#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxr s ALA 2 N 0.00 -0.21 -1.18 7.33 0.00 -1.26 -4.86 121.76 121.58 3hxr s ALA 2 Ca 0.00 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.26 3hxr s ALA 2 Cb 0.00 -1.30 0.11 0.00 0.00 0.00 0.00 23.12 21.93 3hxr s ALA 2 CO 0.00 -1.21 0.89 0.00 0.00 0.00 0.00 175.76 175.44 3hxr s LEU 4 N -0.86 1.68 0.38 0.00 1.43 -1.25 -0.87 118.68 119.19 3hxr s LEU 4 Ca 0.13 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3hxr s LEU 4 Cb 0.09 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 3hxr s LEU 4 CO 0.13 0.04 0.62 -0.44 0.23 0.00 0.00 176.35 176.93 3hxr s SER 5 N 0.43 6.29 -0.15 2.29 0.01 0.76 -0.48 113.70 122.85 3hxr s SER 5 Ca -0.08 0.60 -0.05 0.00 1.31 0.00 0.00 55.95 57.73 3hxr s SER 5 Cb -0.12 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 3hxr s SER 5 CO 0.01 -0.37 0.03 -0.60 0.41 0.00 0.00 173.24 172.72 3hxr s ARG 6 N -4.41 3.64 -0.22 12.44 3.52 -1.23 -0.43 118.95 132.26 3hxr s ARG 6 Ca 0.42 -0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.64 3hxr s ARG 6 Cb -0.10 -3.05 0.05 0.00 -1.56 0.00 0.00 34.95 30.30 3hxr s ARG 6 CO 0.38 0.40 -0.07 0.42 -0.81 0.00 0.00 175.30 175.62 3hxr s ILE 7 N -0.02 1.54 -0.23 4.11 -1.09 0.13 -4.29 121.20 121.36 3hxr s ILE 7 Ca 0.04 -1.10 -0.22 0.00 -2.23 0.00 0.00 60.65 57.14 3hxr s ILE 7 Cb -0.12 -1.73 -0.02 0.00 -1.58 0.00 0.00 42.46 39.01 3hxr s ILE 7 CO 0.01 0.01 0.71 -1.81 -1.23 0.00 0.00 174.94 172.63 3hxr s ASP 8 N 1.41 6.72 -0.45 3.58 1.01 -1.26 -1.04 116.67 126.64 3hxr s ASP 8 Ca -0.04 0.88 -0.08 0.00 0.71 0.00 0.00 52.55 54.02 3hxr s ASP 8 Cb -0.18 -2.38 0.11 0.00 1.01 0.00 0.00 42.92 41.48 3hxr s ASP 8 CO -0.07 -0.39 0.31 0.00 0.21 0.00 0.00 175.17 175.23 3hxr s ALA 9 N 2.41 3.34 -0.41 5.23 0.00 0.01 -4.99 121.76 127.36 3hxr s ALA 9 Ca 0.31 -2.45 -0.22 0.00 0.00 0.00 0.00 51.96 49.60 3hxr s ALA 9 Cb -0.16 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.24 3hxr s ALA 9 CO 0.09 -1.84 0.71 1.21 0.00 0.00 0.00 175.76 175.93 3hxr s ASN 10 N 2.46 6.41 0.50 0.00 3.04 -1.26 -1.68 114.94 124.41 3hxr s ASN 10 Ca 0.05 -0.04 0.21 0.00 0.04 0.00 0.00 52.86 53.12 3hxr s ASN 10 Cb -0.25 -2.35 1.28 0.00 -1.54 0.00 0.00 41.25 38.38 3hxr s ASN 10 CO -0.01 -0.77 2.06 -0.07 -3.04 0.00 0.00 177.10 175.28 3hxr h LEU 11 N 9.76 0.00 -1.61 3.21 3.38 -1.02 -0.05 115.31 128.98 3hxr h LEU 11 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3hxr h LEU 11 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hxr h LEU 11 CO 0.90 0.13 0.00 0.18 0.09 0.00 0.00 178.44 179.74 3hxr n LEU 12 N -4.05 2.42 -0.18 1.67 4.77 -1.26 -4.54 117.00 115.83 3hxr n LEU 12 Ca -0.02 -1.00 -0.03 0.00 -0.03 0.00 0.00 56.01 54.93 3hxr n LEU 12 Cb 0.21 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 3hxr n LEU 12 CO 0.33 0.50 1.01 -0.61 -1.33 0.00 0.00 177.39 177.29 3hxr h GLN 13 N 3.27 0.46 0.00 3.23 5.75 -1.37 -2.08 115.11 124.38 3hxr h GLN 13 Ca 0.00 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 3hxr h GLN 13 Cb 0.71 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 3hxr h GLN 13 CO 0.00 0.31 -0.18 1.88 -2.65 0.00 0.00 178.83 178.19 3hxr h TYR 14 N 0.48 0.00 -4.03 3.99 0.99 -1.80 -3.42 116.97 113.18 3hxr h TYR 14 Ca 0.25 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.51 3hxr h TYR 14 Cb 0.21 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.94 3hxr h TYR 14 CO -0.12 0.18 0.29 0.71 -0.00 0.00 0.00 178.16 179.22 3hxr s TYR 15 N -4.60 3.41 -0.58 4.88 2.02 -0.78 -4.65 117.35 117.05 3hxr s TYR 15 Ca -0.04 1.41 0.14 0.00 -0.37 0.00 0.00 57.07 58.21 3hxr s TYR 15 Cb 0.16 -2.72 0.72 0.00 -0.40 0.00 0.00 41.96 39.72 3hxr s TYR 15 CO 0.69 -0.21 1.61 -1.91 -1.57 0.00 0.00 175.55 174.16 3hxr n GLU 16 N -1.16 4.24 -3.29 -0.62 2.13 -1.26 -4.51 120.64 116.16 3hxr n GLU 16 Ca 0.06 -2.78 -0.06 0.00 0.66 0.00 0.00 57.16 55.03 3hxr n GLU 16 Cb 0.54 -2.10 -0.06 0.00 0.27 0.00 0.00 31.44 30.10 3hxr n GLU 16 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3hxr s LYS 17 N -2.37 0.42 -0.01 5.31 1.02 -1.26 -4.99 119.74 117.87 3hxr s LYS 17 Ca 0.49 0.43 -0.10 0.00 0.02 0.00 0.00 55.97 56.80 3hxr s LYS 17 Cb 0.35 -0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.40 3hxr s LYS 17 CO 0.17 -0.84 0.31 -1.25 -0.92 0.00 0.00 175.35 172.82 3hxr s PRO 18 N 2.61 3.69 0.00 -1.68 0.04 -1.26 -4.51 135.00 133.88 3hxr s PRO 18 Ca 0.12 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.28 3hxr s PRO 18 Cb -0.14 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3hxr s PRO 18 CO -0.23 0.67 0.00 0.39 0.04 0.00 0.00 177.00 177.87 3hxr n GLU 19 N 1.49 2.48 -1.86 4.56 1.02 -1.26 -4.97 120.64 122.10 3hxr n GLU 19 Ca -0.13 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.63 3hxr n GLU 19 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.99 3hxr n GLU 19 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hxr s PRO 20 N 2.17 3.19 0.51 3.49 0.04 -1.26 -4.86 135.00 138.29 3hxr s PRO 20 Ca 0.00 2.14 0.16 0.00 0.04 0.00 0.00 61.00 63.34 3hxr s PRO 20 Cb 0.00 -2.24 1.25 0.00 0.04 0.00 0.00 34.50 33.55 3hxr s PRO 20 CO 0.00 -1.12 2.14 -2.95 0.04 0.00 0.00 177.00 175.11 3hxr h ASN 21 N 1.47 0.02 -3.53 6.66 -0.00 -1.83 -3.38 115.58 114.98 3hxr h ASN 21 Ca -0.51 -0.00 -0.69 0.00 -0.00 0.00 0.00 56.30 55.10 3hxr h ASN 21 Cb 1.29 -0.00 -0.34 0.00 -0.00 0.00 0.00 38.32 39.27 3hxr h ASN 21 CO 0.57 0.02 -0.57 0.21 -0.00 0.00 0.00 177.43 177.66 3hxr s ASN 22 N -7.06 5.22 -0.07 6.14 2.47 -1.26 -5.07 114.94 115.32 3hxr s ASN 22 Ca -0.05 -1.85 0.05 0.00 0.42 0.00 0.00 52.86 51.42 3hxr s ASN 22 Cb 0.17 -1.82 -0.00 0.00 -1.45 0.00 0.00 41.25 38.15 3hxr s ASN 22 CO 0.67 -0.49 -0.21 0.42 -3.72 0.00 0.00 177.10 173.77 3hxr s THR 23 N 1.18 1.78 -0.12 -5.21 -4.23 -1.26 -2.67 115.64 105.11 3hxr s THR 23 Ca 0.05 -0.89 -0.04 0.00 -1.18 0.00 0.00 61.69 59.63 3hxr s THR 23 Cb -0.22 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 3hxr s THR 23 CO -0.03 0.50 0.03 -0.69 -0.54 0.00 0.00 174.62 173.88 3hxr s VAL 24 N 0.13 4.50 -0.43 2.29 1.01 -0.76 -4.99 120.40 122.14 3hxr s VAL 24 Ca -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 3hxr s VAL 24 Cb -0.15 -2.95 0.12 0.00 0.00 0.00 0.00 36.38 33.40 3hxr s VAL 24 CO 0.05 0.55 0.22 -1.81 0.00 0.00 0.00 175.10 174.11 3hxr s ASP 25 N -0.39 5.17 -0.04 3.32 1.11 -1.26 -0.50 116.67 124.08 3hxr s ASP 25 Ca 0.08 -2.19 -0.17 0.00 0.18 0.00 0.00 52.55 50.45 3hxr s ASP 25 Cb -0.12 -1.80 -0.05 0.00 1.07 0.00 0.00 42.92 42.01 3hxr s ASP 25 CO 0.02 -0.49 0.48 -0.76 1.18 0.00 0.00 175.17 175.59 3hxr s LEU 26 N 0.91 4.39 0.29 1.23 1.43 -0.43 -5.02 118.68 121.49 3hxr s LEU 26 Ca 0.10 0.96 0.08 0.00 -1.03 0.00 0.00 54.13 54.24 3hxr s LEU 26 Cb -0.22 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 3hxr s LEU 26 CO -0.04 0.16 0.11 -0.31 0.23 0.00 0.00 176.35 176.49 3hxr s TYR 27 N -0.27 2.82 -0.42 0.29 2.02 -1.26 -1.72 117.35 118.81 3hxr s TYR 27 Ca 0.26 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 3hxr s TYR 27 Cb -0.17 -1.41 0.13 0.00 -0.40 0.00 0.00 41.96 40.12 3hxr s TYR 27 CO 0.13 0.49 0.23 0.14 -1.57 0.00 0.00 175.55 174.97 3hxr s VAL 28 N -2.30 1.15 0.00 0.71 -7.23 -1.23 -4.91 120.40 106.58 3hxr s VAL 28 Ca 0.34 -2.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3hxr s VAL 28 Cb -0.06 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.07 3hxr s VAL 28 CO 0.22 -0.90 0.00 -0.24 -0.31 0.00 0.00 175.10 173.87 3hxr n SER 29 N 3.69 0.00 -0.53 4.85 2.88 -1.26 -4.00 113.62 119.24 3hxr n SER 29 Ca 0.09 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.70 3hxr n SER 29 Cb 0.35 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.79 3hxr n SER 29 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hxr n GLY 53 N 0.00 -0.68 3.81 0.46 0.00 -1.26 -5.15 105.19 102.37 3hxr n GLY 53 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 3hxr n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hxr s SER 54 N -3.26 -0.11 0.00 1.61 0.15 -1.26 -4.76 113.70 106.07 3hxr s SER 54 Ca 0.00 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.07 3hxr s SER 54 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3hxr s SER 54 CO 0.00 -1.06 0.00 -0.62 1.20 0.00 0.00 173.24 172.76 3hxr n GLU 55 N -0.54 1.96 -3.61 5.44 1.02 -0.83 -4.91 120.64 119.17 3hxr n GLU 55 Ca -0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 3hxr n GLU 55 Cb 0.60 -0.71 -0.07 0.00 -0.02 0.00 0.00 31.44 31.24 3hxr n GLU 55 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3hxr s TYR 56 N -1.34 -0.73 -0.08 -0.32 6.14 -1.24 -4.98 117.35 114.81 3hxr s TYR 56 Ca 0.00 1.68 -0.04 0.00 0.64 0.00 0.00 57.07 59.36 3hxr s TYR 56 Cb 0.00 0.31 0.04 0.00 0.42 0.00 0.00 41.96 42.73 3hxr s TYR 56 CO 0.00 -0.40 0.18 -1.12 0.64 0.00 0.00 175.55 174.85 3hxr s SER 57 N 0.06 -0.16 0.34 4.32 0.01 -1.26 -2.21 113.70 114.80 3hxr s SER 57 Ca -0.02 0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.70 3hxr s SER 57 Cb -0.04 0.27 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 3hxr s SER 57 CO 0.02 -0.16 0.29 -3.20 0.41 0.00 0.00 173.24 170.60 3hxr n ASN 58 N 4.23 -0.73 -3.69 2.44 2.85 -1.10 -4.02 115.26 115.24 3hxr n ASN 58 Ca -0.26 -3.24 -0.26 0.00 -0.11 0.00 0.00 54.58 50.71 3hxr n ASN 58 Cb 0.52 1.72 -0.17 0.00 1.24 0.00 0.00 39.78 43.09 3hxr n ASN 58 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hxr s LEU 60 N 2.00 4.27 -0.04 0.00 1.98 0.17 -4.91 118.68 122.15 3hxr s LEU 60 Ca 0.01 0.43 -0.20 0.00 -2.89 0.00 0.00 54.13 51.48 3hxr s LEU 60 Cb -0.16 -2.24 -0.05 0.00 0.66 0.00 0.00 46.19 44.40 3hxr s LEU 60 CO -0.08 0.19 0.59 -0.22 -1.89 0.00 0.00 176.35 174.94 3hxr s LEU 61 N 0.11 4.37 0.45 -0.68 2.96 -1.26 -1.64 118.68 122.98 3hxr s LEU 61 Ca 0.14 1.09 0.08 0.00 -0.22 0.00 0.00 54.13 55.21 3hxr s LEU 61 Cb -0.12 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.68 3hxr s LEU 61 CO 0.02 0.04 0.48 -0.76 -1.32 0.00 0.00 176.35 174.81 3hxr s LEU 62 N 0.16 3.34 0.18 -0.68 1.43 -0.91 -5.00 118.68 117.20 3hxr s LEU 62 Ca 0.31 -0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 52.53 3hxr s LEU 62 Cb -0.17 -2.05 0.08 0.00 0.03 0.00 0.00 46.19 44.08 3hxr s LEU 62 CO 0.16 -0.82 1.84 -1.28 0.23 0.00 0.00 176.35 176.48 3hxr h SER 63 N 0.80 0.62 -4.43 2.29 0.87 -1.96 -3.38 113.55 108.36 3hxr h SER 63 Ca -0.39 -0.01 -0.49 0.00 -1.23 0.00 0.00 61.79 59.66 3hxr h SER 63 Cb 1.28 -0.15 0.09 0.00 -0.44 0.00 0.00 62.40 63.17 3hxr h SER 63 CO 0.52 0.45 0.39 0.54 -0.53 0.00 0.00 176.83 178.21 3hxr s ASN 64 N -5.69 5.13 -1.26 6.23 2.20 -1.26 -4.92 114.94 115.37 3hxr s ASN 64 Ca -0.13 1.16 -0.16 0.00 -0.94 0.00 0.00 52.86 52.79 3hxr s ASN 64 Cb 0.13 -1.93 0.11 0.00 -2.00 0.00 0.00 41.25 37.56 3hxr s ASN 64 CO 0.75 -1.55 1.61 -1.20 -2.94 0.00 0.00 177.10 173.77 3hxr n SER 65 N -3.14 5.06 -3.81 3.54 7.64 -1.26 -4.91 113.62 116.74 3hxr n SER 65 Ca 0.07 -2.95 -0.12 0.00 1.01 0.00 0.00 58.87 56.88 3hxr n SER 65 Cb 0.57 -1.67 -0.12 0.00 -1.01 0.00 0.00 64.21 61.98 3hxr n SER 65 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3hxr s GLU 66 N 3.04 0.25 -0.23 1.43 2.56 -1.26 -5.02 118.70 119.47 3hxr s GLU 66 Ca 0.49 0.23 -0.11 0.00 0.00 0.00 0.00 54.97 55.58 3hxr s GLU 66 Cb 0.01 0.12 -0.05 0.00 2.00 0.00 0.00 34.13 36.21 3hxr s GLU 66 CO 0.05 -0.03 0.20 0.71 -0.56 0.00 0.00 175.26 175.62 3hxr s TYR 67 N -0.00 3.33 -0.07 5.30 2.02 -1.26 -2.14 117.35 124.53 3hxr s TYR 67 Ca -0.01 0.29 0.03 0.00 -0.37 0.00 0.00 57.07 57.01 3hxr s TYR 67 Cb -0.02 -2.31 -0.02 0.00 -0.40 0.00 0.00 41.96 39.21 3hxr s TYR 67 CO 0.00 0.06 -0.14 -1.50 -1.57 0.00 0.00 175.55 172.40 3hxr s ILE 68 N 1.09 3.09 0.03 2.71 -1.16 -0.65 0.05 121.20 126.35 3hxr s ILE 68 Ca 0.09 -0.70 0.04 0.00 -0.51 0.00 0.00 60.65 59.58 3hxr s ILE 68 Cb -0.14 -2.23 -0.03 0.00 0.61 0.00 0.00 42.46 40.67 3hxr s ILE 68 CO 0.05 0.58 -0.08 0.00 -2.81 0.00 0.00 174.94 172.68 3hxr s TYR 70 N -1.04 1.71 0.03 0.00 -0.85 -0.84 -2.50 117.35 113.87 3hxr s TYR 70 Ca 0.18 -0.46 0.02 0.00 -0.52 0.00 0.00 57.07 56.29 3hxr s TYR 70 Cb -0.11 -0.90 -0.02 0.00 0.38 0.00 0.00 41.96 41.31 3hxr s TYR 70 CO 0.09 0.23 -0.07 -1.01 -1.52 0.00 0.00 175.55 173.27 3hxr s HIS 71 N -1.61 0.58 -0.09 -3.49 3.76 -0.86 -2.71 115.29 110.86 3hxr s HIS 71 Ca 0.09 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.63 3hxr s HIS 71 Cb -0.08 -0.35 0.01 0.00 1.11 0.00 0.00 32.58 33.27 3hxr s HIS 71 CO 0.05 -0.07 -0.17 0.12 -0.85 0.00 0.00 174.74 173.81 3hxr s PHE 72 N -1.08 2.00 -0.10 1.40 2.19 -0.94 -1.70 117.98 119.75 3hxr s PHE 72 Ca -0.08 -0.82 0.00 0.00 0.33 0.00 0.00 56.93 56.36 3hxr s PHE 72 Cb -0.08 -1.40 0.02 0.00 -1.31 0.00 0.00 43.02 40.25 3hxr s PHE 72 CO 0.00 -0.38 -0.09 -1.54 1.83 0.00 0.00 175.22 175.04 3hxr s SER 73 N 0.60 2.11 -1.11 6.13 1.04 -0.51 -1.96 113.70 120.00 3hxr s SER 73 Ca -0.15 -0.31 -0.02 0.00 0.48 0.00 0.00 55.95 55.95 3hxr s SER 73 Cb -0.16 -0.86 -0.02 0.00 0.10 0.00 0.00 66.02 65.08 3hxr s SER 73 CO 0.05 -0.08 0.94 -1.54 0.98 0.00 0.00 173.24 173.59 3hxr n SER 74 N 4.67 -3.49 -1.19 7.02 3.41 -1.26 -3.30 113.62 119.48 3hxr n SER 74 Ca -0.15 -0.63 0.11 0.00 -0.26 0.00 0.00 58.87 57.94 3hxr n SER 74 Cb 0.50 -5.00 0.26 0.00 -0.26 0.00 0.00 64.21 59.72 3hxr n SER 74 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hxr n ARG 75 N -3.75 2.62 -2.38 4.33 5.12 -1.26 -4.76 116.66 116.58 3hxr n ARG 75 Ca -0.21 -2.44 -0.05 0.00 -1.93 0.00 0.00 57.85 53.22 3hxr n ARG 75 Cb 0.65 -1.51 0.01 0.00 -1.16 0.00 0.00 32.46 30.45 3hxr n ARG 75 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3hxr n SER 76 N 1.46 -1.11 0.00 0.55 3.41 -1.21 -4.37 113.62 112.36 3hxr n SER 76 Ca 0.21 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 3hxr n SER 76 Cb 0.59 1.85 0.00 0.00 -0.26 0.00 0.00 64.21 66.39 3hxr n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hxr n THR 77 N -0.26 0.00 -3.68 6.66 -2.24 -1.26 -4.67 114.28 108.82 3hxr n THR 77 Ca -0.04 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 3hxr n THR 77 Cb 0.29 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 3hxr n THR 77 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hxr s LEU 78 N 0.00 -0.29 0.00 3.22 1.98 -1.24 -3.16 118.68 119.19 3hxr s LEU 78 Ca 0.00 0.98 0.01 0.00 -2.89 0.00 0.00 54.13 52.23 3hxr s LEU 78 Cb 0.00 1.46 -0.01 0.00 0.66 0.00 0.00 46.19 48.30 3hxr s LEU 78 CO 0.00 -0.21 -0.04 -0.76 -1.89 0.00 0.00 176.35 173.45 3hxr s LEU 79 N 1.68 2.04 0.04 -0.68 1.43 -1.13 -1.43 118.68 120.64 3hxr s LEU 79 Ca -0.08 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3hxr s LEU 79 Cb -0.09 -0.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 3hxr s LEU 79 CO -0.14 0.00 0.10 0.42 0.23 0.00 0.00 176.35 176.97 3hxr s THR 80 N -0.28 0.14 0.05 5.49 -4.23 -0.69 -0.26 115.64 115.86 3hxr s THR 80 Ca -0.01 -1.14 0.03 0.00 -1.18 0.00 0.00 61.69 59.39 3hxr s THR 80 Cb -0.03 -0.98 -0.03 0.00 1.34 0.00 0.00 72.50 72.80 3hxr s THR 80 CO -0.00 -0.63 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.00 3hxr s PHE 81 N -2.82 0.78 0.02 3.99 2.99 -0.46 -2.03 117.98 120.44 3hxr s PHE 81 Ca -0.03 -0.51 -0.22 0.00 0.00 0.00 0.00 56.93 56.18 3hxr s PHE 81 Cb 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 43.02 42.61 3hxr s PHE 81 CO -0.06 -0.06 0.49 1.52 -0.00 0.00 0.00 175.22 177.11 3hxr s TYR 82 N -1.45 -0.39 0.30 0.36 -0.85 -1.04 -0.21 117.35 114.08 3hxr s TYR 82 Ca -0.08 0.49 -0.29 0.00 -0.52 0.00 0.00 57.07 56.67 3hxr s TYR 82 Cb -0.09 0.28 -0.10 0.00 0.38 0.00 0.00 41.96 42.43 3hxr s TYR 82 CO 0.01 -0.58 1.21 -1.25 -1.52 0.00 0.00 175.55 173.42 3hxr s PRO 83 N -2.08 4.49 0.22 -3.49 0.04 -1.26 -1.10 135.00 131.81 3hxr s PRO 83 Ca -0.07 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.96 3hxr s PRO 83 Cb -0.01 -3.13 0.20 0.00 0.04 0.00 0.00 34.50 31.59 3hxr s PRO 83 CO 0.01 -0.01 1.60 1.25 0.04 0.00 0.00 177.00 179.89 3hxr h LEU 84 N 3.70 0.67 -0.62 -3.56 5.85 -0.74 -3.13 115.31 117.48 3hxr h LEU 84 Ca -0.48 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 57.87 3hxr h LEU 84 Cb 1.22 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3hxr h LEU 84 CO 0.67 0.96 0.02 0.28 -0.34 0.00 0.00 178.44 180.04 3hxr h SER 85 N 0.53 1.05 -2.07 1.25 0.02 -1.92 -3.36 113.55 109.05 3hxr h SER 85 Ca 0.05 -0.30 -0.55 0.00 -0.84 0.00 0.00 61.79 60.16 3hxr h SER 85 Cb 0.86 -0.28 -0.40 0.00 0.14 0.00 0.00 62.40 62.72 3hxr h SER 85 CO 0.07 1.09 -0.98 -0.67 -1.14 0.00 0.00 176.83 175.20 3hxr n ASP 86 N -4.20 1.60 -0.09 3.07 2.03 -1.22 -3.61 116.55 114.13 3hxr n ASP 86 Ca 0.03 -3.06 0.02 0.00 0.52 0.00 0.00 54.79 52.30 3hxr n ASP 86 Cb 0.33 -0.63 0.33 0.00 -0.72 0.00 0.00 41.12 40.44 3hxr n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hxr h ALA 87 N 3.59 1.55 0.03 -1.67 0.00 -1.72 0.49 119.26 121.53 3hxr h ALA 87 Ca 0.11 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3hxr h ALA 87 Cb 0.82 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hxr h ALA 87 CO 0.59 0.39 -0.38 -0.92 0.00 0.00 0.00 179.25 178.93 3hxr h TYR 88 N 0.74 0.33 0.00 0.00 3.20 -1.90 -3.38 116.97 115.96 3hxr h TYR 88 Ca 0.19 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3hxr h TYR 88 Cb -0.02 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3hxr h TYR 88 CO 0.00 1.06 -1.38 0.72 -1.64 0.00 0.00 178.16 176.92 3hxr n HIS 89 N -4.40 0.46 -1.45 -3.82 8.25 -1.23 -2.97 115.22 110.06 3hxr n HIS 89 Ca -0.11 0.13 -0.29 0.00 -0.26 0.00 0.00 57.72 57.19 3hxr n HIS 89 Cb 0.59 -0.68 0.12 0.00 1.12 0.00 0.00 29.99 31.15 3hxr n HIS 89 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3hxr s GLY 90 N -4.27 1.60 -0.14 -1.41 0.00 0.16 -4.79 107.32 98.47 3hxr s GLY 90 Ca -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 3hxr s GLY 90 CO 0.84 0.21 -0.09 -1.59 0.00 0.00 0.00 173.10 172.47 3hxr s LYS 91 N -5.13 3.51 0.29 2.90 -2.85 -1.26 -4.52 119.74 112.67 3hxr s LYS 91 Ca 0.62 -0.61 -0.21 0.00 -1.00 0.00 0.00 55.97 54.77 3hxr s LYS 91 Cb -0.15 -2.76 -0.09 0.00 -2.06 0.00 0.00 37.83 32.76 3hxr s LYS 91 CO 0.55 0.22 0.83 0.95 0.10 0.00 0.00 175.35 177.99 3hxr s THR 92 N 0.37 4.44 -0.25 3.79 -4.23 -1.09 -4.64 115.64 114.03 3hxr s THR 92 Ca -0.08 1.45 -0.01 0.00 -1.18 0.00 0.00 61.69 61.87 3hxr s THR 92 Cb -0.15 -3.85 0.03 0.00 1.34 0.00 0.00 72.50 69.87 3hxr s THR 92 CO 0.04 0.08 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.52 3hxr s ILE 93 N -1.68 2.81 -0.20 2.99 1.01 0.71 -1.83 121.20 125.01 3hxr s ILE 93 Ca 0.49 -1.12 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 3hxr s ILE 93 Cb -0.16 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3hxr s ILE 93 CO 0.21 0.15 0.38 0.20 0.00 0.00 0.00 174.94 175.87 3hxr s ASN 94 N 1.29 6.41 -0.42 3.58 0.01 0.35 -1.36 114.94 124.81 3hxr s ASN 94 Ca -0.01 0.48 0.01 0.00 -0.71 0.00 0.00 52.86 52.63 3hxr s ASN 94 Cb -0.17 -2.22 0.11 0.00 0.41 0.00 0.00 41.25 39.38 3hxr s ASN 94 CO -0.04 -0.06 0.17 -0.63 -1.51 0.00 0.00 177.10 175.03 3hxr s ILE 95 N 1.27 2.79 0.61 0.60 1.01 0.64 -1.31 121.20 126.82 3hxr s ILE 95 Ca 0.18 -2.46 -0.17 0.00 0.00 0.00 0.00 60.65 58.20 3hxr s ILE 95 Cb -0.15 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 3hxr s ILE 95 CO 0.08 -0.69 1.11 -1.00 0.00 0.00 0.00 174.94 174.44 3hxr s HIS 96 N 0.70 2.67 0.01 3.97 3.76 -0.70 -2.84 115.29 122.86 3hxr s HIS 96 Ca 0.12 1.55 0.05 0.00 -0.15 0.00 0.00 55.06 56.62 3hxr s HIS 96 Cb -0.21 -3.19 -0.02 0.00 1.11 0.00 0.00 32.58 30.27 3hxr s HIS 96 CO -0.05 -1.59 -0.16 -0.51 -0.85 0.00 0.00 174.74 171.58 3hxr s LEU 97 N -4.46 2.09 0.11 0.89 1.43 -1.19 -3.56 118.68 113.99 3hxr s LEU 97 Ca 0.69 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 53.25 3hxr s LEU 97 Cb -0.21 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 3hxr s LEU 97 CO 0.36 0.14 1.63 1.55 0.23 0.00 0.00 176.35 180.27 3hxr h PRO 98 N 5.42 0.46 -4.27 1.29 0.14 -1.94 -3.40 132.00 129.70 3hxr h PRO 98 Ca -0.37 -0.09 -0.21 0.00 0.14 0.00 0.00 66.00 65.47 3hxr h PRO 98 Cb 1.16 -0.07 -0.20 0.00 0.14 0.00 0.00 31.00 32.03 3hxr h PRO 98 CO 0.47 0.50 -0.71 -0.80 0.14 0.00 0.00 178.00 177.59 3hxr s ASN 99 N -5.77 0.55 0.87 1.44 0.01 -1.26 -5.00 114.94 105.77 3hxr s ASN 99 Ca -0.13 -0.58 -0.10 0.00 -0.71 0.00 0.00 52.86 51.33 3hxr s ASN 99 Cb 0.09 0.08 0.12 0.00 0.41 0.00 0.00 41.25 41.95 3hxr s ASN 99 CO 0.73 -0.29 1.12 0.00 -1.51 0.00 0.00 177.10 177.15 3hxr s ALA 100 N -1.72 1.66 0.00 0.60 0.00 -1.26 -4.53 121.76 116.52 3hxr s ALA 100 Ca -0.11 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3hxr s ALA 100 Cb -0.08 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3hxr s ALA 100 CO -0.01 -2.44 0.00 0.45 0.00 0.00 0.00 175.76 173.75 3hxr n SER 101 N -4.00 0.00 -4.03 0.00 2.88 -1.26 -0.95 113.62 106.26 3hxr n SER 101 Ca 0.10 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.64 3hxr n SER 101 Cb 0.53 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.98 3hxr n SER 101 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3hxr n ASN 103 N 0.00 -1.87 -3.13 -3.46 5.15 -1.26 -4.42 115.26 106.27 3hxr n ASN 103 Ca 0.00 -1.44 -0.42 0.00 -0.60 0.00 0.00 54.58 52.12 3hxr n ASN 103 Cb 0.00 -0.64 -0.06 0.00 -0.53 0.00 0.00 39.78 38.55 3hxr n ASN 103 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hxr n GLN 104 N 4.65 0.00 -0.55 1.20 0.00 -1.26 -0.53 117.38 120.89 3hxr n GLN 104 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.02 3hxr n GLN 104 Cb 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 30.24 29.71 3hxr n GLN 104 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 3hxr n ARG 105 N 1.41 0.00 -0.02 2.61 -4.01 -1.26 -4.62 116.66 110.76 3hxr n ARG 105 Ca 0.15 0.00 0.07 0.00 -1.04 0.00 0.00 57.85 57.03 3hxr n ARG 105 Cb 0.03 -3.78 -0.15 0.00 -3.04 0.00 0.00 32.46 25.52 3hxr n ARG 105 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 3hxr n TYR 106 N -2.00 0.00 -1.39 2.89 4.01 0.31 -4.15 117.16 116.84 3hxr n TYR 106 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 3hxr n TYR 106 Cb 0.00 -0.52 0.07 0.00 -0.31 0.00 0.00 39.34 38.57 3hxr n TYR 106 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3hxr n THR 107 N -2.27 3.54 -4.23 -0.72 -2.24 -1.17 -1.50 114.28 105.69 3hxr n THR 107 Ca -0.08 -3.03 -0.19 0.00 -2.27 0.00 0.00 64.05 58.48 3hxr n THR 107 Cb 0.61 -1.20 -0.12 0.00 -2.10 0.00 0.00 70.33 67.52 3hxr n THR 107 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hxr s LEU 108 N -3.63 2.34 -0.12 3.22 2.96 -1.26 -3.28 118.68 118.91 3hxr s LEU 108 Ca 0.59 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 3hxr s LEU 108 Cb 0.47 -0.61 0.04 0.00 0.50 0.00 0.00 46.19 46.58 3hxr s LEU 108 CO -0.08 -0.07 0.31 0.42 -1.32 0.00 0.00 176.35 175.60 3hxr s THR 109 N -1.62 -0.01 -0.12 3.68 -4.23 -1.21 -4.83 115.64 107.31 3hxr s THR 109 Ca 0.05 0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 3hxr s THR 109 Cb -0.08 -0.45 0.02 0.00 1.34 0.00 0.00 72.50 73.33 3hxr s THR 109 CO 0.03 0.02 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.37 3hxr s ILE 110 N 0.57 1.43 0.07 2.99 1.09 -1.25 -2.64 121.20 123.46 3hxr s ILE 110 Ca -0.03 -0.57 -0.10 0.00 -1.10 0.00 0.00 60.65 58.85 3hxr s ILE 110 Cb -0.05 -1.34 0.00 0.00 -1.06 0.00 0.00 42.46 40.01 3hxr s ILE 110 CO -0.03 0.43 0.21 -1.58 -0.10 0.00 0.00 174.94 173.87 3hxr s GLN 111 N 1.29 0.81 -0.24 2.79 2.00 -0.50 -4.95 119.66 120.86 3hxr s GLN 111 Ca -0.01 -0.83 -0.02 0.00 -2.00 0.00 0.00 55.36 52.51 3hxr s GLN 111 Cb -0.14 0.33 0.02 0.00 0.80 0.00 0.00 33.01 34.02 3hxr s GLN 111 CO -0.06 -0.26 -0.06 -2.00 -0.50 0.00 0.00 175.29 172.41 3hxr s GLU 112 N -3.42 2.99 -0.06 1.67 2.12 -1.26 0.10 118.70 120.84 3hxr s GLU 112 Ca 0.01 -0.87 0.04 0.00 0.36 0.00 0.00 54.97 54.51 3hxr s GLU 112 Cb 0.03 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.45 3hxr s GLU 112 CO -0.09 -0.34 -0.17 0.08 -0.54 0.00 0.00 175.26 174.20 3hxr s VAL 113 N 1.37 1.50 -1.29 3.70 1.01 -0.04 -4.80 120.40 121.85 3hxr s VAL 113 Ca 0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 3hxr s VAL 113 Cb -0.16 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 3hxr s VAL 113 CO -0.05 0.43 0.66 -0.62 0.00 0.00 0.00 175.10 175.53 3hxr n GLU 114 N 3.41 -3.98 -3.81 2.72 1.02 -1.26 -0.84 120.64 117.90 3hxr n GLU 114 Ca -0.20 0.57 -0.26 0.00 -0.02 0.00 0.00 57.16 57.25 3hxr n GLU 114 Cb 0.53 -4.94 0.01 0.00 -0.02 0.00 0.00 31.44 27.02 3hxr n GLU 114 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hxr n GLN 115 N -4.24 -3.15 -3.64 3.49 3.00 -1.26 -4.91 117.38 106.67 3hxr n GLN 115 Ca -0.27 0.48 -0.06 0.00 -0.01 0.00 0.00 57.00 57.14 3hxr n GLN 115 Cb 0.67 -4.60 -0.07 0.00 0.00 0.00 0.00 30.24 26.24 3hxr n GLN 115 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 3hxr s GLN 116 N -6.24 0.67 -0.15 -1.09 0.74 -0.02 -3.21 119.66 110.36 3hxr s GLN 116 Ca 0.13 1.21 -0.29 0.00 0.05 0.00 0.00 55.36 56.45 3hxr s GLN 116 Cb -0.04 0.22 -0.01 0.00 1.10 0.00 0.00 33.01 34.28 3hxr s GLN 116 CO 0.86 -0.15 1.15 -0.51 -0.55 0.00 0.00 175.29 176.09 3hxr s LEU 117 N 1.77 4.19 -0.24 3.68 1.43 -0.06 -0.87 118.68 128.58 3hxr s LEU 117 Ca -0.09 1.61 -0.10 0.00 -1.03 0.00 0.00 54.13 54.52 3hxr s LEU 117 Cb -0.06 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 3hxr s LEU 117 CO -0.19 -0.65 0.14 -0.76 0.23 0.00 0.00 176.35 175.11 3hxr s LEU 118 N 2.92 3.93 -0.05 1.79 1.43 0.29 -2.49 118.68 126.50 3hxr s LEU 118 Ca 0.51 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.68 3hxr s LEU 118 Cb -0.20 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 3hxr s LEU 118 CO 0.14 0.04 -0.20 -0.69 0.23 0.00 0.00 176.35 175.87 3hxr s VAL 119 N 1.21 1.63 0.10 -1.59 1.01 -0.92 -1.41 120.40 120.43 3hxr s VAL 119 Ca 0.06 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.25 3hxr s VAL 119 Cb -0.14 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3hxr s VAL 119 CO 0.05 0.46 -0.11 0.20 0.00 0.00 0.00 175.10 175.71 3hxr s ASN 120 N -0.07 1.50 0.15 3.32 -0.87 -1.08 0.20 114.94 118.09 3hxr s ASN 120 Ca -0.03 -0.80 -0.18 0.00 -1.57 0.00 0.00 52.86 50.28 3hxr s ASN 120 Cb -0.12 -0.00 0.04 0.00 -0.02 0.00 0.00 41.25 41.15 3hxr s ASN 120 CO 0.02 -0.25 0.48 -0.69 -2.57 0.00 0.00 177.10 174.09 3hxr s VAL 121 N -2.37 0.04 -0.20 1.60 1.01 -0.36 -3.28 120.40 116.84 3hxr s VAL 121 Ca 0.05 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3hxr s VAL 121 Cb -0.03 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.18 3hxr s VAL 121 CO 0.00 -0.19 -0.12 -0.63 0.00 0.00 0.00 175.10 174.16 3hxr s ILE 122 N -3.81 1.76 0.71 2.22 1.09 -1.21 -1.14 121.20 120.82 3hxr s ILE 122 Ca 0.04 -1.07 -0.11 0.00 -1.10 0.00 0.00 60.65 58.40 3hxr s ILE 122 Cb 0.01 -1.80 0.02 0.00 -1.06 0.00 0.00 42.46 39.62 3hxr s ILE 122 CO -0.10 0.19 1.08 -0.76 -0.10 0.00 0.00 174.94 175.24 3hxr s LEU 123 N 1.35 2.94 0.59 2.97 1.43 -0.53 -4.39 118.68 123.03 3hxr s LEU 123 Ca -0.01 1.34 0.35 0.00 -1.03 0.00 0.00 54.13 54.78 3hxr s LEU 123 Cb -0.16 -4.16 1.84 0.00 0.03 0.00 0.00 46.19 43.74 3hxr s LEU 123 CO -0.08 -1.44 2.19 0.07 0.23 0.00 0.00 176.35 177.33 3hxr h LYS 124 N -0.72 0.00 -0.86 1.70 5.09 -1.26 1.45 116.57 121.98 3hxr h LYS 124 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.27 3hxr h LYS 124 Cb 1.24 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.52 3hxr h LYS 124 CO 0.61 0.04 0.45 -0.44 -2.09 0.00 0.00 179.45 178.02 3hxr h ASP 125 N 0.00 1.08 0.00 7.07 3.32 -1.92 -3.46 116.42 122.52 3hxr h ASP 125 Ca -0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3hxr h ASP 125 Cb 0.19 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3hxr h ASP 125 CO 0.01 0.88 0.00 0.61 -1.72 0.00 0.00 179.24 179.02 3hxr n GLY 126 N -1.12 0.71 3.60 2.75 0.00 0.50 -4.95 105.19 106.68 3hxr n GLY 126 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3hxr n GLY 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxr s SER 127 N -2.24 1.97 -0.13 1.61 1.04 -1.25 -4.67 113.70 110.03 3hxr s SER 127 Ca 0.00 1.41 -0.00 0.00 0.48 0.00 0.00 55.95 57.84 3hxr s SER 127 Cb 0.00 -2.12 0.02 0.00 0.10 0.00 0.00 66.02 64.02 3hxr s SER 127 CO 0.00 -3.57 -0.11 0.12 0.98 0.00 0.00 173.24 170.66 3hxr s PHE 128 N -2.72 1.83 -0.09 5.02 5.36 0.46 -1.46 117.98 126.39 3hxr s PHE 128 Ca 0.67 -0.98 0.00 0.00 -0.96 0.00 0.00 56.93 55.66 3hxr s PHE 128 Cb -0.22 -1.42 -0.03 0.00 -0.34 0.00 0.00 43.02 41.02 3hxr s PHE 128 CO 0.61 -0.59 -0.08 -1.17 -1.46 0.00 0.00 175.22 172.52 3hxr s LEU 129 N 1.59 3.04 -0.05 6.12 2.96 -0.29 -1.11 118.68 130.94 3hxr s LEU 129 Ca 0.05 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.90 3hxr s LEU 129 Cb -0.13 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3hxr s LEU 129 CO -0.09 0.30 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.11 3hxr s THR 130 N -0.41 1.89 -0.08 3.68 2.01 -1.25 -1.23 115.64 120.26 3hxr s THR 130 Ca 0.06 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.12 3hxr s THR 130 Cb -0.12 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.78 3hxr s THR 130 CO 0.02 0.53 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.51 3hxr s LEU 131 N -0.11 1.99 -0.33 4.42 1.43 0.13 -3.32 118.68 122.89 3hxr s LEU 131 Ca -0.04 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3hxr s LEU 131 Cb -0.13 -1.26 0.10 0.00 0.03 0.00 0.00 46.19 44.92 3hxr s LEU 131 CO 0.03 0.15 0.04 -1.10 0.23 0.00 0.00 176.35 175.70 3hxr s GLN 132 N 0.28 1.52 -0.34 1.70 -0.21 -1.25 -2.16 119.66 119.20 3hxr s GLN 132 Ca -0.14 -1.82 -0.02 0.00 0.02 0.00 0.00 55.36 53.40 3hxr s GLN 132 Cb -0.16 -3.16 0.07 0.00 1.00 0.00 0.00 33.01 30.75 3hxr s GLN 132 CO 0.07 -0.91 0.07 -0.51 -2.12 0.00 0.00 175.29 171.88 3hxr s LEU 133 N 0.93 4.37 0.68 2.90 1.43 -1.04 -4.83 118.68 123.12 3hxr s LEU 133 Ca 0.09 -1.55 -0.17 0.00 -1.03 0.00 0.00 54.13 51.47 3hxr s LEU 133 Cb -0.19 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3hxr s LEU 133 CO -0.08 -0.35 0.94 -2.65 0.23 0.00 0.00 176.35 174.43 3hxr n PRO 134 N 4.59 0.62 -0.24 1.29 -0.02 -1.26 -0.88 135.00 139.10 3hxr n PRO 134 Ca -0.09 0.26 -0.01 0.00 -2.02 0.00 0.00 63.50 61.65 3hxr n PRO 134 Cb 0.43 -2.18 0.20 0.00 -0.02 0.00 0.00 33.50 31.92 3hxr n PRO 134 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hxr h LEU 135 N -0.02 0.93 -1.12 2.45 3.38 -1.90 -0.71 115.31 118.32 3hxr h LEU 135 Ca -0.48 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.46 3hxr h LEU 135 Cb 1.35 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 3hxr h LEU 135 CO 0.48 0.72 0.60 0.28 0.09 0.00 0.00 178.44 180.60 3hxr h SER 136 N 1.06 1.02 -0.45 -0.43 0.02 -1.87 -2.51 113.55 110.39 3hxr h SER 136 Ca 0.28 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 3hxr h SER 136 Cb -0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 3hxr h SER 136 CO -0.05 0.72 0.17 0.15 -1.14 0.00 0.00 176.83 176.68 3hxr h PHE 137 N 1.19 0.70 -0.49 3.45 3.57 -1.45 -1.28 116.94 122.63 3hxr h PHE 137 Ca 0.34 -0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.65 3hxr h PHE 137 Cb -0.08 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 3hxr h PHE 137 CO -0.00 0.61 -0.21 1.37 -2.23 0.00 0.00 178.31 177.85 3hxr h LEU 138 N 0.59 1.01 -0.27 0.59 8.10 -1.42 -3.27 115.31 120.63 3hxr h LEU 138 Ca 0.15 -0.38 -0.19 0.00 0.11 0.00 0.00 57.88 57.57 3hxr h LEU 138 Cb 0.22 -0.28 0.00 0.00 -0.44 0.00 0.00 40.66 40.16 3hxr h LEU 138 CO -0.01 1.17 -0.57 -0.26 -4.11 0.00 0.00 178.44 174.66 3hxr h PHE 139 N 0.86 1.10 -3.35 0.17 0.04 -1.47 -3.41 116.94 110.87 3hxr h PHE 139 Ca 0.11 -0.40 -0.43 0.00 2.80 0.00 0.00 57.97 60.05 3hxr h PHE 139 Cb 0.78 -0.20 0.20 0.00 2.20 0.00 0.00 35.95 38.93 3hxr h PHE 139 CO 0.05 1.24 0.03 -1.54 -0.60 0.00 0.00 178.31 177.49 3hxr s SER 140 N -6.96 0.90 0.00 2.17 1.04 -0.49 -4.89 113.70 105.47 3hxr s SER 140 Ca -0.11 1.23 0.23 0.00 0.48 0.00 0.00 55.95 57.78 3hxr s SER 140 Cb 0.10 -1.88 0.58 0.00 0.10 0.00 0.00 66.02 64.92 3hxr s SER 140 CO 0.89 -4.21 1.47 -1.54 0.98 0.00 0.00 173.24 170.84 3hxr n SER 141 N -4.90 2.48 -4.70 7.02 3.41 -1.26 -4.81 113.62 110.87 3hxr n SER 141 Ca 0.06 -1.83 -0.44 0.00 -0.26 0.00 0.00 58.87 56.40 3hxr n SER 141 Cb 0.56 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 3hxr n SER 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxr n ALA 142 N 0.88 2.06 -0.07 7.33 0.00 -1.26 -4.86 120.51 124.59 3hxr n ALA 142 Ca 0.17 0.41 -0.02 0.00 0.00 0.00 0.00 53.44 54.01 3hxr n ALA 142 Cb 0.47 -2.42 0.24 0.00 0.00 0.00 0.00 19.45 17.74 3hxr n ALA 142 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3hxr h ASN 143 N 5.76 0.64 -4.97 0.00 2.35 -1.97 -3.45 115.58 113.95 3hxr h ASN 143 Ca -0.45 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.11 3hxr h ASN 143 Cb 1.23 -0.17 -0.19 0.00 0.05 0.00 0.00 38.32 39.24 3hxr h ASN 143 CO 0.88 0.67 0.08 0.42 -1.65 0.00 0.00 177.43 177.83 3hxr s THR 144 N -5.07 0.01 -0.09 2.81 -4.23 -1.26 -4.78 115.64 103.03 3hxr s THR 144 Ca -0.09 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.33 3hxr s THR 144 Cb 0.15 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 73.10 3hxr s THR 144 CO 0.78 -0.06 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.91 3hxr s LEU 145 N -1.18 1.62 0.72 4.79 2.01 -1.26 -5.12 118.68 120.26 3hxr s LEU 145 Ca -0.11 -0.36 -0.06 0.00 0.01 0.00 0.00 54.13 53.61 3hxr s LEU 145 Cb -0.01 -0.96 0.09 0.00 0.01 0.00 0.00 46.19 45.32 3hxr s LEU 145 CO 0.08 0.01 1.02 0.20 1.01 0.00 0.00 176.35 178.67 3hxr s ASN 146 N 0.94 4.53 0.00 2.29 0.01 -1.26 -4.98 114.94 116.47 3hxr s ASN 146 Ca -0.08 0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.25 3hxr s ASN 146 Cb -0.15 -0.72 0.00 0.00 0.41 0.00 0.00 41.25 40.79 3hxr s ASN 146 CO -0.00 -1.76 0.00 0.61 -1.51 0.00 0.00 177.10 174.44 3hxr n GLY 147 N -2.95 -0.76 3.27 0.66 0.00 -1.26 -5.00 105.19 99.16 3hxr n GLY 147 Ca 0.11 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 3hxr n GLY 147 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hxr s GLU 148 N -0.33 3.20 -0.04 1.61 -1.05 -1.26 -4.97 118.70 115.86 3hxr s GLU 148 Ca 0.00 -0.78 0.06 0.00 -0.15 0.00 0.00 54.97 54.10 3hxr s GLU 148 Cb 0.00 -2.51 0.09 0.00 -0.44 0.00 0.00 34.13 31.27 3hxr s GLU 148 CO 0.00 0.12 1.03 -2.67 0.95 0.00 0.00 175.26 174.69 3hxr n TRP 149 N 3.75 0.00 -3.84 4.83 4.27 -1.26 -4.94 117.44 120.24 3hxr n TRP 149 Ca -0.19 -0.63 -0.35 0.00 -3.89 0.00 0.00 57.50 52.44 3hxr n TRP 149 Cb 0.52 -0.08 -0.09 0.00 -1.36 0.00 0.00 31.31 30.31 3hxr n TRP 149 CO 0.00 0.00 0.00 -0.06 -2.29 0.00 0.00 177.69 175.34 3hxr s PHE 150 N -1.54 3.35 -0.21 -2.67 0.08 -1.26 -3.96 117.98 111.77 3hxr s PHE 150 Ca 0.10 0.23 0.13 0.00 0.12 0.00 0.00 56.93 57.51 3hxr s PHE 150 Cb 0.09 -2.12 0.44 0.00 -0.57 0.00 0.00 43.02 40.86 3hxr s PHE 150 CO 0.01 0.24 1.19 0.72 -0.10 0.00 0.00 175.22 177.29 3hxr n HIS 151 N 3.50 0.91 -1.65 0.36 8.25 -1.21 -4.97 115.22 120.40 3hxr n HIS 151 Ca -0.16 -1.62 -0.47 0.00 -0.26 0.00 0.00 57.72 55.20 3hxr n HIS 151 Cb 0.52 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 31.32 3hxr n HIS 151 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hxr n LEU 152 N -0.73 2.80 -4.03 2.41 4.77 -1.26 -4.50 117.00 116.46 3hxr n LEU 152 Ca 0.23 1.09 -0.10 0.00 -0.03 0.00 0.00 56.01 57.20 3hxr n LEU 152 Cb 0.85 -1.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.45 3hxr n LEU 152 CO 0.10 -0.44 -0.37 -1.10 -1.33 0.00 0.00 177.39 174.25 3hxr s GLN 153 N 0.94 0.46 -0.10 3.23 -0.21 -0.26 -4.94 119.66 118.78 3hxr s GLN 153 Ca 0.80 -0.81 0.14 0.00 0.02 0.00 0.00 55.36 55.52 3hxr s GLN 153 Cb -0.74 -0.00 0.21 0.00 1.00 0.00 0.00 33.01 33.49 3hxr s GLN 153 CO 0.40 -0.03 1.11 -1.71 -2.12 0.00 0.00 175.29 172.94 3hxr n ASN 154 N 1.19 2.23 -4.70 5.90 2.85 -1.26 0.18 115.26 121.65 3hxr n ASN 154 Ca -0.21 -2.80 -0.42 0.00 -0.11 0.00 0.00 54.58 51.03 3hxr n ASN 154 Cb 0.56 -0.32 -0.03 0.00 1.24 0.00 0.00 39.78 41.24 3hxr n ASN 154 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3hxr s PRO 155 N -2.38 4.35 0.00 1.20 0.04 -1.26 -3.89 135.00 133.07 3hxr s PRO 155 Ca 0.24 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3hxr s PRO 155 Cb 0.21 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.25 3hxr s PRO 155 CO 0.02 -0.43 0.00 2.48 0.04 0.00 0.00 177.00 179.11 3hxr n TYR 156 N 4.87 0.00 -4.76 0.56 0.18 -1.26 -4.92 117.16 111.83 3hxr n TYR 156 Ca 0.11 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.65 3hxr n TYR 156 Cb 0.45 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.26 3hxr n TYR 156 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3hxr s ASP 157 N -2.66 2.06 0.14 9.48 2.15 -1.25 -5.09 116.67 121.50 3hxr s ASP 157 Ca 0.00 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 52.63 3hxr s ASP 157 Cb 0.00 -0.21 -0.04 0.00 -0.30 0.00 0.00 42.92 42.36 3hxr s ASP 157 CO 0.00 0.19 -0.00 -0.36 -0.17 0.00 0.00 175.17 174.83 3hxr s PHE 158 N -0.50 1.02 -0.48 -5.34 2.99 -1.26 -4.97 117.98 109.44 3hxr s PHE 158 Ca 0.06 -1.05 0.19 0.00 0.00 0.00 0.00 56.93 56.13 3hxr s PHE 158 Cb -0.07 -0.59 0.90 0.00 0.00 0.00 0.00 43.02 43.26 3hxr s PHE 158 CO -0.00 -0.28 1.58 2.41 -0.00 0.00 0.00 175.22 178.92 3hxr n THR 159 N -0.14 1.07 -0.05 0.64 -1.04 -1.26 -1.34 114.28 112.15 3hxr n THR 159 Ca -0.08 0.47 -0.10 0.00 -2.04 0.00 0.00 64.05 62.30 3hxr n THR 159 Cb 0.63 -1.42 -0.03 0.00 -1.82 0.00 0.00 70.33 67.69 3hxr n THR 159 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 3hxr h VAL 160 N 0.00 1.09 -3.14 12.58 3.04 -2.03 -3.40 116.25 124.40 3hxr h VAL 160 Ca 0.00 -0.22 -0.62 0.00 -1.01 0.00 0.00 66.70 64.85 3hxr h VAL 160 Cb 0.16 0.85 -0.35 0.00 -2.01 0.00 0.00 31.29 29.94 3hxr h VAL 160 CO 0.00 0.09 -0.84 -0.13 -1.01 0.00 0.00 177.57 175.68 3hxr s ARG 161 N -5.98 2.49 0.50 4.17 0.52 -0.45 -5.12 118.95 115.09 3hxr s ARG 161 Ca -0.13 -0.64 -0.20 0.00 -0.52 0.00 0.00 55.73 54.24 3hxr s ARG 161 Cb 0.08 -2.20 -0.08 0.00 0.52 0.00 0.00 34.95 33.28 3hxr s ARG 161 CO 0.70 -0.19 1.07 0.08 0.02 0.00 0.00 175.30 176.98 3hxr s VAL 162 N 1.31 3.59 0.48 3.52 1.01 -1.26 -4.27 120.40 124.78 3hxr s VAL 162 Ca 0.02 0.99 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 3hxr s VAL 162 Cb -0.13 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 3hxr s VAL 162 CO -0.09 -0.21 1.09 -2.16 0.00 0.00 0.00 175.10 173.73 3hxr s PRO 163 N -3.24 3.73 0.16 2.72 0.04 -1.26 -4.20 135.00 132.96 3hxr s PRO 163 Ca 0.69 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.27 3hxr s PRO 163 Cb -0.19 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3hxr s PRO 163 CO 0.22 -0.52 0.00 1.58 0.04 0.00 0.00 177.00 178.32 3hxr n HIS 164 N -0.80 -1.72 -4.01 0.56 -0.00 -1.04 -4.69 115.22 103.52 3hxr n HIS 164 Ca 0.09 0.34 -0.16 0.00 0.46 0.00 0.00 57.72 58.44 3hxr n HIS 164 Cb 0.51 0.86 -0.15 0.00 -0.12 0.00 0.00 29.99 31.09 3hxr n HIS 164 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 3hxr s PHE 165 N -1.49 0.35 -0.20 1.57 2.19 -1.08 -4.47 117.98 114.85 3hxr s PHE 165 Ca 0.00 -0.04 0.01 0.00 0.33 0.00 0.00 56.93 57.23 3hxr s PHE 165 Cb 0.00 -0.34 0.03 0.00 -1.31 0.00 0.00 43.02 41.39 3hxr s PHE 165 CO 0.00 -0.08 -0.16 -1.17 1.83 0.00 0.00 175.22 175.63 3hxr s LEU 166 N 0.55 2.48 -0.01 6.12 0.20 -0.57 -0.52 118.68 126.92 3hxr s LEU 166 Ca -0.06 -0.77 0.05 0.00 0.69 0.00 0.00 54.13 54.05 3hxr s LEU 166 Cb -0.09 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.12 3hxr s LEU 166 CO -0.01 -0.04 -0.17 0.12 -0.29 0.00 0.00 176.35 175.96 3hxr s PHE 167 N 1.27 2.61 -0.20 5.38 2.19 0.50 -4.58 117.98 125.15 3hxr s PHE 167 Ca 0.02 -0.23 -0.16 0.00 0.33 0.00 0.00 56.93 56.89 3hxr s PHE 167 Cb -0.14 -1.55 -0.04 0.00 -1.31 0.00 0.00 43.02 39.97 3hxr s PHE 167 CO -0.10 0.18 0.42 -0.47 1.83 0.00 0.00 175.22 177.08 3hxr s TYR 168 N -0.79 3.37 -0.06 10.12 5.04 -1.26 0.28 117.35 134.05 3hxr s TYR 168 Ca 0.12 0.65 -0.14 0.00 -2.44 0.00 0.00 57.07 55.26 3hxr s TYR 168 Cb -0.10 -2.56 -0.05 0.00 0.35 0.00 0.00 41.96 39.60 3hxr s TYR 168 CO 0.02 -0.03 0.36 0.08 -1.34 0.00 0.00 175.55 174.64 3hxr s VAL 169 N 1.38 5.16 0.06 3.14 1.01 3.55 -4.92 120.40 129.79 3hxr s VAL 169 Ca 0.20 0.72 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 3hxr s VAL 169 Cb -0.15 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 3hxr s VAL 169 CO 0.08 0.51 1.20 0.28 0.00 0.00 0.00 175.10 177.17 3hxr h SER 170 N 5.40 -0.77 -0.13 3.32 0.02 -1.95 0.37 113.55 119.81 3hxr h SER 170 Ca -0.49 0.11 -0.69 0.00 -0.84 0.00 0.00 61.79 59.89 3hxr h SER 170 Cb 1.20 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 64.07 3hxr h SER 170 CO 0.66 -0.10 3.43 -2.65 -1.14 0.00 0.00 176.83 177.03 3hxr n PRO 171 N -3.79 3.45 -2.26 3.45 -0.02 -1.26 -4.44 135.00 130.13 3hxr n PRO 171 Ca 0.00 -2.48 -0.21 0.00 -2.02 0.00 0.00 63.50 58.79 3hxr n PRO 171 Cb 0.10 -2.97 -0.02 0.00 -0.02 0.00 0.00 33.50 30.59 3hxr n PRO 171 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hxr n GLN 172 N 4.38 -1.63 -4.69 -0.52 10.64 -0.79 -4.96 117.38 119.81 3hxr n GLN 172 Ca 0.66 1.05 -0.33 0.00 -1.83 0.00 0.00 57.00 56.55 3hxr n GLN 172 Cb 0.29 -5.67 -0.12 0.00 -0.86 0.00 0.00 30.24 23.89 3hxr n GLN 172 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 3hxr s PHE 173 N -3.00 2.87 -0.01 2.61 5.99 0.12 -4.91 117.98 121.65 3hxr s PHE 173 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 56.93 56.89 3hxr s PHE 173 Cb 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 43.02 41.29 3hxr s PHE 173 CO 0.00 0.23 -0.15 -1.12 -0.00 0.00 0.00 175.22 174.19 3hxr s SER 174 N -0.63 1.71 -0.11 6.13 0.01 -1.25 0.72 113.70 120.28 3hxr s SER 174 Ca 0.09 -0.26 -0.03 0.00 1.31 0.00 0.00 55.95 57.06 3hxr s SER 174 Cb -0.11 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.87 3hxr s SER 174 CO 0.02 0.17 -0.00 -0.69 0.41 0.00 0.00 173.24 173.15 3hxr s VAL 175 N -0.31 4.27 -0.06 3.43 1.01 0.14 -1.87 120.40 127.01 3hxr s VAL 175 Ca 0.05 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3hxr s VAL 175 Cb -0.06 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 3hxr s VAL 175 CO -0.00 0.56 -0.24 0.54 0.00 0.00 0.00 175.10 175.96 3hxr s VAL 176 N -0.46 2.16 0.18 2.92 0.11 -0.75 -0.37 120.40 124.18 3hxr s VAL 176 Ca 0.08 -1.02 0.06 0.00 -2.93 0.00 0.00 61.98 58.17 3hxr s VAL 176 Cb -0.12 -1.79 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 3hxr s VAL 176 CO 0.02 0.57 0.08 -0.36 -3.33 0.00 0.00 175.10 172.08 3hxr s PHE 177 N -0.12 3.00 0.07 1.54 0.08 0.32 0.28 117.98 123.15 3hxr s PHE 177 Ca -0.05 -0.08 0.02 0.00 0.12 0.00 0.00 56.93 56.94 3hxr s PHE 177 Cb -0.14 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.84 3hxr s PHE 177 CO 0.04 0.52 -0.07 -0.48 -0.10 0.00 0.00 175.22 175.13 3hxr s LEU 178 N -3.10 2.40 0.31 -0.37 2.34 -0.24 -2.49 118.68 117.54 3hxr s LEU 178 Ca 0.30 -0.82 -0.00 0.00 0.06 0.00 0.00 54.13 53.67 3hxr s LEU 178 Cb -0.09 -0.10 0.51 0.00 -0.56 0.00 0.00 46.19 45.95 3hxr s LEU 178 CO 0.21 -0.36 1.97 1.05 -1.06 0.00 0.00 176.35 178.16 3hxr h GLU 179 N 3.61 1.00 -6.43 1.48 9.09 -1.84 -3.19 114.58 118.30 3hxr h GLU 179 Ca -0.35 -0.06 -0.62 0.00 0.05 0.00 0.00 59.36 58.37 3hxr h GLU 179 Cb 1.18 -0.23 0.07 0.00 -1.65 0.00 0.00 28.75 28.13 3hxr h GLU 179 CO 0.55 0.66 0.49 -0.25 0.05 0.00 0.00 179.01 180.51 3hxr n ASP 180 N -4.43 2.09 -4.65 3.06 8.00 -1.26 -4.35 116.55 115.01 3hxr n ASP 180 Ca 0.09 1.13 -0.48 0.00 0.71 0.00 0.00 54.79 56.25 3hxr n ASP 180 Cb 0.06 -1.31 -0.05 0.00 -0.02 0.00 0.00 41.12 39.81 3hxr n ASP 180 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hxr n GLY 181 N 2.35 0.90 0.00 0.44 0.00 -1.26 -4.65 105.19 102.97 3hxr n GLY 181 Ca 0.15 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.82 3hxr n GLY 181 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxr n GLY 182 N 3.07 2.38 3.60 -0.02 0.00 -1.20 -4.99 105.19 108.02 3hxr n GLY 182 Ca 0.17 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 3hxr n GLY 182 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3hxr s LEU 183 N 0.00 -0.04 0.11 0.99 0.05 -1.26 -1.08 118.68 117.45 3hxr s LEU 183 Ca 0.00 -0.52 0.04 0.00 0.05 0.00 0.00 54.13 53.69 3hxr s LEU 183 Cb 0.00 2.28 -0.04 0.00 -2.05 0.00 0.00 46.19 46.39 3hxr s LEU 183 CO 0.00 -1.13 -0.10 -0.22 -0.55 0.00 0.00 176.35 174.35 3hxr s LEU 184 N -2.89 2.44 -0.00 1.48 1.98 0.14 -4.70 118.68 117.12 3hxr s LEU 184 Ca 0.10 -0.87 -0.01 0.00 -2.89 0.00 0.00 54.13 50.47 3hxr s LEU 184 Cb -0.02 -0.28 -0.04 0.00 0.66 0.00 0.00 46.19 46.51 3hxr s LEU 184 CO 0.00 -0.30 0.09 -0.83 -1.89 0.00 0.00 176.35 173.42 3hxr s GLY 185 N -2.64 2.03 -0.31 7.98 0.00 0.65 -1.82 107.32 113.22 3hxr s GLY 185 Ca 0.08 -0.86 -0.05 0.00 0.00 0.00 0.00 44.72 43.88 3hxr s GLY 185 CO -0.00 -0.74 0.06 1.08 0.00 0.00 0.00 173.10 173.49 3hxr s LEU 186 N -1.76 3.95 0.00 0.66 1.43 -0.78 0.12 118.68 122.29 3hxr s LEU 186 Ca 0.23 -0.98 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 3hxr s LEU 186 Cb -0.12 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.28 3hxr s LEU 186 CO 0.14 -0.25 0.39 0.29 0.23 0.00 0.00 176.35 177.16 3hxr n LYS 187 N 4.78 2.08 0.00 1.70 4.76 -1.26 -3.80 118.16 126.42 3hxr n LYS 187 Ca -0.14 -0.39 0.00 0.00 -2.87 0.00 0.00 58.31 54.91 3hxr n LYS 187 Cb 0.46 -0.87 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 3hxr n LYS 187 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3hxr n LYS 188 N -0.33 0.00 -3.32 1.97 4.01 -1.26 -5.10 118.16 114.14 3hxr n LYS 188 Ca 0.01 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.70 3hxr n LYS 188 Cb 0.05 -0.27 -0.06 0.00 -0.51 0.00 0.00 35.03 34.25 3hxr n LYS 188 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 3hxr s TYR 204 N 0.00 -0.82 -0.07 2.13 -0.85 -1.23 -5.20 117.35 111.31 3hxr s TYR 204 Ca 0.00 -0.17 0.05 0.00 -0.52 0.00 0.00 57.07 56.43 3hxr s TYR 204 Cb 0.00 -0.20 -0.00 0.00 0.38 0.00 0.00 41.96 42.14 3hxr s TYR 204 CO 0.00 -1.01 -0.23 -0.51 -1.52 0.00 0.00 175.55 172.28 3hxr s LEU 205 N 1.98 2.04 0.04 -3.49 1.43 0.31 -4.92 118.68 116.08 3hxr s LEU 205 Ca 0.13 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3hxr s LEU 205 Cb -0.12 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3hxr s LEU 205 CO -0.16 0.19 -0.09 -0.54 0.23 0.00 0.00 176.35 175.98 3hxr s LYS 206 N 0.10 2.38 0.20 1.70 3.01 -1.26 0.24 119.74 126.10 3hxr s LYS 206 Ca -0.10 -0.85 0.04 0.00 -1.01 0.00 0.00 55.97 54.05 3hxr s LYS 206 Cb -0.15 -2.41 -0.03 0.00 -1.01 0.00 0.00 37.83 34.22 3hxr s LYS 206 CO 0.06 0.56 0.30 -1.12 0.51 0.00 0.00 175.35 175.66 3hxr s SER 207 N -1.71 6.20 -0.67 2.83 0.01 -1.26 -4.94 113.70 114.17 3hxr s SER 207 Ca 0.19 0.07 -0.25 0.00 1.31 0.00 0.00 55.95 57.26 3hxr s SER 207 Cb -0.11 -1.81 0.05 0.00 0.21 0.00 0.00 66.02 64.36 3hxr s SER 207 CO 0.10 -0.01 1.11 -0.22 0.41 0.00 0.00 173.24 174.62 3hxr s LEU 208 N -3.63 3.78 -0.45 2.44 0.20 -1.26 -4.85 118.68 114.91 3hxr s LEU 208 Ca 0.34 -0.60 0.04 0.00 0.69 0.00 0.00 54.13 54.59 3hxr s LEU 208 Cb -0.10 -2.59 0.24 0.00 -0.43 0.00 0.00 46.19 43.32 3hxr s LEU 208 CO 0.28 -1.58 0.96 0.35 -0.29 0.00 0.00 176.35 176.07 3hxr n THR 209 N 6.20 0.00 -3.08 3.68 -2.24 -1.26 -4.79 114.28 112.78 3hxr n THR 209 Ca 0.01 -1.23 -0.43 0.00 -2.27 0.00 0.00 64.05 60.12 3hxr n THR 209 Cb 0.47 1.34 -0.06 0.00 -2.10 0.00 0.00 70.33 69.98 3hxr n THR 209 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hxr s ARG 210 N 0.59 3.19 -0.31 -0.78 0.52 -1.26 -5.00 118.95 115.90 3hxr s ARG 210 Ca 0.30 -0.69 -0.11 0.00 -0.52 0.00 0.00 55.73 54.71 3hxr s ARG 210 Cb 0.20 -4.07 -0.02 0.00 0.52 0.00 0.00 34.95 31.58 3hxr s ARG 210 CO -0.19 -1.25 0.18 -0.06 0.02 0.00 0.00 175.30 174.00 3hxr s PHE 211 N 2.94 3.19 -0.15 -0.53 0.08 -1.26 -5.05 117.98 117.20 3hxr s PHE 211 Ca 0.19 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 56.95 3hxr s PHE 211 Cb -0.17 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 3hxr s PHE 211 CO 0.14 -0.36 -0.18 0.12 -0.10 0.00 0.00 175.22 174.84 3hxr s PHE 212 N 1.68 2.73 -0.16 0.36 5.36 -1.26 -5.09 117.98 121.60 3hxr s PHE 212 Ca 0.06 -1.17 -0.22 0.00 -0.96 0.00 0.00 56.93 54.64 3hxr s PHE 212 Cb -0.17 -1.85 -0.03 0.00 -0.34 0.00 0.00 43.02 40.63 3hxr s PHE 212 CO 0.08 -0.53 0.67 -1.54 -1.46 0.00 0.00 175.22 172.44 3hxr s SER 213 N 0.81 6.79 -0.00 6.13 1.04 -1.26 -4.87 113.70 122.34 3hxr s SER 213 Ca -0.06 0.96 0.11 0.00 0.48 0.00 0.00 55.95 57.44 3hxr s SER 213 Cb -0.15 -2.37 0.33 0.00 0.10 0.00 0.00 66.02 63.92 3hxr s SER 213 CO -0.01 -0.24 1.27 0.54 0.98 0.00 0.00 173.24 175.78 3hxr n ARG 214 N 4.73 2.87 0.00 4.02 1.74 -1.26 -4.53 116.66 124.22 3hxr n ARG 214 Ca -0.01 -2.09 0.00 0.00 -0.77 0.00 0.00 57.85 54.98 3hxr n ARG 214 Cb 0.50 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3hxr n ARG 214 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hxr n SER 215 N 0.59 0.00 0.00 0.55 2.88 -1.26 -5.39 113.62 110.98 3hxr n SER 215 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 3hxr n SER 215 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 3hxr n SER 215 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3hxr n SER 216 N 0.00 0.00 -4.86 -3.46 3.41 -1.26 -5.31 113.62 102.14 3hxr n SER 216 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 3hxr n SER 216 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3hxr n SER 216 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3hxr s ASP 219 N 0.00 6.44 0.08 4.04 3.84 -1.26 -4.92 116.67 124.88 3hxr s ASP 219 Ca 0.00 1.45 -0.15 0.00 -0.00 0.00 0.00 52.55 53.85 3hxr s ASP 219 Cb 0.00 -2.47 0.03 0.00 -1.38 0.00 0.00 42.92 39.10 3hxr s ASP 219 CO 0.00 -0.69 0.34 -0.47 -0.00 0.00 0.00 175.17 174.35 3hxr s TYR 220 N -2.85 -0.14 0.00 2.11 5.04 -1.26 -5.12 117.35 115.14 3hxr s TYR 220 Ca 0.56 -0.08 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 3hxr s TYR 220 Cb -0.10 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.36 3hxr s TYR 220 CO 0.41 -0.59 0.00 -0.40 -1.34 0.00 0.00 175.55 173.64 3hxr n ASP 221 N 0.22 0.00 0.00 4.32 5.68 -1.26 -4.67 116.55 120.84 3hxr n ASP 221 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 3hxr n ASP 221 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 3hxr n ASP 221 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3hxr n SER 222 N 3.14 0.00 -4.35 -1.12 2.88 -1.26 -4.58 113.62 108.33 3hxr n SER 222 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 3hxr n SER 222 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 3hxr n SER 222 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3hxr s VAL 223 N -2.10 3.18 -0.27 2.46 1.01 -1.26 0.15 120.40 123.57 3hxr s VAL 223 Ca 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3hxr s VAL 223 Cb 0.00 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3hxr s VAL 223 CO 0.00 0.49 0.67 -0.38 0.00 0.00 0.00 175.10 175.89 3hxr n ILE 224 N 3.94 0.21 -3.50 2.22 5.41 -0.74 -4.82 119.36 122.08 3hxr n ILE 224 Ca -0.18 -0.60 -0.10 0.00 1.00 0.00 0.00 62.75 62.87 3hxr n ILE 224 Cb 0.52 0.93 -0.03 0.00 -0.71 0.00 0.00 39.64 40.36 3hxr n ILE 224 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3hxr s SER 225 N -0.36 -0.41 0.21 4.38 0.15 -1.25 -2.87 113.70 113.55 3hxr s SER 225 Ca 0.03 0.08 -0.22 0.00 0.70 0.00 0.00 55.95 56.54 3hxr s SER 225 Cb 0.02 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.79 3hxr s SER 225 CO 0.03 -0.64 0.65 0.00 1.20 0.00 0.00 173.24 174.48 3hxr s LYS 227 N -3.83 1.32 -0.25 0.00 1.02 -0.57 -4.97 119.74 112.47 3hxr s LYS 227 Ca 0.05 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.47 3hxr s LYS 227 Cb -0.03 0.55 0.04 0.00 -0.52 0.00 0.00 37.83 37.87 3hxr s LYS 227 CO -0.04 -0.59 -0.10 -1.17 -0.92 0.00 0.00 175.35 172.53 3hxr s LEU 228 N -2.76 3.16 0.08 3.17 0.20 -1.26 -0.35 118.68 120.91 3hxr s LEU 228 Ca 0.05 -1.05 -0.28 0.00 0.69 0.00 0.00 54.13 53.53 3hxr s LEU 228 Cb -0.02 -1.60 -0.05 0.00 -0.43 0.00 0.00 46.19 44.09 3hxr s LEU 228 CO -0.07 -0.14 0.89 0.12 -0.29 0.00 0.00 176.35 176.86 3hxr s PHE 229 N 1.23 3.77 0.00 5.38 5.99 0.28 -4.83 117.98 129.80 3hxr s PHE 229 Ca -0.03 1.67 0.00 0.00 0.00 0.00 0.00 56.93 58.58 3hxr s PHE 229 Cb -0.17 -2.97 0.00 0.00 0.00 0.00 0.00 43.02 39.87 3hxr s PHE 229 CO -0.06 0.22 0.00 1.58 -0.00 0.00 0.00 175.22 176.96 3hxr n HIS 230 N 2.87 0.00 -0.06 10.12 -0.00 -1.26 -2.88 115.22 124.00 3hxr n HIS 230 Ca 0.01 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.13 3hxr n HIS 230 Cb 0.50 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.26 3hxr n HIS 230 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3hxr n GLU 231 N 14.00 1.77 -0.06 1.57 4.71 -1.26 -4.83 120.64 136.54 3hxr n GLU 231 Ca 0.00 -0.01 -0.04 0.00 -0.01 0.00 0.00 57.16 57.10 3hxr n GLU 231 Cb 0.00 -1.34 -0.13 0.00 -1.01 0.00 0.00 31.44 28.96 3hxr n GLU 231 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3hxr n ARG 232 N -2.46 1.13 -3.53 3.49 3.00 -1.21 -5.00 116.66 112.08 3hxr n ARG 232 Ca -0.21 -0.05 -0.38 0.00 -0.01 0.00 0.00 57.85 57.21 3hxr n ARG 232 Cb 0.90 -1.42 -0.10 0.00 0.00 0.00 0.00 32.46 31.84 3hxr n ARG 232 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3hxr s TYR 233 N -2.60 3.23 -0.38 -1.55 1.51 -1.14 -4.32 117.35 112.10 3hxr s TYR 233 Ca -0.08 0.21 -0.15 0.00 -1.01 0.00 0.00 57.07 56.04 3hxr s TYR 233 Cb 0.06 -2.44 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 3hxr s TYR 233 CO 0.69 -0.18 0.32 -0.51 -1.11 0.00 0.00 175.55 174.76 3hxr s LEU 234 N 1.85 4.78 -0.22 -1.29 1.43 -1.22 0.99 118.68 125.00 3hxr s LEU 234 Ca 0.09 -0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 52.41 3hxr s LEU 234 Cb -0.16 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 3hxr s LEU 234 CO 0.11 -0.39 0.50 -0.63 0.23 0.00 0.00 176.35 176.17 3hxr s ILE 235 N 1.84 5.10 0.25 -0.59 1.01 0.53 -2.66 121.20 126.68 3hxr s ILE 235 Ca 0.08 0.91 0.11 0.00 0.00 0.00 0.00 60.65 61.74 3hxr s ILE 235 Cb -0.18 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 3hxr s ILE 235 CO 0.11 0.16 -0.14 -0.69 0.00 0.00 0.00 174.94 174.38 3hxr s VAL 236 N 1.80 2.81 0.15 2.92 1.01 -0.36 -1.51 120.40 127.21 3hxr s VAL 236 Ca 0.23 -2.13 0.08 0.00 0.00 0.00 0.00 61.98 60.16 3hxr s VAL 236 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3hxr s VAL 236 CO 0.09 -0.32 -0.17 -0.22 0.00 0.00 0.00 175.10 174.49 3hxr s LEU 237 N -3.34 2.43 0.30 3.92 0.20 0.06 -0.59 118.68 121.67 3hxr s LEU 237 Ca 0.28 -0.85 0.10 0.00 0.69 0.00 0.00 54.13 54.35 3hxr s LEU 237 Cb -0.06 -0.76 -0.05 0.00 -0.43 0.00 0.00 46.19 44.89 3hxr s LEU 237 CO 0.16 -0.06 -0.04 0.42 -0.29 0.00 0.00 176.35 176.53 3hxr s THR 238 N -2.09 2.89 0.49 3.68 -4.23 0.99 -1.79 115.64 115.58 3hxr s THR 238 Ca 0.14 -2.04 0.38 0.00 -1.18 0.00 0.00 61.69 58.99 3hxr s THR 238 Cb -0.05 -2.71 0.40 0.00 1.34 0.00 0.00 72.50 71.48 3hxr s THR 238 CO 0.06 -0.30 2.23 -0.61 -0.54 0.00 0.00 174.62 175.45 3hxr h GLN 239 N 1.93 0.00 -0.24 3.99 5.75 0.11 -3.34 115.11 123.31 3hxr h GLN 239 Ca -0.43 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 3hxr h GLN 239 Cb 1.25 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 3hxr h GLN 239 CO 0.63 0.02 0.16 -0.91 -2.65 0.00 0.00 178.83 176.08 3hxr h ASN 240 N 0.00 0.28 -4.15 -0.69 4.21 -1.89 -3.48 115.58 109.87 3hxr h ASN 240 Ca -0.00 -0.02 -0.69 0.00 1.21 0.00 0.00 56.30 56.80 3hxr h ASN 240 Cb 0.17 -0.07 -0.25 0.00 -1.12 0.00 0.00 38.32 37.06 3hxr h ASN 240 CO 0.00 0.22 -0.87 0.00 -1.29 0.00 0.00 177.43 175.49 3hxr s HIS 242 N -0.90 0.26 0.07 0.00 -3.43 -1.26 -4.85 115.29 105.20 3hxr s HIS 242 Ca 0.13 -0.65 0.09 0.00 -0.80 0.00 0.00 55.06 53.83 3hxr s HIS 242 Cb -0.10 0.30 -0.03 0.00 -1.43 0.00 0.00 32.58 31.32 3hxr s HIS 242 CO 0.04 -1.06 -0.25 -0.48 -2.00 0.00 0.00 174.74 170.99 3hxr s LEU 243 N -3.01 2.31 -0.13 5.38 0.05 -1.05 -0.01 118.68 122.22 3hxr s LEU 243 Ca 0.20 -0.62 -0.00 0.00 0.05 0.00 0.00 54.13 53.76 3hxr s LEU 243 Cb -0.02 -1.31 0.03 0.00 -2.05 0.00 0.00 46.19 42.84 3hxr s LEU 243 CO 0.09 0.23 -0.09 -0.54 -0.55 0.00 0.00 176.35 175.49 3hxr s LYS 244 N -1.57 1.67 0.22 1.48 1.02 0.25 -2.00 119.74 120.81 3hxr s LYS 244 Ca 0.13 -0.37 -0.05 0.00 0.02 0.00 0.00 55.97 55.70 3hxr s LYS 244 Cb -0.10 -1.78 -0.05 0.00 -0.52 0.00 0.00 37.83 35.38 3hxr s LYS 244 CO 0.04 -0.29 0.47 0.42 -0.92 0.00 0.00 175.35 175.07 3hxr s ILE 245 N 1.65 5.09 0.05 2.17 1.01 -1.26 -1.23 121.20 128.68 3hxr s ILE 245 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.71 3hxr s ILE 245 Cb -0.13 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3hxr s ILE 245 CO -0.09 -0.15 -0.04 0.26 0.00 0.00 0.00 174.94 174.92 3hxr s TRP 246 N -1.88 0.57 -0.10 3.97 0.51 -1.09 -3.60 118.94 117.33 3hxr s TRP 246 Ca 0.42 -0.85 -0.25 0.00 -2.12 0.00 0.00 56.10 53.30 3hxr s TRP 246 Cb -0.11 -0.38 0.06 0.00 -0.81 0.00 0.00 33.47 32.23 3hxr s TRP 246 CO 0.27 -0.25 0.59 0.34 -0.51 0.00 0.00 176.95 177.39 3hxr s ASP 247 N -2.48 -0.56 -0.21 2.95 2.15 -1.25 -3.43 116.67 113.84 3hxr s ASP 247 Ca 0.01 0.75 0.01 0.00 0.43 0.00 0.00 52.55 53.75 3hxr s ASP 247 Cb 0.01 0.71 0.04 0.00 -0.30 0.00 0.00 42.92 43.38 3hxr s ASP 247 CO -0.06 -0.46 -0.11 -1.48 -0.17 0.00 0.00 175.17 172.90 3hxr s LEU 248 N -0.77 2.42 -1.15 -1.34 2.34 -1.26 -4.23 118.68 114.69 3hxr s LEU 248 Ca -0.08 -0.95 -0.15 0.00 0.06 0.00 0.00 54.13 53.01 3hxr s LEU 248 Cb -0.02 -1.28 -0.02 0.00 -0.56 0.00 0.00 46.19 44.31 3hxr s LEU 248 CO 0.06 -0.15 0.79 0.41 -1.06 0.00 0.00 176.35 176.41 3hxr n THR 249 N 4.65 -6.24 -0.25 5.48 -1.04 -1.26 -5.04 114.28 110.58 3hxr n THR 249 Ca -0.15 -0.97 0.09 0.00 -2.04 0.00 0.00 64.05 60.98 3hxr n THR 249 Cb 0.46 -4.64 0.34 0.00 -1.82 0.00 0.00 70.33 64.67 3hxr n THR 249 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3hxr h SER 250 N -1.73 0.70 -2.31 8.00 0.02 -1.97 -3.14 113.55 113.12 3hxr h SER 250 Ca -0.65 0.02 -0.59 0.00 -0.84 0.00 0.00 61.79 59.73 3hxr h SER 250 Cb 1.35 -0.12 -0.41 0.00 0.14 0.00 0.00 62.40 63.36 3hxr h SER 250 CO 0.49 0.41 -0.76 2.22 -1.14 0.00 0.00 176.83 178.04 3hxr n PHE 251 N -4.52 2.07 -3.92 3.45 1.16 -1.26 -4.44 117.46 109.99 3hxr n PHE 251 Ca 0.15 -3.94 -0.10 0.00 -1.87 0.00 0.00 57.45 51.68 3hxr n PHE 251 Cb 0.34 -0.43 -0.12 0.00 -1.61 0.00 0.00 39.48 37.66 3hxr n PHE 251 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 3hxr s THR 252 N -1.71 0.06 0.00 1.97 -4.23 -1.19 -4.71 115.64 105.83 3hxr s THR 252 Ca 0.35 -0.47 -0.28 0.00 -1.18 0.00 0.00 61.69 60.12 3hxr s THR 252 Cb 0.11 -0.15 0.09 0.00 1.34 0.00 0.00 72.50 73.90 3hxr s THR 252 CO -0.08 -0.26 0.81 -1.48 -0.54 0.00 0.00 174.62 173.07 3hxr s LEU 253 N -0.75 -0.46 0.17 4.79 0.05 -1.26 -3.92 118.68 117.31 3hxr s LEU 253 Ca -0.08 0.16 -0.13 0.00 0.05 0.00 0.00 54.13 54.13 3hxr s LEU 253 Cb -0.05 2.21 0.08 0.00 -2.05 0.00 0.00 46.19 46.38 3hxr s LEU 253 CO -0.00 -0.66 1.79 0.40 -0.55 0.00 0.00 176.35 177.32 3hxr h ILE 254 N 2.23 1.19 0.00 1.48 2.04 -1.95 -3.48 117.51 119.01 3hxr h ILE 254 Ca -0.25 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3hxr h ILE 254 Cb 1.23 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3hxr h ILE 254 CO 0.34 0.21 0.00 1.67 0.00 0.00 0.00 178.15 180.36 3hxr n GLN 255 N -4.59 -2.05 -1.62 2.37 7.27 -1.26 -4.92 117.38 112.58 3hxr n GLN 255 Ca 0.04 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.69 3hxr n GLN 255 Cb 0.09 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.73 3hxr n GLN 255 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 3hxr n ASP 256 N 3.00 4.01 -4.77 1.69 5.75 -1.26 -4.29 116.55 120.68 3hxr n ASP 256 Ca 0.00 -2.80 -0.40 0.00 -0.01 0.00 0.00 54.79 51.58 3hxr n ASP 256 Cb 0.00 -1.58 -0.02 0.00 -1.03 0.00 0.00 41.12 38.50 3hxr n ASP 256 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3hxr s TYR 257 N 3.37 2.97 0.00 2.11 1.51 -0.85 -4.91 117.35 121.55 3hxr s TYR 257 Ca 0.50 1.42 0.00 0.00 -1.01 0.00 0.00 57.07 57.98 3hxr s TYR 257 Cb 0.14 -3.66 0.00 0.00 -0.11 0.00 0.00 41.96 38.34 3hxr s TYR 257 CO -0.06 -1.90 0.00 -3.47 -1.11 0.00 0.00 175.55 169.01 3hxr n ASP 258 N 0.51 3.13 0.00 2.29 2.03 -1.26 -2.52 116.55 120.72 3hxr n ASP 258 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 3hxr n ASP 258 Cb 0.43 0.44 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 3hxr n ASP 258 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3hxr n VAL 260 N -1.23 0.00 -0.06 5.18 0.31 -1.26 -4.36 118.33 116.91 3hxr n VAL 260 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3hxr n VAL 260 Cb 0.18 -0.12 0.04 0.00 -0.91 0.00 0.00 33.84 33.03 3hxr n VAL 260 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3hxr h SER 261 N 0.00 0.81 0.31 4.52 0.02 -1.96 -3.21 113.55 114.04 3hxr h SER 261 Ca 0.00 -0.37 -0.33 0.00 -0.84 0.00 0.00 61.79 60.26 3hxr h SER 261 Cb 0.00 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 3hxr h SER 261 CO 0.00 1.11 -1.90 1.67 -1.14 0.00 0.00 176.83 176.57 3hxr n GLN 262 N -4.04 0.68 -1.69 3.45 7.27 -1.26 -4.94 117.38 116.85 3hxr n GLN 262 Ca -0.02 0.25 -0.44 0.00 0.07 0.00 0.00 57.00 56.86 3hxr n GLN 262 Cb 0.54 -1.73 -0.02 0.00 2.41 0.00 0.00 30.24 31.44 3hxr n GLN 262 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3hxr n SER 263 N -3.15 2.99 0.00 1.69 7.64 -1.21 -4.64 113.62 116.93 3hxr n SER 263 Ca -0.24 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.78 3hxr n SER 263 Cb 1.06 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 3hxr n SER 263 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3hxr n ASP 264 N 2.14 0.00 -4.68 6.43 -0.08 -1.26 -4.85 116.55 114.24 3hxr n ASP 264 Ca 0.11 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.96 3hxr n ASP 264 Cb 0.33 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.78 3hxr n ASP 264 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3hxr n SER 265 N 5.31 2.51 -4.55 1.67 3.41 -1.26 -4.95 113.62 115.76 3hxr n SER 265 Ca 0.00 1.20 -0.38 0.00 -0.26 0.00 0.00 58.87 59.43 3hxr n SER 265 Cb 0.00 -1.45 -0.11 0.00 -0.26 0.00 0.00 64.21 62.39 3hxr n SER 265 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hxr s ASP 266 N -0.29 5.83 0.53 4.04 -0.00 -1.26 -4.90 116.67 120.61 3hxr s ASP 266 Ca 0.57 -0.09 -0.14 0.00 -0.00 0.00 0.00 52.55 52.89 3hxr s ASP 266 Cb -0.60 -2.08 -0.10 0.00 -0.00 0.00 0.00 42.92 40.14 3hxr s ASP 266 CO 0.61 -0.06 -0.79 -2.65 -0.00 0.00 0.00 175.17 172.27 3hxr n PRO 267 N 5.03 0.00 -3.30 8.23 -0.02 -1.26 -5.14 135.00 138.54 3hxr n PRO 267 Ca -0.14 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 60.95 3hxr n PRO 267 Cb 0.52 -0.53 -0.07 0.00 -0.02 0.00 0.00 33.50 33.40 3hxr n PRO 267 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hxr s VAL 276 N -1.06 5.14 0.00 -1.45 1.01 -1.26 -5.12 120.40 117.66 3hxr s VAL 276 Ca 0.19 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.03 3hxr s VAL 276 Cb 0.04 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3hxr s VAL 276 CO 0.36 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3hxr n GLY 277 N 3.90 2.21 3.21 4.51 0.00 -1.14 -5.10 105.19 112.78 3hxr n GLY 277 Ca -0.06 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 3hxr n GLY 277 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hxr n GLU 278 N 0.00 3.37 -0.82 1.61 4.07 -1.26 -4.51 120.64 123.10 3hxr n GLU 278 Ca 0.00 -4.48 0.01 0.00 -0.06 0.00 0.00 57.16 52.62 3hxr n GLU 278 Cb 0.00 -2.50 0.30 0.00 -0.06 0.00 0.00 31.44 29.19 3hxr n GLU 278 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3hxr n TYR 279 N 2.35 1.84 -3.91 4.31 4.01 -1.26 -4.49 117.16 120.01 3hxr n TYR 279 Ca 0.24 -1.07 -0.11 0.00 -0.16 0.00 0.00 57.90 56.81 3hxr n TYR 279 Cb 0.38 -0.54 -0.12 0.00 -0.31 0.00 0.00 39.34 38.76 3hxr n TYR 279 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hxr s LEU 280 N -2.94 1.90 -0.22 7.72 1.43 -1.26 -2.44 118.68 122.86 3hxr s LEU 280 Ca 0.51 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.23 3hxr s LEU 280 Cb 0.41 0.29 0.06 0.00 0.03 0.00 0.00 46.19 46.97 3hxr s LEU 280 CO 0.11 -0.22 0.57 -0.55 0.23 0.00 0.00 176.35 176.49 3hxr s SER 281 N -0.92 -0.66 -0.06 2.29 0.15 -1.07 -4.88 113.70 108.55 3hxr s SER 281 Ca -0.10 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.73 3hxr s SER 281 Cb -0.06 1.14 0.02 0.00 -1.71 0.00 0.00 66.02 65.42 3hxr s SER 281 CO 0.00 -0.21 -0.04 -1.48 1.20 0.00 0.00 173.24 172.72 3hxr s LEU 282 N 0.78 1.07 -0.14 3.45 0.05 -1.26 -1.74 118.68 120.89 3hxr s LEU 282 Ca -0.04 -0.15 0.02 0.00 0.05 0.00 0.00 54.13 54.01 3hxr s LEU 282 Cb -0.05 -0.52 0.00 0.00 -2.05 0.00 0.00 46.19 43.57 3hxr s LEU 282 CO -0.06 -0.11 -0.19 -0.47 -0.55 0.00 0.00 176.35 174.97 3hxr s TYR 283 N 1.38 2.69 0.00 3.48 6.14 0.11 -4.95 117.35 126.21 3hxr s TYR 283 Ca -0.03 -1.12 0.00 0.00 0.64 0.00 0.00 57.07 56.55 3hxr s TYR 283 Cb -0.13 -1.82 0.00 0.00 0.42 0.00 0.00 41.96 40.43 3hxr s TYR 283 CO -0.03 -0.49 0.00 0.09 0.64 0.00 0.00 175.55 175.76 3hxr n ASN 284 N 3.90 0.00 -0.25 4.32 3.02 -1.26 0.73 115.26 125.71 3hxr n ASN 284 Ca -0.19 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.50 3hxr n ASN 284 Cb 0.52 0.00 0.63 0.00 -0.61 0.00 0.00 39.78 40.32 3hxr n ASN 284 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hxr n ASN 285 N 2.70 0.84 -4.71 6.41 3.02 -1.26 -4.82 115.26 117.45 3hxr n ASN 285 Ca 0.00 -1.09 -0.36 0.00 -0.03 0.00 0.00 54.58 53.10 3hxr n ASN 285 Cb 0.00 -0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 3hxr n ASN 285 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hxr s THR 286 N -2.17 5.31 -0.05 3.41 2.01 0.22 -4.68 115.64 119.70 3hxr s THR 286 Ca 0.37 0.45 0.05 0.00 0.31 0.00 0.00 61.69 62.87 3hxr s THR 286 Cb 0.21 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.11 3hxr s THR 286 CO 0.40 0.36 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.27 3hxr s LEU 287 N 0.71 1.97 -0.14 4.42 2.96 -0.72 0.10 118.68 127.98 3hxr s LEU 287 Ca 0.14 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 3hxr s LEU 287 Cb -0.13 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.44 3hxr s LEU 287 CO 0.04 0.18 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.37 3hxr s VAL 288 N -0.00 2.39 -0.05 1.68 1.01 -0.71 -2.04 120.40 122.68 3hxr s VAL 288 Ca -0.05 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3hxr s VAL 288 Cb -0.13 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3hxr s VAL 288 CO 0.03 0.54 -0.24 0.42 0.00 0.00 0.00 175.10 175.85 3hxr s THR 289 N 0.69 1.94 -0.16 3.92 -4.23 0.52 -2.60 115.64 115.72 3hxr s THR 289 Ca -0.09 -1.02 -0.09 0.00 -1.18 0.00 0.00 61.69 59.32 3hxr s THR 289 Cb -0.16 -1.64 -0.05 0.00 1.34 0.00 0.00 72.50 72.00 3hxr s THR 289 CO 0.01 0.54 0.14 -0.22 -0.54 0.00 0.00 174.62 174.55 3hxr s LEU 290 N -0.24 4.29 0.25 4.79 1.98 -1.02 0.29 118.68 129.02 3hxr s LEU 290 Ca -0.00 0.34 0.09 0.00 -2.89 0.00 0.00 54.13 51.67 3hxr s LEU 290 Cb -0.12 -2.08 -0.04 0.00 0.66 0.00 0.00 46.19 44.60 3hxr s LEU 290 CO 0.02 0.28 -0.03 -0.76 -1.89 0.00 0.00 176.35 173.98 3hxr s LEU 291 N -0.26 3.13 0.12 -0.68 1.43 0.53 -4.87 118.68 118.09 3hxr s LEU 291 Ca 0.11 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.41 3hxr s LEU 291 Cb -0.11 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3hxr s LEU 291 CO 0.01 0.02 1.58 -0.65 0.23 0.00 0.00 176.35 177.54 3hxr h PRO 292 N 2.10 0.66 0.00 1.29 0.11 -1.90 -2.87 132.00 131.39 3hxr h PRO 292 Ca -0.44 -0.19 -0.04 0.00 0.11 0.00 0.00 66.00 65.43 3hxr h PRO 292 Cb 1.24 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3hxr h PRO 292 CO 0.59 0.74 -0.03 1.47 -0.21 0.00 0.00 178.00 180.56 3hxr n LEU 293 N -4.50 0.00 -0.11 2.35 -0.00 -1.26 -4.60 117.00 108.88 3hxr n LEU 293 Ca -0.01 -0.38 -0.13 0.00 -0.00 0.00 0.00 56.01 55.49 3hxr n LEU 293 Cb 0.26 0.30 -0.03 0.00 -0.00 0.00 0.00 43.42 43.94 3hxr n LEU 293 CO 0.40 -0.08 0.59 -0.33 -0.00 0.00 0.00 177.39 177.96 3hxr h GLU 294 N 0.00 0.77 -6.17 1.47 3.07 -1.99 -3.37 114.58 108.36 3hxr h GLU 294 Ca -0.03 -0.39 -0.51 0.00 -0.50 0.00 0.00 59.36 57.93 3hxr h GLU 294 Cb 0.16 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.02 3hxr h GLU 294 CO 0.05 1.02 -0.48 1.21 -1.40 0.00 0.00 179.01 179.40 3hxr s ASN 295 N -6.59 5.14 -0.23 1.42 2.47 -1.26 -4.97 114.94 110.91 3hxr s ASN 295 Ca -0.12 -0.55 -0.38 0.00 0.42 0.00 0.00 52.86 52.23 3hxr s ASN 295 Cb 0.09 -0.94 -0.14 0.00 -1.45 0.00 0.00 41.25 38.81 3hxr s ASN 295 CO 0.84 -0.31 1.82 0.61 -3.72 0.00 0.00 177.10 176.34 3hxr n GLY 296 N -1.29 1.01 3.51 1.21 0.00 -1.26 -4.83 105.19 103.54 3hxr n GLY 296 Ca -0.03 0.92 -0.37 0.00 0.00 0.00 0.00 46.02 46.54 3hxr n GLY 296 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hxr s LEU 297 N 4.00 3.63 -0.34 0.99 1.43 -1.09 -2.21 118.68 125.10 3hxr s LEU 297 Ca 0.98 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.85 3hxr s LEU 297 Cb -0.95 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 43.29 3hxr s LEU 297 CO 0.61 -0.01 0.20 -0.36 0.23 0.00 0.00 176.35 177.02 3hxr s PHE 298 N 1.46 3.21 0.00 0.29 2.99 0.84 0.20 117.98 126.97 3hxr s PHE 298 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 56.93 56.46 3hxr s PHE 298 Cb -0.15 -2.42 0.00 0.00 0.00 0.00 0.00 43.02 40.45 3hxr s PHE 298 CO 0.05 -0.47 0.00 0.94 -0.00 0.00 0.00 175.22 175.74 3hxr n GLN 299 N 5.03 0.87 0.00 0.44 -0.06 0.85 0.78 117.38 125.30 3hxr n GLN 299 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.87 3hxr n GLN 299 Cb 0.49 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.67 3hxr n GLN 299 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hxr n GLY 301 N 5.00 3.58 3.73 1.69 0.00 -0.87 0.20 105.19 118.52 3hxr n GLY 301 Ca 0.00 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3hxr n GLY 301 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxr s THR 302 N -1.02 1.14 -0.24 2.61 -4.23 -1.25 -1.75 115.64 110.90 3hxr s THR 302 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3hxr s THR 302 Cb 0.00 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3hxr s THR 302 CO 0.00 0.00 0.00 1.07 -0.54 0.00 0.00 174.62 175.15 3hxr n THR 314 N -1.21 0.00 -2.27 3.99 5.66 -1.26 -2.47 114.28 116.72 3hxr n THR 314 Ca -0.17 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.45 3hxr n THR 314 Cb 0.67 -0.09 -0.01 0.00 -1.55 0.00 0.00 70.33 69.35 3hxr n THR 314 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 3hxr s PHE 315 N -0.24 2.97 -0.49 1.09 0.08 -1.26 -5.00 117.98 115.13 3hxr s PHE 315 Ca 0.00 1.54 0.07 0.00 0.12 0.00 0.00 56.93 58.66 3hxr s PHE 315 Cb 0.00 -3.39 0.24 0.00 -0.57 0.00 0.00 43.02 39.29 3hxr s PHE 315 CO 0.00 -1.43 0.57 1.04 -0.10 0.00 0.00 175.22 175.30 3hxr n GLN 316 N -0.20 1.30 -3.65 0.44 1.13 -1.03 -5.08 117.38 110.29 3hxr n GLN 316 Ca 0.06 -3.76 -0.09 0.00 -1.94 0.00 0.00 57.00 51.27 3hxr n GLN 316 Cb 0.47 -1.66 -0.08 0.00 0.11 0.00 0.00 30.24 29.08 3hxr n GLN 316 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3hxr s ASN 317 N -1.48 -0.81 0.00 1.08 -0.87 -1.23 -4.87 114.94 106.76 3hxr s ASN 317 Ca 0.36 1.35 0.00 0.00 -1.57 0.00 0.00 52.86 52.99 3hxr s ASN 317 Cb 0.14 1.25 0.00 0.00 -0.02 0.00 0.00 41.25 42.61 3hxr s ASN 317 CO -0.09 -0.23 0.00 -3.20 -2.57 0.00 0.00 177.10 171.01 3hxr n ASN 318 N 4.03 0.00 -4.56 -1.22 2.85 -1.26 -3.86 115.26 111.24 3hxr n ASN 318 Ca -0.20 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 53.92 3hxr n ASN 318 Cb 0.58 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.49 3hxr n ASN 318 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 3hxr s ILE 319 N -2.83 4.64 0.71 -1.44 -1.16 -1.26 -4.86 121.20 115.00 3hxr s ILE 319 Ca 0.00 -0.08 -0.12 0.00 -0.51 0.00 0.00 60.65 59.94 3hxr s ILE 319 Cb 0.00 -3.12 0.02 0.00 0.61 0.00 0.00 42.46 39.97 3hxr s ILE 319 CO 0.00 0.41 1.08 -2.16 -2.81 0.00 0.00 174.94 171.46 3hxr s PRO 320 N 0.87 2.67 0.11 3.50 0.04 -1.26 -4.92 135.00 136.01 3hxr s PRO 320 Ca 0.04 1.15 0.08 0.00 0.04 0.00 0.00 61.00 62.31 3hxr s PRO 320 Cb -0.14 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3hxr s PRO 320 CO 0.03 -1.33 -0.19 0.95 0.04 0.00 0.00 177.00 176.50 3hxr s THR 321 N -2.79 1.62 0.99 1.26 -4.23 0.23 -4.93 115.64 107.80 3hxr s THR 321 Ca 0.62 -1.58 -0.16 0.00 -1.18 0.00 0.00 61.69 59.39 3hxr s THR 321 Cb -0.17 -1.53 0.21 0.00 1.34 0.00 0.00 72.50 72.36 3hxr s THR 321 CO 0.51 -0.14 1.29 0.20 -0.54 0.00 0.00 174.62 175.94 3hxr s ASN 322 N -2.03 2.83 0.25 3.99 0.01 -1.26 -0.11 114.94 118.63 3hxr s ASN 322 Ca 0.07 0.32 0.08 0.00 -0.71 0.00 0.00 52.86 52.62 3hxr s ASN 322 Cb -0.09 -0.39 -0.05 0.00 0.41 0.00 0.00 41.25 41.13 3hxr s ASN 322 CO 0.04 -2.91 -0.11 -0.76 -1.51 0.00 0.00 177.10 171.85 3hxr s LEU 323 N -6.03 2.54 -0.17 0.60 1.43 -0.94 -4.74 118.68 111.37 3hxr s LEU 323 Ca 0.73 -1.10 -0.10 0.00 -1.03 0.00 0.00 54.13 52.64 3hxr s LEU 323 Cb -0.05 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 3hxr s LEU 323 CO 0.53 -0.21 0.16 -0.44 0.23 0.00 0.00 176.35 176.62 3hxr s SER 324 N -3.41 6.30 0.15 2.29 0.01 -1.26 -4.77 113.70 113.01 3hxr s SER 324 Ca 0.27 0.34 -0.23 0.00 1.31 0.00 0.00 55.95 57.64 3hxr s SER 324 Cb 0.01 -2.10 0.07 0.00 0.21 0.00 0.00 66.02 64.21 3hxr s SER 324 CO 0.11 0.23 0.61 0.00 0.41 0.00 0.00 173.24 174.60 3hxr s ALA 325 N -0.03 -1.61 0.13 1.44 0.00 -1.26 -5.01 121.76 115.42 3hxr s ALA 325 Ca 0.11 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.58 3hxr s ALA 325 Cb -0.12 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3hxr s ALA 325 CO 0.01 -0.76 0.00 0.45 0.00 0.00 0.00 175.76 175.45 3hxr n SER 326 N -0.36 -0.08 -1.83 0.00 2.88 -1.26 -5.12 113.62 107.85 3hxr n SER 326 Ca -0.17 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3hxr n SER 326 Cb 0.65 0.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 3hxr n SER 326 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hxr n ALA 327 N -2.93 0.00 -2.71 -1.46 0.00 -1.26 -5.04 120.51 107.11 3hxr n ALA 327 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3hxr n ALA 327 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3hxr n ALA 327 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hxr s ILE 328 N 0.41 5.05 -0.00 0.00 -1.09 -1.26 -5.06 121.20 119.24 3hxr s ILE 328 Ca 0.00 0.08 0.06 0.00 -2.23 0.00 0.00 60.65 58.56 3hxr s ILE 328 Cb 0.00 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 3hxr s ILE 328 CO 0.00 0.28 -0.18 0.26 -1.23 0.00 0.00 174.94 174.07 3hxr s TRP 329 N 1.70 2.59 -0.10 3.97 0.52 -1.26 -4.56 118.94 121.79 3hxr s TRP 329 Ca 0.07 -0.24 0.03 0.00 0.02 0.00 0.00 56.10 55.97 3hxr s TRP 329 Cb -0.16 -1.54 0.01 0.00 -1.15 0.00 0.00 33.47 30.64 3hxr s TRP 329 CO 0.09 0.18 -0.19 -1.54 0.02 0.00 0.00 176.95 175.52 3hxr s SER 330 N -1.04 2.61 0.27 2.95 1.04 -1.07 -4.94 113.70 113.52 3hxr s SER 330 Ca 0.13 -0.47 -0.30 0.00 0.48 0.00 0.00 55.95 55.79 3hxr s SER 330 Cb -0.10 -1.19 -0.11 0.00 0.10 0.00 0.00 66.02 64.72 3hxr s SER 330 CO 0.02 0.08 1.53 -0.51 0.98 0.00 0.00 173.24 175.34 3hxr s ILE 331 N 0.67 2.33 -0.23 -1.02 2.07 -1.26 -1.96 121.20 121.79 3hxr s ILE 331 Ca -0.13 0.28 -0.13 0.00 -1.41 0.00 0.00 60.65 59.26 3hxr s ILE 331 Cb -0.16 -3.18 -0.17 0.00 0.13 0.00 0.00 42.46 39.08 3hxr s ILE 331 CO 0.03 0.04 -0.06 0.52 -1.91 0.00 0.00 174.94 173.56 3hxr n VAL 332 N 2.27 1.56 -3.76 4.00 0.31 0.90 -4.85 118.33 118.75 3hxr n VAL 332 Ca 0.08 -0.35 -0.08 0.00 -0.01 0.00 0.00 64.34 63.98 3hxr n VAL 332 Cb 0.39 -1.83 -0.02 0.00 -0.91 0.00 0.00 33.84 31.46 3hxr n VAL 332 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hxr s ASP 333 N -7.08 -0.32 -0.20 4.52 3.68 -1.19 -4.73 116.67 111.35 3hxr s ASP 333 Ca -0.33 -0.48 -0.10 0.00 2.13 0.00 0.00 52.55 53.77 3hxr s ASP 333 Cb 0.10 0.69 0.07 0.00 -1.45 0.00 0.00 42.92 42.33 3hxr s ASP 333 CO 0.58 -1.25 0.46 -0.22 0.13 0.00 0.00 175.17 174.87 3hxr s LEU 334 N -2.88 -0.36 -0.06 -1.34 0.20 -1.26 -1.41 118.68 111.57 3hxr s LEU 334 Ca 0.09 1.03 -0.02 0.00 0.69 0.00 0.00 54.13 55.91 3hxr s LEU 334 Cb -0.04 1.53 0.03 0.00 -0.43 0.00 0.00 46.19 47.28 3hxr s LEU 334 CO 0.02 -0.21 0.13 -0.69 -0.29 0.00 0.00 176.35 175.31 3hxr s VAL 335 N 1.71 -0.05 -0.23 1.68 1.01 -0.47 -4.77 120.40 119.29 3hxr s VAL 335 Ca -0.08 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 3hxr s VAL 335 Cb -0.09 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.11 3hxr s VAL 335 CO -0.14 0.07 -0.09 -0.22 0.00 0.00 0.00 175.10 174.72 3hxr s LEU 336 N 1.06 2.98 0.00 3.92 2.96 -1.26 -0.14 118.68 128.20 3hxr s LEU 336 Ca -0.08 -0.84 0.01 0.00 -0.22 0.00 0.00 54.13 52.99 3hxr s LEU 336 Cb -0.11 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 3hxr s LEU 336 CO -0.05 -0.10 0.23 0.35 -1.32 0.00 0.00 176.35 175.46 3hxr n THR 337 N 4.64 0.00 -0.59 3.68 -2.24 0.13 -4.43 114.28 115.48 3hxr n THR 337 Ca -0.17 -1.09 -0.30 0.00 -2.27 0.00 0.00 64.05 60.22 3hxr n THR 337 Cb 0.47 0.62 0.21 0.00 -2.10 0.00 0.00 70.33 69.53 3hxr n THR 337 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hxr s ARG 338 N -2.54 0.02 0.54 -0.78 3.03 -1.26 -0.89 118.95 117.06 3hxr s ARG 338 Ca 0.18 1.23 -0.20 0.00 2.03 0.00 0.00 55.73 58.97 3hxr s ARG 338 Cb 0.00 -1.63 -0.06 0.00 -1.03 0.00 0.00 34.95 32.23 3hxr s ARG 338 CO 0.13 -3.21 1.15 -2.14 -1.13 0.00 0.00 175.30 170.10 3hxr s PRO 339 N -4.54 3.37 0.16 3.89 0.02 -1.26 -4.14 135.00 132.50 3hxr s PRO 339 Ca 0.68 1.68 0.06 0.00 0.02 0.00 0.00 61.00 63.44 3hxr s PRO 339 Cb -0.24 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.17 3hxr s PRO 339 CO 0.61 -0.85 0.05 -0.51 -0.33 0.00 0.00 177.00 175.97 3hxr s LEU 340 N -3.69 3.51 0.00 -5.54 1.43 -1.26 -5.01 118.68 108.12 3hxr s LEU 340 Ca 0.72 -0.28 -0.32 0.00 -1.03 0.00 0.00 54.13 53.22 3hxr s LEU 340 Cb -0.26 -2.15 -0.10 0.00 0.03 0.00 0.00 46.19 43.71 3hxr s LEU 340 CO 0.29 0.09 1.92 -0.62 0.23 0.00 0.00 176.35 178.27 3hxr n GLU 341 N -0.14 2.61 -3.97 1.70 1.02 -1.26 -4.95 120.64 115.65 3hxr n GLU 341 Ca -0.09 0.96 -0.09 0.00 -0.02 0.00 0.00 57.16 57.92 3hxr n GLU 341 Cb 0.55 -2.87 -0.10 0.00 -0.02 0.00 0.00 31.44 29.00 3hxr n GLU 341 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 3hxr s LEU 342 N 4.09 2.06 -0.88 -4.62 0.05 -1.26 -5.06 118.68 113.05 3hxr s LEU 342 Ca 0.89 -0.60 -0.23 0.00 0.05 0.00 0.00 54.13 54.25 3hxr s LEU 342 Cb -0.53 0.37 0.06 0.00 -2.05 0.00 0.00 46.19 44.05 3hxr s LEU 342 CO 0.45 -0.45 1.27 0.21 -0.55 0.00 0.00 176.35 177.27 3hxr s ASN 343 N -2.03 6.39 0.25 1.48 3.84 -1.26 -4.85 114.94 118.75 3hxr s ASN 343 Ca -0.07 -1.25 -0.21 0.00 0.21 0.00 0.00 52.86 51.54 3hxr s ASN 343 Cb -0.02 -2.51 0.03 0.00 -0.55 0.00 0.00 41.25 38.20 3hxr s ASN 343 CO -0.04 -1.49 0.68 -0.69 -2.79 0.00 0.00 177.10 172.77 3hxr s VAL 344 N 4.56 0.00 0.94 -5.21 1.01 -1.26 -5.16 120.40 115.29 3hxr s VAL 344 Ca 0.37 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 3hxr s VAL 344 Cb -0.06 -1.73 0.17 0.00 0.00 0.00 0.00 36.38 34.76 3hxr s VAL 344 CO -0.01 -0.00 1.22 -1.61 0.00 0.00 0.00 175.10 174.70 3hxr s GLU 345 N -3.88 0.83 0.30 2.72 2.02 -1.26 -4.92 118.70 114.52 3hxr s GLU 345 Ca 0.08 -0.07 -0.29 0.00 0.02 0.00 0.00 54.97 54.71 3hxr s GLU 345 Cb -0.05 -1.84 -0.13 0.00 0.10 0.00 0.00 34.13 32.22 3hxr s GLU 345 CO 0.02 -2.34 1.36 0.00 0.02 0.00 0.00 175.26 174.32 3hxr n ALA 346 N -3.79 1.37 -2.70 5.21 0.00 -1.26 -5.00 120.51 114.34 3hxr n ALA 346 Ca 0.11 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 3hxr n ALA 346 Cb 0.60 -2.28 -0.14 0.00 0.00 0.00 0.00 19.45 17.63 3hxr n ALA 346 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hxr s SER 347 N -0.03 1.24 0.00 0.00 1.04 -1.25 -4.61 113.70 110.09 3hxr s SER 347 Ca 0.60 -0.33 0.23 0.00 0.48 0.00 0.00 55.95 56.93 3hxr s SER 347 Cb -0.59 -0.09 0.07 0.00 0.10 0.00 0.00 66.02 65.51 3hxr s SER 347 CO 0.57 0.03 1.11 0.00 0.98 0.00 0.00 173.24 175.93 3hxr n TYR 348 N 2.27 0.00 -3.98 5.02 4.19 1.73 -4.86 117.16 121.53 3hxr n TYR 348 Ca -0.17 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 60.93 3hxr n TYR 348 Cb 0.56 -0.07 -0.03 0.00 0.49 0.00 0.00 39.34 40.29 3hxr n TYR 348 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 3hxr s LEU 349 N -2.89 0.51 -0.05 2.98 1.43 -1.20 -4.72 118.68 114.75 3hxr s LEU 349 Ca 0.12 -1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 51.99 3hxr s LEU 349 Cb 0.17 1.95 0.03 0.00 0.03 0.00 0.00 46.19 48.37 3hxr s LEU 349 CO 0.76 -1.35 0.08 0.20 0.23 0.00 0.00 176.35 176.26 3hxr s ASN 350 N -3.12 0.93 -0.33 2.29 -0.87 -0.07 -3.04 114.94 110.73 3hxr s ASN 350 Ca 0.24 0.13 -0.05 0.00 -1.57 0.00 0.00 52.86 51.61 3hxr s ASN 350 Cb -0.02 -0.05 0.04 0.00 -0.02 0.00 0.00 41.25 41.20 3hxr s ASN 350 CO 0.14 -0.23 0.07 -0.22 -2.57 0.00 0.00 177.10 174.29 3hxr s LEU 351 N 2.05 4.17 -0.11 0.60 2.96 -0.34 -0.69 118.68 127.32 3hxr s LEU 351 Ca 0.03 -1.18 -0.22 0.00 -0.22 0.00 0.00 54.13 52.54 3hxr s LEU 351 Cb -0.12 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3hxr s LEU 351 CO -0.04 -0.30 0.64 -0.63 -1.32 0.00 0.00 176.35 174.71 3hxr s ILE 352 N 1.35 5.06 -0.04 6.68 1.01 0.80 -0.53 121.20 135.53 3hxr s ILE 352 Ca -0.03 1.29 0.04 0.00 0.00 0.00 0.00 60.65 61.96 3hxr s ILE 352 Cb -0.20 -3.98 -0.00 0.00 0.01 0.00 0.00 42.46 38.29 3hxr s ILE 352 CO 0.02 0.22 -0.17 -0.69 0.00 0.00 0.00 174.94 174.32 3hxr s VAL 353 N 1.08 1.43 -0.15 2.92 1.01 0.17 -1.37 120.40 125.49 3hxr s VAL 353 Ca 0.33 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3hxr s VAL 353 Cb -0.17 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 3hxr s VAL 353 CO 0.14 0.41 -0.16 -0.22 0.00 0.00 0.00 175.10 175.27 3hxr s LEU 354 N 0.01 2.43 0.28 3.92 0.20 -0.50 -1.37 118.68 123.65 3hxr s LEU 354 Ca -0.03 -0.48 0.10 0.00 0.69 0.00 0.00 54.13 54.41 3hxr s LEU 354 Cb -0.11 -1.54 -0.05 0.00 -0.43 0.00 0.00 46.19 44.06 3hxr s LEU 354 CO 0.02 0.09 -0.07 0.26 -0.29 0.00 0.00 176.35 176.36 3hxr s TRP 355 N 0.75 2.52 -0.15 5.38 0.51 0.85 -0.07 118.94 128.74 3hxr s TRP 355 Ca -0.07 -0.30 -0.06 0.00 -2.12 0.00 0.00 56.10 53.55 3hxr s TRP 355 Cb -0.16 -1.17 0.06 0.00 -0.81 0.00 0.00 33.47 31.40 3hxr s TRP 355 CO 0.01 0.63 0.33 0.21 -0.51 0.00 0.00 176.95 177.61 3hxr s LYS 356 N -3.62 0.26 -0.48 4.98 2.20 -0.83 -0.78 119.74 121.47 3hxr s LYS 356 Ca 0.31 0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 56.67 3hxr s LYS 356 Cb -0.05 0.02 0.13 0.00 -1.51 0.00 0.00 37.83 36.42 3hxr s LYS 356 CO 0.18 -0.22 0.27 0.45 -0.36 0.00 0.00 175.35 175.67 3hxr s SER 357 N 1.93 5.19 1.34 1.43 0.15 0.34 -2.60 113.70 121.48 3hxr s SER 357 Ca -0.05 -2.33 0.00 0.00 0.70 0.00 0.00 55.95 54.27 3hxr s SER 357 Cb -0.11 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 3hxr s SER 357 CO -0.10 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.48 3hxr n GLY 358 N 4.18 3.10 0.14 9.45 0.00 -1.26 -2.80 105.19 117.99 3hxr n GLY 358 Ca 0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 3hxr n GLY 358 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hxr h THR 359 N 0.00 1.08 -3.06 2.61 1.35 -1.95 -3.44 112.91 109.50 3hxr h THR 359 Ca 0.00 -0.14 -0.53 0.00 -0.55 0.00 0.00 66.41 65.20 3hxr h THR 359 Cb 0.00 0.64 0.05 0.00 -1.73 0.00 0.00 68.15 67.11 3hxr h THR 359 CO 0.00 0.07 0.85 0.00 -0.25 0.00 0.00 175.52 176.19 3hxr s ALA 360 N -6.17 3.74 0.13 6.62 0.00 -1.12 -4.41 121.76 120.54 3hxr s ALA 360 Ca -0.13 1.40 0.09 0.00 0.00 0.00 0.00 51.96 53.32 3hxr s ALA 360 Cb 0.10 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3hxr s ALA 360 CO 0.71 -0.80 -0.23 -1.54 0.00 0.00 0.00 175.76 173.89 3hxr s SER 361 N 0.81 2.90 -0.08 0.00 1.04 -1.26 -0.50 113.70 116.60 3hxr s SER 361 Ca 0.66 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 56.37 3hxr s SER 361 Cb -0.44 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.51 3hxr s SER 361 CO 0.37 0.09 -0.14 -0.75 0.98 0.00 0.00 173.24 173.80 3hxr s LYS 362 N -2.13 1.98 -0.13 4.02 2.20 0.04 -4.86 119.74 120.87 3hxr s LYS 362 Ca 0.11 -0.49 -0.03 0.00 -0.36 0.00 0.00 55.97 55.19 3hxr s LYS 362 Cb -0.09 -1.65 -0.03 0.00 -1.51 0.00 0.00 37.83 34.55 3hxr s LYS 362 CO 0.06 0.00 -0.00 -1.17 -0.36 0.00 0.00 175.35 173.88 3hxr s LEU 363 N 0.78 3.51 0.04 5.43 2.96 -1.26 -0.10 118.68 130.04 3hxr s LEU 363 Ca -0.12 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3hxr s LEU 363 Cb -0.16 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3hxr s LEU 363 CO 0.02 0.27 -0.04 -1.10 -1.32 0.00 0.00 176.35 174.18 3hxr s GLN 364 N -0.23 0.50 -0.01 1.98 -0.21 -0.47 -3.91 119.66 117.31 3hxr s GLN 364 Ca 0.05 -0.95 0.05 0.00 0.02 0.00 0.00 55.36 54.53 3hxr s GLN 364 Cb -0.12 0.10 -0.01 0.00 1.00 0.00 0.00 33.01 33.97 3hxr s GLN 364 CO 0.02 -0.07 -0.16 0.42 -2.12 0.00 0.00 175.29 173.38 3hxr s ILE 365 N -2.74 1.26 -0.20 1.08 1.01 -0.67 -0.66 121.20 120.29 3hxr s ILE 365 Ca -0.03 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 3hxr s ILE 365 Cb -0.01 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 3hxr s ILE 365 CO -0.05 0.35 -0.07 -0.76 0.00 0.00 0.00 174.94 174.41 3hxr s LEU 366 N -0.40 2.83 0.06 2.97 2.01 0.31 -0.93 118.68 125.52 3hxr s LEU 366 Ca 0.06 -0.39 -0.16 0.00 0.01 0.00 0.00 54.13 53.65 3hxr s LEU 366 Cb -0.06 -1.70 -0.06 0.00 0.01 0.00 0.00 46.19 44.37 3hxr s LEU 366 CO -0.01 0.02 0.50 0.21 1.01 0.00 0.00 176.35 178.08 3hxr s ASN 367 N 1.25 6.91 0.04 2.29 2.47 -0.35 -1.19 114.94 126.35 3hxr s ASN 367 Ca 0.03 1.10 0.02 0.00 0.42 0.00 0.00 52.86 54.43 3hxr s ASN 367 Cb -0.14 -2.30 -0.02 0.00 -1.45 0.00 0.00 41.25 37.33 3hxr s ASN 367 CO -0.03 0.26 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.86 3hxr s VAL 368 N -1.17 0.44 0.21 -5.21 1.01 -1.17 -1.89 120.40 112.62 3hxr s VAL 368 Ca 0.29 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3hxr s VAL 368 Cb -0.17 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 3hxr s VAL 368 CO 0.17 -0.43 0.36 0.20 0.00 0.00 0.00 175.10 175.40 3hxr s ASN 369 N -1.60 6.34 1.30 3.32 0.02 -1.04 0.48 114.94 123.75 3hxr s ASN 369 Ca -0.11 0.20 -0.17 0.00 -1.02 0.00 0.00 52.86 51.76 3hxr s ASN 369 Cb -0.09 -1.92 0.33 0.00 0.02 0.00 0.00 41.25 39.58 3hxr s ASN 369 CO -0.00 -0.04 0.98 -0.62 0.02 0.00 0.00 177.10 177.43 3hxr s ASP 370 N -3.56 -0.08 0.00 -1.22 -1.08 -1.26 -0.28 116.67 109.18 3hxr s ASP 370 Ca 0.36 1.23 0.00 0.00 -0.52 0.00 0.00 52.55 53.61 3hxr s ASP 370 Cb -0.10 -1.85 0.00 0.00 -1.46 0.00 0.00 42.92 39.51 3hxr s ASP 370 CO 0.29 -4.81 0.00 -0.62 0.52 0.00 0.00 175.17 170.55 3hxr n GLU 371 N -5.30 0.00 -4.04 4.34 -0.58 -1.26 -2.60 120.64 111.20 3hxr n GLU 371 Ca 0.07 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.50 3hxr n GLU 371 Cb 0.57 -1.63 -0.01 0.00 -0.57 0.00 0.00 31.44 29.80 3hxr n GLU 371 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3hxr n SER 372 N 0.00 -2.81 0.00 1.62 2.88 0.61 -4.24 113.62 111.69 3hxr n SER 372 Ca 0.00 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 3hxr n SER 372 Cb 0.00 -3.23 0.00 0.00 -0.75 0.00 0.00 64.21 60.23 3hxr n SER 372 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3hxr n PHE 373 N -4.47 0.00 -0.19 0.66 7.35 -0.15 -4.93 117.46 115.74 3hxr n PHE 373 Ca -0.06 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.58 3hxr n PHE 373 Cb 0.56 0.00 0.12 0.00 0.35 0.00 0.00 39.48 40.51 3hxr n PHE 373 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 3hxr h LYS 374 N 0.00 0.97 -1.86 -4.13 5.09 -1.60 -3.46 116.57 111.59 3hxr h LYS 374 Ca 0.00 -0.23 0.21 0.00 0.09 0.00 0.00 60.65 60.72 3hxr h LYS 374 Cb 0.00 -0.13 -0.15 0.00 0.10 0.00 0.00 32.23 32.05 3hxr h LYS 374 CO 0.00 0.88 0.66 -0.80 -2.09 0.00 0.00 179.45 178.10 3hxr s ASN 375 N -6.53 -0.20 0.01 7.07 0.01 -1.26 -5.02 114.94 109.01 3hxr s ASN 375 Ca -0.11 -0.09 0.01 0.00 -0.71 0.00 0.00 52.86 51.97 3hxr s ASN 375 Cb 0.15 0.27 -0.01 0.00 0.41 0.00 0.00 41.25 42.08 3hxr s ASN 375 CO 0.83 -0.47 -0.03 -0.72 -1.51 0.00 0.00 177.10 175.19 3hxr s TYR 376 N -2.77 0.29 0.02 2.20 1.13 -1.26 -2.51 117.35 114.45 3hxr s TYR 376 Ca 0.09 -0.17 0.08 0.00 -1.41 0.00 0.00 57.07 55.67 3hxr s TYR 376 Cb -0.00 -0.19 -0.03 0.00 -1.10 0.00 0.00 41.96 40.65 3hxr s TYR 376 CO -0.05 -0.04 -0.23 -2.00 -2.51 0.00 0.00 175.55 170.72 3hxr s GLU 377 N -0.44 1.99 -0.15 -3.49 2.12 -0.79 -4.99 118.70 112.95 3hxr s GLU 377 Ca -0.03 -1.00 -0.14 0.00 0.36 0.00 0.00 54.97 54.16 3hxr s GLU 377 Cb -0.03 -2.08 -0.05 0.00 0.26 0.00 0.00 34.13 32.23 3hxr s GLU 377 CO -0.00 0.54 0.30 -1.58 -0.54 0.00 0.00 175.26 173.97 3hxr s TRP 378 N -0.78 3.48 -0.12 5.30 0.52 -1.26 -1.22 118.94 124.86 3hxr s TRP 378 Ca 0.12 0.61 -0.00 0.00 0.02 0.00 0.00 56.10 56.85 3hxr s TRP 378 Cb -0.10 -2.33 -0.02 0.00 -1.15 0.00 0.00 33.47 29.87 3hxr s TRP 378 CO 0.02 0.27 -0.10 0.42 0.02 0.00 0.00 176.95 177.57 3hxr s ILE 379 N 0.36 3.33 0.60 2.03 -1.09 -0.11 -4.93 121.20 121.39 3hxr s ILE 379 Ca 0.17 -0.58 0.10 0.00 -2.23 0.00 0.00 60.65 58.11 3hxr s ILE 379 Cb -0.13 -2.40 0.10 0.00 -1.58 0.00 0.00 42.46 38.45 3hxr s ILE 379 CO 0.04 0.53 0.80 -1.61 -1.23 0.00 0.00 174.94 173.48 3hxr s GLU 380 N 0.08 2.23 0.04 2.79 0.41 -1.26 -1.66 118.70 121.32 3hxr s GLU 380 Ca -0.04 -1.73 -0.20 0.00 -0.41 0.00 0.00 54.97 52.59 3hxr s GLU 380 Cb -0.14 -2.60 0.04 0.00 -1.78 0.00 0.00 34.13 29.65 3hxr s GLU 380 CO 0.04 -0.94 0.46 -1.54 -0.49 0.00 0.00 175.26 172.79 3hxr s SER 381 N -4.69 -0.35 -0.17 -0.19 1.04 -1.25 -2.26 113.70 105.82 3hxr s SER 381 Ca 0.61 0.08 -0.29 0.00 0.48 0.00 0.00 55.95 56.83 3hxr s SER 381 Cb -0.05 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 3hxr s SER 381 CO 0.39 -0.69 1.38 -0.69 0.98 0.00 0.00 173.24 174.61 3hxr s VAL 382 N -2.45 4.06 -1.43 5.02 1.01 0.37 -4.85 120.40 122.13 3hxr s VAL 382 Ca -0.05 1.27 0.11 0.00 0.00 0.00 0.00 61.98 63.31 3hxr s VAL 382 Cb -0.01 -3.88 0.42 0.00 0.00 0.00 0.00 36.38 32.91 3hxr s VAL 382 CO -0.02 -0.18 1.28 0.59 0.00 0.00 0.00 175.10 176.77 3hxr n ASN 383 N 7.04 2.89 -3.98 3.32 3.02 -1.26 -3.58 115.26 122.70 3hxr n ASN 383 Ca 0.15 -2.22 -0.12 0.00 -0.03 0.00 0.00 54.58 52.37 3hxr n ASN 383 Cb 0.45 -0.42 -0.12 0.00 -0.61 0.00 0.00 39.78 39.08 3hxr n ASN 383 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hxr s LYS 384 N -1.66 0.34 0.79 3.52 1.02 -1.26 -4.85 119.74 117.65 3hxr s LYS 384 Ca 0.30 -0.49 -0.11 0.00 0.02 0.00 0.00 55.97 55.69 3hxr s LYS 384 Cb 0.19 -0.11 0.07 0.00 -0.52 0.00 0.00 37.83 37.45 3hxr s LYS 384 CO 0.15 0.01 1.12 -1.54 -0.92 0.00 0.00 175.35 174.18 3hxr s SER 385 N -1.05 4.14 0.23 2.83 1.04 -1.26 -4.39 113.70 115.23 3hxr s SER 385 Ca -0.09 1.98 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 3hxr s SER 385 Cb -0.07 -2.54 0.20 0.00 0.10 0.00 0.00 66.02 63.70 3hxr s SER 385 CO -0.00 -2.28 1.79 0.25 0.98 0.00 0.00 173.24 173.98 3hxr h LEU 386 N -1.12 1.07 0.01 2.42 5.85 -1.99 -0.85 115.31 120.70 3hxr h LEU 386 Ca -0.44 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.14 3hxr h LEU 386 Cb 1.25 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3hxr h LEU 386 CO 0.49 0.95 -0.18 0.58 -0.34 0.00 0.00 178.44 179.94 3hxr h VAL 387 N 1.13 0.58 -0.12 1.05 2.07 -1.93 -0.50 116.25 118.52 3hxr h VAL 387 Ca 0.26 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.83 3hxr h VAL 387 Cb 0.21 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3hxr h VAL 387 CO -0.02 0.00 -0.29 0.44 0.02 0.00 0.00 177.57 177.72 3hxr h ASP 388 N -0.29 -0.88 -0.67 0.57 3.32 -1.86 -2.45 116.42 114.15 3hxr h ASP 388 Ca 0.05 0.13 0.13 0.00 0.02 0.00 0.00 57.03 57.36 3hxr h ASP 388 Cb 0.36 0.38 -0.09 0.00 0.22 0.00 0.00 39.33 40.20 3hxr h ASP 388 CO -0.16 -0.33 0.21 -0.07 -1.72 0.00 0.00 179.24 177.16 3hxr h LEU 389 N -0.36 0.13 -1.10 1.55 4.07 -0.85 -2.41 115.31 116.34 3hxr h LEU 389 Ca 0.10 0.11 0.03 0.00 0.08 0.00 0.00 57.88 58.20 3hxr h LEU 389 Cb 0.51 0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.32 3hxr h LEU 389 CO -0.33 0.05 0.61 1.56 -1.08 0.00 0.00 178.44 179.26 3hxr h GLN 390 N 0.34 1.14 -0.23 1.13 4.20 -0.61 -0.32 115.11 120.75 3hxr h GLN 390 Ca 0.36 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.84 3hxr h GLN 390 Cb 0.54 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3hxr h GLN 390 CO -0.40 0.75 -0.50 0.66 -0.67 0.00 0.00 178.83 178.67 3hxr h SER 391 N 1.17 0.71 0.22 1.46 4.64 -1.27 -2.33 113.55 118.17 3hxr h SER 391 Ca 0.37 -0.36 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hxr h SER 391 Cb -0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3hxr h SER 391 CO -0.11 1.09 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.51 3hxr h GLU 392 N 0.51 -0.29 -0.73 4.77 5.08 -1.09 -3.30 114.58 119.53 3hxr h GLU 392 Ca 0.02 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3hxr h GLU 392 Cb 1.05 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 3hxr h GLU 392 CO 0.10 0.09 0.13 0.72 -1.00 0.00 0.00 179.01 179.05 3hxr n HIS 393 N -5.02 1.97 -2.79 4.33 8.25 -0.20 -4.90 115.22 116.86 3hxr n HIS 393 Ca -0.09 -0.86 -0.13 0.00 -0.26 0.00 0.00 57.72 56.39 3hxr n HIS 393 Cb 0.26 -0.55 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 3hxr n HIS 393 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3hxr n ASP 394 N 0.19 -2.99 -0.04 0.41 2.03 -0.90 -4.81 116.55 110.45 3hxr n ASP 394 Ca 0.30 0.06 -0.11 0.00 0.52 0.00 0.00 54.79 55.57 3hxr n ASP 394 Cb 1.16 -2.56 0.03 0.00 -0.72 0.00 0.00 41.12 39.03 3hxr n ASP 394 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3hxr h LEU 395 N -0.29 0.78 -9.63 -2.67 4.07 -1.76 -3.47 115.31 102.33 3hxr h LEU 395 Ca -0.26 -0.38 -0.54 0.00 0.08 0.00 0.00 57.88 56.77 3hxr h LEU 395 Cb 1.18 -0.22 0.06 0.00 1.08 0.00 0.00 40.66 42.77 3hxr h LEU 395 CO 0.32 1.12 0.92 -0.67 -1.08 0.00 0.00 178.44 179.06 3hxr n ASP 396 N -4.01 3.69 -0.01 -0.43 2.03 -1.25 -4.90 116.55 111.67 3hxr n ASP 396 Ca -0.03 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.37 3hxr n ASP 396 Cb 0.57 -1.53 -0.03 0.00 -0.72 0.00 0.00 41.12 39.42 3hxr n ASP 396 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3hxr n ILE 397 N 3.47 0.08 -0.12 5.18 -0.00 -1.26 -4.74 119.36 121.97 3hxr n ILE 397 Ca 0.15 -0.10 -0.07 0.00 -0.00 0.00 0.00 62.75 62.73 3hxr n ILE 397 Cb 0.33 -0.10 0.09 0.00 -0.00 0.00 0.00 39.64 39.97 3hxr n ILE 397 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 3hxr h VAL 398 N 0.00 1.26 -4.17 1.39 2.07 -1.96 -3.46 116.25 111.38 3hxr h VAL 398 Ca -0.03 -1.21 -0.52 0.00 0.82 0.00 0.00 66.70 65.75 3hxr h VAL 398 Cb 0.56 1.03 0.13 0.00 -1.52 0.00 0.00 31.29 31.49 3hxr h VAL 398 CO 0.00 0.42 0.40 -0.89 0.02 0.00 0.00 177.57 177.51 3hxr s THR 399 N -4.80 2.67 0.00 2.57 2.01 -1.26 -5.00 115.64 111.84 3hxr s THR 399 Ca -0.10 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.24 3hxr s THR 399 Cb 0.14 -2.91 0.00 0.00 0.01 0.00 0.00 72.50 69.73 3hxr s THR 399 CO 0.83 -0.17 0.00 0.29 -0.69 0.00 0.00 174.62 174.88 3hxr n LYS 400 N -2.44 3.90 -0.33 4.92 5.02 -1.26 -5.16 118.16 122.81 3hxr n LYS 400 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3hxr n LYS 400 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 3hxr n LYS 400 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hxr n ASP 403 N 0.00 0.00 -0.17 4.39 -0.08 -1.26 -4.93 116.55 114.50 3hxr n ASP 403 Ca 0.00 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.29 3hxr n ASP 403 Cb 0.00 -0.50 0.27 0.00 2.34 0.00 0.00 41.12 43.23 3hxr n ASP 403 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 3hxr h VAL 404 N 0.12 1.18 -0.51 5.18 -1.51 -1.98 -0.86 116.25 117.88 3hxr h VAL 404 Ca 0.00 -0.38 0.02 0.00 -1.23 0.00 0.00 66.70 65.11 3hxr h VAL 404 Cb 0.00 0.22 -0.03 0.00 -2.13 0.00 0.00 31.29 29.35 3hxr h VAL 404 CO 0.00 0.19 0.32 -0.08 -1.23 0.00 0.00 177.57 176.76 3hxr h GLU 405 N 0.92 0.62 -0.37 5.19 4.22 -1.99 0.18 114.58 123.34 3hxr h GLU 405 Ca 0.24 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.60 3hxr h GLU 405 Cb -0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3hxr h GLU 405 CO -0.05 0.41 0.05 -0.09 -2.18 0.00 0.00 179.01 177.15 3hxr h ARG 406 N 0.64 0.63 -0.61 1.92 2.43 -1.65 -2.23 114.38 115.51 3hxr h ARG 406 Ca 0.20 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3hxr h ARG 406 Cb -0.02 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3hxr h ARG 406 CO -0.07 0.69 0.35 0.78 -1.51 0.00 0.00 179.97 180.21 3hxr h GLY 407 N 0.46 0.88 0.90 2.80 0.00 -0.72 -0.80 103.07 106.61 3hxr h GLY 407 Ca 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3hxr h GLY 407 CO 0.01 0.36 -0.09 -2.75 0.00 0.00 0.00 176.54 174.07 3hxr h PHE 408 N 0.84 -0.23 -0.60 5.60 3.04 -0.38 -2.13 116.94 123.08 3hxr h PHE 408 Ca 0.22 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.17 3hxr h PHE 408 Cb -0.00 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 3hxr h PHE 408 CO 0.00 -0.06 0.40 0.00 -2.02 0.00 0.00 178.31 176.63 3hxr h ASN 410 N 0.80 0.47 -0.49 0.00 4.21 -0.70 -1.77 115.58 118.10 3hxr h ASN 410 Ca 0.22 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.66 3hxr h ASN 410 Cb -0.09 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 36.98 3hxr h ASN 410 CO -0.05 0.34 0.07 -0.07 -1.29 0.00 0.00 177.43 176.43 3hxr h LEU 411 N 0.56 0.83 -0.88 1.61 3.38 -0.91 -0.59 115.31 119.32 3hxr h LEU 411 Ca 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3hxr h LEU 411 Cb -0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3hxr h LEU 411 CO -0.05 0.86 0.48 0.50 0.09 0.00 0.00 178.44 180.31 3hxr h LYS 412 N 0.83 1.23 -0.43 1.13 3.64 -0.97 -2.41 116.57 119.58 3hxr h LYS 412 Ca 0.17 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3hxr h LYS 412 Cb 0.40 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3hxr h LYS 412 CO 0.01 0.90 -0.22 1.03 -2.27 0.00 0.00 179.45 178.90 3hxr h SER 413 N 1.23 0.90 1.20 4.20 0.87 -0.63 -3.20 113.55 118.12 3hxr h SER 413 Ca 0.31 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3hxr h SER 413 Cb 0.04 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 3hxr h SER 413 CO -0.05 1.08 0.00 -0.09 -0.53 0.00 0.00 176.83 177.24 3hxr h ARG 414 N 0.76 0.00 -6.15 2.24 2.43 -0.75 -3.43 114.38 109.48 3hxr h ARG 414 Ca 0.10 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.70 3hxr h ARG 414 Cb 0.77 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.08 3hxr h ARG 414 CO 0.06 0.00 -0.83 0.71 -1.51 0.00 0.00 179.97 178.40 3hxr s TYR 415 N -3.34 1.81 0.74 2.20 1.51 -0.94 -5.09 117.35 114.23 3hxr s TYR 415 Ca 0.05 -0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 3hxr s TYR 415 Cb 0.09 -1.02 0.04 0.00 -0.11 0.00 0.00 41.96 40.96 3hxr s TYR 415 CO 0.53 0.17 1.22 0.41 -1.11 0.00 0.00 175.55 176.77 3hxr n GLY 416 N 1.36 0.17 0.29 0.71 0.00 -1.26 -4.72 105.19 101.73 3hxr n GLY 416 Ca -0.19 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.61 3hxr n GLY 416 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hxr h THR 417 N -0.31 0.78 0.32 2.61 1.35 -1.79 -0.79 112.91 115.08 3hxr h THR 417 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3hxr h THR 417 Cb 1.32 0.97 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 3hxr h THR 417 CO 0.49 0.00 -0.44 -0.61 -0.25 0.00 0.00 175.52 174.70 3hxr h GLN 418 N 0.00 -0.78 -0.40 4.72 4.15 -1.89 0.40 115.11 121.31 3hxr h GLN 418 Ca 0.02 0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.52 3hxr h GLN 418 Cb 0.10 0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 3hxr h GLN 418 CO -0.00 -0.52 0.23 0.82 -1.93 0.00 0.00 178.83 177.43 3hxr h ILE 419 N -0.81 1.03 -0.84 2.39 2.04 -1.76 -1.72 117.51 117.84 3hxr h ILE 419 Ca -0.02 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3hxr h ILE 419 Cb 0.75 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3hxr h ILE 419 CO -0.14 0.09 0.38 0.15 0.00 0.00 0.00 178.15 178.63 3hxr h PHE 420 N 0.47 1.23 -0.48 1.37 3.04 -0.88 0.41 116.94 122.10 3hxr h PHE 420 Ca 0.16 -0.07 -0.10 0.00 3.98 0.00 0.00 57.97 61.94 3hxr h PHE 420 Cb 0.02 -0.38 -0.02 0.00 2.56 0.00 0.00 35.95 38.14 3hxr h PHE 420 CO -0.08 0.90 -0.10 0.93 -2.02 0.00 0.00 178.31 177.94 3hxr h GLU 421 N 1.20 0.87 -0.58 1.11 5.08 -0.07 -1.11 114.58 121.07 3hxr h GLU 421 Ca 0.28 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3hxr h GLU 421 Cb 0.16 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3hxr h GLU 421 CO -0.03 0.93 0.02 -0.09 -1.00 0.00 0.00 179.01 178.84 3hxr h ARG 422 N 0.78 0.99 -0.23 2.33 9.65 -0.62 -1.63 114.38 125.65 3hxr h ARG 422 Ca 0.13 -0.29 -0.15 0.00 -1.10 0.00 0.00 59.98 58.57 3hxr h ARG 422 Cb 0.62 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 3hxr h ARG 422 CO 0.04 0.96 -0.48 0.00 2.80 0.00 0.00 179.97 183.29 3hxr h ALA 423 N 1.10 0.73 -0.09 2.80 0.00 -0.75 -2.59 119.26 120.46 3hxr h ALA 423 Ca 0.17 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3hxr h ALA 423 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hxr h ALA 423 CO 0.02 0.67 -0.03 1.96 0.00 0.00 0.00 179.25 181.88 3hxr h GLN 424 N 0.48 -0.01 0.30 0.00 1.08 -0.92 -1.87 115.11 114.16 3hxr h GLN 424 Ca 0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3hxr h GLN 424 Cb 1.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 3hxr h GLN 424 CO 0.09 -0.00 -0.16 0.37 -0.95 0.00 0.00 178.83 178.19 3hxr h GLN 425 N -0.01 -0.40 -0.83 1.46 5.75 -1.24 -2.14 115.11 117.70 3hxr h GLN 425 Ca 0.05 0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.67 3hxr h GLN 425 Cb 0.08 0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.64 3hxr h GLN 425 CO -0.10 -0.27 0.48 0.82 -2.65 0.00 0.00 178.83 177.11 3hxr h ILE 426 N -0.42 0.90 0.00 2.39 2.04 -1.42 0.58 117.51 121.59 3hxr h ILE 426 Ca -0.04 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 3hxr h ILE 426 Cb 0.33 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3hxr h ILE 426 CO 0.05 0.14 -0.13 -0.07 0.00 0.00 0.00 178.15 178.15 3hxr h LEU 427 N 0.79 0.00 0.00 1.44 3.38 -1.15 -1.89 115.31 117.88 3hxr h LEU 427 Ca 0.40 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.33 3hxr h LEU 427 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3hxr h LEU 427 CO -0.25 0.13 -1.03 0.77 0.09 0.00 0.00 178.44 178.15 3hxr h SER 428 N 0.00 0.00 0.99 -0.43 4.64 -0.16 0.17 113.55 118.76 3hxr h SER 428 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3hxr h SER 428 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3hxr h SER 428 CO 0.02 0.16 -0.11 -0.33 -0.87 0.00 0.00 176.83 175.70 3hxr h GLU 429 N 0.00 0.00 -0.45 4.77 5.08 0.56 -3.06 114.58 121.49 3hxr h GLU 429 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hxr h GLU 429 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3hxr h GLU 429 CO 0.01 0.11 0.00 0.09 -1.00 0.00 0.00 179.01 178.22 3hxr n ASN 430 N -3.25 3.64 -3.52 1.42 4.13 -0.76 -4.98 115.26 111.94 3hxr n ASN 430 Ca 0.00 -2.28 -0.20 0.00 1.68 0.00 0.00 54.58 53.78 3hxr n ASN 430 Cb 0.37 -0.40 0.08 0.00 -1.54 0.00 0.00 39.78 38.30 3hxr n ASN 430 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3hxr n LYS 431 N 0.61 -7.26 -3.62 3.52 5.02 -1.13 -4.97 118.16 110.32 3hxr n LYS 431 Ca 0.18 0.84 -0.39 0.00 -2.02 0.00 0.00 58.31 56.91 3hxr n LYS 431 Cb 0.64 -5.87 -0.09 0.00 -0.02 0.00 0.00 35.03 29.69 3hxr n LYS 431 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hxr s ILE 432 N -3.34 3.99 0.00 -0.18 1.01 0.03 -5.03 121.20 117.68 3hxr s ILE 432 Ca 0.28 -2.09 0.00 0.00 0.00 0.00 0.00 60.65 58.84 3hxr s ILE 432 Cb -0.13 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.71 3hxr s ILE 432 CO 0.73 -0.79 0.00 -0.38 0.00 0.00 0.00 174.94 174.50 3hxr n ILE 433 N 4.53 0.00 -2.23 2.92 5.41 -1.26 -4.60 119.36 124.13 3hxr n ILE 433 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.68 3hxr n ILE 433 Cb 0.41 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.33 3hxr n ILE 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hxr n ALA 435 N -3.00 3.42 -0.86 -1.39 0.00 -1.26 -4.87 120.51 112.55 3hxr n ALA 435 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3hxr n ALA 435 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3hxr n ALA 435 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3hxr n HIS 436 N -0.40 0.00 -1.61 0.00 -0.00 -1.26 -4.65 115.22 107.30 3hxr n HIS 436 Ca -0.22 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.61 3hxr n HIS 436 Cb 0.78 0.02 0.07 0.00 -0.12 0.00 0.00 29.99 30.74 3hxr n HIS 436 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3hxr s ASN 437 N -4.00 4.53 -1.43 0.26 3.84 -1.26 -2.00 114.94 114.89 3hxr s ASN 437 Ca 0.00 2.34 -0.04 0.00 0.21 0.00 0.00 52.86 55.36 3hxr s ASN 437 Cb 0.00 -2.59 0.02 0.00 -0.55 0.00 0.00 41.25 38.13 3hxr s ASN 437 CO 0.00 -2.03 0.38 -0.62 -2.79 0.00 0.00 177.10 172.03 3hxr n GLU 438 N -2.40 -3.55 -0.81 0.43 1.02 -1.26 -4.71 120.64 109.36 3hxr n GLU 438 Ca 0.13 0.75 0.01 0.00 -0.02 0.00 0.00 57.16 58.04 3hxr n GLU 438 Cb 0.50 -5.50 0.18 0.00 -0.02 0.00 0.00 31.44 26.60 3hxr n GLU 438 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3hxr n ASP 439 N -2.26 2.20 0.15 1.62 4.64 -0.84 -4.69 116.55 117.37 3hxr n ASP 439 Ca -0.11 -3.89 0.07 0.00 -1.38 0.00 0.00 54.79 49.48 3hxr n ASP 439 Cb 0.61 -0.50 0.57 0.00 -1.04 0.00 0.00 41.12 40.75 3hxr n ASP 439 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 3hxr h GLU 440 N 1.18 0.19 -1.08 -0.67 5.08 -1.84 0.72 114.58 118.16 3hxr h GLU 440 Ca 0.06 -0.01 0.36 0.00 -1.00 0.00 0.00 59.36 58.77 3hxr h GLU 440 Cb 1.08 -0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.14 3hxr h GLU 440 CO 0.12 0.12 0.64 0.93 -1.00 0.00 0.00 179.01 179.82 3hxr h GLU 441 N 0.19 0.21 0.00 2.33 4.39 -1.96 0.62 114.58 120.36 3hxr h GLU 441 Ca 0.07 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3hxr h GLU 441 Cb 0.04 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3hxr h GLU 441 CO -0.01 0.14 -0.00 -0.92 -1.16 0.00 0.00 179.01 177.06 3hxr h TYR 442 N 0.22 -0.00 -0.09 4.33 5.03 0.13 -3.20 116.97 123.39 3hxr h TYR 442 Ca 0.76 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 62.05 3hxr h TYR 442 Cb 1.97 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 40.24 3hxr h TYR 442 CO -0.01 0.10 -0.02 1.37 -1.32 0.00 0.00 178.16 178.28 3hxr h LEU 443 N -0.10 0.17 -1.43 2.82 8.10 0.20 -1.34 115.31 123.73 3hxr h LEU 443 Ca -0.00 -0.37 0.46 0.00 0.11 0.00 0.00 57.88 58.08 3hxr h LEU 443 Cb 0.10 -0.05 -0.11 0.00 -0.44 0.00 0.00 40.66 40.17 3hxr h LEU 443 CO 0.00 0.50 0.96 0.00 -4.11 0.00 0.00 178.44 175.79 3hxr n ALA 444 N -2.32 1.40 0.23 0.17 0.00 -0.51 0.63 120.51 120.10 3hxr n ALA 444 Ca -0.07 0.72 0.13 0.00 0.00 0.00 0.00 53.44 54.22 3hxr n ALA 444 Cb 0.23 -0.98 0.27 0.00 0.00 0.00 0.00 19.45 18.97 3hxr n ALA 444 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3hxr h ASN 445 N 0.00 0.00 0.15 0.00 -1.24 -1.24 -3.29 115.58 109.96 3hxr h ASN 445 Ca 0.82 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 57.47 3hxr h ASN 445 Cb 2.85 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 41.90 3hxr h ASN 445 CO -0.29 0.03 -1.91 0.25 -1.29 0.00 0.00 177.43 174.22 3hxr h LEU 446 N 0.00 0.49 -0.75 0.34 5.85 1.92 -3.19 115.31 119.97 3hxr h LEU 446 Ca -0.00 -0.95 0.17 0.00 0.84 0.00 0.00 57.88 57.95 3hxr h LEU 446 Cb 0.92 -0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.67 3hxr h LEU 446 CO 0.00 1.83 0.13 -0.33 -0.34 0.00 0.00 178.44 179.73 3hxr h GLU 447 N 0.09 0.20 -0.16 1.25 5.08 -1.09 0.95 114.58 120.90 3hxr h GLU 447 Ca -0.39 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 57.77 3hxr h GLU 447 Cb 2.06 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.26 3hxr h GLU 447 CO 0.12 0.13 -0.64 0.00 -1.00 0.00 0.00 179.01 177.62 3hxr h THR 448 N 0.20 1.33 -0.37 1.13 1.03 -1.69 -2.54 112.91 112.00 3hxr h THR 448 Ca 0.43 -1.92 -0.08 0.00 -0.01 0.00 0.00 66.41 64.82 3hxr h THR 448 Cb 0.76 1.89 -0.02 0.00 -1.07 0.00 0.00 68.15 69.72 3hxr h THR 448 CO -0.57 0.59 -0.11 0.40 -0.01 0.00 0.00 175.52 175.82 3hxr h ILE 449 N 0.42 1.25 0.31 0.00 1.08 -1.26 -2.02 117.51 117.29 3hxr h ILE 449 Ca -0.01 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 3hxr h ILE 449 Cb 1.21 1.08 -0.03 0.00 -3.07 0.00 0.00 36.82 36.02 3hxr h ILE 449 CO 0.12 0.37 -0.35 -0.07 -0.69 0.00 0.00 178.15 177.54 3hxr h LEU 450 N 0.60 -0.95 -0.22 1.44 3.38 -0.68 0.37 115.31 119.25 3hxr h LEU 450 Ca 0.11 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3hxr h LEU 450 Cb 0.54 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 3hxr h LEU 450 CO 0.03 -0.48 -0.55 0.03 0.09 0.00 0.00 178.44 177.57 3hxr h ARG 451 N -0.69 -0.51 -0.87 1.13 3.08 -1.25 0.34 114.38 115.61 3hxr h ARG 451 Ca -0.01 0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.21 3hxr h ARG 451 Cb 0.64 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.71 3hxr h ARG 451 CO -0.09 -0.34 0.47 -0.44 -1.07 0.00 0.00 179.97 178.51 3hxr h ASP 452 N -0.53 0.61 -0.67 7.04 3.32 -1.28 -0.07 116.42 124.84 3hxr h ASP 452 Ca 0.04 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3hxr h ASP 452 Cb 0.66 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3hxr h ASP 452 CO -0.49 0.27 0.29 0.58 -1.72 0.00 0.00 179.24 178.17 3hxr h VAL 453 N 0.69 1.23 -0.12 -1.35 2.07 0.24 -2.40 116.25 116.62 3hxr h VAL 453 Ca 0.47 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3hxr h VAL 453 Cb 0.62 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3hxr h VAL 453 CO -0.34 0.28 -0.18 0.50 0.02 0.00 0.00 177.57 177.85 3hxr h LYS 454 N 0.93 0.33 -0.61 1.57 3.64 0.38 -0.45 116.57 122.37 3hxr h LYS 454 Ca 0.23 -0.20 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 3hxr h LYS 454 Cb 0.17 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3hxr h LYS 454 CO -0.02 0.78 0.41 1.79 -2.27 0.00 0.00 179.45 180.13 3hxr h THR 455 N -0.08 0.92 -0.08 1.00 1.35 -1.06 0.34 112.91 115.30 3hxr h THR 455 Ca 0.01 -0.16 -0.07 0.00 -0.55 0.00 0.00 66.41 65.64 3hxr h THR 455 Cb 0.74 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3hxr h THR 455 CO 0.04 0.08 -0.24 0.00 -0.25 0.00 0.00 175.52 175.15 3hxr h ALA 456 N 1.69 0.13 -0.68 6.62 0.00 -1.32 -2.79 119.26 122.92 3hxr h ALA 456 Ca 0.28 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.85 3hxr h ALA 456 Cb 0.49 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3hxr h ALA 456 CO -0.08 0.12 0.45 0.74 0.00 0.00 0.00 179.25 180.48 3hxr h PHE 457 N -0.19 0.68 -0.09 0.00 -1.00 0.01 -2.71 116.94 113.65 3hxr h PHE 457 Ca -0.01 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3hxr h PHE 457 Cb 0.87 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.20 3hxr h PHE 457 CO 0.12 0.36 0.00 0.09 -1.61 0.00 0.00 178.31 177.27 3hxr n ASN 458 N -4.48 1.42 -4.68 2.17 4.13 0.11 -3.01 115.26 110.92 3hxr n ASN 458 Ca 0.10 -1.57 -0.46 0.00 1.68 0.00 0.00 54.58 54.33 3hxr n ASN 458 Cb 0.25 -0.05 -0.04 0.00 -1.54 0.00 0.00 39.78 38.39 3hxr n ASN 458 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3hxr n GLU 459 N 0.13 2.29 -2.08 3.52 2.13 -1.02 -4.77 120.64 120.84 3hxr n GLU 459 Ca 0.18 0.83 -0.31 0.00 0.66 0.00 0.00 57.16 58.51 3hxr n GLU 459 Cb 0.31 -2.64 -0.01 0.00 0.27 0.00 0.00 31.44 29.38 3hxr n GLU 459 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hxr s ALA 460 N 1.85 3.10 0.00 4.31 0.00 -1.26 -1.24 121.76 128.52 3hxr s ALA 460 Ca 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3hxr s ALA 460 Cb -0.64 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3hxr s ALA 460 CO 0.40 -0.52 0.00 -1.13 0.00 0.00 0.00 175.76 174.52 3hxr n SER 461 N -2.31 0.00 -3.56 0.00 3.41 -0.76 -4.84 113.62 105.57 3hxr n SER 461 Ca 0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.60 3hxr n SER 461 Cb 0.54 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 3hxr n SER 461 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hxr s SER 462 N -0.20 -0.26 -0.08 4.04 0.15 -1.22 -4.75 113.70 111.38 3hxr s SER 462 Ca 0.00 0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.76 3hxr s SER 462 Cb 0.00 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.56 3hxr s SER 462 CO 0.00 -0.40 -0.20 -0.51 1.20 0.00 0.00 173.24 173.33 3hxr s ILE 463 N -2.42 2.47 0.03 6.45 -1.16 -1.26 -0.67 121.20 124.64 3hxr s ILE 463 Ca 0.06 -0.90 0.06 0.00 -0.51 0.00 0.00 60.65 59.35 3hxr s ILE 463 Cb -0.01 -1.95 -0.03 0.00 0.61 0.00 0.00 42.46 41.07 3hxr s ILE 463 CO -0.06 0.56 -0.15 -0.89 -2.81 0.00 0.00 174.94 171.60 3hxr s THR 464 N -0.03 3.03 -0.37 4.00 2.01 0.50 -4.95 115.64 119.84 3hxr s THR 464 Ca -0.06 -1.07 -0.11 0.00 0.31 0.00 0.00 61.69 60.76 3hxr s THR 464 Cb -0.15 -2.29 0.02 0.00 0.01 0.00 0.00 72.50 70.09 3hxr s THR 464 CO 0.05 0.36 0.21 -0.22 -0.69 0.00 0.00 174.62 174.33 3hxr s LEU 465 N -1.42 4.66 -1.31 4.42 2.96 -1.26 0.64 118.68 127.37 3hxr s LEU 465 Ca 0.15 -0.86 -0.16 0.00 -0.22 0.00 0.00 54.13 53.05 3hxr s LEU 465 Cb -0.11 -2.05 0.10 0.00 0.50 0.00 0.00 46.19 44.63 3hxr s LEU 465 CO 0.06 -0.35 1.77 0.00 -1.32 0.00 0.00 176.35 176.51 3hxr n TYR 466 N 5.03 4.39 -0.97 5.38 9.36 -0.73 -4.89 117.16 134.73 3hxr n TYR 466 Ca -0.12 -2.98 -0.34 0.00 3.32 0.00 0.00 57.90 57.78 3hxr n TYR 466 Cb 0.47 -2.46 0.10 0.00 -0.63 0.00 0.00 39.34 36.82 3hxr n TYR 466 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hxr n GLY 467 N 4.64 -1.78 0.10 2.98 0.00 -1.26 -2.69 105.19 107.19 3hxr n GLY 467 Ca 0.46 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3hxr n GLY 467 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hxr h ASP 468 N -1.13 -0.14 0.00 1.61 3.32 -1.82 -3.44 116.42 114.82 3hxr h ASP 468 Ca -0.44 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3hxr h ASP 468 Cb 1.30 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.89 3hxr h ASP 468 CO 0.37 -0.01 0.00 -1.84 -1.72 0.00 0.00 179.24 176.04 3hxr n GLU 469 N -5.12 0.53 -1.96 3.56 0.28 -1.25 -5.05 120.64 111.62 3hxr n GLU 469 Ca -0.08 -0.32 -0.39 0.00 -0.16 0.00 0.00 57.16 56.20 3hxr n GLU 469 Cb 0.13 -0.80 0.01 0.00 1.43 0.00 0.00 31.44 32.20 3hxr n GLU 469 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3hxr s ILE 470 N -0.17 2.43 -0.37 3.84 -1.09 -1.09 -4.88 121.20 119.88 3hxr s ILE 470 Ca 0.00 0.38 -0.13 0.00 -2.23 0.00 0.00 60.65 58.66 3hxr s ILE 470 Cb 0.00 -3.22 -0.00 0.00 -1.58 0.00 0.00 42.46 37.66 3hxr s ILE 470 CO 0.00 0.04 0.26 -0.63 -1.23 0.00 0.00 174.94 173.38 3hxr s ILE 471 N -1.27 5.22 -0.19 2.92 1.01 -1.26 -1.77 121.20 125.87 3hxr s ILE 471 Ca 0.60 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 3hxr s ILE 471 Cb -0.39 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 3hxr s ILE 471 CO 0.50 -0.12 -0.06 -0.22 0.00 0.00 0.00 174.94 175.03 3hxr s LEU 472 N 1.70 2.91 -0.21 2.97 1.98 0.21 -2.19 118.68 126.05 3hxr s LEU 472 Ca 0.05 -0.33 -0.06 0.00 -2.89 0.00 0.00 54.13 50.91 3hxr s LEU 472 Cb -0.18 -1.71 -0.02 0.00 0.66 0.00 0.00 46.19 44.93 3hxr s LEU 472 CO 0.10 0.06 0.02 -0.69 -1.89 0.00 0.00 176.35 173.95 3hxr s VAL 473 N 1.01 4.04 -0.11 1.68 1.01 0.81 0.19 120.40 129.03 3hxr s VAL 473 Ca 0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 3hxr s VAL 473 Cb -0.15 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3hxr s VAL 473 CO -0.00 0.41 0.40 0.20 0.00 0.00 0.00 175.10 176.11 3hxr s ASN 474 N 1.15 6.63 0.51 3.32 0.01 0.16 -0.53 114.94 126.18 3hxr s ASN 474 Ca 0.03 0.74 0.09 0.00 -0.71 0.00 0.00 52.86 53.01 3hxr s ASN 474 Cb -0.14 -2.24 0.05 0.00 0.41 0.00 0.00 41.25 39.32 3hxr s ASN 474 CO 0.02 0.10 0.66 0.00 -1.51 0.00 0.00 177.10 176.37 3hxr h PHE 476 N 0.44 -0.35 -2.85 0.00 0.05 -1.14 -3.43 116.94 109.66 3hxr h PHE 476 Ca -0.35 -0.01 -0.53 0.00 3.82 0.00 0.00 57.97 60.91 3hxr h PHE 476 Cb 1.28 0.11 0.03 0.00 2.00 0.00 0.00 35.95 39.38 3hxr h PHE 476 CO 0.46 0.01 0.86 -0.65 -0.18 0.00 0.00 178.31 178.81 3hxr s GLN 477 N -4.30 4.24 0.48 1.51 -1.52 -1.16 -4.46 119.66 114.44 3hxr s GLN 477 Ca -0.14 2.28 -0.23 0.00 -1.95 0.00 0.00 55.36 55.32 3hxr s GLN 477 Cb 0.02 -3.26 -0.08 0.00 -0.22 0.00 0.00 33.01 29.46 3hxr s GLN 477 CO 0.52 -0.59 1.10 -2.30 -0.25 0.00 0.00 175.29 173.77 3hxr n PRO 478 N 4.27 1.41 -0.97 2.91 -0.02 -1.26 -2.05 135.00 139.28 3hxr n PRO 478 Ca 0.14 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3hxr n PRO 478 Cb 0.40 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3hxr n PRO 478 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hxr n TYR 479 N -0.81 0.00 -3.93 6.00 4.02 -1.26 -4.96 117.16 116.22 3hxr n TYR 479 Ca 0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.64 3hxr n TYR 479 Cb 0.42 -0.46 -0.14 0.00 -0.02 0.00 0.00 39.34 39.14 3hxr n TYR 479 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3hxr s ASN 480 N -2.17 4.61 0.16 7.72 0.01 -0.87 -0.29 114.94 124.11 3hxr s ASN 480 Ca 0.00 -1.07 0.04 0.00 -0.71 0.00 0.00 52.86 51.13 3hxr s ASN 480 Cb 0.00 -1.69 -0.05 0.00 0.41 0.00 0.00 41.25 39.93 3hxr s ASN 480 CO 0.00 -0.19 -0.09 -1.00 -1.51 0.00 0.00 177.10 174.31 3hxr s HIS 481 N 1.29 1.32 -0.08 2.20 3.76 -0.68 -1.90 115.29 121.20 3hxr s HIS 481 Ca -0.03 -0.77 -0.01 0.00 -0.15 0.00 0.00 55.06 54.10 3hxr s HIS 481 Cb -0.18 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 32.85 3hxr s HIS 481 CO -0.03 0.08 -0.03 -1.12 -0.85 0.00 0.00 174.74 172.79 3hxr s SER 482 N -3.19 1.73 -0.19 1.40 0.01 0.31 -0.81 113.70 112.95 3hxr s SER 482 Ca 0.18 -0.17 -0.10 0.00 1.31 0.00 0.00 55.95 57.18 3hxr s SER 482 Cb 0.03 -0.58 -0.05 0.00 0.21 0.00 0.00 66.02 65.63 3hxr s SER 482 CO 0.02 -0.15 0.13 -0.22 0.41 0.00 0.00 173.24 173.43 3hxr s LEU 483 N 1.76 4.20 -0.34 2.44 2.96 -0.21 -0.13 118.68 129.36 3hxr s LEU 483 Ca 0.03 0.24 -0.14 0.00 -0.22 0.00 0.00 54.13 54.04 3hxr s LEU 483 Cb -0.13 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 3hxr s LEU 483 CO -0.06 0.19 0.30 -0.31 -1.32 0.00 0.00 176.35 175.16 3hxr s TYR 484 N 0.29 3.22 0.00 5.38 2.02 -0.93 0.21 117.35 127.54 3hxr s TYR 484 Ca 0.08 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 3hxr s TYR 484 Cb -0.11 -2.58 -0.04 0.00 -0.40 0.00 0.00 41.96 38.83 3hxr s TYR 484 CO -0.02 -0.40 0.15 0.21 -1.57 0.00 0.00 175.55 173.92 3hxr s LYS 485 N 1.87 3.29 0.16 -0.62 2.20 0.42 -4.27 119.74 122.80 3hxr s LYS 485 Ca 0.09 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 3hxr s LYS 485 Cb -0.17 -3.00 -0.08 0.00 -1.51 0.00 0.00 37.83 33.07 3hxr s LYS 485 CO 0.11 0.66 1.31 -1.17 -0.36 0.00 0.00 175.35 175.90 3hxr s LEU 486 N -1.93 4.40 0.18 5.43 2.96 -1.26 -0.17 118.68 128.29 3hxr s LEU 486 Ca 0.26 2.34 -0.30 0.00 -0.22 0.00 0.00 54.13 56.21 3hxr s LEU 486 Cb -0.12 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 3hxr s LEU 486 CO 0.18 -0.55 1.04 0.20 -1.32 0.00 0.00 176.35 175.90 3hxr s ASN 487 N 0.59 7.39 0.95 3.68 -0.87 -0.05 -4.83 114.94 121.80 3hxr s ASN 487 Ca 0.59 2.01 -0.13 0.00 -1.57 0.00 0.00 52.86 53.76 3hxr s ASN 487 Cb -0.36 -2.60 0.16 0.00 -0.02 0.00 0.00 41.25 38.43 3hxr s ASN 487 CO 0.35 -0.11 1.13 0.42 -2.57 0.00 0.00 177.10 176.32 3hxr s THR 488 N -0.43 1.99 0.21 1.60 -4.23 -1.26 -4.82 115.64 108.69 3hxr s THR 488 Ca 0.47 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.89 3hxr s THR 488 Cb -0.28 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 71.03 3hxr s THR 488 CO 0.34 0.00 1.78 0.74 -0.54 0.00 0.00 174.62 176.94 3hxr h THR 489 N -1.64 0.87 0.00 3.99 2.02 -1.99 -1.52 112.91 114.64 3hxr h THR 489 Ca -0.51 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 3hxr h THR 489 Cb 1.33 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3hxr h THR 489 CO 0.59 0.10 -0.15 0.58 0.37 0.00 0.00 175.52 177.02 3hxr h VAL 490 N 0.56 0.71 0.06 3.16 2.07 -1.93 -2.48 116.25 118.41 3hxr h VAL 490 Ca 0.31 -0.60 -0.24 0.00 0.82 0.00 0.00 66.70 66.99 3hxr h VAL 490 Cb 0.30 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3hxr h VAL 490 CO -0.24 0.14 -1.09 -0.33 0.02 0.00 0.00 177.57 176.07 3hxr h GLU 491 N 0.00 0.20 -0.44 1.57 5.08 -1.64 -2.67 114.58 116.68 3hxr h GLU 491 Ca -0.00 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 3hxr h GLU 491 Cb 0.36 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3hxr h GLU 491 CO 0.02 1.11 0.02 -0.91 -1.00 0.00 0.00 179.01 178.24 3hxr h ASN 492 N 0.08 0.74 -0.47 1.42 2.35 -1.06 -0.60 115.58 118.03 3hxr h ASN 492 Ca -0.08 -0.30 0.05 0.00 -0.55 0.00 0.00 56.30 55.42 3hxr h ASN 492 Cb 1.80 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.92 3hxr h ASN 492 CO 0.17 0.86 0.22 -0.50 -1.65 0.00 0.00 177.43 176.53 3hxr h TRP 493 N 0.60 0.40 -0.16 1.19 6.55 -1.47 0.23 115.95 123.29 3hxr h TRP 493 Ca 0.13 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.97 3hxr h TRP 493 Cb 0.47 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.65 3hxr h TRP 493 CO 0.04 0.18 0.03 0.35 -1.05 0.00 0.00 178.44 177.99 3hxr h PHE 494 N 0.43 0.27 -0.24 0.49 3.57 -1.32 -3.25 116.94 116.89 3hxr h PHE 494 Ca 0.21 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 3hxr h PHE 494 Cb 0.15 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3hxr h PHE 494 CO -0.12 0.42 -0.29 1.88 -2.23 0.00 0.00 178.31 177.97 3hxr h TYR 495 N 0.05 0.55 -3.67 0.41 0.05 -0.82 -3.48 116.97 110.06 3hxr h TYR 495 Ca 0.05 -0.13 -0.58 0.00 0.05 0.00 0.00 58.73 58.12 3hxr h TYR 495 Cb 0.29 -0.13 -0.32 0.00 1.01 0.00 0.00 36.73 37.58 3hxr h TYR 495 CO 0.02 0.73 -0.84 -0.80 -1.05 0.00 0.00 178.16 176.21 3hxr s ASN 496 N -6.82 2.31 0.00 3.88 0.01 0.79 -4.96 114.94 110.14 3hxr s ASN 496 Ca -0.07 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.69 3hxr s ASN 496 Cb 0.13 -0.84 0.00 0.00 0.41 0.00 0.00 41.25 40.96 3hxr s ASN 496 CO 0.80 0.13 0.00 1.41 -1.51 0.00 0.00 177.10 177.93 3hxr n HIS 498 N 3.38 0.00 -2.00 2.20 8.25 -1.26 -4.78 115.22 121.00 3hxr n HIS 498 Ca -0.19 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.87 3hxr n HIS 498 Cb 0.53 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.63 3hxr n HIS 498 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3hxr s SER 499 N 0.00 6.31 0.32 0.41 1.04 -1.26 -5.25 113.70 115.26 3hxr s SER 499 Ca 0.00 2.73 -0.29 0.00 0.48 0.00 0.00 55.95 58.87 3hxr s SER 499 Cb 0.00 -2.64 -0.10 0.00 0.10 0.00 0.00 66.02 63.37 3hxr s SER 499 CO 0.00 -0.86 1.29 -1.61 0.98 0.00 0.00 173.24 173.04 3hxr s GLU 500 N -2.20 4.38 0.00 4.02 2.02 -1.26 -5.14 118.70 120.52 3hxr s GLU 500 Ca 0.56 2.17 0.00 0.00 0.02 0.00 0.00 54.97 57.72 3hxr s GLU 500 Cb -0.40 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 30.74 3hxr s GLU 500 CO 0.52 -0.16 0.00 0.39 0.02 0.00 0.00 175.26 176.03 3hxr n GLU 505 N 0.99 0.00 -0.22 1.61 -0.58 -1.26 -5.17 120.64 116.01 3hxr n GLU 505 Ca 0.00 0.16 -0.05 0.00 -0.42 0.00 0.00 57.16 56.86 3hxr n GLU 505 Cb 0.42 -0.64 -0.04 0.00 -0.57 0.00 0.00 31.44 30.62 3hxr n GLU 505 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3hxr n LEU 506 N -1.06 -0.52 -0.30 -4.62 0.00 -1.26 0.46 117.00 109.70 3hxr n LEU 506 Ca 0.00 0.96 0.16 0.00 0.00 0.00 0.00 56.01 57.13 3hxr n LEU 506 Cb 0.00 -0.15 0.31 0.00 0.00 0.00 0.00 43.42 43.58 3hxr n LEU 506 CO 0.00 -0.80 0.75 0.33 0.00 0.00 0.00 177.39 177.67 3hxr n PHE 507 N -4.71 0.65 -0.10 1.96 7.35 -1.26 0.18 117.46 121.54 3hxr n PHE 507 Ca 0.02 1.07 -0.10 0.00 -0.76 0.00 0.00 57.45 57.68 3hxr n PHE 507 Cb 0.16 -1.22 -0.02 0.00 0.35 0.00 0.00 39.48 38.75 3hxr n PHE 507 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3hxr h LYS 508 N 0.00 0.48 -0.20 -4.13 1.57 0.96 0.24 116.57 115.49 3hxr h LYS 508 Ca 0.58 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 59.33 3hxr h LYS 508 Cb 1.28 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 3hxr h LYS 508 CO -0.81 0.49 -0.23 -0.92 -0.57 0.00 0.00 179.45 177.41 3hxr h TYR 509 N 0.37 -0.60 -0.01 -1.35 5.03 0.25 0.41 116.97 121.07 3hxr h TYR 509 Ca 0.11 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 3hxr h TYR 509 Cb 0.19 0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.76 3hxr h TYR 509 CO -0.00 -0.31 -0.06 -0.07 -1.32 0.00 0.00 178.16 176.40 3hxr h LEU 510 N -0.25 0.01 -0.27 2.82 3.38 -0.74 -2.08 115.31 118.18 3hxr h LEU 510 Ca 0.12 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 3hxr h LEU 510 Cb 0.44 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hxr h LEU 510 CO -0.35 0.07 -0.41 -0.09 0.09 0.00 0.00 178.44 177.76 3hxr h ARG 511 N 0.01 0.75 -0.30 1.13 2.43 0.65 -2.04 114.38 117.02 3hxr h ARG 511 Ca 0.00 -0.45 -0.15 0.00 -0.81 0.00 0.00 59.98 58.58 3hxr h ARG 511 Cb 0.11 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3hxr h ARG 511 CO 0.01 1.07 -0.40 1.79 -1.51 0.00 0.00 179.97 180.93 3hxr h THR 512 N 0.49 1.29 -0.05 0.20 1.35 -0.62 -1.82 112.91 113.75 3hxr h THR 512 Ca 0.03 -1.58 -0.00 0.00 -0.55 0.00 0.00 66.41 64.31 3hxr h THR 512 Cb 1.00 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3hxr h THR 512 CO 0.09 0.51 0.03 -0.07 -0.25 0.00 0.00 175.52 175.83 3hxr h LEU 513 N 0.59 0.06 -2.03 3.87 3.38 -1.34 -2.11 115.31 117.73 3hxr h LEU 513 Ca 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3hxr h LEU 513 Cb 0.94 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 3hxr h LEU 513 CO 0.09 0.09 -0.07 -1.13 0.09 0.00 0.00 178.44 177.50 3hxr h ASN 514 N 0.03 0.00 0.16 -0.43 -0.73 -1.29 0.18 115.58 113.50 3hxr h ASN 514 Ca 0.02 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.18 3hxr h ASN 514 Cb 0.04 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.63 3hxr h ASN 514 CO -0.00 0.07 -0.07 1.23 -0.37 0.00 0.00 177.43 178.29 3hxr h GLY 515 N 0.91 -0.22 0.49 1.57 0.00 -0.69 -1.21 103.07 103.92 3hxr h GLY 515 Ca -0.00 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 3hxr h GLY 515 CO 0.01 -0.08 -0.01 -2.75 0.00 0.00 0.00 176.54 173.71 3hxr h PHE 516 N -0.43 0.03 -0.51 5.60 3.57 -0.89 -3.23 116.94 121.08 3hxr h PHE 516 Ca -0.02 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.55 3hxr h PHE 516 Cb 0.33 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 3hxr h PHE 516 CO -0.00 0.55 0.35 0.00 -2.23 0.00 0.00 178.31 176.97 3hxr h ALA 517 N 0.48 2.02 -0.03 2.41 0.00 -0.74 -0.46 119.26 122.94 3hxr h ALA 517 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hxr h ALA 517 Cb 0.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hxr h ALA 517 CO 0.00 -0.13 0.04 0.66 0.00 0.00 0.00 179.25 179.82 3hxr h SER 518 N 0.35 0.00 0.16 0.00 4.64 -1.23 -2.12 113.55 115.35 3hxr h SER 518 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3hxr h SER 518 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3hxr h SER 518 CO -0.06 0.00 -0.03 0.41 -0.87 0.00 0.00 176.83 176.29 3hxr n THR 519 N -3.74 0.00 -3.75 2.95 -1.04 -0.18 -4.83 114.28 103.69 3hxr n THR 519 Ca -0.02 -0.06 -0.36 0.00 -2.04 0.00 0.00 64.05 61.57 3hxr n THR 519 Cb 0.13 -0.22 -0.07 0.00 -1.82 0.00 0.00 70.33 68.35 3hxr n THR 519 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hxr s LEU 520 N -2.19 4.30 0.66 -4.42 1.02 -0.80 -4.96 118.68 112.30 3hxr s LEU 520 Ca 0.39 0.41 -0.17 0.00 0.02 0.00 0.00 54.13 54.78 3hxr s LEU 520 Cb 0.21 -2.15 -0.02 0.00 0.02 0.00 0.00 46.19 44.24 3hxr s LEU 520 CO 0.40 0.27 0.95 -1.54 0.02 0.00 0.00 176.35 176.45 3hxr n SER 521 N 2.83 0.56 0.12 2.29 3.41 -1.26 -4.84 113.62 116.73 3hxr n SER 521 Ca -0.17 0.73 0.05 0.00 -0.26 0.00 0.00 58.87 59.22 3hxr n SER 521 Cb 0.53 -1.39 0.48 0.00 -0.26 0.00 0.00 64.21 63.57 3hxr n SER 521 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3hxr h ASN 522 N 0.10 0.23 0.05 4.04 4.21 -1.97 -2.58 115.58 119.66 3hxr h ASN 522 Ca -0.48 -0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.03 3hxr h ASN 522 Cb 1.35 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 38.45 3hxr h ASN 522 CO 0.49 0.25 -0.27 0.44 -1.29 0.00 0.00 177.43 177.05 3hxr h ASP 523 N 0.26 -0.78 -1.00 5.81 3.32 -1.98 0.15 116.42 122.19 3hxr h ASP 523 Ca 0.06 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.25 3hxr h ASP 523 Cb 0.13 0.31 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 3hxr h ASP 523 CO -0.00 -0.34 0.66 0.58 -1.72 0.00 0.00 179.24 178.41 3hxr h VAL 524 N -0.43 1.17 -0.41 -1.35 2.07 -1.82 0.76 116.25 116.23 3hxr h VAL 524 Ca 0.05 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3hxr h VAL 524 Cb 0.50 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3hxr h VAL 524 CO -0.20 0.23 0.14 -0.07 0.02 0.00 0.00 177.57 177.69 3hxr h LEU 525 N 1.27 0.58 -0.66 2.57 3.38 -1.05 0.28 115.31 121.68 3hxr h LEU 525 Ca 0.40 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 3hxr h LEU 525 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3hxr h LEU 525 CO -0.13 0.61 -0.09 0.03 0.09 0.00 0.00 178.44 178.95 3hxr h ARG 526 N 0.51 0.96 -0.38 1.13 3.08 -0.23 -0.37 114.38 119.08 3hxr h ARG 526 Ca 0.13 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3hxr h ARG 526 Cb 0.23 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hxr h ARG 526 CO -0.01 1.00 0.19 0.77 -1.07 0.00 0.00 179.97 180.85 3hxr h SER 527 N 0.86 0.49 -0.33 7.04 0.02 0.10 -1.81 113.55 119.93 3hxr h SER 527 Ca 0.14 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 3hxr h SER 527 Cb 0.63 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3hxr h SER 527 CO 0.04 0.47 -0.08 0.40 -1.14 0.00 0.00 176.83 176.53 3hxr h ILE 528 N 0.48 1.28 -0.84 3.27 2.04 -0.31 -3.06 117.51 120.38 3hxr h ILE 528 Ca 0.13 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 3hxr h ILE 528 Cb 0.10 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3hxr h ILE 528 CO -0.02 0.37 0.45 -1.28 0.00 0.00 0.00 178.15 177.67 3hxr h SER 529 N 0.42 1.05 -0.77 1.72 0.87 -0.87 -0.98 113.55 114.98 3hxr h SER 529 Ca 0.08 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3hxr h SER 529 Cb 0.57 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 3hxr h SER 529 CO 0.03 0.84 0.27 0.50 -0.53 0.00 0.00 176.83 177.94 3hxr h LYS 530 N 1.17 1.18 -0.93 2.24 3.64 -1.34 -2.44 116.57 120.10 3hxr h LYS 530 Ca 0.29 -0.24 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3hxr h LYS 530 Cb 0.03 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 3hxr h LYS 530 CO -0.05 0.98 0.61 0.87 -2.27 0.00 0.00 179.45 179.60 3hxr h LYS 531 N 1.14 1.17 -0.27 1.90 1.57 -1.09 0.56 116.57 121.55 3hxr h LYS 531 Ca 0.25 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3hxr h LYS 531 Cb 0.28 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3hxr h LYS 531 CO -0.01 0.77 0.11 0.74 -0.57 0.00 0.00 179.45 180.49 3hxr h PHE 532 N 1.20 0.36 -0.43 -1.35 0.04 -0.96 -0.79 116.94 115.02 3hxr h PHE 532 Ca 0.36 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.08 3hxr h PHE 532 Cb -0.05 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 3hxr h PHE 532 CO -0.00 0.29 0.12 -0.07 -0.60 0.00 0.00 178.31 178.05 3hxr h LEU 533 N 0.38 0.65 -1.45 1.54 3.38 0.47 -3.07 115.31 117.20 3hxr h LEU 533 Ca 0.10 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.94 3hxr h LEU 533 Cb 0.07 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3hxr h LEU 533 CO -0.01 0.70 0.48 0.44 0.09 0.00 0.00 178.44 180.13 3hxr h ASP 534 N 0.57 0.56 -0.56 -0.43 3.32 -0.20 0.24 116.42 119.92 3hxr h ASP 534 Ca 0.14 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3hxr h ASP 534 Cb 0.29 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3hxr h ASP 534 CO -0.00 0.34 0.35 0.40 -1.72 0.00 0.00 179.24 178.60 3hxr h ILE 535 N 0.62 1.16 -0.36 0.35 2.04 -1.40 0.80 117.51 120.72 3hxr h ILE 535 Ca 0.33 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 3hxr h ILE 535 Cb 0.47 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3hxr h ILE 535 CO -0.12 0.16 -0.11 0.40 0.00 0.00 0.00 178.15 178.49 3hxr h ILE 536 N 0.75 1.28 0.00 -0.67 1.08 -1.06 -1.54 117.51 117.36 3hxr h ILE 536 Ca 0.20 -1.20 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 3hxr h ILE 536 Cb -0.03 1.31 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 3hxr h ILE 536 CO -0.04 0.39 -0.06 0.71 -0.69 0.00 0.00 178.15 178.47 3hxr h THR 537 N 0.50 0.91 0.00 -0.27 1.35 -0.96 -3.44 112.91 111.01 3hxr h THR 537 Ca 0.09 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3hxr h THR 537 Cb 0.63 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3hxr h THR 537 CO 0.04 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 3hxr n GLY 538 N -1.29 0.73 0.37 5.82 0.00 0.20 -4.89 105.19 106.13 3hxr n GLY 538 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hxr n GLY 538 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hxr h GLU 539 N 2.49 1.16 -6.51 1.61 4.57 0.05 -3.25 114.58 114.69 3hxr h GLU 539 Ca 0.00 -0.07 -0.57 0.00 -1.18 0.00 0.00 59.36 57.54 3hxr h GLU 539 Cb 0.00 -0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 28.27 3hxr h GLU 539 CO 0.00 0.76 0.91 -0.51 -1.18 0.00 0.00 179.01 179.00 3hxr s LEU 540 N -10.02 3.77 0.08 1.64 1.43 -0.98 -4.89 118.68 109.71 3hxr s LEU 540 Ca -0.12 0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 53.46 3hxr s LEU 540 Cb 0.18 -3.55 -0.17 0.00 0.03 0.00 0.00 46.19 42.69 3hxr s LEU 540 CO 0.80 -1.11 0.74 -2.65 0.23 0.00 0.00 176.35 174.37 3hxr n PRO 541 N 7.43 0.00 -0.00 1.29 -0.02 -1.22 -4.76 135.00 137.71 3hxr n PRO 541 Ca 0.13 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.58 3hxr n PRO 541 Cb 0.48 -1.15 0.24 0.00 -0.02 0.00 0.00 33.50 33.05 3hxr n PRO 541 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3hxr h ASP 542 N 1.90 0.51 0.00 2.55 1.82 -1.90 -3.46 116.42 117.84 3hxr h ASP 542 Ca -0.37 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 3hxr h ASP 542 Cb 1.28 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.16 3hxr h ASP 542 CO 0.55 0.67 0.64 -0.24 -1.61 0.00 0.00 179.24 179.25 3hxr n SER 543 N -4.19 0.00 -4.43 2.28 2.88 -1.26 -4.99 113.62 103.90 3hxr n SER 543 Ca 0.01 -1.53 -0.27 0.00 -1.33 0.00 0.00 58.87 55.75 3hxr n SER 543 Cb 0.33 -0.21 -0.12 0.00 -0.75 0.00 0.00 64.21 63.46 3hxr n SER 543 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3hxr s THR 545 N 3.49 2.41 0.21 2.46 2.01 -1.26 -5.14 115.64 119.82 3hxr s THR 545 Ca 0.00 -2.02 -0.09 0.00 0.31 0.00 0.00 61.69 59.89 3hxr s THR 545 Cb 0.00 -2.16 0.14 0.00 0.01 0.00 0.00 72.50 70.49 3hxr s THR 545 CO 0.00 -0.12 1.82 0.74 -0.69 0.00 0.00 174.62 176.36 3hxr h THR 546 N 3.15 1.00 -0.29 -0.82 2.02 -1.99 0.26 112.91 116.23 3hxr h THR 546 Ca -0.46 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 66.51 3hxr h THR 546 Cb 1.21 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 3hxr h THR 546 CO 0.49 0.13 0.05 0.58 0.37 0.00 0.00 175.52 177.13 3hxr h VAL 547 N 0.73 0.84 -0.22 3.16 2.07 -1.99 -1.35 116.25 119.49 3hxr h VAL 547 Ca 0.30 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.82 3hxr h VAL 547 Cb 0.15 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3hxr h VAL 547 CO -0.17 0.03 -0.10 -0.33 0.02 0.00 0.00 177.57 177.03 3hxr h GLU 548 N 0.15 -0.06 -0.90 1.57 5.08 -1.08 -0.33 114.58 119.01 3hxr h GLU 548 Ca 0.14 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3hxr h GLU 548 Cb 0.15 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3hxr h GLU 548 CO -0.19 -0.04 0.58 0.87 -1.00 0.00 0.00 179.01 179.23 3hxr h LYS 549 N -0.07 1.08 -0.35 2.33 1.57 -0.32 -0.56 116.57 120.25 3hxr h LYS 549 Ca 0.12 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 3hxr h LYS 549 Cb 0.24 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3hxr h LYS 549 CO -0.26 0.71 -0.44 0.74 -0.57 0.00 0.00 179.45 179.63 3hxr h PHE 550 N 1.11 1.12 0.00 -1.35 0.05 -0.72 -0.27 116.94 116.88 3hxr h PHE 550 Ca 0.37 -0.36 -0.05 0.00 3.82 0.00 0.00 57.97 61.75 3hxr h PHE 550 Cb 0.04 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 37.76 3hxr h PHE 550 CO -0.02 1.19 -0.24 1.79 -0.18 0.00 0.00 178.31 180.85 3hxr h THR 551 N 0.73 1.08 0.34 -1.55 1.35 -0.75 -0.65 112.91 113.45 3hxr h THR 551 Ca 0.04 -0.86 -0.02 0.00 -0.55 0.00 0.00 66.41 65.03 3hxr h THR 551 Cb 1.04 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3hxr h THR 551 CO 0.10 0.24 -0.16 -0.78 -0.25 0.00 0.00 175.52 174.67 3hxr h ASP 552 N 0.00 -0.39 -0.91 5.36 3.58 -0.59 -2.43 116.42 121.04 3hxr h ASP 552 Ca -0.00 -0.16 0.14 0.00 0.42 0.00 0.00 57.03 57.43 3hxr h ASP 552 Cb 0.46 0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.53 3hxr h ASP 552 CO 0.03 -0.01 0.58 0.40 -2.88 0.00 0.00 179.24 177.36 3hxr h ILE 553 N -0.82 0.85 0.83 2.25 2.04 -0.91 -2.65 117.51 119.09 3hxr h ILE 553 Ca -0.05 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 3hxr h ILE 553 Cb 0.52 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3hxr h ILE 553 CO 0.08 0.13 -0.40 0.15 0.00 0.00 0.00 178.15 178.11 3hxr h PHE 554 N 0.74 -1.03 -0.52 1.37 3.57 -1.05 -1.96 116.94 118.05 3hxr h PHE 554 Ca 0.45 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.03 3hxr h PHE 554 Cb 0.68 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 3hxr h PHE 554 CO -0.00 -0.64 0.35 0.87 -2.23 0.00 0.00 178.31 176.66 3hxr h LYS 555 N -1.14 0.29 0.04 1.11 1.79 -1.21 -0.76 116.57 116.69 3hxr h LYS 555 Ca -0.11 -0.02 -0.27 0.00 -2.18 0.00 0.00 60.65 58.07 3hxr h LYS 555 Cb 0.85 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.41 3hxr h LYS 555 CO 0.19 0.19 -1.44 -0.91 -1.08 0.00 0.00 179.45 176.40 3hxr h ASN 556 N 0.29 0.13 0.00 0.86 4.21 -1.45 -3.37 115.58 116.25 3hxr h ASN 556 Ca 0.24 -0.19 -0.13 0.00 1.21 0.00 0.00 56.30 57.44 3hxr h ASN 556 Cb 0.56 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.70 3hxr h ASN 556 CO -0.05 1.16 -1.48 0.00 -1.29 0.00 0.00 177.43 175.77 3hxr n LEU 558 N -2.67 0.35 -0.20 0.00 4.77 -0.41 -4.43 117.00 114.41 3hxr n LEU 558 Ca -0.14 -0.30 0.12 0.00 -0.03 0.00 0.00 56.01 55.66 3hxr n LEU 558 Cb 0.67 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.18 3hxr n LEU 558 CO 0.09 0.09 1.21 1.05 -1.33 0.00 0.00 177.39 178.50 3hxr h GLU 559 N 0.00 0.58 -7.26 3.23 -0.00 -1.40 -3.40 114.58 106.33 3hxr h GLU 559 Ca 0.00 -0.04 -0.50 0.00 -0.00 0.00 0.00 59.36 58.82 3hxr h GLU 559 Cb 0.42 -0.13 0.18 0.00 -0.00 0.00 0.00 28.75 29.22 3hxr h GLU 559 CO 0.00 0.39 0.21 0.54 -0.00 0.00 0.00 179.01 180.15 3hxr s ASN 560 N -5.96 2.93 0.30 3.06 2.20 -1.26 -4.83 114.94 111.37 3hxr s ASN 560 Ca -0.09 1.97 -0.30 0.00 -0.94 0.00 0.00 52.86 53.50 3hxr s ASN 560 Cb 0.21 -2.49 -0.12 0.00 -2.00 0.00 0.00 41.25 36.85 3hxr s ASN 560 CO 0.77 -3.06 1.50 0.00 -2.94 0.00 0.00 177.10 173.38 3hxr n GLN 561 N -4.19 2.49 -3.80 3.55 -0.00 -1.26 -4.98 117.38 109.18 3hxr n GLN 561 Ca 0.10 0.88 -0.13 0.00 -0.00 0.00 0.00 57.00 57.85 3hxr n GLN 561 Cb 0.53 -2.61 -0.14 0.00 -0.00 0.00 0.00 30.24 28.03 3hxr n GLN 561 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 3hxr s PHE 562 N -0.32 -0.13 0.26 2.61 -0.00 -1.26 -5.07 117.98 114.07 3hxr s PHE 562 Ca 0.62 0.35 -0.31 0.00 -0.00 0.00 0.00 56.93 57.59 3hxr s PHE 562 Cb -0.53 -0.02 -0.12 0.00 -0.00 0.00 0.00 43.02 42.35 3hxr s PHE 562 CO 0.53 -0.10 1.60 0.39 -0.00 0.00 0.00 175.22 177.64 3hxr n GLU 563 N 3.50 2.62 -0.20 1.99 1.02 -1.26 -4.86 120.64 123.45 3hxr n GLU 563 Ca -0.18 0.93 -0.05 0.00 -0.02 0.00 0.00 57.16 57.84 3hxr n GLU 563 Cb 0.56 -2.72 0.11 0.00 -0.02 0.00 0.00 31.44 29.38 3hxr n GLU 563 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hxr h ILE 564 N 3.42 1.25 -0.85 -3.67 1.08 -2.01 -2.46 117.51 114.27 3hxr h ILE 564 Ca -0.46 -0.90 0.13 0.00 -0.39 0.00 0.00 64.86 63.24 3hxr h ILE 564 Cb 1.23 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 35.49 3hxr h ILE 564 CO 0.83 0.34 0.55 0.00 -0.69 0.00 0.00 178.15 179.18 3hxr h THR 565 N 0.96 0.87 -0.14 -0.27 1.03 -2.01 -2.39 112.91 110.96 3hxr h THR 565 Ca 0.21 -0.23 -0.04 0.00 -0.01 0.00 0.00 66.41 66.33 3hxr h THR 565 Cb 0.33 0.12 -0.00 0.00 -1.07 0.00 0.00 68.15 67.52 3hxr h THR 565 CO -0.00 0.12 -0.06 0.78 -0.01 0.00 0.00 175.52 176.35 3hxr h ASN 566 N 0.68 0.30 -0.98 0.00 2.35 -1.81 -3.08 115.58 113.05 3hxr h ASN 566 Ca 0.42 -0.41 0.10 0.00 -0.55 0.00 0.00 56.30 55.87 3hxr h ASN 566 Cb 0.65 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.86 3hxr h ASN 566 CO -0.18 0.64 0.61 0.25 -1.65 0.00 0.00 177.43 177.10 3hxr h LEU 567 N -0.04 0.92 0.47 1.61 6.46 -1.35 -1.43 115.31 121.95 3hxr h LEU 567 Ca 0.03 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3hxr h LEU 567 Cb 0.52 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 3hxr h LEU 567 CO 0.02 0.52 -0.33 0.50 -0.62 0.00 0.00 178.44 178.53 3hxr h LYS 568 N 1.01 -0.76 -0.91 1.25 3.64 -1.42 0.62 116.57 120.01 3hxr h LYS 568 Ca 0.47 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 60.13 3hxr h LYS 568 Cb 0.39 0.17 -0.17 0.00 -0.41 0.00 0.00 32.23 32.22 3hxr h LYS 568 CO -0.24 -0.50 -0.00 0.82 -2.27 0.00 0.00 179.45 177.25 3hxr h ILE 569 N -0.78 0.14 0.09 2.00 1.08 -1.36 0.71 117.51 119.38 3hxr h ILE 569 Ca -0.05 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3hxr h ILE 569 Cb 0.66 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 3hxr h ILE 569 CO 0.02 0.01 -0.08 0.25 -0.69 0.00 0.00 178.15 177.66 3hxr h LEU 570 N 0.05 -0.22 -0.20 1.44 7.12 -0.10 -1.61 115.31 121.79 3hxr h LEU 570 Ca 0.52 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.53 3hxr h LEU 570 Cb 1.00 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.20 3hxr h LEU 570 CO -0.84 -0.13 0.03 0.15 -0.13 0.00 0.00 178.44 177.52 3hxr h PHE 571 N -0.19 0.35 -1.00 1.25 3.04 0.70 -2.14 116.94 118.96 3hxr h PHE 571 Ca 0.00 -0.05 0.11 0.00 3.98 0.00 0.00 57.97 62.01 3hxr h PHE 571 Cb 0.18 -0.09 -0.08 0.00 2.56 0.00 0.00 35.95 38.52 3hxr h PHE 571 CO -0.11 0.48 0.63 -0.44 -2.02 0.00 0.00 178.31 176.86 3hxr h ASP 572 N 0.12 0.94 -0.37 0.41 3.32 -0.88 -2.10 116.42 117.85 3hxr h ASP 572 Ca 0.06 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 3hxr h ASP 572 Cb 0.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3hxr h ASP 572 CO 0.00 0.52 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.39 3hxr h GLU 573 N 1.02 0.88 0.00 3.56 5.08 -1.10 -3.03 114.58 120.98 3hxr h GLU 573 Ca 0.48 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hxr h GLU 573 Cb 0.43 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3hxr h GLU 573 CO -0.24 1.09 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.79 3hxr h LEU 574 N 0.68 0.00 0.00 1.33 4.07 -0.71 -1.31 115.31 119.37 3hxr h LEU 574 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3hxr h LEU 574 Cb 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 3hxr h LEU 574 CO 0.08 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 178.04 3hxr n ASN 575 N -3.13 0.00 -1.09 -0.43 4.13 -1.07 -2.95 115.26 110.73 3hxr n ASN 575 Ca -0.02 -0.32 0.12 0.00 1.68 0.00 0.00 54.58 56.03 3hxr n ASN 575 Cb 0.12 -0.17 0.25 0.00 -1.54 0.00 0.00 39.78 38.44 3hxr n ASN 575 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3hxr n SER 576 N -1.17 3.24 -4.23 6.41 7.64 -0.49 -4.95 113.62 120.06 3hxr n SER 576 Ca 0.14 -1.96 -0.25 0.00 1.01 0.00 0.00 58.87 57.81 3hxr n SER 576 Cb 0.14 -0.26 -0.14 0.00 -1.01 0.00 0.00 64.21 62.94 3hxr n SER 576 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3hxr s PHE 577 N -1.48 1.72 -1.11 1.43 0.40 -1.15 -5.01 117.98 112.77 3hxr s PHE 577 Ca 0.39 -0.37 -0.19 0.00 -0.60 0.00 0.00 56.93 56.16 3hxr s PHE 577 Cb 0.22 -1.03 0.09 0.00 0.51 0.00 0.00 43.02 42.82 3hxr s PHE 577 CO 0.31 0.08 1.46 0.34 0.70 0.00 0.00 175.22 178.11 3hxr s ASP 578 N -1.14 6.73 0.25 1.36 -1.08 -1.26 -4.77 116.67 116.76 3hxr s ASP 578 Ca 0.07 -2.14 -0.05 0.00 -0.52 0.00 0.00 52.55 49.91 3hxr s ASP 578 Cb -0.09 -2.51 0.30 0.00 -1.46 0.00 0.00 42.92 39.17 3hxr s ASP 578 CO 0.02 -1.18 1.91 0.40 0.52 0.00 0.00 175.17 176.83 3hxr h ILE 579 N 5.87 1.19 -0.71 4.11 2.04 -1.95 -1.89 117.51 126.16 3hxr h ILE 579 Ca 0.28 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.77 3hxr h ILE 579 Cb 0.95 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3hxr h ILE 579 CO 1.34 0.23 0.47 1.55 0.00 0.00 0.00 178.15 181.74 3hxr h PRO 580 N 1.27 0.72 0.01 2.37 0.13 -2.00 -1.27 132.00 133.23 3hxr h PRO 580 Ca 0.38 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 65.31 3hxr h PRO 580 Cb -0.05 -0.16 0.01 0.00 0.13 0.00 0.00 31.00 30.93 3hxr h PRO 580 CO -0.11 0.48 -0.61 0.28 -0.23 0.00 0.00 178.00 177.81 3hxr h VAL 581 N 0.74 1.44 0.00 1.56 2.07 -1.76 -2.90 116.25 117.40 3hxr h VAL 581 Ca 0.31 -2.11 -0.06 0.00 0.82 0.00 0.00 66.70 65.66 3hxr h VAL 581 Cb 0.25 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3hxr h VAL 581 CO -0.10 0.61 -0.28 -0.37 0.02 0.00 0.00 177.57 177.45 3hxr h VAL 582 N -0.13 0.80 0.46 2.57 -1.51 -1.07 -1.63 116.25 115.74 3hxr h VAL 582 Ca -0.08 -1.17 -0.02 0.00 -1.23 0.00 0.00 66.70 64.20 3hxr h VAL 582 Cb 1.33 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 32.21 3hxr h VAL 582 CO 0.12 0.28 -0.22 -0.07 -1.23 0.00 0.00 177.57 176.44 3hxr h LEU 583 N 0.00 -0.53 -1.69 4.19 3.38 -1.33 -0.73 115.31 118.61 3hxr h LEU 583 Ca -0.00 -0.09 0.33 0.00 0.09 0.00 0.00 57.88 58.21 3hxr h LEU 583 Cb 0.70 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 3hxr h LEU 583 CO 0.04 -0.15 0.79 0.78 0.09 0.00 0.00 178.44 179.99 3hxr h ASN 584 N -0.96 0.20 0.06 -0.43 4.21 -1.26 0.96 115.58 118.37 3hxr h ASN 584 Ca -0.06 0.05 -0.23 0.00 1.21 0.00 0.00 56.30 57.26 3hxr h ASN 584 Cb 0.58 0.02 0.01 0.00 -1.12 0.00 0.00 38.32 37.81 3hxr h ASN 584 CO 0.10 0.02 -0.88 -0.78 -1.29 0.00 0.00 177.43 174.60 3hxr h ASP 585 N 0.17 0.78 -0.28 5.81 3.58 -1.23 -1.73 116.42 123.52 3hxr h ASP 585 Ca 0.61 -0.56 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 3hxr h ASP 585 Cb 2.03 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 42.84 3hxr h ASP 585 CO -0.16 1.36 -0.35 0.25 -2.88 0.00 0.00 179.24 177.45 3hxr h LEU 586 N 0.39 0.79 0.05 2.28 6.46 0.22 0.15 115.31 125.65 3hxr h LEU 586 Ca -0.08 -0.50 -0.21 0.00 -0.12 0.00 0.00 57.88 56.98 3hxr h LEU 586 Cb 1.51 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.20 3hxr h LEU 586 CO 0.17 1.13 -1.08 0.40 -0.62 0.00 0.00 178.44 178.44 3hxr h ILE 587 N 0.47 1.13 -0.01 4.05 1.08 0.26 -3.32 117.51 121.17 3hxr h ILE 587 Ca 0.03 -2.30 0.00 0.00 -0.39 0.00 0.00 64.86 62.20 3hxr h ILE 587 Cb 0.94 2.65 0.00 0.00 -3.07 0.00 0.00 36.82 37.34 3hxr h ILE 587 CO 0.08 0.54 -0.49 0.59 -0.69 0.00 0.00 178.15 178.18 3hxr n ASN 588 N -4.25 1.24 0.02 1.72 3.02 -0.65 -2.46 115.26 113.90 3hxr n ASN 588 Ca -0.25 -0.99 -0.01 0.00 -0.03 0.00 0.00 54.58 53.30 3hxr n ASN 588 Cb 0.73 0.40 -0.00 0.00 -0.61 0.00 0.00 39.78 40.30 3hxr n ASN 588 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hxr n ASN 589 N -0.74 0.87 0.00 6.41 3.02 -1.13 -4.66 115.26 119.02 3hxr n ASN 589 Ca 0.09 0.12 0.02 0.00 -0.03 0.00 0.00 54.58 54.77 3hxr n ASN 589 Cb 0.38 -0.30 0.09 0.00 -0.61 0.00 0.00 39.78 39.35 3hxr n ASN 589 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3hxr n GLN 590 N -3.29 0.40 -0.78 3.52 -0.06 0.50 -4.71 117.38 112.96 3hxr n GLN 590 Ca -0.01 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.68 3hxr n GLN 590 Cb 0.05 -1.12 -0.04 0.00 -4.06 0.00 0.00 30.24 25.06 3hxr n GLN 590 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 3hxr n LYS 592 N -0.62 0.00 0.00 3.69 4.81 -1.03 -4.97 118.16 120.04 3hxr n LYS 592 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3hxr n LYS 592 Cb 0.01 -0.72 0.00 0.00 0.02 0.00 0.00 35.03 34.34 3hxr n LYS 592 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3hxr n PRO 593 N 1.33 2.69 0.00 1.64 -0.02 -1.26 -4.81 135.00 134.58 3hxr n PRO 593 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3hxr n PRO 593 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3hxr n PRO 593 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3hxr n ASP 600 N 0.00 0.00 -4.25 2.55 4.64 -1.26 -5.12 116.55 113.12 3hxr n ASP 600 Ca 0.00 0.00 -0.19 0.00 -1.38 0.00 0.00 54.79 53.22 3hxr n ASP 600 Cb 0.00 0.00 -0.11 0.00 -1.04 0.00 0.00 41.12 39.97 3hxr n ASP 600 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3hxr s PHE 601 N -2.00 1.44 -0.05 -0.67 0.08 -1.26 -5.14 117.98 110.39 3hxr s PHE 601 Ca 0.00 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.52 3hxr s PHE 601 Cb 0.00 -0.75 0.02 0.00 -0.57 0.00 0.00 43.02 41.72 3hxr s PHE 601 CO 0.00 0.16 -0.04 -1.50 -0.10 0.00 0.00 175.22 173.74 3hxr s ILE 602 N -2.04 0.52 0.01 0.64 2.07 -1.26 -4.89 121.20 116.24 3hxr s ILE 602 Ca 0.09 -0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.22 3hxr s ILE 602 Cb -0.05 -0.56 -0.00 0.00 0.13 0.00 0.00 42.46 41.98 3hxr s ILE 602 CO 0.03 0.23 -0.01 -1.20 -1.91 0.00 0.00 174.94 172.08 3hxr n SER 603 N 4.14 0.22 -0.95 4.50 7.64 -1.25 0.10 113.62 128.02 3hxr n SER 603 Ca -0.23 0.03 0.11 0.00 1.01 0.00 0.00 58.87 59.79 3hxr n SER 603 Cb 0.51 -0.07 0.12 0.00 -1.01 0.00 0.00 64.21 63.76 3hxr n SER 603 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hxr n ALA 604 N -3.11 2.45 -0.91 -0.43 0.00 0.54 -4.16 120.51 114.89 3hxr n ALA 604 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3hxr n ALA 604 Cb 0.43 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3hxr n ALA 604 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3hxr n ILE 605 N 1.29 0.00 -1.55 0.00 3.06 -1.26 -4.80 119.36 116.10 3hxr n ILE 605 Ca 0.14 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 60.05 3hxr n ILE 605 Cb 0.56 0.00 0.08 0.00 0.54 0.00 0.00 39.64 40.82 3hxr n ILE 605 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 3hxr s LYS 606 N 0.00 2.35 0.21 9.51 1.02 -1.26 -4.54 119.74 127.03 3hxr s LYS 606 Ca 0.00 1.66 -0.30 0.00 0.02 0.00 0.00 55.97 57.35 3hxr s LYS 606 Cb 0.00 -1.87 -0.09 0.00 -0.52 0.00 0.00 37.83 35.35 3hxr s LYS 606 CO 0.00 -1.65 1.34 0.12 -0.92 0.00 0.00 175.35 174.24 3hxr s PHE 607 N -2.07 3.20 -0.30 3.18 5.36 -1.26 -4.90 117.98 121.20 3hxr s PHE 607 Ca 0.72 1.17 -0.10 0.00 -0.96 0.00 0.00 56.93 57.76 3hxr s PHE 607 Cb -0.27 -3.65 0.17 0.00 -0.34 0.00 0.00 43.02 38.93 3hxr s PHE 607 CO 0.44 -2.07 0.88 0.34 -1.46 0.00 0.00 175.22 173.34 3hxr s ASP 608 N 0.36 -0.80 0.00 6.13 2.15 -1.26 -4.77 116.67 118.49 3hxr s ASP 608 Ca 0.57 0.69 0.00 0.00 0.43 0.00 0.00 52.55 54.24 3hxr s ASP 608 Cb -0.38 1.75 0.00 0.00 -0.30 0.00 0.00 42.92 43.99 3hxr s ASP 608 CO 0.39 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.85 3hxr n GLY 609 N 5.33 2.16 0.13 2.66 0.00 -1.26 -2.64 105.19 111.56 3hxr n GLY 609 Ca -0.06 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 3hxr n GLY 609 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hxr n PHE 610 N 0.00 0.91 -0.19 1.61 7.35 -1.24 -3.83 117.46 122.07 3hxr n PHE 610 Ca 0.00 0.24 -0.00 0.00 -0.76 0.00 0.00 57.45 56.92 3hxr n PHE 610 Cb 0.00 -1.11 0.23 0.00 0.35 0.00 0.00 39.48 38.95 3hxr n PHE 610 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hxr h THR 611 N -0.22 1.20 -0.79 -2.13 1.03 -1.90 -2.03 112.91 108.07 3hxr h THR 611 Ca -0.46 -0.47 -0.02 0.00 -0.01 0.00 0.00 66.41 65.45 3hxr h THR 611 Cb 1.84 0.24 -0.04 0.00 -1.07 0.00 0.00 68.15 69.13 3hxr h THR 611 CO -0.04 0.22 0.40 -1.28 -0.01 0.00 0.00 175.52 174.81 3hxr h SER 612 N 0.96 1.02 -0.43 0.00 0.87 -1.63 -2.89 113.55 111.44 3hxr h SER 612 Ca 0.25 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 3hxr h SER 612 Cb -0.01 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 3hxr h SER 612 CO -0.04 0.85 -0.04 0.40 -0.53 0.00 0.00 176.83 177.47 3hxr h ILE 613 N 1.11 1.27 -0.88 2.23 2.04 -1.48 -2.77 117.51 119.03 3hxr h ILE 613 Ca 0.27 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 3hxr h ILE 613 Cb 0.08 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3hxr h ILE 613 CO -0.04 0.37 0.55 0.40 0.00 0.00 0.00 178.15 179.44 3hxr h ILE 614 N 0.61 1.24 -0.35 -0.67 5.03 -1.40 -0.53 117.51 121.43 3hxr h ILE 614 Ca 0.12 -0.49 -0.03 0.00 -0.12 0.00 0.00 64.86 64.33 3hxr h ILE 614 Cb 0.54 -0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 34.29 3hxr h ILE 614 CO 0.03 0.24 0.09 0.28 -0.68 0.00 0.00 178.15 178.12 3hxr h SER 615 N 1.21 0.53 -0.39 1.72 0.02 -1.43 -0.53 113.55 114.67 3hxr h SER 615 Ca 0.32 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3hxr h SER 615 Cb -0.08 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3hxr h SER 615 CO -0.06 0.61 -0.04 0.25 -1.14 0.00 0.00 176.83 176.45 3hxr h LEU 616 N 0.42 0.72 -0.56 5.07 6.46 -1.12 -0.60 115.31 125.69 3hxr h LEU 616 Ca 0.11 -0.33 -0.10 0.00 -0.12 0.00 0.00 57.88 57.44 3hxr h LEU 616 Cb 0.28 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 3hxr h LEU 616 CO -0.00 0.88 -0.04 -0.33 -0.62 0.00 0.00 178.44 178.32 3hxr h GLU 617 N 0.54 1.02 -0.65 1.25 4.39 -1.06 -0.77 114.58 119.31 3hxr h GLU 617 Ca 0.11 -0.35 -0.07 0.00 0.34 0.00 0.00 59.36 59.39 3hxr h GLU 617 Cb 0.54 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 3hxr h GLU 617 CO 0.03 1.03 0.15 0.77 -1.16 0.00 0.00 179.01 179.83 3hxr h SER 618 N 0.90 0.99 -0.68 1.42 0.02 -1.03 -0.78 113.55 114.40 3hxr h SER 618 Ca 0.15 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 3hxr h SER 618 Cb 0.60 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 3hxr h SER 618 CO 0.04 0.97 0.18 0.25 -1.14 0.00 0.00 176.83 177.13 3hxr h LEU 619 N 0.96 1.02 -0.59 5.07 6.46 -0.91 -2.41 115.31 124.91 3hxr h LEU 619 Ca 0.20 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 3hxr h LEU 619 Cb 0.38 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 3hxr h LEU 619 CO 0.00 0.98 0.25 -0.74 -0.62 0.00 0.00 178.44 178.31 3hxr h HIS 620 N 1.01 0.89 -0.58 1.25 2.76 -0.66 -1.18 115.15 118.64 3hxr h HIS 620 Ca 0.22 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3hxr h HIS 620 Cb 0.34 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 3hxr h HIS 620 CO 0.03 0.70 0.31 0.37 -1.30 0.00 0.00 177.93 178.05 3hxr h GLN 621 N 0.81 0.82 -0.29 5.26 4.15 -0.92 -0.33 115.11 124.62 3hxr h GLN 621 Ca 0.20 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 3hxr h GLN 621 Cb 0.18 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3hxr h GLN 621 CO -0.02 0.63 0.10 1.25 -1.93 0.00 0.00 178.83 178.87 3hxr h LEU 622 N 0.79 0.41 -0.74 -2.39 6.46 -0.95 -0.74 115.31 118.15 3hxr h LEU 622 Ca 0.20 -0.18 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 3hxr h LEU 622 Cb 0.06 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 3hxr h LEU 622 CO -0.03 0.48 0.27 -0.07 -0.62 0.00 0.00 178.44 178.47 3hxr h LEU 623 N 0.31 1.05 -0.71 2.25 3.38 -1.00 0.24 115.31 120.84 3hxr h LEU 623 Ca 0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3hxr h LEU 623 Cb 0.21 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3hxr h LEU 623 CO -0.01 0.95 0.26 0.28 0.09 0.00 0.00 178.44 180.02 3hxr h SER 624 N 1.08 0.99 -0.80 -0.43 0.02 -0.88 0.76 113.55 114.29 3hxr h SER 624 Ca 0.24 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3hxr h SER 624 Cb 0.26 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3hxr h SER 624 CO -0.01 0.91 0.37 0.40 -1.14 0.00 0.00 176.83 177.36 3hxr h ILE 625 N 1.02 1.25 -0.67 3.27 2.04 -0.13 -1.83 117.51 122.46 3hxr h ILE 625 Ca 0.23 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 3hxr h ILE 625 Cb 0.24 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3hxr h ILE 625 CO -0.02 0.31 0.20 0.45 0.00 0.00 0.00 178.15 179.09 3hxr h HIS 626 N 1.15 1.09 -0.45 1.37 3.86 0.12 -2.62 115.15 119.66 3hxr h HIS 626 Ca 0.28 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3hxr h HIS 626 Cb 0.13 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3hxr h HIS 626 CO 0.02 0.88 0.26 -0.92 0.86 0.00 0.00 177.93 179.02 3hxr h TYR 627 N 0.98 0.61 0.23 2.45 5.03 0.12 0.12 116.97 126.51 3hxr h TYR 627 Ca 0.22 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.51 3hxr h TYR 627 Cb 0.31 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 3hxr h TYR 627 CO 0.02 0.45 -0.15 -0.09 -1.32 0.00 0.00 178.16 177.07 3hxr h ARG 628 N 0.59 -0.36 0.16 1.82 2.43 -1.29 0.82 114.38 118.54 3hxr h ARG 628 Ca 0.16 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3hxr h ARG 628 Cb 0.03 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3hxr h ARG 628 CO -0.03 -0.24 -0.20 0.82 -1.51 0.00 0.00 179.97 178.82 3hxr h ILE 629 N -0.37 0.56 -0.82 1.20 2.04 -1.24 -2.19 117.51 116.69 3hxr h ILE 629 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3hxr h ILE 629 Cb 0.31 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 3hxr h ILE 629 CO 0.02 0.00 0.52 0.74 0.00 0.00 0.00 178.15 179.43 3hxr h THR 630 N -0.40 1.10 -0.52 -0.27 2.02 -0.60 -1.65 112.91 112.58 3hxr h THR 630 Ca 0.01 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 66.90 3hxr h THR 630 Cb 0.40 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.77 3hxr h THR 630 CO -0.08 0.18 0.25 0.25 0.37 0.00 0.00 175.52 176.49 3hxr h LEU 631 N 1.00 0.33 -0.40 2.58 6.46 -0.56 -2.39 115.31 122.33 3hxr h LEU 631 Ca 0.34 0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 58.04 3hxr h LEU 631 Cb 0.05 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 3hxr h LEU 631 CO -0.13 0.22 -0.12 1.56 -0.62 0.00 0.00 178.44 179.36 3hxr h GLN 632 N 0.47 0.78 -0.66 1.25 4.20 -0.70 -1.07 115.11 119.39 3hxr h GLN 632 Ca 0.24 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.67 3hxr h GLN 632 Cb 0.18 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3hxr h GLN 632 CO -0.19 0.93 0.41 0.28 -0.67 0.00 0.00 178.83 179.58 3hxr h VAL 633 N 0.59 1.07 -0.52 -0.54 2.07 -1.18 -1.86 116.25 115.89 3hxr h VAL 633 Ca 0.10 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 3hxr h VAL 633 Cb 0.65 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3hxr h VAL 633 CO 0.04 0.14 0.05 -0.07 0.02 0.00 0.00 177.57 177.76 3hxr h LEU 634 N 0.79 0.79 -0.91 2.57 3.38 -1.26 -2.39 115.31 118.29 3hxr h LEU 634 Ca 0.27 -0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.24 3hxr h LEU 634 Cb 0.04 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.47 3hxr h LEU 634 CO -0.11 0.82 0.48 0.25 0.09 0.00 0.00 178.44 179.97 3hxr h LEU 635 N 0.79 0.56 -0.66 1.67 5.85 -0.41 -1.95 115.31 121.16 3hxr h LEU 635 Ca 0.16 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 3hxr h LEU 635 Cb 0.40 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3hxr h LEU 635 CO 0.01 0.19 0.00 0.71 -0.34 0.00 0.00 178.44 179.01 3hxr h THR 636 N 0.61 1.26 -0.39 1.05 1.35 -0.87 -2.66 112.91 113.27 3hxr h THR 636 Ca 0.52 -1.14 -0.04 0.00 -0.55 0.00 0.00 66.41 65.20 3hxr h THR 636 Cb 0.83 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 3hxr h THR 636 CO -0.41 0.41 0.06 -0.26 -0.25 0.00 0.00 175.52 175.07 3hxr h PHE 637 N 0.96 0.61 -0.17 4.73 0.04 -1.34 -2.22 116.94 119.55 3hxr h PHE 637 Ca 0.17 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 3hxr h PHE 637 Cb 0.55 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 3hxr h PHE 637 CO 0.04 0.56 -0.03 0.28 -0.60 0.00 0.00 178.31 178.56 3hxr h VAL 638 N 0.58 1.28 -0.01 -0.55 2.07 -1.12 -3.34 116.25 115.15 3hxr h VAL 638 Ca 0.13 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 3hxr h VAL 638 Cb 0.28 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3hxr h VAL 638 CO 0.00 0.28 -0.01 -0.07 0.02 0.00 0.00 177.57 177.80 3hxr h LEU 639 N 0.04 0.03 -8.23 2.57 3.38 -1.27 -3.41 115.31 108.43 3hxr h LEU 639 Ca 0.05 -0.40 -0.67 0.00 0.09 0.00 0.00 57.88 56.95 3hxr h LEU 639 Cb 0.44 -0.01 -0.30 0.00 0.09 0.00 0.00 40.66 40.89 3hxr h LEU 639 CO 0.01 0.42 -0.70 -0.36 0.09 0.00 0.00 178.44 177.90 3hxr s PHE 640 N -4.62 3.10 -0.55 1.13 0.08 -0.86 -5.02 117.98 111.24 3hxr s PHE 640 Ca -0.15 -1.37 -0.25 0.00 0.12 0.00 0.00 56.93 55.28 3hxr s PHE 640 Cb 0.03 -2.12 0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3hxr s PHE 640 CO 0.68 -0.68 1.00 -0.51 -0.10 0.00 0.00 175.22 175.61 3hxr s ASP 641 N 1.38 6.38 0.56 1.36 1.11 -1.26 -4.53 116.67 121.67 3hxr s ASP 641 Ca 0.01 -0.21 0.00 0.00 0.18 0.00 0.00 52.55 52.53 3hxr s ASP 641 Cb -0.17 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.36 3hxr s ASP 641 CO -0.02 -1.27 0.00 0.18 1.18 0.00 0.00 175.17 175.24 3hxr n LEU 642 N 7.67 0.00 -4.60 1.23 4.77 -1.26 -4.95 117.00 119.86 3hxr n LEU 642 Ca 0.04 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 3hxr n LEU 642 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3hxr n LEU 642 CO 0.66 -0.37 0.82 -1.81 -1.33 0.00 0.00 177.39 175.35 3hxr s ASP 643 N -1.00 6.65 0.57 -1.43 1.11 -1.26 -4.79 116.67 116.52 3hxr s ASP 643 Ca 0.00 0.49 0.30 0.00 0.18 0.00 0.00 52.55 53.53 3hxr s ASP 643 Cb 0.00 -2.48 1.72 0.00 1.07 0.00 0.00 42.92 43.23 3hxr s ASP 643 CO 0.00 -0.97 2.19 0.74 1.18 0.00 0.00 175.17 178.31 3hxr h THR 644 N 5.94 0.49 -0.62 -1.27 2.02 -1.94 0.60 112.91 118.12 3hxr h THR 644 Ca -0.23 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 3hxr h THR 644 Cb 1.07 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 3hxr h THR 644 CO 1.02 0.05 0.30 1.05 0.37 0.00 0.00 175.52 178.31 3hxr h GLU 645 N 0.00 0.89 0.14 6.66 4.11 -2.02 -2.95 114.58 121.41 3hxr h GLU 645 Ca -0.00 -0.13 -0.28 0.00 0.07 0.00 0.00 59.36 59.01 3hxr h GLU 645 Cb 0.15 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3hxr h GLU 645 CO 0.01 0.72 -1.31 0.82 0.07 0.00 0.00 179.01 179.31 3hxr h ILE 646 N 0.85 1.42 -0.66 -1.06 2.04 -0.27 -3.37 117.51 116.46 3hxr h ILE 646 Ca 0.21 -2.99 -0.12 0.00 1.00 0.00 0.00 64.86 62.96 3hxr h ILE 646 Cb 0.12 2.92 -0.07 0.00 -0.74 0.00 0.00 36.82 39.05 3hxr h ILE 646 CO -0.03 0.87 0.15 0.49 0.00 0.00 0.00 178.15 179.63 3hxr n PHE 647 N -3.53 2.28 -0.06 1.37 3.72 -0.18 -4.73 117.46 116.32 3hxr n PHE 647 Ca -0.11 -1.00 -0.10 0.00 -0.05 0.00 0.00 57.45 56.20 3hxr n PHE 647 Cb 1.03 -0.61 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 3hxr n PHE 647 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hxr h GLY 648 N 3.24 0.35 1.11 1.37 0.00 -1.69 0.35 103.07 107.80 3hxr h GLY 648 Ca 0.15 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 3hxr h GLY 648 CO 0.63 0.16 0.17 1.46 0.00 0.00 0.00 176.54 178.95 3hxr h GLN 649 N 0.26 1.10 -0.28 4.80 4.20 -1.91 0.21 115.11 123.50 3hxr h GLN 649 Ca 0.08 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 3hxr h GLN 649 Cb 0.08 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3hxr h GLN 649 CO -0.01 0.97 0.11 0.45 -0.67 0.00 0.00 178.83 179.68 3hxr h HIS 650 N 1.05 0.42 -0.52 2.96 3.86 -1.84 -2.25 115.15 118.83 3hxr h HIS 650 Ca 0.22 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 3hxr h HIS 650 Cb 0.37 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 3hxr h HIS 650 CO 0.03 0.42 -0.01 0.82 0.86 0.00 0.00 177.93 180.05 3hxr h ILE 651 N 0.30 1.25 -0.63 2.45 2.04 0.07 -0.79 117.51 122.21 3hxr h ILE 651 Ca 0.09 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 3hxr h ILE 651 Cb 0.18 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3hxr h ILE 651 CO -0.01 0.39 0.34 0.77 0.00 0.00 0.00 178.15 179.64 3hxr h SER 652 N 0.83 0.79 -0.55 1.72 4.64 -0.42 -0.95 113.55 119.60 3hxr h SER 652 Ca 0.15 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 3hxr h SER 652 Cb 0.51 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3hxr h SER 652 CO 0.03 0.66 -0.07 0.71 -0.87 0.00 0.00 176.83 177.29 3hxr h THR 653 N 0.85 1.27 -0.57 2.95 1.35 -1.13 -0.02 112.91 117.60 3hxr h THR 653 Ca 0.22 -1.23 -0.01 0.00 -0.55 0.00 0.00 66.41 64.85 3hxr h THR 653 Cb 0.05 0.91 -0.03 0.00 -1.73 0.00 0.00 68.15 67.35 3hxr h THR 653 CO -0.03 0.44 0.34 -0.07 -0.25 0.00 0.00 175.52 175.94 3hxr h LEU 654 N 0.93 0.69 -0.57 3.87 -0.00 -0.64 0.71 115.31 120.29 3hxr h LEU 654 Ca 0.15 -0.07 -0.09 0.00 -0.00 0.00 0.00 57.88 57.88 3hxr h LEU 654 Cb 0.63 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 3hxr h LEU 654 CO 0.04 0.56 0.02 -0.07 -0.00 0.00 0.00 178.44 179.00 3hxr h LEU 655 N 0.77 0.97 -0.32 1.67 3.38 -1.04 -0.46 115.31 120.27 3hxr h LEU 655 Ca 0.20 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3hxr h LEU 655 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3hxr h LEU 655 CO -0.04 1.03 0.03 -0.78 0.09 0.00 0.00 178.44 178.77 3hxr h ASP 656 N 0.88 0.53 -0.73 -0.43 1.82 -0.03 -2.20 116.42 116.26 3hxr h ASP 656 Ca 0.16 -0.28 -0.06 0.00 -0.39 0.00 0.00 57.03 56.46 3hxr h ASP 656 Cb 0.52 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 3hxr h ASP 656 CO 0.03 0.68 0.20 -0.07 -1.61 0.00 0.00 179.24 178.47 3hxr h LEU 657 N 0.37 1.08 -0.76 2.28 3.38 0.54 -1.86 115.31 120.34 3hxr h LEU 657 Ca 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3hxr h LEU 657 Cb 0.38 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3hxr h LEU 657 CO 0.01 1.02 0.42 -0.74 0.09 0.00 0.00 178.44 179.24 3hxr h HIS 658 N 1.09 1.04 -0.59 1.13 2.76 -0.99 0.17 115.15 119.77 3hxr h HIS 658 Ca 0.23 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.35 3hxr h HIS 658 Cb 0.34 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 3hxr h HIS 658 CO 0.03 0.73 0.27 -0.92 -1.30 0.00 0.00 177.93 176.74 3hxr h TYR 659 N 1.05 0.86 -0.55 5.26 5.03 -1.01 -0.33 116.97 127.29 3hxr h TYR 659 Ca 0.27 -0.05 -0.11 0.00 2.58 0.00 0.00 58.73 61.42 3hxr h TYR 659 Cb 0.03 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.02 3hxr h TYR 659 CO -0.00 0.67 -0.09 0.87 -1.32 0.00 0.00 178.16 178.29 3hxr h LYS 660 N 0.81 1.03 -0.68 1.82 1.57 -0.49 -2.62 116.57 118.00 3hxr h LYS 660 Ca 0.20 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 3hxr h LYS 660 Cb 0.14 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3hxr h LYS 660 CO -0.02 1.06 0.20 1.96 -0.57 0.00 0.00 179.45 182.08 3hxr h GLN 661 N 0.91 1.07 -0.79 3.15 4.20 -0.40 -2.46 115.11 120.78 3hxr h GLN 661 Ca 0.14 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 3hxr h GLN 661 Cb 0.66 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 3hxr h GLN 661 CO 0.05 0.94 0.34 0.35 -0.67 0.00 0.00 178.83 179.84 3hxr h PHE 662 N 1.01 1.18 -0.50 2.96 3.57 -0.98 -2.27 116.94 121.91 3hxr h PHE 662 Ca 0.22 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3hxr h PHE 662 Cb 0.32 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3hxr h PHE 662 CO 0.03 0.88 0.07 -0.07 -2.23 0.00 0.00 178.31 176.99 3hxr h LEU 663 N 1.14 0.80 -0.33 0.59 3.38 -1.14 -2.94 115.31 116.80 3hxr h LEU 663 Ca 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hxr h LEU 663 Cb 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hxr h LEU 663 CO -0.03 0.86 0.07 0.25 0.09 0.00 0.00 178.44 179.68 3hxr h LEU 664 N 0.70 0.51 -0.64 1.67 5.85 -1.16 -1.77 115.31 120.46 3hxr h LEU 664 Ca 0.15 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3hxr h LEU 664 Cb 0.41 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3hxr h LEU 664 CO 0.01 0.62 0.00 0.18 -0.34 0.00 0.00 178.44 178.91 3hxr n LEU 665 N -4.62 0.32 -0.04 2.25 4.77 -0.88 -0.75 117.00 118.05 3hxr n LEU 665 Ca -0.02 0.62 -0.21 0.00 -0.03 0.00 0.00 56.01 56.37 3hxr n LEU 665 Cb 0.20 -0.63 -0.13 0.00 -2.33 0.00 0.00 43.42 40.53 3hxr n LEU 665 CO 0.38 -0.64 -0.85 0.59 -1.33 0.00 0.00 177.39 175.54 3hxr n ASN 666 N -1.90 2.05 -0.34 -1.43 3.02 -0.85 -3.24 115.26 112.57 3hxr n ASN 666 Ca 0.00 0.22 -0.02 0.00 -0.03 0.00 0.00 54.58 54.75 3hxr n ASN 666 Cb 0.07 -0.83 0.11 0.00 -0.61 0.00 0.00 39.78 38.52 3hxr n ASN 666 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3hxr h LEU 667 N -0.20 1.03 -0.49 3.41 3.38 -0.58 -1.74 115.31 120.13 3hxr h LEU 667 Ca -0.44 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.59 3hxr h LEU 667 Cb 1.86 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.30 3hxr h LEU 667 CO -0.02 0.73 0.14 0.22 0.09 0.00 0.00 178.44 179.60 3hxr h TYR 668 N 1.21 0.23 -0.84 1.13 3.20 -1.08 -1.97 116.97 118.85 3hxr h TYR 668 Ca 0.35 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 3hxr h TYR 668 Cb -0.08 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 3hxr h TYR 668 CO -0.01 0.05 0.43 0.00 -1.64 0.00 0.00 178.16 176.99 3hxr h ARG 669 N 0.29 1.19 -5.23 1.82 2.47 -1.36 -3.32 114.38 110.24 3hxr h ARG 669 Ca 0.24 -0.16 -0.61 0.00 -1.26 0.00 0.00 59.98 58.19 3hxr h ARG 669 Cb 0.29 -0.22 -0.14 0.00 -1.65 0.00 0.00 29.97 28.24 3hxr h ARG 669 CO -0.28 0.90 -0.53 -0.65 0.56 0.00 0.00 179.97 179.97 3hxr s GLN 670 N -5.77 4.07 -1.07 0.04 -0.21 -0.72 -4.68 119.66 111.32 3hxr s GLN 670 Ca -0.13 -0.29 -0.19 0.00 0.02 0.00 0.00 55.36 54.78 3hxr s GLN 670 Cb 0.16 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.82 3hxr s GLN 670 CO 0.83 0.23 0.75 -3.47 -2.12 0.00 0.00 175.29 171.51 3hxr n ASP 671 N 3.70 -5.32 -0.08 5.90 4.64 -1.26 -4.65 116.55 119.47 3hxr n ASP 671 Ca -0.16 -0.97 0.09 0.00 -1.38 0.00 0.00 54.79 52.37 3hxr n ASP 671 Cb 0.52 -3.07 0.46 0.00 -1.04 0.00 0.00 41.12 37.99 3hxr n ASP 671 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3hxr h LYS 672 N -1.60 0.48 -0.56 -0.67 1.57 -1.73 -1.87 116.57 112.19 3hxr h LYS 672 Ca -0.61 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.13 3hxr h LYS 672 Cb 1.34 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 3hxr h LYS 672 CO 0.46 0.32 0.33 0.00 -0.57 0.00 0.00 179.45 179.99 3hxr h LEU 674 N 0.75 0.91 -1.03 0.00 5.85 -1.72 -2.78 115.31 117.30 3hxr h LEU 674 Ca 0.20 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3hxr h LEU 674 Cb -0.00 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 3hxr h LEU 674 CO -0.04 1.04 0.65 0.25 -0.34 0.00 0.00 178.44 180.00 3hxr h LEU 675 N 0.82 1.13 -0.68 2.25 6.46 -1.06 -1.84 115.31 122.40 3hxr h LEU 675 Ca 0.13 -0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.78 3hxr h LEU 675 Cb 0.65 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 3hxr h LEU 675 CO 0.04 0.82 0.11 0.00 -0.62 0.00 0.00 178.44 178.80 3hxr h ALA 676 N 1.38 0.90 -0.48 1.25 0.00 -1.04 -2.41 119.26 118.86 3hxr h ALA 676 Ca 0.36 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hxr h ALA 676 Cb -0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3hxr h ALA 676 CO -0.08 0.66 0.18 0.93 0.00 0.00 0.00 179.25 180.95 3hxr h GLU 677 N 1.04 0.73 -0.39 0.00 5.08 -1.15 -0.12 114.58 119.77 3hxr h GLU 677 Ca 0.21 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3hxr h GLU 677 Cb 0.44 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3hxr h GLU 677 CO 0.01 0.66 0.16 0.28 -1.00 0.00 0.00 179.01 179.12 3hxr h VAL 678 N 0.64 1.19 -0.51 3.13 2.07 -1.26 -0.75 116.25 120.76 3hxr h VAL 678 Ca 0.16 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 3hxr h VAL 678 Cb 0.21 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3hxr h VAL 678 CO -0.01 0.21 0.05 -0.07 0.02 0.00 0.00 177.57 177.78 3hxr h LEU 679 N 0.49 0.79 0.00 2.57 3.38 -1.26 -2.83 115.31 118.45 3hxr h LEU 679 Ca 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hxr h LEU 679 Cb 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hxr h LEU 679 CO -0.01 0.82 -0.17 -0.07 0.09 0.00 0.00 178.44 179.10 3hxr h LEU 680 N 0.78 0.00 0.00 1.67 -0.00 -0.83 -3.11 115.31 113.83 3hxr h LEU 680 Ca 0.16 -0.02 -0.20 0.00 -0.00 0.00 0.00 57.88 57.82 3hxr h LEU 680 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.02 3hxr h LEU 680 CO 0.01 0.01 -1.16 0.50 -0.00 0.00 0.00 178.44 177.80 3hxr h LYS 681 N 0.00 0.00 0.07 1.13 3.64 -0.98 -2.20 116.57 118.23 3hxr h LYS 681 Ca 0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 3hxr h LYS 681 Cb 0.91 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3hxr h LYS 681 CO 0.00 0.61 -1.11 -0.44 -2.27 0.00 0.00 179.45 176.24 3hxr h ASP 682 N 0.00 0.56 0.10 4.20 5.19 -1.55 -3.32 116.42 121.60 3hxr h ASP 682 Ca -0.11 -0.52 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 3hxr h ASP 682 Cb 1.71 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 41.04 3hxr h ASP 682 CO 0.09 1.35 -0.62 -1.54 -3.12 0.00 0.00 179.24 175.39 3hxr n SER 683 N -3.68 1.33 -4.68 6.45 3.41 -1.18 -4.94 113.62 110.33 3hxr n SER 683 Ca -0.09 -1.08 -0.35 0.00 -0.26 0.00 0.00 58.87 57.09 3hxr n SER 683 Cb 0.93 0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 65.37 3hxr n SER 683 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hxr s SER 684 N -2.73 5.97 0.21 4.04 0.15 -0.83 -4.93 113.70 115.58 3hxr s SER 684 Ca 0.15 0.16 -0.10 0.00 0.70 0.00 0.00 55.95 56.86 3hxr s SER 684 Cb 0.17 -2.04 0.15 0.00 -1.71 0.00 0.00 66.02 62.59 3hxr s SER 684 CO 0.68 0.17 1.85 -0.08 1.20 0.00 0.00 173.24 177.06 3hxr h GLU 685 N 6.76 1.01 -0.02 5.44 4.81 -1.88 -1.82 114.58 128.89 3hxr h GLU 685 Ca -0.39 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3hxr h GLU 685 Cb 1.16 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3hxr h GLU 685 CO 0.73 0.70 -0.30 1.19 -0.73 0.00 0.00 179.01 180.60 3hxr n PHE 686 N -4.52 0.00 -0.98 0.92 3.72 -1.26 -4.96 117.46 110.38 3hxr n PHE 686 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 3hxr n PHE 686 Cb 0.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3hxr n PHE 686 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hxr n SER 687 N 0.31 -2.14 -0.68 4.37 3.41 -0.68 -4.88 113.62 113.33 3hxr n SER 687 Ca 0.09 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.81 3hxr n SER 687 Cb 0.45 -0.60 0.05 0.00 -0.26 0.00 0.00 64.21 63.85 3hxr n SER 687 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hxr n PHE 688 N -2.59 0.00 0.00 7.33 0.99 -1.26 -4.01 117.46 117.92 3hxr n PHE 688 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3hxr n PHE 688 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 3hxr n PHE 688 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hxr n GLY 689 N 1.31 -3.75 4.00 1.37 0.00 -1.26 -4.51 105.19 102.35 3hxr n GLY 689 Ca 0.11 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.76 3hxr n GLY 689 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hxr s VAL 690 N -0.99 2.26 -0.14 1.61 1.01 -1.26 -0.34 120.40 122.54 3hxr s VAL 690 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3hxr s VAL 690 Cb 0.00 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 3hxr s VAL 690 CO 0.00 0.00 -0.11 -1.59 0.00 0.00 0.00 175.10 173.40 3hxr s LYS 691 N -4.96 3.40 -0.30 2.72 0.00 0.28 -4.69 119.74 116.19 3hxr s LYS 691 Ca 0.64 -0.67 -0.17 0.00 0.00 0.00 0.00 55.97 55.76 3hxr s LYS 691 Cb -0.06 -2.70 -0.02 0.00 0.00 0.00 0.00 37.83 35.05 3hxr s LYS 691 CO 0.42 0.15 0.48 -0.06 0.00 0.00 0.00 175.35 176.34 3hxr s PHE 692 N 0.52 3.22 0.00 1.78 0.08 -1.26 -4.79 117.98 117.53 3hxr s PHE 692 Ca -0.08 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.36 3hxr s PHE 692 Cb -0.15 -2.77 0.00 0.00 -0.57 0.00 0.00 43.02 39.52 3hxr s PHE 692 CO 0.04 -0.38 0.00 1.19 -0.10 0.00 0.00 175.22 175.97 3hxr n PHE 693 N 5.58 0.00 -4.40 0.36 3.72 -1.26 -4.82 117.46 116.65 3hxr n PHE 693 Ca -0.05 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.15 3hxr n PHE 693 Cb 0.50 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.90 3hxr n PHE 693 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3hxr s ASN 694 N -1.17 1.58 0.13 4.37 0.01 -1.26 -2.61 114.94 116.01 3hxr s ASN 694 Ca 0.00 -0.40 -0.19 0.00 -0.71 0.00 0.00 52.86 51.56 3hxr s ASN 694 Cb 0.00 -0.12 -0.01 0.00 0.41 0.00 0.00 41.25 41.54 3hxr s ASN 694 CO 0.00 0.06 1.72 1.88 -1.51 0.00 0.00 177.10 179.25 3hxr h TYR 695 N 5.15 -0.00 -0.21 2.20 0.05 -1.96 0.16 116.97 122.36 3hxr h TYR 695 Ca -0.37 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.49 3hxr h TYR 695 Cb 1.18 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 3hxr h TYR 695 CO 0.50 -0.03 0.20 0.78 -1.05 0.00 0.00 178.16 178.56 3hxr h GLY 696 N 0.08 0.00 1.62 3.88 0.00 -1.98 0.22 103.07 106.89 3hxr h GLY 696 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.23 3hxr h GLY 696 CO -0.18 0.00 -1.16 -1.61 0.00 0.00 0.00 176.54 173.58 3hxr h GLN 697 N 0.00 0.00 0.04 4.80 4.15 -1.49 -2.23 115.11 120.38 3hxr h GLN 697 Ca 0.10 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 3hxr h GLN 697 Cb 0.49 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.19 3hxr h GLN 697 CO -0.00 0.72 -0.34 1.25 -1.93 0.00 0.00 178.83 178.53 3hxr h LEU 698 N 0.00 0.23 -0.85 -2.39 5.85 0.97 -2.81 115.31 116.32 3hxr h LEU 698 Ca -0.10 -0.90 0.08 0.00 0.84 0.00 0.00 57.88 57.80 3hxr h LEU 698 Cb 1.77 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.66 3hxr h LEU 698 CO 0.10 1.11 0.51 0.40 -0.34 0.00 0.00 178.44 180.22 3hxr h ILE 699 N -0.62 0.98 -0.71 4.05 2.04 -0.77 -0.07 117.51 122.42 3hxr h ILE 699 Ca -0.05 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.57 3hxr h ILE 699 Cb 1.20 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 3hxr h ILE 699 CO 0.07 0.16 0.39 0.00 0.00 0.00 0.00 178.15 178.77 3hxr h ALA 700 N 1.43 0.97 -0.12 1.87 0.00 -1.46 -1.32 119.26 120.64 3hxr h ALA 700 Ca 0.39 0.02 -0.23 0.00 0.00 0.00 0.00 54.91 55.09 3hxr h ALA 700 Cb 0.26 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hxr h ALA 700 CO -0.21 0.06 -0.82 -0.92 0.00 0.00 0.00 179.25 177.36 3hxr h TYR 701 N 0.71 1.06 -0.56 0.00 3.20 -0.91 -2.13 116.97 118.34 3hxr h TYR 701 Ca 0.33 -0.49 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 3hxr h TYR 701 Cb 0.24 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3hxr h TYR 701 CO -0.08 1.33 0.34 0.82 -1.64 0.00 0.00 178.16 178.92 3hxr h ILE 702 N 0.50 1.16 -0.46 1.81 1.08 -0.94 -2.12 117.51 118.53 3hxr h ILE 702 Ca -0.07 -0.36 -0.13 0.00 -0.39 0.00 0.00 64.86 63.91 3hxr h ILE 702 Cb 1.46 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 3hxr h ILE 702 CO 0.17 0.17 -0.22 -0.78 -0.69 0.00 0.00 178.15 176.80 3hxr h ASP 703 N 0.78 0.97 -0.26 1.72 -0.00 -0.95 -0.27 116.42 118.40 3hxr h ASP 703 Ca 0.20 -0.37 -0.06 0.00 -0.00 0.00 0.00 57.03 56.81 3hxr h ASP 703 Cb -0.02 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.03 3hxr h ASP 703 CO -0.04 1.15 -0.06 0.77 -0.00 0.00 0.00 179.24 181.06 3hxr h SER 704 N 0.82 0.50 -0.68 2.28 4.64 -1.02 0.58 113.55 120.67 3hxr h SER 704 Ca 0.11 -0.36 0.12 0.00 -0.47 0.00 0.00 61.79 61.18 3hxr h SER 704 Cb 0.78 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.65 3hxr h SER 704 CO 0.07 0.75 0.25 -0.07 -0.87 0.00 0.00 176.83 176.96 3hxr h LEU 705 N 0.25 0.24 -0.11 5.97 4.07 -1.35 0.63 115.31 125.01 3hxr h LEU 705 Ca 0.07 0.10 0.03 0.00 0.08 0.00 0.00 57.88 58.15 3hxr h LEU 705 Cb 0.53 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.32 3hxr h LEU 705 CO 0.03 0.11 -0.07 -1.13 -1.08 0.00 0.00 178.44 176.30 3hxr h ASN 706 N 0.42 -0.23 -0.43 -0.43 -0.00 -0.26 -1.22 115.58 113.43 3hxr h ASN 706 Ca 0.36 0.05 0.05 0.00 -0.00 0.00 0.00 56.30 56.76 3hxr h ASN 706 Cb 0.50 0.12 -0.05 0.00 -0.00 0.00 0.00 38.32 38.89 3hxr h ASN 706 CO -0.36 -0.10 0.17 -1.28 -0.00 0.00 0.00 177.43 175.86 3hxr h SER 707 N -0.08 0.19 -0.64 1.15 0.87 0.89 -1.69 113.55 114.24 3hxr h SER 707 Ca 0.07 0.04 0.13 0.00 -1.23 0.00 0.00 61.79 60.80 3hxr h SER 707 Cb 0.18 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 3hxr h SER 707 CO -0.15 0.15 0.43 0.78 -0.53 0.00 0.00 176.83 177.51 3hxr h ASN 708 N 0.34 0.29 0.15 6.23 4.21 0.76 -2.05 115.58 125.52 3hxr h ASN 708 Ca 0.20 0.01 -0.22 0.00 1.21 0.00 0.00 56.30 57.50 3hxr h ASN 708 Cb 0.17 -0.05 0.02 0.00 -1.12 0.00 0.00 38.32 37.35 3hxr h ASN 708 CO -0.19 0.16 -1.00 0.58 -1.29 0.00 0.00 177.43 175.69 3hxr h VAL 709 N 0.32 1.41 0.00 2.81 2.07 -0.41 -3.10 116.25 119.35 3hxr h VAL 709 Ca 0.31 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.28 3hxr h VAL 709 Cb 0.76 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 3hxr h VAL 709 CO -0.08 0.73 0.00 -1.22 0.02 0.00 0.00 177.57 177.02 3hxr n TYR 710 N -4.04 0.47 0.74 1.57 4.01 -0.72 -2.78 117.16 116.41 3hxr n TYR 710 Ca -0.16 0.17 0.08 0.00 -0.16 0.00 0.00 57.90 57.83 3hxr n TYR 710 Cb 0.88 -0.77 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3hxr n TYR 710 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hxr n ASN 711 N -1.91 1.67 -4.72 7.72 4.13 -0.80 -5.00 115.26 116.34 3hxr n ASN 711 Ca 0.04 -1.33 -0.35 0.00 1.68 0.00 0.00 54.58 54.62 3hxr n ASN 711 Cb 0.25 0.46 0.09 0.00 -1.54 0.00 0.00 39.78 39.05 3hxr n ASN 711 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hxr s ALA 712 N -1.94 2.17 -0.64 5.41 0.00 -1.12 -4.92 121.76 120.72 3hxr s ALA 712 Ca 0.14 0.95 -0.23 0.00 0.00 0.00 0.00 51.96 52.82 3hxr s ALA 712 Cb 0.13 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.83 3hxr s ALA 712 CO 0.42 -1.82 0.98 -1.54 0.00 0.00 0.00 175.76 173.79 3hxr s SER 713 N -1.89 6.21 0.15 0.00 1.04 -1.26 -4.90 113.70 113.05 3hxr s SER 713 Ca 0.76 -0.80 -0.20 0.00 0.48 0.00 0.00 55.95 56.19 3hxr s SER 713 Cb -0.31 -2.43 0.04 0.00 0.10 0.00 0.00 66.02 63.42 3hxr s SER 713 CO 0.44 -1.41 1.66 0.40 0.98 0.00 0.00 173.24 175.30 3hxr h ILE 714 N 5.99 0.55 -1.42 -1.02 2.04 -1.97 -3.44 117.51 118.24 3hxr h ILE 714 Ca -0.28 0.00 -0.74 0.00 1.00 0.00 0.00 64.86 64.84 3hxr h ILE 714 Cb 1.07 0.55 0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3hxr h ILE 714 CO 1.16 0.00 0.44 0.35 0.00 0.00 0.00 178.15 180.11 3hxr n THR 715 N -5.32 0.05 -3.11 -0.27 -2.24 -1.26 -4.87 114.28 97.26 3hxr n THR 715 Ca -0.00 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 3hxr n THR 715 Cb 0.23 -0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.76 3hxr n THR 715 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3hxr s GLU 716 N 1.07 4.15 0.01 -0.78 -1.05 -1.26 -4.99 118.70 115.85 3hxr s GLU 716 Ca 0.90 0.58 -0.23 0.00 -0.15 0.00 0.00 54.97 56.07 3hxr s GLU 716 Cb -1.10 -3.62 -0.12 0.00 -0.44 0.00 0.00 34.13 28.84 3hxr s GLU 716 CO 0.56 -0.34 1.07 -2.95 0.95 0.00 0.00 175.26 174.54 3hxr h ASN 717 N 7.73 -0.69 -0.94 0.83 -1.07 -1.95 -3.46 115.58 116.03 3hxr h ASN 717 Ca -0.29 0.02 -0.57 0.00 0.07 0.00 0.00 56.30 55.54 3hxr h ASN 717 Cb 1.13 0.18 -0.06 0.00 -2.07 0.00 0.00 38.32 37.50 3hxr h ASN 717 CO 0.77 -0.38 -0.37 -0.94 0.07 0.00 0.00 177.43 176.59 3hxr s SER 718 N -4.02 4.64 0.52 6.14 1.04 -1.26 -4.99 113.70 115.77 3hxr s SER 718 Ca -0.12 -1.14 0.28 0.00 0.48 0.00 0.00 55.95 55.45 3hxr s SER 718 Cb 0.01 0.06 1.41 0.00 0.10 0.00 0.00 66.02 67.60 3hxr s SER 718 CO 0.36 -0.89 2.04 2.19 0.98 0.00 0.00 173.24 177.91 3hxr h PHE 719 N 0.97 0.00 0.00 5.02 -5.15 -2.06 -2.92 116.94 112.80 3hxr h PHE 719 Ca -0.39 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.38 3hxr h PHE 719 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.46 3hxr h PHE 719 CO 0.85 0.12 0.00 1.19 -2.00 0.00 0.00 178.31 178.47 3hxr n PHE 720 N -3.53 0.00 0.00 6.09 3.72 -1.26 -0.89 117.46 121.59 3hxr n PHE 720 Ca -0.01 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3hxr n PHE 720 Cb 0.26 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 3hxr n PHE 720 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3hxr n THR 722 N 0.79 0.00 -0.18 4.37 5.66 -1.11 -1.79 114.28 122.03 3hxr n THR 722 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 3hxr n THR 722 Cb 0.01 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.80 3hxr n THR 722 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 3hxr h PHE 723 N 0.00 0.75 -0.68 1.09 3.04 -1.31 -1.52 116.94 118.32 3hxr h PHE 723 Ca 0.00 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 3hxr h PHE 723 Cb 0.00 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.25 3hxr h PHE 723 CO 0.00 0.61 0.39 0.74 -2.02 0.00 0.00 178.31 178.04 3hxr h PHE 724 N 0.68 0.91 -0.48 0.41 0.04 -1.61 -0.04 116.94 116.85 3hxr h PHE 724 Ca 0.17 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.87 3hxr h PHE 724 Cb 0.16 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3hxr h PHE 724 CO -0.00 0.63 0.07 -0.09 -0.60 0.00 0.00 178.31 178.32 3hxr h ARG 725 N 0.92 0.79 -0.66 1.51 1.12 -1.80 -2.94 114.38 113.33 3hxr h ARG 725 Ca 0.24 -0.22 -0.05 0.00 -1.11 0.00 0.00 59.98 58.84 3hxr h ARG 725 Cb -0.00 -0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 29.84 3hxr h ARG 725 CO -0.04 0.80 0.20 0.77 -3.11 0.00 0.00 179.97 178.59 3hxr h SER 726 N 0.66 0.94 -0.16 -3.80 0.02 -0.71 -2.00 113.55 108.51 3hxr h SER 726 Ca 0.14 -0.17 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 3hxr h SER 726 Cb 0.40 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3hxr h SER 726 CO 0.01 0.88 0.15 0.22 -1.14 0.00 0.00 176.83 176.95 3hxr h TYR 727 N 0.98 0.00 0.06 3.45 5.03 -0.83 -1.55 116.97 124.10 3hxr h TYR 727 Ca 0.22 0.00 -0.34 0.00 2.58 0.00 0.00 58.73 61.19 3hxr h TYR 727 Cb 0.28 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.52 3hxr h TYR 727 CO 0.02 0.00 -1.92 -0.89 -1.32 0.00 0.00 178.16 174.05 3hxr n ILE 728 N -4.05 1.68 0.31 1.81 5.41 -0.91 -4.02 119.36 119.57 3hxr n ILE 728 Ca 0.01 -0.72 0.12 0.00 1.00 0.00 0.00 62.75 63.15 3hxr n ILE 728 Cb 0.27 -1.36 0.54 0.00 -0.71 0.00 0.00 39.64 38.39 3hxr n ILE 728 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3hxr n ILE 729 N -3.25 0.89 0.00 1.39 -0.00 -0.66 -5.14 119.36 112.60 3hxr n ILE 729 Ca -0.26 0.42 0.00 0.00 -0.00 0.00 0.00 62.75 62.91 3hxr n ILE 729 Cb 1.05 -1.38 0.00 0.00 -0.00 0.00 0.00 39.64 39.31 3hxr n ILE 729 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71