#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw n ARG 12 N 0.00 0.21 -4.39 1.97 0.63 -1.26 -5.05 116.66 108.77 3huw n ARG 12 Ca 0.00 0.13 -0.22 0.00 -0.92 0.00 0.00 57.85 56.84 3huw n ARG 12 Cb 0.00 -2.09 -0.16 0.00 0.45 0.00 0.00 32.46 30.65 3huw n ARG 12 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3huw s GLN 13 N -3.42 1.21 0.09 -0.14 -1.52 -1.26 -4.97 119.66 109.64 3huw s GLN 13 Ca 0.68 -0.27 0.08 0.00 -1.95 0.00 0.00 55.36 53.89 3huw s GLN 13 Cb -0.31 -1.08 -0.03 0.00 -0.22 0.00 0.00 33.01 31.37 3huw s GLN 13 CO 0.56 0.01 -0.21 0.14 -0.25 0.00 0.00 175.29 175.54 3huw s VAL 14 N 0.64 1.68 0.00 1.09 -7.23 -1.18 -5.07 120.40 110.33 3huw s VAL 14 Ca -0.11 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 3huw s VAL 14 Cb -0.14 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.29 3huw s VAL 14 CO 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.81 3huw n ALA 15 N 1.29 0.00 -2.39 1.32 0.00 -1.26 -3.81 120.51 115.66 3huw n ALA 15 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.00 3huw n ALA 15 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3huw n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3huw s SER 16 N -1.98 6.11 0.00 0.00 0.15 -1.26 -1.62 113.70 115.11 3huw s SER 16 Ca 0.00 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3huw s SER 16 Cb 0.00 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 3huw s SER 16 CO 0.00 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.49 3huw n GLY 17 N -2.11 5.44 3.42 9.45 0.00 -1.13 -4.19 105.19 116.09 3huw n GLY 17 Ca -0.01 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 44.91 3huw n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3huw s ARG 18 N 2.28 0.31 -0.17 1.61 3.52 0.22 -3.66 118.95 123.06 3huw s ARG 18 Ca 0.00 0.76 -0.09 0.00 -0.13 0.00 0.00 55.73 56.28 3huw s ARG 18 Cb 0.00 0.45 -0.05 0.00 -1.56 0.00 0.00 34.95 33.79 3huw s ARG 18 CO 0.00 -0.10 0.13 0.00 -0.81 0.00 0.00 175.30 174.52 3huw s ALA 19 N 2.42 3.76 -0.08 6.12 0.00 0.48 0.11 121.76 134.57 3huw s ALA 19 Ca -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3huw s ALA 19 Cb -0.06 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 3huw s ALA 19 CO -0.17 0.35 -0.15 0.71 0.00 0.00 0.00 175.76 176.50 3huw s TYR 20 N -0.21 2.72 -0.28 0.00 1.51 -0.50 -1.19 117.35 119.39 3huw s TYR 20 Ca 0.11 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 3huw s TYR 20 Cb -0.11 -1.71 0.05 0.00 -0.11 0.00 0.00 41.96 40.08 3huw s TYR 20 CO 0.00 -0.00 -0.04 0.42 -1.11 0.00 0.00 175.55 174.82 3huw s ILE 21 N -0.27 2.64 -0.95 2.71 1.09 0.64 -0.46 121.20 126.60 3huw s ILE 21 Ca 0.02 -1.51 -0.12 0.00 -1.10 0.00 0.00 60.65 57.94 3huw s ILE 21 Cb -0.13 -2.54 0.24 0.00 -1.06 0.00 0.00 42.46 38.98 3huw s ILE 21 CO 0.03 -0.08 0.92 -2.28 -0.10 0.00 0.00 174.94 173.42 3huw s HIS 22 N 1.18 3.97 -0.39 3.97 2.46 0.26 0.43 115.29 127.18 3huw s HIS 22 Ca -0.07 -2.28 -0.21 0.00 0.47 0.00 0.00 55.06 52.97 3huw s HIS 22 Cb -0.20 -3.84 0.01 0.00 -0.13 0.00 0.00 32.58 28.43 3huw s HIS 22 CO -0.03 -0.98 0.67 0.00 -2.47 0.00 0.00 174.74 171.93 3huw s ALA 23 N -0.40 3.41 0.17 1.58 0.00 -0.54 -1.70 121.76 124.28 3huw s ALA 23 Ca 0.24 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3huw s ALA 23 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3huw s ALA 23 CO -0.09 -1.53 0.00 0.45 0.00 0.00 0.00 175.76 174.60 3huw n SER 24 N 6.21 0.00 -0.04 0.00 2.88 0.26 -2.59 113.62 120.35 3huw n SER 24 Ca -0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 3huw n SER 24 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 3huw n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3huw n TYR 25 N 0.00 0.00 -0.03 0.66 4.02 -1.26 -3.03 117.16 117.52 3huw n TYR 25 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3huw n TYR 25 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3huw n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3huw n ASN 26 N -0.94 0.45 -3.61 7.72 3.02 -1.26 -4.74 115.26 115.91 3huw n ASN 26 Ca 0.02 -0.73 -0.03 0.00 -0.03 0.00 0.00 54.58 53.81 3huw n ASN 26 Cb 0.11 0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 39.76 3huw n ASN 26 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3huw s ASN 27 N -0.49 -0.11 -0.07 6.41 2.47 -1.26 -2.01 114.94 119.87 3huw s ASN 27 Ca 0.00 -0.01 -0.00 0.00 0.42 0.00 0.00 52.86 53.26 3huw s ASN 27 Cb 0.00 0.12 0.02 0.00 -1.45 0.00 0.00 41.25 39.95 3huw s ASN 27 CO 0.00 -0.20 -0.04 -0.89 -3.72 0.00 0.00 177.10 172.25 3huw s THR 28 N -2.35 0.62 -0.13 -5.21 2.01 -1.25 -0.57 115.64 108.75 3huw s THR 28 Ca 0.10 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.06 3huw s THR 28 Cb -0.00 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.82 3huw s THR 28 CO -0.04 0.28 -0.21 -0.51 -0.69 0.00 0.00 174.62 173.45 3huw s ILE 29 N 1.57 2.21 0.02 1.82 1.10 -0.69 -2.98 121.20 124.26 3huw s ILE 29 Ca -0.00 -0.94 0.04 0.00 -0.51 0.00 0.00 60.65 59.23 3huw s ILE 29 Cb -0.13 -1.88 -0.03 0.00 0.15 0.00 0.00 42.46 40.56 3huw s ILE 29 CO -0.04 0.55 -0.06 0.68 -2.11 0.00 0.00 174.94 173.96 3huw s VAL 30 N 0.64 3.70 -0.26 4.00 -7.23 -0.55 -0.57 120.40 120.13 3huw s VAL 30 Ca -0.11 -0.82 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 3huw s VAL 30 Cb -0.16 -2.64 0.14 0.00 0.56 0.00 0.00 36.38 34.29 3huw s VAL 30 CO 0.02 0.34 0.40 0.28 -0.31 0.00 0.00 175.10 175.83 3huw s THR 31 N -1.05 -0.64 0.06 5.32 -1.32 0.39 -0.89 115.64 117.51 3huw s THR 31 Ca 0.18 -0.12 -0.24 0.00 -1.21 0.00 0.00 61.69 60.30 3huw s THR 31 Cb -0.11 -0.87 -0.06 0.00 -1.51 0.00 0.00 72.50 69.95 3huw s THR 31 CO 0.09 -0.16 0.72 0.27 -2.21 0.00 0.00 174.62 173.34 3huw s ILE 32 N 2.57 4.71 0.23 5.08 -0.00 -1.22 -1.41 121.20 131.16 3huw s ILE 32 Ca 0.13 1.54 0.01 0.00 -0.00 0.00 0.00 60.65 62.32 3huw s ILE 32 Cb -0.15 -4.07 -0.05 0.00 -0.00 0.00 0.00 42.46 38.20 3huw s ILE 32 CO -0.20 0.41 0.07 0.42 -0.00 0.00 0.00 174.94 175.64 3huw s THR 33 N -0.32 0.57 0.96 8.37 -4.23 0.31 -1.71 115.64 119.58 3huw s THR 33 Ca 0.36 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.74 3huw s THR 33 Cb -0.20 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.34 3huw s THR 33 CO 0.22 -0.15 1.14 1.51 -0.54 0.00 0.00 174.62 176.80 3huw s ASP 34 N -3.26 3.09 0.45 3.99 3.84 -0.75 0.69 116.67 124.73 3huw s ASP 34 Ca 0.33 0.91 0.31 0.00 -0.00 0.00 0.00 52.55 54.10 3huw s ASP 34 Cb 0.07 -1.42 1.42 0.00 -1.38 0.00 0.00 42.92 41.61 3huw s ASP 34 CO 0.10 -2.81 1.66 -0.65 -0.00 0.00 0.00 175.17 173.48 3huw h PRO 35 N -1.67 0.12 0.02 2.11 0.11 -1.79 -1.45 132.00 129.44 3huw h PRO 35 Ca -0.50 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3huw h PRO 35 Cb 1.32 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3huw h PRO 35 CO 0.57 0.08 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.99 3huw h ASP 36 N 0.12 -0.03 0.00 -2.05 3.45 -1.96 -3.49 116.42 112.46 3huw h ASP 36 Ca 0.77 -0.64 0.00 0.00 0.43 0.00 0.00 57.03 57.59 3huw h ASP 36 Cb 2.49 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 41.27 3huw h ASP 36 CO -0.32 0.65 0.00 0.61 -1.57 0.00 0.00 179.24 178.61 3huw n GLY 37 N 0.79 0.46 3.68 2.75 0.00 -0.55 -5.12 105.19 107.20 3huw n GLY 37 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3huw n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3huw s ASN 38 N 0.00 6.63 0.30 1.61 0.02 -1.26 -4.68 114.94 117.56 3huw s ASN 38 Ca 0.00 2.42 -0.30 0.00 -1.02 0.00 0.00 52.86 53.96 3huw s ASN 38 Cb 0.00 -2.55 -0.11 0.00 0.02 0.00 0.00 41.25 38.60 3huw s ASN 38 CO 0.00 -0.89 1.59 -2.84 0.02 0.00 0.00 177.10 174.98 3huw s PRO 39 N 3.01 4.11 -0.22 -0.60 0.02 -1.26 -1.81 135.00 138.25 3huw s PRO 39 Ca 0.74 2.59 -0.17 0.00 0.02 0.00 0.00 61.00 64.18 3huw s PRO 39 Cb -0.38 -3.02 -0.13 0.00 0.02 0.00 0.00 34.50 30.99 3huw s PRO 39 CO 0.32 -0.64 -0.09 -0.89 -0.33 0.00 0.00 177.00 175.37 3huw n ILE 40 N 2.08 1.52 -3.89 2.83 2.08 -0.69 -4.89 119.36 118.39 3huw n ILE 40 Ca 0.08 -0.11 -0.04 0.00 0.56 0.00 0.00 62.75 63.24 3huw n ILE 40 Cb 0.37 -2.06 -0.01 0.00 -0.75 0.00 0.00 39.64 37.19 3huw n ILE 40 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 3huw n THR 41 N -4.39 0.00 -3.61 1.39 -1.04 -1.16 -5.06 114.28 100.42 3huw n THR 41 Ca -0.35 -0.53 -0.00 0.00 -2.04 0.00 0.00 64.05 61.13 3huw n THR 41 Cb 0.69 0.29 -0.01 0.00 -1.82 0.00 0.00 70.33 69.47 3huw n THR 41 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 3huw s TRP 42 N -3.36 -0.03 -0.25 -1.42 1.48 -1.26 -3.37 118.94 110.73 3huw s TRP 42 Ca 0.09 0.00 -0.27 0.00 -1.06 0.00 0.00 56.10 54.86 3huw s TRP 42 Cb 0.00 0.51 0.15 0.00 -1.16 0.00 0.00 33.47 32.97 3huw s TRP 42 CO 0.06 -0.09 1.15 0.45 -4.06 0.00 0.00 176.95 174.46 3huw s SER 43 N -2.50 -0.28 0.19 -2.66 0.15 -0.06 -4.81 113.70 103.73 3huw s SER 43 Ca 0.13 0.45 -0.00 0.00 0.70 0.00 0.00 55.95 57.22 3huw s SER 43 Cb 0.03 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 3huw s SER 43 CO -0.04 -0.17 0.08 -0.94 1.20 0.00 0.00 173.24 173.38 3huw s SER 44 N -0.40 0.56 0.00 5.45 1.04 -1.26 -1.48 113.70 117.61 3huw s SER 44 Ca 0.03 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.16 3huw s SER 44 Cb -0.03 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3huw s SER 44 CO -0.06 -0.75 0.64 0.61 0.98 0.00 0.00 173.24 174.66 3huw n GLY 45 N -0.26 -0.20 0.09 7.32 0.00 -1.16 0.18 105.19 111.16 3huw n GLY 45 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 3huw n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huw n GLY 46 N -1.14 -1.02 0.00 -0.02 0.00 -1.26 -3.61 105.19 98.14 3huw n GLY 46 Ca 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.88 3huw n GLY 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3huw n VAL 47 N -2.78 0.00 -3.24 1.61 0.31 0.47 -4.56 118.33 110.14 3huw n VAL 47 Ca -0.24 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.87 3huw n VAL 47 Cb 1.04 -0.56 0.05 0.00 -0.91 0.00 0.00 33.84 33.47 3huw n VAL 47 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3huw s ILE 48 N -2.00 1.89 -0.11 2.52 -1.09 -1.04 -4.90 121.20 116.48 3huw s ILE 48 Ca 0.39 -1.11 0.30 0.00 -2.23 0.00 0.00 60.65 57.99 3huw s ILE 48 Cb 0.18 -2.01 0.33 0.00 -1.58 0.00 0.00 42.46 39.38 3huw s ILE 48 CO 0.30 0.00 1.89 1.23 -1.23 0.00 0.00 174.94 177.13 3huw h GLY 49 N 0.24 0.00 -1.11 6.18 0.00 -1.81 -3.46 103.07 103.12 3huw h GLY 49 Ca -0.30 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.57 3huw h GLY 49 CO 0.44 0.00 0.10 -0.19 0.00 0.00 0.00 176.54 176.88 3huw s TYR 50 N -3.56 1.59 0.00 5.60 1.51 -1.24 -5.04 117.35 116.21 3huw s TYR 50 Ca 0.02 1.28 0.00 0.00 -1.01 0.00 0.00 57.07 57.36 3huw s TYR 50 Cb 0.09 -3.17 0.00 0.00 -0.11 0.00 0.00 41.96 38.78 3huw s TYR 50 CO 0.46 -3.41 0.00 0.36 -1.11 0.00 0.00 175.55 171.85 3huw n LYS 51 N -4.60 0.00 0.00 -0.62 0.00 -1.26 -4.42 118.16 107.26 3huw n LYS 51 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 3huw n LYS 51 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.57 3huw n LYS 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3huw n GLY 52 N 0.00 0.48 0.26 2.58 0.00 -1.26 -4.64 105.19 102.61 3huw n GLY 52 Ca 0.00 -0.95 0.11 0.00 0.00 0.00 0.00 46.02 45.18 3huw n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3huw n SER 53 N 0.00 1.46 -0.03 1.61 3.41 -1.26 -3.85 113.62 114.96 3huw n SER 53 Ca 0.00 -1.19 -0.07 0.00 -0.26 0.00 0.00 58.87 57.35 3huw n SER 53 Cb 0.00 0.64 0.11 0.00 -0.26 0.00 0.00 64.21 64.70 3huw n SER 53 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3huw h ARG 54 N 1.25 0.62 -0.30 4.33 3.08 -1.88 -3.01 114.38 118.47 3huw h ARG 54 Ca 0.00 -0.28 0.06 0.00 0.07 0.00 0.00 59.98 59.82 3huw h ARG 54 Cb 0.62 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 3huw h ARG 54 CO 0.00 0.87 -0.05 0.87 -1.07 0.00 0.00 179.97 180.59 3huw h LYS 55 N 0.52 0.03 0.00 0.04 1.57 -1.77 0.13 116.57 117.09 3huw h LYS 55 Ca 0.06 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3huw h LYS 55 Cb 0.83 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3huw h LYS 55 CO 0.07 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.38 3huw n GLY 56 N -1.24 -0.54 3.78 3.86 0.00 -0.85 -3.97 105.19 106.23 3huw n GLY 56 Ca -0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3huw n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3huw s THR 57 N -2.74 3.63 0.07 2.61 2.01 0.46 -3.86 115.64 117.82 3huw s THR 57 Ca 0.04 1.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.96 3huw s THR 57 Cb 0.03 -3.62 -0.15 0.00 0.01 0.00 0.00 72.50 68.77 3huw s THR 57 CO 0.08 -0.01 1.48 1.55 -0.69 0.00 0.00 174.62 177.03 3huw h PRO 58 N 2.36 -0.89 -1.01 4.92 0.13 -1.47 -1.93 132.00 134.11 3huw h PRO 58 Ca -0.49 0.06 0.23 0.00 -0.87 0.00 0.00 66.00 64.94 3huw h PRO 58 Cb 1.22 0.20 -0.11 0.00 0.13 0.00 0.00 31.00 32.44 3huw h PRO 58 CO 0.62 -0.60 0.61 -0.92 -0.23 0.00 0.00 178.00 177.48 3huw h TYR 59 N -0.93 0.97 -0.83 1.56 3.20 -1.92 1.57 116.97 120.60 3huw h TYR 59 Ca -0.07 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.90 3huw h TYR 59 Cb 0.78 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 3huw h TYR 59 CO -0.18 0.11 0.54 0.00 -1.64 0.00 0.00 178.16 177.00 3huw h ALA 60 N 1.69 1.60 -0.02 1.82 0.00 -1.71 0.43 119.26 123.07 3huw h ALA 60 Ca 0.62 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.49 3huw h ALA 60 Cb 1.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3huw h ALA 60 CO -0.42 0.28 -0.04 0.00 0.00 0.00 0.00 179.25 179.06 3huw h ALA 61 N 1.55 0.04 -0.56 0.00 0.00 0.29 -2.82 119.26 117.76 3huw h ALA 61 Ca 0.36 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3huw h ALA 61 Cb 0.23 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 3huw h ALA 61 CO -0.13 -0.15 -0.35 0.37 0.00 0.00 0.00 179.25 178.99 3huw h GLN 62 N -0.47 -0.18 -0.59 0.00 4.15 0.08 0.37 115.11 118.47 3huw h GLN 62 Ca 0.00 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.53 3huw h GLN 62 Cb 0.61 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.27 3huw h GLN 62 CO 0.01 -0.12 0.21 -0.07 -1.93 0.00 0.00 178.83 176.93 3huw h LEU 63 N -0.19 0.20 0.44 -2.39 3.38 -0.98 0.11 115.31 115.89 3huw h LEU 63 Ca 0.21 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3huw h LEU 63 Cb 0.55 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3huw h LEU 63 CO -0.66 0.12 -0.21 0.00 0.09 0.00 0.00 178.44 177.78 3huw h ALA 64 N 1.41 -0.59 -0.51 1.53 0.00 -0.79 0.37 119.26 120.68 3huw h ALA 64 Ca 0.30 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3huw h ALA 64 Cb 0.37 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 3huw h ALA 64 CO -0.30 -0.70 -0.53 0.00 0.00 0.00 0.00 179.25 177.71 3huw h ALA 65 N -0.45 -0.64 0.04 0.00 0.00 -0.10 0.50 119.26 118.61 3huw h ALA 65 Ca -0.06 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3huw h ALA 65 Cb 0.56 1.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 3huw h ALA 65 CO 0.10 -0.99 -0.34 -0.07 0.00 0.00 0.00 179.25 177.95 3huw h LEU 66 N -0.32 -1.02 -0.63 0.00 3.38 -0.95 -0.82 115.31 114.95 3huw h LEU 66 Ca 0.11 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.31 3huw h LEU 66 Cb 0.57 0.40 -0.12 0.00 0.09 0.00 0.00 40.66 41.61 3huw h LEU 66 CO -0.65 -0.41 -0.37 -0.78 0.09 0.00 0.00 178.44 176.32 3huw h ASP 67 N -0.52 -1.29 -0.82 -0.43 -0.00 0.12 0.58 116.42 114.06 3huw h ASP 67 Ca 0.05 0.24 0.11 0.00 -0.00 0.00 0.00 57.03 57.43 3huw h ASP 67 Cb 0.59 0.63 -0.08 0.00 -0.00 0.00 0.00 39.33 40.47 3huw h ASP 67 CO -0.25 -0.31 0.45 0.00 -0.00 0.00 0.00 179.24 179.12 3huw h ALA 68 N 0.92 1.18 0.49 -0.78 0.00 0.69 -2.28 119.26 119.48 3huw h ALA 68 Ca 0.23 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3huw h ALA 68 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3huw h ALA 68 CO -0.72 0.04 -0.44 0.00 0.00 0.00 0.00 179.25 178.13 3huw h ALA 69 N 1.48 -1.13 -0.99 0.00 0.00 0.50 -2.01 119.26 117.10 3huw h ALA 69 Ca 0.41 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.24 3huw h ALA 69 Cb 0.43 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 3huw h ALA 69 CO -0.28 -1.14 -0.53 1.17 0.00 0.00 0.00 179.25 178.47 3huw n LYS 70 N -5.11 -0.38 -0.27 0.00 4.81 -0.72 0.68 118.16 117.16 3huw n LYS 70 Ca -0.11 1.50 0.16 0.00 -0.87 0.00 0.00 58.31 58.99 3huw n LYS 70 Cb 0.41 -2.21 0.45 0.00 0.02 0.00 0.00 35.03 33.69 3huw n LYS 70 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3huw h LYS 71 N 0.00 0.52 0.00 1.64 1.57 -1.26 -0.19 116.57 118.86 3huw h LYS 71 Ca 0.21 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.72 3huw h LYS 71 Cb 0.45 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3huw h LYS 71 CO -0.94 0.35 -1.17 0.00 -0.57 0.00 0.00 179.45 177.11 3huw h ALA 72 N 1.61 0.45 0.00 3.86 0.00 0.76 -3.23 119.26 122.71 3huw h ALA 72 Ca 0.48 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3huw h ALA 72 Cb 1.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3huw h ALA 72 CO -0.22 1.33 0.00 -1.33 0.00 0.00 0.00 179.25 179.03 3huw n MET 73 N -3.28 0.74 0.10 0.00 2.81 0.21 -1.38 117.12 116.32 3huw n MET 73 Ca -0.04 0.01 0.12 0.00 -1.81 0.00 0.00 57.70 55.98 3huw n MET 73 Cb 0.97 -1.50 0.10 0.00 -0.71 0.00 0.00 33.22 32.08 3huw n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3huw h ALA 74 N 3.57 0.62 -0.60 3.04 0.00 -1.40 -3.26 119.26 121.22 3huw h ALA 74 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3huw h ALA 74 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3huw h ALA 74 CO 0.00 0.00 0.12 0.66 0.00 0.00 0.00 179.25 180.03 3huw n TYR 75 N -2.51 2.07 -1.13 0.00 4.02 -0.48 -4.89 117.16 114.23 3huw n TYR 75 Ca 0.02 -0.86 -0.05 0.00 -0.01 0.00 0.00 57.90 57.00 3huw n TYR 75 Cb 0.50 -0.56 -0.02 0.00 -0.02 0.00 0.00 39.34 39.25 3huw n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3huw n GLY 76 N 0.26 0.54 3.59 2.72 0.00 -1.23 -3.13 105.19 107.94 3huw n GLY 76 Ca 0.31 -0.06 -0.48 0.00 0.00 0.00 0.00 46.02 45.78 3huw n GLY 76 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3huw n MET 77 N -0.57 1.74 0.00 1.61 0.00 -0.99 -4.67 117.12 114.23 3huw n MET 77 Ca -0.05 0.56 0.00 0.00 0.00 0.00 0.00 57.70 58.22 3huw n MET 77 Cb 0.44 -2.69 0.00 0.00 0.00 0.00 0.00 33.22 30.97 3huw n MET 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3huw n GLN 78 N 7.56 0.00 -2.51 2.12 1.13 -0.64 -4.58 117.38 120.46 3huw n GLN 78 Ca 0.30 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 55.12 3huw n GLN 78 Cb 0.30 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.69 3huw n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3huw s SER 79 N -1.00 5.34 -0.04 1.08 1.04 -1.26 -3.28 113.70 115.58 3huw s SER 79 Ca 0.00 0.39 -0.11 0.00 0.48 0.00 0.00 55.95 56.71 3huw s SER 79 Cb 0.00 -1.30 0.02 0.00 0.10 0.00 0.00 66.02 64.84 3huw s SER 79 CO 0.00 -1.17 0.26 0.68 0.98 0.00 0.00 173.24 173.99 3huw s VAL 80 N -2.93 0.04 -0.14 5.02 -7.23 0.40 -2.81 120.40 112.75 3huw s VAL 80 Ca 0.55 -0.34 -0.05 0.00 -1.81 0.00 0.00 61.98 60.33 3huw s VAL 80 Cb -0.10 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 3huw s VAL 80 CO 0.42 -0.19 0.05 -1.81 -0.31 0.00 0.00 175.10 173.26 3huw s ASP 81 N -0.76 5.57 -0.03 4.85 1.11 -1.24 -1.40 116.67 124.76 3huw s ASP 81 Ca -0.09 0.14 -0.00 0.00 0.18 0.00 0.00 52.55 52.78 3huw s ASP 81 Cb -0.04 -1.83 -0.04 0.00 1.07 0.00 0.00 42.92 42.08 3huw s ASP 81 CO 0.02 0.27 0.04 -0.69 1.18 0.00 0.00 175.17 175.99 3huw s VAL 82 N -0.20 4.49 -0.04 -1.27 1.01 0.25 0.18 120.40 124.81 3huw s VAL 82 Ca 0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 3huw s VAL 82 Cb -0.12 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.29 3huw s VAL 82 CO 0.02 0.43 0.10 -0.63 0.00 0.00 0.00 175.10 175.01 3huw s ILE 83 N -1.08 -0.03 0.03 2.22 1.01 -0.34 -1.16 121.20 121.85 3huw s ILE 83 Ca 0.19 0.12 0.06 0.00 0.00 0.00 0.00 60.65 61.02 3huw s ILE 83 Cb -0.12 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.17 3huw s ILE 83 CO 0.10 0.05 -0.17 0.68 0.00 0.00 0.00 174.94 175.60 3huw s VAL 84 N 0.74 1.32 -0.05 2.92 -7.23 -0.50 0.23 120.40 117.85 3huw s VAL 84 Ca -0.06 -1.00 -0.02 0.00 -1.81 0.00 0.00 61.98 59.10 3huw s VAL 84 Cb -0.08 -1.16 0.03 0.00 0.56 0.00 0.00 36.38 35.73 3huw s VAL 84 CO -0.03 0.14 0.04 -0.13 -0.31 0.00 0.00 175.10 174.81 3huw s ARG 85 N -1.00 0.11 0.00 4.82 0.52 0.17 -1.53 118.95 122.03 3huw s ARG 85 Ca 0.04 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 3huw s ARG 85 Cb -0.08 -0.60 0.00 0.00 0.52 0.00 0.00 34.95 34.79 3huw s ARG 85 CO 0.01 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.44 3huw n GLY 86 N 5.13 1.25 2.71 -3.53 0.00 -1.25 -1.47 105.19 108.03 3huw n GLY 86 Ca -0.07 -2.29 -0.25 0.00 0.00 0.00 0.00 46.02 43.42 3huw n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3huw n THR 87 N -0.99 2.20 -2.11 2.61 -1.04 -1.07 -4.84 114.28 109.04 3huw n THR 87 Ca 0.00 -5.29 -0.40 0.00 -2.04 0.00 0.00 64.05 56.31 3huw n THR 87 Cb 0.00 -1.21 -0.02 0.00 -1.82 0.00 0.00 70.33 67.29 3huw n THR 87 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3huw s GLY 88 N -3.11 2.97 0.00 3.41 0.00 -1.07 -4.71 107.32 104.82 3huw s GLY 88 Ca 0.46 1.23 -0.03 0.00 0.00 0.00 0.00 44.72 46.38 3huw s GLY 88 CO -0.12 1.85 2.43 0.00 0.00 0.00 0.00 173.10 177.27 3huw n ALA 89 N 0.56 4.52 0.00 3.20 0.00 -1.24 -0.98 120.51 126.58 3huw n ALA 89 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3huw n ALA 89 Cb 0.43 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3huw n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huw n GLY 90 N 2.32 0.00 0.19 0.00 0.00 -1.26 -1.28 105.19 105.16 3huw n GLY 90 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.34 3huw n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3huw h ARG 91 N 0.00 0.00 0.00 1.61 1.12 -1.41 -3.21 114.38 112.49 3huw h ARG 91 Ca 0.00 0.00 -0.25 0.00 -1.11 0.00 0.00 59.98 58.62 3huw h ARG 91 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 29.92 3huw h ARG 91 CO 0.00 0.13 -1.70 -1.91 -3.11 0.00 0.00 179.97 173.38 3huw n GLU 92 N -3.11 0.63 0.07 0.20 4.07 -1.26 -3.69 120.64 117.55 3huw n GLU 92 Ca 0.03 0.23 0.13 0.00 -0.06 0.00 0.00 57.16 57.49 3huw n GLU 92 Cb 0.59 -1.76 0.47 0.00 -0.06 0.00 0.00 31.44 30.68 3huw n GLU 92 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3huw n GLN 93 N -2.95 0.16 0.37 5.31 1.13 -1.25 -3.05 117.38 117.10 3huw n GLN 93 Ca -0.16 0.18 -0.17 0.00 -1.94 0.00 0.00 57.00 54.91 3huw n GLN 93 Cb 0.99 -1.70 -0.09 0.00 0.11 0.00 0.00 30.24 29.55 3huw n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3huw h ALA 94 N 2.63 -0.92 0.40 -1.58 0.00 -1.63 -1.39 119.26 116.77 3huw h ALA 94 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3huw h ALA 94 Cb 0.58 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3huw h ALA 94 CO 0.00 -0.97 -0.32 0.82 0.00 0.00 0.00 179.25 178.78 3huw h ILE 95 N -1.01 0.00 -0.97 0.00 1.08 -1.69 -2.72 117.51 112.19 3huw h ILE 95 Ca -0.09 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.67 3huw h ILE 95 Cb 0.73 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.30 3huw h ILE 95 CO 0.15 0.00 0.17 0.03 -0.69 0.00 0.00 178.15 177.81 3huw h ARG 96 N -0.69 0.04 0.00 2.37 3.08 -1.58 1.70 114.38 119.30 3huw h ARG 96 Ca -0.05 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3huw h ARG 96 Cb 0.58 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3huw h ARG 96 CO 0.01 0.03 -0.14 0.00 -1.07 0.00 0.00 179.97 178.79 3huw h ALA 97 N 1.95 1.09 0.00 0.04 0.00 -1.09 -2.34 119.26 118.91 3huw h ALA 97 Ca 0.64 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.31 3huw h ALA 97 Cb 1.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3huw h ALA 97 CO -0.85 0.17 -0.90 -0.07 0.00 0.00 0.00 179.25 177.61 3huw h LEU 98 N 0.00 0.00 0.00 0.00 3.38 0.28 -3.25 115.31 115.72 3huw h LEU 98 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3huw h LEU 98 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3huw h LEU 98 CO 0.02 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3huw n GLN 99 N -3.02 0.00 -0.25 1.13 1.13 -0.19 -3.34 117.38 112.84 3huw n GLN 99 Ca -0.03 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.03 3huw n GLN 99 Cb 0.74 -0.77 -0.01 0.00 0.11 0.00 0.00 30.24 30.32 3huw n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3huw n ALA 100 N -1.08 2.74 -0.05 -1.58 0.00 -1.15 -3.05 120.51 116.34 3huw n ALA 100 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 3huw n ALA 100 Cb 0.00 -1.57 -0.09 0.00 0.00 0.00 0.00 19.45 17.78 3huw n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3huw n SER 101 N 1.83 2.11 0.00 0.00 3.41 -1.21 -4.98 113.62 114.77 3huw n SER 101 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3huw n SER 101 Cb 0.25 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 3huw n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3huw n GLY 102 N 2.18 1.60 3.28 5.00 0.00 -1.17 -4.95 105.19 111.12 3huw n GLY 102 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3huw n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3huw s LEU 103 N 0.00 2.55 0.31 0.99 2.01 -1.25 -4.91 118.68 118.38 3huw s LEU 103 Ca 0.00 -0.45 -0.28 0.00 0.01 0.00 0.00 54.13 53.41 3huw s LEU 103 Cb 0.00 -1.59 -0.09 0.00 0.01 0.00 0.00 46.19 44.51 3huw s LEU 103 CO 0.00 0.07 1.10 -1.58 1.01 0.00 0.00 176.35 176.95 3huw s GLN 104 N 0.88 4.51 -0.87 1.70 0.74 -1.21 -4.65 119.66 120.78 3huw s GLN 104 Ca -0.04 1.76 -0.02 0.00 0.05 0.00 0.00 55.36 57.11 3huw s GLN 104 Cb -0.15 -3.03 0.21 0.00 1.10 0.00 0.00 33.01 31.14 3huw s GLN 104 CO -0.01 0.11 0.75 0.14 -0.55 0.00 0.00 175.29 175.73 3huw s VAL 105 N -1.27 4.36 0.28 1.34 -7.23 -1.25 0.15 120.40 116.78 3huw s VAL 105 Ca 0.48 -3.71 0.17 0.00 -1.81 0.00 0.00 61.98 57.11 3huw s VAL 105 Cb -0.30 -3.72 0.28 0.00 0.56 0.00 0.00 36.38 33.21 3huw s VAL 105 CO 0.38 -1.06 1.15 0.29 -0.31 0.00 0.00 175.10 175.55 3huw n LYS 106 N 2.52 -0.04 -3.88 4.82 5.02 -0.49 -4.71 118.16 121.39 3huw n LYS 106 Ca 0.20 0.98 0.04 0.00 -2.02 0.00 0.00 58.31 57.50 3huw n LYS 106 Cb 0.37 -1.80 0.01 0.00 -0.02 0.00 0.00 35.03 33.59 3huw n LYS 106 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3huw s SER 107 N -4.57 -0.00 0.01 4.39 0.15 -1.26 -5.05 113.70 107.37 3huw s SER 107 Ca -0.06 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.53 3huw s SER 107 Cb 0.24 0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 3huw s SER 107 CO 0.58 -0.11 -0.06 -0.63 1.20 0.00 0.00 173.24 174.21 3huw s ILE 108 N -2.05 0.42 0.07 6.45 1.01 -1.26 -0.59 121.20 125.25 3huw s ILE 108 Ca 0.26 -0.56 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3huw s ILE 108 Cb 0.02 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.08 3huw s ILE 108 CO -0.03 -0.11 0.24 -0.69 0.00 0.00 0.00 174.94 174.35 3huw s VAL 109 N -0.65 0.11 -0.43 2.92 1.01 -0.31 -4.98 120.40 118.07 3huw s VAL 109 Ca -0.03 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3huw s VAL 109 Cb -0.05 -1.09 0.12 0.00 0.00 0.00 0.00 36.38 35.35 3huw s VAL 109 CO 0.00 -0.50 0.16 -0.62 0.00 0.00 0.00 175.10 174.14 3huw s ASP 110 N -2.41 4.48 -1.02 3.32 2.15 -1.26 -1.41 116.67 120.52 3huw s ASP 110 Ca -0.01 -2.59 -0.02 0.00 0.43 0.00 0.00 52.55 50.36 3huw s ASP 110 Cb 0.01 -1.59 0.27 0.00 -0.30 0.00 0.00 42.92 41.31 3huw s ASP 110 CO -0.07 -0.30 2.04 -0.67 -0.17 0.00 0.00 175.17 176.00 3huw n ASP 111 N 3.67 7.48 -4.61 -0.34 4.64 -0.58 -4.93 116.55 121.88 3huw n ASP 111 Ca 0.05 -3.58 -0.43 0.00 -1.38 0.00 0.00 54.79 49.45 3huw n ASP 111 Cb 0.37 -1.19 -0.02 0.00 -1.04 0.00 0.00 41.12 39.23 3huw n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3huw s THR 112 N -3.70 3.79 -0.02 5.18 2.01 -1.24 -4.67 115.64 116.99 3huw s THR 112 Ca 0.46 0.83 -0.34 0.00 0.31 0.00 0.00 61.69 62.95 3huw s THR 112 Cb 0.25 -3.99 -0.12 0.00 0.01 0.00 0.00 72.50 68.65 3huw s THR 112 CO -0.18 -0.57 1.82 -0.81 -0.69 0.00 0.00 174.62 174.18 3huw n PRO 113 N 8.02 2.21 -3.95 4.92 -0.04 -1.26 -4.95 135.00 139.95 3huw n PRO 113 Ca 0.18 0.81 -0.17 0.00 -0.04 0.00 0.00 63.50 64.28 3huw n PRO 113 Cb 0.47 -2.64 -0.16 0.00 -0.04 0.00 0.00 33.50 31.13 3huw n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3huw s VAL 114 N 3.34 0.20 0.39 0.52 0.11 -1.26 -5.04 120.40 118.65 3huw s VAL 114 Ca 0.89 0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 59.76 3huw s VAL 114 Cb -0.67 -0.28 -0.10 0.00 -1.53 0.00 0.00 36.38 33.80 3huw s VAL 114 CO 0.48 0.14 1.00 -2.16 -3.33 0.00 0.00 175.10 171.22 3huw s PRO 115 N 0.88 4.27 -0.42 1.54 0.04 -1.26 -4.93 135.00 135.12 3huw s PRO 115 Ca -0.09 1.36 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 3huw s PRO 115 Cb -0.12 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 31.93 3huw s PRO 115 CO -0.01 -0.02 2.89 0.72 0.04 0.00 0.00 177.00 180.62 3huw n HIS 116 N -0.09 1.39 -2.61 0.56 8.25 -1.26 -4.67 115.22 116.80 3huw n HIS 116 Ca 0.05 -1.91 -0.06 0.00 -0.26 0.00 0.00 57.72 55.54 3huw n HIS 116 Cb 0.51 -1.43 0.01 0.00 1.12 0.00 0.00 29.99 30.19 3huw n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3huw n ASN 117 N 1.16 -6.99 0.00 0.41 5.03 -1.26 -5.06 115.26 108.55 3huw n ASN 117 Ca 0.49 0.56 0.00 0.00 0.87 0.00 0.00 54.58 56.49 3huw n ASN 117 Cb 0.59 -4.67 0.00 0.00 -1.02 0.00 0.00 39.78 34.68 3huw n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3huw n GLY 118 N -0.20 0.46 0.44 7.41 0.00 -1.26 -5.10 105.19 106.93 3huw n GLY 118 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 3huw n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huw s ARG 120 N -3.30 3.40 0.97 0.00 3.52 -1.26 -5.11 118.95 117.17 3huw s ARG 120 Ca 0.09 -0.45 -0.14 0.00 -0.13 0.00 0.00 55.73 55.10 3huw s ARG 120 Cb -0.01 -2.89 0.17 0.00 -1.56 0.00 0.00 34.95 30.66 3huw s ARG 120 CO 0.07 0.45 1.14 -2.14 -0.81 0.00 0.00 175.30 174.01 3huw s PRO 121 N -0.18 0.66 1.10 5.12 0.02 -1.26 -5.03 135.00 135.43 3huw s PRO 121 Ca 0.04 0.20 -0.14 0.00 0.02 0.00 0.00 61.00 61.13 3huw s PRO 121 Cb -0.13 -1.79 0.24 0.00 0.02 0.00 0.00 34.50 32.84 3huw s PRO 121 CO 0.02 -2.51 1.07 0.15 -0.33 0.00 0.00 177.00 175.40 3huw s LYS 122 N -5.31 -0.37 0.46 5.54 1.02 -1.26 -4.74 119.74 115.09 3huw s LYS 122 Ca 0.66 0.52 0.12 0.00 0.02 0.00 0.00 55.97 57.28 3huw s LYS 122 Cb -0.14 -1.64 1.05 0.00 -0.52 0.00 0.00 37.83 36.58 3huw s LYS 122 CO 0.54 -3.27 2.09 -0.22 -0.92 0.00 0.00 175.35 173.57 3huw h LYS 123 N -2.28 0.26 -0.15 1.68 3.64 -1.99 -1.77 116.57 115.96 3huw h LYS 123 Ca -0.56 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.82 3huw h LYS 123 Cb 1.33 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.06 3huw h LYS 123 CO 0.53 0.19 -0.28 -0.22 -2.27 0.00 0.00 179.45 177.39 3huw h LYS 124 N 0.27 -0.24 -0.04 1.90 3.64 -2.02 -1.47 116.57 118.60 3huw h LYS 124 Ca 0.07 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3huw h LYS 124 Cb -0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3huw h LYS 124 CO -0.01 -0.16 0.00 1.19 -2.27 0.00 0.00 179.45 178.20 3huw n PHE 125 N -4.06 0.05 0.34 1.91 3.72 -1.10 -2.48 117.46 115.84 3huw n PHE 125 Ca -0.02 -0.03 0.11 0.00 -0.05 0.00 0.00 57.45 57.46 3huw n PHE 125 Cb 0.18 0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.20 3huw n PHE 125 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3huw n ARG 126 N -0.45 0.15 0.00 -1.08 1.74 -0.55 0.24 116.66 116.71 3huw n ARG 126 Ca 0.17 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 3huw n ARG 126 Cb 0.17 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 3huw n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3huw n LYS 127 N -2.13 0.46 -3.47 5.56 4.76 -1.03 -1.89 118.16 120.42 3huw n LYS 127 Ca 0.01 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.19 3huw n LYS 127 Cb 0.17 -1.22 -0.10 0.00 -1.84 0.00 0.00 35.03 32.04 3huw n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3huw n ALA 128 N 0.24 2.96 1.82 7.82 0.00 0.14 -5.17 120.51 128.32 3huw n ALA 128 Ca 0.00 -3.45 0.15 0.00 0.00 0.00 0.00 53.44 50.13 3huw n ALA 128 Cb 0.11 -0.81 0.87 0.00 0.00 0.00 0.00 19.45 19.61 3huw n ALA 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95