#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huy s ARG 12 N 0.00 3.48 -0.01 1.97 3.00 -1.26 -5.11 118.95 121.02 3huy s ARG 12 Ca 0.00 -0.40 0.07 0.00 -1.00 0.00 0.00 55.73 54.41 3huy s ARG 12 Cb 0.00 -2.71 -0.02 0.00 0.00 0.00 0.00 34.95 32.22 3huy s ARG 12 CO 0.00 0.21 -0.23 -0.65 0.00 0.00 0.00 175.30 174.63 3huy s GLN 13 N -4.19 1.87 -0.15 5.12 -0.21 -1.26 -5.01 119.66 115.82 3huy s GLN 13 Ca 0.39 -0.84 -0.04 0.00 0.02 0.00 0.00 55.36 54.89 3huy s GLN 13 Cb -0.10 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 32.07 3huy s GLN 13 CO 0.34 0.50 -0.02 0.14 -2.12 0.00 0.00 175.29 174.13 3huy s VAL 14 N -0.56 4.03 -0.01 1.09 -7.23 -1.21 -5.04 120.40 111.47 3huy s VAL 14 Ca 0.09 -0.31 -0.13 0.00 -1.81 0.00 0.00 61.98 59.81 3huy s VAL 14 Cb -0.09 -2.76 -0.07 0.00 0.56 0.00 0.00 36.38 34.01 3huy s VAL 14 CO -0.01 0.50 0.72 0.00 -0.31 0.00 0.00 175.10 176.01 3huy h ALA 15 N 6.54 -0.65 -4.28 1.32 0.00 -1.84 -3.37 119.26 116.98 3huy h ALA 15 Ca -0.34 -0.10 -0.68 0.00 0.00 0.00 0.00 54.91 53.79 3huy h ALA 15 Cb 1.19 0.18 -0.27 0.00 0.00 0.00 0.00 17.79 18.90 3huy h ALA 15 CO 0.63 -0.62 -0.88 0.45 0.00 0.00 0.00 179.25 178.84 3huy s SER 16 N -3.97 3.06 0.00 0.00 0.15 -1.26 0.20 113.70 111.88 3huy s SER 16 Ca -0.07 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.00 3huy s SER 16 Cb 0.01 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 3huy s SER 16 CO 0.21 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.51 3huy n GLY 17 N 1.81 3.91 3.21 9.45 0.00 -0.25 -4.38 105.19 118.95 3huy n GLY 17 Ca -0.17 -0.46 0.04 0.00 0.00 0.00 0.00 46.02 45.43 3huy n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3huy s ARG 18 N 3.09 0.34 -0.20 1.61 3.52 -1.04 -3.76 118.95 122.50 3huy s ARG 18 Ca 0.00 0.65 -0.09 0.00 -0.13 0.00 0.00 55.73 56.16 3huy s ARG 18 Cb 0.00 0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 33.71 3huy s ARG 18 CO 0.00 -0.31 0.12 0.00 -0.81 0.00 0.00 175.30 174.30 3huy s ALA 19 N 2.83 3.62 -0.13 6.12 0.00 -1.07 -0.82 121.76 132.32 3huy s ALA 19 Ca 0.05 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.16 3huy s ALA 19 Cb -0.11 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.83 3huy s ALA 19 CO -0.15 0.13 0.30 0.71 0.00 0.00 0.00 175.76 176.74 3huy s TYR 20 N 0.43 3.52 -0.12 0.00 1.51 0.86 -1.68 117.35 121.86 3huy s TYR 20 Ca 0.07 0.66 -0.02 0.00 -1.01 0.00 0.00 57.07 56.77 3huy s TYR 20 Cb -0.12 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.41 3huy s TYR 20 CO -0.01 0.36 -0.04 0.42 -1.11 0.00 0.00 175.55 175.17 3huy s ILE 21 N 0.04 3.88 -0.18 2.71 1.09 0.14 -1.56 121.20 127.32 3huy s ILE 21 Ca 0.18 -0.38 0.00 0.00 -1.10 0.00 0.00 60.65 59.35 3huy s ILE 21 Cb -0.14 -2.66 0.04 0.00 -1.06 0.00 0.00 42.46 38.64 3huy s ILE 21 CO 0.06 0.53 -0.08 -2.28 -0.10 0.00 0.00 174.94 173.07 3huy s HIS 22 N -0.09 2.08 -0.25 3.97 2.46 0.25 -1.04 115.29 122.67 3huy s HIS 22 Ca 0.02 -1.35 0.02 0.00 0.47 0.00 0.00 55.06 54.22 3huy s HIS 22 Cb -0.13 -1.49 0.06 0.00 -0.13 0.00 0.00 32.58 30.89 3huy s HIS 22 CO 0.03 -0.68 -0.10 0.00 -2.47 0.00 0.00 174.74 171.51 3huy s ALA 23 N 1.51 2.43 0.15 1.58 0.00 0.54 -1.83 121.76 126.13 3huy s ALA 23 Ca -0.00 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.30 3huy s ALA 23 Cb -0.16 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3huy s ALA 23 CO -0.08 -1.16 0.00 0.45 0.00 0.00 0.00 175.76 174.97 3huy n SER 24 N 4.49 0.00 0.00 0.00 2.88 -0.78 -2.59 113.62 117.62 3huy n SER 24 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 3huy n SER 24 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3huy n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3huy n TYR 25 N 0.00 0.00 0.74 0.66 4.02 -1.26 -3.12 117.16 118.20 3huy n TYR 25 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 3huy n TYR 25 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.34 3huy n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3huy n ASN 26 N -1.10 1.88 -3.56 7.72 3.02 -1.26 -4.39 115.26 117.56 3huy n ASN 26 Ca 0.00 -1.44 -0.02 0.00 -0.03 0.00 0.00 54.58 53.09 3huy n ASN 26 Cb 0.04 0.35 0.01 0.00 -0.61 0.00 0.00 39.78 39.56 3huy n ASN 26 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3huy s ASN 27 N -1.83 -0.05 -0.40 6.41 3.84 -1.26 -3.38 114.94 118.27 3huy s ASN 27 Ca 0.16 -0.46 0.05 0.00 0.21 0.00 0.00 52.86 52.82 3huy s ASN 27 Cb 0.14 0.40 0.17 0.00 -0.55 0.00 0.00 41.25 41.40 3huy s ASN 27 CO 0.37 -0.77 0.50 -0.89 -2.79 0.00 0.00 177.10 173.52 3huy s THR 28 N -2.48 -0.62 0.06 -5.21 2.01 -1.25 -1.86 115.64 106.29 3huy s THR 28 Ca 0.19 -0.67 -0.22 0.00 0.31 0.00 0.00 61.69 61.30 3huy s THR 28 Cb -0.01 -0.37 -0.06 0.00 0.01 0.00 0.00 72.50 72.07 3huy s THR 28 CO 0.02 -0.34 0.66 -0.51 -0.69 0.00 0.00 174.62 173.77 3huy s ILE 29 N 1.49 4.71 -0.12 1.82 1.10 -0.76 -3.02 121.20 126.42 3huy s ILE 29 Ca 0.18 1.42 -0.02 0.00 -0.51 0.00 0.00 60.65 61.71 3huy s ILE 29 Cb -0.09 -4.00 0.04 0.00 0.15 0.00 0.00 42.46 38.56 3huy s ILE 29 CO -0.05 0.47 0.03 0.68 -2.11 0.00 0.00 174.94 173.95 3huy s VAL 30 N -0.62 0.34 -0.05 4.00 -7.23 0.51 -0.58 120.40 116.77 3huy s VAL 30 Ca 0.33 -0.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.44 3huy s VAL 30 Cb -0.20 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 3huy s VAL 30 CO 0.21 0.04 -0.22 0.28 -0.31 0.00 0.00 175.10 175.10 3huy s THR 31 N 1.96 2.37 -0.16 5.32 -1.32 -0.60 -1.63 115.64 121.59 3huy s THR 31 Ca 0.03 -0.97 -0.08 0.00 -1.21 0.00 0.00 61.69 59.45 3huy s THR 31 Cb -0.14 -1.87 -0.04 0.00 -1.51 0.00 0.00 72.50 68.93 3huy s THR 31 CO -0.06 0.58 0.13 0.27 -2.21 0.00 0.00 174.62 173.32 3huy s ILE 32 N -0.43 5.39 0.47 5.08 -4.36 -0.89 -0.10 121.20 126.35 3huy s ILE 32 Ca 0.05 0.17 0.04 0.00 -0.26 0.00 0.00 60.65 60.65 3huy s ILE 32 Cb -0.12 -3.40 -0.03 0.00 1.25 0.00 0.00 42.46 40.16 3huy s ILE 32 CO 0.01 0.53 0.06 0.42 0.24 0.00 0.00 174.94 176.21 3huy s THR 33 N -0.36 1.58 0.00 8.37 -4.23 -0.00 0.13 115.64 121.14 3huy s THR 33 Ca 0.11 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3huy s THR 33 Cb -0.12 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.22 3huy s THR 33 CO 0.01 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.19 3huy n ASP 34 N -1.22 0.00 0.00 3.99 3.85 0.41 -2.51 116.55 121.07 3huy n ASP 34 Ca -0.11 -0.60 0.09 0.00 -0.71 0.00 0.00 54.79 53.45 3huy n ASP 34 Cb 0.66 0.00 0.39 0.00 -1.35 0.00 0.00 41.12 40.82 3huy n ASP 34 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 3huy n PRO 35 N -0.60 0.05 -0.12 0.11 -0.02 -1.26 -3.39 135.00 129.77 3huy n PRO 35 Ca 0.00 0.18 -0.25 0.00 -2.02 0.00 0.00 63.50 61.42 3huy n PRO 35 Cb 0.00 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.87 3huy n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3huy n ASP 36 N -1.46 1.91 0.00 2.55 10.43 -1.26 -5.00 116.55 123.71 3huy n ASP 36 Ca 0.05 0.38 0.00 0.00 2.57 0.00 0.00 54.79 57.79 3huy n ASP 36 Cb 0.19 -0.90 0.00 0.00 1.84 0.00 0.00 41.12 42.25 3huy n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3huy n GLY 37 N 1.39 0.61 3.71 0.44 0.00 -1.22 -5.12 105.19 104.99 3huy n GLY 37 Ca -0.41 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3huy n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3huy s ASN 38 N 0.00 6.40 0.15 1.61 0.01 -1.26 -4.52 114.94 117.32 3huy s ASN 38 Ca 0.00 2.82 -0.32 0.00 -0.71 0.00 0.00 52.86 54.64 3huy s ASN 38 Cb 0.00 -2.58 -0.12 0.00 0.41 0.00 0.00 41.25 38.96 3huy s ASN 38 CO 0.00 -0.99 1.74 -2.65 -1.51 0.00 0.00 177.10 173.69 3huy n PRO 39 N 4.85 2.58 -0.01 -0.60 -0.02 -1.26 -0.44 135.00 140.10 3huy n PRO 39 Ca 0.17 0.94 0.01 0.00 -2.02 0.00 0.00 63.50 62.60 3huy n PRO 39 Cb 0.37 -2.78 -0.12 0.00 -0.02 0.00 0.00 33.50 30.95 3huy n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3huy n ILE 40 N 4.16 0.90 0.00 4.25 2.08 0.36 -4.87 119.36 126.24 3huy n ILE 40 Ca 0.17 -0.67 0.00 0.00 0.56 0.00 0.00 62.75 62.81 3huy n ILE 40 Cb 0.34 -0.46 0.00 0.00 -0.75 0.00 0.00 39.64 38.77 3huy n ILE 40 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 3huy n THR 41 N -2.68 0.00 -3.53 1.39 5.66 -1.18 -5.02 114.28 108.92 3huy n THR 41 Ca -0.13 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.77 3huy n THR 41 Cb 0.83 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.59 3huy n THR 41 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 3huy s TRP 42 N -2.00 -0.41 0.24 1.09 1.48 -1.26 -2.11 118.94 115.98 3huy s TRP 42 Ca 0.00 0.18 -0.11 0.00 -1.06 0.00 0.00 56.10 55.11 3huy s TRP 42 Cb 0.00 0.58 -0.01 0.00 -1.16 0.00 0.00 33.47 32.88 3huy s TRP 42 CO 0.00 -0.82 0.43 0.45 -4.06 0.00 0.00 176.95 172.95 3huy s SER 43 N -2.72 -0.05 0.06 -2.66 0.15 -0.65 -4.86 113.70 102.97 3huy s SER 43 Ca 0.04 -1.00 -0.27 0.00 0.70 0.00 0.00 55.95 55.42 3huy s SER 43 Cb -0.02 0.56 0.09 0.00 -1.71 0.00 0.00 66.02 64.94 3huy s SER 43 CO -0.08 -1.10 0.96 -0.94 1.20 0.00 0.00 173.24 173.27 3huy s SER 44 N -3.04 -0.25 0.57 5.45 1.04 -1.26 -0.37 113.70 115.84 3huy s SER 44 Ca 0.25 -0.20 0.35 0.00 0.48 0.00 0.00 55.95 56.83 3huy s SER 44 Cb 0.00 0.41 1.44 0.00 0.10 0.00 0.00 66.02 67.97 3huy s SER 44 CO 0.10 -0.72 1.70 1.23 0.98 0.00 0.00 173.24 176.53 3huy h GLY 45 N 2.00 0.00 1.33 7.32 0.00 -1.81 0.34 103.07 112.24 3huy h GLY 45 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.82 3huy h GLY 45 CO 0.28 0.00 -1.47 -1.33 0.00 0.00 0.00 176.54 174.02 3huy h GLY 46 N 0.00 0.14 -0.71 4.60 0.00 -1.91 -3.23 103.07 101.96 3huy h GLY 46 Ca 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3huy h GLY 46 CO -0.01 0.30 0.00 3.33 0.00 0.00 0.00 176.54 180.17 3huy n VAL 47 N -3.31 0.00 -3.03 4.60 0.24 0.12 -4.55 118.33 112.40 3huy n VAL 47 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3huy n VAL 47 Cb 1.02 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 3huy n VAL 47 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3huy n ILE 48 N -0.12 0.00 -0.84 1.34 2.08 -1.11 -4.76 119.36 115.95 3huy n ILE 48 Ca 0.00 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.10 3huy n ILE 48 Cb 0.16 -0.02 0.08 0.00 -0.75 0.00 0.00 39.64 39.11 3huy n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3huy n GLY 49 N 5.00 4.35 2.90 7.39 0.00 -1.26 -4.91 105.19 118.67 3huy n GLY 49 Ca 0.00 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 3huy n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3huy s TYR 50 N -2.47 0.23 -0.00 1.61 1.51 -1.22 -5.12 117.35 111.89 3huy s TYR 50 Ca 0.42 -0.04 -0.08 0.00 -1.01 0.00 0.00 57.07 56.37 3huy s TYR 50 Cb 0.34 -0.17 0.00 0.00 -0.11 0.00 0.00 41.96 42.03 3huy s TYR 50 CO 0.03 -0.01 0.15 -1.59 -1.11 0.00 0.00 175.55 173.02 3huy s LYS 51 N 0.03 0.48 0.00 -0.62 -2.85 -1.26 -3.57 119.74 111.95 3huy s LYS 51 Ca 0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 55.97 54.63 3huy s LYS 51 Cb -0.02 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 3huy s LYS 51 CO -0.00 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.74 3huy n GLY 52 N 1.54 0.71 0.03 0.59 0.00 -1.26 -4.26 105.19 102.53 3huy n GLY 52 Ca -0.22 -1.51 0.11 0.00 0.00 0.00 0.00 46.02 44.41 3huy n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3huy n SER 53 N 0.00 0.63 0.08 1.61 3.41 -1.26 -3.64 113.62 114.45 3huy n SER 53 Ca 0.00 -0.22 0.10 0.00 -0.26 0.00 0.00 58.87 58.50 3huy n SER 53 Cb 0.00 0.57 0.43 0.00 -0.26 0.00 0.00 64.21 64.95 3huy n SER 53 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3huy n ARG 54 N -1.85 0.12 0.17 4.33 1.74 -1.26 -0.54 116.66 119.37 3huy n ARG 54 Ca 0.03 0.34 0.04 0.00 -0.77 0.00 0.00 57.85 57.49 3huy n ARG 54 Cb 0.41 -1.72 0.24 0.00 -1.02 0.00 0.00 32.46 30.36 3huy n ARG 54 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3huy h LYS 55 N 0.00 0.00 -0.47 5.56 1.57 -1.78 -2.60 116.57 118.85 3huy h LYS 55 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3huy h LYS 55 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3huy h LYS 55 CO 0.00 0.43 0.00 0.41 -0.57 0.00 0.00 179.45 179.72 3huy n GLY 56 N 0.55 0.97 3.81 3.86 0.00 0.30 -3.83 105.19 110.85 3huy n GLY 56 Ca 0.00 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3huy n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3huy s THR 57 N -1.64 4.68 0.15 2.61 2.01 -0.98 -4.67 115.64 117.81 3huy s THR 57 Ca 0.21 1.26 -0.19 0.00 0.31 0.00 0.00 61.69 63.28 3huy s THR 57 Cb 0.13 -3.92 0.05 0.00 0.01 0.00 0.00 72.50 68.77 3huy s THR 57 CO 0.11 0.50 1.67 1.55 -0.69 0.00 0.00 174.62 177.77 3huy h PRO 58 N 4.34 -0.04 -1.07 4.92 0.13 -1.89 -0.02 132.00 138.37 3huy h PRO 58 Ca -0.49 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 64.93 3huy h PRO 58 Cb 1.21 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 3huy h PRO 58 CO 0.64 -0.03 0.73 -0.92 -0.23 0.00 0.00 178.00 178.19 3huy h TYR 59 N -0.05 0.34 0.50 1.56 3.20 -1.93 0.09 116.97 120.67 3huy h TYR 59 Ca 0.15 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3huy h TYR 59 Cb 0.28 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3huy h TYR 59 CO -0.32 0.03 -0.24 0.00 -1.64 0.00 0.00 178.16 175.99 3huy h ALA 60 N 1.54 -0.67 -0.28 1.82 0.00 -1.23 -1.03 119.26 119.40 3huy h ALA 60 Ca 0.56 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.36 3huy h ALA 60 Cb 1.80 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 3huy h ALA 60 CO -0.15 -0.71 0.32 0.00 0.00 0.00 0.00 179.25 178.71 3huy h ALA 61 N -0.74 1.92 0.29 0.00 0.00 -0.93 0.54 119.26 120.34 3huy h ALA 61 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3huy h ALA 61 Cb 0.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3huy h ALA 61 CO 0.11 -0.47 -0.14 0.37 0.00 0.00 0.00 179.25 179.13 3huy h GLN 62 N 0.00 -0.37 -0.40 0.00 4.15 -0.57 -2.14 115.11 115.77 3huy h GLN 62 Ca 0.13 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.69 3huy h GLN 62 Cb 0.78 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 3huy h GLN 62 CO -0.00 -0.25 0.54 -0.07 -1.93 0.00 0.00 178.83 177.12 3huy h LEU 63 N -0.51 0.00 0.65 -2.39 3.38 0.14 -1.17 115.31 115.40 3huy h LEU 63 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3huy h LEU 63 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3huy h LEU 63 CO 0.06 0.00 -0.31 0.00 0.09 0.00 0.00 178.44 178.28 3huy h ALA 64 N 1.29 -0.88 -0.07 1.53 0.00 -0.71 -2.40 119.26 118.03 3huy h ALA 64 Ca 0.19 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3huy h ALA 64 Cb 1.27 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 3huy h ALA 64 CO -0.00 -0.82 0.11 0.00 0.00 0.00 0.00 179.25 178.53 3huy h ALA 65 N -1.19 1.52 -0.00 0.00 0.00 -0.57 0.44 119.26 119.46 3huy h ALA 65 Ca -0.09 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 3huy h ALA 65 Cb 0.68 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3huy h ALA 65 CO 0.15 -0.15 -0.72 -0.07 0.00 0.00 0.00 179.25 178.46 3huy h LEU 66 N 0.00 0.01 0.13 0.00 3.38 -1.27 -0.75 115.31 116.81 3huy h LEU 66 Ca 0.03 -0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.64 3huy h LEU 66 Cb 0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3huy h LEU 66 CO -0.00 0.73 -1.94 -0.78 0.09 0.00 0.00 178.44 176.53 3huy h ASP 67 N 0.00 0.42 -0.86 -0.43 -0.00 -0.40 -0.44 116.42 114.71 3huy h ASP 67 Ca -0.01 -0.94 0.09 0.00 -0.00 0.00 0.00 57.03 56.17 3huy h ASP 67 Cb 1.28 -0.14 -0.07 0.00 -0.00 0.00 0.00 39.33 40.40 3huy h ASP 67 CO 0.09 1.84 0.51 0.00 -0.00 0.00 0.00 179.24 181.69 3huy h ALA 68 N 0.05 1.22 0.52 -0.78 0.00 -0.28 0.33 119.26 120.31 3huy h ALA 68 Ca -0.41 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3huy h ALA 68 Cb 2.01 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.63 3huy h ALA 68 CO 0.08 0.18 -0.25 0.00 0.00 0.00 0.00 179.25 179.26 3huy h ALA 69 N 1.45 -0.82 -0.94 0.00 0.00 -1.22 -2.83 119.26 114.89 3huy h ALA 69 Ca 0.40 -0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.43 3huy h ALA 69 Cb 0.31 0.27 -0.17 0.00 0.00 0.00 0.00 17.79 18.20 3huy h ALA 69 CO -0.22 -0.77 0.16 -0.22 0.00 0.00 0.00 179.25 178.20 3huy h LYS 70 N -1.00 0.07 0.00 0.00 3.64 -0.34 0.44 116.57 119.38 3huy h LYS 70 Ca -0.07 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3huy h LYS 70 Cb 0.54 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3huy h LYS 70 CO 0.12 0.05 -0.04 0.87 -2.27 0.00 0.00 179.45 178.18 3huy h LYS 71 N 0.08 0.00 0.19 1.90 1.57 -0.43 -3.00 116.57 116.87 3huy h LYS 71 Ca 0.61 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 59.08 3huy h LYS 71 Cb 1.30 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.63 3huy h LYS 71 CO -0.81 0.04 -1.39 0.00 -0.57 0.00 0.00 179.45 176.72 3huy h ALA 72 N 1.96 -0.02 0.00 3.86 0.00 0.04 -3.15 119.26 121.96 3huy h ALA 72 Ca -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3huy h ALA 72 Cb 0.79 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3huy h ALA 72 CO 0.00 0.85 0.00 -1.33 0.00 0.00 0.00 179.25 178.78 3huy n MET 73 N -3.62 0.54 -0.01 0.00 2.81 -0.15 -0.14 117.12 116.56 3huy n MET 73 Ca -0.13 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.75 3huy n MET 73 Cb 1.07 -1.27 -0.02 0.00 -0.71 0.00 0.00 33.22 32.29 3huy n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3huy n ALA 74 N 0.25 2.00 -0.91 3.04 0.00 -1.19 -4.51 120.51 119.19 3huy n ALA 74 Ca 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 3huy n ALA 74 Cb 0.14 0.10 0.14 0.00 0.00 0.00 0.00 19.45 19.83 3huy n ALA 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3huy n TYR 75 N -1.88 2.60 -3.55 0.00 4.02 0.80 -4.88 117.16 114.26 3huy n TYR 75 Ca -0.02 -1.78 -0.24 0.00 -0.01 0.00 0.00 57.90 55.85 3huy n TYR 75 Cb 0.37 -0.90 0.05 0.00 -0.02 0.00 0.00 39.34 38.84 3huy n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3huy n GLY 76 N -0.83 -0.88 3.72 2.72 0.00 -1.19 -3.36 105.19 105.37 3huy n GLY 76 Ca 0.51 0.42 -0.39 0.00 0.00 0.00 0.00 46.02 46.55 3huy n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3huy s MET 77 N -5.48 4.41 0.00 1.61 1.75 -0.92 -3.91 119.30 116.76 3huy s MET 77 Ca 0.36 0.79 0.00 0.00 -1.25 0.00 0.00 55.69 55.59 3huy s MET 77 Cb -0.10 -3.43 0.00 0.00 2.84 0.00 0.00 34.83 34.14 3huy s MET 77 CO 0.81 0.12 0.00 1.04 -0.65 0.00 0.00 175.02 176.34 3huy n GLN 78 N 3.62 0.00 -4.20 4.11 1.13 0.52 -4.74 117.38 117.82 3huy n GLN 78 Ca -0.03 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.88 3huy n GLN 78 Cb 0.51 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.76 3huy n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3huy s SER 79 N -0.75 1.59 0.11 1.08 1.04 -1.26 -3.18 113.70 112.34 3huy s SER 79 Ca 0.00 -0.87 -0.18 0.00 0.48 0.00 0.00 55.95 55.38 3huy s SER 79 Cb 0.00 -0.00 0.04 0.00 0.10 0.00 0.00 66.02 66.16 3huy s SER 79 CO 0.00 -0.27 0.46 0.68 0.98 0.00 0.00 173.24 175.09 3huy s VAL 80 N -2.65 0.05 -0.27 5.02 -7.23 -1.04 -1.09 120.40 113.19 3huy s VAL 80 Ca 0.09 -0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 59.73 3huy s VAL 80 Cb -0.02 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.79 3huy s VAL 80 CO 0.00 -0.23 0.21 -1.81 -0.31 0.00 0.00 175.10 172.97 3huy s ASP 81 N -2.60 6.08 -0.68 4.85 1.11 -1.25 -2.10 116.67 122.08 3huy s ASP 81 Ca 0.01 0.07 -0.26 0.00 0.18 0.00 0.00 52.55 52.54 3huy s ASP 81 Cb 0.01 -2.13 -0.01 0.00 1.07 0.00 0.00 42.92 41.86 3huy s ASP 81 CO -0.10 -0.05 1.72 -0.69 1.18 0.00 0.00 175.17 177.24 3huy s VAL 82 N 1.66 3.46 -0.28 -1.27 1.01 0.58 -2.60 120.40 122.97 3huy s VAL 82 Ca 0.08 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 3huy s VAL 82 Cb -0.15 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 3huy s VAL 82 CO 0.10 -1.16 0.22 -0.63 0.00 0.00 0.00 175.10 173.63 3huy s ILE 83 N 8.28 5.28 0.09 2.22 1.01 -0.68 0.05 121.20 137.46 3huy s ILE 83 Ca 0.59 0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.55 3huy s ILE 83 Cb -0.11 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3huy s ILE 83 CO 0.17 0.23 -0.11 0.68 0.00 0.00 0.00 174.94 175.91 3huy s VAL 84 N 1.82 3.30 -0.04 2.92 -7.23 0.60 0.25 120.40 122.02 3huy s VAL 84 Ca 0.08 -1.24 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 3huy s VAL 84 Cb -0.16 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.29 3huy s VAL 84 CO 0.11 0.15 0.02 -0.13 -0.31 0.00 0.00 175.10 174.94 3huy s ARG 85 N -2.07 0.24 0.00 4.82 0.52 -0.20 -0.64 118.95 121.61 3huy s ARG 85 Ca 0.20 0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.59 3huy s ARG 85 Cb -0.11 -0.58 0.00 0.00 0.52 0.00 0.00 34.95 34.78 3huy s ARG 85 CO 0.12 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.62 3huy n GLY 86 N 4.71 2.60 0.55 -3.53 0.00 -1.26 -0.34 105.19 107.92 3huy n GLY 86 Ca -0.15 -2.01 0.08 0.00 0.00 0.00 0.00 46.02 43.94 3huy n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3huy n THR 87 N 0.06 1.93 -0.72 2.61 -1.04 -1.20 -4.78 114.28 111.14 3huy n THR 87 Ca 0.00 -1.83 -0.20 0.00 -2.04 0.00 0.00 64.05 59.97 3huy n THR 87 Cb 0.00 -0.11 0.09 0.00 -1.82 0.00 0.00 70.33 68.49 3huy n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3huy n GLY 88 N -0.67 -2.23 0.00 3.41 0.00 -1.07 -4.89 105.19 99.74 3huy n GLY 88 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3huy n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huy n ALA 89 N -3.84 -0.22 0.50 4.61 0.00 -1.25 -3.48 120.51 116.82 3huy n ALA 89 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.47 3huy n ALA 89 Cb 0.40 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.92 3huy n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huy n GLY 90 N 0.46 -0.25 0.39 0.00 0.00 -1.26 -3.36 105.19 101.18 3huy n GLY 90 Ca 0.00 -0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.17 3huy n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3huy h ARG 91 N 0.00 0.00 0.00 1.61 1.12 -1.90 0.33 114.38 115.54 3huy h ARG 91 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.79 3huy h ARG 91 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 3huy h ARG 91 CO 0.00 0.00 -1.21 -1.91 -3.11 0.00 0.00 179.97 173.74 3huy n GLU 92 N -3.16 0.53 0.00 0.20 4.07 -1.21 -3.71 120.64 117.36 3huy n GLU 92 Ca 0.06 0.26 0.00 0.00 -0.06 0.00 0.00 57.16 57.42 3huy n GLU 92 Cb 0.78 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.68 3huy n GLU 92 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3huy n GLN 93 N -4.44 0.00 -0.10 5.31 1.13 -0.67 0.52 117.38 119.13 3huy n GLN 93 Ca -0.20 0.24 -0.24 0.00 -1.94 0.00 0.00 57.00 54.86 3huy n GLN 93 Cb 0.56 -1.61 -0.12 0.00 0.11 0.00 0.00 30.24 29.18 3huy n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3huy n ALA 94 N -1.19 1.02 -0.09 -1.58 0.00 0.11 -2.83 120.51 115.94 3huy n ALA 94 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3huy n ALA 94 Cb 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3huy n ALA 94 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3huy n ILE 95 N -4.04 0.00 -0.32 0.00 2.08 0.19 -2.07 119.36 115.19 3huy n ILE 95 Ca -0.41 1.46 0.08 0.00 0.56 0.00 0.00 62.75 64.44 3huy n ILE 95 Cb 0.85 -2.21 0.24 0.00 -0.75 0.00 0.00 39.64 37.77 3huy n ILE 95 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3huy h ARG 96 N 0.00 0.71 0.00 0.38 3.08 -1.64 0.91 114.38 117.82 3huy h ARG 96 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3huy h ARG 96 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3huy h ARG 96 CO 0.00 0.47 0.50 0.00 -1.07 0.00 0.00 179.97 179.87 3huy h ALA 97 N 1.57 1.49 0.07 0.04 0.00 -1.26 0.70 119.26 121.87 3huy h ALA 97 Ca 0.49 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 55.07 3huy h ALA 97 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3huy h ALA 97 CO -0.34 -0.49 -1.84 -0.07 0.00 0.00 0.00 179.25 176.51 3huy h LEU 98 N 0.00 0.23 -0.02 0.00 3.38 -0.39 -3.30 115.31 115.21 3huy h LEU 98 Ca 0.00 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.48 3huy h LEU 98 Cb 1.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3huy h LEU 98 CO 0.00 1.45 -0.12 1.56 0.09 0.00 0.00 178.44 181.41 3huy h GLN 99 N 0.04 -0.13 -1.51 1.13 1.08 0.45 -1.16 115.11 115.01 3huy h GLN 99 Ca -0.35 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3huy h GLN 99 Cb 2.02 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.49 3huy h GLN 99 CO 0.09 -0.09 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 3huy n ALA 100 N -2.65 3.23 -0.54 3.87 0.00 -1.12 -3.68 120.51 119.63 3huy n ALA 100 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 3huy n ALA 100 Cb 0.09 -1.01 0.31 0.00 0.00 0.00 0.00 19.45 18.84 3huy n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3huy n SER 101 N 1.01 4.22 -0.45 0.00 3.41 -0.44 -4.86 113.62 116.52 3huy n SER 101 Ca 0.00 -2.34 -0.05 0.00 -0.26 0.00 0.00 58.87 56.22 3huy n SER 101 Cb 0.49 -0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3huy n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3huy n GLY 102 N 0.97 0.65 3.17 5.00 0.00 -1.25 -4.77 105.19 108.96 3huy n GLY 102 Ca 0.23 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 3huy n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3huy s LEU 103 N -1.28 2.19 -0.03 0.99 1.98 -1.24 -5.05 118.68 116.23 3huy s LEU 103 Ca 0.00 -0.50 -0.09 0.00 -2.89 0.00 0.00 54.13 50.65 3huy s LEU 103 Cb 0.00 -0.68 -0.05 0.00 0.66 0.00 0.00 46.19 46.12 3huy s LEU 103 CO 0.00 0.05 0.27 -1.58 -1.89 0.00 0.00 176.35 173.20 3huy s GLN 104 N -1.26 3.64 -0.43 1.98 -0.44 -1.19 -4.51 119.66 117.46 3huy s GLN 104 Ca 0.03 0.06 -0.04 0.00 -2.50 0.00 0.00 55.36 52.91 3huy s GLN 104 Cb -0.08 -3.15 0.11 0.00 -1.64 0.00 0.00 33.01 28.25 3huy s GLN 104 CO 0.02 0.70 0.24 0.14 0.50 0.00 0.00 175.29 176.88 3huy s VAL 105 N -1.15 3.43 0.67 1.34 -7.23 -1.26 -2.50 120.40 113.69 3huy s VAL 105 Ca 0.23 -2.07 0.43 0.00 -1.81 0.00 0.00 61.98 58.76 3huy s VAL 105 Cb -0.14 -3.33 0.44 0.00 0.56 0.00 0.00 36.38 33.91 3huy s VAL 105 CO 0.11 -0.71 2.35 0.11 -0.31 0.00 0.00 175.10 176.65 3huy h LYS 106 N 8.05 0.00 0.00 4.82 1.57 -1.79 -3.46 116.57 125.76 3huy h LYS 106 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3huy h LYS 106 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3huy h LYS 106 CO 0.72 0.00 0.00 0.45 -0.57 0.00 0.00 179.45 180.05 3huy n SER 107 N -3.11 0.00 -4.23 0.86 2.88 -1.26 -4.95 113.62 103.80 3huy n SER 107 Ca -0.03 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.22 3huy n SER 107 Cb 0.09 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.39 3huy n SER 107 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3huy s ILE 108 N -2.00 1.80 -0.09 2.46 1.01 -1.26 0.21 121.20 123.33 3huy s ILE 108 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 3huy s ILE 108 Cb 0.00 -1.51 0.04 0.00 0.01 0.00 0.00 42.46 41.00 3huy s ILE 108 CO 0.00 0.51 0.23 -0.69 0.00 0.00 0.00 174.94 174.98 3huy s VAL 109 N -0.31 -0.02 -0.19 2.92 1.01 0.11 -4.94 120.40 118.97 3huy s VAL 109 Ca 0.03 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 3huy s VAL 109 Cb -0.11 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 3huy s VAL 109 CO 0.01 0.04 0.23 -0.62 0.00 0.00 0.00 175.10 174.76 3huy s ASP 110 N 0.78 6.30 0.00 3.32 2.15 -1.26 -0.29 116.67 127.67 3huy s ASP 110 Ca -0.05 0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.27 3huy s ASP 110 Cb -0.07 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 3huy s ASP 110 CO -0.05 0.09 0.00 -0.67 -0.17 0.00 0.00 175.17 174.38 3huy n ASP 111 N 3.82 1.35 -0.99 -0.34 -0.08 0.18 -4.95 116.55 115.54 3huy n ASP 111 Ca -0.13 -0.26 -0.12 0.00 -1.51 0.00 0.00 54.79 52.77 3huy n ASP 111 Cb 0.52 0.79 -0.03 0.00 2.34 0.00 0.00 41.12 44.74 3huy n ASP 111 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3huy n THR 112 N -0.92 0.00 -0.46 5.18 -1.04 -1.12 -4.76 114.28 111.16 3huy n THR 112 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 3huy n THR 112 Cb 0.00 -0.11 0.23 0.00 -1.82 0.00 0.00 70.33 68.63 3huy n THR 112 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3huy n PRO 113 N 1.80 -2.94 -3.22 -2.82 -0.04 -1.26 -4.92 135.00 121.61 3huy n PRO 113 Ca 0.14 -0.85 0.04 0.00 -0.04 0.00 0.00 63.50 62.78 3huy n PRO 113 Cb -0.00 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 3huy n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3huy s VAL 114 N -2.22 -0.26 0.41 0.52 0.11 -1.26 -5.04 120.40 112.66 3huy s VAL 114 Ca 0.60 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.40 3huy s VAL 114 Cb -0.15 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.61 3huy s VAL 114 CO 0.58 0.00 1.20 -2.16 -3.33 0.00 0.00 175.10 171.40 3huy s PRO 115 N 2.58 3.97 -0.87 1.54 0.04 -1.26 -4.79 135.00 136.21 3huy s PRO 115 Ca -0.02 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.87 3huy s PRO 115 Cb -0.06 -2.65 -0.11 0.00 0.04 0.00 0.00 34.50 31.72 3huy s PRO 115 CO -0.13 -0.41 2.58 0.72 0.04 0.00 0.00 177.00 179.79 3huy n HIS 116 N -0.01 1.29 -2.96 0.56 8.25 -1.26 -4.63 115.22 116.47 3huy n HIS 116 Ca 0.05 -2.07 -0.01 0.00 -0.26 0.00 0.00 57.72 55.43 3huy n HIS 116 Cb 0.46 -1.81 -0.01 0.00 1.12 0.00 0.00 29.99 29.75 3huy n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3huy n ASN 117 N 3.56 -6.41 0.18 0.41 5.03 -1.26 -5.00 115.26 111.76 3huy n ASN 117 Ca 0.51 1.01 0.00 0.00 0.87 0.00 0.00 54.58 56.98 3huy n ASN 117 Cb 0.32 -1.97 0.00 0.00 -1.02 0.00 0.00 39.78 37.11 3huy n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3huy n GLY 118 N 2.42 -0.89 3.57 7.41 0.00 -1.26 -5.07 105.19 111.37 3huy n GLY 118 Ca -0.05 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3huy n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huy n ARG 120 N 7.87 1.73 -2.14 0.00 0.63 -1.26 -4.97 116.66 118.52 3huy n ARG 120 Ca 0.08 0.62 -0.28 0.00 -0.92 0.00 0.00 57.85 57.36 3huy n ARG 120 Cb 0.49 -2.34 0.15 0.00 0.45 0.00 0.00 32.46 31.21 3huy n ARG 120 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3huy s PRO 121 N 0.74 1.05 0.75 -0.14 0.04 -1.26 -5.08 135.00 131.10 3huy s PRO 121 Ca 0.81 -0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.13 3huy s PRO 121 Cb -0.79 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 31.78 3huy s PRO 121 CO 0.42 -2.05 1.08 0.15 0.04 0.00 0.00 177.00 176.63 3huy s LYS 122 N -5.63 2.50 0.62 4.56 1.02 -1.26 -4.74 119.74 116.81 3huy s LYS 122 Ca 0.71 0.80 0.30 0.00 0.02 0.00 0.00 55.97 57.80 3huy s LYS 122 Cb -0.05 -1.95 1.64 0.00 -0.52 0.00 0.00 37.83 36.95 3huy s LYS 122 CO 0.50 -1.37 1.98 -0.22 -0.92 0.00 0.00 175.35 175.32 3huy h LYS 123 N -0.91 0.00 -0.29 1.68 3.64 -1.98 0.44 116.57 119.15 3huy h LYS 123 Ca -0.45 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.74 3huy h LYS 123 Cb 1.24 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3huy h LYS 123 CO 0.58 0.00 -0.54 -0.22 -2.27 0.00 0.00 179.45 177.00 3huy h LYS 124 N 0.00 0.85 -0.14 1.90 3.64 -2.05 -3.26 116.57 117.51 3huy h LYS 124 Ca 0.09 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3huy h LYS 124 Cb 0.75 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3huy h LYS 124 CO -0.00 1.17 0.00 1.19 -2.27 0.00 0.00 179.45 179.54 3huy n PHE 125 N -4.01 0.17 0.30 1.91 3.72 -0.51 -4.41 117.46 114.63 3huy n PHE 125 Ca -0.04 -0.11 0.19 0.00 -0.05 0.00 0.00 57.45 57.44 3huy n PHE 125 Cb 0.62 -0.00 0.90 0.00 -0.94 0.00 0.00 39.48 40.06 3huy n PHE 125 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3huy h ARG 126 N 3.44 0.00 0.00 -1.08 3.08 -1.01 -2.85 114.38 115.97 3huy h ARG 126 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3huy h ARG 126 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3huy h ARG 126 CO 0.00 0.01 0.08 1.63 -1.07 0.00 0.00 179.97 180.62 3huy n LYS 127 N -3.12 0.00 -1.29 0.04 4.76 -1.26 0.65 118.16 117.94 3huy n LYS 127 Ca -0.01 0.27 -0.25 0.00 -2.87 0.00 0.00 58.31 55.45 3huy n LYS 127 Cb 0.21 -1.58 0.13 0.00 -1.84 0.00 0.00 35.03 31.95 3huy n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3huy n ALA 128 N -1.23 5.62 1.12 7.82 0.00 -1.07 -5.23 120.51 127.53 3huy n ALA 128 Ca 0.00 -3.28 0.12 0.00 0.00 0.00 0.00 53.44 50.29 3huy n ALA 128 Cb 0.08 -1.33 0.20 0.00 0.00 0.00 0.00 19.45 18.41 3huy n ALA 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95