#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3s n ASN 24 N 0.00 -3.58 -4.59 2.55 5.15 -1.26 -4.51 115.26 109.02 1s3s n ASN 24 Ca 0.00 -0.17 -0.49 0.00 -0.60 0.00 0.00 54.58 53.32 1s3s n ASN 24 Cb 0.00 -3.00 -0.04 0.00 -0.53 0.00 0.00 39.78 36.21 1s3s n ASN 24 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1s3s n ARG 25 N -3.39 1.24 -4.15 1.20 1.74 -1.26 -4.74 116.66 107.30 1s3s n ARG 25 Ca -0.05 0.44 -0.22 0.00 -0.77 0.00 0.00 57.85 57.25 1s3s n ARG 25 Cb 0.56 -1.96 -0.06 0.00 -1.02 0.00 0.00 32.46 29.98 1s3s n ARG 25 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1s3s s LEU 26 N 0.60 3.46 -0.14 0.55 1.43 0.29 -4.79 118.68 120.07 1s3s s LEU 26 Ca 0.73 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.18 1s3s s LEU 26 Cb -0.84 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 1s3s s LEU 26 CO 0.52 -0.10 0.30 -0.63 0.23 0.00 0.00 176.35 176.67 1s3s s ILE 27 N -2.27 5.29 0.08 -0.59 -1.09 -0.10 0.88 121.20 123.39 1s3s s ILE 27 Ca 0.34 0.58 -0.30 0.00 -2.23 0.00 0.00 60.65 59.03 1s3s s ILE 27 Cb -0.06 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1s3s s ILE 27 CO 0.23 0.41 1.07 0.68 -1.23 0.00 0.00 174.94 176.09 1s3s s VAL 28 N 0.29 4.33 0.00 2.92 -7.23 -0.01 -0.43 120.40 120.26 1s3s s VAL 28 Ca 0.17 1.79 0.00 0.00 -1.81 0.00 0.00 61.98 62.13 1s3s s VAL 28 Cb -0.13 -4.15 0.00 0.00 0.56 0.00 0.00 36.38 32.66 1s3s s VAL 28 CO 0.05 0.20 0.00 -0.67 -0.31 0.00 0.00 175.10 174.37 1s3s n ASP 29 N 3.35 0.64 -4.78 4.85 2.03 -0.96 -1.33 116.55 120.34 1s3s n ASP 29 Ca 0.05 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.07 1s3s n ASP 29 Cb 0.48 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.99 1s3s n ASP 29 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1s3s s GLU 30 N 1.50 1.85 0.20 -0.67 0.41 -1.26 -3.71 118.70 117.01 1s3s s GLU 30 Ca 0.00 0.66 0.06 0.00 -0.41 0.00 0.00 54.97 55.28 1s3s s GLU 30 Cb 0.00 -1.89 -0.04 0.00 -1.78 0.00 0.00 34.13 30.42 1s3s s GLU 30 CO 0.00 -1.79 0.15 0.00 -0.49 0.00 0.00 175.26 173.13 1s3s s ALA 31 N -3.12 3.55 0.00 5.21 0.00 -1.11 -3.06 121.76 123.24 1s3s s ALA 31 Ca 0.61 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1s3s s ALA 31 Cb -0.15 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1s3s s ALA 31 CO 0.55 0.40 0.00 -0.89 0.00 0.00 0.00 175.76 175.82 1s3s n ILE 32 N -0.66 0.00 -4.33 0.00 2.08 -1.26 -4.99 119.36 110.20 1s3s n ILE 32 Ca -0.08 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.88 1s3s n ILE 32 Cb 0.56 -0.68 -0.10 0.00 -0.75 0.00 0.00 39.64 38.68 1s3s n ILE 32 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1s3s s ASN 33 N -3.28 5.25 0.00 4.38 6.03 -1.26 -4.96 114.94 121.10 1s3s s ASN 33 Ca 0.00 0.12 0.02 0.00 -1.03 0.00 0.00 52.86 51.97 1s3s s ASN 33 Cb 0.00 -1.56 0.11 0.00 -3.03 0.00 0.00 41.25 36.77 1s3s s ASN 33 CO 0.00 0.34 0.90 -1.84 -2.03 0.00 0.00 177.10 174.47 1s3s n GLU 34 N 2.40 0.03 -1.97 3.55 0.28 -1.26 -4.73 120.64 118.94 1s3s n GLU 34 Ca -0.18 0.29 -0.42 0.00 -0.16 0.00 0.00 57.16 56.69 1s3s n GLU 34 Cb 0.53 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.88 1s3s n GLU 34 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1s3s s ASP 35 N -2.62 6.61 -0.09 -1.84 -1.08 -1.26 -4.93 116.67 111.45 1s3s s ASP 35 Ca 0.02 2.68 -0.20 0.00 -0.52 0.00 0.00 52.55 54.53 1s3s s ASP 35 Cb 0.01 -2.62 -0.16 0.00 -1.46 0.00 0.00 42.92 38.69 1s3s s ASP 35 CO 0.04 -0.75 0.71 0.78 0.52 0.00 0.00 175.17 176.46 1s3s h ASN 36 N 5.46 -0.08 -0.23 -0.34 -0.26 -1.97 -3.31 115.58 114.84 1s3s h ASN 36 Ca -0.45 -0.50 0.07 0.00 -0.56 0.00 0.00 56.30 54.86 1s3s h ASN 36 Cb 1.21 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.49 1s3s h ASN 36 CO 0.81 0.59 0.48 0.28 -1.06 0.00 0.00 177.43 178.54 1s3s h SER 37 N -0.91 0.00 -3.38 5.81 0.02 -1.94 -3.43 113.55 109.72 1s3s h SER 37 Ca -0.01 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.40 1s3s h SER 37 Cb 0.58 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1s3s h SER 37 CO 0.02 0.00 -0.13 0.54 -1.14 0.00 0.00 176.83 176.12 1s3s s VAL 38 N -4.32 4.96 0.05 2.27 0.11 -1.25 -0.40 120.40 121.82 1s3s s VAL 38 Ca -0.03 0.36 -0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1s3s s VAL 38 Cb 0.11 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.29 1s3s s VAL 38 CO 0.38 -0.12 -0.03 0.68 -3.33 0.00 0.00 175.10 172.67 1s3s s VAL 39 N -1.87 0.24 0.06 2.04 -7.23 -0.80 -4.58 120.40 108.25 1s3s s VAL 39 Ca 0.46 -1.54 0.05 0.00 -1.81 0.00 0.00 61.98 59.14 1s3s s VAL 39 Cb -0.11 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 1s3s s VAL 39 CO 0.23 -0.83 -0.13 -0.44 -0.31 0.00 0.00 175.10 173.63 1s3s s SER 40 N -2.47 1.53 0.11 4.85 0.01 0.39 -1.82 113.70 116.30 1s3s s SER 40 Ca 0.00 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1s3s s SER 40 Cb 0.02 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 1s3s s SER 40 CO -0.07 -0.07 0.08 0.18 0.41 0.00 0.00 173.24 173.77 1s3s n LEU 41 N 1.44 0.00 -4.80 2.44 4.77 -1.26 -0.89 117.00 118.70 1s3s n LEU 41 Ca -0.21 -1.03 -0.29 0.00 -0.03 0.00 0.00 56.01 54.45 1s3s n LEU 41 Cb 0.54 0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 42.08 1s3s n LEU 41 CO 0.22 -0.17 -0.23 -0.44 -1.33 0.00 0.00 177.39 175.43 1s3s s SER 42 N -1.77 5.62 0.27 -1.43 0.01 -1.26 0.16 113.70 115.31 1s3s s SER 42 Ca 0.12 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.37 1s3s s SER 42 Cb 0.01 -1.52 0.63 0.00 0.21 0.00 0.00 66.02 65.34 1s3s s SER 42 CO 0.08 0.13 1.70 -0.61 0.41 0.00 0.00 173.24 174.96 1s3s h GLN 43 N 2.93 0.39 -0.77 12.44 5.75 -1.95 0.36 115.11 134.27 1s3s h GLN 43 Ca -0.47 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.05 1s3s h GLN 43 Cb 1.18 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.59 1s3s h GLN 43 CO 0.66 0.26 0.51 -1.35 -2.65 0.00 0.00 178.83 176.25 1s3s h PRO 44 N 0.40 0.87 -0.07 -2.39 0.11 -1.94 0.20 132.00 129.19 1s3s h PRO 44 Ca 0.51 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.53 1s3s h PRO 44 Cb 0.91 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 1s3s h PRO 44 CO -0.50 0.58 -0.09 0.87 -0.21 0.00 0.00 178.00 178.65 1s3s h LYS 45 N 0.90 0.18 -0.51 1.05 6.56 -0.66 -3.26 116.57 120.83 1s3s h LYS 45 Ca 0.31 -0.10 -0.10 0.00 -1.06 0.00 0.00 60.65 59.70 1s3s h LYS 45 Cb 0.11 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.76 1s3s h LYS 45 CO -0.10 0.66 -0.07 0.52 -2.06 0.00 0.00 179.45 178.40 1s3s h MET 46 N -0.28 0.90 -0.59 3.15 2.86 -0.63 -3.14 114.93 117.20 1s3s h MET 46 Ca 0.01 -0.30 0.12 0.00 -2.06 0.00 0.00 59.70 57.47 1s3s h MET 46 Cb 0.64 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1s3s h MET 46 CO 0.02 0.94 0.40 -0.44 1.06 0.00 0.00 176.91 178.89 1s3s h ASP 47 N 0.82 0.26 1.17 1.22 3.32 -0.66 -2.37 116.42 120.17 1s3s h ASP 47 Ca 0.14 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1s3s h ASP 47 Cb 0.58 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1s3s h ASP 47 CO 0.04 0.15 0.00 -0.33 -1.72 0.00 0.00 179.24 177.37 1s3s h GLU 48 N 0.28 0.00 0.00 3.56 5.08 -1.60 -3.22 114.58 118.68 1s3s h GLU 48 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1s3s h GLU 48 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1s3s h GLU 48 CO -0.06 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.23 1s3s n LEU 49 N -2.39 1.61 -0.62 1.33 4.77 -0.92 -4.98 117.00 115.80 1s3s n LEU 49 Ca 0.04 -1.61 -0.08 0.00 -0.03 0.00 0.00 56.01 54.32 1s3s n LEU 49 Cb 0.34 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1s3s n LEU 49 CO 0.26 0.40 -0.08 1.67 -1.33 0.00 0.00 177.39 178.32 1s3s n GLN 50 N -0.35 -1.08 -2.24 3.23 -0.06 -1.03 -4.95 117.38 110.89 1s3s n GLN 50 Ca 0.00 0.71 -0.42 0.00 -2.00 0.00 0.00 57.00 55.29 1s3s n GLN 50 Cb 0.22 -4.74 -0.03 0.00 -4.06 0.00 0.00 30.24 21.63 1s3s n GLN 50 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1s3s s LEU 51 N -1.83 4.28 0.05 1.69 1.43 -1.06 -4.98 118.68 118.26 1s3s s LEU 51 Ca 0.00 2.02 -0.02 0.00 -1.03 0.00 0.00 54.13 55.10 1s3s s LEU 51 Cb 0.00 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1s3s s LEU 51 CO 0.00 -0.76 0.24 -0.36 0.23 0.00 0.00 176.35 175.69 1s3s s PHE 52 N 2.99 3.53 0.00 0.29 2.99 -1.26 -4.53 117.98 121.99 1s3s s PHE 52 Ca 0.63 0.36 0.00 0.00 0.00 0.00 0.00 56.93 57.92 1s3s s PHE 52 Cb -0.29 -1.84 0.00 0.00 0.00 0.00 0.00 43.02 40.89 1s3s s PHE 52 CO 0.24 0.58 0.00 0.54 -0.00 0.00 0.00 175.22 176.58 1s3s n ARG 53 N 0.51 0.00 0.00 0.44 5.12 -1.26 -0.39 116.66 121.07 1s3s n ARG 53 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1s3s n ARG 53 Cb 0.52 -0.60 0.00 0.00 -1.16 0.00 0.00 32.46 31.22 1s3s n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s3s n GLY 54 N 1.64 0.00 3.58 -0.13 0.00 -1.01 -4.92 105.19 104.35 1s3s n GLY 54 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 1s3s n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s3s n ASP 55 N 0.00 1.36 -3.51 1.61 8.00 0.47 -4.45 116.55 120.03 1s3s n ASP 55 Ca 0.00 1.15 -0.40 0.00 0.71 0.00 0.00 54.79 56.25 1s3s n ASP 55 Cb 0.00 -1.24 -0.01 0.00 -0.02 0.00 0.00 41.12 39.85 1s3s n ASP 55 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1s3s n THR 56 N 1.22 4.20 -1.65 -3.53 -2.24 -1.26 -1.32 114.28 109.70 1s3s n THR 56 Ca 0.14 -3.14 -0.38 0.00 -2.27 0.00 0.00 64.05 58.40 1s3s n THR 56 Cb 0.27 -2.51 0.05 0.00 -2.10 0.00 0.00 70.33 66.04 1s3s n THR 56 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1s3s n VAL 57 N 3.73 3.97 -4.02 2.28 0.24 -0.75 -3.51 118.33 120.28 1s3s n VAL 57 Ca 0.65 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 62.13 1s3s n VAL 57 Cb 0.29 -1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 31.34 1s3s n VAL 57 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1s3s s LEU 58 N -2.61 4.03 -0.08 1.34 1.98 0.37 -1.32 118.68 122.39 1s3s s LEU 58 Ca 0.77 0.15 -0.01 0.00 -2.89 0.00 0.00 54.13 52.15 1s3s s LEU 58 Cb -0.41 -2.54 0.03 0.00 0.66 0.00 0.00 46.19 43.92 1s3s s LEU 58 CO 0.46 0.21 -0.01 -0.76 -1.89 0.00 0.00 176.35 174.36 1s3s s LEU 59 N -2.15 0.72 0.16 -0.68 1.43 -0.42 -0.89 118.68 116.84 1s3s s LEU 59 Ca 0.28 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1s3s s LEU 59 Cb -0.12 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 1s3s s LEU 59 CO 0.20 -0.19 0.06 -0.75 0.23 0.00 0.00 176.35 175.91 1s3s s LYS 60 N 1.92 2.65 0.00 1.70 2.20 -1.21 -1.31 119.74 125.69 1s3s s LYS 60 Ca 0.05 -0.97 0.00 0.00 -0.36 0.00 0.00 55.97 54.69 1s3s s LYS 60 Cb -0.13 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 1s3s s LYS 60 CO -0.06 0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.82 1s3s n GLY 61 N -0.14 3.28 3.55 5.54 0.00 0.07 -3.70 105.19 113.78 1s3s n GLY 61 Ca -0.09 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1s3s n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s3s n LYS 62 N 0.00 0.79 -0.09 1.61 4.76 -1.21 -4.18 118.16 119.84 1s3s n LYS 62 Ca 0.00 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 1s3s n LYS 62 Cb 0.00 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 1s3s n LYS 62 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1s3s n LYS 63 N -0.35 0.00 -4.10 1.97 2.85 -1.26 -1.44 118.16 115.83 1s3s n LYS 63 Ca 0.12 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.10 1s3s n LYS 63 Cb 0.46 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.79 1s3s n LYS 63 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1s3s n ARG 64 N 0.41 -2.50 -4.46 -1.58 3.00 -1.26 -4.97 116.66 105.29 1s3s n ARG 64 Ca 0.00 0.30 -0.22 0.00 -0.01 0.00 0.00 57.85 57.92 1s3s n ARG 64 Cb 0.00 -4.28 -0.16 0.00 0.00 0.00 0.00 32.46 28.02 1s3s n ARG 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1s3s s ARG 65 N -6.85 1.15 0.35 5.56 1.81 -0.52 -5.08 118.95 115.37 1s3s s ARG 65 Ca 0.08 -0.35 0.06 0.00 -1.72 0.00 0.00 55.73 53.80 1s3s s ARG 65 Cb -0.04 -1.04 -0.03 0.00 -0.45 0.00 0.00 34.95 33.39 1s3s s ARG 65 CO 0.93 0.11 0.24 -1.83 -0.68 0.00 0.00 175.30 174.08 1s3s s GLU 66 N 0.26 1.81 0.00 3.54 -1.05 -1.26 -0.76 118.70 121.25 1s3s s GLU 66 Ca -0.05 -2.07 0.00 0.00 -0.15 0.00 0.00 54.97 52.70 1s3s s GLU 66 Cb -0.10 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.69 1s3s s GLU 66 CO 0.01 -0.62 0.00 0.00 0.95 0.00 0.00 175.26 175.60 1s3s n ALA 67 N -0.70 0.00 -2.69 -0.84 0.00 -0.42 -4.72 120.51 111.13 1s3s n ALA 67 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 1s3s n ALA 67 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 1s3s n ALA 67 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s3s s VAL 68 N 0.00 5.25 -0.02 0.00 1.01 -1.26 -1.30 120.40 124.07 1s3s s VAL 68 Ca 0.00 0.64 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 1s3s s VAL 68 Cb 0.00 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1s3s s VAL 68 CO 0.00 0.43 0.23 0.00 0.00 0.00 0.00 175.10 175.77 1s3s s ILE 70 N -1.06 4.30 -0.31 0.00 -1.09 0.47 -1.80 121.20 121.70 1s3s s ILE 70 Ca -0.11 1.60 -0.12 0.00 -2.23 0.00 0.00 60.65 59.79 1s3s s ILE 70 Cb -0.05 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 1s3s s ILE 70 CO 0.02 -0.06 0.23 0.54 -1.23 0.00 0.00 174.94 174.45 1s3s s VAL 71 N 2.69 5.29 0.00 2.92 0.11 -0.44 -1.91 120.40 129.06 1s3s s VAL 71 Ca 0.55 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 1s3s s VAL 71 Cb -0.23 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 1s3s s VAL 71 CO 0.19 0.11 0.00 0.18 -3.33 0.00 0.00 175.10 172.24 1s3s n LEU 72 N 5.11 0.00 -3.68 2.54 4.77 -0.76 -2.40 117.00 122.59 1s3s n LEU 72 Ca -0.13 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 1s3s n LEU 72 Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1s3s n LEU 72 CO 0.35 0.00 0.18 -0.55 -1.33 0.00 0.00 177.39 176.05 1s3s s SER 73 N -1.00 -0.41 0.11 -1.43 0.15 -1.26 -4.09 113.70 105.76 1s3s s SER 73 Ca 0.00 0.52 0.05 0.00 0.70 0.00 0.00 55.95 57.21 1s3s s SER 73 Cb 0.00 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 1s3s s SER 73 CO 0.00 -0.42 -0.12 -0.62 1.20 0.00 0.00 173.24 173.29 1s3s s ASP 74 N -0.85 1.69 -0.15 5.45 -1.08 0.42 -4.84 116.67 117.32 1s3s s ASP 74 Ca -0.09 -0.82 0.05 0.00 -0.52 0.00 0.00 52.55 51.16 1s3s s ASP 74 Cb -0.03 -0.02 -0.23 0.00 -1.46 0.00 0.00 42.92 41.17 1s3s s ASP 74 CO 0.05 -0.22 0.24 0.47 0.52 0.00 0.00 175.17 176.23 1s3s n ASP 75 N 0.51 1.39 -0.01 -0.34 8.00 -1.26 -4.05 116.55 120.78 1s3s n ASP 75 Ca -0.15 0.14 0.15 0.00 0.71 0.00 0.00 54.79 55.64 1s3s n ASP 75 Cb 0.58 -0.21 0.82 0.00 -0.02 0.00 0.00 41.12 42.29 1s3s n ASP 75 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1s3s n THR 76 N -3.19 0.00 -2.87 -3.53 -1.04 -1.26 -4.82 114.28 97.57 1s3s n THR 76 Ca -0.32 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.35 1s3s n THR 76 Cb 1.06 -0.46 -0.07 0.00 -1.82 0.00 0.00 70.33 69.04 1s3s n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s3s s SER 78 N -2.16 6.84 0.62 0.00 0.01 -1.26 -4.73 113.70 113.02 1s3s s SER 78 Ca 0.60 1.00 0.22 0.00 1.31 0.00 0.00 55.95 59.08 1s3s s SER 78 Cb -0.10 -2.26 1.00 0.00 0.21 0.00 0.00 66.02 64.86 1s3s s SER 78 CO 0.14 0.31 1.49 0.44 0.41 0.00 0.00 173.24 176.04 1s3s h ASP 79 N 4.74 0.00 0.00 2.44 3.45 -1.96 0.29 116.42 125.39 1s3s h ASP 79 Ca -0.51 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.95 1s3s h ASP 79 Cb 1.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1s3s h ASP 79 CO 0.62 0.00 -1.26 1.21 -1.57 0.00 0.00 179.24 178.24 1s3s n GLU 80 N -3.16 0.17 -4.02 3.56 4.07 -1.26 -4.72 120.64 115.28 1s3s n GLU 80 Ca 0.11 -0.05 -0.31 0.00 -0.06 0.00 0.00 57.16 56.85 1s3s n GLU 80 Cb 1.02 -1.51 -0.06 0.00 -0.06 0.00 0.00 31.44 30.83 1s3s n GLU 80 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1s3s s LYS 81 N -3.14 3.02 -0.27 5.31 1.02 0.10 -0.93 119.74 124.85 1s3s s LYS 81 Ca 0.04 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.43 1s3s s LYS 81 Cb 0.15 -2.81 0.07 0.00 -0.52 0.00 0.00 37.83 34.73 1s3s s LYS 81 CO 0.88 0.58 -0.05 -1.50 -0.92 0.00 0.00 175.35 174.34 1s3s s ILE 82 N -1.40 1.91 -0.48 2.17 2.07 0.43 -4.51 121.20 121.40 1s3s s ILE 82 Ca 0.30 -1.63 -0.28 0.00 -1.41 0.00 0.00 60.65 57.63 1s3s s ILE 82 Cb -0.12 -2.17 -0.01 0.00 0.13 0.00 0.00 42.46 40.28 1s3s s ILE 82 CO 0.23 -0.20 1.76 -0.13 -1.91 0.00 0.00 174.94 174.68 1s3s s ARG 83 N 1.18 3.05 0.36 3.50 0.52 -0.07 -2.27 118.95 125.23 1s3s s ARG 83 Ca -0.03 0.96 0.03 0.00 -0.52 0.00 0.00 55.73 56.17 1s3s s ARG 83 Cb -0.19 -4.26 -0.04 0.00 0.52 0.00 0.00 34.95 30.98 1s3s s ARG 83 CO -0.07 -2.21 0.10 0.00 0.02 0.00 0.00 175.30 173.14 1s3s s MET 84 N 6.17 1.76 0.37 3.54 0.23 -1.17 -0.46 119.30 129.74 1s3s s MET 84 Ca 0.71 -2.03 0.08 0.00 -1.03 0.00 0.00 55.69 53.41 1s3s s MET 84 Cb -0.16 -0.67 -0.02 0.00 -1.53 0.00 0.00 34.83 32.45 1s3s s MET 84 CO 0.27 -0.35 0.36 -0.80 -2.03 0.00 0.00 175.02 172.48 1s3s s ASN 85 N -3.53 5.28 0.58 -1.18 0.01 -1.26 -2.74 114.94 112.10 1s3s s ASN 85 Ca 0.30 -0.56 0.28 0.00 -0.71 0.00 0.00 52.86 52.17 1s3s s ASN 85 Cb 0.06 -0.82 1.54 0.00 0.41 0.00 0.00 41.25 42.43 1s3s s ASN 85 CO 0.15 -0.50 2.02 0.03 -1.51 0.00 0.00 177.10 177.28 1s3s h ARG 86 N 1.10 0.00 0.15 -0.60 3.08 -1.98 -1.86 114.38 114.27 1s3s h ARG 86 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 1s3s h ARG 86 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1s3s h ARG 86 CO 0.57 0.00 -0.07 0.28 -1.07 0.00 0.00 179.97 179.67 1s3s h VAL 87 N 0.00 0.90 0.30 2.04 2.07 -1.94 -1.12 116.25 118.50 1s3s h VAL 87 Ca 0.16 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1s3s h VAL 87 Cb 0.80 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1s3s h VAL 87 CO -0.00 0.05 -0.15 0.58 0.02 0.00 0.00 177.57 178.07 1s3s h VAL 88 N -0.29 0.00 -0.49 2.57 2.07 -1.65 -3.00 116.25 115.46 1s3s h VAL 88 Ca -0.02 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1s3s h VAL 88 Cb 0.23 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.92 1s3s h VAL 88 CO 0.03 0.00 -0.21 -1.14 0.02 0.00 0.00 177.57 176.27 1s3s n ARG 89 N -3.24 -0.13 -0.04 1.57 0.63 -0.80 0.43 116.66 115.08 1s3s n ARG 89 Ca -0.05 0.75 -0.10 0.00 -0.92 0.00 0.00 57.85 57.53 1s3s n ARG 89 Cb 0.16 -1.11 -0.04 0.00 0.45 0.00 0.00 32.46 31.92 1s3s n ARG 89 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1s3s h ASN 90 N 0.00 0.18 -0.35 6.15 -0.26 -1.23 0.48 115.58 120.56 1s3s h ASN 90 Ca 0.15 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1s3s h ASN 90 Cb 0.28 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 1s3s h ASN 90 CO -0.48 0.13 0.22 0.78 -1.06 0.00 0.00 177.43 177.02 1s3s h ASN 91 N 0.23 0.41 0.21 5.81 -0.26 0.13 0.59 115.58 122.70 1s3s h ASN 91 Ca 0.07 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1s3s h ASN 91 Cb -0.01 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1s3s h ASN 91 CO -0.03 0.31 -0.02 0.18 -1.06 0.00 0.00 177.43 176.82 1s3s n LEU 92 N -4.47 0.18 -3.88 1.61 4.77 0.66 -4.55 117.00 111.31 1s3s n LEU 92 Ca 0.02 0.04 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 1s3s n LEU 92 Cb 0.07 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1s3s n LEU 92 CO 0.35 0.03 -0.18 0.54 -1.33 0.00 0.00 177.39 176.81 1s3s n ARG 93 N -0.99 -2.07 -3.82 3.23 5.12 0.21 -3.35 116.66 114.98 1s3s n ARG 93 Ca 0.20 0.37 -0.11 0.00 -1.93 0.00 0.00 57.85 56.37 1s3s n ARG 93 Cb 0.19 -4.10 -0.09 0.00 -1.16 0.00 0.00 32.46 27.30 1s3s n ARG 93 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1s3s s VAL 94 N -3.75 0.09 0.38 1.55 -7.23 -0.53 -4.57 120.40 106.33 1s3s s VAL 94 Ca 0.23 -0.71 0.07 0.00 -1.81 0.00 0.00 61.98 59.77 1s3s s VAL 94 Cb -0.09 -0.69 -0.01 0.00 0.56 0.00 0.00 36.38 36.15 1s3s s VAL 94 CO 0.89 -0.39 0.47 -0.13 -0.31 0.00 0.00 175.10 175.64 1s3s s ARG 95 N -1.88 2.88 0.02 4.82 1.81 -1.26 -4.49 118.95 120.85 1s3s s ARG 95 Ca -0.10 -1.21 -0.30 0.00 -1.72 0.00 0.00 55.73 52.40 1s3s s ARG 95 Cb -0.04 -2.70 -0.08 0.00 -0.45 0.00 0.00 34.95 31.68 1s3s s ARG 95 CO 0.00 -0.10 1.96 -0.51 -0.68 0.00 0.00 175.30 175.97 1s3s s LEU 96 N -4.21 4.38 0.00 2.53 1.43 -1.26 -2.55 118.68 118.99 1s3s s LEU 96 Ca 0.49 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 56.19 1s3s s LEU 96 Cb -0.08 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1s3s s LEU 96 CO 0.31 -1.09 0.00 0.61 0.23 0.00 0.00 176.35 176.41 1s3s n GLY 97 N 4.57 1.84 3.48 -3.19 0.00 -0.44 -5.00 105.19 106.45 1s3s n GLY 97 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1s3s n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s3s n ASP 98 N 0.00 -1.53 -4.41 1.61 10.43 -1.06 -4.61 116.55 116.99 1s3s n ASP 98 Ca 0.00 -1.23 -0.29 0.00 2.57 0.00 0.00 54.79 55.84 1s3s n ASP 98 Cb 0.00 -0.98 -0.13 0.00 1.84 0.00 0.00 41.12 41.86 1s3s n ASP 98 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1s3s s VAL 99 N -3.14 2.37 0.03 2.53 0.11 -1.25 -0.83 120.40 120.21 1s3s s VAL 99 Ca 0.70 -1.68 -0.02 0.00 -2.93 0.00 0.00 61.98 58.04 1s3s s VAL 99 Cb -0.06 -2.05 -0.02 0.00 -1.53 0.00 0.00 36.38 32.73 1s3s s VAL 99 CO 0.52 0.11 0.02 -0.51 -3.33 0.00 0.00 175.10 171.91 1s3s s ILE 100 N -1.06 0.15 -0.52 7.04 -1.16 0.25 -4.91 121.20 121.00 1s3s s ILE 100 Ca 0.15 -1.24 -0.14 0.00 -0.51 0.00 0.00 60.65 58.91 1s3s s ILE 100 Cb -0.10 -0.86 0.13 0.00 0.61 0.00 0.00 42.46 42.24 1s3s s ILE 100 CO 0.06 -0.68 0.45 -0.94 -2.81 0.00 0.00 174.94 171.02 1s3s s SER 101 N -2.13 6.04 -0.74 4.50 1.04 -1.24 0.11 113.70 121.27 1s3s s SER 101 Ca -0.05 -1.83 -0.25 0.00 0.48 0.00 0.00 55.95 54.29 1s3s s SER 101 Cb -0.02 -2.15 0.05 0.00 0.10 0.00 0.00 66.02 64.00 1s3s s SER 101 CO -0.05 -0.81 1.20 -0.51 0.98 0.00 0.00 173.24 174.05 1s3s s ILE 102 N 1.52 3.94 -0.15 -1.02 2.07 -1.26 -3.31 121.20 122.97 1s3s s ILE 102 Ca 0.04 0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1s3s s ILE 102 Cb -0.29 -4.86 -0.03 0.00 0.13 0.00 0.00 42.46 37.41 1s3s s ILE 102 CO 0.02 -1.74 -0.01 -1.58 -1.91 0.00 0.00 174.94 169.71 1s3s s GLN 103 N 5.11 3.68 0.24 3.50 0.74 -0.07 -4.92 119.66 127.93 1s3s s GLN 103 Ca 0.32 -0.47 -0.31 0.00 0.05 0.00 0.00 55.36 54.94 1s3s s GLN 103 Cb -0.10 -2.96 -0.12 0.00 1.10 0.00 0.00 33.01 30.93 1s3s s GLN 103 CO 0.11 0.29 1.68 -2.14 -0.55 0.00 0.00 175.29 174.68 1s3s s PRO 104 N 0.25 4.12 -0.62 1.67 0.02 -1.26 0.14 135.00 139.33 1s3s s PRO 104 Ca -0.01 2.60 -0.07 0.00 0.02 0.00 0.00 61.00 63.54 1s3s s PRO 104 Cb -0.14 -3.06 0.16 0.00 0.02 0.00 0.00 34.50 31.49 1s3s s PRO 104 CO 0.02 -0.72 0.47 0.00 -0.33 0.00 0.00 177.00 176.45 1s3s h PRO 106 N 7.60 0.41 0.00 0.00 0.13 -1.93 -3.33 132.00 134.89 1s3s h PRO 106 Ca -0.04 -0.37 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 1s3s h PRO 106 Cb 1.01 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1s3s h PRO 106 CO 0.76 1.02 -0.02 0.22 -0.23 0.00 0.00 178.00 179.74 1s3s h ASP 107 N 0.27 0.00 -0.95 1.44 1.82 -1.97 -3.44 116.42 113.58 1s3s h ASP 107 Ca -0.04 0.00 -0.60 0.00 -0.39 0.00 0.00 57.03 55.99 1s3s h ASP 107 Cb 1.39 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.37 1s3s h ASP 107 CO 0.14 0.02 1.52 0.52 -1.61 0.00 0.00 179.24 179.83 1s3s n VAL 108 N -3.19 0.09 -5.14 2.25 0.31 -1.25 -4.93 118.33 106.48 1s3s n VAL 108 Ca -0.01 -0.31 -0.31 0.00 -0.01 0.00 0.00 64.34 63.70 1s3s n VAL 108 Cb 0.21 -1.62 -0.15 0.00 -0.91 0.00 0.00 33.84 31.37 1s3s n VAL 108 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1s3s s LYS 109 N 7.11 2.18 0.30 5.55 -2.85 -1.26 -4.86 119.74 125.91 1s3s s LYS 109 Ca 1.12 -0.89 -0.13 0.00 -1.00 0.00 0.00 55.97 55.08 1s3s s LYS 109 Cb -0.82 -2.13 -0.10 0.00 -2.06 0.00 0.00 37.83 32.72 1s3s s LYS 109 CO 0.45 0.57 -0.02 0.66 0.10 0.00 0.00 175.35 177.11 1s3s n TYR 110 N 2.30 -1.67 -4.01 1.78 4.02 -1.26 -3.70 117.16 114.63 1s3s n TYR 110 Ca -0.16 0.34 -0.22 0.00 -0.01 0.00 0.00 57.90 57.85 1s3s n TYR 110 Cb 0.51 -1.12 -0.03 0.00 -0.02 0.00 0.00 39.34 38.68 1s3s n TYR 110 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1s3s s GLY 111 N -0.65 1.32 -0.24 2.72 0.00 -0.93 -4.58 107.32 104.95 1s3s s GLY 111 Ca 0.38 -1.26 -0.04 0.00 0.00 0.00 0.00 44.72 43.80 1s3s s GLY 111 CO 0.42 -1.29 -0.25 0.28 0.00 0.00 0.00 173.10 172.26 1s3s n LYS 112 N -1.25 0.57 -3.84 2.90 5.02 0.17 -3.65 118.16 118.07 1s3s n LYS 112 Ca -0.09 0.17 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1s3s n LYS 112 Cb 0.57 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 34.06 1s3s n LYS 112 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1s3s s ARG 113 N -2.47 0.84 -0.15 1.97 0.52 -0.81 1.00 118.95 119.84 1s3s s ARG 113 Ca -0.33 -0.90 -0.18 0.00 -0.52 0.00 0.00 55.73 53.80 1s3s s ARG 113 Cb 0.10 0.34 0.05 0.00 0.52 0.00 0.00 34.95 35.96 1s3s s ARG 113 CO 0.51 -0.27 0.49 0.96 0.02 0.00 0.00 175.30 177.01 1s3s s ILE 114 N -3.68 0.01 -0.18 1.52 -4.36 -0.59 -1.49 121.20 112.43 1s3s s ILE 114 Ca 0.03 -0.06 0.01 0.00 -0.26 0.00 0.00 60.65 60.37 1s3s s ILE 114 Cb 0.04 -0.71 0.02 0.00 1.25 0.00 0.00 42.46 43.06 1s3s s ILE 114 CO -0.10 -0.03 -0.18 -1.00 0.24 0.00 0.00 174.94 173.87 1s3s s HIS 115 N -0.06 2.62 0.08 1.37 3.76 0.52 -0.66 115.29 122.92 1s3s s HIS 115 Ca -0.03 -1.56 0.05 0.00 -0.15 0.00 0.00 55.06 53.38 1s3s s HIS 115 Cb -0.03 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.80 1s3s s HIS 115 CO 0.02 -0.77 -0.15 0.14 -0.85 0.00 0.00 174.74 173.13 1s3s s VAL 116 N 1.34 1.19 -0.02 -0.90 -7.23 -0.99 -1.12 120.40 112.67 1s3s s VAL 116 Ca 0.04 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 1s3s s VAL 116 Cb -0.13 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.61 1s3s s VAL 116 CO -0.12 -0.26 -0.08 -0.76 -0.31 0.00 0.00 175.10 173.57 1s3s s LEU 117 N -1.90 1.85 0.37 1.32 2.01 -0.81 -4.29 118.68 117.23 1s3s s LEU 117 Ca 0.01 -0.16 -0.27 0.00 0.01 0.00 0.00 54.13 53.71 1s3s s LEU 117 Cb -0.09 -0.48 -0.09 0.00 0.01 0.00 0.00 46.19 45.54 1s3s s LEU 117 CO 0.02 0.07 1.26 -2.16 1.01 0.00 0.00 176.35 176.56 1s3s s PRO 118 N 0.08 4.18 -0.35 1.29 0.04 -1.26 -1.74 135.00 137.24 1s3s s PRO 118 Ca -0.01 2.09 -0.23 0.00 0.04 0.00 0.00 61.00 62.89 1s3s s PRO 118 Cb -0.07 -2.89 0.01 0.00 0.04 0.00 0.00 34.50 31.59 1s3s s PRO 118 CO 0.00 -0.29 0.75 0.42 0.04 0.00 0.00 177.00 177.93 1s3s s ILE 119 N -1.24 4.77 0.00 0.56 1.01 -0.65 -2.25 121.20 123.41 1s3s s ILE 119 Ca 0.53 0.88 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1s3s s ILE 119 Cb -0.37 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 37.93 1s3s s ILE 119 CO 0.48 -0.38 0.00 -0.90 0.00 0.00 0.00 174.94 174.14 1s3s n ASP 120 N 6.31 0.00 0.22 3.58 5.68 -0.62 0.54 116.55 132.26 1s3s n ASP 120 Ca 0.02 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.40 1s3s n ASP 120 Cb 0.48 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.93 1s3s n ASP 120 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1s3s h ASP 121 N 0.00 0.00 -0.02 -1.12 3.04 -1.94 0.30 116.42 116.68 1s3s h ASP 121 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1s3s h ASP 121 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1s3s h ASP 121 CO 0.00 0.00 -0.10 0.35 -2.04 0.00 0.00 179.24 177.45 1s3s n THR 122 N -2.30 0.00 0.00 1.15 -2.24 0.19 -4.48 114.28 106.59 1s3s n THR 122 Ca -0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1s3s n THR 122 Cb 0.37 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 1s3s n THR 122 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1s3s n VAL 123 N 0.87 0.00 -1.56 2.28 0.31 0.86 -4.49 118.33 116.60 1s3s n VAL 123 Ca 0.11 0.00 -0.56 0.00 -0.01 0.00 0.00 64.34 63.88 1s3s n VAL 123 Cb 0.50 -0.23 -0.08 0.00 -0.91 0.00 0.00 33.84 33.12 1s3s n VAL 123 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1s3s n GLU 124 N -1.67 0.96 0.00 5.55 0.28 -0.06 -0.52 120.64 125.18 1s3s n GLU 124 Ca 0.00 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 1s3s n GLU 124 Cb 0.23 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 30.97 1s3s n GLU 124 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1s3s n GLY 125 N 5.44 3.79 3.86 -1.84 0.00 -1.26 -5.03 105.19 110.15 1s3s n GLY 125 Ca 0.35 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1s3s n GLY 125 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s3s s ILE 126 N 0.00 5.12 0.36 -0.61 -4.36 0.32 -3.18 121.20 118.85 1s3s s ILE 126 Ca 0.00 0.49 0.05 0.00 -0.26 0.00 0.00 60.65 60.93 1s3s s ILE 126 Cb 0.00 -3.64 -0.07 0.00 1.25 0.00 0.00 42.46 40.00 1s3s s ILE 126 CO 0.00 0.38 0.04 0.28 0.24 0.00 0.00 174.94 175.88 1s3s s THR 127 N -1.30 1.44 0.00 8.37 -1.32 0.03 -4.82 115.64 118.04 1s3s s THR 127 Ca 0.29 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 1s3s s THR 127 Cb -0.14 -2.84 0.00 0.00 -1.51 0.00 0.00 72.50 68.00 1s3s s THR 127 CO 0.16 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 1s3s n GLY 128 N -0.80 -3.96 3.64 6.08 0.00 -1.26 0.16 105.19 109.06 1s3s n GLY 128 Ca -0.03 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 1s3s n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s3s s ASN 129 N -0.59 6.91 0.08 1.61 3.04 -1.26 -4.88 114.94 119.84 1s3s s ASN 129 Ca 0.00 1.25 -0.17 0.00 0.04 0.00 0.00 52.86 53.98 1s3s s ASN 129 Cb 0.00 -2.54 -0.11 0.00 -1.54 0.00 0.00 41.25 37.06 1s3s s ASN 129 CO 0.00 -0.86 1.38 -0.07 -3.04 0.00 0.00 177.10 174.51 1s3s h LEU 130 N 10.08 0.62 -0.68 3.21 3.38 -1.99 -3.25 115.31 126.68 1s3s h LEU 130 Ca -0.22 -0.48 0.12 0.00 0.09 0.00 0.00 57.88 57.39 1s3s h LEU 130 Cb 1.07 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.52 1s3s h LEU 130 CO 1.01 0.98 -0.30 0.15 0.09 0.00 0.00 178.44 180.38 1s3s h PHE 131 N 0.28 -0.79 -0.97 1.13 3.57 -1.95 0.76 116.94 118.96 1s3s h PHE 131 Ca 0.03 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1s3s h PHE 131 Cb 0.81 0.45 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 1s3s h PHE 131 CO 0.08 -0.37 0.64 0.93 -2.23 0.00 0.00 178.31 177.36 1s3s h GLU 132 N -0.10 1.27 0.11 1.11 5.08 -1.98 0.34 114.58 120.41 1s3s h GLU 132 Ca 0.28 -0.08 -0.33 0.00 -1.00 0.00 0.00 59.36 58.24 1s3s h GLU 132 Cb 0.56 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1s3s h GLU 132 CO -0.74 0.84 -1.76 0.28 -1.00 0.00 0.00 179.01 176.63 1s3s h VAL 133 N 1.31 0.88 0.00 3.13 2.07 -1.14 -3.42 116.25 119.08 1s3s h VAL 133 Ca 0.36 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1s3s h VAL 133 Cb -0.14 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1s3s h VAL 133 CO -0.08 0.79 -0.29 -1.22 0.02 0.00 0.00 177.57 176.80 1s3s n TYR 134 N -3.41 0.00 -0.13 1.57 4.01 0.25 -4.69 117.16 114.76 1s3s n TYR 134 Ca -0.23 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.47 1s3s n TYR 134 Cb 1.05 -0.14 0.04 0.00 -0.31 0.00 0.00 39.34 39.98 1s3s n TYR 134 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1s3s h LEU 135 N -0.29 -0.05 0.28 7.72 -0.00 -1.60 -2.57 115.31 118.82 1s3s h LEU 135 Ca 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1s3s h LEU 135 Cb 0.29 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1s3s h LEU 135 CO 0.00 0.01 -0.24 0.50 -0.00 0.00 0.00 178.44 178.71 1s3s h LYS 136 N 0.18 -0.49 0.00 1.13 3.64 -1.19 -2.05 116.57 117.79 1s3s h LYS 136 Ca 0.21 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1s3s h LYS 136 Cb 0.28 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1s3s h LYS 136 CO -0.30 -0.33 0.04 -1.35 -2.27 0.00 0.00 179.45 175.24 1s3s h PRO 137 N -0.51 0.00 0.14 1.90 0.11 -1.81 0.84 132.00 132.66 1s3s h PRO 137 Ca -0.04 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.77 1s3s h PRO 137 Cb 0.43 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.57 1s3s h PRO 137 CO -0.01 0.00 -1.28 -0.92 -0.21 0.00 0.00 178.00 175.59 1s3s h TYR 138 N 0.00 0.99 0.00 0.65 3.20 -1.07 -3.37 116.97 117.37 1s3s h TYR 138 Ca 0.00 -0.63 -0.26 0.00 3.14 0.00 0.00 58.73 60.98 1s3s h TYR 138 Cb 0.07 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1s3s h TYR 138 CO 0.00 1.48 -2.12 1.19 -1.64 0.00 0.00 178.16 177.07 1s3s n PHE 139 N -3.77 0.22 -1.14 -3.82 3.72 -0.81 -4.83 117.46 107.03 1s3s n PHE 139 Ca -0.14 0.07 -0.47 0.00 -0.05 0.00 0.00 57.45 56.87 1s3s n PHE 139 Cb 1.00 -0.92 -0.08 0.00 -0.94 0.00 0.00 39.48 38.54 1s3s n PHE 139 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1s3s n LEU 140 N -2.69 0.76 -4.21 4.37 7.94 0.25 -0.58 117.00 122.84 1s3s n LEU 140 Ca -0.22 0.74 -0.36 0.00 -1.11 0.00 0.00 56.01 55.05 1s3s n LEU 140 Cb 0.99 -0.64 -0.08 0.00 0.53 0.00 0.00 43.42 44.22 1s3s n LEU 140 CO 0.44 -0.59 -0.21 -0.62 -1.11 0.00 0.00 177.39 175.30 1s3s n GLU 141 N 3.71 -0.79 -0.03 1.96 1.02 -1.26 -4.78 120.64 120.48 1s3s n GLU 141 Ca 0.28 0.12 -0.02 0.00 -0.02 0.00 0.00 57.16 57.51 1s3s n GLU 141 Cb -0.04 -4.00 -0.06 0.00 -0.02 0.00 0.00 31.44 27.31 1s3s n GLU 141 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s3s n ALA 142 N -3.81 1.90 -3.31 0.62 0.00 0.25 -5.04 120.51 111.13 1s3s n ALA 142 Ca 0.02 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 1s3s n ALA 142 Cb 0.45 0.01 0.08 0.00 0.00 0.00 0.00 19.45 19.99 1s3s n ALA 142 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s3s n TYR 143 N -2.21 -2.04 -2.64 0.00 4.01 -1.23 -4.95 117.16 108.11 1s3s n TYR 143 Ca -0.11 0.85 -0.43 0.00 -0.16 0.00 0.00 57.90 58.06 1s3s n TYR 143 Cb 0.66 -4.75 -0.02 0.00 -0.31 0.00 0.00 39.34 34.92 1s3s n TYR 143 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1s3s s ARG 144 N -5.34 4.38 -0.24 -0.72 0.52 -1.24 -4.76 118.95 111.55 1s3s s ARG 144 Ca 0.07 1.44 -0.25 0.00 -0.52 0.00 0.00 55.73 56.47 1s3s s ARG 144 Cb -0.03 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.87 1s3s s ARG 144 CO 0.65 -0.40 0.83 -1.25 0.02 0.00 0.00 175.30 175.15 1s3s s PRO 145 N 2.27 4.19 0.01 3.54 0.04 -1.26 -1.23 135.00 142.57 1s3s s PRO 145 Ca 0.49 0.94 0.07 0.00 0.04 0.00 0.00 61.00 62.54 1s3s s PRO 145 Cb -0.19 -3.64 -0.02 0.00 0.04 0.00 0.00 34.50 30.69 1s3s s PRO 145 CO 0.17 -0.50 -0.20 0.96 0.04 0.00 0.00 177.00 177.46 1s3s s ILE 146 N 2.77 1.63 0.63 0.56 -4.36 0.21 -4.60 121.20 118.04 1s3s s ILE 146 Ca 0.35 -1.02 0.05 0.00 -0.26 0.00 0.00 60.65 59.78 1s3s s ILE 146 Cb -0.15 -1.38 0.10 0.00 1.25 0.00 0.00 42.46 42.27 1s3s s ILE 146 CO 0.08 0.34 0.87 -0.60 0.24 0.00 0.00 174.94 175.87 1s3s s ARG 147 N -0.79 2.05 0.61 0.37 3.00 -1.26 -1.53 118.95 121.41 1s3s s ARG 147 Ca 0.08 -1.42 -0.11 0.00 -1.00 0.00 0.00 55.73 53.27 1s3s s ARG 147 Cb -0.08 -2.52 -0.04 0.00 0.00 0.00 0.00 34.95 32.30 1s3s s ARG 147 CO 0.00 -1.09 1.03 0.21 0.00 0.00 0.00 175.30 175.45 1s3s s LYS 148 N -4.85 3.61 0.00 5.12 2.47 -0.09 -3.69 119.74 122.31 1s3s s LYS 148 Ca 0.64 0.75 0.00 0.00 -1.56 0.00 0.00 55.97 55.80 1s3s s LYS 148 Cb -0.06 -2.09 0.00 0.00 -1.46 0.00 0.00 37.83 34.23 1s3s s LYS 148 CO 0.41 -0.56 0.00 0.41 0.16 0.00 0.00 175.35 175.78 1s3s n GLY 149 N -2.70 0.36 3.54 5.54 0.00 0.85 -4.90 105.19 107.87 1s3s n GLY 149 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1s3s n GLY 149 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s3s n ASP 150 N 0.00 -0.24 -4.03 1.61 9.92 -1.24 -4.38 116.55 118.20 1s3s n ASP 150 Ca 0.00 0.72 -0.30 0.00 -0.53 0.00 0.00 54.79 54.69 1s3s n ASP 150 Cb 0.00 -1.29 -0.17 0.00 -0.64 0.00 0.00 41.12 39.03 1s3s n ASP 150 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1s3s s ILE 151 N -1.69 1.54 0.24 0.53 1.01 -1.26 -0.73 121.20 120.84 1s3s s ILE 151 Ca 0.72 -0.63 0.10 0.00 0.00 0.00 0.00 60.65 60.84 1s3s s ILE 151 Cb -0.40 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1s3s s ILE 151 CO 0.51 0.45 -0.09 0.72 0.00 0.00 0.00 174.94 176.54 1s3s s PHE 152 N 1.37 2.56 -0.15 3.97 -0.71 -0.83 -4.91 117.98 119.27 1s3s s PHE 152 Ca 0.02 -0.26 -0.02 0.00 -1.04 0.00 0.00 56.93 55.63 1s3s s PHE 152 Cb -0.13 -1.17 -0.02 0.00 -1.21 0.00 0.00 43.02 40.49 1s3s s PHE 152 CO -0.08 0.60 -0.08 -1.17 -1.34 0.00 0.00 175.22 173.15 1s3s s LEU 153 N -3.32 2.95 -0.19 -1.99 2.96 -1.26 -1.63 118.68 116.20 1s3s s LEU 153 Ca 0.28 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1s3s s LEU 153 Cb -0.07 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.94 1s3s s LEU 153 CO 0.17 0.14 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.47 1s3s s VAL 154 N 0.54 2.24 0.21 1.68 1.01 -0.04 -5.01 120.40 121.04 1s3s s VAL 154 Ca -0.06 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1s3s s VAL 154 Cb -0.15 -1.96 -0.06 0.00 0.00 0.00 0.00 36.38 34.21 1s3s s VAL 154 CO 0.03 0.51 0.49 -0.13 0.00 0.00 0.00 175.10 176.00 1s3s s ARG 155 N 1.31 3.69 0.00 2.72 0.52 -1.26 -0.94 118.95 124.99 1s3s s ARG 155 Ca 0.05 0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.33 1s3s s ARG 155 Cb -0.13 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.62 1s3s s ARG 155 CO -0.11 0.35 0.00 0.41 0.02 0.00 0.00 175.30 175.96 1s3s n GLY 156 N -0.26 4.49 2.16 -3.53 0.00 0.11 -4.97 105.19 103.19 1s3s n GLY 156 Ca -0.01 -1.27 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 1s3s n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3s n GLY 157 N -1.91 0.79 2.16 -0.02 0.00 -1.19 -2.82 105.19 102.18 1s3s n GLY 157 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 1s3s n GLY 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s3s n MET 158 N -2.82 -0.59 -3.82 1.61 0.00 0.98 -4.74 117.12 107.74 1s3s n MET 158 Ca -0.05 0.43 -0.08 0.00 0.00 0.00 0.00 57.70 58.00 1s3s n MET 158 Cb 0.18 -4.34 0.01 0.00 0.00 0.00 0.00 33.22 29.08 1s3s n MET 158 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1s3s s ARG 159 N -4.08 2.06 -0.24 0.03 1.70 -1.13 -4.90 118.95 112.41 1s3s s ARG 159 Ca 0.00 -1.29 -0.02 0.00 -0.47 0.00 0.00 55.73 53.95 1s3s s ARG 159 Cb 0.00 0.60 0.07 0.00 -0.57 0.00 0.00 34.95 35.06 1s3s s ARG 159 CO 0.00 -0.96 0.05 0.00 -1.08 0.00 0.00 175.30 173.30 1s3s s ALA 160 N -2.68 1.32 0.35 7.88 0.00 -1.26 0.10 121.76 127.46 1s3s s ALA 160 Ca 0.15 -1.13 -0.25 0.00 0.00 0.00 0.00 51.96 50.72 1s3s s ALA 160 Cb -0.05 -1.37 -0.10 0.00 0.00 0.00 0.00 23.12 21.60 1s3s s ALA 160 CO 0.10 -1.36 0.96 0.08 0.00 0.00 0.00 175.76 175.54 1s3s s VAL 161 N 1.71 4.17 -0.13 0.00 1.01 -0.12 -4.81 120.40 122.24 1s3s s VAL 161 Ca 0.02 1.72 -0.03 0.00 0.00 0.00 0.00 61.98 63.68 1s3s s VAL 161 Cb -0.17 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1s3s s VAL 161 CO -0.14 0.06 -0.02 -1.61 0.00 0.00 0.00 175.10 173.39 1s3s s GLU 162 N -2.26 3.45 0.01 2.72 2.02 -1.26 -0.87 118.70 122.51 1s3s s GLU 162 Ca 0.53 -0.47 0.08 0.00 0.02 0.00 0.00 54.97 55.13 1s3s s GLU 162 Cb -0.18 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.14 1s3s s GLU 162 CO 0.23 0.41 -0.24 -0.06 0.02 0.00 0.00 175.26 175.62 1s3s s PHE 163 N -0.08 2.11 -0.20 1.61 0.08 -0.64 -1.63 117.98 119.23 1s3s s PHE 163 Ca 0.03 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.63 1s3s s PHE 163 Cb -0.13 -1.31 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 1s3s s PHE 163 CO 0.02 0.03 0.02 0.21 -0.10 0.00 0.00 175.22 175.41 1s3s s LYS 164 N -0.87 3.69 -0.40 0.44 2.47 -0.71 -1.97 119.74 122.39 1s3s s LYS 164 Ca 0.10 -0.48 -0.27 0.00 -1.56 0.00 0.00 55.97 53.75 1s3s s LYS 164 Cb -0.09 -3.13 0.02 0.00 -1.46 0.00 0.00 37.83 33.17 1s3s s LYS 164 CO 0.00 0.05 1.00 0.08 0.16 0.00 0.00 175.35 176.64 1s3s s VAL 165 N 0.94 4.46 -0.62 4.02 1.01 0.09 -1.92 120.40 128.38 1s3s s VAL 165 Ca 0.02 1.21 0.13 0.00 0.00 0.00 0.00 61.98 63.34 1s3s s VAL 165 Cb -0.14 -4.43 -0.14 0.00 0.00 0.00 0.00 36.38 31.67 1s3s s VAL 165 CO 0.02 -0.69 0.55 1.33 0.00 0.00 0.00 175.10 176.31 1s3s n VAL 166 N 6.24 0.00 -3.67 2.92 0.24 -0.28 -0.10 118.33 123.68 1s3s n VAL 166 Ca 0.09 -0.20 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 1s3s n VAL 166 Cb 0.48 1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.77 1s3s n VAL 166 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1s3s s GLU 167 N -2.21 0.70 0.05 7.34 8.01 -0.71 -4.91 118.70 126.97 1s3s s GLU 167 Ca 0.05 0.84 -0.01 0.00 0.01 0.00 0.00 54.97 55.87 1s3s s GLU 167 Cb 0.10 0.34 -0.04 0.00 -4.31 0.00 0.00 34.13 30.22 1s3s s GLU 167 CO 0.53 -0.09 -0.03 0.99 0.01 0.00 0.00 175.26 176.67 1s3s s THR 168 N 0.36 0.22 -0.34 3.63 2.01 -1.26 -0.35 115.64 119.90 1s3s s THR 168 Ca -0.00 -1.67 0.03 0.00 0.31 0.00 0.00 61.69 60.36 1s3s s THR 168 Cb -0.04 -1.32 0.19 0.00 0.01 0.00 0.00 72.50 71.34 1s3s s THR 168 CO 0.00 -0.91 0.70 -0.62 -0.69 0.00 0.00 174.62 173.10 1s3s s ASP 169 N -2.69 -1.33 0.32 3.53 2.15 -0.56 -4.10 116.67 113.99 1s3s s ASP 169 Ca 0.03 -0.22 -0.19 0.00 0.43 0.00 0.00 52.55 52.60 1s3s s ASP 169 Cb 0.05 1.77 -0.14 0.00 -0.30 0.00 0.00 42.92 44.30 1s3s s ASP 169 CO -0.08 -0.20 0.14 -2.65 -0.17 0.00 0.00 175.17 172.20 1s3s n PRO 170 N 4.85 0.00 0.00 4.34 -0.02 -1.26 0.41 135.00 143.32 1s3s n PRO 170 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1s3s n PRO 170 Cb 0.56 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 1s3s n PRO 170 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1s3s n SER 171 N 1.97 -0.95 0.00 2.55 7.64 -1.26 -4.37 113.62 119.21 1s3s n SER 171 Ca 0.11 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1s3s n SER 171 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1s3s n SER 171 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1s3s n PRO 172 N -1.25 0.00 -3.95 1.43 -0.02 -1.26 -4.52 135.00 125.43 1s3s n PRO 172 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 1s3s n PRO 172 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 1s3s n PRO 172 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1s3s s TYR 173 N 0.00 0.47 -0.12 6.00 -0.00 -1.26 -0.91 117.35 121.53 1s3s s TYR 173 Ca 0.00 -0.91 -0.34 0.00 -0.00 0.00 0.00 57.07 55.83 1s3s s TYR 173 Cb 0.00 0.38 0.14 0.00 -0.00 0.00 0.00 41.96 42.48 1s3s s TYR 173 CO 0.00 -1.28 1.38 0.00 -0.00 0.00 0.00 175.55 175.65 1s3s s ILE 175 N -2.15 3.31 -0.09 0.00 1.01 -1.24 0.68 121.20 122.72 1s3s s ILE 175 Ca 0.14 -1.11 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 1s3s s ILE 175 Cb 0.05 -2.80 -0.08 0.00 0.01 0.00 0.00 42.46 39.64 1s3s s ILE 175 CO -0.05 -0.01 2.08 0.52 0.00 0.00 0.00 174.94 177.48 1s3s n VAL 176 N 4.72 0.56 -3.95 2.92 0.31 -0.36 -2.20 118.33 120.33 1s3s n VAL 176 Ca -0.14 -0.27 -0.23 0.00 -0.01 0.00 0.00 64.34 63.69 1s3s n VAL 176 Cb 0.45 -2.34 -0.05 0.00 -0.91 0.00 0.00 33.84 30.99 1s3s n VAL 176 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s3s s ALA 177 N 6.08 3.69 -2.00 3.52 0.00 -1.26 -3.50 121.76 128.29 1s3s s ALA 177 Ca 0.95 -1.89 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1s3s s ALA 177 Cb -0.44 -0.77 0.06 0.00 0.00 0.00 0.00 23.12 21.97 1s3s s ALA 177 CO 0.41 -0.07 0.47 -0.35 0.00 0.00 0.00 175.76 176.21 1s3s n PRO 178 N -1.29 0.04 -0.00 0.00 -0.04 -1.26 -0.57 135.00 131.88 1s3s n PRO 178 Ca -0.01 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1s3s n PRO 178 Cb 0.62 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.63 1s3s n PRO 178 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1s3s n ASP 179 N -0.91 0.72 -4.74 3.54 9.92 -1.26 -5.01 116.55 118.80 1s3s n ASP 179 Ca 0.01 -0.59 -0.41 0.00 -0.53 0.00 0.00 54.79 53.27 1s3s n ASP 179 Cb 0.00 1.04 -0.03 0.00 -0.64 0.00 0.00 41.12 41.50 1s3s n ASP 179 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1s3s s THR 180 N -1.79 3.12 0.25 -3.53 2.01 0.27 -4.86 115.64 111.10 1s3s s THR 180 Ca 0.02 0.94 -0.20 0.00 0.31 0.00 0.00 61.69 62.76 1s3s s THR 180 Cb 0.05 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.88 1s3s s THR 180 CO 0.30 0.15 0.76 -0.69 -0.69 0.00 0.00 174.62 174.46 1s3s s VAL 181 N -0.07 4.52 -0.18 3.82 1.01 0.28 -4.88 120.40 124.90 1s3s s VAL 181 Ca 0.56 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.89 1s3s s VAL 181 Cb -0.37 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.18 1s3s s VAL 181 CO 0.40 0.16 -0.14 -0.63 0.00 0.00 0.00 175.10 174.89 1s3s s ILE 182 N -1.58 1.77 -0.17 2.22 1.01 -1.26 -1.54 121.20 121.65 1s3s s ILE 182 Ca 0.45 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 1s3s s ILE 182 Cb -0.16 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1s3s s ILE 182 CO 0.21 0.37 0.09 -1.00 0.00 0.00 0.00 174.94 174.61 1s3s s HIS 183 N 1.38 3.36 -0.58 3.97 3.76 0.16 -4.99 115.29 122.35 1s3s s HIS 183 Ca 0.02 0.25 0.06 0.00 -0.15 0.00 0.00 55.06 55.24 1s3s s HIS 183 Cb -0.14 -2.05 0.25 0.00 1.11 0.00 0.00 32.58 31.75 1s3s s HIS 183 CO -0.10 0.34 0.70 0.00 -0.85 0.00 0.00 174.74 174.83 1s3s n GLU 185 N 0.93 0.33 0.00 0.00 4.71 -1.26 -4.85 120.64 120.51 1s3s n GLU 185 Ca 0.28 0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.58 1s3s n GLU 185 Cb 0.44 -1.82 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 1s3s n GLU 185 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s3s n GLY 186 N 1.65 0.01 2.74 0.62 0.00 -1.26 -4.81 105.19 104.15 1s3s n GLY 186 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1s3s n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s3s s GLU 187 N -1.53 0.12 -0.17 1.61 2.02 -1.26 -5.11 118.70 114.38 1s3s s GLU 187 Ca 0.00 0.23 -0.29 0.00 0.02 0.00 0.00 54.97 54.92 1s3s s GLU 187 Cb 0.00 -0.51 -0.02 0.00 0.10 0.00 0.00 34.13 33.70 1s3s s GLU 187 CO 0.00 -0.24 1.39 -2.14 0.02 0.00 0.00 175.26 174.28 1s3s s PRO 188 N 1.63 4.11 0.49 0.39 0.02 -1.26 -4.68 135.00 135.69 1s3s s PRO 188 Ca -0.02 1.69 -0.08 0.00 0.02 0.00 0.00 61.00 62.61 1s3s s PRO 188 Cb -0.13 -3.86 0.11 0.00 0.02 0.00 0.00 34.50 30.65 1s3s s PRO 188 CO -0.03 -0.88 0.62 0.44 -0.33 0.00 0.00 177.00 176.82 1s3s n ILE 189 N 5.67 0.00 -3.69 2.83 -5.35 -0.95 -4.52 119.36 113.34 1s3s n ILE 189 Ca 0.15 -0.42 -0.21 0.00 -0.27 0.00 0.00 62.75 62.00 1s3s n ILE 189 Cb 0.45 -1.64 -0.03 0.00 -1.74 0.00 0.00 39.64 36.67 1s3s n ILE 189 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1s3s s LYS 190 N -4.35 2.64 -0.56 6.28 2.47 -1.26 -1.59 119.74 123.37 1s3s s LYS 190 Ca 0.36 -1.40 -0.19 0.00 -1.56 0.00 0.00 55.97 53.18 1s3s s LYS 190 Cb -0.01 -2.44 0.09 0.00 -1.46 0.00 0.00 37.83 34.01 1s3s s LYS 190 CO 0.25 -0.03 0.67 0.50 0.16 0.00 0.00 175.35 176.91 1s3s s ARG 191 N -4.06 3.07 0.31 4.03 3.52 -1.26 -4.93 118.95 119.63 1s3s s ARG 191 Ca 0.44 -1.18 -0.29 0.00 -0.13 0.00 0.00 55.73 54.57 1s3s s ARG 191 Cb -0.05 -4.21 -0.11 0.00 -1.56 0.00 0.00 34.95 29.02 1s3s s ARG 191 CO 0.27 -1.43 1.55 -1.21 -0.81 0.00 0.00 175.30 173.67 1s3s s GLU 192 N 2.66 4.14 0.00 5.12 0.41 -1.26 -4.82 118.70 124.94 1s3s s GLU 192 Ca 0.13 2.54 0.00 0.00 -0.41 0.00 0.00 54.97 57.22 1s3s s GLU 192 Cb -0.23 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.10 1s3s s GLU 192 CO 0.08 -0.58 0.30 -3.47 -0.49 0.00 0.00 175.26 171.11 1s3s n ASP 193 N 1.77 0.16 -0.16 -0.19 -0.08 -1.26 0.36 116.55 117.15 1s3s n ASP 193 Ca 0.06 -0.76 0.06 0.00 -1.51 0.00 0.00 54.79 52.65 1s3s n ASP 193 Cb 0.38 -0.08 -0.04 0.00 2.34 0.00 0.00 41.12 43.73 1s3s n ASP 193 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1s3s n GLU 194 N -0.17 2.25 -3.67 -0.67 4.07 -1.26 -4.87 120.64 116.32 1s3s n GLU 194 Ca 0.00 -0.37 -0.39 0.00 -0.06 0.00 0.00 57.16 56.34 1s3s n GLU 194 Cb 0.04 -1.16 -0.11 0.00 -0.06 0.00 0.00 31.44 30.15 1s3s n GLU 194 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1s3s s GLU 195 N -1.97 2.60 0.66 5.31 2.02 0.16 -5.09 118.70 122.39 1s3s s GLU 195 Ca 0.08 -1.32 -0.15 0.00 0.02 0.00 0.00 54.97 53.60 1s3s s GLU 195 Cb 0.11 -3.63 -0.00 0.00 0.10 0.00 0.00 34.13 30.70 1s3s s GLU 195 CO 0.44 -0.81 1.12 -2.00 0.02 0.00 0.00 175.26 174.03 1s3s s GLU 196 N 1.42 2.78 0.22 1.61 2.12 -1.26 -4.69 118.70 120.90 1s3s s GLU 196 Ca 0.01 1.43 -0.05 0.00 0.36 0.00 0.00 54.97 56.72 1s3s s GLU 196 Cb -0.21 -1.94 -0.06 0.00 0.26 0.00 0.00 34.13 32.18 1s3s s GLU 196 CO 0.03 -1.27 0.48 0.45 -0.54 0.00 0.00 175.26 174.41 1s3s s SER 197 N -2.49 6.49 0.00 -1.70 0.15 -1.26 -4.95 113.70 109.94 1s3s s SER 197 Ca 0.68 0.69 0.23 0.00 0.70 0.00 0.00 55.95 58.24 1s3s s SER 197 Cb -0.21 -2.13 0.83 0.00 -1.71 0.00 0.00 66.02 62.80 1s3s s SER 197 CO 0.41 -0.08 1.60 0.18 1.20 0.00 0.00 173.24 176.55 1s3s n LEU 198 N -0.43 1.62 0.20 3.45 4.77 -1.26 -3.12 117.00 122.23 1s3s n LEU 198 Ca -0.02 -0.64 0.11 0.00 -0.03 0.00 0.00 56.01 55.43 1s3s n LEU 198 Cb 0.53 -0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.68 1s3s n LEU 198 CO 0.48 0.32 0.72 -1.13 -1.33 0.00 0.00 177.39 176.45 1s3s h ASN 199 N 2.25 0.00 -4.26 -1.43 -1.24 -1.96 -3.46 115.58 105.48 1s3s h ASN 199 Ca 0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 1s3s h ASN 199 Cb 0.49 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.66 1s3s h ASN 199 CO 0.00 0.08 0.34 -1.61 -1.29 0.00 0.00 177.43 174.95 1s3s s GLU 200 N -3.18 2.43 0.46 6.67 0.41 -1.18 -5.00 118.70 119.31 1s3s s GLU 200 Ca 0.06 1.29 -0.22 0.00 -0.41 0.00 0.00 54.97 55.68 1s3s s GLU 200 Cb 0.06 -1.91 -0.08 0.00 -1.78 0.00 0.00 34.13 30.42 1s3s s GLU 200 CO 0.69 -1.53 1.10 0.08 -0.49 0.00 0.00 175.26 175.11 1s3s s VAL 201 N -2.65 3.43 0.36 2.63 1.01 -1.26 -5.04 120.40 118.88 1s3s s VAL 201 Ca 0.64 1.02 -0.05 0.00 0.00 0.00 0.00 61.98 63.59 1s3s s VAL 201 Cb -0.19 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1s3s s VAL 201 CO 0.50 -0.07 0.54 -0.83 0.00 0.00 0.00 175.10 175.24 1s3s s GLY 202 N -1.60 1.31 0.36 4.51 0.00 -1.26 -4.66 107.32 105.98 1s3s s GLY 202 Ca 0.64 -1.39 0.04 0.00 0.00 0.00 0.00 44.72 44.00 1s3s s GLY 202 CO 0.29 -0.88 1.98 -0.97 0.00 0.00 0.00 173.10 173.51 1s3s h TYR 203 N 2.08 0.66 0.00 1.90 0.05 -1.96 -2.26 116.97 117.44 1s3s h TYR 203 Ca -0.29 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1s3s h TYR 203 Cb 1.24 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.77 1s3s h TYR 203 CO 1.51 0.47 0.00 -0.40 -1.05 0.00 0.00 178.16 178.69 1s3s n ASP 204 N -4.40 0.00 0.00 3.88 3.85 -1.26 -1.46 116.55 117.16 1s3s n ASP 204 Ca 0.04 0.13 0.11 0.00 -0.71 0.00 0.00 54.79 54.36 1s3s n ASP 204 Cb 0.11 -0.28 0.06 0.00 -1.35 0.00 0.00 41.12 39.66 1s3s n ASP 204 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1s3s n ASP 205 N -1.28 0.71 -4.69 -1.12 9.92 -0.85 -4.88 116.55 114.36 1s3s n ASP 205 Ca 0.05 -0.54 -0.35 0.00 -0.53 0.00 0.00 54.79 53.42 1s3s n ASP 205 Cb 0.08 0.65 -0.09 0.00 -0.64 0.00 0.00 41.12 41.13 1s3s n ASP 205 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1s3s s VAL 206 N -3.04 4.79 0.10 2.53 1.01 -0.54 -5.02 120.40 120.23 1s3s s VAL 206 Ca 0.08 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1s3s s VAL 206 Cb 0.16 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1s3s s VAL 206 CO 0.79 0.52 -0.11 -0.83 0.00 0.00 0.00 175.10 175.47 1s3s s GLY 207 N -0.18 0.87 0.00 4.51 0.00 -1.26 -4.82 107.32 106.44 1s3s s GLY 207 Ca 0.07 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1s3s s GLY 207 CO 0.01 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.49 1s3s n GLY 208 N 0.65 2.76 3.36 0.20 0.00 -1.26 -4.75 105.19 106.14 1s3s n GLY 208 Ca -0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 1s3s n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3s n ARG 210 N 5.19 0.44 0.41 0.00 3.00 -1.26 -3.71 116.66 120.73 1s3s n ARG 210 Ca 0.06 0.19 -0.18 0.00 -0.01 0.00 0.00 57.85 57.91 1s3s n ARG 210 Cb 0.45 -1.24 -0.09 0.00 0.00 0.00 0.00 32.46 31.58 1s3s n ARG 210 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1s3s h LYS 211 N -0.76 -0.99 -0.42 5.56 3.64 -1.99 -0.48 116.57 121.12 1s3s h LYS 211 Ca -0.46 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 1s3s h LYS 211 Cb 1.36 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 33.39 1s3s h LYS 211 CO -0.28 -0.65 0.20 -0.56 -2.27 0.00 0.00 179.45 175.90 1s3s h GLN 212 N -1.09 0.61 0.00 1.90 -0.00 -1.90 -0.46 115.11 114.17 1s3s h GLN 212 Ca -0.10 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.45 1s3s h GLN 212 Cb 0.80 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 28.17 1s3s h GLN 212 CO 0.17 0.53 0.00 1.25 -0.00 0.00 0.00 178.83 180.78 1s3s h LEU 213 N 0.54 0.00 0.06 0.06 6.46 -1.63 -1.84 115.31 118.97 1s3s h LEU 213 Ca 0.14 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1s3s h LEU 213 Cb 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1s3s h LEU 213 CO -0.02 0.00 -0.03 0.00 -0.62 0.00 0.00 178.44 177.77 1s3s h ALA 214 N 2.02 -0.08 -0.30 1.25 0.00 0.55 -3.22 119.26 119.48 1s3s h ALA 214 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.72 1s3s h ALA 214 Cb 0.07 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1s3s h ALA 214 CO 0.00 -0.11 -0.18 1.96 0.00 0.00 0.00 179.25 180.92 1s3s h GLN 215 N -0.95 -0.14 -0.30 0.00 4.20 -0.57 -1.25 115.11 116.11 1s3s h GLN 215 Ca -0.01 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1s3s h GLN 215 Cb 0.54 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.27 1s3s h GLN 215 CO 0.01 -0.09 -0.20 0.82 -0.67 0.00 0.00 178.83 178.70 1s3s h ILE 216 N -0.14 0.44 -0.73 2.54 2.04 -1.58 0.30 117.51 120.39 1s3s h ILE 216 Ca 0.16 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.09 1s3s h ILE 216 Cb 0.38 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 1s3s h ILE 216 CO -0.39 0.00 0.41 0.11 0.00 0.00 0.00 178.15 178.28 1s3s h LYS 217 N -0.17 0.70 -0.80 2.37 1.57 -1.45 -0.44 116.57 118.35 1s3s h LYS 217 Ca 0.16 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1s3s h LYS 217 Cb 0.42 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1s3s h LYS 217 CO -0.41 0.46 0.45 1.49 -0.57 0.00 0.00 179.45 180.87 1s3s h GLU 218 N 0.72 1.10 0.05 3.15 4.81 0.29 0.21 114.58 124.90 1s3s h GLU 218 Ca 0.34 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1s3s h GLU 218 Cb 0.26 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1s3s h GLU 218 CO -0.22 0.79 -0.02 0.52 -0.73 0.00 0.00 179.01 179.36 1s3s h MET 219 N 1.11 -0.06 0.00 1.92 2.86 0.07 -3.34 114.93 117.49 1s3s h MET 219 Ca 0.28 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.88 1s3s h MET 219 Cb 0.01 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1s3s h MET 219 CO -0.05 0.54 -0.22 -0.39 1.06 0.00 0.00 176.91 177.85 1s3s h VAL 220 N -0.92 0.96 0.00 -2.22 -1.51 -1.10 -3.38 116.25 108.07 1s3s h VAL 220 Ca -0.01 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1s3s h VAL 220 Cb 0.63 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1s3s h VAL 220 CO 0.01 0.21 0.00 1.21 -1.23 0.00 0.00 177.57 177.77 1s3s n GLU 221 N -3.99 0.00 -0.06 5.19 4.07 0.74 -1.40 120.64 125.18 1s3s n GLU 221 Ca -0.02 0.24 -0.12 0.00 -0.06 0.00 0.00 57.16 57.20 1s3s n GLU 221 Cb 0.30 -0.63 -0.08 0.00 -0.06 0.00 0.00 31.44 30.97 1s3s n GLU 221 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1s3s h LEU 222 N 0.00 -1.46 -1.45 4.31 3.38 -1.82 0.55 115.31 118.82 1s3s h LEU 222 Ca 0.00 0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.27 1s3s h LEU 222 Cb 0.00 0.59 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1s3s h LEU 222 CO 0.00 -0.36 0.50 1.55 0.09 0.00 0.00 178.44 180.22 1s3s h PRO 223 N -0.39 0.57 0.11 1.13 0.13 -1.78 1.82 132.00 133.58 1s3s h PRO 223 Ca 0.04 -0.03 -0.33 0.00 -0.87 0.00 0.00 66.00 64.81 1s3s h PRO 223 Cb 0.51 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 1s3s h PRO 223 CO -0.42 0.37 -1.73 -0.07 -0.23 0.00 0.00 178.00 175.92 1s3s h LEU 224 N 0.58 0.38 0.14 1.56 4.07 -0.97 -3.36 115.31 117.71 1s3s h LEU 224 Ca 0.36 -0.65 -0.34 0.00 0.08 0.00 0.00 57.88 57.33 1s3s h LEU 224 Cb 0.60 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1s3s h LEU 224 CO -0.13 1.56 -1.81 0.03 -1.08 0.00 0.00 178.44 177.01 1s3s h ARG 225 N 0.07 0.29 -2.40 1.13 2.47 0.39 -3.42 114.38 112.90 1s3s h ARG 225 Ca -0.32 -0.49 -0.62 0.00 -1.26 0.00 0.00 59.98 57.29 1s3s h ARG 225 Cb 2.04 0.18 -0.41 0.00 -1.65 0.00 0.00 29.97 30.13 1s3s h ARG 225 CO 0.13 1.23 -0.50 0.72 0.56 0.00 0.00 179.97 182.11 1s3s n HIS 226 N -3.63 3.54 0.02 3.04 8.25 0.61 -4.95 115.22 122.11 1s3s n HIS 226 Ca -0.29 -4.10 -0.09 0.00 -0.26 0.00 0.00 57.72 52.98 1s3s n HIS 226 Cb 1.01 -0.62 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 1s3s n HIS 226 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1s3s h PRO 227 N 4.48 -0.36 -0.87 -0.41 0.11 -1.71 -3.01 132.00 130.23 1s3s h PRO 227 Ca 0.19 0.02 0.25 0.00 0.11 0.00 0.00 66.00 66.57 1s3s h PRO 227 Cb 0.68 0.08 -0.16 0.00 0.11 0.00 0.00 31.00 31.71 1s3s h PRO 227 CO 0.85 -0.24 0.04 0.00 -0.21 0.00 0.00 178.00 178.44 1s3s n ALA 228 N -2.79 0.47 -0.33 -0.75 0.00 -1.26 -2.30 120.51 113.56 1s3s n ALA 228 Ca -0.04 0.93 -0.08 0.00 0.00 0.00 0.00 53.44 54.25 1s3s n ALA 228 Cb 0.23 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 1s3s n ALA 228 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s3s h LEU 229 N 0.00 -1.79 -1.85 0.00 5.85 -1.91 0.33 115.31 115.93 1s3s h LEU 229 Ca 0.54 0.30 -0.02 0.00 0.84 0.00 0.00 57.88 59.53 1s3s h LEU 229 Cb 1.14 0.82 -0.00 0.00 0.37 0.00 0.00 40.66 42.99 1s3s h LEU 229 CO -0.81 -0.29 -0.11 -0.26 -0.34 0.00 0.00 178.44 176.63 1s3s h PHE 230 N -0.10 0.00 0.00 1.25 0.04 -1.63 -0.46 116.94 116.03 1s3s h PHE 230 Ca 0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1s3s h PHE 230 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1s3s h PHE 230 CO -0.88 0.11 0.00 1.17 -0.60 0.00 0.00 178.31 178.11 1s3s n LYS 231 N -3.53 0.89 0.00 1.51 3.00 0.11 -3.01 118.16 117.14 1s3s n LYS 231 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1s3s n LYS 231 Cb 0.25 -1.12 0.00 0.00 0.00 0.00 0.00 35.03 34.16 1s3s n LYS 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s3s n ALA 232 N -0.62 0.67 -2.43 3.14 0.00 -0.27 -5.06 120.51 115.94 1s3s n ALA 232 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 1s3s n ALA 232 Cb 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.37 1s3s n ALA 232 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1s3s s ILE 233 N -0.55 2.10 -0.47 0.00 -1.09 -0.68 -5.05 121.20 115.45 1s3s s ILE 233 Ca 0.00 -2.16 0.01 0.00 -2.23 0.00 0.00 60.65 56.27 1s3s s ILE 233 Cb 0.00 -2.08 0.51 0.00 -1.58 0.00 0.00 42.46 39.31 1s3s s ILE 233 CO 0.00 -0.38 1.90 0.61 -1.23 0.00 0.00 174.94 175.84 1s3s n GLY 234 N -0.16 4.72 3.87 6.18 0.00 -1.26 -4.73 105.19 113.79 1s3s n GLY 234 Ca -0.09 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 1s3s n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3s s VAL 235 N -3.45 5.23 -0.42 1.61 1.01 -1.26 -5.06 120.40 118.06 1s3s s VAL 235 Ca 0.53 0.43 -0.26 0.00 0.00 0.00 0.00 61.98 62.68 1s3s s VAL 235 Cb 0.43 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 33.25 1s3s s VAL 235 CO 0.05 0.47 0.97 -0.54 0.00 0.00 0.00 175.10 176.06 1s3s s LYS 236 N -1.41 3.71 0.62 2.72 -0.14 -1.26 -4.98 119.74 119.00 1s3s s LYS 236 Ca 0.24 0.43 -0.11 0.00 -1.36 0.00 0.00 55.97 55.18 1s3s s LYS 236 Cb -0.14 -3.87 -0.03 0.00 -1.68 0.00 0.00 37.83 32.11 1s3s s LYS 236 CO 0.13 -1.13 1.02 -1.25 -0.76 0.00 0.00 175.35 173.36 1s3s s PRO 237 N 3.76 3.47 0.08 -1.68 0.04 -1.26 -5.00 135.00 134.40 1s3s s PRO 237 Ca 0.40 0.66 -0.31 0.00 0.04 0.00 0.00 61.00 61.79 1s3s s PRO 237 Cb -0.10 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1s3s s PRO 237 CO 0.24 -0.62 1.31 -2.14 0.04 0.00 0.00 177.00 175.83 1s3s s PRO 238 N -5.18 4.36 -0.00 0.56 0.02 -1.26 -4.92 135.00 128.58 1s3s s PRO 238 Ca 0.55 1.94 0.05 0.00 0.02 0.00 0.00 61.00 63.56 1s3s s PRO 238 Cb -0.11 -3.32 -0.07 0.00 0.02 0.00 0.00 34.50 31.03 1s3s s PRO 238 CO 0.53 -0.38 0.17 0.54 -0.33 0.00 0.00 177.00 177.53 1s3s n ARG 239 N 4.07 2.98 -3.54 5.54 5.12 -1.26 -4.91 116.66 124.66 1s3s n ARG 239 Ca 0.11 -0.02 -0.18 0.00 -1.93 0.00 0.00 57.85 55.82 1s3s n ARG 239 Cb 0.44 -0.91 -0.14 0.00 -1.16 0.00 0.00 32.46 30.69 1s3s n ARG 239 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1s3s s GLY 240 N -1.98 0.01 -0.13 -0.13 0.00 -1.21 -1.49 107.32 102.40 1s3s s GLY 240 Ca 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 44.72 45.03 1s3s s GLY 240 CO 0.21 2.04 0.00 -0.42 0.00 0.00 0.00 173.10 174.93 1s3s s ILE 241 N 2.32 4.27 -0.30 0.90 1.01 0.13 -2.27 121.20 127.26 1s3s s ILE 241 Ca 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 1s3s s ILE 241 Cb -0.15 -2.85 0.05 0.00 0.01 0.00 0.00 42.46 39.51 1s3s s ILE 241 CO -0.11 0.53 0.01 -0.22 0.00 0.00 0.00 174.94 175.16 1s3s s LEU 242 N -0.14 3.92 -0.29 2.97 2.96 0.35 -1.78 118.68 126.67 1s3s s LEU 242 Ca 0.05 -1.24 -0.19 0.00 -0.22 0.00 0.00 54.13 52.52 1s3s s LEU 242 Cb -0.13 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1s3s s LEU 242 CO 0.02 -0.26 0.59 -0.76 -1.32 0.00 0.00 176.35 174.61 1s3s s LEU 243 N 1.28 4.12 0.00 -0.68 1.02 0.08 -0.28 118.68 124.20 1s3s s LEU 243 Ca -0.05 0.47 0.02 0.00 0.02 0.00 0.00 54.13 54.59 1s3s s LEU 243 Cb -0.20 -2.76 0.08 0.00 0.02 0.00 0.00 46.19 43.34 1s3s s LEU 243 CO -0.01 -0.40 0.59 -1.22 0.02 0.00 0.00 176.35 175.34 1s3s n TYR 244 N 5.74 -2.95 0.00 0.29 4.01 -0.24 -1.71 117.16 122.30 1s3s n TYR 244 Ca -0.02 -1.17 0.00 0.00 -0.16 0.00 0.00 57.90 56.55 1s3s n TYR 244 Cb 0.49 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1s3s n TYR 244 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s3s n GLY 245 N 0.29 3.55 3.57 2.72 0.00 -1.21 -2.97 105.19 111.14 1s3s n GLY 245 Ca 0.10 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1s3s n GLY 245 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s3s s PRO 246 N -3.82 -1.46 0.78 1.61 0.04 -1.26 -4.11 135.00 126.77 1s3s s PRO 246 Ca 0.00 -0.10 -0.11 0.00 0.04 0.00 0.00 61.00 60.84 1s3s s PRO 246 Cb 0.00 -1.57 0.06 0.00 0.04 0.00 0.00 34.50 33.03 1s3s s PRO 246 CO 0.00 -3.87 1.09 -2.14 0.04 0.00 0.00 177.00 172.13 1s3s s PRO 247 N -5.42 2.22 0.00 0.56 0.02 -1.26 -3.34 135.00 127.78 1s3s s PRO 247 Ca 0.71 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.92 1s3s s PRO 247 Cb -0.09 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1s3s s PRO 247 CO 0.56 -1.68 0.00 0.41 -0.33 0.00 0.00 177.00 175.96 1s3s n GLY 248 N -1.15 0.33 0.04 0.52 0.00 -1.26 -4.86 105.19 98.81 1s3s n GLY 248 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1s3s n GLY 248 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s3s n THR 249 N -2.47 0.50 -0.06 2.61 -1.04 -1.21 -1.82 114.28 110.80 1s3s n THR 249 Ca 0.00 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1s3s n THR 249 Cb 0.18 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 1s3s n THR 249 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s3s n GLY 250 N 0.86 0.97 0.21 3.41 0.00 -1.26 -4.81 105.19 104.56 1s3s n GLY 250 Ca 0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1s3s n GLY 250 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s3s h LYS 251 N 0.50 0.65 -0.17 1.61 1.57 -1.93 0.47 116.57 119.27 1s3s h LYS 251 Ca 0.00 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 1s3s h LYS 251 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1s3s h LYS 251 CO 0.00 0.61 -0.31 1.15 -0.57 0.00 0.00 179.45 180.33 1s3s h THR 252 N 0.55 1.27 0.79 -0.16 2.02 -1.99 -1.95 112.91 113.44 1s3s h THR 252 Ca 0.14 -1.31 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 1s3s h THR 252 Cb 0.21 1.48 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1s3s h THR 252 CO -0.01 0.40 -0.38 0.25 0.37 0.00 0.00 175.52 176.15 1s3s h LEU 253 N 0.29 -0.89 -0.61 2.58 6.46 -1.85 -1.77 115.31 119.52 1s3s h LEU 253 Ca 0.04 0.03 0.13 0.00 -0.12 0.00 0.00 57.88 57.96 1s3s h LEU 253 Cb 0.69 0.23 -0.11 0.00 -0.73 0.00 0.00 40.66 40.75 1s3s h LEU 253 CO 0.05 -0.55 -0.05 0.40 -0.62 0.00 0.00 178.44 177.68 1s3s h ILE 254 N -1.24 0.46 -0.29 4.05 2.04 -0.03 0.87 117.51 123.37 1s3s h ILE 254 Ca -0.11 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1s3s h ILE 254 Cb 0.81 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1s3s h ILE 254 CO 0.18 0.01 0.19 0.00 0.00 0.00 0.00 178.15 178.53 1s3s h ALA 255 N 1.57 0.36 -0.17 1.87 0.00 -1.30 -1.55 119.26 120.04 1s3s h ALA 255 Ca 0.31 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 1s3s h ALA 255 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1s3s h ALA 255 CO -0.55 -0.16 -0.47 -0.09 0.00 0.00 0.00 179.25 177.98 1s3s h ARG 256 N 0.38 0.44 0.84 0.00 2.43 -0.69 -2.17 114.38 115.61 1s3s h ARG 256 Ca 0.10 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1s3s h ARG 256 Cb -0.04 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1s3s h ARG 256 CO -0.02 0.82 -0.44 0.00 -1.51 0.00 0.00 179.97 178.82 1s3s h ALA 257 N 1.14 -1.18 -0.97 2.80 0.00 -0.56 -1.15 119.26 119.34 1s3s h ALA 257 Ca 0.02 -0.25 0.25 0.00 0.00 0.00 0.00 54.91 54.93 1s3s h ALA 257 Cb 0.96 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1s3s h ALA 257 CO 0.08 -1.17 0.66 0.28 0.00 0.00 0.00 179.25 179.10 1s3s h VAL 258 N -1.17 0.57 0.02 0.00 2.07 -1.20 0.44 116.25 116.98 1s3s h VAL 258 Ca -0.11 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1s3s h VAL 258 Cb 0.91 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1s3s h VAL 258 CO 0.17 0.04 -0.01 0.00 0.02 0.00 0.00 177.57 177.79 1s3s h ALA 259 N 1.57 -0.03 -0.14 1.67 0.00 -0.65 -2.55 119.26 119.14 1s3s h ALA 259 Ca 0.50 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1s3s h ALA 259 Cb 1.54 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1s3s h ALA 259 CO -0.14 -0.35 -0.07 -0.91 0.00 0.00 0.00 179.25 177.78 1s3s h ASN 260 N -0.36 0.29 -0.72 0.00 2.35 0.16 -0.72 115.58 116.59 1s3s h ASN 260 Ca -0.00 -0.41 0.21 0.00 -0.55 0.00 0.00 56.30 55.54 1s3s h ASN 260 Cb 0.34 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1s3s h ASN 260 CO 0.01 0.64 0.59 -0.08 -1.65 0.00 0.00 177.43 176.93 1s3s h GLU 261 N -0.06 0.00 -0.16 0.81 4.57 -0.27 0.70 114.58 120.17 1s3s h GLU 261 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1s3s h GLU 261 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1s3s h GLU 261 CO 0.02 0.00 0.00 0.25 -1.18 0.00 0.00 179.01 178.10 1s3s n THR 262 N -4.04 2.04 -0.70 0.32 -2.24 -0.96 -4.27 114.28 104.42 1s3s n THR 262 Ca 0.14 -1.94 0.00 0.00 -2.27 0.00 0.00 64.05 59.99 1s3s n THR 262 Cb 0.85 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1s3s n THR 262 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s3s n GLY 263 N -0.78 0.00 3.77 3.38 0.00 0.24 -4.88 105.19 106.92 1s3s n GLY 263 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1s3s n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3s s ALA 264 N -0.83 3.03 0.27 4.61 0.00 -0.33 -4.98 121.76 123.53 1s3s s ALA 264 Ca 0.00 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1s3s s ALA 264 Cb 0.00 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 1s3s s ALA 264 CO 0.00 -0.54 1.39 0.12 0.00 0.00 0.00 175.76 176.72 1s3s s PHE 265 N -1.55 3.04 -0.09 0.00 5.36 -0.23 -4.50 117.98 120.01 1s3s s PHE 265 Ca 0.61 1.17 0.03 0.00 -0.96 0.00 0.00 56.93 57.78 1s3s s PHE 265 Cb -0.28 -3.76 -0.02 0.00 -0.34 0.00 0.00 43.02 38.63 1s3s s PHE 265 CO 0.34 -2.36 -0.17 0.12 -1.46 0.00 0.00 175.22 171.69 1s3s s PHE 266 N -0.37 2.67 -0.07 10.12 5.36 -1.26 0.14 117.98 134.58 1s3s s PHE 266 Ca 0.56 -0.57 0.01 0.00 -0.96 0.00 0.00 56.93 55.96 1s3s s PHE 266 Cb -0.41 -1.72 0.02 0.00 -0.34 0.00 0.00 43.02 40.58 1s3s s PHE 266 CO 0.46 -0.13 -0.06 0.12 -1.46 0.00 0.00 175.22 174.16 1s3s s PHE 267 N -0.06 1.01 -0.18 10.12 2.19 -0.38 -4.94 117.98 125.73 1s3s s PHE 267 Ca -0.04 -0.36 -0.09 0.00 0.33 0.00 0.00 56.93 56.77 1s3s s PHE 267 Cb -0.14 -0.87 -0.05 0.00 -1.31 0.00 0.00 43.02 40.65 1s3s s PHE 267 CO 0.04 -0.29 0.11 -1.17 1.83 0.00 0.00 175.22 175.74 1s3s s LEU 268 N 1.20 4.11 -0.14 6.12 2.96 -1.26 -0.90 118.68 130.77 1s3s s LEU 268 Ca -0.06 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1s3s s LEU 268 Cb -0.14 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.53 1s3s s LEU 268 CO -0.02 0.21 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.48 1s3s s ILE 269 N 0.16 1.37 -0.13 6.68 1.01 -0.16 -4.98 121.20 125.16 1s3s s ILE 269 Ca 0.08 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1s3s s ILE 269 Cb -0.11 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1s3s s ILE 269 CO -0.01 0.37 0.05 0.21 0.00 0.00 0.00 174.94 175.57 1s3s s ASN 270 N 1.56 5.62 0.02 3.58 3.84 -1.26 -0.94 114.94 127.37 1s3s s ASN 270 Ca 0.04 0.19 -0.07 0.00 0.21 0.00 0.00 52.86 53.23 1s3s s ASN 270 Cb -0.13 -1.78 -0.03 0.00 -0.55 0.00 0.00 41.25 38.76 1s3s s ASN 270 CO -0.09 0.32 1.12 1.23 -2.79 0.00 0.00 177.10 176.88 1s3s h GLY 271 N 5.65 -1.43 -0.22 1.21 0.00 -0.59 -2.50 103.07 105.17 1s3s h GLY 271 Ca -0.47 0.66 0.24 0.00 0.00 0.00 0.00 47.33 47.77 1s3s h GLY 271 CO 0.61 -0.50 0.49 -2.55 0.00 0.00 0.00 176.54 174.58 1s3s h PRO 272 N -0.13 0.44 -0.81 4.80 0.11 -1.86 0.38 132.00 134.93 1s3s h PRO 272 Ca 0.01 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.14 1s3s h PRO 272 Cb 0.15 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.10 1s3s h PRO 272 CO -0.09 0.29 0.50 1.49 -0.21 0.00 0.00 178.00 179.98 1s3s h GLU 273 N 0.46 0.90 0.20 1.05 4.57 -1.92 -0.43 114.58 119.42 1s3s h GLU 273 Ca 0.61 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.73 1s3s h GLU 273 Cb 1.20 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 1s3s h GLU 273 CO -0.52 0.60 -0.10 0.82 -1.18 0.00 0.00 179.01 178.63 1s3s h ILE 274 N 0.93 0.80 0.00 2.32 1.08 -0.53 -3.17 117.51 118.95 1s3s h ILE 274 Ca 0.35 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 1s3s h ILE 274 Cb 0.13 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1s3s h ILE 274 CO -0.16 0.19 0.00 0.23 -0.69 0.00 0.00 178.15 177.72 1s3s n MET 275 N -4.98 0.46 -0.03 2.37 2.81 -0.53 -1.92 117.12 115.29 1s3s n MET 275 Ca -0.08 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.79 1s3s n MET 275 Cb 0.26 -1.26 -0.13 0.00 -0.71 0.00 0.00 33.22 31.38 1s3s n MET 275 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1s3s n SER 276 N -0.76 0.36 -3.63 7.83 3.41 -0.19 -4.97 113.62 115.68 1s3s n SER 276 Ca 0.06 0.16 -0.30 0.00 -0.26 0.00 0.00 58.87 58.52 1s3s n SER 276 Cb 0.03 0.87 0.27 0.00 -0.26 0.00 0.00 64.21 65.11 1s3s n SER 276 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1s3s s LYS 277 N -2.89 -2.10 1.04 4.33 -0.14 -0.81 -5.02 119.74 114.16 1s3s s LYS 277 Ca -0.07 0.04 -0.14 0.00 -1.36 0.00 0.00 55.97 54.44 1s3s s LYS 277 Cb 0.09 -1.48 0.21 0.00 -1.68 0.00 0.00 37.83 34.96 1s3s s LYS 277 CO 0.84 -4.31 1.12 -1.17 -0.76 0.00 0.00 175.35 171.07 1s3s s LEU 278 N -7.40 1.45 -0.10 3.17 2.96 -1.26 -4.79 118.68 112.71 1s3s s LEU 278 Ca 0.70 0.94 -0.05 0.00 -0.22 0.00 0.00 54.13 55.50 1s3s s LEU 278 Cb -0.11 -3.02 -0.19 0.00 0.50 0.00 0.00 46.19 43.37 1s3s s LEU 278 CO 0.57 -3.30 3.41 0.00 -1.32 0.00 0.00 176.35 175.71 1s3s n ALA 279 N -4.25 6.35 0.00 5.97 0.00 -1.26 -2.50 120.51 124.82 1s3s n ALA 279 Ca 0.08 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.46 1s3s n ALA 279 Cb 0.58 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1s3s n ALA 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s3s n GLY 280 N 2.12 0.08 0.24 0.00 0.00 -1.26 -4.88 105.19 101.48 1s3s n GLY 280 Ca 0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.41 1s3s n GLY 280 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s3s h GLU 281 N 0.00 0.35 0.14 1.61 4.81 -1.90 -1.78 114.58 117.82 1s3s h GLU 281 Ca 0.00 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1s3s h GLU 281 Cb 0.00 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1s3s h GLU 281 CO 0.00 0.53 -0.11 0.77 -0.73 0.00 0.00 179.01 179.47 1s3s h SER 282 N 0.32 -0.30 -0.98 1.04 0.02 -1.75 -1.74 113.55 110.16 1s3s h SER 282 Ca 0.06 0.02 0.15 0.00 -0.84 0.00 0.00 61.79 61.18 1s3s h SER 282 Cb 0.51 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.06 1s3s h SER 282 CO 0.03 -0.16 0.62 -0.33 -1.14 0.00 0.00 176.83 175.85 1s3s h GLU 283 N -0.25 0.82 -0.62 3.45 3.07 -1.85 0.34 114.58 119.53 1s3s h GLU 283 Ca -0.02 -0.05 0.12 0.00 -0.50 0.00 0.00 59.36 58.91 1s3s h GLU 283 Cb 0.21 -0.18 -0.12 0.00 -0.84 0.00 0.00 28.75 27.81 1s3s h GLU 283 CO 0.00 0.54 -0.26 1.03 -1.40 0.00 0.00 179.01 178.92 1s3s h SER 284 N 0.84 -0.92 0.73 1.42 0.87 -1.07 -1.28 113.55 114.14 1s3s h SER 284 Ca 0.52 0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 61.26 1s3s h SER 284 Cb 0.70 0.50 0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1s3s h SER 284 CO -0.29 -0.27 -0.35 0.78 -0.53 0.00 0.00 176.83 176.17 1s3s h ASN 285 N -0.10 -0.83 -0.95 6.23 -0.26 0.56 -0.17 115.58 120.06 1s3s h ASN 285 Ca 0.27 0.01 0.30 0.00 -0.56 0.00 0.00 56.30 56.31 1s3s h ASN 285 Cb 0.53 0.22 -0.18 0.00 -1.06 0.00 0.00 38.32 37.83 1s3s h ASN 285 CO -0.68 -0.49 0.15 0.18 -1.06 0.00 0.00 177.43 175.52 1s3s n LEU 286 N -5.45 0.00 0.10 1.61 4.77 -0.64 0.49 117.00 117.88 1s3s n LEU 286 Ca -0.13 1.60 -0.13 0.00 -0.03 0.00 0.00 56.01 57.32 1s3s n LEU 286 Cb 0.40 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 1s3s n LEU 286 CO 0.33 -1.66 0.54 -0.09 -1.33 0.00 0.00 177.39 175.18 1s3s h ARG 287 N 0.00 -0.28 -0.14 3.23 2.43 -1.03 -2.63 114.38 115.96 1s3s h ARG 287 Ca 0.63 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.86 1s3s h ARG 287 Cb 1.43 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 1s3s h ARG 287 CO -0.85 0.08 0.18 0.87 -1.51 0.00 0.00 179.97 178.74 1s3s h LYS 288 N -0.71 0.00 0.54 0.20 1.57 0.14 -0.97 116.57 117.34 1s3s h LYS 288 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1s3s h LYS 288 Cb 0.49 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1s3s h LYS 288 CO 0.05 0.00 -0.26 0.00 -0.57 0.00 0.00 179.45 178.67 1s3s h ALA 289 N 1.78 -0.72 -0.50 3.86 0.00 0.31 -2.46 119.26 121.53 1s3s h ALA 289 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1s3s h ALA 289 Cb 0.42 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1s3s h ALA 289 CO -0.00 -0.73 0.31 0.74 0.00 0.00 0.00 179.25 179.56 1s3s h PHE 290 N -1.07 0.64 0.28 0.00 -1.00 -1.07 -2.64 116.94 112.09 1s3s h PHE 290 Ca -0.07 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 1s3s h PHE 290 Cb 0.62 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1s3s h PHE 290 CO 0.01 0.43 -0.19 0.93 -1.61 0.00 0.00 178.31 177.88 1s3s h GLU 291 N 0.68 -0.44 0.00 1.51 5.08 -1.18 -1.71 114.58 118.52 1s3s h GLU 291 Ca 0.18 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1s3s h GLU 291 Cb -0.04 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1s3s h GLU 291 CO -0.04 -0.29 0.00 1.49 -1.00 0.00 0.00 179.01 179.17 1s3s h GLU 292 N -0.46 0.00 0.14 2.33 4.81 -1.22 -2.68 114.58 117.50 1s3s h GLU 292 Ca -0.02 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.90 1s3s h GLU 292 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1s3s h GLU 292 CO 0.01 0.00 -1.49 0.00 -0.73 0.00 0.00 179.01 176.80 1s3s h ALA 293 N 2.14 0.20 0.00 2.92 0.00 -1.07 -3.20 119.26 120.24 1s3s h ALA 293 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1s3s h ALA 293 Cb 0.31 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1s3s h ALA 293 CO 0.00 1.06 0.00 0.39 0.00 0.00 0.00 179.25 180.70 1s3s n GLU 294 N -3.50 0.19 -0.05 0.00 1.02 -0.69 -1.98 120.64 115.63 1s3s n GLU 294 Ca -0.16 0.49 -0.06 0.00 -0.02 0.00 0.00 57.16 57.42 1s3s n GLU 294 Cb 1.05 -1.91 -0.06 0.00 -0.02 0.00 0.00 31.44 30.50 1s3s n GLU 294 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1s3s h LYS 295 N 0.00 -0.02 -0.85 3.49 1.57 -1.54 -3.36 116.57 115.85 1s3s h LYS 295 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1s3s h LYS 295 Cb 0.26 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1s3s h LYS 295 CO 0.00 0.39 0.04 0.09 -0.57 0.00 0.00 179.45 179.39 1s3s n ASN 296 N -4.73 3.00 -4.73 0.86 4.13 -1.12 -4.96 115.26 107.71 1s3s n ASN 296 Ca -0.04 -2.42 -0.35 0.00 1.68 0.00 0.00 54.58 53.45 1s3s n ASN 296 Cb 0.20 -0.59 0.08 0.00 -1.54 0.00 0.00 39.78 37.94 1s3s n ASN 296 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s3s s ALA 297 N -1.67 2.21 0.21 5.41 0.00 -0.84 -4.19 121.76 122.88 1s3s s ALA 297 Ca 0.23 0.94 -0.32 0.00 0.00 0.00 0.00 51.96 52.81 1s3s s ALA 297 Cb 0.17 -3.48 -0.12 0.00 0.00 0.00 0.00 23.12 19.69 1s3s s ALA 297 CO 0.06 -1.75 1.68 -2.30 0.00 0.00 0.00 175.76 173.45 1s3s n PRO 298 N -2.47 2.64 -4.16 0.00 -0.02 -1.26 -4.97 135.00 124.76 1s3s n PRO 298 Ca 0.14 0.95 -0.15 0.00 -2.02 0.00 0.00 63.50 62.42 1s3s n PRO 298 Cb 0.50 -2.77 -0.11 0.00 -0.02 0.00 0.00 33.50 31.09 1s3s n PRO 298 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s3s s ALA 299 N 0.97 1.07 -0.18 3.55 0.00 -1.20 -1.07 121.76 124.90 1s3s s ALA 299 Ca 0.74 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1s3s s ALA 299 Cb -0.54 0.00 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1s3s s ALA 299 CO 0.35 0.01 -0.16 0.42 0.00 0.00 0.00 175.76 176.38 1s3s s ILE 300 N -2.08 2.41 -0.36 0.00 1.01 0.37 -0.03 121.20 122.52 1s3s s ILE 300 Ca 0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 1s3s s ILE 300 Cb -0.05 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.40 1s3s s ILE 300 CO 0.01 0.51 0.20 -0.63 0.00 0.00 0.00 174.94 175.03 1s3s s ILE 301 N 1.22 4.69 -0.28 2.92 1.01 0.00 -1.25 121.20 129.51 1s3s s ILE 301 Ca 0.03 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 1s3s s ILE 301 Cb -0.14 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1s3s s ILE 301 CO -0.08 -0.15 0.26 0.12 0.00 0.00 0.00 174.94 175.08 1s3s s PHE 302 N 1.59 3.23 -0.39 3.97 5.36 -0.08 -0.54 117.98 131.13 1s3s s PHE 302 Ca 0.03 0.22 -0.11 0.00 -0.96 0.00 0.00 56.93 56.11 1s3s s PHE 302 Cb -0.18 -2.45 0.04 0.00 -0.34 0.00 0.00 43.02 40.09 1s3s s PHE 302 CO 0.07 -0.19 0.23 0.42 -1.46 0.00 0.00 175.22 174.29 1s3s s ILE 303 N 1.87 4.51 -0.04 3.12 1.01 0.68 -0.99 121.20 131.36 1s3s s ILE 303 Ca 0.10 -1.03 -0.20 0.00 0.00 0.00 0.00 60.65 59.52 1s3s s ILE 303 Cb -0.16 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1s3s s ILE 303 CO 0.11 -0.33 0.56 -0.62 0.00 0.00 0.00 174.94 174.66 1s3s s ASP 304 N 1.77 6.89 -0.87 3.58 2.15 -0.11 -2.04 116.67 128.02 1s3s s ASP 304 Ca 0.02 1.06 -0.01 0.00 0.43 0.00 0.00 52.55 54.05 1s3s s ASP 304 Cb -0.21 -2.34 -0.01 0.00 -0.30 0.00 0.00 42.92 40.06 1s3s s ASP 304 CO 0.05 0.06 0.73 -0.62 -0.17 0.00 0.00 175.17 175.23 1s3s n GLU 305 N 3.05 -4.08 0.24 4.34 1.02 -1.23 0.02 120.64 124.00 1s3s n GLU 305 Ca -0.07 0.64 0.12 0.00 -0.02 0.00 0.00 57.16 57.83 1s3s n GLU 305 Cb 0.51 -4.96 0.72 0.00 -0.02 0.00 0.00 31.44 27.70 1s3s n GLU 305 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1s3s h LEU 306 N -1.26 0.00 0.00 -4.62 5.85 -1.61 -0.31 115.31 113.36 1s3s h LEU 306 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1s3s h LEU 306 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1s3s h LEU 306 CO 0.36 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.56 1s3s n ASP 307 N -4.31 0.00 0.03 1.25 5.68 -1.26 -0.97 116.55 116.97 1s3s n ASP 307 Ca -0.01 0.47 -0.04 0.00 -0.50 0.00 0.00 54.79 54.71 1s3s n ASP 307 Cb 0.16 -0.48 -0.10 0.00 -1.14 0.00 0.00 41.12 39.56 1s3s n ASP 307 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s3s h ALA 308 N 2.21 0.64 0.00 2.12 0.00 -1.41 -3.25 119.26 119.57 1s3s h ALA 308 Ca 0.00 -1.03 -0.28 0.00 0.00 0.00 0.00 54.91 53.60 1s3s h ALA 308 Cb 0.10 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1s3s h ALA 308 CO 0.00 1.18 -2.27 -0.89 0.00 0.00 0.00 179.25 177.27 1s3s n ILE 309 N -3.08 1.05 -3.17 0.00 5.41 -0.52 -4.77 119.36 114.28 1s3s n ILE 309 Ca -0.09 -0.76 -0.20 0.00 1.00 0.00 0.00 62.75 62.70 1s3s n ILE 309 Cb 0.92 -0.37 -0.04 0.00 -0.71 0.00 0.00 39.64 39.44 1s3s n ILE 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s3s n ALA 310 N -2.62 2.08 -1.41 -1.39 0.00 -0.15 -4.04 120.51 112.98 1s3s n ALA 310 Ca -0.26 -3.32 -0.31 0.00 0.00 0.00 0.00 53.44 49.55 1s3s n ALA 310 Cb 1.01 -0.89 0.07 0.00 0.00 0.00 0.00 19.45 19.65 1s3s n ALA 310 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s3s s PRO 311 N -1.72 2.60 0.78 0.00 0.04 -1.23 -1.19 135.00 134.28 1s3s s PRO 311 Ca 0.37 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.33 1s3s s PRO 311 Cb 0.26 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.85 1s3s s PRO 311 CO -0.10 -1.37 0.60 1.17 0.04 0.00 0.00 177.00 177.34 1s3s n LYS 312 N -3.30 0.18 -0.03 4.56 4.81 0.35 -3.98 118.16 120.74 1s3s n LYS 312 Ca 0.08 0.11 -0.01 0.00 -0.87 0.00 0.00 58.31 57.63 1s3s n LYS 312 Cb 0.53 -1.92 -0.01 0.00 0.02 0.00 0.00 35.03 33.65 1s3s n LYS 312 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1s3s n ARG 313 N -1.25 -0.03 0.13 1.64 1.85 -1.26 -0.22 116.66 117.51 1s3s n ARG 313 Ca 0.10 0.32 0.11 0.00 -1.00 0.00 0.00 57.85 57.38 1s3s n ARG 313 Cb 0.51 -0.47 0.50 0.00 -1.05 0.00 0.00 32.46 31.94 1s3s n ARG 313 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1s3s n GLU 314 N -2.80 0.17 0.25 2.89 1.02 -1.26 -2.97 120.64 117.95 1s3s n GLU 314 Ca 0.00 0.47 0.16 0.00 -0.02 0.00 0.00 57.16 57.77 1s3s n GLU 314 Cb 0.02 -1.87 0.57 0.00 -0.02 0.00 0.00 31.44 30.14 1s3s n GLU 314 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1s3s h LYS 315 N 0.00 0.00 -6.92 3.49 1.79 -0.90 -3.45 116.57 110.58 1s3s h LYS 315 Ca 0.00 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.01 1s3s h LYS 315 Cb 0.27 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1s3s h LYS 315 CO 0.00 0.00 0.31 0.99 -1.08 0.00 0.00 179.45 179.67 1s3s s THR 316 N -3.55 4.34 -0.02 -0.16 2.01 -1.16 -5.01 115.64 112.10 1s3s s THR 316 Ca 0.03 1.60 -0.00 0.00 0.31 0.00 0.00 61.69 63.62 1s3s s THR 316 Cb 0.08 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1s3s s THR 316 CO 0.56 -0.06 -0.02 1.57 -0.69 0.00 0.00 174.62 175.98 1s3s n HIS 317 N 0.03 0.00 -4.20 4.92 -0.00 -1.26 -5.11 115.22 109.60 1s3s n HIS 317 Ca 0.04 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.97 1s3s n HIS 317 Cb 0.52 -0.06 -0.08 0.00 -0.12 0.00 0.00 29.99 30.25 1s3s n HIS 317 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1s3s s GLY 318 N -4.31 2.34 0.27 1.57 0.00 -1.26 -5.03 107.32 100.91 1s3s s GLY 318 Ca -0.02 -2.13 -0.02 0.00 0.00 0.00 0.00 44.72 42.55 1s3s s GLY 318 CO 0.04 -1.94 1.80 0.83 0.00 0.00 0.00 173.10 173.83 1s3s h GLU 319 N 1.49 0.84 -0.09 2.90 5.08 -1.99 -2.85 114.58 119.97 1s3s h GLU 319 Ca -0.43 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1s3s h GLU 319 Cb 1.25 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1s3s h GLU 319 CO 0.71 0.78 0.05 0.28 -1.00 0.00 0.00 179.01 179.83 1s3s h VAL 320 N 0.81 1.09 -0.86 3.13 2.07 -1.97 0.32 116.25 120.83 1s3s h VAL 320 Ca 0.17 -0.25 0.14 0.00 0.82 0.00 0.00 66.70 67.59 1s3s h VAL 320 Cb 0.33 1.09 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 1s3s h VAL 320 CO 0.00 0.08 0.46 -0.33 0.02 0.00 0.00 177.57 177.80 1s3s h GLU 321 N 0.05 0.65 -0.07 1.57 5.08 -1.94 -1.31 114.58 118.60 1s3s h GLU 321 Ca 0.03 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1s3s h GLU 321 Cb 0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1s3s h GLU 321 CO -0.00 0.43 -0.70 -0.09 -1.00 0.00 0.00 179.01 177.65 1s3s h ARG 322 N 0.67 0.34 -0.30 2.33 9.65 -1.17 -2.98 114.38 122.92 1s3s h ARG 322 Ca 0.46 -0.27 -0.04 0.00 -1.10 0.00 0.00 59.98 59.03 1s3s h ARG 322 Cb 0.62 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 1s3s h ARG 322 CO -0.34 0.91 -0.00 -0.09 2.80 0.00 0.00 179.97 183.24 1s3s h ARG 323 N 0.24 0.45 -0.03 0.20 2.43 0.75 -2.59 114.38 115.84 1s3s h ARG 323 Ca -0.02 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 58.93 1s3s h ARG 323 Cb 1.25 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1s3s h ARG 323 CO 0.11 0.49 -0.49 0.82 -1.51 0.00 0.00 179.97 179.39 1s3s h ILE 324 N 0.44 1.43 -0.64 1.20 2.04 -1.37 -1.64 117.51 118.97 1s3s h ILE 324 Ca 0.10 -1.96 0.08 0.00 1.00 0.00 0.00 64.86 64.07 1s3s h ILE 324 Cb 0.30 2.52 -0.06 0.00 -0.74 0.00 0.00 36.82 38.83 1s3s h ILE 324 CO 0.01 0.57 0.31 0.58 0.00 0.00 0.00 178.15 179.61 1s3s h VAL 325 N -0.14 0.87 -0.33 1.67 2.07 -1.46 -0.11 116.25 118.83 1s3s h VAL 325 Ca -0.05 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1s3s h VAL 325 Cb 1.19 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1s3s h VAL 325 CO 0.10 0.10 0.15 0.28 0.02 0.00 0.00 177.57 178.22 1s3s h SER 326 N 0.55 0.44 -0.74 0.57 0.02 -1.50 -1.70 113.55 111.19 1s3s h SER 326 Ca 0.30 -0.14 0.11 0.00 -0.84 0.00 0.00 61.79 61.22 1s3s h SER 326 Cb 0.29 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 62.64 1s3s h SER 326 CO -0.24 0.46 0.36 -0.61 -1.14 0.00 0.00 176.83 175.66 1s3s h GLN 327 N 0.39 0.57 -0.55 3.45 5.75 -0.34 -0.88 115.11 123.51 1s3s h GLN 327 Ca 0.11 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.50 1s3s h GLN 327 Cb 0.14 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1s3s h GLN 327 CO -0.01 0.38 0.05 1.25 -2.65 0.00 0.00 178.83 177.85 1s3s h LEU 328 N 0.59 0.90 -0.91 -2.39 5.85 -0.64 -2.16 115.31 116.54 1s3s h LEU 328 Ca 0.38 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1s3s h LEU 328 Cb 0.44 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1s3s h LEU 328 CO -0.30 0.96 0.60 -0.07 -0.34 0.00 0.00 178.44 179.28 1s3s h LEU 329 N 0.81 1.06 0.43 2.25 3.38 -0.46 -2.58 115.31 120.20 1s3s h LEU 329 Ca 0.16 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1s3s h LEU 329 Cb 0.46 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1s3s h LEU 329 CO 0.02 0.78 -0.21 0.74 0.09 0.00 0.00 178.44 179.86 1s3s h THR 330 N 1.24 0.54 -1.03 0.22 2.02 -0.94 -2.33 112.91 112.64 1s3s h THR 330 Ca 0.33 -0.35 0.26 0.00 0.77 0.00 0.00 66.41 67.42 1s3s h THR 330 Cb -0.13 0.70 -0.10 0.00 -1.74 0.00 0.00 68.15 66.89 1s3s h THR 330 CO -0.07 0.06 0.66 -0.07 0.37 0.00 0.00 175.52 176.47 1s3s h LEU 331 N -0.79 0.48 0.42 2.58 3.38 -1.30 0.17 115.31 120.24 1s3s h LEU 331 Ca -0.06 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1s3s h LEU 331 Cb 0.54 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1s3s h LEU 331 CO 0.10 0.10 -0.20 0.24 0.09 0.00 0.00 178.44 178.77 1s3s h MET 332 N 0.43 -0.55 -0.54 1.13 2.86 -1.18 -2.62 114.93 114.47 1s3s h MET 332 Ca 0.59 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 58.30 1s3s h MET 332 Cb 1.44 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 33.19 1s3s h MET 332 CO -0.31 -0.32 0.36 -0.44 1.06 0.00 0.00 176.91 177.26 1s3s h ASP 333 N -0.66 0.55 0.70 1.22 3.32 -0.38 -0.69 116.42 120.48 1s3s h ASP 333 Ca -0.06 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1s3s h ASP 333 Cb 0.48 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1s3s h ASP 333 CO 0.10 0.38 0.00 1.23 -1.72 0.00 0.00 179.24 179.23 1s3s h GLY 334 N 0.64 0.00 -6.93 2.75 0.00 -0.53 -3.42 103.07 95.58 1s3s h GLY 334 Ca 0.21 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.96 1s3s h GLY 334 CO -0.05 0.00 1.36 1.08 0.00 0.00 0.00 176.54 178.92 1s3s s LEU 335 N -5.58 3.48 0.51 3.11 1.43 -0.27 -4.97 118.68 116.39 1s3s s LEU 335 Ca 0.01 1.49 0.01 0.00 -1.03 0.00 0.00 54.13 54.61 1s3s s LEU 335 Cb 0.09 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.85 1s3s s LEU 335 CO 0.45 -1.82 0.74 -0.54 0.23 0.00 0.00 176.35 175.41 1s3s s LYS 336 N 5.95 2.74 0.38 1.70 1.02 -1.26 -4.98 119.74 125.29 1s3s s LYS 336 Ca 0.87 -0.66 0.06 0.00 0.02 0.00 0.00 55.97 56.26 1s3s s LYS 336 Cb -0.26 -2.51 0.77 0.00 -0.52 0.00 0.00 37.83 35.32 1s3s s LYS 336 CO 0.34 -0.55 2.00 -0.56 -0.92 0.00 0.00 175.35 175.66 1s3s h GLN 337 N 0.18 0.67 -6.47 1.68 3.07 -1.99 -3.40 115.11 108.86 1s3s h GLN 337 Ca -0.44 -0.04 -0.53 0.00 0.09 0.00 0.00 58.65 57.73 1s3s h GLN 337 Cb 1.28 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 28.67 1s3s h GLN 337 CO 0.54 0.45 0.37 1.03 0.09 0.00 0.00 178.83 181.31 1s3s s ARG 338 N -5.61 4.61 0.00 0.06 0.52 -1.26 -3.51 118.95 113.76 1s3s s ARG 338 Ca -0.09 1.44 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 1s3s s ARG 338 Cb 0.18 -3.43 0.00 0.00 0.52 0.00 0.00 34.95 32.22 1s3s s ARG 338 CO 0.76 0.04 0.00 0.00 0.02 0.00 0.00 175.30 176.12 1s3s n ALA 339 N 3.50 0.00 -1.68 2.13 0.00 -1.26 -4.98 120.51 118.22 1s3s n ALA 339 Ca 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 53.00 1s3s n ALA 339 Cb 0.50 -0.43 -0.05 0.00 0.00 0.00 0.00 19.45 19.48 1s3s n ALA 339 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1s3s n HIS 340 N -1.38 2.24 -3.79 0.00 1.44 -1.23 -4.80 115.22 107.69 1s3s n HIS 340 Ca 0.00 0.16 -0.13 0.00 -2.01 0.00 0.00 57.72 55.75 1s3s n HIS 340 Cb 0.43 -2.59 -0.12 0.00 0.12 0.00 0.00 29.99 27.82 1s3s n HIS 340 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1s3s s VAL 341 N 3.01 -0.00 -0.13 0.61 -7.23 -1.26 -3.23 120.40 112.17 1s3s s VAL 341 Ca 0.89 0.01 -0.03 0.00 -1.81 0.00 0.00 61.98 61.05 1s3s s VAL 341 Cb -0.75 -0.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 1s3s s VAL 341 CO 0.50 0.01 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.66 1s3s s ILE 342 N 0.22 4.22 -0.27 -0.62 1.01 0.95 -4.91 121.20 121.80 1s3s s ILE 342 Ca -0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 1s3s s ILE 342 Cb -0.02 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1s3s s ILE 342 CO -0.00 0.54 0.16 -0.69 0.00 0.00 0.00 174.94 174.95 1s3s s VAL 343 N -0.24 5.09 -0.05 2.92 1.01 -0.55 -0.82 120.40 127.76 1s3s s VAL 343 Ca 0.05 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1s3s s VAL 343 Cb -0.12 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1s3s s VAL 343 CO 0.02 0.28 -0.15 -0.04 0.00 0.00 0.00 175.10 175.21 1s3s s MET 344 N 1.66 2.53 -0.03 2.72 -1.94 0.30 0.21 119.30 124.74 1s3s s MET 344 Ca 0.07 -0.70 -0.04 0.00 -1.71 0.00 0.00 55.69 53.31 1s3s s MET 344 Cb -0.16 -2.38 0.01 0.00 2.01 0.00 0.00 34.83 34.32 1s3s s MET 344 CO 0.09 0.60 0.10 0.00 -0.01 0.00 0.00 175.02 175.80 1s3s s ALA 345 N -0.68 -0.24 0.11 3.03 0.00 -0.73 -0.23 121.76 123.01 1s3s s ALA 345 Ca 0.10 0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.39 1s3s s ALA 345 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1s3s s ALA 345 CO 0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 175.76 175.61 1s3s s ALA 346 N -0.03 2.93 0.22 0.00 0.00 -0.87 -0.75 121.76 123.27 1s3s s ALA 346 Ca -0.01 -1.27 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 1s3s s ALA 346 Cb -0.01 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1s3s s ALA 346 CO 0.00 0.63 0.53 -0.08 0.00 0.00 0.00 175.76 176.83 1s3s s THR 347 N -1.25 0.02 -0.73 0.00 -1.32 -0.69 -2.20 115.64 109.47 1s3s s THR 347 Ca 0.21 -1.00 0.25 0.00 -1.21 0.00 0.00 61.69 59.94 1s3s s THR 347 Cb -0.11 -1.81 0.17 0.00 -1.51 0.00 0.00 72.50 69.24 1s3s s THR 347 CO 0.14 -0.08 1.57 0.59 -2.21 0.00 0.00 174.62 174.63 1s3s n ASN 348 N -0.36 0.69 0.00 8.08 5.03 -1.26 -3.31 115.26 124.13 1s3s n ASN 348 Ca -0.07 0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.71 1s3s n ASN 348 Cb 0.62 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 1s3s n ASN 348 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1s3s n ARG 349 N -2.10 0.00 -0.12 3.52 3.00 -1.26 -3.89 116.66 115.81 1s3s n ARG 349 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.79 1s3s n ARG 349 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.81 1s3s n ARG 349 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1s3s h PRO 350 N 0.00 -0.26 -0.69 -0.14 0.11 -1.97 -2.30 132.00 126.74 1s3s h PRO 350 Ca 0.00 0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.32 1s3s h PRO 350 Cb 0.00 0.06 -0.13 0.00 0.11 0.00 0.00 31.00 31.04 1s3s h PRO 350 CO 0.00 -0.18 0.04 0.09 -0.21 0.00 0.00 178.00 177.74 1s3s n ASN 351 N -4.69 -0.06 0.00 -2.05 3.02 -1.26 -1.88 115.26 108.34 1s3s n ASN 351 Ca -0.02 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.70 1s3s n ASN 351 Cb 0.25 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1s3s n ASN 351 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1s3s n SER 352 N -4.91 0.00 -4.38 6.41 7.64 -0.86 -4.29 113.62 113.23 1s3s n SER 352 Ca 0.17 0.83 -0.32 0.00 1.01 0.00 0.00 58.87 60.56 1s3s n SER 352 Cb 0.56 -0.33 0.16 0.00 -1.01 0.00 0.00 64.21 63.58 1s3s n SER 352 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1s3s n ILE 353 N -2.26 0.00 -3.07 0.44 5.41 -0.79 0.13 119.36 119.23 1s3s n ILE 353 Ca 0.00 -0.25 -0.41 0.00 1.00 0.00 0.00 62.75 63.09 1s3s n ILE 353 Cb 0.00 -0.67 -0.06 0.00 -0.71 0.00 0.00 39.64 38.20 1s3s n ILE 353 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1s3s s ASP 354 N -2.01 6.54 0.48 4.38 -1.08 -0.34 -2.83 116.67 121.81 1s3s s ASP 354 Ca 0.58 0.50 0.40 0.00 -0.52 0.00 0.00 52.55 53.51 1s3s s ASP 354 Cb -0.18 -2.35 1.54 0.00 -1.46 0.00 0.00 42.92 40.47 1s3s s ASP 354 CO 0.66 -0.51 1.48 -2.65 0.52 0.00 0.00 175.17 174.67 1s3s n PRO 355 N 5.95 -0.02 0.04 4.34 -0.02 -1.26 -0.21 135.00 143.83 1s3s n PRO 355 Ca 0.00 1.10 0.09 0.00 -2.02 0.00 0.00 63.50 62.67 1s3s n PRO 355 Cb 0.49 -2.36 0.52 0.00 -0.02 0.00 0.00 33.50 32.13 1s3s n PRO 355 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s3s h ALA 356 N 1.21 1.93 0.00 3.55 0.00 -1.99 -1.64 119.26 122.33 1s3s h ALA 356 Ca 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.76 1s3s h ALA 356 Cb 3.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.87 1s3s h ALA 356 CO -0.22 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1s3s n LEU 357 N -4.48 0.24 0.04 0.00 4.77 0.71 -2.44 117.00 115.85 1s3s n LEU 357 Ca 0.04 0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 56.52 1s3s n LEU 357 Cb 0.20 -0.56 -0.13 0.00 -2.33 0.00 0.00 43.42 40.60 1s3s n LEU 357 CO 0.35 -0.48 -0.01 0.03 -1.33 0.00 0.00 177.39 175.95 1s3s h ARG 358 N 0.00 0.01 -5.24 3.23 2.47 -1.47 0.06 114.38 113.44 1s3s h ARG 358 Ca 0.00 -0.02 -0.60 0.00 -1.26 0.00 0.00 59.98 58.10 1s3s h ARG 358 Cb 0.19 0.01 0.09 0.00 -1.65 0.00 0.00 29.97 28.61 1s3s h ARG 358 CO 0.00 0.90 -0.39 0.54 0.56 0.00 0.00 179.97 181.58 1s3s n ARG 359 N -3.29 0.00 -1.47 0.04 1.74 -1.02 -3.75 116.66 108.90 1s3s n ARG 359 Ca -0.04 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.57 1s3s n ARG 359 Cb 0.97 -0.94 -0.07 0.00 -1.02 0.00 0.00 32.46 31.40 1s3s n ARG 359 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1s3s n PHE 360 N 0.19 1.42 0.00 -1.55 7.35 -1.26 0.27 117.46 123.88 1s3s n PHE 360 Ca 0.16 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 1s3s n PHE 360 Cb 0.20 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.50 1s3s n PHE 360 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1s3s n GLY 361 N 6.45 1.39 0.00 7.13 0.00 -1.26 -5.07 105.19 113.83 1s3s n GLY 361 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1s3s n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3s n ARG 362 N 0.00 0.00 -1.66 1.61 1.74 0.14 -4.76 116.66 113.73 1s3s n ARG 362 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1s3s n ARG 362 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1s3s n ARG 362 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1s3s n PHE 363 N 0.00 3.35 1.37 -1.55 3.72 0.01 -3.30 117.46 121.06 1s3s n PHE 363 Ca 0.00 -2.99 0.13 0.00 -0.05 0.00 0.00 57.45 54.53 1s3s n PHE 363 Cb 0.00 -2.55 0.46 0.00 -0.94 0.00 0.00 39.48 36.45 1s3s n PHE 363 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1s3s n ASP 364 N 5.70 1.63 -4.10 4.37 5.68 -1.19 -4.44 116.55 124.20 1s3s n ASP 364 Ca 0.56 -1.59 -0.33 0.00 -0.50 0.00 0.00 54.79 52.93 1s3s n ASP 364 Cb 0.36 -0.04 -0.15 0.00 -1.14 0.00 0.00 41.12 40.15 1s3s n ASP 364 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1s3s s ARG 365 N -1.92 2.41 -0.14 0.11 1.81 -0.96 -5.06 118.95 115.20 1s3s s ARG 365 Ca 0.36 -1.24 0.02 0.00 -1.72 0.00 0.00 55.73 53.14 1s3s s ARG 365 Cb 0.20 -2.89 0.00 0.00 -0.45 0.00 0.00 34.95 31.81 1s3s s ARG 365 CO 0.31 -0.52 -0.19 -1.21 -0.68 0.00 0.00 175.30 173.01 1s3s s GLU 366 N 1.16 3.12 -0.21 3.54 2.02 -1.26 0.13 118.70 127.20 1s3s s GLU 366 Ca -0.06 -0.81 -0.00 0.00 0.02 0.00 0.00 54.97 54.12 1s3s s GLU 366 Cb -0.19 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.55 1s3s s GLU 366 CO -0.06 0.02 -0.13 0.08 0.02 0.00 0.00 175.26 175.19 1s3s s VAL 367 N 0.77 2.50 -0.23 2.63 1.01 0.61 -4.92 120.40 122.77 1s3s s VAL 367 Ca -0.07 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 1s3s s VAL 367 Cb -0.16 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1s3s s VAL 367 CO -0.00 0.39 0.58 -0.62 0.00 0.00 0.00 175.10 175.45 1s3s s ASP 368 N 1.32 6.57 -0.58 3.32 2.15 -1.26 -1.07 116.67 127.10 1s3s s ASP 368 Ca 0.03 0.69 -0.00 0.00 0.43 0.00 0.00 52.55 53.69 1s3s s ASP 368 Cb -0.15 -2.32 0.15 0.00 -0.30 0.00 0.00 42.92 40.31 1s3s s ASP 368 CO -0.09 -0.28 0.37 -0.63 -0.17 0.00 0.00 175.17 174.37 1s3s s ILE 369 N 2.10 3.29 0.00 4.11 1.01 -1.16 -4.90 121.20 125.66 1s3s s ILE 369 Ca 0.25 -3.08 0.00 0.00 0.00 0.00 0.00 60.65 57.82 1s3s s ILE 369 Cb -0.16 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1s3s s ILE 369 CO 0.09 -0.84 0.00 0.61 0.00 0.00 0.00 174.94 174.80 1s3s n GLY 370 N 3.36 -2.30 3.85 6.18 0.00 -1.26 -4.34 105.19 110.68 1s3s n GLY 370 Ca 0.07 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 1s3s n GLY 370 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s3s s ILE 371 N -0.37 4.69 0.78 -0.61 -4.36 -1.26 -4.91 121.20 115.16 1s3s s ILE 371 Ca 0.00 0.92 -0.12 0.00 -0.26 0.00 0.00 60.65 61.20 1s3s s ILE 371 Cb 0.00 -3.61 0.06 0.00 1.25 0.00 0.00 42.46 40.16 1s3s s ILE 371 CO 0.00 -0.20 1.12 -2.84 0.24 0.00 0.00 174.94 173.26 1s3s s PRO 372 N -3.02 2.07 0.50 0.37 0.02 -1.26 -5.07 135.00 128.61 1s3s s PRO 372 Ca 0.54 1.34 0.07 0.00 0.02 0.00 0.00 61.00 62.97 1s3s s PRO 372 Cb -0.10 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.62 1s3s s PRO 372 CO 0.18 -1.80 0.58 -0.40 -0.33 0.00 0.00 177.00 175.22 1s3s n ASP 373 N -3.42 2.08 -0.31 2.53 3.85 -1.26 -4.78 116.55 115.24 1s3s n ASP 373 Ca 0.10 -2.45 0.11 0.00 -0.71 0.00 0.00 54.79 51.85 1s3s n ASP 373 Cb 0.52 -0.25 0.34 0.00 -1.35 0.00 0.00 41.12 40.38 1s3s n ASP 373 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1s3s h ALA 374 N 0.35 1.75 0.07 2.12 0.00 -1.94 0.32 119.26 121.94 1s3s h ALA 374 Ca -0.26 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1s3s h ALA 374 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1s3s h ALA 374 CO 0.39 -0.02 -0.03 1.15 0.00 0.00 0.00 179.25 180.73 1s3s h THR 375 N 0.77 1.15 -0.20 0.00 2.02 -1.94 -2.71 112.91 111.99 1s3s h THR 375 Ca 0.49 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1s3s h THR 375 Cb 0.73 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1s3s h THR 375 CO -0.25 0.20 0.12 1.23 0.37 0.00 0.00 175.52 177.19 1s3s h GLY 376 N -0.47 0.29 0.25 2.16 0.00 -1.74 -2.56 103.07 101.01 1s3s h GLY 376 Ca -0.01 -0.12 0.13 0.00 0.00 0.00 0.00 47.33 47.33 1s3s h GLY 376 CO 0.02 0.12 0.35 3.21 0.00 0.00 0.00 176.54 180.23 1s3s h ARG 377 N 0.24 0.51 0.07 4.80 3.08 -0.42 -1.62 114.38 121.05 1s3s h ARG 377 Ca 0.07 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1s3s h ARG 377 Cb 0.02 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 1s3s h ARG 377 CO -0.01 0.34 -0.43 1.25 -1.07 0.00 0.00 179.97 180.04 1s3s h LEU 378 N 0.53 -1.30 -0.43 3.04 5.85 -1.12 -1.63 115.31 120.25 1s3s h LEU 378 Ca 0.41 0.15 0.07 0.00 0.84 0.00 0.00 57.88 59.35 1s3s h LEU 378 Cb 0.56 0.49 -0.09 0.00 0.37 0.00 0.00 40.66 41.99 1s3s h LEU 378 CO -0.36 -0.49 -0.43 -0.33 -0.34 0.00 0.00 178.44 176.49 1s3s h GLU 379 N -0.64 -0.30 -0.78 1.25 5.08 -1.10 -1.19 114.58 116.90 1s3s h GLU 379 Ca 0.03 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.55 1s3s h GLU 379 Cb 0.68 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.90 1s3s h GLU 379 CO -0.28 -0.20 0.33 0.82 -1.00 0.00 0.00 179.01 178.69 1s3s h ILE 380 N -0.31 0.67 -0.28 3.13 2.04 -1.19 -0.43 117.51 121.13 1s3s h ILE 380 Ca 0.14 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1s3s h ILE 380 Cb 0.58 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1s3s h ILE 380 CO -0.59 0.09 0.03 -0.07 0.00 0.00 0.00 178.15 177.60 1s3s h LEU 381 N 0.48 0.38 -0.39 1.44 3.38 -0.25 -1.79 115.31 118.57 1s3s h LEU 381 Ca 0.43 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 58.16 1s3s h LEU 381 Cb 0.64 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1s3s h LEU 381 CO -0.40 0.43 -0.75 1.56 0.09 0.00 0.00 178.44 179.37 1s3s h GLN 382 N 0.41 0.37 -0.07 1.13 4.20 -0.39 -3.04 115.11 117.72 1s3s h GLN 382 Ca 0.10 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.43 1s3s h GLN 382 Cb 0.23 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1s3s h GLN 382 CO 0.00 0.97 -0.23 0.82 -0.67 0.00 0.00 178.83 179.72 1s3s h ILE 383 N 0.25 1.20 -0.76 2.54 2.04 -0.56 -2.34 117.51 119.88 1s3s h ILE 383 Ca -0.03 -0.94 -0.26 0.00 1.00 0.00 0.00 64.86 64.62 1s3s h ILE 383 Cb 1.34 1.41 -0.15 0.00 -0.74 0.00 0.00 36.82 38.67 1s3s h ILE 383 CO 0.13 0.28 0.33 1.41 0.00 0.00 0.00 178.15 180.30 1s3s n HIS 384 N -4.22 2.50 -0.43 1.37 8.25 -0.74 -3.85 115.22 118.09 1s3s n HIS 384 Ca -0.01 -1.27 0.00 0.00 -0.26 0.00 0.00 57.72 56.18 1s3s n HIS 384 Cb 0.32 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1s3s n HIS 384 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1s3s n THR 385 N -0.27 0.00 0.26 1.59 -2.24 -1.08 -4.86 114.28 107.68 1s3s n THR 385 Ca 0.43 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.36 1s3s n THR 385 Cb 1.41 1.20 0.73 0.00 -2.10 0.00 0.00 70.33 71.57 1s3s n THR 385 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1s3s h LYS 386 N 0.00 0.00 -0.02 -0.78 2.10 -1.53 0.25 116.57 116.59 1s3s h LYS 386 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1s3s h LYS 386 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1s3s h LYS 386 CO 0.00 0.00 -0.33 0.09 -2.00 0.00 0.00 179.45 177.21 1s3s n ASN 387 N -3.07 2.24 -4.69 7.07 3.02 -1.26 -4.56 115.26 114.01 1s3s n ASN 387 Ca 0.01 -1.62 -0.24 0.00 -0.03 0.00 0.00 54.58 52.70 1s3s n ASN 387 Cb 0.51 0.34 -0.07 0.00 -0.61 0.00 0.00 39.78 39.95 1s3s n ASN 387 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s3s s MET 388 N -2.26 2.48 -0.58 3.52 0.23 0.89 -0.02 119.30 123.57 1s3s s MET 388 Ca 0.20 -1.22 -0.22 0.00 -1.03 0.00 0.00 55.69 53.43 1s3s s MET 388 Cb 0.18 -2.33 0.06 0.00 -1.53 0.00 0.00 34.83 31.21 1s3s s MET 388 CO 0.47 0.41 0.85 0.21 -2.03 0.00 0.00 175.02 174.94 1s3s s LYS 389 N -3.44 3.18 0.12 3.16 2.20 -1.26 -4.97 119.74 118.72 1s3s s LYS 389 Ca 0.30 -0.70 -0.24 0.00 -0.36 0.00 0.00 55.97 54.97 1s3s s LYS 389 Cb -0.08 -4.14 -0.07 0.00 -1.51 0.00 0.00 37.83 32.03 1s3s s LYS 389 CO 0.21 -1.55 0.73 -0.51 -0.36 0.00 0.00 175.35 173.87 1s3s s LEU 390 N 3.57 4.55 0.48 5.43 1.43 -1.26 -1.41 118.68 131.46 1s3s s LEU 390 Ca 0.22 1.52 -0.20 0.00 -1.03 0.00 0.00 54.13 54.64 1s3s s LEU 390 Cb -0.17 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.77 1s3s s LEU 390 CO 0.13 0.17 1.04 0.00 0.23 0.00 0.00 176.35 177.92 1s3s s ALA 391 N -0.86 2.89 0.65 4.21 0.00 -0.55 -4.86 121.76 123.23 1s3s s ALA 391 Ca 0.35 0.61 0.44 0.00 0.00 0.00 0.00 51.96 53.35 1s3s s ALA 391 Cb -0.22 -3.25 2.40 0.00 0.00 0.00 0.00 23.12 22.05 1s3s s ALA 391 CO 0.24 -0.29 2.37 -0.44 0.00 0.00 0.00 175.76 177.63 1s3s h ASP 392 N 1.61 0.00 -0.04 0.00 5.19 -1.96 0.19 116.42 121.41 1s3s h ASP 392 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1s3s h ASP 392 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1s3s h ASP 392 CO 0.59 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.81 1s3s n ASP 393 N -3.12 0.35 -4.59 6.45 5.75 -1.26 -4.77 116.55 115.37 1s3s n ASP 393 Ca -0.03 -1.62 -0.41 0.00 -0.01 0.00 0.00 54.79 52.71 1s3s n ASP 393 Cb 0.08 -0.03 -0.07 0.00 -1.03 0.00 0.00 41.12 40.07 1s3s n ASP 393 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1s3s s VAL 394 N -1.94 4.94 -0.56 2.12 1.01 0.68 -4.11 120.40 122.54 1s3s s VAL 394 Ca 0.22 0.74 -0.00 0.00 0.00 0.00 0.00 61.98 62.93 1s3s s VAL 394 Cb 0.11 -4.00 0.14 0.00 0.00 0.00 0.00 36.38 32.63 1s3s s VAL 394 CO 0.17 -0.18 0.35 -0.62 0.00 0.00 0.00 175.10 174.82 1s3s s ASP 395 N 1.69 4.94 0.23 3.32 -1.08 -1.26 -4.95 116.67 119.55 1s3s s ASP 395 Ca 0.24 -2.80 -0.07 0.00 -0.52 0.00 0.00 52.55 49.40 1s3s s ASP 395 Cb -0.15 -1.78 0.21 0.00 -1.46 0.00 0.00 42.92 39.74 1s3s s ASP 395 CO 0.13 -0.34 1.81 -0.07 0.52 0.00 0.00 175.17 177.21 1s3s h LEU 396 N 6.98 1.08 -1.56 -1.34 3.38 -1.98 -1.92 115.31 119.94 1s3s h LEU 396 Ca -0.05 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.89 1s3s h LEU 396 Cb 0.94 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1s3s h LEU 396 CO 0.69 0.93 0.45 -0.08 0.09 0.00 0.00 178.44 180.53 1s3s h GLU 397 N 1.16 0.47 -0.12 1.13 4.81 -1.95 0.98 114.58 121.05 1s3s h GLU 397 Ca 0.27 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1s3s h GLU 397 Cb 0.17 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1s3s h GLU 397 CO -0.03 0.31 -0.06 0.37 -0.73 0.00 0.00 179.01 178.87 1s3s h GLN 398 N 0.48 0.26 -0.91 1.92 5.75 -1.79 -1.69 115.11 119.13 1s3s h GLN 398 Ca 0.32 -0.11 0.06 0.00 -0.15 0.00 0.00 58.65 58.77 1s3s h GLN 398 Cb 0.60 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.08 1s3s h GLN 398 CO -0.10 0.60 0.58 0.28 -2.65 0.00 0.00 178.83 177.54 1s3s h VAL 399 N -0.10 1.06 -0.49 2.39 2.07 -0.27 -0.99 116.25 119.92 1s3s h VAL 399 Ca 0.03 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1s3s h VAL 399 Cb 0.53 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1s3s h VAL 399 CO 0.02 0.19 0.29 0.00 0.02 0.00 0.00 177.57 178.09 1s3s h ALA 400 N 1.42 0.63 0.00 1.67 0.00 0.98 -2.76 119.26 121.20 1s3s h ALA 400 Ca 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1s3s h ALA 400 Cb 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1s3s h ALA 400 CO -0.17 0.13 -0.01 -0.91 0.00 0.00 0.00 179.25 178.29 1s3s h ASN 401 N 0.66 0.00 -0.55 0.00 2.35 -0.22 -2.97 115.58 114.85 1s3s h ASN 401 Ca 0.18 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.59 1s3s h ASN 401 Cb 0.01 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 38.18 1s3s h ASN 401 CO -0.03 0.01 -0.06 -1.84 -1.65 0.00 0.00 177.43 173.85 1s3s n GLU 402 N -3.13 2.30 -2.56 0.81 0.28 -1.04 -4.59 120.64 112.71 1s3s n GLU 402 Ca -0.02 -3.39 -0.12 0.00 -0.16 0.00 0.00 57.16 53.47 1s3s n GLU 402 Cb 0.14 -1.99 0.03 0.00 1.43 0.00 0.00 31.44 31.05 1s3s n GLU 402 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1s3s n THR 403 N -1.02 1.64 0.00 3.84 -2.24 -1.12 -5.02 114.28 110.36 1s3s n THR 403 Ca 0.41 -3.56 0.00 0.00 -2.27 0.00 0.00 64.05 58.62 1s3s n THR 403 Cb 1.01 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1s3s n THR 403 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1s3s n HIS 404 N -0.46 0.00 -0.14 4.78 -0.00 -1.26 -2.61 115.22 115.53 1s3s n HIS 404 Ca 0.21 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.35 1s3s n HIS 404 Cb 0.82 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.71 1s3s n HIS 404 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1s3s h GLY 405 N 0.00 0.22 -0.56 1.57 0.00 -1.95 -3.46 103.07 98.90 1s3s h GLY 405 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 1s3s h GLY 405 CO 0.00 -0.20 -0.04 1.42 0.00 0.00 0.00 176.54 177.72 1s3s n HIS 406 N -5.37 -0.02 -4.47 5.60 -0.00 -1.07 -4.82 115.22 105.06 1s3s n HIS 406 Ca 0.03 0.11 -0.30 0.00 -0.00 0.00 0.00 57.72 57.56 1s3s n HIS 406 Cb 0.28 -0.21 -0.07 0.00 -0.00 0.00 0.00 29.99 29.99 1s3s n HIS 406 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1s3s s VAL 407 N -0.08 1.54 0.21 1.59 -7.23 -1.26 -4.43 120.40 110.74 1s3s s VAL 407 Ca 0.08 -1.85 -0.19 0.00 -1.81 0.00 0.00 61.98 58.21 1s3s s VAL 407 Cb -0.11 -2.39 0.19 0.00 0.56 0.00 0.00 36.38 34.63 1s3s s VAL 407 CO 0.06 0.00 1.57 1.23 -0.31 0.00 0.00 175.10 177.65 1s3s h GLY 408 N 1.29 0.01 1.35 2.32 0.00 -1.84 0.16 103.07 106.36 1s3s h GLY 408 Ca -0.42 0.46 0.03 0.00 0.00 0.00 0.00 47.33 47.39 1s3s h GLY 408 CO 0.71 -0.21 0.38 0.00 0.00 0.00 0.00 176.54 177.42 1s3s h ALA 409 N 1.20 1.68 -0.45 3.60 0.00 -1.70 0.13 119.26 123.73 1s3s h ALA 409 Ca 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1s3s h ALA 409 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1s3s h ALA 409 CO -0.82 0.26 0.17 -0.44 0.00 0.00 0.00 179.25 178.43 1s3s h ASP 410 N 0.69 0.62 -0.22 0.00 3.32 -1.00 -0.54 116.42 119.29 1s3s h ASP 410 Ca 0.23 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1s3s h ASP 410 Cb 0.06 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1s3s h ASP 410 CO -0.06 0.62 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.66 1s3s h LEU 411 N 0.58 0.69 -1.06 1.55 3.38 -0.70 0.22 115.31 119.96 1s3s h LEU 411 Ca 0.15 -0.53 0.07 0.00 0.09 0.00 0.00 57.88 57.66 1s3s h LEU 411 Cb 0.20 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1s3s h LEU 411 CO -0.01 1.08 0.63 0.00 0.09 0.00 0.00 178.44 180.23 1s3s h ALA 412 N 0.62 1.45 0.01 1.53 0.00 -0.64 0.33 119.26 122.56 1s3s h ALA 412 Ca 0.02 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1s3s h ALA 412 Cb 0.94 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.46 1s3s h ALA 412 CO 0.08 0.40 -0.92 0.00 0.00 0.00 0.00 179.25 178.81 1s3s h ALA 413 N 1.48 0.10 -0.61 0.00 0.00 -0.97 -2.87 119.26 116.39 1s3s h ALA 413 Ca 0.42 -0.66 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1s3s h ALA 413 Cb 0.19 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 1s3s h ALA 413 CO -0.17 0.58 0.10 1.25 0.00 0.00 0.00 179.25 181.01 1s3s h LEU 414 N 0.24 -0.07 -0.50 0.00 5.85 0.44 0.38 115.31 121.64 1s3s h LEU 414 Ca -0.12 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1s3s h LEU 414 Cb 1.60 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.77 1s3s h LEU 414 CO 0.18 -0.03 0.26 0.00 -0.34 0.00 0.00 178.44 178.51 1s3s h SER 416 N 0.50 0.97 -0.20 0.00 0.02 -0.76 -1.53 113.55 112.54 1s3s h SER 416 Ca 0.22 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1s3s h SER 416 Cb 0.12 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1s3s h SER 416 CO -0.15 0.63 0.10 -0.33 -1.14 0.00 0.00 176.83 175.94 1s3s h GLU 417 N 1.11 0.29 0.21 3.45 4.39 -0.10 0.10 114.58 124.04 1s3s h GLU 417 Ca 0.40 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1s3s h GLU 417 Cb 0.13 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1s3s h GLU 417 CO -0.16 0.31 -0.41 0.00 -1.16 0.00 0.00 179.01 177.58 1s3s h ALA 418 N 0.97 -0.97 -0.45 3.43 0.00 -0.59 0.48 119.26 122.12 1s3s h ALA 418 Ca 0.07 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1s3s h ALA 418 Cb 0.11 0.74 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1s3s h ALA 418 CO -0.01 -1.04 -0.49 0.00 0.00 0.00 0.00 179.25 177.71 1s3s h ALA 419 N -0.89 -0.57 -0.92 0.00 0.00 -1.21 0.40 119.26 116.08 1s3s h ALA 419 Ca -0.02 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1s3s h ALA 419 Cb 0.63 1.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.36 1s3s h ALA 419 CO -0.16 -0.94 0.55 -0.07 0.00 0.00 0.00 179.25 178.63 1s3s h LEU 420 N -0.34 0.79 -0.89 0.00 3.38 -0.45 0.15 115.31 117.96 1s3s h LEU 420 Ca 0.12 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1s3s h LEU 420 Cb 0.58 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1s3s h LEU 420 CO -0.62 0.43 0.59 -0.61 0.09 0.00 0.00 178.44 178.32 1s3s h GLN 421 N 0.88 1.15 -0.15 1.13 5.75 0.18 0.15 115.11 124.20 1s3s h GLN 421 Ca 0.46 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.86 1s3s h GLN 421 Cb 0.46 -0.26 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 1s3s h GLN 421 CO -0.27 0.76 -0.03 0.00 -2.65 0.00 0.00 178.83 176.64 1s3s h ALA 422 N 1.34 0.20 -0.93 3.38 0.00 0.11 -2.57 119.26 120.79 1s3s h ALA 422 Ca 0.34 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1s3s h ALA 422 Cb -0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1s3s h ALA 422 CO -0.09 -0.06 0.59 0.82 0.00 0.00 0.00 179.25 180.52 1s3s h ILE 423 N -0.02 1.07 -0.65 0.00 2.04 -0.30 -0.79 117.51 118.86 1s3s h ILE 423 Ca 0.04 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1s3s h ILE 423 Cb 0.45 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1s3s h ILE 423 CO 0.01 0.20 0.43 0.03 0.00 0.00 0.00 178.15 178.82 1s3s h ARG 424 N 1.08 0.81 0.36 2.37 3.08 -0.49 -0.93 114.38 120.66 1s3s h ARG 424 Ca 0.40 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.38 1s3s h ARG 424 Cb 0.15 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1s3s h ARG 424 CO -0.17 0.53 -0.17 0.87 -1.07 0.00 0.00 179.97 179.96 1s3s h LYS 425 N 0.83 -0.46 0.00 0.04 1.57 -0.75 -3.18 116.57 114.62 1s3s h LYS 425 Ca 0.25 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1s3s h LYS 425 Cb -0.01 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1s3s h LYS 425 CO -0.06 -0.31 0.00 1.63 -0.57 0.00 0.00 179.45 180.14 1s3s n LYS 426 N -3.54 0.74 -0.07 3.15 5.02 -1.00 -3.65 118.16 118.82 1s3s n LYS 426 Ca -0.06 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.03 1s3s n LYS 426 Cb 0.19 -1.05 -0.12 0.00 -0.02 0.00 0.00 35.03 34.03 1s3s n LYS 426 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1s3s h MET 427 N 0.00 0.05 -0.25 1.97 0.00 -1.14 -3.34 114.93 112.22 1s3s h MET 427 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 59.70 59.68 1s3s h MET 427 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 31.60 31.62 1s3s h MET 427 CO 0.00 1.04 0.46 -0.44 0.00 0.00 0.00 176.91 177.98 1s3s h ASP 428 N -0.85 0.00 0.00 1.22 3.32 -1.66 -0.51 116.42 117.94 1s3s h ASP 428 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1s3s h ASP 428 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1s3s h ASP 428 CO -0.09 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.61 1s3s n LEU 429 N -3.28 0.00 -2.57 1.55 4.77 -1.25 -4.71 117.00 111.51 1s3s n LEU 429 Ca 0.04 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 1s3s n LEU 429 Cb 0.58 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.73 1s3s n LEU 429 CO 0.20 0.00 0.16 -0.38 -1.33 0.00 0.00 177.39 176.04 1s3s n ILE 430 N -0.69 -2.14 -2.32 -0.08 5.41 -0.21 -4.91 119.36 114.42 1s3s n ILE 430 Ca 0.00 -0.02 -0.41 0.00 1.00 0.00 0.00 62.75 63.32 1s3s n ILE 430 Cb 0.00 -3.24 -0.01 0.00 -0.71 0.00 0.00 39.64 35.68 1s3s n ILE 430 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1s3s n ASP 431 N -1.57 4.42 0.00 4.38 9.92 -1.18 -4.68 116.55 127.84 1s3s n ASP 431 Ca -0.01 -2.87 0.00 0.00 -0.53 0.00 0.00 54.79 51.39 1s3s n ASP 431 Cb 0.55 -1.71 0.00 0.00 -0.64 0.00 0.00 41.12 39.31 1s3s n ASP 431 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1s3s n LEU 432 N 8.88 0.00 -3.42 0.64 7.99 -1.26 -4.88 117.00 124.94 1s3s n LEU 432 Ca 0.49 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 56.18 1s3s n LEU 432 Cb 0.45 -0.04 0.02 0.00 -0.11 0.00 0.00 43.42 43.74 1s3s n LEU 432 CO 0.79 0.00 -0.83 -0.62 -1.51 0.00 0.00 177.39 175.22 1s3s n GLU 433 N -0.38 0.00 0.00 3.23 1.02 -1.26 -3.75 120.64 119.50 1s3s n GLU 433 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1s3s n GLU 433 Cb 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1s3s n GLU 433 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s3s n ASP 434 N 2.50 0.00 -4.60 1.62 8.00 -1.26 -5.03 116.55 117.77 1s3s n ASP 434 Ca 0.02 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.23 1s3s n ASP 434 Cb 0.43 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.44 1s3s n ASP 434 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1s3s s GLU 435 N -0.71 2.21 -0.06 -1.24 2.02 -1.25 -5.04 118.70 114.62 1s3s s GLU 435 Ca 0.00 -1.03 -0.38 0.00 0.02 0.00 0.00 54.97 53.57 1s3s s GLU 435 Cb 0.00 -2.33 -0.19 0.00 0.10 0.00 0.00 34.13 31.71 1s3s s GLU 435 CO 0.00 0.50 1.07 2.41 0.02 0.00 0.00 175.26 179.26 1s3s n THR 436 N 0.52 0.00 -0.84 3.63 -1.04 -1.26 -4.85 114.28 110.44 1s3s n THR 436 Ca -0.12 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.55 1s3s n THR 436 Cb 0.53 -0.06 0.11 0.00 -1.82 0.00 0.00 70.33 69.09 1s3s n THR 436 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1s3s n ILE 437 N 1.71 0.09 -4.38 12.58 2.08 -1.19 -4.89 119.36 125.36 1s3s n ILE 437 Ca 0.20 -0.23 -0.29 0.00 0.56 0.00 0.00 62.75 62.99 1s3s n ILE 437 Cb 0.06 -0.56 -0.17 0.00 -0.75 0.00 0.00 39.64 38.22 1s3s n ILE 437 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1s3s s ASP 438 N -1.88 2.50 0.11 4.38 -1.08 -1.26 -0.79 116.67 118.64 1s3s s ASP 438 Ca 0.55 -0.44 -0.30 0.00 -0.52 0.00 0.00 52.55 51.85 1s3s s ASP 438 Cb -0.21 -1.11 -0.10 0.00 -1.46 0.00 0.00 42.92 40.04 1s3s s ASP 438 CO 0.69 0.00 1.61 0.00 0.52 0.00 0.00 175.17 177.99 1s3s h ALA 439 N 7.54 -0.66 -0.87 3.66 0.00 0.13 -2.97 119.26 126.09 1s3s h ALA 439 Ca -0.32 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.66 1s3s h ALA 439 Cb 1.17 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 19.44 1s3s h ALA 439 CO 0.50 -0.93 0.46 1.49 0.00 0.00 0.00 179.25 180.77 1s3s h GLU 440 N -0.62 0.63 -0.72 0.00 4.22 -1.84 -1.66 114.58 114.58 1s3s h GLU 440 Ca 0.02 -0.04 0.13 0.00 0.08 0.00 0.00 59.36 59.55 1s3s h GLU 440 Cb 0.63 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 1s3s h GLU 440 CO -0.18 0.42 0.29 0.28 -2.18 0.00 0.00 179.01 177.64 1s3s h VAL 441 N 0.65 0.70 0.00 0.32 2.07 -1.90 -0.89 116.25 117.21 1s3s h VAL 441 Ca 0.48 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.74 1s3s h VAL 441 Cb 0.67 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1s3s h VAL 441 CO -0.36 0.08 -0.49 0.24 0.02 0.00 0.00 177.57 177.06 1s3s h MET 442 N 0.45 0.00 0.00 1.57 2.86 -1.33 -3.23 114.93 115.26 1s3s h MET 442 Ca 0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1s3s h MET 442 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1s3s h MET 442 CO -0.37 0.49 0.00 -1.71 1.06 0.00 0.00 176.91 176.38 1s3s n ASN 443 N -3.55 0.59 -0.06 1.22 5.15 -0.37 -3.57 115.26 114.67 1s3s n ASN 443 Ca -0.00 0.58 -0.22 0.00 -0.60 0.00 0.00 54.58 54.33 1s3s n ASN 443 Cb 0.59 -0.73 -0.12 0.00 -0.53 0.00 0.00 39.78 38.99 1s3s n ASN 443 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1s3s n SER 444 N -2.07 1.99 -4.39 1.20 3.41 -1.04 -4.80 113.62 107.92 1s3s n SER 444 Ca 0.05 0.29 -0.53 0.00 -0.26 0.00 0.00 58.87 58.43 1s3s n SER 444 Cb 0.36 -0.88 -0.09 0.00 -0.26 0.00 0.00 64.21 63.34 1s3s n SER 444 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1s3s n LEU 445 N -3.94 1.64 -4.56 1.04 0.00 -1.23 -4.93 117.00 105.02 1s3s n LEU 445 Ca -0.35 0.45 -0.34 0.00 0.00 0.00 0.00 56.01 55.78 1s3s n LEU 445 Cb 0.87 -1.15 -0.11 0.00 0.00 0.00 0.00 43.42 43.03 1s3s n LEU 445 CO 0.28 -0.77 -0.37 0.00 0.00 0.00 0.00 177.39 176.54 1s3s s ALA 446 N 7.14 3.01 -0.30 1.96 0.00 -1.26 -4.58 121.76 127.73 1s3s s ALA 446 Ca 1.14 -0.86 -0.27 0.00 0.00 0.00 0.00 51.96 51.97 1s3s s ALA 446 Cb -1.05 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 20.74 1s3s s ALA 446 CO 0.53 0.47 0.95 0.08 0.00 0.00 0.00 175.76 177.79 1s3s s VAL 447 N -0.46 4.66 0.46 0.00 1.01 -0.50 -4.81 120.40 120.75 1s3s s VAL 447 Ca 0.07 1.57 -0.08 0.00 0.00 0.00 0.00 61.98 63.54 1s3s s VAL 447 Cb -0.12 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1s3s s VAL 447 CO 0.02 -0.33 0.80 0.42 0.00 0.00 0.00 175.10 176.02 1s3s s THR 448 N 3.29 4.83 0.66 3.92 -4.23 -1.26 -1.49 115.64 121.36 1s3s s THR 448 Ca 0.40 0.46 0.39 0.00 -1.18 0.00 0.00 61.69 61.76 1s3s s THR 448 Cb -0.13 -3.80 0.40 0.00 1.34 0.00 0.00 72.50 70.30 1s3s s THR 448 CO 0.12 -0.73 2.22 -0.03 -0.54 0.00 0.00 174.62 175.67 1s3s h MET 449 N 0.65 0.00 -0.03 3.99 1.85 -1.88 0.72 114.93 120.23 1s3s h MET 449 Ca -0.47 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.47 1s3s h MET 449 Cb 1.20 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.21 1s3s h MET 449 CO 0.63 0.00 -0.66 0.22 -0.40 0.00 0.00 176.91 176.70 1s3s h ASP 450 N 0.00 0.17 -0.62 1.39 1.82 -1.92 -1.07 116.42 116.19 1s3s h ASP 450 Ca 0.01 -0.10 -0.05 0.00 -0.39 0.00 0.00 57.03 56.49 1s3s h ASP 450 Cb 0.23 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.17 1s3s h ASP 450 CO -0.00 0.78 0.19 0.44 -1.61 0.00 0.00 179.24 179.04 1s3s h ASP 451 N 0.10 0.91 -0.25 2.28 3.32 0.11 0.22 116.42 123.11 1s3s h ASP 451 Ca -0.01 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.74 1s3s h ASP 451 Cb 1.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1s3s h ASP 451 CO 0.10 0.88 -0.18 -0.26 -1.72 0.00 0.00 179.24 178.05 1s3s h PHE 452 N 0.89 0.66 -0.55 4.55 -1.00 -1.37 -1.94 116.94 118.18 1s3s h PHE 452 Ca 0.20 -0.18 0.11 0.00 2.81 0.00 0.00 57.97 60.91 1s3s h PHE 452 Cb 0.30 -0.14 -0.09 0.00 3.61 0.00 0.00 35.95 39.62 1s3s h PHE 452 CO 0.02 0.86 0.02 0.00 -1.61 0.00 0.00 178.31 177.60 1s3s h ARG 453 N 0.27 0.14 -0.41 1.51 2.47 -0.79 0.36 114.38 117.93 1s3s h ARG 453 Ca 0.05 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1s3s h ARG 453 Cb 0.72 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 1s3s h ARG 453 CO 0.05 0.09 0.24 2.35 0.56 0.00 0.00 179.97 183.26 1s3s h TRP 454 N 0.14 0.53 0.25 3.04 7.01 -0.44 -2.62 115.95 123.87 1s3s h TRP 454 Ca 0.28 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.28 1s3s h TRP 454 Cb 0.43 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.30 1s3s h TRP 454 CO -0.32 0.38 -0.26 0.00 -2.79 0.00 0.00 178.44 175.45 1s3s h ALA 455 N 1.11 -0.53 -0.79 2.65 0.00 -0.33 -2.67 119.26 118.70 1s3s h ALA 455 Ca 0.15 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1s3s h ALA 455 Cb -0.00 0.38 -0.14 0.00 0.00 0.00 0.00 17.79 18.03 1s3s h ALA 455 CO -0.03 -0.83 -0.07 -0.07 0.00 0.00 0.00 179.25 178.25 1s3s h LEU 456 N -0.55 -0.50 -3.40 0.00 3.38 -0.12 -0.05 115.31 114.06 1s3s h LEU 456 Ca -0.00 0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1s3s h LEU 456 Cb 0.51 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1s3s h LEU 456 CO -0.06 -0.23 -0.05 -1.20 0.09 0.00 0.00 178.44 176.99 1s3s n SER 457 N -5.42 4.32 0.00 -0.43 7.64 -1.00 -5.11 113.62 113.61 1s3s n SER 457 Ca 0.13 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.84 1s3s n SER 457 Cb 0.47 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1s3s n SER 457 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70