 832 CO 0.12 0.61 0.02 1.03 -1.16 0.00 0.00 179.01 179.62 3hbl h SER 833 N 0.68 0.81 -0.54 1.42 0.87 -1.12 -2.22 113.55 113.44 3hbl h SER 833 Ca 0.18 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 3hbl h SER 833 Cb 0.11 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3hbl h SER 833 CO -0.02 0.91 0.22 -0.07 -0.53 0.00 0.00 176.83 177.34 3hbl h LEU 834 N 0.69 0.74 -0.56 2.23 3.38 -0.86 -3.00 115.31 117.93 3hbl h LEU 834 Ca 0.14 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.05 3hbl h LEU 834 Cb 0.48 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 3hbl h LEU 834 CO 0.02 0.70 0.12 -1.28 0.09 0.00 0.00 178.44 178.09 3hbl h SER 835 N 0.74 0.00 -0.57 -0.43 0.87 -0.56 -0.40 113.55 113.19 3hbl h SER 835 Ca 0.18 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.87 3hbl h SER 835 Cb 0.19 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 3hbl h SER 835 CO -0.02 0.02 0.34 0.45 -0.53 0.00 0.00 176.83 177.09 3hbl h HIS 836 N 0.25 0.64 0.32 2.24 3.86 -1.35 -0.48 115.15 120.63 3hbl h HIS 836 Ca 0.29 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.51 3hbl h HIS 836 Cb 0.42 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 3hbl h HIS 836 CO -0.24 0.36 -0.21 -0.92 0.86 0.00 0.00 177.93 177.78 3hbl h TYR 837 N 0.67 -0.54 -0.36 2.45 3.20 -1.02 -2.62 116.97 118.75 3hbl h TYR 837 Ca 0.23 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3hbl h TYR 837 Cb 0.04 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3hbl h TYR 837 CO -0.06 -0.32 0.13 -1.49 -1.64 0.00 0.00 178.16 174.78 3hbl h TRP 838 N -0.51 0.50 -0.94 -3.82 4.06 -0.86 -1.26 115.95 113.12 3hbl h TRP 838 Ca -0.03 -0.02 0.12 0.00 2.06 0.00 0.00 58.89 61.03 3hbl h TRP 838 Cb 0.43 -0.16 -0.08 0.00 -1.00 0.00 0.00 29.16 28.36 3hbl h TRP 838 CO -0.10 0.40 0.60 1.03 -3.56 0.00 0.00 178.44 176.81 3hbl h SER 839 N 0.50 0.80 0.09 -3.49 0.87 -0.73 0.27 113.55 111.86 3hbl h SER 839 Ca 0.12 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.57 3hbl h SER 839 Cb 0.12 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3hbl h SER 839 CO -0.01 0.43 -0.64 0.74 -0.53 0.00 0.00 176.83 176.82 3hbl h THR 840 N 0.86 1.54 -0.85 2.23 2.02 -0.95 -3.32 112.91 114.44 3hbl h THR 840 Ca 0.46 -2.40 0.01 0.00 0.77 0.00 0.00 66.41 65.26 3hbl h THR 840 Cb 0.55 3.09 -0.04 0.00 -1.74 0.00 0.00 68.15 70.01 3hbl h THR 840 CO -0.22 0.67 0.57 0.58 0.37 0.00 0.00 175.52 177.48 3hbl h VAL 841 N -0.41 1.22 -0.90 3.16 2.07 -1.05 -1.79 116.25 118.55 3hbl h VAL 841 Ca -0.11 -0.40 0.20 0.00 0.82 0.00 0.00 66.70 67.22 3hbl h VAL 841 Cb 1.47 -0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 3hbl h VAL 841 CO 0.12 0.21 0.59 -0.09 0.02 0.00 0.00 177.57 178.43 3hbl h ARG 842 N 1.15 0.42 -0.00 1.57 2.43 -0.59 0.72 114.38 120.08 3hbl h ARG 842 Ca 0.31 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3hbl h ARG 842 Cb -0.13 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.33 3hbl h ARG 842 CO -0.07 0.28 0.00 1.15 -1.51 0.00 0.00 179.97 179.82 3hbl h THR 843 N 0.43 0.65 0.00 0.20 2.02 -1.41 0.45 112.91 115.24 3hbl h THR 843 Ca 0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.65 3hbl h THR 843 Cb 1.13 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3hbl h THR 843 CO -0.18 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.49 3hbl n TYR 844 N -4.02 0.00 -1.13 3.16 0.53 0.25 -3.39 117.16 112.55 3hbl n TYR 844 Ca -0.03 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 56.94 3hbl n TYR 844 Cb 0.09 -0.42 0.12 0.00 -1.03 0.00 0.00 39.34 38.10 3hbl n TYR 844 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 3hbl n TYR 845 N -1.42 0.00 0.27 -0.72 4.02 0.15 -4.78 117.16 114.67 3hbl n TYR 845 Ca 0.06 -0.90 0.14 0.00 -0.01 0.00 0.00 57.90 57.19 3hbl n TYR 845 Cb 0.18 -0.14 0.85 0.00 -0.02 0.00 0.00 39.34 40.21 3hbl n TYR 845 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3hbl h SER 846 N 0.00 0.00 0.31 7.72 4.64 -1.61 0.99 113.55 125.60 3hbl h SER 846 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hbl h SER 846 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3hbl h SER 846 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3hbl n ASP 847 N -3.97 0.00 -0.14 4.97 8.00 -1.26 -2.71 116.55 121.44 3hbl n ASP 847 Ca -0.02 0.07 0.02 0.00 0.71 0.00 0.00 54.79 55.57 3hbl n ASP 847 Cb 0.14 -0.29 0.02 0.00 -0.02 0.00 0.00 41.12 40.97 3hbl n ASP 847 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hbl n PHE 848 N -1.29 0.04 -1.72 1.24 3.01 0.34 -4.92 117.46 114.15 3hbl n PHE 848 Ca 0.07 -0.16 -0.40 0.00 1.01 0.00 0.00 57.45 57.96 3hbl n PHE 848 Cb 0.13 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.60 3hbl n PHE 848 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3hbl n GLU 849 N 0.05 1.99 -1.37 -1.08 -0.58 -1.10 -4.16 120.64 114.39 3hbl n GLU 849 Ca 0.02 0.71 -0.31 0.00 -0.42 0.00 0.00 57.16 57.16 3hbl n GLU 849 Cb 0.15 -2.46 0.08 0.00 -0.57 0.00 0.00 31.44 28.65 3hbl n GLU 849 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3hbl s SER 852 N -0.55 4.68 0.40 1.62 0.15 -1.15 -4.96 113.70 113.89 3hbl s SER 852 Ca 0.62 1.69 0.22 0.00 0.70 0.00 0.00 55.95 59.18 3hbl s SER 852 Cb -0.49 -2.45 0.41 0.00 -1.71 0.00 0.00 66.02 61.79 3hbl s SER 852 CO 0.57 -1.90 1.62 -2.24 1.20 0.00 0.00 173.24 172.49 3hbl h ASP 853 N -1.04 0.00 -2.25 5.45 2.03 -1.95 -3.45 116.42 115.21 3hbl h ASP 853 Ca -0.44 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.29 3hbl h ASP 853 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 3hbl h ASP 853 CO 0.54 0.18 1.35 -0.63 -1.03 0.00 0.00 179.24 179.65 3hbl s ILE 854 N -3.22 3.13 -0.27 4.15 1.01 -1.26 -4.86 121.20 119.88 3hbl s ILE 854 Ca 0.05 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.87 3hbl s ILE 854 Cb 0.07 -3.14 0.08 0.00 0.01 0.00 0.00 42.46 39.48 3hbl s ILE 854 CO 0.68 -0.06 1.03 2.29 0.00 0.00 0.00 174.94 178.87 3hbl n LYS 855 N 8.20 2.66 -3.73 2.79 2.85 -1.26 -5.03 118.16 124.64 3hbl n LYS 855 Ca 0.25 -1.57 -0.10 0.00 -1.05 0.00 0.00 58.31 55.84 3hbl n LYS 855 Cb 0.44 -1.07 -0.05 0.00 -0.65 0.00 0.00 35.03 33.69 3hbl n LYS 855 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3hbl s SER 856 N -0.94 -0.14 0.66 -5.58 1.04 -1.26 -5.13 113.70 102.36 3hbl s SER 856 Ca 0.06 -0.47 -0.15 0.00 0.48 0.00 0.00 55.95 55.87 3hbl s SER 856 Cb 0.03 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3hbl s SER 856 CO 0.04 -0.86 1.12 -2.84 0.98 0.00 0.00 173.24 171.68 3hbl s PRO 857 N -3.84 2.76 -0.20 4.02 0.02 -1.26 -5.01 135.00 131.48 3hbl s PRO 857 Ca 0.06 1.44 -0.03 0.00 0.02 0.00 0.00 61.00 62.49 3hbl s PRO 857 Cb 0.02 -1.94 0.06 0.00 0.02 0.00 0.00 34.50 32.66 3hbl s PRO 857 CO -0.09 -1.29 0.04 1.21 -0.33 0.00 0.00 177.00 176.53 3hbl s ASN 858 N -2.48 2.95 0.00 2.53 3.04 -0.45 -4.99 114.94 115.54 3hbl s ASN 858 Ca 0.68 -0.85 0.29 0.00 0.04 0.00 0.00 52.86 53.03 3hbl s ASN 858 Cb -0.22 -0.60 1.35 0.00 -1.54 0.00 0.00 41.25 40.24 3hbl s ASN 858 CO 0.41 -0.31 1.94 0.35 -3.04 0.00 0.00 177.10 176.45 3hbl n THR 859 N 5.04 0.00 0.31 -5.21 -2.24 -1.26 -3.59 114.28 107.34 3hbl n THR 859 Ca -0.09 -0.04 0.16 0.00 -2.27 0.00 0.00 64.05 61.81 3hbl n THR 859 Cb 0.47 -0.23 0.66 0.00 -2.10 0.00 0.00 70.33 69.13 3hbl n THR 859 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3hbl h GLU 860 N 0.38 0.00 -0.38 -0.78 5.08 -1.97 -2.81 114.58 114.10 3hbl h GLU 860 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 3hbl h GLU 860 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3hbl h GLU 860 CO 0.00 0.00 0.54 -0.84 -1.00 0.00 0.00 179.01 177.71 3hbl h ILE 861 N 0.00 0.23 0.00 3.13 3.07 -1.95 0.31 117.51 122.29 3hbl h ILE 861 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3hbl h ILE 861 Cb 0.45 0.54 0.00 0.00 -0.27 0.00 0.00 36.82 37.54 3hbl h ILE 861 CO 0.00 0.00 0.00 1.88 -1.05 0.00 0.00 178.15 178.98 3hbl h TYR 862 N 0.00 0.00 0.00 0.16 0.99 -1.80 0.25 116.97 116.58 3hbl h TYR 862 Ca 0.18 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.78 3hbl h TYR 862 Cb 1.26 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.97 3hbl h TYR 862 CO 0.00 0.00 -0.84 1.96 -0.00 0.00 0.00 178.16 179.28 3hbl h GLN 863 N 0.00 0.00 0.00 4.88 7.50 -0.62 -3.42 115.11 123.45 3hbl h GLN 863 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3hbl h GLN 863 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.25 3hbl h GLN 863 CO 0.00 0.63 -1.06 -2.39 -1.50 0.00 0.00 178.83 174.51 3hbl n HIS 864 N -4.53 0.81 -1.99 2.96 1.44 -0.93 -4.81 115.22 108.17 3hbl n HIS 864 Ca -0.21 0.23 -0.21 0.00 -2.01 0.00 0.00 57.72 55.53 3hbl n HIS 864 Cb 0.49 -0.86 -0.05 0.00 0.12 0.00 0.00 29.99 29.69 3hbl n HIS 864 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3hbl n GLU 865 N -2.55 -1.57 -2.14 -1.40 1.02 0.89 -4.60 120.64 110.30 3hbl n GLU 865 Ca 0.00 1.13 -0.42 0.00 -0.02 0.00 0.00 57.16 57.85 3hbl n GLU 865 Cb 0.54 -5.66 -0.03 0.00 -0.02 0.00 0.00 31.44 26.27 3hbl n GLU 865 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3hbl s MET 866 N -4.40 4.25 0.53 3.49 -1.94 -1.26 -4.86 119.30 115.11 3hbl s MET 866 Ca 0.00 2.06 -0.18 0.00 -1.71 0.00 0.00 55.69 55.86 3hbl s MET 866 Cb 0.00 -3.65 -0.06 0.00 2.01 0.00 0.00 34.83 33.13 3hbl s MET 866 CO 0.00 -0.66 1.05 -1.25 -0.01 0.00 0.00 175.02 174.15 3hbl s PRO 867 N 2.76 3.59 0.00 2.03 0.04 -1.26 -4.75 135.00 137.40 3hbl s PRO 867 Ca 0.67 1.31 0.00 0.00 0.04 0.00 0.00 61.00 63.02 3hbl s PRO 867 Cb -0.33 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3hbl s PRO 867 CO 0.28 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.12 3hbl n GLY 868 N -0.52 0.28 0.28 0.56 0.00 -0.40 -2.32 105.19 103.08 3hbl n GLY 868 Ca 0.09 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 3hbl n GLY 868 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hbl h GLY 869 N 0.00 -0.79 0.00 -0.02 0.00 -1.89 -3.39 103.07 96.98 3hbl h GLY 869 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3hbl h GLY 869 CO 0.00 -0.28 0.00 -1.06 0.00 0.00 0.00 176.54 175.20 3hbl n GLN 870 N -3.94 0.00 -0.35 4.80 6.02 -0.98 -2.36 117.38 120.57 3hbl n GLN 870 Ca -0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.89 3hbl n GLN 870 Cb 0.28 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.57 3hbl n GLN 870 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3hbl h TYR 871 N 0.00 -1.05 0.01 1.08 3.20 -1.77 0.78 116.97 119.23 3hbl h TYR 871 Ca 0.00 0.10 -0.15 0.00 3.14 0.00 0.00 58.73 61.82 3hbl h TYR 871 Cb 0.00 0.59 0.01 0.00 1.54 0.00 0.00 36.73 38.87 3hbl h TYR 871 CO 0.00 -0.40 -0.60 0.66 -1.64 0.00 0.00 178.16 176.18 3hbl h SER 872 N -0.03 0.51 -0.94 -2.11 4.64 -1.82 -2.75 113.55 111.05 3hbl h SER 872 Ca 0.33 -0.77 0.11 0.00 -0.47 0.00 0.00 61.79 60.98 3hbl h SER 872 Cb 0.59 -0.16 -0.13 0.00 -0.31 0.00 0.00 62.40 62.39 3hbl h SER 872 CO -0.93 1.22 -0.51 0.78 -0.87 0.00 0.00 176.83 176.52 3hbl h ASN 873 N -0.14 -1.88 0.69 4.97 2.35 -1.42 -1.64 115.58 118.52 3hbl h ASN 873 Ca -0.08 0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3hbl h ASN 873 Cb 1.32 0.87 -0.00 0.00 0.05 0.00 0.00 38.32 40.55 3hbl h ASN 873 CO 0.12 -0.26 -0.07 0.25 -1.65 0.00 0.00 177.43 175.81 3hbl h LEU 874 N -0.04 0.00 -0.18 1.61 5.85 0.54 -2.15 115.31 120.95 3hbl h LEU 874 Ca 0.22 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 3hbl h LEU 874 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3hbl h LEU 874 CO -0.92 0.07 -0.38 0.28 -0.34 0.00 0.00 178.44 177.15 3hbl h SER 875 N 0.00 0.64 0.11 1.25 0.02 -1.00 -2.71 113.55 111.86 3hbl h SER 875 Ca -0.00 -0.56 0.01 0.00 -0.84 0.00 0.00 61.79 60.40 3hbl h SER 875 Cb 0.43 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3hbl h SER 875 CO 0.01 1.08 -0.12 1.56 -1.14 0.00 0.00 176.83 178.22 3hbl h GLN 876 N 0.23 -0.26 -0.92 3.45 4.20 -0.96 0.28 115.11 121.14 3hbl h GLN 876 Ca 0.00 0.02 0.22 0.00 0.06 0.00 0.00 58.65 58.95 3hbl h GLN 876 Cb 0.98 0.06 -0.12 0.00 0.30 0.00 0.00 27.48 28.70 3hbl h GLN 876 CO 0.08 -0.17 0.45 1.96 -0.67 0.00 0.00 178.83 180.48 3hbl h GLN 877 N -0.27 0.45 -0.32 1.46 4.20 -1.56 0.96 115.11 120.04 3hbl h GLN 877 Ca 0.01 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 3hbl h GLN 877 Cb 0.26 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3hbl h GLN 877 CO -0.05 0.30 -0.19 0.00 -0.67 0.00 0.00 178.83 178.22 3hbl h ALA 878 N 1.70 0.45 -0.18 3.87 0.00 -1.01 -2.62 119.26 121.47 3hbl h ALA 878 Ca 0.58 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hbl h ALA 878 Cb 1.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3hbl h ALA 878 CO -0.50 0.39 0.06 0.87 0.00 0.00 0.00 179.25 180.07 3hbl h LYS 879 N 0.45 0.28 -0.55 0.00 1.57 -0.01 0.52 116.57 118.83 3hbl h LYS 879 Ca 0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hbl h LYS 879 Cb 0.74 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3hbl h LYS 879 CO 0.05 0.38 0.00 0.45 -0.57 0.00 0.00 179.45 179.76 3hbl n SER 880 N -4.82 0.55 -0.16 0.86 2.88 0.32 -1.19 113.62 112.07 3hbl n SER 880 Ca -0.04 -1.25 0.00 0.00 -1.33 0.00 0.00 58.87 56.25 3hbl n SER 880 Cb 0.14 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 3hbl n SER 880 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hbl n LEU 881 N 0.11 0.00 -3.52 2.46 4.77 -1.00 -4.96 117.00 114.86 3hbl n LEU 881 Ca 0.00 -0.42 -0.20 0.00 -0.03 0.00 0.00 56.01 55.36 3hbl n LEU 881 Cb 0.14 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3hbl n LEU 881 CO 0.00 0.24 0.13 0.61 -1.33 0.00 0.00 177.39 177.04 3hbl n GLY 882 N 0.00 -0.41 0.00 -0.72 0.00 -0.33 -4.86 105.19 98.87 3hbl n GLY 882 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3hbl n GLY 882 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbl n LEU 883 N -4.40 0.06 0.00 0.99 4.77 0.15 -4.86 117.00 113.71 3hbl n LEU 883 Ca -0.20 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3hbl n LEU 883 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3hbl n LEU 883 CO 0.63 0.01 0.20 0.61 -1.33 0.00 0.00 177.39 177.52 3hbl n GLY 884 N 0.09 -0.01 0.08 -0.72 0.00 0.56 -0.55 105.19 104.64 3hbl n GLY 884 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3hbl n GLY 884 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hbl h GLU 885 N 0.00 0.00 -1.67 1.61 4.39 -1.89 -3.41 114.58 113.61 3hbl h GLU 885 Ca 0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 3hbl h GLU 885 Cb 0.01 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.53 3hbl h GLU 885 CO 0.00 0.59 0.35 2.89 -1.16 0.00 0.00 179.01 181.67 3hbl n ARG 886 N -4.55 1.88 0.09 2.33 1.85 0.29 -4.42 116.66 114.13 3hbl n ARG 886 Ca -0.18 -1.59 0.07 0.00 -1.00 0.00 0.00 57.85 55.15 3hbl n ARG 886 Cb 0.45 -1.70 0.36 0.00 -1.05 0.00 0.00 32.46 30.52 3hbl n ARG 886 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3hbl n PHE 887 N 0.63 0.44 0.13 2.89 7.35 -1.15 -2.38 117.46 125.37 3hbl n PHE 887 Ca 0.32 0.21 -0.13 0.00 -0.76 0.00 0.00 57.45 57.09 3hbl n PHE 887 Cb 0.58 -0.84 -0.07 0.00 0.35 0.00 0.00 39.48 39.50 3hbl n PHE 887 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3hbl h ASP 888 N 0.00 -0.27 1.05 -2.13 5.19 -1.91 -1.60 116.42 116.75 3hbl h ASP 888 Ca 0.00 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 3hbl h ASP 888 Cb 0.07 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 3hbl h ASP 888 CO 0.00 -0.17 -0.16 -0.33 -3.12 0.00 0.00 179.24 175.46 3hbl h GLU 889 N -0.27 0.00 -0.08 3.56 5.08 -1.86 -2.30 114.58 118.71 3hbl h GLU 889 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3hbl h GLU 889 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hbl h GLU 889 CO 0.01 0.16 -0.01 0.28 -1.00 0.00 0.00 179.01 178.45 3hbl h VAL 890 N 0.00 1.28 -0.98 3.13 2.07 -1.53 0.15 116.25 120.37 3hbl h VAL 890 Ca -0.00 -0.87 0.07 0.00 0.82 0.00 0.00 66.70 66.72 3hbl h VAL 890 Cb 0.73 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 3hbl h VAL 890 CO 0.02 0.24 0.63 0.11 0.02 0.00 0.00 177.57 178.60 3hbl h LYS 891 N -0.17 1.08 0.02 1.57 1.57 -1.06 0.22 116.57 119.79 3hbl h LYS 891 Ca 0.02 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 3hbl h LYS 891 Cb 0.39 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3hbl h LYS 891 CO 0.01 0.71 -0.98 0.22 -0.57 0.00 0.00 179.45 178.84 3hbl h ASP 892 N 1.11 0.53 -0.53 0.86 3.58 -1.36 -3.01 116.42 117.60 3hbl h ASP 892 Ca 0.43 -0.44 -0.10 0.00 0.42 0.00 0.00 57.03 57.34 3hbl h ASP 892 Cb 0.23 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 3hbl h ASP 892 CO -0.18 1.25 -0.05 -0.03 -2.88 0.00 0.00 179.24 177.35 3hbl h MET 893 N 0.22 1.00 0.18 0.28 4.05 -0.01 -0.90 114.93 119.74 3hbl h MET 893 Ca -0.09 -0.33 0.01 0.00 -0.28 0.00 0.00 59.70 59.02 3hbl h MET 893 Cb 1.62 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 32.31 3hbl h MET 893 CO 0.17 1.01 -0.26 -0.92 0.23 0.00 0.00 176.91 177.14 3hbl h TYR 894 N 0.90 -0.69 -0.82 1.39 3.20 -0.60 0.60 116.97 120.95 3hbl h TYR 894 Ca 0.15 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.21 3hbl h TYR 894 Cb 0.59 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.08 3hbl h TYR 894 CO 0.04 -0.37 0.55 -0.09 -1.64 0.00 0.00 178.16 176.65 3hbl h ARG 895 N -0.50 0.41 0.15 1.82 1.12 -1.40 -2.26 114.38 113.71 3hbl h ARG 895 Ca 0.01 -0.02 -0.30 0.00 -1.11 0.00 0.00 59.98 58.56 3hbl h ARG 895 Cb 0.50 -0.09 0.01 0.00 -0.01 0.00 0.00 29.97 30.37 3hbl h ARG 895 CO -0.11 0.27 -1.38 0.00 -3.11 0.00 0.00 179.97 175.64 3hbl h ARG 896 N 0.42 0.32 -0.91 0.20 3.08 0.17 -3.30 114.38 114.36 3hbl h ARG 896 Ca 0.42 -0.55 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3hbl h ARG 896 Cb 0.99 0.20 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 3hbl h ARG 896 CO -0.14 1.23 0.53 0.28 -1.07 0.00 0.00 179.97 180.80 3hbl h VAL 897 N 0.09 1.26 -0.30 2.04 2.07 0.49 -1.10 116.25 120.78 3hbl h VAL 897 Ca -0.19 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 66.80 3hbl h VAL 897 Cb 2.03 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 3hbl h VAL 897 CO 0.20 0.28 -0.11 -1.13 0.02 0.00 0.00 177.57 176.83 3hbl h ASN 898 N 1.26 -0.39 1.33 0.57 -0.73 -1.49 0.46 115.58 116.59 3hbl h ASN 898 Ca 0.32 0.10 -0.06 0.00 1.87 0.00 0.00 56.30 58.54 3hbl h ASN 898 Cb -0.02 0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 3hbl h ASN 898 CO -0.06 -0.14 -0.31 -0.26 -0.37 0.00 0.00 177.43 176.29 3hbl h PHE 899 N -0.05 0.00 -0.06 0.67 -1.00 -1.60 0.23 116.94 115.13 3hbl h PHE 899 Ca 0.15 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.86 3hbl h PHE 899 Cb 0.28 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 3hbl h PHE 899 CO -0.32 0.31 -0.29 1.25 -1.61 0.00 0.00 178.31 177.65 3hbl h LEU 900 N 0.00 0.10 -2.78 1.54 5.85 -0.41 -2.88 115.31 116.73 3hbl h LEU 900 Ca -0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3hbl h LEU 900 Cb 1.05 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3hbl h LEU 900 CO 0.04 0.39 0.00 0.49 -0.34 0.00 0.00 178.44 179.02 3hbl n PHE 901 N -4.16 1.15 -0.63 1.25 3.01 0.08 -4.89 117.46 113.26 3hbl n PHE 901 Ca -0.02 -0.52 0.00 0.00 1.01 0.00 0.00 57.45 57.93 3hbl n PHE 901 Cb 0.36 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 3hbl n PHE 901 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hbl n GLY 902 N 1.45 0.63 1.90 1.37 0.00 -1.09 -4.57 105.19 104.88 3hbl n GLY 902 Ca 0.24 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 3hbl n GLY 902 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hbl n ASP 903 N 0.98 -3.73 -4.94 1.61 4.64 0.79 -4.54 116.55 111.36 3hbl n ASP 903 Ca 0.00 0.13 -0.20 0.00 -1.38 0.00 0.00 54.79 53.34 3hbl n ASP 903 Cb 0.00 -2.28 -0.02 0.00 -1.04 0.00 0.00 41.12 37.79 3hbl n ASP 903 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3hbl s ILE 904 N -1.69 4.14 0.19 5.18 -4.36 -1.25 -4.77 121.20 118.65 3hbl s ILE 904 Ca 0.06 -1.11 -0.30 0.00 -0.26 0.00 0.00 60.65 59.04 3hbl s ILE 904 Cb -0.02 -3.42 -0.08 0.00 1.25 0.00 0.00 42.46 40.19 3hbl s ILE 904 CO 0.22 -0.20 1.12 -0.69 0.24 0.00 0.00 174.94 175.64 3hbl s VAL 905 N -2.17 3.74 -0.34 8.37 1.01 -1.26 -5.02 120.40 124.72 3hbl s VAL 905 Ca 0.42 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.94 3hbl s VAL 905 Cb -0.08 -3.97 0.09 0.00 0.00 0.00 0.00 36.38 32.41 3hbl s VAL 905 CO 0.29 0.27 0.06 -0.54 0.00 0.00 0.00 175.10 175.18 3hbl s LYS 906 N -0.50 1.82 0.13 2.72 1.02 -1.26 -4.66 119.74 119.01 3hbl s LYS 906 Ca 0.49 -1.72 -0.17 0.00 0.02 0.00 0.00 55.97 54.59 3hbl s LYS 906 Cb -0.30 -3.25 0.04 0.00 -0.52 0.00 0.00 37.83 33.79 3hbl s LYS 906 CO 0.36 -0.88 0.42 0.14 -0.92 0.00 0.00 175.35 174.47 3hbl s VAL 907 N 1.02 0.06 0.12 3.17 -7.23 -1.26 -4.57 120.40 111.71 3hbl s VAL 907 Ca 0.06 -0.52 -0.33 0.00 -1.81 0.00 0.00 61.98 59.38 3hbl s VAL 907 Cb -0.20 -1.15 -0.13 0.00 0.56 0.00 0.00 36.38 35.46 3hbl s VAL 907 CO -0.06 -0.29 1.70 0.00 -0.31 0.00 0.00 175.10 176.14 3hbl n ALA 908 N -0.24 1.65 0.11 1.32 0.00 -1.26 0.11 120.51 122.21 3hbl n ALA 908 Ca -0.16 0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.79 3hbl n ALA 908 Cb 0.64 -2.44 0.26 0.00 0.00 0.00 0.00 19.45 17.90 3hbl n ALA 908 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hbl n PRO 909 N 4.42 2.55 0.02 0.00 -0.04 -1.26 -4.74 135.00 135.96 3hbl n PRO 909 Ca 0.18 -2.37 0.03 0.00 -0.04 0.00 0.00 63.50 61.30 3hbl n PRO 909 Cb 0.31 -1.53 0.39 0.00 -0.04 0.00 0.00 33.50 32.64 3hbl n PRO 909 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hbl h SER 910 N 4.32 0.44 0.98 3.54 4.64 0.50 -2.63 113.55 125.35 3hbl h SER 910 Ca 0.00 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 3hbl h SER 910 Cb 0.97 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 3hbl h SER 910 CO 0.00 0.39 -0.41 0.77 -0.87 0.00 0.00 176.83 176.71 3hbl h SER 911 N 0.49 0.00 -0.46 4.97 4.64 -1.69 -2.73 113.55 118.78 3hbl h SER 911 Ca 0.12 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 3hbl h SER 911 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3hbl h SER 911 CO -0.01 0.41 -0.01 0.50 -0.87 0.00 0.00 176.83 176.85 3hbl h LYS 912 N 0.00 0.88 0.16 4.77 3.64 -1.74 0.87 116.57 125.15 3hbl h LYS 912 Ca -0.00 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.13 3hbl h LYS 912 Cb 1.01 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 3hbl h LYS 912 CO 0.05 0.89 -0.25 0.28 -2.27 0.00 0.00 179.45 178.15 3hbl h VAL 913 N 0.81 0.46 -0.76 2.00 2.07 -1.40 0.35 116.25 119.78 3hbl h VAL 913 Ca 0.15 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3hbl h VAL 913 Cb 0.50 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3hbl h VAL 913 CO 0.02 0.00 0.29 0.58 0.02 0.00 0.00 177.57 178.49 3hbl h VAL 914 N -0.48 1.25 0.29 2.57 2.07 -1.25 -2.03 116.25 118.67 3hbl h VAL 914 Ca 0.02 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3hbl h VAL 914 Cb 0.48 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3hbl h VAL 914 CO -0.11 0.33 -0.14 1.23 0.02 0.00 0.00 177.57 178.90 3hbl h GLY 915 N 1.13 -0.41 0.20 2.17 0.00 -0.57 -1.86 103.07 103.74 3hbl h GLY 915 Ca 0.25 0.15 0.15 0.00 0.00 0.00 0.00 47.33 47.89 3hbl h GLY 915 CO -0.02 -0.15 0.46 -0.55 0.00 0.00 0.00 176.54 176.28 3hbl h ASP 916 N -0.62 0.56 -0.76 0.19 3.45 -0.21 -0.72 116.42 118.30 3hbl h ASP 916 Ca -0.04 0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 3hbl h ASP 916 Cb 0.44 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.18 3hbl h ASP 916 CO 0.07 0.22 0.37 0.24 -1.57 0.00 0.00 179.24 178.57 3hbl h MET 917 N 0.64 1.10 0.36 3.56 2.86 -1.26 -2.45 114.93 119.73 3hbl h MET 917 Ca 0.48 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 3hbl h MET 917 Cb 0.70 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3hbl h MET 917 CO -0.37 0.85 -0.23 0.00 1.06 0.00 0.00 176.91 178.22 3hbl h ALA 918 N 1.19 -0.57 0.02 6.32 0.00 -0.28 0.21 119.26 126.15 3hbl h ALA 918 Ca 0.26 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hbl h ALA 918 Cb 0.12 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3hbl h ALA 918 CO -0.03 -0.83 -0.49 -0.07 0.00 0.00 0.00 179.25 177.82 3hbl h LEU 919 N -0.58 -1.51 -0.79 0.00 -0.00 -1.48 -1.85 115.31 109.11 3hbl h LEU 919 Ca -0.04 0.17 0.10 0.00 -0.00 0.00 0.00 57.88 58.11 3hbl h LEU 919 Cb 0.48 0.57 -0.07 0.00 -0.00 0.00 0.00 40.66 41.64 3hbl h LEU 919 CO 0.03 -0.49 0.43 0.22 -0.00 0.00 0.00 178.44 178.63 3hbl h TYR 920 N -0.63 0.77 -0.06 1.13 3.20 -1.09 1.24 116.97 121.54 3hbl h TYR 920 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3hbl h TYR 920 Cb 0.67 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 3hbl h TYR 920 CO -0.49 0.30 0.01 0.52 -1.64 0.00 0.00 178.16 176.86 3hbl h MET 921 N 0.72 0.09 0.01 1.82 2.86 -0.50 0.90 114.93 120.83 3hbl h MET 921 Ca 0.38 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3hbl h MET 921 Cb 0.38 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3hbl h MET 921 CO -0.26 0.31 -0.01 0.28 1.06 0.00 0.00 176.91 178.29 3hbl h VAL 922 N -0.14 0.99 -0.13 -2.22 2.07 -0.41 0.65 116.25 117.06 3hbl h VAL 922 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3hbl h VAL 922 Cb 0.26 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3hbl h VAL 922 CO 0.00 0.00 -0.19 -0.61 0.02 0.00 0.00 177.57 176.79 3hbl h GLN 923 N -0.02 -0.23 -0.82 1.57 4.15 0.16 -2.05 115.11 117.87 3hbl h GLN 923 Ca -0.00 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 3hbl h GLN 923 Cb 0.01 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 3hbl h GLN 923 CO 0.00 -0.15 0.13 0.09 -1.93 0.00 0.00 178.83 176.97 3hbl n ASN 924 N -5.33 3.82 -4.01 -0.69 3.02 0.30 -4.94 115.26 107.44 3hbl n ASN 924 Ca -0.03 -2.72 -0.30 0.00 -0.03 0.00 0.00 54.58 51.50 3hbl n ASN 924 Cb 0.25 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 38.74 3hbl n ASN 924 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hbl n ASP 925 N 0.10 -1.30 -4.86 6.41 4.64 -0.29 -4.96 116.55 116.28 3hbl n ASP 925 Ca 0.24 -1.11 -0.32 0.00 -1.38 0.00 0.00 54.79 52.22 3hbl n ASP 925 Cb 0.97 -2.59 -0.05 0.00 -1.04 0.00 0.00 41.12 38.41 3hbl n ASP 925 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3hbl s LEU 926 N -7.05 4.16 0.57 -2.67 2.01 0.21 -5.01 118.68 110.91 3hbl s LEU 926 Ca 0.14 0.21 0.07 0.00 0.01 0.00 0.00 54.13 54.56 3hbl s LEU 926 Cb -0.06 -2.65 0.06 0.00 0.01 0.00 0.00 46.19 43.55 3hbl s LEU 926 CO 0.92 0.21 0.55 -0.62 1.01 0.00 0.00 176.35 178.42 3hbl s ASP 927 N -2.20 4.75 0.45 2.29 -1.08 -1.26 -4.69 116.67 114.93 3hbl s ASP 927 Ca 0.30 -1.16 0.18 0.00 -0.52 0.00 0.00 52.55 51.34 3hbl s ASP 927 Cb -0.13 0.50 1.04 0.00 -1.46 0.00 0.00 42.92 42.87 3hbl s ASP 927 CO 0.22 -1.25 1.96 -0.33 0.52 0.00 0.00 175.17 176.29 3hbl h GLU 928 N 0.51 0.00 0.01 4.34 3.07 -2.00 -2.87 114.58 117.64 3hbl h GLU 928 Ca -0.34 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.20 3hbl h GLU 928 Cb 1.30 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.16 3hbl h GLU 928 CO 0.51 0.22 -1.96 1.04 -1.40 0.00 0.00 179.01 177.42 3hbl n GLN 929 N -4.06 0.66 0.25 2.33 3.00 -1.26 -3.95 117.38 114.35 3hbl n GLN 929 Ca -0.02 0.20 0.15 0.00 -0.01 0.00 0.00 57.00 57.32 3hbl n GLN 929 Cb 0.29 -1.70 0.46 0.00 0.00 0.00 0.00 30.24 29.29 3hbl n GLN 929 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 3hbl h SER 930 N 0.01 0.00 1.06 1.08 0.02 -1.95 -1.75 113.55 112.02 3hbl h SER 930 Ca -0.38 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.49 3hbl h SER 930 Cb 2.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.61 3hbl h SER 930 CO 0.06 0.00 -0.37 1.62 -1.14 0.00 0.00 176.83 177.00 3hbl h VAL 931 N 0.00 0.78 0.00 2.27 3.04 -1.63 0.08 116.25 120.78 3hbl h VAL 931 Ca 0.00 -1.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.09 3hbl h VAL 931 Cb 0.73 2.02 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 3hbl h VAL 931 CO 0.00 0.36 -0.21 0.40 -1.01 0.00 0.00 177.57 177.11 3hbl h ILE 932 N 0.00 0.00 -0.55 3.17 2.04 -1.66 -3.12 117.51 117.39 3hbl h ILE 932 Ca -0.00 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 65.00 3hbl h ILE 932 Cb 0.99 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.98 3hbl h ILE 932 CO 0.05 0.00 -0.55 0.74 0.00 0.00 0.00 178.15 178.39 3hbl h THR 933 N -0.92 0.01 -0.00 -0.27 2.02 -1.40 -2.13 112.91 110.22 3hbl h THR 933 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hbl h THR 933 Cb 0.21 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3hbl h THR 933 CO 0.00 0.00 -0.16 0.47 0.37 0.00 0.00 175.52 176.20 3hbl n ASP 934 N -5.36 0.22 -0.31 4.18 10.43 0.01 -4.48 116.55 121.24 3hbl n ASP 934 Ca -0.02 0.06 0.23 0.00 2.57 0.00 0.00 54.79 57.64 3hbl n ASP 934 Cb 0.33 -0.20 0.52 0.00 1.84 0.00 0.00 41.12 43.61 3hbl n ASP 934 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3hbl h GLY 935 N 4.99 1.12 2.00 0.44 0.00 -1.31 -2.29 103.07 108.02 3hbl h GLY 935 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3hbl h GLY 935 CO 0.00 -0.11 0.00 0.10 0.00 0.00 0.00 176.54 176.53 3hbl h TYR 936 N 0.38 0.00 -0.01 5.60 -0.00 -1.78 -2.50 116.97 118.65 3hbl h TYR 936 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.31 3hbl h TYR 936 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.23 3hbl h TYR 936 CO -0.00 0.00 -0.00 0.36 -0.00 0.00 0.00 178.16 178.52 3hbl n LYS 937 N -2.75 0.20 -0.03 0.10 2.85 -0.86 -4.88 118.16 112.79 3hbl n LYS 937 Ca -0.00 -1.01 -0.14 0.00 -1.05 0.00 0.00 58.31 56.11 3hbl n LYS 937 Cb 0.17 -1.16 -0.11 0.00 -0.65 0.00 0.00 35.03 33.28 3hbl n LYS 937 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3hbl h LEU 938 N 1.68 0.09 -2.87 -5.58 3.38 -1.45 -3.49 115.31 107.06 3hbl h LEU 938 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3hbl h LEU 938 Cb 0.36 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3hbl h LEU 938 CO 0.00 0.72 -0.05 -0.67 0.09 0.00 0.00 178.44 178.53 3hbl n ASP 939 N -4.70 -3.12 -4.80 -0.43 -0.08 -1.26 -5.04 116.55 97.13 3hbl n ASP 939 Ca -0.09 0.05 -0.32 0.00 -1.51 0.00 0.00 54.79 52.91 3hbl n ASP 939 Cb 0.36 -1.83 0.03 0.00 2.34 0.00 0.00 41.12 42.02 3hbl n ASP 939 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3hbl s PHE 940 N -2.12 2.91 0.43 -0.67 0.40 -1.26 -4.96 117.98 112.70 3hbl s PHE 940 Ca 0.02 1.51 -0.26 0.00 -0.60 0.00 0.00 56.93 57.61 3hbl s PHE 940 Cb -0.01 -3.02 -0.09 0.00 0.51 0.00 0.00 43.02 40.41 3hbl s PHE 940 CO 0.14 -1.29 1.37 -2.30 0.70 0.00 0.00 175.22 173.84 3hbl n PRO 941 N -2.36 2.15 -0.34 0.24 -0.02 -1.26 -4.79 135.00 128.62 3hbl n PRO 941 Ca 0.09 0.77 0.29 0.00 -2.02 0.00 0.00 63.50 62.62 3hbl n PRO 941 Cb 0.53 -2.53 0.60 0.00 -0.02 0.00 0.00 33.50 32.09 3hbl n PRO 941 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hbl h GLU 942 N 2.27 0.22 -0.29 -0.52 4.57 -2.00 -0.44 114.58 118.40 3hbl h GLU 942 Ca -0.49 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 57.57 3hbl h GLU 942 Cb 1.28 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 3hbl h GLU 942 CO 0.61 0.15 -0.24 0.66 -1.18 0.00 0.00 179.01 179.01 3hbl h SER 943 N 0.23 0.55 0.65 1.04 4.64 -1.97 -0.27 113.55 118.43 3hbl h SER 943 Ca 0.62 -0.19 -0.23 0.00 -0.47 0.00 0.00 61.79 61.52 3hbl h SER 943 Cb 1.90 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.83 3hbl h SER 943 CO -0.22 0.78 -1.06 -0.37 -0.87 0.00 0.00 176.83 175.09 3hbl h VAL 944 N 0.48 1.53 -0.42 0.95 -1.51 -1.38 -2.13 116.25 113.77 3hbl h VAL 944 Ca 0.07 -2.94 -0.10 0.00 -1.23 0.00 0.00 66.70 62.51 3hbl h VAL 944 Cb 0.67 2.73 -0.01 0.00 -2.13 0.00 0.00 31.29 32.55 3hbl h VAL 944 CO 0.05 0.85 -0.12 -0.37 -1.23 0.00 0.00 177.57 176.75 3hbl h VAL 945 N 0.09 1.28 -0.98 7.19 -1.51 -1.38 -0.80 116.25 120.14 3hbl h VAL 945 Ca -0.08 -1.23 0.12 0.00 -1.23 0.00 0.00 66.70 64.28 3hbl h VAL 945 Cb 1.76 1.20 -0.08 0.00 -2.13 0.00 0.00 31.29 32.03 3hbl h VAL 945 CO 0.17 0.42 0.61 -1.28 -1.23 0.00 0.00 177.57 176.25 3hbl h SER 946 N 0.64 0.88 0.33 4.19 0.87 -1.06 0.13 113.55 119.53 3hbl h SER 946 Ca 0.10 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3hbl h SER 946 Cb 0.66 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3hbl h SER 946 CO 0.05 0.46 -0.16 0.15 -0.53 0.00 0.00 176.83 176.80 3hbl h PHE 947 N 0.95 -0.41 0.00 2.24 3.04 -1.12 -1.53 116.94 120.11 3hbl h PHE 947 Ca 0.49 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.43 3hbl h PHE 947 Cb 0.50 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.14 3hbl h PHE 947 CO -0.01 -0.08 0.00 1.19 -2.02 0.00 0.00 178.31 177.39 3hbl n PHE 948 N -5.14 0.06 0.54 0.41 3.01 -0.33 -0.45 117.46 115.56 3hbl n PHE 948 Ca -0.09 0.02 0.12 0.00 1.01 0.00 0.00 57.45 58.51 3hbl n PHE 948 Cb 0.27 -0.54 0.26 0.00 -0.01 0.00 0.00 39.48 39.47 3hbl n PHE 948 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3hbl h LYS 949 N 0.00 0.00 0.00 -1.08 3.64 -0.65 -3.45 116.57 115.02 3hbl h LYS 949 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hbl h LYS 949 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3hbl h LYS 949 CO 0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 3hbl n GLY 950 N 1.30 0.80 0.00 5.01 0.00 0.40 -0.34 105.19 112.36 3hbl n GLY 950 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3hbl n GLY 950 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hbl n GLU 951 N -2.36 0.25 -0.06 1.61 1.02 -0.58 -1.63 120.64 118.88 3hbl n GLU 951 Ca 0.00 0.12 0.05 0.00 -0.02 0.00 0.00 57.16 57.31 3hbl n GLU 951 Cb 0.00 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.01 3hbl n GLU 951 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3hbl n ILE 952 N -1.29 1.49 0.00 -3.67 2.08 -1.26 -4.88 119.36 111.83 3hbl n ILE 952 Ca 0.09 -1.66 0.00 0.00 0.56 0.00 0.00 62.75 61.74 3hbl n ILE 952 Cb 0.15 0.11 0.00 0.00 -0.75 0.00 0.00 39.64 39.14 3hbl n ILE 952 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hbl n GLY 953 N -0.92 -0.08 3.73 7.39 0.00 -0.65 -4.81 105.19 109.84 3hbl n GLY 953 Ca 0.09 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 3hbl n GLY 953 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbl s GLN 954 N -1.43 4.41 0.74 1.61 -1.52 -1.26 -4.68 119.66 117.53 3hbl s GLN 954 Ca 0.00 0.80 -0.12 0.00 -1.95 0.00 0.00 55.36 54.09 3hbl s GLN 954 Cb 0.00 -3.42 0.04 0.00 -0.22 0.00 0.00 33.01 29.40 3hbl s GLN 954 CO 0.00 0.14 1.11 -1.25 -0.25 0.00 0.00 175.29 175.04 3hbl s PRO 955 N 0.57 2.56 0.10 2.91 0.04 -1.26 -4.72 135.00 135.21 3hbl s PRO 955 Ca 0.35 0.44 -0.27 0.00 0.04 0.00 0.00 61.00 61.56 3hbl s PRO 955 Cb -0.17 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 3hbl s PRO 955 CO 0.17 -1.24 1.66 0.28 0.04 0.00 0.00 177.00 177.91 3hbl h VAL 956 N -0.80 0.54 -0.00 -0.36 2.07 -1.91 -3.00 116.25 112.78 3hbl h VAL 956 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3hbl h VAL 956 Cb 1.27 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3hbl h VAL 956 CO 0.63 0.00 -0.03 0.59 0.02 0.00 0.00 177.57 178.78 3hbl n ASN 957 N -5.34 0.35 -0.03 0.57 4.13 -1.26 -5.04 115.26 108.64 3hbl n ASN 957 Ca -0.08 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.35 3hbl n ASN 957 Cb 0.25 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 3hbl n ASN 957 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hbl n GLY 958 N 1.14 -1.82 3.56 7.41 0.00 -1.14 -4.89 105.19 109.45 3hbl n GLY 958 Ca 0.19 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 3hbl n GLY 958 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbl s PHE 959 N 0.00 2.86 0.15 1.61 0.40 -1.26 -4.80 117.98 116.94 3hbl s PHE 959 Ca 0.00 -0.04 -0.31 0.00 -0.60 0.00 0.00 56.93 55.98 3hbl s PHE 959 Cb 0.00 -1.66 -0.09 0.00 0.51 0.00 0.00 43.02 41.78 3hbl s PHE 959 CO 0.00 0.31 1.47 1.21 0.70 0.00 0.00 175.22 178.91 3hbl s ASN 960 N -0.97 6.71 0.14 1.36 2.47 -1.26 -4.93 114.94 118.46 3hbl s ASN 960 Ca 0.13 2.48 -0.13 0.00 0.42 0.00 0.00 52.86 55.77 3hbl s ASN 960 Cb -0.11 -2.59 -0.00 0.00 -1.45 0.00 0.00 41.25 37.10 3hbl s ASN 960 CO 0.03 -0.73 1.57 0.11 -3.72 0.00 0.00 177.10 174.35 3hbl h LYS 961 N 6.69 0.85 -0.44 0.43 1.57 -1.99 -1.06 116.57 122.62 3hbl h LYS 961 Ca -0.43 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.00 3hbl h LYS 961 Cb 1.21 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3hbl h LYS 961 CO 0.88 0.93 0.07 -0.44 -0.57 0.00 0.00 179.45 180.32 3hbl h ASP 962 N 0.69 0.70 0.53 0.86 3.32 -1.98 0.82 116.42 121.36 3hbl h ASP 962 Ca 0.12 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 56.78 3hbl h ASP 962 Cb 0.59 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3hbl h ASP 962 CO 0.04 0.78 -0.60 0.25 -1.72 0.00 0.00 179.24 177.98 3hbl h LEU 963 N 0.59 0.07 -0.15 1.55 5.85 -1.95 -0.65 115.31 120.62 3hbl h LEU 963 Ca 0.13 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hbl h LEU 963 Cb 0.38 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3hbl h LEU 963 CO 0.01 0.66 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.14 3hbl h GLN 964 N 0.05 0.28 -0.55 1.25 4.15 -1.09 -2.58 115.11 116.62 3hbl h GLN 964 Ca -0.01 -0.10 0.07 0.00 0.77 0.00 0.00 58.65 59.39 3hbl h GLN 964 Cb 1.07 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.68 3hbl h GLN 964 CO 0.08 0.53 0.22 0.00 -1.93 0.00 0.00 178.83 177.74 3hbl h ALA 965 N 0.74 0.70 0.00 3.38 0.00 -0.28 0.58 119.26 124.37 3hbl h ALA 965 Ca 0.04 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3hbl h ALA 965 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3hbl h ALA 965 CO 0.01 -0.16 -0.77 0.28 0.00 0.00 0.00 179.25 178.61 3hbl h VAL 966 N 0.42 1.50 0.10 0.00 2.07 -1.19 -2.37 116.25 116.78 3hbl h VAL 966 Ca 0.26 -2.67 -0.28 0.00 0.82 0.00 0.00 66.70 64.83 3hbl h VAL 966 Cb 0.27 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3hbl h VAL 966 CO -0.24 0.75 -1.34 0.40 0.02 0.00 0.00 177.57 177.16 3hbl h ILE 967 N 0.00 1.37 0.00 4.57 2.04 -1.03 -3.35 117.51 121.12 3hbl h ILE 967 Ca -0.01 -3.00 -0.10 0.00 1.00 0.00 0.00 64.86 62.75 3hbl h ILE 967 Cb 1.40 2.84 -0.02 0.00 -0.74 0.00 0.00 36.82 40.31 3hbl h ILE 967 CO 0.10 0.86 -0.58 -0.07 0.00 0.00 0.00 178.15 178.46 3hbl h LEU 968 N 0.06 0.00 -0.97 1.44 3.38 -0.91 -3.46 115.31 114.85 3hbl h LEU 968 Ca -0.16 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.28 3hbl h LEU 968 Cb 1.96 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.53 3hbl h LEU 968 CO 0.17 0.46 -0.80 0.29 0.09 0.00 0.00 178.44 178.65 3hbl n LYS 969 N -3.17 -3.50 0.00 1.13 5.02 -0.89 -1.93 118.16 114.81 3hbl n LYS 969 Ca 0.01 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3hbl n LYS 969 Cb 0.73 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.57 3hbl n LYS 969 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hbl n GLY 970 N -1.41 1.90 3.76 0.72 0.00 -1.26 -5.08 105.19 103.82 3hbl n GLY 970 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3hbl n GLY 970 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbl s GLN 971 N -0.70 3.54 0.17 1.61 -0.21 -0.82 -4.99 119.66 118.27 3hbl s GLN 971 Ca 0.00 1.88 -0.28 0.00 0.02 0.00 0.00 55.36 56.98 3hbl s GLN 971 Cb 0.00 -2.32 -0.08 0.00 1.00 0.00 0.00 33.01 31.61 3hbl s GLN 971 CO 0.00 -0.76 0.88 -1.21 -2.12 0.00 0.00 175.29 172.07 3hbl s GLU 972 N -2.82 4.71 0.11 2.91 2.02 -1.26 -4.91 118.70 119.46 3hbl s GLU 972 Ca 0.67 1.34 -0.17 0.00 0.02 0.00 0.00 54.97 56.83 3hbl s GLU 972 Cb -0.31 -3.30 -0.07 0.00 0.10 0.00 0.00 34.13 30.55 3hbl s GLU 972 CO 0.37 0.45 0.56 0.00 0.02 0.00 0.00 175.26 176.66 3hbl s ALA 973 N -0.83 3.58 1.08 5.21 0.00 -1.26 -4.91 121.76 124.63 3hbl s ALA 973 Ca 0.40 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 3hbl s ALA 973 Cb -0.24 -2.58 0.24 0.00 0.00 0.00 0.00 23.12 20.54 3hbl s ALA 973 CO 0.29 0.43 1.07 -0.51 0.00 0.00 0.00 175.76 177.04 3hbl s LEU 974 N -1.53 1.56 0.07 0.00 1.43 0.54 -5.01 118.68 115.74 3hbl s LEU 974 Ca 0.33 1.80 -0.02 0.00 -1.03 0.00 0.00 54.13 55.21 3hbl s LEU 974 Cb -0.17 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.17 3hbl s LEU 974 CO 0.19 -3.86 -0.04 0.41 0.23 0.00 0.00 176.35 173.27 3hbl n THR 975 N -4.71 1.25 -0.58 5.49 -1.04 -1.26 -4.88 114.28 108.55 3hbl n THR 975 Ca 0.06 0.37 -0.29 0.00 -2.04 0.00 0.00 64.05 62.16 3hbl n THR 975 Cb 0.53 -1.67 0.24 0.00 -1.82 0.00 0.00 70.33 67.61 3hbl n THR 975 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hbl s ALA 976 N -2.11 -0.28 0.60 2.41 0.00 -1.26 -5.01 121.76 116.11 3hbl s ALA 976 Ca -0.03 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 3hbl s ALA 976 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 3hbl s ALA 976 CO 0.05 -3.74 1.28 -0.98 0.00 0.00 0.00 175.76 172.38 3hbl s ARG 977 N -4.49 2.87 0.35 0.00 1.70 -1.26 -4.93 118.95 113.19 3hbl s ARG 977 Ca 0.68 2.03 0.09 0.00 -0.47 0.00 0.00 55.73 58.06 3hbl s ARG 977 Cb -0.25 -2.00 0.82 0.00 -0.57 0.00 0.00 34.95 32.95 3hbl s ARG 977 CO 0.64 -1.35 1.85 -1.35 -1.08 0.00 0.00 175.30 174.02 3hbl h PRO 978 N 0.93 0.67 -0.99 3.89 0.11 -1.90 -2.41 132.00 132.31 3hbl h PRO 978 Ca -0.51 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.62 3hbl h PRO 978 Cb 1.31 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 3hbl h PRO 978 CO 0.55 0.45 0.64 0.78 -0.21 0.00 0.00 178.00 180.21 3hbl h GLY 979 N 0.69 1.49 1.93 -0.55 0.00 -1.92 -1.72 103.07 102.99 3hbl h GLY 979 Ca 0.47 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hbl h GLY 979 CO -0.23 0.34 0.03 0.83 0.00 0.00 0.00 176.54 177.52 3hbl h GLU 980 N 1.17 0.00 0.00 4.80 5.08 -1.80 -0.44 114.58 123.39 3hbl h GLU 980 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3hbl h GLU 980 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3hbl h GLU 980 CO -0.16 0.00 -0.75 1.88 -1.00 0.00 0.00 179.01 178.97 3hbl h TYR 981 N 0.00 0.00 -3.32 4.33 -1.99 -1.45 -3.47 116.97 111.07 3hbl h TYR 981 Ca 0.00 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.16 3hbl h TYR 981 Cb 0.07 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.73 3hbl h TYR 981 CO 0.00 0.00 -0.06 -0.51 -0.00 0.00 0.00 178.16 177.59 3hbl s LEU 982 N -4.27 4.32 0.31 3.88 1.43 -0.17 -5.05 118.68 119.14 3hbl s LEU 982 Ca 0.05 0.99 -0.29 0.00 -1.03 0.00 0.00 54.13 53.85 3hbl s LEU 982 Cb 0.13 -2.84 -0.10 0.00 0.03 0.00 0.00 46.19 43.41 3hbl s LEU 982 CO 0.75 0.01 1.39 -0.70 0.23 0.00 0.00 176.35 178.03 3hbl s GLU 983 N 0.43 4.27 0.43 1.70 2.56 -1.26 -4.79 118.70 122.03 3hbl s GLU 983 Ca 0.30 2.33 -0.25 0.00 0.00 0.00 0.00 54.97 57.34 3hbl s GLU 983 Cb -0.16 -3.06 -0.08 0.00 2.00 0.00 0.00 34.13 32.82 3hbl s GLU 983 CO 0.14 -0.34 1.29 -1.25 -0.56 0.00 0.00 175.26 174.53 3hbl s PRO 984 N -1.36 3.84 0.12 4.30 0.04 -1.26 -4.63 135.00 136.05 3hbl s PRO 984 Ca 0.53 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 3hbl s PRO 984 Cb -0.42 -2.65 -0.07 0.00 0.04 0.00 0.00 34.50 31.41 3hbl s PRO 984 CO 0.52 -0.58 1.17 0.08 0.04 0.00 0.00 177.00 178.22 3hbl s VAL 985 N -1.31 3.89 -0.77 -0.36 1.01 -1.26 -4.98 120.40 116.62 3hbl s VAL 985 Ca 0.60 1.48 -0.23 0.00 0.00 0.00 0.00 61.98 63.82 3hbl s VAL 985 Cb -0.37 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.13 3hbl s VAL 985 CO 0.47 0.18 1.13 -0.62 0.00 0.00 0.00 175.10 176.26 3hbl s ASP 986 N 0.51 6.28 0.55 3.32 3.68 -1.26 -4.88 116.67 124.87 3hbl s ASP 986 Ca 0.55 -1.07 0.35 0.00 2.13 0.00 0.00 52.55 54.50 3hbl s ASP 986 Cb -0.30 -2.47 1.50 0.00 -1.45 0.00 0.00 42.92 40.19 3hbl s ASP 986 CO 0.33 -1.50 2.02 -0.26 0.13 0.00 0.00 175.17 175.89 3hbl h PHE 987 N 9.61 0.00 0.10 -5.34 0.05 -2.00 -2.99 116.94 116.37 3hbl h PHE 987 Ca -0.15 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.63 3hbl h PHE 987 Cb 1.05 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.00 3hbl h PHE 987 CO 1.08 0.00 -0.05 0.93 -0.18 0.00 0.00 178.31 180.09 3hbl h GLU 988 N 0.00 -0.13 -1.00 1.51 5.08 -1.99 -1.75 114.58 116.30 3hbl h GLU 988 Ca 0.00 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.57 3hbl h GLU 988 Cb 0.43 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.61 3hbl h GLU 988 CO 0.00 0.33 0.61 0.87 -1.00 0.00 0.00 179.01 179.82 3hbl h LYS 989 N -0.68 0.67 -0.28 2.33 1.79 -1.96 0.21 116.57 118.66 3hbl h LYS 989 Ca -0.01 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 3hbl h LYS 989 Cb 0.53 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3hbl h LYS 989 CO 0.02 0.44 0.07 0.28 -1.08 0.00 0.00 179.45 179.19 3hbl h VAL 990 N 0.69 1.21 -0.52 0.50 2.07 -1.43 0.18 116.25 118.94 3hbl h VAL 990 Ca 0.57 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 67.48 3hbl h VAL 990 Cb 1.00 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 3hbl h VAL 990 CO -0.36 0.22 0.20 -0.09 0.02 0.00 0.00 177.57 177.56 3hbl h ARG 991 N 0.28 0.37 0.00 1.57 2.43 -0.18 0.00 114.38 118.86 3hbl h ARG 991 Ca 0.09 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3hbl h ARG 991 Cb 0.27 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3hbl h ARG 991 CO -0.00 0.25 -0.31 0.93 -1.51 0.00 0.00 179.97 179.32 3hbl h GLU 992 N 0.38 0.00 -0.01 0.20 5.08 -0.25 0.04 114.58 120.03 3hbl h GLU 992 Ca 0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3hbl h GLU 992 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3hbl h GLU 992 CO -0.25 0.31 -0.07 1.25 -1.00 0.00 0.00 179.01 179.25 3hbl h LEU 993 N 0.00 0.07 -0.43 1.33 5.85 -0.03 -2.93 115.31 119.17 3hbl h LEU 993 Ca -0.00 -0.73 -0.08 0.00 0.84 0.00 0.00 57.88 57.91 3hbl h LEU 993 Cb 0.56 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3hbl h LEU 993 CO 0.04 0.79 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.82 3hbl h LEU 994 N -0.64 0.79 -1.14 2.25 3.38 -0.90 -1.94 115.31 117.11 3hbl h LEU 994 Ca -0.01 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3hbl h LEU 994 Cb 0.80 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3hbl h LEU 994 CO 0.01 0.94 0.34 -0.33 0.09 0.00 0.00 178.44 179.49 3hbl h GLU 995 N 0.63 0.94 -0.44 1.13 5.08 -1.13 0.15 114.58 120.95 3hbl h GLU 995 Ca 0.12 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3hbl h GLU 995 Cb 0.56 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3hbl h GLU 995 CO 0.03 0.72 0.20 1.49 -1.00 0.00 0.00 179.01 180.45 3hbl h GLU 996 N 0.94 0.64 0.51 2.33 4.22 -1.40 -3.33 114.58 118.50 3hbl h GLU 996 Ca 0.24 -0.10 -0.03 0.00 0.08 0.00 0.00 59.36 59.55 3hbl h GLU 996 Cb 0.07 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hbl h GLU 996 CO -0.03 0.56 -0.25 0.93 -2.18 0.00 0.00 179.01 178.04 3hbl h GLU 997 N 0.56 -0.66 -7.60 1.92 5.08 -0.63 -3.46 114.58 109.79 3hbl h GLU 997 Ca 0.15 0.05 -0.42 0.00 -1.00 0.00 0.00 59.36 58.13 3hbl h GLU 997 Cb 0.14 0.15 0.18 0.00 0.50 0.00 0.00 28.75 29.73 3hbl h GLU 997 CO -0.02 -0.40 0.26 -0.65 -1.00 0.00 0.00 179.01 177.20 3hbl s GLN 998 N -4.03 -0.57 0.24 2.33 -0.21 0.47 -4.94 119.66 112.96 3hbl s GLN 998 Ca -0.11 -0.29 -0.05 0.00 0.02 0.00 0.00 55.36 54.93 3hbl s GLN 998 Cb 0.01 -1.69 0.39 0.00 1.00 0.00 0.00 33.01 32.72 3hbl s GLN 998 CO 0.36 -3.24 1.81 -0.56 -2.12 0.00 0.00 175.29 171.54 3hbl h GLN 999 N -2.24 0.75 0.00 2.91 -0.00 -1.87 -3.45 115.11 111.21 3hbl h GLN 999 Ca -0.44 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 3hbl h GLN 999 Cb 1.26 -0.17 0.00 0.00 -0.00 0.00 0.00 27.48 28.57 3hbl h GLN 999 CO 0.33 0.50 0.00 0.41 -0.00 0.00 0.00 178.83 180.06 3hbl n GLY 1000N -1.32 -0.36 3.72 0.06 0.00 -1.25 -4.98 105.19 101.07 3hbl n GLY 1000Ca 0.13 0.60 -0.62 0.00 0.00 0.00 0.00 46.02 46.14 3hbl n GLY 1000CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hbl n PRO 1001N 0.00 0.62 -4.24 1.61 -0.02 -1.26 -4.40 135.00 127.32 3hbl n PRO 1001Ca 0.00 0.23 -0.30 0.00 -2.02 0.00 0.00 63.50 61.40 3hbl n PRO 1001Cb 0.00 -1.83 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 3hbl n PRO 1001CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hbl s VAL 1002N 3.22 3.69 0.53 -1.45 1.01 -1.26 -5.04 120.40 121.09 3hbl s VAL 1002Ca 1.01 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3hbl s VAL 1002Cb -1.26 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 32.43 3hbl s VAL 1002CO 0.73 0.18 0.76 0.42 0.00 0.00 0.00 175.10 177.18 3hbl s THR 1003N -1.21 2.96 0.38 3.92 -4.23 -1.26 -4.98 115.64 111.21 3hbl s THR 1003Ca 0.22 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 60.16 3hbl s THR 1003Cb -0.11 -3.11 0.25 0.00 1.34 0.00 0.00 72.50 70.87 3hbl s THR 1003CO 0.14 -0.08 2.02 -0.33 -0.54 0.00 0.00 174.62 175.84 3hbl h GLU 1004N 0.13 0.65 0.00 3.99 4.39 -2.00 -2.22 114.58 119.52 3hbl h GLU 1004Ca -0.43 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.17 3hbl h GLU 1004Cb 1.29 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 3hbl h GLU 1004CO 0.53 0.45 -0.25 1.96 -1.16 0.00 0.00 179.01 180.55 3hbl h GLN 1005N 0.66 0.00 -0.06 2.33 4.20 -1.99 -2.82 115.11 117.44 3hbl h GLN 1005Ca 0.17 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 3hbl h GLN 1005Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3hbl h GLN 1005CO -0.03 0.25 -0.30 -0.44 -0.67 0.00 0.00 178.83 177.63 3hbl h ASP 1006N 0.00 0.37 -0.37 1.46 3.32 -1.79 -2.76 116.42 116.65 3hbl h ASP 1006Ca -0.00 -0.65 0.07 0.00 0.02 0.00 0.00 57.03 56.46 3hbl h ASP 1006Cb 0.53 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.91 3hbl h ASP 1006CO 0.03 0.97 -0.05 0.40 -1.72 0.00 0.00 179.24 178.86 3hbl h ILE 1007N -0.20 0.67 -0.05 0.35 2.04 -1.29 -0.35 117.51 118.68 3hbl h ILE 1007Ca -0.02 -0.01 -0.17 0.00 1.00 0.00 0.00 64.86 65.66 3hbl h ILE 1007Cb 0.96 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3hbl h ILE 1007CO 0.06 0.01 -0.72 -0.29 0.00 0.00 0.00 178.15 177.21 3hbl h ILE 1008N 0.04 1.42 -0.50 -0.67 6.09 -1.60 -2.39 117.51 119.90 3hbl h ILE 1008Ca 0.18 -2.22 -0.04 0.00 -1.37 0.00 0.00 64.86 61.41 3hbl h ILE 1008Cb 0.27 2.17 -0.02 0.00 0.47 0.00 0.00 36.82 39.71 3hbl h ILE 1008CO -0.35 0.65 0.15 0.28 -3.07 0.00 0.00 178.15 175.81 3hbl h SER 1009N 0.17 0.73 -0.18 2.19 0.02 -1.16 -1.32 113.55 114.00 3hbl h SER 1009Ca -0.02 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3hbl h SER 1009Cb 1.27 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 3hbl h SER 1009CO 0.11 0.75 0.11 0.22 -1.14 0.00 0.00 176.83 176.88 3hbl h TYR 1010N 0.68 0.25 -0.73 3.45 3.20 -1.01 0.39 116.97 123.20 3hbl h TYR 1010Ca 0.16 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.08 3hbl h TYR 1010Cb 0.29 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.42 3hbl h TYR 1010CO 0.02 0.22 0.43 0.28 -1.64 0.00 0.00 178.16 177.46 3hbl h VAL 1011N 0.20 1.00 -0.02 1.81 2.07 -1.30 0.89 116.25 120.90 3hbl h VAL 1011Ca 0.07 -0.27 -0.21 0.00 0.82 0.00 0.00 66.70 67.10 3hbl h VAL 1011Cb 0.05 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3hbl h VAL 1011CO -0.01 0.14 -0.88 -0.07 0.02 0.00 0.00 177.57 176.77 3hbl h LEU 1012N 0.79 0.49 -5.94 2.57 3.38 -1.08 -3.39 115.31 112.13 3hbl h LEU 1012Ca 0.32 -0.38 -0.54 0.00 0.09 0.00 0.00 57.88 57.38 3hbl h LEU 1012Cb 0.17 -0.15 -0.37 0.00 0.09 0.00 0.00 40.66 40.39 3hbl h LEU 1012CO -0.17 1.16 -1.07 -1.22 0.09 0.00 0.00 178.44 177.23 3hbl n TYR 1013N -3.76 -0.57 -0.00 1.13 4.02 0.11 -4.37 117.16 113.72 3hbl n TYR 1013Ca -0.06 -3.44 -0.04 0.00 -0.01 0.00 0.00 57.90 54.35 3hbl n TYR 1013Cb 0.80 -0.22 -0.03 0.00 -0.02 0.00 0.00 39.34 39.88 3hbl n TYR 1013CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3hbl h PRO 1014N 4.03 -0.15 0.07 -0.72 0.11 -1.04 0.12 132.00 134.43 3hbl h PRO 1014Ca 0.06 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.21 3hbl h PRO 1014Cb 0.89 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.99 3hbl h PRO 1014CO 0.45 -0.10 -0.36 0.87 -0.21 0.00 0.00 178.00 178.65 3hbl h LYS 1015N -0.15 -0.54 -0.60 1.05 6.56 -1.96 -1.30 116.57 119.62 3hbl h LYS 1015Ca 0.01 0.04 0.06 0.00 -1.06 0.00 0.00 60.65 59.70 3hbl h LYS 1015Cb 0.18 0.12 -0.05 0.00 -0.57 0.00 0.00 32.23 31.91 3hbl h LYS 1015CO -0.11 -0.36 0.31 0.28 -2.06 0.00 0.00 179.45 177.50 3hbl h VAL 1016N -0.56 0.93 -0.20 0.50 2.07 -1.95 0.54 116.25 117.58 3hbl h VAL 1016Ca 0.04 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3hbl h VAL 1016Cb 0.61 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3hbl h VAL 1016CO -0.24 0.10 0.10 0.22 0.02 0.00 0.00 177.57 177.77 3hbl h TYR 1017N 0.57 0.29 -0.94 1.57 3.20 -0.75 0.04 116.97 120.95 3hbl h TYR 1017Ca 0.27 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.23 3hbl h TYR 1017Cb 0.20 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.31 3hbl h TYR 1017CO -0.10 0.29 0.60 0.93 -1.64 0.00 0.00 178.16 178.24 3hbl h GLU 1018N 0.20 0.92 -0.26 1.82 4.39 -0.18 -1.16 114.58 120.32 3hbl h GLU 1018Ca 0.07 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 3hbl h GLU 1018Cb 0.10 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3hbl h GLU 1018CO -0.01 0.61 -0.38 1.96 -1.16 0.00 0.00 179.01 180.03 3hbl h GLN 1019N 0.95 0.60 -0.88 2.33 4.20 -0.48 -2.77 115.11 119.05 3hbl h GLN 1019Ca 0.44 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 3hbl h GLN 1019Cb 0.41 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 3hbl h GLN 1019CO -0.20 0.88 0.44 -0.92 -0.67 0.00 0.00 178.83 178.36 3hbl h TYR 1020N 0.50 1.24 -0.20 2.96 3.20 0.18 -2.12 116.97 122.73 3hbl h TYR 1020Ca 0.05 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3hbl h TYR 1020Cb 0.88 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3hbl h TYR 1020CO 0.04 0.88 0.10 0.82 -1.64 0.00 0.00 178.16 178.35 3hbl h ILE 1021N 1.24 1.13 -0.82 1.81 1.08 -1.23 -0.86 117.51 119.86 3hbl h ILE 1021Ca 0.30 -0.37 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 3hbl h ILE 1021Cb 0.08 1.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.79 3hbl h ILE 1021CO -0.04 0.12 0.52 1.56 -0.69 0.00 0.00 178.15 179.62 3hbl h GLN 1022N 0.19 0.95 -0.41 2.37 1.08 -1.33 0.26 115.11 118.22 3hbl h GLN 1022Ca 0.07 -0.06 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 3hbl h GLN 1022Cb 0.11 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3hbl h GLN 1022CO -0.01 0.63 -0.26 1.15 -0.95 0.00 0.00 178.83 179.39 3hbl h THR 1023N 0.98 1.27 -0.76 -0.54 2.02 -1.32 -2.25 112.91 112.31 3hbl h THR 1023Ca 0.34 -1.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.05 3hbl h THR 1023Cb 0.08 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 3hbl h THR 1023CO -0.14 0.48 0.25 -0.09 0.37 0.00 0.00 175.52 176.38 3hbl h ARG 1024N 0.75 1.18 -0.10 6.66 2.43 -0.42 0.16 114.38 125.03 3hbl h ARG 1024Ca 0.09 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 3hbl h ARG 1024Cb 0.82 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3hbl h ARG 1024CO 0.07 0.99 -0.10 -0.91 -1.51 0.00 0.00 179.97 178.51 3hbl h ASN 1025N 1.13 0.14 0.11 -3.80 -0.26 -0.32 -0.71 115.58 111.87 3hbl h ASN 1025Ca 0.25 -0.02 -0.33 0.00 -0.56 0.00 0.00 56.30 55.64 3hbl h ASN 1025Cb 0.30 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 3hbl h ASN 1025CO -0.01 0.27 -1.74 -0.61 -1.06 0.00 0.00 177.43 174.28 3hbl h GLN 1026N 0.15 0.24 0.00 0.81 4.15 -1.04 -3.43 115.11 115.99 3hbl h GLN 1026Ca 0.03 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3hbl h GLN 1026Cb 0.28 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3hbl h GLN 1026CO 0.02 1.20 -0.64 0.66 -1.93 0.00 0.00 178.83 178.13 3hbl n TYR 1027N -3.73 0.00 -3.56 3.99 0.53 0.52 -4.71 117.16 110.19 3hbl n TYR 1027Ca -0.30 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.58 3hbl n TYR 1027Cb 0.97 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.28 3hbl n TYR 1027CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hbl n GLY 1028N 1.95 -0.40 3.49 2.72 0.00 -0.28 -4.21 105.19 108.47 3hbl n GLY 1028Ca -0.00 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 3hbl n GLY 1028CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hbl s ASN 1029N -4.00 6.65 0.46 1.61 3.84 -1.26 -4.56 114.94 117.69 3hbl s ASN 1029Ca 0.00 -1.99 0.21 0.00 0.21 0.00 0.00 52.86 51.28 3hbl s ASN 1029Cb 0.00 -2.46 1.14 0.00 -0.55 0.00 0.00 41.25 39.38 3hbl s ASN 1029CO 0.00 -1.17 1.98 -0.07 -2.79 0.00 0.00 177.10 175.05 3hbl h LEU 1030N 11.17 0.00 -1.62 3.21 3.38 -1.83 -3.04 115.31 126.58 3hbl h LEU 1030Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hbl h LEU 1030Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3hbl h LEU 1030CO 1.24 0.20 0.06 0.77 0.09 0.00 0.00 178.44 180.80 3hbl h SER 1031N 0.00 0.00 1.20 -0.43 4.64 -1.88 -1.36 113.55 115.72 3hbl h SER 1031Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hbl h SER 1031Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3hbl h SER 1031CO 0.03 0.00 -0.31 -0.07 -0.87 0.00 0.00 176.83 175.60 3hbl h LEU 1032N 0.00 0.00-10.00 5.97 3.38 -1.90 -3.37 115.31 109.39 3hbl h LEU 1032Ca 0.00 -0.10 -0.51 0.00 0.09 0.00 0.00 57.88 57.36 3hbl h LEU 1032Cb 0.13 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.95 3hbl h LEU 1032CO 0.00 0.05 0.50 -0.76 0.09 0.00 0.00 178.44 178.32 3hbl s LEU 1033N -4.46 4.02 0.61 1.67 1.43 -0.51 -4.46 118.68 116.97 3hbl s LEU 1033Ca 0.08 2.36 -0.18 0.00 -1.03 0.00 0.00 54.13 55.36 3hbl s LEU 1033Cb 0.13 -4.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 3hbl s LEU 1033CO 0.66 -0.95 1.17 1.51 0.23 0.00 0.00 176.35 178.97 3hbl s ASP 1034N -1.29 5.18 0.20 2.29 1.47 -1.26 -4.83 116.67 118.43 3hbl s ASP 1034Ca 0.64 2.26 -0.11 0.00 1.18 0.00 0.00 52.55 56.52 3hbl s ASP 1034Cb -0.30 -2.58 0.20 0.00 -0.34 0.00 0.00 42.92 39.90 3hbl s ASP 1034CO 0.36 -1.59 1.80 0.74 0.68 0.00 0.00 175.17 177.17 3hbl h THR 1035N 0.66 0.98 -1.00 2.11 2.02 -1.96 -0.84 112.91 114.88 3hbl h THR 1035Ca -0.49 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 66.54 3hbl h THR 1035Cb 1.28 0.28 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 3hbl h THR 1035CO 0.55 0.12 0.64 -0.65 0.37 0.00 0.00 175.52 176.55 3hbl h PRO 1036N 0.65 1.11 -0.16 6.66 0.11 -1.93 -0.44 132.00 138.00 3hbl h PRO 1036Ca 0.27 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 66.13 3hbl h PRO 1036Cb 0.15 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.01 3hbl h PRO 1036CO -0.17 0.74 -0.65 1.15 -0.21 0.00 0.00 178.00 178.86 3hbl h THR 1037N 1.15 1.32 -0.94 -1.15 2.02 -1.62 -0.53 112.91 113.15 3hbl h THR 1037Ca 0.44 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.71 3hbl h THR 1037Cb 0.22 1.89 -0.05 0.00 -1.74 0.00 0.00 68.15 68.47 3hbl h THR 1037CO -0.19 0.60 0.61 0.15 0.37 0.00 0.00 175.52 177.06 3hbl h PHE 1038N 0.44 1.21 0.01 3.16 3.57 -0.56 -0.90 116.94 123.86 3hbl h PHE 1038Ca -0.01 0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.22 3hbl h PHE 1038Cb 1.22 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 3hbl h PHE 1038CO 0.06 0.77 -1.64 0.74 -2.23 0.00 0.00 178.31 176.01 3hbl h PHE 1039N 1.29 0.04 0.00 0.41 0.05 -0.97 -3.42 116.94 114.33 3hbl h PHE 1039Ca 0.34 -0.03 0.00 0.00 3.82 0.00 0.00 57.97 62.11 3hbl h PHE 1039Cb -0.12 -0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.83 3hbl h PHE 1039CO 0.00 1.05 -0.34 1.19 -0.18 0.00 0.00 178.31 180.03 3hbl n PHE 1040N -3.11 0.00 -2.60 -0.55 3.01 -0.22 -4.49 117.46 109.50 3hbl n PHE 1040Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 3hbl n PHE 1040Cb 1.04 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.51 3hbl n PHE 1040CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hbl n GLY 1041N 1.36 0.36 3.10 1.37 0.00 -0.34 -4.10 105.19 106.94 3hbl n GLY 1041Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 3hbl n GLY 1041CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hbl s MET 1042N 0.00 0.64 0.34 1.61 -1.94 -1.26 -4.38 119.30 114.30 3hbl s MET 1042Ca 0.00 -0.86 -0.00 0.00 -1.71 0.00 0.00 55.69 53.11 3hbl s MET 1042Cb 0.00 -0.43 -0.04 0.00 2.01 0.00 0.00 34.83 36.37 3hbl s MET 1042CO 0.00 0.08 0.55 -0.98 -0.01 0.00 0.00 175.02 174.66 3hbl s ARG 1043N -1.82 3.50 0.23 2.03 1.70 -1.26 -4.91 118.95 118.42 3hbl s ARG 1043Ca -0.06 -0.28 -0.31 0.00 -0.47 0.00 0.00 55.73 54.61 3hbl s ARG 1043Cb -0.09 -2.66 -0.11 0.00 -0.57 0.00 0.00 34.95 31.52 3hbl s ARG 1043CO 0.01 0.15 1.64 -0.80 -1.08 0.00 0.00 175.30 175.22 3hbl s ASN 1044N -3.90 6.43 0.00 -2.89 0.02 -1.26 -1.94 114.94 111.40 3hbl s ASN 1044Ca 0.41 2.84 0.00 0.00 -1.02 0.00 0.00 52.86 55.08 3hbl s ASN 1044Cb -0.10 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.56 3hbl s ASN 1044CO 0.35 -0.91 0.00 0.61 0.02 0.00 0.00 177.10 177.17 3hbl n GLY 1045N 3.25 1.16 3.84 0.66 0.00 0.63 -5.03 105.19 109.70 3hbl n GLY 1045Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3hbl n GLY 1045CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hbl s GLU 1046N -0.34 4.07 -0.07 1.61 2.12 -0.82 -4.90 118.70 120.37 3hbl s GLU 1046Ca 0.00 0.86 0.03 0.00 0.36 0.00 0.00 54.97 56.22 3hbl s GLU 1046Cb 0.00 -2.30 0.01 0.00 0.26 0.00 0.00 34.13 32.10 3hbl s GLU 1046CO 0.00 0.02 -0.15 0.99 -0.54 0.00 0.00 175.26 175.58 3hbl s THR 1047N -2.17 1.32 -0.05 -1.70 2.01 -1.26 -1.88 115.64 111.91 3hbl s THR 1047Ca 0.58 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 62.03 3hbl s THR 1047Cb -0.10 -1.19 -0.00 0.00 0.01 0.00 0.00 72.50 71.23 3hbl s THR 1047CO 0.18 0.40 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.65 3hbl s VAL 1048N 0.58 1.46 -0.18 3.82 1.01 0.59 -5.00 120.40 122.69 3hbl s VAL 1048Ca -0.15 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 3hbl s VAL 1048Cb -0.16 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3hbl s VAL 1048CO 0.05 0.42 0.09 -1.61 0.00 0.00 0.00 175.10 174.05 3hbl s GLU 1049N 0.10 3.95 -0.26 2.72 2.02 -1.26 -1.02 118.70 124.95 3hbl s GLU 1049Ca -0.06 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.62 3hbl s GLU 1049Cb -0.12 -3.27 0.01 0.00 0.10 0.00 0.00 34.13 30.85 3hbl s GLU 1049CO 0.03 0.37 0.00 0.42 0.02 0.00 0.00 175.26 176.10 3hbl s ILE 1050N 0.14 3.46 -0.56 -1.63 1.09 0.80 -4.85 121.20 119.64 3hbl s ILE 1050Ca 0.07 -0.76 -0.27 0.00 -1.10 0.00 0.00 60.65 58.58 3hbl s ILE 1050Cb -0.12 -2.73 -0.01 0.00 -1.06 0.00 0.00 42.46 38.54 3hbl s ILE 1050CO -0.00 0.19 1.68 -0.70 -0.10 0.00 0.00 174.94 176.01 3hbl s GLU 1051N 1.43 2.98 0.08 2.79 2.12 -1.26 -0.02 118.70 126.82 3hbl s GLU 1051Ca 0.02 0.63 -0.01 0.00 0.36 0.00 0.00 54.97 55.97 3hbl s GLU 1051Cb -0.16 -4.26 -0.26 0.00 0.26 0.00 0.00 34.13 29.70 3hbl s GLU 1051CO -0.01 -2.32 1.15 0.82 -0.54 0.00 0.00 175.26 174.36 3hbl h ILE 1052N 6.66 1.53 -1.41 -3.70 5.03 -1.79 -3.48 117.51 120.35 3hbl h ILE 1052Ca -0.28 -3.15 0.31 0.00 -0.12 0.00 0.00 64.86 61.63 3hbl h ILE 1052Cb 1.13 2.90 -0.14 0.00 -3.03 0.00 0.00 36.82 37.68 3hbl h ILE 1052CO 1.18 0.91 0.84 -0.62 -0.68 0.00 0.00 178.15 179.78 3hbl s ASP 1053N -7.00 -0.07 -0.25 1.72 3.68 -0.86 -5.04 116.67 108.85 3hbl s ASP 1053Ca -0.03 -0.08 -0.36 0.00 2.13 0.00 0.00 52.55 54.21 3hbl s ASP 1053Cb 0.08 0.14 -0.12 0.00 -1.45 0.00 0.00 42.92 41.56 3hbl s ASP 1053CO 0.86 -0.25 1.97 0.29 0.13 0.00 0.00 175.17 178.17 3hbl n LYS 1054N -0.35 1.46 -0.16 4.34 4.76 -1.26 -1.74 118.16 125.21 3hbl n LYS 1054Ca -0.05 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.88 3hbl n LYS 1054Cb 0.61 -2.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.37 3hbl n LYS 1054CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hbl n GLY 1055N 5.20 2.11 3.21 0.72 0.00 -1.26 -4.98 105.19 110.20 3hbl n GLY 1055Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 3hbl n GLY 1055CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hbl s LYS 1056N -0.04 3.17 0.07 1.61 0.00 -0.71 -5.12 119.74 118.72 3hbl s LYS 1056Ca 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 55.97 55.27 3hbl s LYS 1056Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 37.83 35.06 3hbl s LYS 1056CO 0.00 -0.17 -0.13 -0.98 0.00 0.00 0.00 175.35 174.08 3hbl s ARG 1057N 1.27 0.79 -0.31 1.78 1.70 -1.26 -2.03 118.95 120.90 3hbl s ARG 1057Ca 0.03 -0.97 -0.18 0.00 -0.47 0.00 0.00 55.73 54.14 3hbl s ARG 1057Cb -0.14 -0.71 -0.02 0.00 -0.57 0.00 0.00 34.95 33.51 3hbl s ARG 1057CO -0.07 0.15 0.51 -1.17 -1.08 0.00 0.00 175.30 173.63 3hbl s LEU 1058N -1.86 4.19 -0.36 -1.89 2.96 0.97 -4.89 118.68 117.79 3hbl s LEU 1058Ca -0.01 0.24 -0.13 0.00 -0.22 0.00 0.00 54.13 54.01 3hbl s LEU 1058Cb -0.09 -2.62 0.00 0.00 0.50 0.00 0.00 46.19 43.99 3hbl s LEU 1058CO 0.02 -0.38 0.24 -0.63 -1.32 0.00 0.00 176.35 174.28 3hbl s ILE 1059N 2.35 5.08 -0.13 6.68 -1.09 -1.26 -0.14 121.20 132.69 3hbl s ILE 1059Ca 0.20 -0.46 0.03 0.00 -2.23 0.00 0.00 60.65 58.19 3hbl s ILE 1059Cb -0.15 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 3hbl s ILE 1059CO 0.11 -0.11 -0.21 -0.63 -1.23 0.00 0.00 174.94 172.87 3hbl s ILE 1060N 1.67 1.98 -0.11 2.92 1.01 -0.19 -0.84 121.20 127.64 3hbl s ILE 1060Ca 0.05 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.78 3hbl s ILE 1060Cb -0.18 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 3hbl s ILE 1060CO 0.09 0.54 -0.17 -0.75 0.00 0.00 0.00 174.94 174.64 3hbl s LYS 1061N 0.72 3.21 -0.33 2.79 2.20 -0.29 -0.30 119.74 127.75 3hbl s LYS 1061Ca -0.10 -0.76 -0.18 0.00 -0.36 0.00 0.00 55.97 54.57 3hbl s LYS 1061Cb -0.16 -2.49 -0.01 0.00 -1.51 0.00 0.00 37.83 33.66 3hbl s LYS 1061CO 0.01 0.22 0.51 -1.17 -0.36 0.00 0.00 175.35 174.56 3hbl s LEU 1062N 0.29 4.25 -0.11 5.43 0.20 -0.79 -0.02 118.68 127.94 3hbl s LEU 1062Ca -0.13 0.12 -0.05 0.00 0.69 0.00 0.00 54.13 54.77 3hbl s LEU 1062Cb -0.16 -2.60 -0.02 0.00 -0.43 0.00 0.00 46.19 42.98 3hbl s LEU 1062CO 0.07 -0.42 -0.10 -0.33 -0.29 0.00 0.00 176.35 175.28 3hbl h GLU 1063N 8.34 0.00 -3.47 1.98 5.08 -1.12 0.18 114.58 125.57 3hbl h GLU 1063Ca -0.28 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 3hbl h GLU 1063Cb 1.13 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.27 3hbl h GLU 1063CO 0.75 0.00 -0.08 0.99 -1.00 0.00 0.00 179.01 179.68 3hbl s THR 1064N -1.87 0.04 -0.08 1.13 2.01 -1.19 -4.06 115.64 111.63 3hbl s THR 1064Ca -0.08 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.03 3hbl s THR 1064Cb 0.01 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 3hbl s THR 1064CO 0.12 -0.18 -0.24 -0.63 -0.69 0.00 0.00 174.62 172.99 3hbl s ILE 1065N -3.90 2.04 0.95 1.82 1.01 -1.26 -0.84 121.20 121.02 3hbl s ILE 1065Ca 0.11 -1.03 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 3hbl s ILE 1065Cb 0.00 -1.74 0.20 0.00 0.01 0.00 0.00 42.46 40.93 3hbl s ILE 1065CO -0.03 0.56 1.30 -0.94 0.00 0.00 0.00 174.94 175.84 3hbl s SER 1066N 0.09 3.17 0.62 3.58 1.04 0.51 -4.97 113.70 117.75 3hbl s SER 1066Ca -0.11 0.20 -0.16 0.00 0.48 0.00 0.00 55.95 56.35 3hbl s SER 1066Cb -0.16 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.69 3hbl s SER 1066CO 0.06 -2.69 1.12 -1.61 0.98 0.00 0.00 173.24 171.10 3hbl s GLU 1067N -5.84 2.98 0.14 4.02 0.41 -1.26 -4.56 118.70 114.58 3hbl s GLU 1067Ca 0.74 1.46 -0.31 0.00 -0.41 0.00 0.00 54.97 56.45 3hbl s GLU 1067Cb -0.04 -1.97 -0.08 0.00 -1.78 0.00 0.00 34.13 30.27 3hbl s GLU 1067CO 0.52 -1.12 1.32 -2.14 -0.49 0.00 0.00 175.26 173.36 3hbl s PRO 1068N -3.85 4.37 0.00 0.39 0.02 -1.26 -4.45 135.00 130.22 3hbl s PRO 1068Ca 0.69 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3hbl s PRO 1068Cb -0.21 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3hbl s PRO 1068CO 0.37 -0.33 0.00 -0.40 -0.33 0.00 0.00 177.00 176.31 3hbl n ASP 1069N 3.37 -0.59 0.00 2.53 3.85 -0.88 -4.81 116.55 120.02 3hbl n ASP 1069Ca 0.09 -0.60 0.06 0.00 -0.71 0.00 0.00 54.79 53.63 3hbl n ASP 1069Cb 0.43 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.49 3hbl n ASP 1069CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3hbl n GLU 1070N -1.19 0.11 -0.22 0.11 1.02 -1.26 -1.93 120.64 117.28 3hbl n GLU 1070Ca 0.00 0.21 0.09 0.00 -0.02 0.00 0.00 57.16 57.44 3hbl n GLU 1070Cb 0.00 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.08 3hbl n GLU 1070CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hbl n ASN 1071N -1.36 2.29 -1.55 1.62 5.03 -1.26 -4.97 115.26 115.06 3hbl n ASN 1071Ca 0.05 -3.28 -0.17 0.00 0.87 0.00 0.00 54.58 52.05 3hbl n ASN 1071Cb 0.11 -0.46 -0.04 0.00 -1.02 0.00 0.00 39.78 38.37 3hbl n ASN 1071CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hbl n GLY 1072N -1.32 0.83 3.43 7.41 0.00 -0.81 -4.89 105.19 109.83 3hbl n GLY 1072Ca 0.17 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3hbl n GLY 1072CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hbl s ASN 1073N -2.58 5.91 0.10 1.61 0.01 -1.26 -0.19 114.94 118.55 3hbl s ASN 1073Ca 0.00 -0.87 -0.20 0.00 -0.71 0.00 0.00 52.86 51.08 3hbl s ASN 1073Cb 0.00 -2.09 -0.07 0.00 0.41 0.00 0.00 41.25 39.50 3hbl s ASN 1073CO 0.00 -0.39 0.60 -0.13 -1.51 0.00 0.00 177.10 175.68 3hbl s ARG 1074N 1.63 4.23 -0.21 -0.60 0.52 -0.43 -2.08 118.95 122.01 3hbl s ARG 1074Ca 0.04 0.77 -0.14 0.00 -0.52 0.00 0.00 55.73 55.88 3hbl s ARG 1074Cb -0.19 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 3hbl s ARG 1074CO 0.08 0.60 0.33 0.99 0.02 0.00 0.00 175.30 177.33 3hbl s THR 1075N -1.18 5.24 -0.22 0.02 2.01 -1.26 -2.18 115.64 118.07 3hbl s THR 1075Ca 0.32 0.57 -0.09 0.00 0.31 0.00 0.00 61.69 62.79 3hbl s THR 1075Cb -0.19 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 3hbl s THR 1075CO 0.20 0.28 0.11 -0.63 -0.69 0.00 0.00 174.62 173.89 3hbl s ILE 1076N 1.22 4.99 -0.38 1.82 1.01 -0.47 -0.36 121.20 129.03 3hbl s ILE 1076Ca 0.16 0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.71 3hbl s ILE 1076Cb -0.14 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3hbl s ILE 1076CO 0.07 0.39 0.29 -0.31 0.00 0.00 0.00 174.94 175.38 3hbl s TYR 1077N 0.89 3.23 0.29 3.97 1.51 -0.02 -1.88 117.35 125.34 3hbl s TYR 1077Ca 0.06 -0.41 0.09 0.00 -1.01 0.00 0.00 57.07 55.80 3hbl s TYR 1077Cb -0.13 -2.57 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 3hbl s TYR 1077CO 0.03 -0.51 0.06 0.71 -1.11 0.00 0.00 175.55 174.73 3hbl s TYR 1078N 1.74 2.72 -0.32 2.71 4.12 0.11 -0.51 117.35 127.92 3hbl s TYR 1078Ca 0.06 -0.28 0.01 0.00 0.02 0.00 0.00 57.07 56.88 3hbl s TYR 1078Cb -0.18 -1.36 0.10 0.00 -1.52 0.00 0.00 41.96 39.00 3hbl s TYR 1078CO 0.11 0.52 0.08 0.00 0.02 0.00 0.00 175.55 176.28 3hbl s ALA 1079N -2.35 1.93 -0.24 3.71 0.00 0.98 -2.15 121.76 123.63 3hbl s ALA 1079Ca 0.34 -1.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.26 3hbl s ALA 1079Cb -0.05 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 3hbl s ALA 1079CO 0.21 -1.67 0.19 -1.64 0.00 0.00 0.00 175.76 172.84 3hbl s MET 1080N 1.41 4.07 -1.31 0.00 -1.94 -0.31 -1.13 119.30 120.08 3hbl s MET 1080Ca 0.10 -0.22 -0.22 0.00 -1.71 0.00 0.00 55.69 53.64 3hbl s MET 1080Cb -0.18 -3.55 0.03 0.00 2.01 0.00 0.00 34.83 33.14 3hbl s MET 1080CO -0.20 0.03 0.42 0.09 -0.01 0.00 0.00 175.02 175.34 3hbl n ASN 1081N 4.38 -2.15 0.00 3.03 3.02 -0.02 0.21 115.26 123.73 3hbl n ASN 1081Ca -0.14 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 3hbl n ASN 1081Cb 0.52 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 3hbl n ASN 1081CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbl n GLY 1082N -2.27 2.21 3.72 7.41 0.00 -1.26 -4.99 105.19 110.00 3hbl n GLY 1082Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3hbl n GLY 1082CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hbl s GLN 1083N -0.02 3.20 0.62 1.61 0.74 0.13 -5.10 119.66 120.84 3hbl s GLN 1083Ca 0.00 -0.34 -0.17 0.00 0.05 0.00 0.00 55.36 54.90 3hbl s GLN 1083Cb 0.00 -2.93 -0.02 0.00 1.10 0.00 0.00 33.01 31.16 3hbl s GLN 1083CO 0.00 0.67 1.15 0.00 -0.55 0.00 0.00 175.29 176.56 3hbl s ALA 1084N -0.76 2.51 -0.28 1.58 0.00 -1.26 -1.16 121.76 122.39 3hbl s ALA 1084Ca 0.12 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 3hbl s ALA 1084Cb -0.12 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 19.74 3hbl s ALA 1084CO 0.02 -1.17 0.88 0.50 0.00 0.00 0.00 175.76 176.00 3hbl s ARG 1085N -3.64 0.52 0.09 0.00 6.06 -0.91 -4.86 118.95 116.21 3hbl s ARG 1085Ca 0.72 0.84 0.09 0.00 -2.50 0.00 0.00 55.73 54.88 3hbl s ARG 1085Cb -0.25 0.14 -0.03 0.00 0.06 0.00 0.00 34.95 34.86 3hbl s ARG 1085CO 0.35 -0.10 -0.25 1.03 -2.50 0.00 0.00 175.30 173.84 3hbl s ARG 1086N 1.22 1.48 0.04 5.12 0.52 -1.26 0.06 118.95 126.14 3hbl s ARG 1086Ca -0.07 -1.19 -0.01 0.00 -0.52 0.00 0.00 55.73 53.95 3hbl s ARG 1086Cb -0.04 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 3hbl s ARG 1086CO -0.14 0.44 -0.03 0.42 0.02 0.00 0.00 175.30 176.01 3hbl s ILE 1087N -0.96 0.19 -0.14 1.52 -1.09 -0.79 -4.98 121.20 114.96 3hbl s ILE 1087Ca 0.11 -1.56 0.03 0.00 -2.23 0.00 0.00 60.65 57.00 3hbl s ILE 1087Cb -0.10 -1.17 0.01 0.00 -1.58 0.00 0.00 42.46 39.62 3hbl s ILE 1087CO 0.04 -0.86 -0.22 -0.31 -1.23 0.00 0.00 174.94 172.36 3hbl s TYR 1088N -3.24 2.67 -0.03 3.97 1.51 -1.26 -1.36 117.35 119.60 3hbl s TYR 1088Ca 0.01 -1.32 0.04 0.00 -1.01 0.00 0.00 57.07 54.78 3hbl s TYR 1088Cb 0.03 -1.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.07 3hbl s TYR 1088CO -0.07 -0.60 -0.16 0.42 -1.11 0.00 0.00 175.55 174.03 3hbl s ILE 1089N 0.79 1.31 0.00 2.71 1.09 -0.93 -4.98 121.20 121.19 3hbl s ILE 1089Ca -0.08 -0.66 -0.30 0.00 -1.10 0.00 0.00 60.65 58.51 3hbl s ILE 1089Cb -0.16 -1.12 -0.05 0.00 -1.06 0.00 0.00 42.46 40.07 3hbl s ILE 1089CO -0.01 0.38 1.31 -0.75 -0.10 0.00 0.00 174.94 175.76 3hbl s LYS 1090N -0.02 4.33 -0.26 2.79 2.47 -1.26 -1.32 119.74 126.48 3hbl s LYS 1090Ca -0.02 1.85 -0.25 0.00 -1.56 0.00 0.00 55.97 55.99 3hbl s LYS 1090Cb -0.10 -3.50 -0.00 0.00 -1.46 0.00 0.00 37.83 32.76 3hbl s LYS 1090CO 0.01 -0.47 0.85 0.34 0.16 0.00 0.00 175.35 176.25 3hbl s ASP 1091N 1.56 6.83 0.00 1.43 3.68 0.74 -4.89 116.67 126.01 3hbl s ASP 1091Ca 0.61 0.99 0.00 0.00 2.13 0.00 0.00 52.55 56.28 3hbl s ASP 1091Cb -0.29 -2.45 0.00 0.00 -1.45 0.00 0.00 42.92 38.73 3hbl s ASP 1091CO 0.26 -0.57 1.02 -0.62 0.13 0.00 0.00 175.17 175.39 3hbl n GLU 1092N 6.13 0.65 -3.38 4.34 1.02 -1.26 -4.95 120.64 123.20 3hbl n GLU 1092Ca 0.06 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.22 3hbl n GLU 1092Cb 0.47 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.69 3hbl n GLU 1092CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hbl s ASN 1093N 1.57 -0.97 -0.05 1.62 2.20 -1.26 -5.14 114.94 112.91 3hbl s ASN 1093Ca 0.00 1.00 0.03 0.00 -0.94 0.00 0.00 52.86 52.95 3hbl s ASN 1093Cb 0.00 1.97 0.01 0.00 -2.00 0.00 0.00 41.25 41.23 3hbl s ASN 1093CO 0.00 -0.18 -0.12 -0.75 -2.94 0.00 0.00 177.10 173.11 3hbl s LYS 1101N 2.78 1.44 0.35 3.55 2.20 -1.26 -5.11 119.74 123.69 3hbl s LYS 1101Ca 0.03 -0.41 -0.25 0.00 -0.36 0.00 0.00 55.97 54.98 3hbl s LYS 1101Cb -0.11 -1.25 -0.14 0.00 -1.51 0.00 0.00 37.83 34.82 3hbl s LYS 1101CO -0.18 0.10 0.68 -0.35 -0.36 0.00 0.00 175.35 175.25 3hbl n PRO 1102N 3.49 0.72 -0.92 4.03 -0.04 -1.26 -5.03 135.00 135.99 3hbl n PRO 1102Ca -0.20 0.26 -0.07 0.00 -0.04 0.00 0.00 63.50 63.44 3hbl n PRO 1102Cb 0.53 -1.53 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 3hbl n PRO 1102CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3hbl n LYS 1103N 0.68 0.13 -2.89 0.54 2.85 -1.26 -3.71 118.16 114.49 3hbl n LYS 1103Ca 0.12 -0.68 -0.08 0.00 -1.05 0.00 0.00 58.31 56.62 3hbl n LYS 1103Cb 0.35 -0.26 -0.03 0.00 -0.65 0.00 0.00 35.03 34.44 3hbl n LYS 1103CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hbl n ALA 1104N -3.07 0.28 -3.14 0.58 0.00 -1.14 -2.77 120.51 111.25 3hbl n ALA 1104Ca -0.05 -0.78 -0.26 0.00 0.00 0.00 0.00 53.44 52.35 3hbl n ALA 1104Cb 0.16 0.62 -0.16 0.00 0.00 0.00 0.00 19.45 20.07 3hbl n ALA 1104CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hbl s ASP 1105N -1.93 2.07 -0.53 0.00 -1.08 -1.26 -4.97 116.67 108.98 3hbl s ASP 1105Ca 0.15 -0.35 0.07 0.00 -0.52 0.00 0.00 52.55 51.91 3hbl s ASP 1105Cb 0.01 -0.76 0.32 0.00 -1.46 0.00 0.00 42.92 41.04 3hbl s ASP 1105CO 0.11 0.11 0.85 1.17 0.52 0.00 0.00 175.17 177.92 3hbl n LYS 1106N 3.43 2.50 0.10 4.34 4.81 -1.26 -4.65 118.16 127.43 3hbl n LYS 1106Ca -0.20 -4.42 0.00 0.00 -0.87 0.00 0.00 58.31 52.82 3hbl n LYS 1106Cb 0.53 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.51 3hbl n LYS 1106CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3hbl n SER 1107N 0.11 -1.34 0.00 3.14 3.41 -1.26 -5.11 113.62 112.57 3hbl n SER 1107Ca 0.29 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 3hbl n SER 1107Cb 0.46 1.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.87 3hbl n SER 1107CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hbl n ASN 1108N -2.95 0.00 -4.82 4.04 3.02 -1.26 -5.06 115.26 108.22 3hbl n ASN 1108Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 3hbl n ASN 1108Cb 0.00 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 3hbl n ASN 1108CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3hbl s PRO 1109N -0.41 3.77 -1.30 3.52 0.02 -1.26 -4.92 135.00 134.43 3hbl s PRO 1109Ca 0.00 1.14 -0.17 0.00 0.02 0.00 0.00 61.00 61.98 3hbl s PRO 1109Cb 0.00 -2.10 0.02 0.00 0.02 0.00 0.00 34.50 32.44 3hbl s PRO 1109CO 0.00 -0.43 1.96 0.43 -0.33 0.00 0.00 177.00 178.64 3hbl n SER 1110N -1.45 4.11 -4.89 2.53 7.64 -1.26 -4.88 113.62 115.41 3hbl n SER 1110Ca 0.08 -2.84 -0.22 0.00 1.01 0.00 0.00 58.87 56.89 3hbl n SER 1110Cb 0.53 -1.65 0.06 0.00 -1.01 0.00 0.00 64.21 62.14 3hbl n SER 1110CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hbl s HIS 1111N 4.58 2.51 -0.34 1.43 3.76 -1.26 -2.06 115.29 123.90 3hbl s HIS 1111Ca 0.53 -0.06 0.04 0.00 -0.15 0.00 0.00 55.06 55.42 3hbl s HIS 1111Cb 0.08 -2.84 0.10 0.00 1.11 0.00 0.00 32.58 31.03 3hbl s HIS 1111CO 0.02 -1.14 0.05 0.42 -0.85 0.00 0.00 174.74 173.25 3hbl s ILE 1112N -2.90 2.22 0.12 0.60 1.01 0.69 -4.93 121.20 118.01 3hbl s ILE 1112Ca 0.60 -2.31 -0.15 0.00 0.00 0.00 0.00 60.65 58.80 3hbl s ILE 1112Cb -0.09 -2.65 -0.07 0.00 0.01 0.00 0.00 42.46 39.67 3hbl s ILE 1112CO 0.40 -0.60 0.53 -0.83 0.00 0.00 0.00 174.94 174.44 3hbl s GLY 1113N 0.93 2.48 0.32 6.18 0.00 -1.26 -1.83 107.32 114.15 3hbl s GLY 1113Ca 0.11 -0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.40 3hbl s GLY 1113CO -0.09 0.16 1.40 0.00 0.00 0.00 0.00 173.10 174.58 3hbl s ALA 1114N -1.38 3.56 -0.03 3.20 0.00 -0.36 -4.81 121.76 121.94 3hbl s ALA 1114Ca 0.35 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.74 3hbl s ALA 1114Cb -0.16 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 3hbl s ALA 1114CO 0.19 -0.80 0.06 1.04 0.00 0.00 0.00 175.76 176.24 3hbl n GLN 1115N 1.12 1.94 -4.84 0.00 6.02 -1.26 -0.99 117.38 119.38 3hbl n GLN 1115Ca 0.02 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 3hbl n GLN 1115Cb 0.40 -1.12 -0.17 0.00 1.02 0.00 0.00 30.24 30.38 3hbl n GLN 1115CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hbl s MET 1116N -2.22 2.77 -0.00 -1.09 0.23 -1.26 -4.93 119.30 112.80 3hbl s MET 1116Ca -0.02 -0.77 -0.30 0.00 -1.03 0.00 0.00 55.69 53.56 3hbl s MET 1116Cb 0.02 -2.19 -0.04 0.00 -1.53 0.00 0.00 34.83 31.09 3hbl s MET 1116CO 0.20 0.06 1.16 -1.25 -2.03 0.00 0.00 175.02 173.16 3hbl s PRO 1117N 0.65 4.41 0.00 3.16 0.04 -1.26 -4.84 135.00 137.16 3hbl s PRO 1117Ca -0.12 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.59 3hbl s PRO 1117Cb -0.16 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.91 3hbl s PRO 1117CO 0.03 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.16 3hbl n GLY 1118N 3.24 1.35 3.38 0.56 0.00 -0.76 -4.86 105.19 108.08 3hbl n GLY 1118Ca 0.09 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3hbl n GLY 1118CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hbl s SER 1119N 2.00 3.29 -0.10 1.61 0.01 -0.86 -0.87 113.70 118.78 3hbl s SER 1119Ca 0.00 -0.72 -0.24 0.00 1.31 0.00 0.00 55.95 56.30 3hbl s SER 1119Cb 0.00 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 3hbl s SER 1119CO 0.00 0.19 0.75 -0.69 0.41 0.00 0.00 173.24 173.90 3hbl s VAL 1120N -1.01 4.99 -0.26 3.43 1.01 -0.54 -0.69 120.40 127.32 3hbl s VAL 1120Ca 0.14 1.51 -0.10 0.00 0.00 0.00 0.00 61.98 63.52 3hbl s VAL 1120Cb -0.10 -4.08 -0.15 0.00 0.00 0.00 0.00 36.38 32.06 3hbl s VAL 1120CO 0.05 0.17 -0.22 0.41 0.00 0.00 0.00 175.10 175.52 3hbl n THR 1121N 4.13 1.54 -3.85 3.92 -1.04 0.05 -1.97 114.28 117.06 3hbl n THR 1121Ca 0.01 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.05 61.49 3hbl n THR 1121Cb 0.50 -1.77 -0.13 0.00 -1.82 0.00 0.00 70.33 67.11 3hbl n THR 1121CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3hbl s GLU 1122N -2.50 0.13 -0.20 -2.82 2.12 -0.49 -4.75 118.70 110.20 3hbl s GLU 1122Ca -0.36 0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.04 3hbl s GLU 1122Cb 0.12 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.57 3hbl s GLU 1122CO 0.55 -0.02 -0.11 0.54 -0.54 0.00 0.00 175.26 175.68 3hbl s VAL 1123N -0.06 2.87 -0.18 3.70 0.11 -1.26 -0.95 120.40 124.64 3hbl s VAL 1123Ca -0.01 -0.67 0.12 0.00 -2.93 0.00 0.00 61.98 58.48 3hbl s VAL 1123Cb -0.01 -2.27 -0.19 0.00 -1.53 0.00 0.00 36.38 32.38 3hbl s VAL 1123CO 0.00 0.48 -0.00 0.29 -3.33 0.00 0.00 175.10 172.54 3hbl n LYS 1124N 4.59 1.11 -3.41 1.54 5.02 -0.81 -4.98 118.16 121.22 3hbl n LYS 1124Ca -0.19 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 3hbl n LYS 1124Cb 0.51 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 34.03 3hbl n LYS 1124CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3hbl s VAL 1125N -2.41 5.24 0.00 -0.18 -7.23 -1.18 -5.08 120.40 109.56 3hbl s VAL 1125Ca -0.13 0.77 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 3hbl s VAL 1125Cb 0.05 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.26 3hbl s VAL 1125CO 0.64 0.35 0.00 -0.24 -0.31 0.00 0.00 175.10 175.54 3hbl n SER 1126N 3.65 0.00 0.13 4.85 2.88 -1.26 -4.94 113.62 118.93 3hbl n SER 1126Ca -0.09 -0.51 -0.07 0.00 -1.33 0.00 0.00 58.87 56.87 3hbl n SER 1126Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 3hbl n SER 1126CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3hbl h VAL 1127N -0.37 0.12 -3.45 2.46 2.07 -1.94 -3.43 116.25 111.71 3hbl h VAL 1127Ca 0.00 -0.75 -0.71 0.00 0.82 0.00 0.00 66.70 66.07 3hbl h VAL 1127Cb 0.00 0.21 -0.32 0.00 -1.52 0.00 0.00 31.29 29.66 3hbl h VAL 1127CO 0.00 0.03 -0.51 -0.83 0.02 0.00 0.00 177.57 176.29 3hbl s GLY 1128N -3.09 1.98 -0.22 2.17 0.00 -1.26 -4.35 107.32 102.55 3hbl s GLY 1128Ca -0.07 -2.41 -0.26 0.00 0.00 0.00 0.00 44.72 41.98 3hbl s GLY 1128CO 0.23 1.01 0.70 1.85 0.00 0.00 0.00 173.10 176.90 3hbl s GLU 1129N 1.25 0.87 0.23 2.90 2.12 -1.26 -5.05 118.70 119.77 3hbl s GLU 1129Ca 0.06 0.82 -0.28 0.00 0.36 0.00 0.00 54.97 55.93 3hbl s GLU 1129Cb -0.23 0.42 -0.09 0.00 0.26 0.00 0.00 34.13 34.49 3hbl s GLU 1129CO -0.02 -0.15 0.89 0.99 -0.54 0.00 0.00 175.26 176.44 3hbl s THR 1130N 0.04 4.17 -0.02 -1.70 2.01 -1.26 -2.98 115.64 115.89 3hbl s THR 1130Ca -0.02 1.94 0.01 0.00 0.31 0.00 0.00 61.69 63.93 3hbl s THR 1130Cb -0.04 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.25 3hbl s THR 1130CO 0.03 0.46 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.70 3hbl s VAL 1131N -1.23 0.31 0.25 3.82 1.01 -0.30 -5.00 120.40 119.27 3hbl s VAL 1131Ca 0.41 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.37 3hbl s VAL 1131Cb -0.24 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 35.83 3hbl s VAL 1131CO 0.29 0.15 0.28 0.29 0.00 0.00 0.00 175.10 176.11 3hbl n LYS 1132N 3.72 0.97 -1.87 2.72 5.02 -1.26 -1.56 118.16 125.89 3hbl n LYS 1132Ca -0.22 -1.48 -0.38 0.00 -2.02 0.00 0.00 58.31 54.21 3hbl n LYS 1132Cb 0.53 0.02 0.03 0.00 -0.02 0.00 0.00 35.03 35.60 3hbl n LYS 1132CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hbl s ALA 1133N -2.33 2.80 0.00 7.82 0.00 -1.24 -3.31 121.76 125.50 3hbl s ALA 1133Ca 0.21 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3hbl s ALA 1133Cb -0.02 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3hbl s ALA 1133CO 0.13 -1.26 0.00 0.09 0.00 0.00 0.00 175.76 174.72 3hbl n ASN 1134N -1.03 0.00 -4.70 0.00 3.02 -0.36 -4.86 115.26 107.34 3hbl n ASN 1134Ca 0.10 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.22 3hbl n ASN 1134Cb 0.46 -1.93 -0.03 0.00 -0.61 0.00 0.00 39.78 37.66 3hbl n ASN 1134CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3hbl n GLN 1135N -2.00 2.60 -1.81 3.52 -0.06 -1.21 -3.75 117.38 114.67 3hbl n GLN 1135Ca 0.00 0.94 -0.40 0.00 -2.00 0.00 0.00 57.00 55.55 3hbl n GLN 1135Cb 0.00 -2.79 0.02 0.00 -4.06 0.00 0.00 30.24 23.41 3hbl n GLN 1135CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3hbl s PRO 1136N 1.79 3.63 0.00 3.69 0.04 -1.26 -1.08 135.00 141.81 3hbl s PRO 1136Ca 0.79 2.38 0.00 0.00 0.04 0.00 0.00 61.00 64.21 3hbl s PRO 1136Cb -0.55 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.38 3hbl s PRO 1136CO 0.36 -0.85 0.00 1.28 0.04 0.00 0.00 177.00 177.83 3hbl n LEU 1137N -0.29 1.30 -3.66 -3.56 4.77 0.13 -4.87 117.00 110.82 3hbl n LEU 1137Ca 0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 3hbl n LEU 1137Cb 0.42 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 3hbl n LEU 1137CO 0.58 0.18 -0.15 -0.22 -1.33 0.00 0.00 177.39 176.45 3hbl s LEU 1138N -4.29 -0.27 -0.42 2.23 2.96 -1.21 -1.93 118.68 115.76 3hbl s LEU 1138Ca 0.00 0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 54.28 3hbl s LEU 1138Cb 0.00 0.64 0.02 0.00 0.50 0.00 0.00 46.19 47.36 3hbl s LEU 1138CO 0.00 -0.24 0.43 -0.63 -1.32 0.00 0.00 176.35 174.59 3hbl s ILE 1139N 2.40 5.10 0.03 6.68 1.01 -0.12 -0.23 121.20 136.06 3hbl s ILE 1139Ca 0.02 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.38 3hbl s ILE 1139Cb -0.12 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 3hbl s ILE 1139CO -0.08 -0.42 -0.24 0.42 0.00 0.00 0.00 174.94 174.61 3hbl s THR 1140N 2.11 2.30 -0.02 2.92 -4.23 -1.12 -0.77 115.64 116.82 3hbl s THR 1140Ca 0.12 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.42 3hbl s THR 1140Cb -0.17 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 71.76 3hbl s THR 1140CO 0.13 0.41 -0.18 -0.70 -0.54 0.00 0.00 174.62 173.74 3hbl s GLU 1141N -1.13 1.55 0.00 3.99 2.12 0.13 -2.32 118.70 123.04 3hbl s GLU 1141Ca 0.12 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.79 3hbl s GLU 1141Cb -0.10 -1.47 0.00 0.00 0.26 0.00 0.00 34.13 32.82 3hbl s GLU 1141CO 0.02 0.38 0.00 0.00 -0.54 0.00 0.00 175.26 175.12 3hbl n ALA 1142N 2.69 0.00 0.00 6.30 0.00 -0.52 -2.02 120.51 126.96 3hbl n ALA 1142Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 3hbl n ALA 1142Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 3hbl n ALA 1142CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3hbl h MET 1143N 0.00 -0.04 -0.56 0.00 4.05 -2.01 -3.39 114.93 112.98 3hbl h MET 1143Ca 0.00 0.00 -0.40 0.00 -0.28 0.00 0.00 59.70 59.02 3hbl h MET 1143Cb 0.00 0.01 -0.31 0.00 -0.80 0.00 0.00 31.60 30.50 3hbl h MET 1143CO 0.00 -0.03 -0.65 1.63 0.23 0.00 0.00 176.91 178.09 3hbl n LYS 1144N -2.85 3.01 -4.01 0.39 4.76 -1.26 -5.03 118.16 113.17 3hbl n LYS 1144Ca -0.01 -3.89 -0.13 0.00 -2.87 0.00 0.00 58.31 51.42 3hbl n LYS 1144Cb 0.02 -2.10 -0.13 0.00 -1.84 0.00 0.00 35.03 30.98 3hbl n LYS 1144CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3hbl s MET 1145N -3.51 0.30 -0.25 1.97 1.75 -1.26 -5.13 119.30 113.17 3hbl s MET 1145Ca 0.48 -0.35 -0.03 0.00 -1.25 0.00 0.00 55.69 54.54 3hbl s MET 1145Cb 0.40 -0.14 0.10 0.00 2.84 0.00 0.00 34.83 38.03 3hbl s MET 1145CO 0.01 0.03 0.21 -2.00 -0.65 0.00 0.00 175.02 172.61 3hbl s GLU 1146N -0.71 0.22 -0.45 4.11 2.12 -1.26 -1.44 118.70 121.28 3hbl s GLU 1146Ca -0.05 -0.13 -0.10 0.00 0.36 0.00 0.00 54.97 55.04 3hbl s GLU 1146Cb -0.05 -1.09 0.10 0.00 0.26 0.00 0.00 34.13 33.34 3hbl s GLU 1146CO -0.00 -0.87 0.32 0.95 -0.54 0.00 0.00 175.26 175.12 3hbl s THR 1147N 2.26 4.35 -0.43 -1.70 -4.23 -0.98 -5.04 115.64 109.87 3hbl s THR 1147Ca 0.08 -1.54 -0.25 0.00 -1.18 0.00 0.00 61.69 58.79 3hbl s THR 1147Cb -0.15 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 69.96 3hbl s THR 1147CO -0.25 -0.65 0.92 0.42 -0.54 0.00 0.00 174.62 174.52 3hbl s THR 1148N 1.42 4.51 -0.07 3.99 -4.23 -1.26 -2.81 115.64 117.19 3hbl s THR 1148Ca 0.04 0.86 -0.30 0.00 -1.18 0.00 0.00 61.69 61.12 3hbl s THR 1148Cb -0.25 -4.40 -0.04 0.00 1.34 0.00 0.00 72.50 69.15 3hbl s THR 1148CO 0.01 -0.74 1.42 -0.63 -0.54 0.00 0.00 174.62 174.14 3hbl s ILE 1149N 3.65 3.89 0.13 2.99 1.01 0.68 -4.91 121.20 128.64 3hbl s ILE 1149Ca 0.37 1.16 -0.00 0.00 0.00 0.00 0.00 60.65 62.18 3hbl s ILE 1149Cb -0.11 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.64 3hbl s ILE 1149CO 0.24 -0.06 0.18 0.00 0.00 0.00 0.00 174.94 175.30 3hbl n GLN 1150N 6.26 0.41 -3.80 2.79 6.02 -1.26 0.22 117.38 128.02 3hbl n GLN 1150Ca 0.14 -0.46 -0.37 0.00 -0.01 0.00 0.00 57.00 56.30 3hbl n GLN 1150Cb 0.44 -0.13 -0.13 0.00 1.02 0.00 0.00 30.24 31.44 3hbl n GLN 1150CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hbl s ALA 1151N -2.97 3.01 0.08 -1.58 0.00 -0.24 -4.68 121.76 115.38 3hbl s ALA 1151Ca 0.12 -1.39 0.13 0.00 0.00 0.00 0.00 51.96 50.82 3hbl s ALA 1151Cb -0.01 -2.05 0.20 0.00 0.00 0.00 0.00 23.12 21.27 3hbl s ALA 1151CO 0.08 -0.81 1.50 -1.00 0.00 0.00 0.00 175.76 175.53 3hbl h PRO 1152N 8.20 0.00 0.00 0.00 0.13 -1.91 -0.94 132.00 137.48 3hbl h PRO 1152Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3hbl h PRO 1152Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hbl h PRO 1152CO 0.60 0.63 0.00 1.19 -0.23 0.00 0.00 178.00 180.18 3hbl n PHE 1153N -3.43 0.00 -3.18 1.56 3.01 -1.26 -4.91 117.46 109.25 3hbl n PHE 1153Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 3hbl n PHE 1153Cb 0.71 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.18 3hbl n PHE 1153CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3hbl s ASP 1154N 0.88 -1.59 0.00 4.37 -1.08 -1.26 -3.59 116.67 114.39 3hbl s ASP 1154Ca 0.00 -0.28 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 3hbl s ASP 1154Cb 0.00 2.01 0.00 0.00 -1.46 0.00 0.00 42.92 43.47 3hbl s ASP 1154CO 0.00 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.06 3hbl n GLY 1155N 4.94 2.25 3.48 2.66 0.00 -0.60 -4.99 105.19 112.92 3hbl n GLY 1155Ca 0.08 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 3hbl n GLY 1155CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hbl s VAL 1156N -1.37 3.12 0.17 1.61 1.01 -1.26 -1.15 120.40 122.54 3hbl s VAL 1156Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 3hbl s VAL 1156Cb 0.00 -2.23 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 3hbl s VAL 1156CO 0.00 0.59 1.22 -0.63 0.00 0.00 0.00 175.10 176.28 3hbl s ILE 1157N -0.68 3.57 -0.22 2.22 1.01 -1.16 -4.47 121.20 121.48 3hbl s ILE 1157Ca 0.10 1.29 -0.14 0.00 0.00 0.00 0.00 60.65 61.90 3hbl s ILE 1157Cb -0.11 -3.82 -0.18 0.00 0.01 0.00 0.00 42.46 38.36 3hbl s ILE 1157CO 0.01 0.19 0.04 0.29 0.00 0.00 0.00 174.94 175.47 3hbl n LYS 1158N 2.73 0.62 -3.59 2.79 4.76 -1.16 -4.60 118.16 119.70 3hbl n LYS 1158Ca 0.05 0.39 -0.11 0.00 -2.87 0.00 0.00 58.31 55.78 3hbl n LYS 1158Cb 0.45 -1.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.95 3hbl n LYS 1158CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3hbl s GLN 1159N -2.45 1.17 -0.13 1.97 -2.07 -1.26 -4.94 119.66 111.95 3hbl s GLN 1159Ca -0.31 -0.67 0.03 0.00 -1.82 0.00 0.00 55.36 52.59 3hbl s GLN 1159Cb 0.09 0.51 0.01 0.00 -1.09 0.00 0.00 33.01 32.52 3hbl s GLN 1159CO 0.60 -0.48 -0.22 0.08 -1.32 0.00 0.00 175.29 173.94 3hbl s VAL 1160N -3.80 2.10 -1.76 3.63 1.01 -1.26 -3.96 120.40 116.36 3hbl s VAL 1160Ca 0.03 -0.98 0.15 0.00 0.00 0.00 0.00 61.98 61.19 3hbl s VAL 1160Cb 0.01 -1.83 0.20 0.00 0.00 0.00 0.00 36.38 34.77 3hbl s VAL 1160CO -0.11 0.55 1.09 0.41 0.00 0.00 0.00 175.10 177.04 3hbl n THR 1161N 3.86 0.27 -3.86 3.92 -1.04 -0.11 -4.94 114.28 112.37 3hbl n THR 1161Ca -0.20 -0.64 -0.13 0.00 -2.04 0.00 0.00 64.05 61.04 3hbl n THR 1161Cb 0.52 1.10 -0.15 0.00 -1.82 0.00 0.00 70.33 69.98 3hbl n THR 1161CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3hbl s VAL 1162N -1.21 0.02 0.00 12.58 -7.23 -1.26 -4.95 120.40 118.34 3hbl s VAL 1162Ca 0.22 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 3hbl s VAL 1162Cb 0.14 -0.07 0.00 0.00 0.56 0.00 0.00 36.38 37.01 3hbl s VAL 1162CO 0.20 0.04 0.00 0.59 -0.31 0.00 0.00 175.10 175.62 3hbl n ASN 1163N 3.47 0.00 -4.43 4.85 4.13 -1.26 -4.97 115.26 117.04 3hbl n ASN 1163Ca -0.18 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.70 3hbl n ASN 1163Cb 0.56 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.69 3hbl n ASN 1163CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3hbl s ASN 1164N -1.00 5.52 0.00 6.41 3.04 -1.26 -4.42 114.94 123.22 3hbl s ASN 1164Ca 0.00 -0.55 0.00 0.00 0.04 0.00 0.00 52.86 52.35 3hbl s ASN 1164Cb 0.00 -1.99 0.00 0.00 -1.54 0.00 0.00 41.25 37.72 3hbl s ASN 1164CO 0.00 -0.20 0.00 0.61 -3.04 0.00 0.00 177.10 174.47 3hbl n GLY 1165N 4.97 0.82 3.76 1.21 0.00 -0.83 -5.05 105.19 110.08 3hbl n GLY 1165Ca -0.14 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3hbl n GLY 1165CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hbl s ASP 1166N -2.04 7.30 -0.09 1.61 1.11 -1.26 -4.68 116.67 118.62 3hbl s ASP 1166Ca 0.00 2.10 -0.20 0.00 0.18 0.00 0.00 52.55 54.63 3hbl s ASP 1166Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 3hbl s ASP 1166CO 0.00 -0.11 0.57 0.42 1.18 0.00 0.00 175.17 177.24 3hbl s THR 1167N -1.29 5.11 0.07 -1.27 -4.23 -1.26 -1.47 115.64 111.29 3hbl s THR 1167Ca 0.46 1.17 0.09 0.00 -1.18 0.00 0.00 61.69 62.23 3hbl s THR 1167Cb -0.27 -3.91 -0.03 0.00 1.34 0.00 0.00 72.50 69.62 3hbl s THR 1167CO 0.35 0.31 -0.23 0.27 -0.54 0.00 0.00 174.62 174.78 3hbl s ILE 1168N 0.61 2.48 0.48 2.99 -4.36 -0.05 -5.01 121.20 118.34 3hbl s ILE 1168Ca 0.31 -1.41 0.07 0.00 -0.26 0.00 0.00 60.65 59.36 3hbl s ILE 1168Cb -0.16 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.51 3hbl s ILE 1168CO 0.14 0.27 0.44 0.00 0.24 0.00 0.00 174.94 176.03 3hbl s ALA 1169N -0.94 4.27 -0.05 2.27 0.00 -1.26 -1.84 121.76 124.22 3hbl s ALA 1169Ca 0.14 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.09 3hbl s ALA 1169Cb -0.10 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 3hbl s ALA 1169CO 0.05 -0.39 1.06 0.99 0.00 0.00 0.00 175.76 177.47 3hbl s THR 1170N -2.60 4.62 0.00 0.00 2.01 -1.26 -3.64 115.64 114.77 3hbl s THR 1170Ca 0.45 1.89 0.00 0.00 0.31 0.00 0.00 61.69 64.34 3hbl s THR 1170Cb -0.03 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.26 3hbl s THR 1170CO 0.27 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 3hbl n GLY 1171N 3.11 0.62 3.33 4.40 0.00 -0.16 -4.97 105.19 111.51 3hbl n GLY 1171Ca 0.08 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 3hbl n GLY 1171CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hbl s ASP 1172N -2.59 3.27 0.24 1.61 -0.00 -1.24 -2.90 116.67 115.06 3hbl s ASP 1172Ca 0.00 -0.43 -0.30 0.00 -0.00 0.00 0.00 52.55 51.82 3hbl s ASP 1172Cb 0.00 -0.66 -0.09 0.00 -0.00 0.00 0.00 42.92 42.16 3hbl s ASP 1172CO 0.00 0.29 1.34 -0.22 -0.00 0.00 0.00 175.17 176.58 3hbl s LEU 1173N -0.43 4.42 0.18 1.23 2.96 -1.11 -1.23 118.68 124.69 3hbl s LEU 1173Ca 0.04 2.53 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 3hbl s LEU 1173Cb -0.12 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.95 3hbl s LEU 1173CO 0.01 -0.56 0.00 0.18 -1.32 0.00 0.00 176.35 174.66 3hbl n LEU 1174N 2.13 0.49 -4.10 -0.68 4.77 -0.76 -4.65 117.00 114.19 3hbl n LEU 1174Ca 0.05 0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 56.09 3hbl n LEU 1174Cb 0.42 0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.37 3hbl n LEU 1174CO 0.59 -0.74 -0.47 -0.63 -1.33 0.00 0.00 177.39 174.80 3hbl s ILE 1175N -2.00 1.13 -0.12 -0.08 -1.09 -1.24 -0.93 121.20 116.86 3hbl s ILE 1175Ca 0.00 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 57.82 3hbl s ILE 1175Cb 0.00 -0.96 -0.03 0.00 -1.58 0.00 0.00 42.46 39.90 3hbl s ILE 1175CO 0.00 0.33 -0.07 -1.83 -1.23 0.00 0.00 174.94 172.14 3hbl s GLU 1176N -0.16 3.35 -0.00 2.79 -1.05 -1.25 -0.22 118.70 122.15 3hbl s GLU 1176Ca 0.02 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 3hbl s GLU 1176Cb -0.07 -2.76 0.00 0.00 -0.44 0.00 0.00 34.13 30.86 3hbl s GLU 1176CO 0.00 0.36 -0.00 0.42 0.95 0.00 0.00 175.26 176.99 3hbl s ILE 1177N 0.02 0.05 -2.39 1.83 1.01 -0.88 -2.98 121.20 117.86 3hbl s ILE 1177Ca -0.01 0.01 0.19 0.00 0.00 0.00 0.00 60.65 60.84 3hbl s ILE 1177Cb -0.14 -0.07 0.15 0.00 0.01 0.00 0.00 42.46 42.41 3hbl s ILE 1177CO 0.03 0.03 1.10 -0.62 0.00 0.00 0.00 174.94 175.49