#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huy n THR 3 N 0.00 0.00 -0.33 3.45 -2.24 -1.26 -4.76 114.28 109.13 3huy n THR 3 Ca 0.00 -0.21 -0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3huy n THR 3 Cb 0.00 -0.60 0.13 0.00 -2.10 0.00 0.00 70.33 67.76 3huy n THR 3 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3huy h ILE 4 N -1.57 1.13 0.03 2.28 1.08 -2.06 -2.59 117.51 115.80 3huy h ILE 4 Ca -0.44 -0.39 0.02 0.00 -0.39 0.00 0.00 64.86 63.66 3huy h ILE 4 Cb 1.29 -0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 3huy h ILE 4 CO 0.34 0.21 -0.16 -1.13 -0.69 0.00 0.00 178.15 176.72 3huy h ASN 5 N 1.13 -0.45 -1.24 1.72 -0.00 -2.00 -2.06 115.58 112.67 3huy h ASN 5 Ca 0.37 0.06 0.37 0.00 -0.00 0.00 0.00 56.30 57.10 3huy h ASN 5 Cb 0.04 0.18 -0.10 0.00 -0.00 0.00 0.00 38.32 38.44 3huy h ASN 5 CO -0.13 -0.22 0.82 1.56 -0.00 0.00 0.00 177.43 179.46 3huy h GLN 6 N -0.27 0.17 -0.21 6.67 4.20 -1.79 0.61 115.11 124.49 3huy h GLN 6 Ca 0.04 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 3huy h GLN 6 Cb 0.33 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3huy h GLN 6 CO -0.13 0.11 -0.23 -0.07 -0.67 0.00 0.00 178.83 177.85 3huy h LEU 7 N 0.18 0.56 -0.73 1.46 3.38 -1.29 0.75 115.31 119.62 3huy h LEU 7 Ca 0.70 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 58.27 3huy h LEU 7 Cb 2.21 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.73 3huy h LEU 7 CO -0.28 0.93 0.39 0.58 0.09 0.00 0.00 178.44 180.15 3huy h VAL 8 N 0.20 0.88 0.00 1.22 2.07 0.30 0.58 116.25 121.50 3huy h VAL 8 Ca 0.03 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3huy h VAL 8 Cb 0.78 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3huy h VAL 8 CO 0.06 0.12 0.00 0.54 0.02 0.00 0.00 177.57 178.31 3huy n ARG 9 N -4.82 0.00 0.09 1.57 1.74 0.32 -4.39 116.66 111.17 3huy n ARG 9 Ca 0.11 0.46 -0.12 0.00 -0.77 0.00 0.00 57.85 57.53 3huy n ARG 9 Cb 0.26 -1.23 -0.08 0.00 -1.02 0.00 0.00 32.46 30.38 3huy n ARG 9 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3huy h LYS 10 N 0.00 0.22 -2.65 5.56 6.56 0.46 -3.51 116.57 123.21 3huy h LYS 10 Ca 0.00 -0.30 0.04 0.00 -1.06 0.00 0.00 60.65 59.33 3huy h LYS 10 Cb 0.00 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 3huy h LYS 10 CO 0.00 1.09 -0.73 0.41 -2.06 0.00 0.00 179.45 178.15 3huy n GLY 11 N 1.23 -3.63 3.77 3.86 0.00 0.20 -4.81 105.19 105.81 3huy n GLY 11 Ca -0.05 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 3huy n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huy s ARG 12 N -4.84 4.23 -0.21 1.61 1.81 -1.26 -4.98 118.95 115.31 3huy s ARG 12 Ca 0.00 2.17 -0.23 0.00 -1.72 0.00 0.00 55.73 55.95 3huy s ARG 12 Cb 0.00 -2.96 -0.02 0.00 -0.45 0.00 0.00 34.95 31.53 3huy s ARG 12 CO 0.00 -0.27 0.74 -2.00 -0.68 0.00 0.00 175.30 173.09 3huy s GLU 13 N -1.95 4.21 0.44 3.54 2.12 -1.26 -5.06 118.70 120.74 3huy s GLU 13 Ca 0.52 0.80 -0.07 0.00 0.36 0.00 0.00 54.97 56.58 3huy s GLU 13 Cb -0.38 -3.61 0.10 0.00 0.26 0.00 0.00 34.13 30.50 3huy s GLU 13 CO 0.51 -0.38 0.23 1.17 -0.54 0.00 0.00 175.26 176.25 3huy n LYS 14 N 5.50 -1.77 0.03 4.30 0.00 -1.26 -5.04 118.16 119.93 3huy n LYS 14 Ca 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 58.31 57.94 3huy n LYS 14 Cb 0.49 -0.59 -0.00 0.00 0.00 0.00 0.00 35.03 34.92 3huy n LYS 14 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3huy n VAL 15 N -3.59 1.23 -0.93 3.15 0.24 -1.26 -5.15 118.33 112.02 3huy n VAL 15 Ca 0.04 0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.71 3huy n VAL 15 Cb 0.16 -1.65 0.00 0.00 -1.47 0.00 0.00 33.84 30.88 3huy n VAL 15 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3huy n ARG 16 N -3.56 -2.63 -4.86 7.34 0.63 -1.26 -5.01 116.66 107.30 3huy n ARG 16 Ca -0.01 1.93 -0.30 0.00 -0.92 0.00 0.00 57.85 58.54 3huy n ARG 16 Cb 0.05 -2.15 -0.14 0.00 0.45 0.00 0.00 32.46 30.67 3huy n ARG 16 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3huy s LYS 17 N -3.90 1.86 0.29 -0.14 -2.85 -1.26 -5.10 119.74 108.64 3huy s LYS 17 Ca 0.00 -1.08 -0.29 0.00 -1.00 0.00 0.00 55.97 53.60 3huy s LYS 17 Cb 0.00 -2.02 -0.10 0.00 -2.06 0.00 0.00 37.83 33.65 3huy s LYS 17 CO 0.00 0.52 1.22 0.15 0.10 0.00 0.00 175.35 177.34 3huy s LYS 18 N -1.27 4.48 -1.19 1.78 3.01 -1.26 -4.88 119.74 120.40 3huy s LYS 18 Ca 0.12 2.02 -0.21 0.00 -1.01 0.00 0.00 55.97 56.90 3huy s LYS 18 Cb -0.10 -3.14 0.01 0.00 -1.01 0.00 0.00 37.83 33.59 3huy s LYS 18 CO 0.03 -0.03 1.78 0.45 0.51 0.00 0.00 175.35 178.09 3huy s SER 19 N -0.52 6.07 0.20 2.83 0.15 -1.26 -4.75 113.70 116.42 3huy s SER 19 Ca 0.48 -1.92 0.18 0.00 0.70 0.00 0.00 55.95 55.39 3huy s SER 19 Cb -0.36 -2.58 0.64 0.00 -1.71 0.00 0.00 66.02 62.02 3huy s SER 19 CO 0.46 -1.96 0.59 1.17 1.20 0.00 0.00 173.24 174.69 3huy n LYS 20 N 8.46 -0.00 -3.31 5.44 4.81 -1.26 -2.82 118.16 129.48 3huy n LYS 20 Ca 0.45 0.41 -0.10 0.00 -0.87 0.00 0.00 58.31 58.21 3huy n LYS 20 Cb 0.47 -0.94 -0.06 0.00 0.02 0.00 0.00 35.03 34.52 3huy n LYS 20 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3huy s VAL 21 N -3.75 -0.61 -1.13 3.15 1.01 -1.26 -5.02 120.40 112.79 3huy s VAL 21 Ca -0.02 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 3huy s VAL 21 Cb 0.10 -0.94 -0.07 0.00 0.00 0.00 0.00 36.38 35.48 3huy s VAL 21 CO 0.33 -0.31 2.23 -0.81 0.00 0.00 0.00 175.10 176.55 3huy n PRO 22 N 5.24 2.38 0.00 2.72 -0.04 -1.13 -4.64 135.00 139.53 3huy n PRO 22 Ca 0.02 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 3huy n PRO 22 Cb 0.49 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 3huy n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3huy n ALA 23 N 5.56 1.02 -2.14 0.55 0.00 -1.26 -4.53 120.51 119.70 3huy n ALA 23 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3huy n ALA 23 Cb 0.30 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3huy n ALA 23 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3huy n LEU 24 N 1.17 -5.83 0.00 0.00 7.99 -1.26 -3.89 117.00 115.17 3huy n LEU 24 Ca 0.00 3.12 0.00 0.00 -0.01 0.00 0.00 56.01 59.12 3huy n LEU 24 Cb 0.00 -3.12 0.00 0.00 -0.11 0.00 0.00 43.42 40.19 3huy n LEU 24 CO 0.00 -1.97 0.00 0.29 -1.51 0.00 0.00 177.39 174.20 3huy n LYS 25 N 1.94 -0.32 -3.63 3.23 4.76 -1.26 -3.11 118.16 119.77 3huy n LYS 25 Ca 0.00 0.08 -0.25 0.00 -2.87 0.00 0.00 58.31 55.26 3huy n LYS 25 Cb 0.00 -4.46 0.02 0.00 -1.84 0.00 0.00 35.03 28.75 3huy n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3huy n GLY 26 N -1.43 -1.11 3.76 0.72 0.00 -1.25 -5.00 105.19 100.87 3huy n GLY 26 Ca 0.00 0.49 -0.23 0.00 0.00 0.00 0.00 46.02 46.28 3huy n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huy s ALA 27 N -3.26 3.63 0.27 4.61 0.00 -1.18 -5.01 121.76 120.82 3huy s ALA 27 Ca 0.27 -1.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.25 3huy s ALA 27 Cb -0.10 -0.62 0.45 0.00 0.00 0.00 0.00 23.12 22.85 3huy s ALA 27 CO 0.86 -0.10 1.88 -1.35 0.00 0.00 0.00 175.76 177.05 3huy h PRO 28 N 1.41 1.10 -4.57 0.00 0.11 -1.94 -3.45 132.00 124.66 3huy h PRO 28 Ca -0.43 -0.07 -0.38 0.00 0.11 0.00 0.00 66.00 65.24 3huy h PRO 28 Cb 1.25 -0.25 -0.11 0.00 0.11 0.00 0.00 31.00 32.01 3huy h PRO 28 CO 0.65 0.73 -0.37 -0.06 -0.21 0.00 0.00 178.00 178.74 3huy s PHE 29 N -6.00 1.45 -0.29 0.65 0.08 -1.26 -4.86 117.98 107.75 3huy s PHE 29 Ca -0.12 -1.50 -0.14 0.00 0.12 0.00 0.00 56.93 55.29 3huy s PHE 29 Cb 0.20 -0.45 0.10 0.00 -0.57 0.00 0.00 43.02 42.30 3huy s PHE 29 CO 0.81 -0.97 0.68 0.50 -0.10 0.00 0.00 175.22 176.14 3huy s ARG 30 N -3.31 0.66 0.74 0.44 6.06 -1.16 -5.00 118.95 117.38 3huy s ARG 30 Ca 0.36 1.31 -0.11 0.00 -2.50 0.00 0.00 55.73 54.80 3huy s ARG 30 Cb 0.01 0.40 0.04 0.00 0.06 0.00 0.00 34.95 35.46 3huy s ARG 30 CO 0.24 -0.17 1.08 0.50 -2.50 0.00 0.00 175.30 174.45 3huy s ARG 31 N 2.08 2.54 -0.29 5.12 3.52 -1.26 -0.34 118.95 130.33 3huy s ARG 31 Ca -0.09 1.03 -0.31 0.00 -0.13 0.00 0.00 55.73 56.23 3huy s ARG 31 Cb -0.07 -1.94 0.19 0.00 -1.56 0.00 0.00 34.95 31.56 3huy s ARG 31 CO -0.20 -1.40 1.36 0.20 -0.81 0.00 0.00 175.30 174.46 3huy s GLY 32 N -3.61 0.05 -0.19 8.12 0.00 0.96 -2.85 107.32 109.79 3huy s GLY 32 Ca 0.60 2.70 -0.09 0.00 0.00 0.00 0.00 44.72 47.92 3huy s GLY 32 CO 0.55 1.04 0.12 0.14 0.00 0.00 0.00 173.10 174.95 3huy s VAL 33 N -1.18 5.32 -0.56 1.40 1.01 -0.72 0.15 120.40 125.82 3huy s VAL 33 Ca 0.09 0.15 -0.23 0.00 0.00 0.00 0.00 61.98 62.00 3huy s VAL 33 Cb -0.01 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 33.01 3huy s VAL 33 CO -0.07 0.47 0.89 0.00 0.00 0.00 0.00 175.10 176.38 3huy h THR 35 N 5.99 0.00 -3.25 0.00 1.35 -1.05 -3.32 112.91 112.63 3huy h THR 35 Ca -0.27 -0.26 -0.64 0.00 -0.55 0.00 0.00 66.41 64.69 3huy h THR 35 Cb 1.08 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 67.34 3huy h THR 35 CO 1.08 0.00 -0.59 -0.69 -0.25 0.00 0.00 175.52 175.07 3huy s VAL 36 N -4.51 4.56 -0.58 6.82 1.01 -1.13 -4.33 120.40 122.25 3huy s VAL 36 Ca -0.13 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.79 3huy s VAL 36 Cb 0.01 -3.01 0.23 0.00 0.00 0.00 0.00 36.38 33.61 3huy s VAL 36 CO 0.39 0.51 0.63 0.52 0.00 0.00 0.00 175.10 177.15 3huy n VAL 37 N 3.10 1.34 -0.85 2.92 0.31 -1.26 0.79 118.33 124.68 3huy n VAL 37 Ca -0.17 -4.78 0.00 0.00 -0.01 0.00 0.00 64.34 59.37 3huy n VAL 37 Cb 0.53 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 3huy n VAL 37 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3huy n ARG 38 N 1.28 2.14 -3.63 5.55 0.63 -1.17 -4.92 116.66 116.54 3huy n ARG 38 Ca 0.26 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.16 3huy n ARG 38 Cb 0.43 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.29 3huy n ARG 38 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3huy s THR 39 N 0.98 -0.89 0.41 5.15 -1.32 -1.26 -2.66 115.64 116.06 3huy s THR 39 Ca 0.00 0.05 0.07 0.00 -1.21 0.00 0.00 61.69 60.60 3huy s THR 39 Cb 0.00 -0.90 -0.06 0.00 -1.51 0.00 0.00 72.50 70.03 3huy s THR 39 CO 0.00 0.02 0.09 0.68 -2.21 0.00 0.00 174.62 173.20 3huy s VAL 40 N 2.81 2.13 0.08 5.08 -7.23 -0.21 -4.87 120.40 118.18 3huy s VAL 40 Ca -0.04 -1.85 -0.15 0.00 -1.81 0.00 0.00 61.98 58.13 3huy s VAL 40 Cb -0.12 -2.98 -0.06 0.00 0.56 0.00 0.00 36.38 33.78 3huy s VAL 40 CO -0.17 0.00 0.50 0.42 -0.31 0.00 0.00 175.10 175.53 3huy s THR 41 N -2.66 4.90 0.98 5.32 -4.23 -1.26 -1.06 115.64 117.63 3huy s THR 41 Ca 0.37 0.89 -0.16 0.00 -1.18 0.00 0.00 61.69 61.61 3huy s THR 41 Cb 0.07 -3.76 0.25 0.00 1.34 0.00 0.00 72.50 70.40 3huy s THR 41 CO 0.20 0.43 0.61 -0.81 -0.54 0.00 0.00 174.62 174.51 3huy n PRO 42 N 1.36 -3.78 0.00 3.99 -0.04 -1.26 -4.90 135.00 130.37 3huy n PRO 42 Ca -0.10 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 3huy n PRO 42 Cb 0.52 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 3huy n PRO 42 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3huy n LYS 43 N -4.50 0.00 0.00 0.54 4.81 -0.97 -4.92 118.16 113.12 3huy n LYS 43 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 3huy n LYS 43 Cb 0.41 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.46 3huy n LYS 43 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3huy n LYS 44 N 0.00 0.00 -0.89 1.64 4.81 -1.26 -3.60 118.16 118.86 3huy n LYS 44 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 3huy n LYS 44 Cb 0.00 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.28 3huy n LYS 44 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3huy n PRO 45 N 0.00 2.58 -4.30 1.64 -0.04 -1.26 -4.96 135.00 128.67 3huy n PRO 45 Ca 0.00 -3.07 -0.31 0.00 -0.04 0.00 0.00 63.50 60.08 3huy n PRO 45 Cb 0.00 -2.00 -0.09 0.00 -0.04 0.00 0.00 33.50 31.37 3huy n PRO 45 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3huy s ASN 46 N -1.80 4.80 -0.04 3.54 0.02 -1.24 -5.11 114.94 115.11 3huy s ASN 46 Ca 0.50 -0.17 0.02 0.00 -1.02 0.00 0.00 52.86 52.18 3huy s ASN 46 Cb 0.42 -1.12 0.02 0.00 0.02 0.00 0.00 41.25 40.58 3huy s ASN 46 CO 0.07 0.24 -0.07 -0.44 0.02 0.00 0.00 177.10 176.92 3huy s SER 47 N -1.82 1.11 0.00 -1.22 0.01 -1.26 -4.14 113.70 106.38 3huy s SER 47 Ca 0.21 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.30 3huy s SER 47 Cb -0.11 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.63 3huy s SER 47 CO 0.12 -0.02 0.00 0.00 0.41 0.00 0.00 173.24 173.75 3huy n ALA 48 N 3.85 0.00 -3.69 1.44 0.00 -1.26 -4.96 120.51 115.89 3huy n ALA 48 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.92 3huy n ALA 48 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 3huy n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3huy s LEU 49 N 0.00 3.10 0.04 0.00 2.01 -1.26 -4.01 118.68 118.56 3huy s LEU 49 Ca 0.00 -3.23 -0.30 0.00 0.01 0.00 0.00 54.13 50.61 3huy s LEU 49 Cb 0.00 -1.08 -0.07 0.00 0.01 0.00 0.00 46.19 45.05 3huy s LEU 49 CO 0.00 -0.17 1.50 -0.13 1.01 0.00 0.00 176.35 178.56 3huy s ARG 50 N -0.42 4.25 -0.26 1.70 3.00 -0.22 -4.78 118.95 122.23 3huy s ARG 50 Ca 0.25 2.12 -0.25 0.00 0.00 0.00 0.00 55.73 57.85 3huy s ARG 50 Cb -0.08 -3.56 -0.00 0.00 0.00 0.00 0.00 34.95 31.31 3huy s ARG 50 CO -0.12 -0.63 0.84 0.15 0.00 0.00 0.00 175.30 175.54 3huy s LYS 51 N 2.40 4.15 0.18 3.54 3.01 -1.26 -1.05 119.74 130.72 3huy s LYS 51 Ca 0.68 0.91 0.01 0.00 -1.01 0.00 0.00 55.97 56.56 3huy s LYS 51 Cb -0.35 -3.66 -0.00 0.00 -1.01 0.00 0.00 37.83 32.80 3huy s LYS 51 CO 0.29 -0.56 0.03 1.33 0.51 0.00 0.00 175.35 176.94 3huy n VAL 52 N 5.33 0.00 -3.49 3.17 0.24 -1.09 -1.95 118.33 120.54 3huy n VAL 52 Ca 0.06 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.41 3huy n VAL 52 Cb 0.48 0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 33.06 3huy n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3huy s ALA 53 N -2.39 -2.51 0.16 2.33 0.00 -0.88 -3.02 121.76 115.44 3huy s ALA 53 Ca 0.04 2.13 -0.30 0.00 0.00 0.00 0.00 51.96 53.83 3huy s ALA 53 Cb 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 21.12 3huy s ALA 53 CO 0.03 -0.79 1.20 0.15 0.00 0.00 0.00 175.76 176.34 3huy s LYS 54 N 2.22 4.48 0.06 0.00 1.02 0.24 -1.91 119.74 125.85 3huy s LYS 54 Ca -0.05 1.85 0.04 0.00 0.02 0.00 0.00 55.97 57.83 3huy s LYS 54 Cb -0.06 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 3huy s LYS 54 CO -0.17 -0.12 -0.12 0.08 -0.92 0.00 0.00 175.35 174.09 3huy s VAL 55 N 0.21 0.95 -0.28 3.17 1.01 0.14 -0.73 120.40 124.87 3huy s VAL 55 Ca 0.54 -1.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 3huy s VAL 55 Cb -0.32 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3huy s VAL 55 CO 0.35 -0.25 0.15 -0.60 0.00 0.00 0.00 175.10 174.74 3huy s ARG 56 N -1.65 3.75 0.56 2.72 6.06 0.80 -2.14 118.95 129.05 3huy s ARG 56 Ca -0.04 -0.44 -0.06 0.00 -2.50 0.00 0.00 55.73 52.70 3huy s ARG 56 Cb -0.10 -3.54 -0.00 0.00 0.06 0.00 0.00 34.95 31.37 3huy s ARG 56 CO 0.02 -0.22 0.87 -0.51 -2.50 0.00 0.00 175.30 172.95 3huy s LEU 57 N 1.69 3.34 -1.09 -0.88 2.01 0.60 -1.75 118.68 122.60 3huy s LEU 57 Ca 0.06 0.77 -0.18 0.00 0.01 0.00 0.00 54.13 54.79 3huy s LEU 57 Cb -0.16 -3.64 0.11 0.00 0.01 0.00 0.00 46.19 42.52 3huy s LEU 57 CO 0.08 -0.93 1.39 0.42 1.01 0.00 0.00 176.35 178.33 3huy s THR 58 N -2.92 4.51 0.00 5.49 -4.23 -1.13 -2.12 115.64 115.25 3huy s THR 58 Ca 0.52 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3huy s THR 58 Cb -0.10 -4.96 0.00 0.00 1.34 0.00 0.00 72.50 68.78 3huy s THR 58 CO 0.45 -1.73 0.00 -1.54 -0.54 0.00 0.00 174.62 171.26 3huy n SER 59 N 7.18 0.00 0.00 3.99 3.41 -1.26 -4.94 113.62 122.00 3huy n SER 59 Ca 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3huy n SER 59 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3huy n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3huy n GLY 60 N 0.00 0.45 2.96 5.00 0.00 -0.90 -4.92 105.19 107.79 3huy n GLY 60 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3huy n GLY 60 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3huy n TYR 61 N 0.00 -4.03 -3.33 1.61 4.02 -1.26 -4.39 117.16 109.77 3huy n TYR 61 Ca 0.00 0.17 -0.09 0.00 -0.01 0.00 0.00 57.90 57.97 3huy n TYR 61 Cb 0.00 -1.40 -0.07 0.00 -0.02 0.00 0.00 39.34 37.85 3huy n TYR 61 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3huy s GLU 62 N -1.98 0.38 0.09 -0.72 2.12 -1.26 -0.29 118.70 117.04 3huy s GLU 62 Ca 0.38 0.38 0.00 0.00 0.36 0.00 0.00 54.97 56.10 3huy s GLU 62 Cb -0.09 -0.39 0.00 0.00 0.26 0.00 0.00 34.13 33.91 3huy s GLU 62 CO 0.77 -0.80 0.03 1.33 -0.54 0.00 0.00 175.26 176.05 3huy n VAL 63 N 5.36 0.00 -4.19 3.70 0.24 -0.91 -4.86 118.33 117.67 3huy n VAL 63 Ca -0.02 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.34 61.60 3huy n VAL 63 Cb 0.50 -0.16 -0.17 0.00 -1.47 0.00 0.00 33.84 32.54 3huy n VAL 63 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3huy s THR 64 N -0.90 1.57 0.21 3.34 -4.23 -1.26 0.25 115.64 114.61 3huy s THR 64 Ca 0.02 -0.65 0.05 0.00 -1.18 0.00 0.00 61.69 59.94 3huy s THR 64 Cb -0.00 -1.45 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 3huy s THR 64 CO 0.02 0.46 0.24 0.00 -0.54 0.00 0.00 174.62 174.79 3huy s ALA 65 N 1.30 3.73 -0.12 3.99 0.00 -0.80 -3.79 121.76 126.07 3huy s ALA 65 Ca 0.01 -1.26 -0.09 0.00 0.00 0.00 0.00 51.96 50.62 3huy s ALA 65 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 3huy s ALA 65 CO -0.07 0.36 0.18 -0.47 0.00 0.00 0.00 175.76 175.76 3huy s TYR 66 N -1.94 3.57 -0.57 0.00 5.04 -0.22 -2.08 117.35 121.15 3huy s TYR 66 Ca 0.33 0.55 -0.16 0.00 -2.44 0.00 0.00 57.07 55.35 3huy s TYR 66 Cb -0.09 -2.05 0.13 0.00 0.35 0.00 0.00 41.96 40.30 3huy s TYR 66 CO 0.26 0.61 0.56 0.42 -1.34 0.00 0.00 175.55 176.06 3huy s ILE 67 N -0.66 5.16 1.19 3.14 1.01 -0.82 -0.65 121.20 129.56 3huy s ILE 67 Ca 0.15 -1.47 -0.13 0.00 0.00 0.00 0.00 60.65 59.20 3huy s ILE 67 Cb -0.12 -4.38 0.30 0.00 0.01 0.00 0.00 42.46 38.27 3huy s ILE 67 CO 0.04 -0.93 1.02 -2.84 0.00 0.00 0.00 174.94 172.23 3huy s PRO 68 N 1.71 -1.11 2.72 2.79 0.02 -1.26 -4.72 135.00 135.14 3huy s PRO 68 Ca 0.06 0.88 0.00 0.00 0.02 0.00 0.00 61.00 61.95 3huy s PRO 68 Cb -0.28 -1.53 0.00 0.00 0.02 0.00 0.00 34.50 32.72 3huy s PRO 68 CO 0.03 -3.87 0.00 0.41 -0.33 0.00 0.00 177.00 173.24 3huy n GLY 69 N 1.01 -0.55 3.18 0.52 0.00 -1.26 -4.75 105.19 103.34 3huy n GLY 69 Ca 0.03 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 3huy n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3huy s GLU 70 N 0.00 2.50 0.29 1.61 2.56 -1.26 -5.03 118.70 119.37 3huy s GLU 70 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 54.97 53.75 3huy s GLU 70 Cb 0.00 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 32.97 3huy s GLU 70 CO 0.00 -0.59 0.00 0.41 -0.56 0.00 0.00 175.26 174.52 3huy n GLY 71 N 4.64 -2.53 0.00 -1.50 0.00 -1.26 -4.58 105.19 99.96 3huy n GLY 71 Ca -0.14 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3huy n GLY 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3huy n HIS 72 N -3.47 -0.05 0.00 1.61 1.44 -1.26 -4.89 115.22 108.59 3huy n HIS 72 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 3huy n HIS 72 Cb 0.38 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.49 3huy n HIS 72 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3huy n ASN 73 N -0.05 0.00 -1.56 4.39 6.94 -1.26 -5.10 115.26 118.62 3huy n ASN 73 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3huy n ASN 73 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3huy n ASN 73 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3huy n LEU 74 N 0.00 -5.12 -4.33 -4.53 4.77 -1.26 -5.09 117.00 101.44 3huy n LEU 74 Ca 0.00 2.42 -0.21 0.00 -0.03 0.00 0.00 56.01 58.20 3huy n LEU 74 Cb 0.00 -2.40 -0.08 0.00 -2.33 0.00 0.00 43.42 38.61 3huy n LEU 74 CO 0.00 -1.00 -0.12 -1.10 -1.33 0.00 0.00 177.39 173.84 3huy s GLN 75 N -1.76 1.80 0.50 3.23 -0.21 -1.26 -4.94 119.66 117.01 3huy s GLN 75 Ca 0.00 -2.06 0.34 0.00 0.02 0.00 0.00 55.36 53.66 3huy s GLN 75 Cb 0.00 0.16 1.17 0.00 1.00 0.00 0.00 33.01 35.34 3huy s GLN 75 CO 0.00 -0.63 1.24 -1.91 -2.12 0.00 0.00 175.29 171.87 3huy n GLU 76 N -0.68 0.01 -0.12 2.91 2.13 -1.25 -0.72 120.64 122.91 3huy n GLU 76 Ca 0.05 0.91 0.04 0.00 0.66 0.00 0.00 57.16 58.82 3huy n GLU 76 Cb 0.63 -2.17 0.05 0.00 0.27 0.00 0.00 31.44 30.22 3huy n GLU 76 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3huy n HIS 77 N -3.34 0.00 -2.22 4.31 8.25 -1.25 -3.95 115.22 117.02 3huy n HIS 77 Ca 0.30 -0.53 -0.41 0.00 -0.26 0.00 0.00 57.72 56.82 3huy n HIS 77 Cb 1.55 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 32.55 3huy n HIS 77 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3huy s SER 78 N -1.57 6.90 0.10 0.41 0.01 0.10 -4.78 113.70 114.87 3huy s SER 78 Ca 0.12 2.38 -0.28 0.00 1.31 0.00 0.00 55.95 59.48 3huy s SER 78 Cb 0.11 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.67 3huy s SER 78 CO 0.01 -0.54 0.88 -0.69 0.41 0.00 0.00 173.24 173.31 3huy s VAL 79 N 0.23 4.53 0.12 3.43 1.01 -1.26 -1.83 120.40 126.63 3huy s VAL 79 Ca 0.57 1.89 0.01 0.00 0.00 0.00 0.00 61.98 64.45 3huy s VAL 79 Cb -0.36 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 3huy s VAL 79 CO 0.37 0.37 -0.02 -0.69 0.00 0.00 0.00 175.10 175.13 3huy s VAL 80 N -0.22 0.49 -0.33 2.92 1.01 0.40 -2.70 120.40 121.98 3huy s VAL 80 Ca 0.43 -1.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.46 3huy s VAL 80 Cb -0.23 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.37 3huy s VAL 80 CO 0.27 -0.70 0.06 -0.22 0.00 0.00 0.00 175.10 174.50 3huy s LEU 81 N -3.06 4.24 0.43 3.92 1.98 -1.26 -0.03 118.68 124.90 3huy s LEU 81 Ca 0.17 -1.42 -0.24 0.00 -2.89 0.00 0.00 54.13 49.75 3huy s LEU 81 Cb 0.06 -1.76 -0.08 0.00 0.66 0.00 0.00 46.19 45.08 3huy s LEU 81 CO -0.02 -0.33 1.18 -0.63 -1.89 0.00 0.00 176.35 174.66 3huy s ILE 82 N 1.25 3.07 0.00 6.68 -1.09 0.54 -0.88 121.20 130.77 3huy s ILE 82 Ca -0.02 0.86 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 3huy s ILE 82 Cb -0.20 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 3huy s ILE 82 CO -0.01 0.04 0.00 -1.14 -1.23 0.00 0.00 174.94 172.59 3huy n ARG 83 N -0.22 2.68 0.00 2.79 0.63 0.50 -3.01 116.66 120.03 3huy n ARG 83 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3huy n ARG 83 Cb 0.47 -0.90 0.00 0.00 0.45 0.00 0.00 32.46 32.48 3huy n ARG 83 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3huy n GLY 84 N 2.37 -1.39 0.00 5.14 0.00 -1.25 -4.76 105.19 105.29 3huy n GLY 84 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3huy n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huy n GLY 85 N -0.32 2.37 0.00 -0.02 0.00 -1.03 -4.32 105.19 101.88 3huy n GLY 85 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3huy n GLY 85 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3huy n ARG 86 N 0.27 1.07 -3.34 1.61 -4.01 -1.16 -4.00 116.66 107.10 3huy n ARG 86 Ca 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 3huy n ARG 86 Cb 0.00 0.00 -0.07 0.00 -3.04 0.00 0.00 32.46 29.35 3huy n ARG 86 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3huy s VAL 87 N 0.00 -0.49 0.47 8.89 1.01 -1.18 -4.89 120.40 124.20 3huy s VAL 87 Ca 0.00 -0.58 0.34 0.00 0.00 0.00 0.00 61.98 61.75 3huy s VAL 87 Cb 0.00 -0.81 0.50 0.00 0.00 0.00 0.00 36.38 36.08 3huy s VAL 87 CO 0.00 -0.42 1.19 1.17 0.00 0.00 0.00 175.10 177.04 3huy n LYS 88 N 4.87 0.00 -0.03 2.72 3.00 -1.26 -0.76 118.16 126.71 3huy n LYS 88 Ca 0.05 0.86 -0.17 0.00 -0.00 0.00 0.00 58.31 59.04 3huy n LYS 88 Cb 0.48 -2.04 -0.13 0.00 0.00 0.00 0.00 35.03 33.33 3huy n LYS 88 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3huy h ASP 89 N 0.00 0.19 -3.66 3.14 5.19 -1.97 -3.43 116.42 115.88 3huy h ASP 89 Ca 0.64 -0.93 -0.78 0.00 -0.62 0.00 0.00 57.03 55.34 3huy h ASP 89 Cb 2.83 -0.06 -0.26 0.00 0.18 0.00 0.00 39.33 42.02 3huy h ASP 89 CO -0.01 1.24 -0.00 -0.76 -3.12 0.00 0.00 179.24 176.59 3huy s LEU 90 N -8.01 6.56 0.34 1.55 1.43 0.06 -2.29 118.68 118.31 3huy s LEU 90 Ca -0.18 -2.47 -0.29 0.00 -1.03 0.00 0.00 54.13 50.15 3huy s LEU 90 Cb -0.00 -2.19 -0.11 0.00 0.03 0.00 0.00 46.19 43.91 3huy s LEU 90 CO 0.74 -0.63 1.51 -2.65 0.23 0.00 0.00 176.35 175.54 3huy n PRO 91 N 4.27 2.62 0.00 1.29 -0.02 -1.26 -1.44 135.00 140.46 3huy n PRO 91 Ca 0.07 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3huy n PRO 91 Cb 0.45 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3huy n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huy n GLY 92 N 1.18 2.52 3.49 -1.23 0.00 -1.26 -5.01 105.19 104.89 3huy n GLY 92 Ca 0.05 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3huy n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huy s VAL 93 N -2.15 4.17 -0.93 1.61 1.01 -0.52 -4.62 120.40 118.98 3huy s VAL 93 Ca 0.00 -0.02 0.22 0.00 0.00 0.00 0.00 61.98 62.18 3huy s VAL 93 Cb 0.00 -4.72 -0.20 0.00 0.00 0.00 0.00 36.38 31.46 3huy s VAL 93 CO 0.00 -1.50 0.95 0.54 0.00 0.00 0.00 175.10 175.09 3huy n ARG 94 N 8.12 0.05 -4.46 2.72 1.74 -1.25 -3.08 116.66 120.50 3huy n ARG 94 Ca -0.01 -0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 3huy n ARG 94 Cb 0.47 -1.51 -0.11 0.00 -1.02 0.00 0.00 32.46 30.30 3huy n ARG 94 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3huy s TYR 95 N -3.04 2.01 0.03 -1.55 1.51 -1.25 -2.46 117.35 112.60 3huy s TYR 95 Ca 0.07 -0.83 0.08 0.00 -1.01 0.00 0.00 57.07 55.38 3huy s TYR 95 Cb 0.16 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 3huy s TYR 95 CO 0.85 0.16 -0.23 -1.01 -1.11 0.00 0.00 175.55 174.20 3huy s HIS 96 N -3.13 2.03 0.46 2.71 3.76 -1.26 -1.05 115.29 118.82 3huy s HIS 96 Ca 0.33 -0.39 -0.12 0.00 -0.15 0.00 0.00 55.06 54.74 3huy s HIS 96 Cb 0.07 -1.24 -0.06 0.00 1.11 0.00 0.00 32.58 32.46 3huy s HIS 96 CO 0.14 0.07 0.86 0.42 -0.85 0.00 0.00 174.74 175.38 3huy s ILE 97 N -0.73 4.72 -0.66 0.60 1.01 0.17 0.19 121.20 126.50 3huy s ILE 97 Ca 0.09 0.78 -0.15 0.00 0.00 0.00 0.00 60.65 61.37 3huy s ILE 97 Cb -0.09 -3.75 0.17 0.00 0.01 0.00 0.00 42.46 38.79 3huy s ILE 97 CO 0.01 -0.65 0.62 -0.69 0.00 0.00 0.00 174.94 174.23 3huy s VAL 98 N -2.55 5.36 0.32 2.92 1.01 -0.06 -4.68 120.40 122.73 3huy s VAL 98 Ca 0.53 -1.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.38 3huy s VAL 98 Cb -0.10 -4.40 -0.14 0.00 0.00 0.00 0.00 36.38 31.74 3huy s VAL 98 CO 0.34 -0.94 0.75 0.54 0.00 0.00 0.00 175.10 175.79 3huy n ARG 99 N 4.77 0.81 -1.19 2.72 5.12 -1.26 -2.67 116.66 124.95 3huy n ARG 99 Ca -0.03 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 3huy n ARG 99 Cb 0.43 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 3huy n ARG 99 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3huy n GLY 100 N 1.57 0.45 2.93 -0.13 0.00 0.81 -3.71 105.19 107.12 3huy n GLY 100 Ca 0.12 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 3huy n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huy s VAL 101 N -2.00 0.60 0.00 1.61 1.01 -0.42 -4.84 120.40 116.36 3huy s VAL 101 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3huy s VAL 101 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.80 3huy s VAL 101 CO 0.00 0.22 0.00 -1.22 0.00 0.00 0.00 175.10 174.10 3huy n TYR 102 N 3.69 0.00 -0.01 5.22 0.53 -1.26 -2.29 117.16 123.04 3huy n TYR 102 Ca -0.22 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.72 3huy n TYR 102 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 39.34 38.72 3huy n TYR 102 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3huy n ASP 103 N 9.61 1.57 -4.57 7.72 8.00 -1.10 -4.85 116.55 132.94 3huy n ASP 103 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 3huy n ASP 103 Cb 0.00 1.63 -0.03 0.00 -0.02 0.00 0.00 41.12 42.70 3huy n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3huy s ALA 104 N -2.99 2.59 0.68 2.24 0.00 -0.97 -4.65 121.76 118.66 3huy s ALA 104 Ca -0.06 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 3huy s ALA 104 Cb 0.09 -4.16 -0.00 0.00 0.00 0.00 0.00 23.12 19.05 3huy s ALA 104 CO 0.62 -3.22 1.06 0.00 0.00 0.00 0.00 175.76 174.21 3huy s ALA 105 N 7.31 2.78 0.78 0.00 0.00 -1.26 -0.13 121.76 131.24 3huy s ALA 105 Ca 0.63 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 3huy s ALA 105 Cb -0.14 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 19.90 3huy s ALA 105 CO 0.25 -1.11 1.09 0.20 0.00 0.00 0.00 175.76 176.19 3huy s GLY 106 N -3.92 1.66 0.13 0.00 0.00 -1.25 -3.38 107.32 100.56 3huy s GLY 106 Ca 0.57 0.19 -0.31 0.00 0.00 0.00 0.00 44.72 45.17 3huy s GLY 106 CO 0.55 0.55 1.37 0.14 0.00 0.00 0.00 173.10 175.71 3huy s VAL 107 N -2.93 3.31 0.16 1.40 1.01 -1.12 -4.91 120.40 117.32 3huy s VAL 107 Ca 0.61 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 3huy s VAL 107 Cb -0.17 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 3huy s VAL 107 CO 0.56 0.09 1.09 -0.75 0.00 0.00 0.00 175.10 176.09 3huy s LYS 108 N 0.88 4.59 0.00 2.72 2.20 -1.26 -3.50 119.74 125.36 3huy s LYS 108 Ca 0.63 1.69 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 3huy s LYS 108 Cb -0.36 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 3huy s LYS 108 CO 0.32 0.06 0.00 -0.25 -0.36 0.00 0.00 175.35 175.12 3huy n ASP 109 N 2.55 0.00 -4.69 1.43 10.43 -1.26 -5.00 116.55 120.02 3huy n ASP 109 Ca 0.03 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.97 3huy n ASP 109 Cb 0.47 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.40 3huy n ASP 109 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3huy s ARG 110 N -0.11 4.15 -0.00 -1.24 6.06 -1.23 -4.82 118.95 121.76 3huy s ARG 110 Ca 0.00 2.55 0.01 0.00 -2.50 0.00 0.00 55.73 55.78 3huy s ARG 110 Cb 0.00 -3.65 -0.01 0.00 0.06 0.00 0.00 34.95 31.36 3huy s ARG 110 CO 0.00 -0.83 0.01 1.63 -2.50 0.00 0.00 175.30 173.61 3huy n LYS 111 N 5.84 0.08 -3.86 5.12 5.02 -1.26 -4.91 118.16 124.18 3huy n LYS 111 Ca 0.18 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 56.09 3huy n LYS 111 Cb 0.39 -1.01 -0.06 0.00 -0.02 0.00 0.00 35.03 34.32 3huy n LYS 111 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3huy s LYS 112 N -2.04 3.54 -0.92 1.97 1.02 -1.26 -4.59 119.74 117.46 3huy s LYS 112 Ca -0.00 -0.14 -0.12 0.00 0.02 0.00 0.00 55.97 55.73 3huy s LYS 112 Cb 0.00 -3.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 3huy s LYS 112 CO 0.02 0.72 0.60 -1.13 -0.92 0.00 0.00 175.35 174.64 3huy n SER 113 N 2.18 -4.33 -0.90 2.83 3.41 -1.26 -4.82 113.62 110.74 3huy n SER 113 Ca -0.19 -1.05 0.05 0.00 -0.26 0.00 0.00 58.87 57.41 3huy n SER 113 Cb 0.55 -1.51 0.18 0.00 -0.26 0.00 0.00 64.21 63.16 3huy n SER 113 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3huy n ARG 114 N -3.35 2.33 0.04 4.33 1.74 -1.26 -3.62 116.66 116.87 3huy n ARG 114 Ca -0.24 -1.41 -0.10 0.00 -0.77 0.00 0.00 57.85 55.32 3huy n ARG 114 Cb 0.62 -1.55 -0.13 0.00 -1.02 0.00 0.00 32.46 30.37 3huy n ARG 114 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3huy h SER 115 N 2.04 0.11 -3.27 0.55 4.64 -1.87 -1.55 113.55 114.20 3huy h SER 115 Ca 0.00 -0.15 -0.57 0.00 -0.47 0.00 0.00 61.79 60.60 3huy h SER 115 Cb 0.82 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.84 3huy h SER 115 CO 0.11 1.12 -0.16 -0.54 -0.87 0.00 0.00 176.83 176.49 3huy s LYS 116 N -2.66 3.83 0.00 4.77 1.02 -1.24 -3.48 119.74 121.99 3huy s LYS 116 Ca -0.03 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.24 3huy s LYS 116 Cb 0.09 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3huy s LYS 116 CO 0.83 0.46 0.00 0.66 -0.92 0.00 0.00 175.35 176.39 3huy n TYR 117 N 0.54 0.00 -2.60 3.18 0.53 -1.26 -4.45 117.16 113.09 3huy n TYR 117 Ca -0.04 0.00 -0.18 0.00 -1.02 0.00 0.00 57.90 56.65 3huy n TYR 117 Cb 0.52 -0.27 0.01 0.00 -1.03 0.00 0.00 39.34 38.58 3huy n TYR 117 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3huy n GLY 118 N -2.11 -0.16 3.08 2.72 0.00 -1.23 -2.80 105.19 104.68 3huy n GLY 118 Ca 0.00 0.51 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 3huy n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3huy s THR 119 N -1.35 2.00 1.05 2.61 2.01 -0.58 -3.91 115.64 117.47 3huy s THR 119 Ca 0.13 -1.19 -0.17 0.00 0.31 0.00 0.00 61.69 60.77 3huy s THR 119 Cb -0.01 -1.97 0.06 0.00 0.01 0.00 0.00 72.50 70.59 3huy s THR 119 CO 0.46 0.27 0.05 0.29 -0.69 0.00 0.00 174.62 175.00 3huy n LYS 120 N 4.57 -1.03 -1.80 4.92 4.76 -1.26 -4.73 118.16 123.58 3huy n LYS 120 Ca -0.17 -0.28 -0.42 0.00 -2.87 0.00 0.00 58.31 54.57 3huy n LYS 120 Cb 0.47 -1.70 -0.03 0.00 -1.84 0.00 0.00 35.03 31.93 3huy n LYS 120 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3huy s LYS 121 N -3.40 3.82 -0.71 1.97 2.47 -1.26 -4.83 119.74 117.80 3huy s LYS 121 Ca 0.55 2.20 -0.26 0.00 -1.56 0.00 0.00 55.97 56.90 3huy s LYS 121 Cb -0.14 -4.16 -0.13 0.00 -1.46 0.00 0.00 37.83 31.94 3huy s LYS 121 CO 0.67 -1.30 2.42 -0.35 0.16 0.00 0.00 175.35 176.95 3huy n PRO 122 N 7.81 0.68 -1.97 4.03 -0.04 -1.26 -4.88 135.00 139.36 3huy n PRO 122 Ca 0.22 -0.58 -0.42 0.00 -0.04 0.00 0.00 63.50 62.68 3huy n PRO 122 Cb 0.43 -3.54 -0.03 0.00 -0.04 0.00 0.00 33.50 30.32 3huy n PRO 122 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3huy s LYS 123 N 8.70 4.24 -0.61 0.54 2.47 -1.26 -4.72 119.74 129.10 3huy s LYS 123 Ca 0.96 2.33 -0.05 0.00 -1.56 0.00 0.00 55.97 57.65 3huy s LYS 123 Cb -0.17 -3.14 -0.21 0.00 -1.46 0.00 0.00 37.83 32.86 3huy s LYS 123 CO 0.15 -0.52 1.51 0.39 0.16 0.00 0.00 175.35 177.04 3huy n GLU 124 N 3.23 0.00 -0.47 4.03 4.71 -1.26 -4.73 120.64 126.15 3huy n GLU 124 Ca 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 57.12 3huy n GLU 124 Cb 0.39 -0.81 -0.01 0.00 -1.01 0.00 0.00 31.44 30.00 3huy n GLU 124 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3huy n ALA 125 N 4.27 3.37 0.00 0.62 0.00 -1.26 -5.33 120.51 122.18 3huy n ALA 125 Ca 0.41 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3huy n ALA 125 Cb 0.19 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 16.84 3huy n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50