#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2v s ARG 1 N 0.00 1.31 0.00 1.43 0.52 -1.26 -1.62 118.95 119.32 3i2v s ARG 1 Ca 0.00 -1.67 0.00 0.00 -0.52 0.00 0.00 55.73 53.54 3i2v s ARG 1 Cb 0.00 -0.46 -0.00 0.00 0.52 0.00 0.00 34.95 35.01 3i2v s ARG 1 CO 0.00 -0.15 -0.01 0.54 0.02 0.00 0.00 175.30 175.70 3i2v s VAL 2 N -3.55 0.05 0.68 3.52 0.11 0.34 -4.80 120.40 116.76 3i2v s VAL 2 Ca 0.30 -0.20 -0.14 0.00 -2.93 0.00 0.00 61.98 59.00 3i2v s VAL 2 Cb 0.06 -0.08 0.01 0.00 -1.53 0.00 0.00 36.38 34.84 3i2v s VAL 2 CO 0.09 -0.10 1.10 -0.94 -3.33 0.00 0.00 175.10 171.92 3i2v s SER 3 N -0.31 5.02 0.33 3.54 1.04 -1.26 -1.15 113.70 120.91 3i2v s SER 3 Ca -0.03 1.94 0.07 0.00 0.48 0.00 0.00 55.95 58.42 3i2v s SER 3 Cb -0.02 -2.54 0.59 0.00 0.10 0.00 0.00 66.02 64.14 3i2v s SER 3 CO -0.00 -1.69 1.79 1.62 0.98 0.00 0.00 173.24 175.94 3i2v h VAL 4 N -0.21 1.25 -0.13 5.02 3.04 -1.94 -0.64 116.25 122.65 3i2v h VAL 4 Ca -0.46 -1.20 -0.18 0.00 -1.01 0.00 0.00 66.70 63.86 3i2v h VAL 4 Cb 1.24 1.46 -0.00 0.00 -2.01 0.00 0.00 31.29 31.98 3i2v h VAL 4 CO 0.54 0.36 -0.66 0.71 -1.01 0.00 0.00 177.57 177.51 3i2v h THR 5 N 0.23 1.35 -0.62 3.17 1.35 -1.95 -0.63 112.91 115.80 3i2v h THR 5 Ca 0.03 -1.98 -0.09 0.00 -0.55 0.00 0.00 66.41 63.83 3i2v h THR 5 Cb 0.62 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.97 3i2v h THR 5 CO 0.04 0.61 0.04 0.44 -0.25 0.00 0.00 175.52 176.40 3i2v h ASP 6 N 0.36 1.03 -0.52 5.36 3.32 -1.87 -1.82 116.42 122.28 3i2v h ASP 6 Ca -0.02 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 3i2v h ASP 6 Cb 1.22 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 3i2v h ASP 6 CO 0.12 1.06 0.19 0.22 -1.72 0.00 0.00 179.24 179.11 3i2v h TYR 7 N 0.98 0.80 -0.95 4.55 3.20 -0.90 -1.29 116.97 123.36 3i2v h TYR 7 Ca 0.18 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3i2v h TYR 7 Cb 0.51 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 3i2v h TYR 7 CO 0.04 0.67 0.58 -0.22 -1.64 0.00 0.00 178.16 177.59 3i2v h LYS 8 N 0.70 1.28 -0.43 1.82 1.63 -0.96 0.61 116.57 121.23 3i2v h LYS 8 Ca 0.17 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 3i2v h LYS 8 Cb 0.22 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 3i2v h LYS 8 CO -0.01 0.89 0.12 0.00 -3.45 0.00 0.00 179.45 177.00 3i2v h ARG 9 N 1.31 0.67 -0.54 1.90 3.08 -1.01 -0.37 114.38 119.42 3i2v h ARG 9 Ca 0.34 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.28 3i2v h ARG 9 Cb -0.07 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 3i2v h ARG 9 CO -0.07 0.67 0.29 1.25 -1.07 0.00 0.00 179.97 181.05 3i2v h LEU 10 N 0.55 0.44 -0.56 3.04 5.85 -0.84 -1.90 115.31 121.89 3i2v h LEU 10 Ca 0.14 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3i2v h LEU 10 Cb 0.29 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3i2v h LEU 10 CO -0.00 0.30 0.35 0.25 -0.34 0.00 0.00 178.44 179.00 3i2v h LEU 11 N 0.57 0.58 -0.68 2.25 5.85 -0.53 -2.39 115.31 120.95 3i2v h LEU 11 Ca 0.23 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3i2v h LEU 11 Cb 0.11 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3i2v h LEU 11 CO -0.15 0.41 0.00 0.44 -0.34 0.00 0.00 178.44 178.80 3i2v h ASP 12 N 0.69 0.00 0.98 1.25 3.32 -0.78 -1.99 116.42 119.89 3i2v h ASP 12 Ca 0.22 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 3i2v h ASP 12 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3i2v h ASP 12 CO -0.08 0.00 -0.18 0.77 -1.72 0.00 0.00 179.24 178.03 3i2v h SER 13 N 0.00 0.00 0.00 6.45 4.64 -0.81 -3.47 113.55 120.36 3i2v h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i2v h SER 13 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3i2v h SER 13 CO 0.00 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 3i2v n GLY 14 N 0.16 0.44 3.76 -0.77 0.00 -0.75 -5.01 105.19 103.02 3i2v n GLY 14 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3i2v n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2v s ALA 15 N -2.07 2.87 0.25 4.61 0.00 -1.26 -4.92 121.76 121.25 3i2v s ALA 15 Ca 0.00 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 3i2v s ALA 15 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 3i2v s ALA 15 CO 0.00 -0.92 1.44 0.12 0.00 0.00 0.00 175.76 176.40 3i2v s PHE 16 N -1.49 3.02 0.28 0.00 5.36 -1.26 -4.93 117.98 118.96 3i2v s PHE 16 Ca 0.68 1.02 -0.20 0.00 -0.96 0.00 0.00 56.93 57.46 3i2v s PHE 16 Cb -0.32 -3.82 0.04 0.00 -0.34 0.00 0.00 43.02 38.58 3i2v s PHE 16 CO 0.38 -2.68 0.79 -3.38 -1.46 0.00 0.00 175.22 168.86 3i2v s HIS 17 N 0.03 -0.10 -0.10 10.12 -3.43 -1.26 -4.69 115.29 115.86 3i2v s HIS 17 Ca 0.60 -0.39 0.04 0.00 -0.80 0.00 0.00 55.06 54.50 3i2v s HIS 17 Cb -0.42 0.73 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 3i2v s HIS 17 CO 0.43 -1.25 -0.22 -0.51 -2.00 0.00 0.00 174.74 171.20 3i2v s LEU 18 N -2.98 2.00 -0.23 5.38 1.43 -0.60 -5.04 118.68 118.65 3i2v s LEU 18 Ca 0.13 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 3i2v s LEU 18 Cb -0.05 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 3i2v s LEU 18 CO 0.07 0.13 0.34 -0.22 0.23 0.00 0.00 176.35 176.90 3i2v s LEU 19 N 0.44 4.11 -0.27 1.79 2.96 -1.26 -0.61 118.68 125.84 3i2v s LEU 19 Ca -0.17 0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 54.01 3i2v s LEU 19 Cb -0.17 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 3i2v s LEU 19 CO 0.07 -0.08 0.10 -0.76 -1.32 0.00 0.00 176.35 174.36 3i2v s LEU 20 N 1.52 3.69 -0.33 -0.68 1.43 0.12 -0.23 118.68 124.21 3i2v s LEU 20 Ca 0.15 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 3i2v s LEU 20 Cb -0.15 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 3i2v s LEU 20 CO 0.08 -0.08 0.60 -0.62 0.23 0.00 0.00 176.35 176.56 3i2v s ASP 21 N 1.63 6.43 -0.17 2.29 -1.08 0.10 -0.86 116.67 125.01 3i2v s ASP 21 Ca 0.06 0.26 0.16 0.00 -0.52 0.00 0.00 52.55 52.51 3i2v s ASP 21 Cb -0.16 -2.31 0.60 0.00 -1.46 0.00 0.00 42.92 39.59 3i2v s ASP 21 CO 0.05 -0.50 1.50 1.33 0.52 0.00 0.00 175.17 178.07 3i2v n VAL 22 N 5.45 2.24 -1.58 1.11 0.24 -0.70 -1.18 118.33 123.91 3i2v n VAL 22 Ca -0.02 -1.62 -0.31 0.00 -2.04 0.00 0.00 64.34 60.34 3i2v n VAL 22 Cb 0.49 -0.15 0.05 0.00 -1.47 0.00 0.00 33.84 32.76 3i2v n VAL 22 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i2v s ARG 23 N -2.55 2.83 0.83 7.34 0.52 -1.26 -0.82 118.95 125.84 3i2v s ARG 23 Ca 0.44 1.06 -0.11 0.00 -0.52 0.00 0.00 55.73 56.61 3i2v s ARG 23 Cb 0.34 -1.97 0.09 0.00 0.52 0.00 0.00 34.95 33.93 3i2v s ARG 23 CO 0.13 -1.19 1.10 -1.25 0.02 0.00 0.00 175.30 174.11 3i2v s PRO 24 N -4.83 1.77 0.28 3.54 0.05 -1.26 -4.27 135.00 130.29 3i2v s PRO 24 Ca 0.60 1.22 0.02 0.00 0.05 0.00 0.00 61.00 62.89 3i2v s PRO 24 Cb -0.15 -1.84 0.62 0.00 0.05 0.00 0.00 34.50 33.18 3i2v s PRO 24 CO 0.52 -2.00 1.78 0.37 0.05 0.00 0.00 177.00 177.71 3i2v h GLN 25 N -1.39 0.71 -0.79 4.56 5.75 -1.99 -1.94 115.11 120.02 3i2v h GLN 25 Ca -0.44 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.03 3i2v h GLN 25 Cb 1.25 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.60 3i2v h GLN 25 CO 0.49 0.47 0.52 -0.24 -2.65 0.00 0.00 178.83 177.42 3i2v h VAL 26 N 0.73 1.18 -0.07 2.39 3.04 -2.00 0.43 116.25 121.95 3i2v h VAL 26 Ca 0.51 -0.36 -0.19 0.00 -1.01 0.00 0.00 66.70 65.66 3i2v h VAL 26 Cb 0.73 0.04 0.01 0.00 -2.01 0.00 0.00 31.29 30.07 3i2v h VAL 26 CO -0.36 0.19 -0.70 -0.33 -1.01 0.00 0.00 177.57 175.36 3i2v h GLU 27 N 1.04 0.60 -0.15 4.17 5.08 -1.73 -3.18 114.58 120.42 3i2v h GLU 27 Ca 0.30 -0.55 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3i2v h GLU 27 Cb -0.08 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3i2v h GLU 27 CO -0.07 1.17 -0.00 0.28 -1.00 0.00 0.00 179.01 179.39 3i2v h VAL 28 N 0.22 1.10 0.00 3.13 2.07 -1.07 -1.54 116.25 120.16 3i2v h VAL 28 Ca -0.07 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 3i2v h VAL 28 Cb 1.36 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3i2v h VAL 28 CO 0.14 0.13 -0.23 0.44 0.02 0.00 0.00 177.57 178.07 3i2v h ASP 29 N 0.22 0.00 0.06 0.57 3.32 -0.91 -3.06 116.42 116.61 3i2v h ASP 29 Ca 0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3i2v h ASP 29 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3i2v h ASP 29 CO 0.00 0.23 -0.03 0.40 -1.72 0.00 0.00 179.24 178.12 3i2v h ILE 30 N 0.00 1.23 -2.24 0.35 2.04 -1.29 -3.49 117.51 114.12 3i2v h ILE 30 Ca -0.00 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 3i2v h ILE 30 Cb 0.57 2.15 -0.17 0.00 -0.74 0.00 0.00 36.82 38.63 3i2v h ILE 30 CO 0.03 0.35 0.27 0.00 0.00 0.00 0.00 178.15 178.80 3i2v s ARG 32 N -2.05 1.31 -0.28 0.00 1.70 -1.26 -4.41 118.95 113.95 3i2v s ARG 32 Ca -0.05 -0.51 -0.26 0.00 -0.47 0.00 0.00 55.73 54.44 3i2v s ARG 32 Cb -0.00 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 34.97 3i2v s ARG 32 CO 0.01 -0.57 0.90 -0.51 -1.08 0.00 0.00 175.30 174.05 3i2v s LEU 33 N -2.76 4.05 0.58 -1.89 1.43 -1.26 -4.97 118.68 113.86 3i2v s LEU 33 Ca 0.02 0.96 0.27 0.00 -1.03 0.00 0.00 54.13 54.35 3i2v s LEU 33 Cb -0.01 -3.28 1.71 0.00 0.03 0.00 0.00 46.19 44.64 3i2v s LEU 33 CO -0.12 -0.66 2.21 -0.65 0.23 0.00 0.00 176.35 177.37 3i2v h PRO 34 N 7.89 0.00 0.00 1.29 0.11 -2.03 -1.84 132.00 137.42 3i2v h PRO 34 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3i2v h PRO 34 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3i2v h PRO 34 CO 0.93 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.33 3i2v n HIS 35 N -3.95 0.79 -2.41 0.65 1.44 -1.26 -4.88 115.22 105.60 3i2v n HIS 35 Ca -0.02 0.24 -0.34 0.00 -2.01 0.00 0.00 57.72 55.59 3i2v n HIS 35 Cb 0.13 -0.90 -0.02 0.00 0.12 0.00 0.00 29.99 29.33 3i2v n HIS 35 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3i2v s ALA 36 N -3.12 2.80 -0.11 1.59 0.00 -0.69 -4.71 121.76 117.51 3i2v s ALA 36 Ca 0.10 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 52.54 3i2v s ALA 36 Cb 0.12 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3i2v s ALA 36 CO 0.55 -0.50 0.51 -1.17 0.00 0.00 0.00 175.76 175.14 3i2v s LEU 37 N -3.66 4.28 -0.34 0.00 2.96 0.69 -4.89 118.68 117.71 3i2v s LEU 37 Ca 0.69 0.86 -0.20 0.00 -0.22 0.00 0.00 54.13 55.26 3i2v s LEU 37 Cb -0.19 -2.75 -0.00 0.00 0.50 0.00 0.00 46.19 43.76 3i2v s LEU 37 CO 0.23 -0.01 0.62 -2.28 -1.32 0.00 0.00 176.35 173.59 3i2v s HIS 38 N 0.65 3.17 -0.28 5.38 5.65 -1.26 -0.72 115.29 127.87 3i2v s HIS 38 Ca 0.27 0.38 -0.03 0.00 0.25 0.00 0.00 55.06 55.94 3i2v s HIS 38 Cb -0.15 -3.09 0.10 0.00 -1.18 0.00 0.00 32.58 28.25 3i2v s HIS 38 CO 0.11 -0.59 0.11 0.42 -0.65 0.00 0.00 174.74 174.15 3i2v s ILE 39 N 2.66 0.24 0.45 0.89 1.01 -0.33 -4.96 121.20 121.17 3i2v s ILE 39 Ca 0.24 -0.91 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 3i2v s ILE 39 Cb -0.15 -1.17 -0.09 0.00 0.01 0.00 0.00 42.46 41.07 3i2v s ILE 39 CO 0.14 -0.66 1.26 -2.65 0.00 0.00 0.00 174.94 173.03 3i2v n PRO 40 N 5.12 1.83 -0.28 2.79 -0.02 -1.26 -4.02 135.00 139.16 3i2v n PRO 40 Ca -0.05 0.66 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 3i2v n PRO 40 Cb 0.43 -2.39 0.24 0.00 -0.02 0.00 0.00 33.50 31.75 3i2v n PRO 40 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i2v h LEU 41 N 1.89 -0.02 -1.62 2.45 5.85 -1.22 -0.16 115.31 122.49 3i2v h LEU 41 Ca -0.48 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3i2v h LEU 41 Cb 1.30 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.56 3i2v h LEU 41 CO 0.59 -0.11 0.22 0.11 -0.34 0.00 0.00 178.44 178.91 3i2v h LYS 42 N 0.23 0.48 -0.47 1.25 1.79 -1.89 0.52 116.57 118.48 3i2v h LYS 42 Ca 0.49 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.83 3i2v h LYS 42 Cb 0.92 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 3i2v h LYS 42 CO -0.60 0.33 -0.10 0.45 -1.08 0.00 0.00 179.45 178.45 3i2v h HIS 43 N 0.49 0.92 -0.29 -1.35 3.86 -1.37 -0.28 115.15 117.13 3i2v h HIS 43 Ca 0.13 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 59.10 3i2v h HIS 43 Cb -0.03 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 3i2v h HIS 43 CO 0.00 0.89 -0.08 -0.07 0.86 0.00 0.00 177.93 179.54 3i2v h LEU 44 N 0.76 0.57 -0.59 2.43 3.38 -0.93 0.13 115.31 121.07 3i2v h LEU 44 Ca 0.13 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.77 3i2v h LEU 44 Cb 0.60 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3i2v h LEU 44 CO 0.04 0.81 0.33 -0.33 0.09 0.00 0.00 178.44 179.38 3i2v h GLU 45 N 0.33 0.61 -0.53 1.13 5.08 -0.72 -2.56 114.58 117.92 3i2v h GLU 45 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3i2v h GLU 45 Cb 0.57 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3i2v h GLU 45 CO 0.03 0.40 0.00 0.54 -1.00 0.00 0.00 179.01 178.98 3i2v n ARG 46 N -4.81 2.23 -3.82 2.33 1.74 -0.13 -4.95 116.66 109.25 3i2v n ARG 46 Ca 0.06 -1.90 -0.24 0.00 -0.77 0.00 0.00 57.85 55.00 3i2v n ARG 46 Cb 0.14 -1.41 0.02 0.00 -1.02 0.00 0.00 32.46 30.18 3i2v n ARG 46 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i2v n ARG 47 N 1.04 -4.56 -1.60 5.56 5.12 -0.66 -4.84 116.66 116.71 3i2v n ARG 47 Ca 0.18 0.56 -0.47 0.00 -1.93 0.00 0.00 57.85 56.18 3i2v n ARG 47 Cb 0.45 -5.07 -0.05 0.00 -1.16 0.00 0.00 32.46 26.63 3i2v n ARG 47 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3i2v n ASP 48 N -2.99 3.13 0.06 0.55 2.03 -0.06 -4.82 116.55 114.46 3i2v n ASP 48 Ca -0.23 0.59 0.01 0.00 0.52 0.00 0.00 54.79 55.67 3i2v n ASP 48 Cb 0.65 -1.41 0.33 0.00 -0.72 0.00 0.00 41.12 39.97 3i2v n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i2v h ALA 49 N 11.93 1.41 -0.36 -1.67 0.00 -1.90 -2.45 119.26 126.22 3i2v h ALA 49 Ca -0.41 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 3i2v h ALA 49 Cb 1.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3i2v h ALA 49 CO 0.97 0.41 -0.29 0.93 0.00 0.00 0.00 179.25 181.27 3i2v h GLU 50 N 0.35 0.76 0.00 0.00 3.07 -1.99 -1.17 114.58 115.60 3i2v h GLU 50 Ca 0.07 -0.34 -0.17 0.00 -0.50 0.00 0.00 59.36 58.42 3i2v h GLU 50 Cb 0.39 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3i2v h GLU 50 CO 0.02 0.96 -0.80 0.66 -1.40 0.00 0.00 179.01 178.44 3i2v h SER 51 N 0.65 0.00 -0.76 1.42 4.64 -1.89 -0.84 113.55 116.78 3i2v h SER 51 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3i2v h SER 51 Cb 0.81 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 3i2v h SER 51 CO 0.07 0.80 0.37 0.25 -0.87 0.00 0.00 176.83 177.45 3i2v h LEU 52 N 0.00 0.99 -0.53 5.97 5.85 -1.26 -1.82 115.31 124.51 3i2v h LEU 52 Ca -0.01 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3i2v h LEU 52 Cb 1.45 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3i2v h LEU 52 CO 0.10 0.85 0.26 0.50 -0.34 0.00 0.00 178.44 179.82 3i2v h LYS 53 N 1.07 0.75 -0.70 1.25 3.64 -1.01 -0.95 116.57 120.63 3i2v h LYS 53 Ca 0.26 -0.10 0.09 0.00 -1.27 0.00 0.00 60.65 59.63 3i2v h LYS 53 Cb 0.12 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 3i2v h LYS 53 CO -0.03 0.61 0.34 1.25 -2.27 0.00 0.00 179.45 179.35 3i2v h LEU 54 N 0.71 0.45 -0.16 5.20 5.85 -0.73 0.02 115.31 126.64 3i2v h LEU 54 Ca 0.18 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 3i2v h LEU 54 Cb 0.10 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3i2v h LEU 54 CO -0.02 0.26 -0.02 0.25 -0.34 0.00 0.00 178.44 178.57 3i2v h LEU 55 N 0.59 0.29 -0.86 2.25 5.85 -0.97 -1.33 115.31 121.14 3i2v h LEU 55 Ca 0.34 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 58.82 3i2v h LEU 55 Cb 0.36 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3i2v h LEU 55 CO -0.27 0.56 0.51 0.11 -0.34 0.00 0.00 178.44 179.01 3i2v h LYS 56 N 0.02 0.85 -0.62 1.25 1.57 -0.98 -1.97 116.57 116.69 3i2v h LYS 56 Ca 0.04 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3i2v h LYS 56 Cb 0.42 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3i2v h LYS 56 CO 0.01 0.56 0.07 0.93 -0.57 0.00 0.00 179.45 180.45 3i2v h GLU 57 N 0.87 1.05 -0.73 3.15 5.08 -0.80 -0.53 114.58 122.67 3i2v h GLU 57 Ca 0.40 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3i2v h GLU 57 Cb 0.32 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3i2v h GLU 57 CO -0.23 0.99 0.37 0.00 -1.00 0.00 0.00 179.01 179.14 3i2v h ALA 58 N 1.02 0.93 -0.41 3.43 0.00 -0.89 -1.19 119.26 122.15 3i2v h ALA 58 Ca 0.19 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3i2v h ALA 58 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3i2v h ALA 58 CO 0.02 0.48 0.02 0.82 0.00 0.00 0.00 179.25 180.59 3i2v h ILE 59 N 1.01 1.26 -0.37 0.00 2.04 -1.20 -3.05 117.51 117.19 3i2v h ILE 59 Ca 0.25 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3i2v h ILE 59 Cb 0.09 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3i2v h ILE 59 CO -0.03 0.33 0.05 -0.25 0.00 0.00 0.00 178.15 178.25 3i2v h TRP 60 N 0.55 0.57 -0.98 1.37 2.91 -0.84 -0.78 115.95 118.75 3i2v h TRP 60 Ca 0.12 -0.04 0.08 0.00 1.13 0.00 0.00 58.89 60.17 3i2v h TRP 60 Cb 0.45 -0.17 -0.07 0.00 -0.51 0.00 0.00 29.16 28.86 3i2v h TRP 60 CO 0.03 0.52 0.63 1.49 -1.03 0.00 0.00 178.44 180.08 3i2v h GLU 61 N 0.54 1.07 0.06 2.65 4.81 -1.10 0.90 114.58 123.50 3i2v h GLU 61 Ca 0.12 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 3i2v h GLU 61 Cb 0.26 -0.24 0.02 0.00 0.63 0.00 0.00 28.75 29.42 3i2v h GLU 61 CO 0.00 0.71 -0.66 1.49 -0.73 0.00 0.00 179.01 179.82 3i2v h GLU 62 N 1.10 0.35 0.00 1.92 4.57 -1.44 -3.42 114.58 117.66 3i2v h GLU 62 Ca 0.44 -0.45 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 3i2v h GLU 62 Cb 0.24 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3i2v h GLU 62 CO -0.19 1.15 -1.69 1.63 -1.18 0.00 0.00 179.01 178.72 3i2v n LYS 63 N -4.20 1.01 -4.03 1.92 4.76 -0.35 -5.03 118.16 112.25 3i2v n LYS 63 Ca -0.12 -0.08 -0.29 0.00 -2.87 0.00 0.00 58.31 54.96 3i2v n LYS 63 Cb 0.72 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.58 3i2v n LYS 63 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3i2v n GLN 64 N -2.15 -3.53 -1.12 1.97 6.02 0.27 -1.95 117.38 116.91 3i2v n GLN 64 Ca -0.09 0.42 -0.04 0.00 -0.01 0.00 0.00 57.00 57.28 3i2v n GLN 64 Cb 0.55 -4.82 -0.02 0.00 1.02 0.00 0.00 30.24 26.98 3i2v n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i2v n GLY 65 N -1.77 0.63 0.00 1.08 0.00 -1.26 -5.10 105.19 98.77 3i2v n GLY 65 Ca -0.16 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3i2v n GLY 65 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i2v n THR 66 N -2.64 0.00 0.00 2.61 -2.24 -0.82 -5.21 114.28 105.97 3i2v n THR 66 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3i2v n THR 66 Cb 0.25 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3i2v n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i2v n ALA 70 N -3.00 -0.70 -1.57 6.98 0.00 -1.26 -4.99 120.51 115.96 3i2v n ALA 70 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 3i2v n ALA 70 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3i2v n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i2v n ALA 71 N 0.00 -0.58 -2.33 0.00 0.00 -1.26 -4.92 120.51 111.42 3i2v n ALA 71 Ca 0.00 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 3i2v n ALA 71 Cb 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 3i2v n ALA 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i2v s VAL 72 N -0.72 3.93 -0.22 0.00 1.01 -0.11 -4.65 120.40 119.65 3i2v s VAL 72 Ca 0.64 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 63.64 3i2v s VAL 72 Cb -0.77 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 3i2v s VAL 72 CO 0.57 0.01 1.36 -2.84 0.00 0.00 0.00 175.10 174.20 3i2v s PRO 73 N 2.14 4.04 -0.14 2.72 0.02 -1.26 -0.74 135.00 141.79 3i2v s PRO 73 Ca 0.60 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.17 3i2v s PRO 73 Cb -0.29 -3.86 -0.01 0.00 0.02 0.00 0.00 34.50 30.36 3i2v s PRO 73 CO 0.25 -0.96 -0.15 0.42 -0.33 0.00 0.00 177.00 176.23 3i2v s ILE 74 N 4.12 2.80 0.07 2.83 -1.09 0.27 -1.55 121.20 128.65 3i2v s ILE 74 Ca 0.59 -0.74 0.07 0.00 -2.23 0.00 0.00 60.65 58.34 3i2v s ILE 74 Cb -0.21 -2.17 -0.04 0.00 -1.58 0.00 0.00 42.46 38.46 3i2v s ILE 74 CO 0.21 0.52 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.99 3i2v s TYR 75 N 0.56 2.66 -0.05 3.97 2.02 0.22 -1.47 117.35 125.27 3i2v s TYR 75 Ca -0.09 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 3i2v s TYR 75 Cb -0.16 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 3i2v s TYR 75 CO 0.04 0.35 -0.13 0.08 -1.57 0.00 0.00 175.55 174.31 3i2v s VAL 76 N -1.07 1.17 0.02 0.71 1.01 -0.02 0.12 120.40 122.35 3i2v s VAL 76 Ca 0.18 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3i2v s VAL 76 Cb -0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3i2v s VAL 76 CO 0.09 0.35 -0.04 -0.51 0.00 0.00 0.00 175.10 174.99 3i2v s ILE 77 N 0.30 0.25 0.00 2.22 2.07 -0.04 -1.16 121.20 124.84 3i2v s ILE 77 Ca -0.08 -0.85 0.00 0.00 -1.41 0.00 0.00 60.65 58.32 3i2v s ILE 77 Cb -0.12 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.11 3i2v s ILE 77 CO 0.02 -0.39 0.00 0.00 -1.91 0.00 0.00 174.94 172.67 3i2v h LYS 79 N 0.00 0.35 0.00 0.00 3.64 -1.94 0.52 116.57 119.13 3i2v h LYS 79 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3i2v h LYS 79 Cb 0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3i2v h LYS 79 CO 0.00 0.29 0.00 1.28 -2.27 0.00 0.00 179.45 178.75 3i2v n LEU 80 N -4.86 0.19 0.00 5.20 4.77 -1.26 -1.96 117.00 119.08 3i2v n LEU 80 Ca -0.03 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3i2v n LEU 80 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3i2v n LEU 80 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3i2v n GLY 81 N 0.47 0.85 0.07 -0.72 0.00 -1.26 -3.69 105.19 100.90 3i2v n GLY 81 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3i2v n GLY 81 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i2v h ASN 82 N 0.00 0.00 -0.47 1.61 2.35 -1.94 -3.38 115.58 113.75 3i2v h ASN 82 Ca 0.00 -0.39 -0.04 0.00 -0.55 0.00 0.00 56.30 55.32 3i2v h ASN 82 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3i2v h ASN 82 CO 0.00 0.84 0.15 0.44 -1.65 0.00 0.00 177.43 177.22 3i2v h ASP 83 N -1.00 0.73 -0.23 5.81 3.32 -1.97 -3.12 116.42 119.96 3i2v h ASP 83 Ca -0.05 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 3i2v h ASP 83 Cb 0.59 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3i2v h ASP 83 CO -0.03 0.70 0.05 0.77 -1.72 0.00 0.00 179.24 179.01 3i2v h SER 84 N 0.77 0.43 -0.81 6.45 4.64 -1.89 -1.67 113.55 121.48 3i2v h SER 84 Ca 0.18 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3i2v h SER 84 Cb 0.24 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 3i2v h SER 84 CO -0.01 0.47 0.51 1.56 -0.87 0.00 0.00 176.83 178.49 3i2v h GLN 85 N 0.46 1.08 -0.41 4.77 4.20 -1.71 -0.04 115.11 123.47 3i2v h GLN 85 Ca 0.11 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3i2v h GLN 85 Cb 0.23 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3i2v h GLN 85 CO 0.00 0.74 -0.20 0.87 -0.67 0.00 0.00 178.83 179.57 3i2v h LYS 86 N 1.11 0.81 -0.48 1.46 1.57 -1.46 -2.97 116.57 116.60 3i2v h LYS 86 Ca 0.29 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3i2v h LYS 86 Cb -0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3i2v h LYS 86 CO -0.06 0.94 -0.11 0.00 -0.57 0.00 0.00 179.45 179.65 3i2v h ALA 87 N 1.06 0.66 -0.48 3.86 0.00 -0.89 -2.84 119.26 120.63 3i2v h ALA 87 Ca 0.10 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.75 3i2v h ALA 87 Cb 0.72 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 3i2v h ALA 87 CO 0.06 0.57 0.10 0.28 0.00 0.00 0.00 179.25 180.25 3i2v h VAL 88 N 0.77 0.74 -0.49 0.00 2.07 -0.96 -1.04 116.25 117.35 3i2v h VAL 88 Ca 0.12 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.62 3i2v h VAL 88 Cb 0.67 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3i2v h VAL 88 CO 0.05 0.04 0.19 0.11 0.02 0.00 0.00 177.57 177.98 3i2v h LYS 89 N 0.23 0.36 -0.51 1.57 1.57 -1.36 -0.39 116.57 118.06 3i2v h LYS 89 Ca 0.24 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 3i2v h LYS 89 Cb 0.31 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3i2v h LYS 89 CO -0.31 0.24 0.15 0.82 -0.57 0.00 0.00 179.45 179.78 3i2v h ILE 90 N 0.37 1.23 -0.72 1.86 2.04 -1.21 -2.04 117.51 119.05 3i2v h ILE 90 Ca 0.23 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 3i2v h ILE 90 Cb 0.23 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3i2v h ILE 90 CO -0.22 0.29 0.24 -0.07 0.00 0.00 0.00 178.15 178.38 3i2v h LEU 91 N 0.69 1.03 -1.31 1.44 3.38 -0.90 -1.11 115.31 118.53 3i2v h LEU 91 Ca 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3i2v h LEU 91 Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3i2v h LEU 91 CO -0.00 0.95 0.18 1.56 0.09 0.00 0.00 178.44 181.22 3i2v h GLN 92 N 1.05 0.65 -0.21 1.13 4.20 -0.93 -1.11 115.11 119.89 3i2v h GLN 92 Ca 0.23 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.70 3i2v h GLN 92 Cb 0.28 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3i2v h GLN 92 CO -0.01 0.54 -0.52 0.77 -0.67 0.00 0.00 178.83 178.94 3i2v h SER 93 N 0.65 0.64 -0.38 1.46 0.02 -0.64 -0.16 113.55 115.15 3i2v h SER 93 Ca 0.16 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 3i2v h SER 93 Cb 0.14 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3i2v h SER 93 CO -0.02 1.04 0.11 -0.07 -1.14 0.00 0.00 176.83 176.76 3i2v h LEU 94 N 0.46 0.56 0.38 5.07 3.38 -0.96 -0.95 115.31 123.24 3i2v h LEU 94 Ca 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3i2v h LEU 94 Cb 1.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3i2v h LEU 94 CO 0.10 0.63 -0.29 -1.28 0.09 0.00 0.00 178.44 177.69 3i2v h SER 95 N 0.46 -0.74 -0.05 -0.43 0.87 -1.11 -1.11 113.55 111.44 3i2v h SER 95 Ca 0.12 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3i2v h SER 95 Cb 0.27 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3i2v h SER 95 CO -0.00 -0.43 0.04 0.00 -0.53 0.00 0.00 176.83 175.90 3i2v h ALA 96 N -0.13 2.03 -0.01 6.23 0.00 -0.88 -0.56 119.26 125.95 3i2v h ALA 96 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i2v h ALA 96 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i2v h ALA 96 CO 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.18 3i2v n ALA 97 N -2.55 2.66 -2.23 0.00 0.00 -0.37 -4.93 120.51 113.10 3i2v n ALA 97 Ca -0.02 -0.32 -0.21 0.00 0.00 0.00 0.00 53.44 52.89 3i2v n ALA 97 Cb 0.13 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 3i2v n ALA 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i2v n GLN 98 N -0.47 -1.61 0.14 0.00 6.02 -0.22 -4.85 117.38 116.38 3i2v n GLN 98 Ca 0.20 1.06 0.07 0.00 -0.01 0.00 0.00 57.00 58.31 3i2v n GLN 98 Cb 0.25 -5.65 0.04 0.00 1.02 0.00 0.00 30.24 25.90 3i2v n GLN 98 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3i2v h GLU 99 N 0.00 0.00 -6.49 -1.09 5.08 -1.44 -3.44 114.58 107.20 3i2v h GLU 99 Ca -0.48 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.25 3i2v h GLU 99 Cb 1.36 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.43 3i2v h GLU 99 CO 0.59 0.21 -0.81 -0.51 -1.00 0.00 0.00 179.01 177.49 3i2v s LEU 100 N -6.03 2.45 0.94 1.33 1.43 -1.09 -5.00 118.68 112.72 3i2v s LEU 100 Ca 0.03 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.12 3i2v s LEU 100 Cb 0.07 -1.12 0.06 0.00 0.03 0.00 0.00 46.19 45.23 3i2v s LEU 100 CO 0.74 0.09 0.58 0.47 0.23 0.00 0.00 176.35 178.47 3i2v n ASP 101 N 0.18 -1.52 -4.76 2.29 8.00 -1.26 -4.59 116.55 114.88 3i2v n ASP 101 Ca -0.12 0.35 -0.41 0.00 0.71 0.00 0.00 54.79 55.32 3i2v n ASP 101 Cb 0.56 -1.27 -0.01 0.00 -0.02 0.00 0.00 41.12 40.39 3i2v n ASP 101 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3i2v n PRO 102 N -2.27 2.69 -4.24 -0.24 -0.02 -1.26 -4.74 135.00 124.91 3i2v n PRO 102 Ca 0.08 0.95 -0.21 0.00 -2.02 0.00 0.00 63.50 62.29 3i2v n PRO 102 Cb 0.53 -2.70 -0.12 0.00 -0.02 0.00 0.00 33.50 31.19 3i2v n PRO 102 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i2v s LEU 103 N -1.49 2.28 -0.20 2.45 1.43 -1.26 -0.93 118.68 120.96 3i2v s LEU 103 Ca 0.57 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 3i2v s LEU 103 Cb -0.48 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.03 3i2v s LEU 103 CO 0.58 -0.00 -0.13 -0.89 0.23 0.00 0.00 176.35 176.14 3i2v s THR 104 N -1.19 2.59 -0.09 5.49 2.01 0.09 -4.78 115.64 119.76 3i2v s THR 104 Ca 0.03 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.29 3i2v s THR 104 Cb -0.10 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.27 3i2v s THR 104 CO 0.03 0.48 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.52 3i2v s VAL 105 N 1.36 1.93 -0.01 3.82 1.01 -1.26 -0.56 120.40 126.69 3i2v s VAL 105 Ca 0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3i2v s VAL 105 Cb -0.14 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 3i2v s VAL 105 CO -0.09 0.53 0.05 -0.13 0.00 0.00 0.00 175.10 175.46 3i2v s ARG 106 N 0.26 0.18 0.25 2.72 1.81 -0.54 -4.79 118.95 118.84 3i2v s ARG 106 Ca -0.15 -0.13 0.07 0.00 -1.72 0.00 0.00 55.73 53.80 3i2v s ARG 106 Cb -0.17 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 3i2v s ARG 106 CO 0.07 -0.03 0.21 0.16 -0.68 0.00 0.00 175.30 175.03 3i2v s ASP 107 N -0.48 5.60 -0.31 0.23 -4.77 -0.64 -0.85 116.67 115.45 3i2v s ASP 107 Ca -0.05 -0.22 -0.20 0.00 -3.30 0.00 0.00 52.55 48.77 3i2v s ASP 107 Cb -0.03 -1.45 -0.01 0.00 -1.09 0.00 0.00 42.92 40.34 3i2v s ASP 107 CO 0.00 -0.04 0.63 -0.69 0.70 0.00 0.00 175.17 175.77 3i2v s VAL 108 N -2.12 4.93 0.13 2.11 1.01 -0.31 -0.50 120.40 125.65 3i2v s VAL 108 Ca 0.33 0.81 -0.31 0.00 0.00 0.00 0.00 61.98 62.81 3i2v s VAL 108 Cb -0.08 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 3i2v s VAL 108 CO 0.25 -0.17 1.66 -0.69 0.00 0.00 0.00 175.10 176.15 3i2v s VAL 109 N 2.63 2.67 0.00 2.92 1.01 -0.30 -1.61 120.40 127.72 3i2v s VAL 109 Ca 0.25 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3i2v s VAL 109 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3i2v s VAL 109 CO 0.12 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3i2v n GLY 110 N 3.95 1.75 7.00 4.51 0.00 -1.24 -4.31 105.19 116.85 3i2v n GLY 110 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3i2v n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2v n GLY 111 N -2.00 1.00 1.97 -0.02 0.00 -0.63 -1.48 105.19 104.02 3i2v n GLY 111 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 3i2v n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i2v n LEU 112 N 0.00 2.11 0.00 0.99 4.77 0.17 -1.83 117.00 123.21 3i2v n LEU 112 Ca 0.00 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 3i2v n LEU 112 Cb 0.00 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3i2v n LEU 112 CO 0.00 0.39 0.00 0.00 -1.33 0.00 0.00 177.39 176.45 3i2v n ALA 114 N 2.14 0.00 -0.10 -1.18 0.00 -0.55 -0.61 120.51 120.21 3i2v n ALA 114 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 3i2v n ALA 114 Cb 0.25 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.72 3i2v n ALA 114 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3i2v h TRP 115 N 0.00 0.13 -0.56 0.00 2.91 -1.63 -0.75 115.95 116.06 3i2v h TRP 115 Ca 0.00 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 59.95 3i2v h TRP 115 Cb 0.00 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.62 3i2v h TRP 115 CO 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 178.44 177.44 3i2v h ALA 116 N 1.25 0.94 -0.32 2.65 0.00 -1.03 0.20 119.26 122.96 3i2v h ALA 116 Ca 0.16 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3i2v h ALA 116 Cb 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i2v h ALA 116 CO -0.21 0.64 -0.45 0.00 0.00 0.00 0.00 179.25 179.23 3i2v h ALA 117 N 1.10 0.60 0.00 0.00 0.00 -1.74 -3.05 119.26 116.18 3i2v h ALA 117 Ca 0.16 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 3i2v h ALA 117 Cb 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3i2v h ALA 117 CO 0.03 0.68 -1.53 1.63 0.00 0.00 0.00 179.25 180.05 3i2v n LYS 118 N -4.03 2.03 -0.10 0.00 5.02 -0.32 -4.88 118.16 115.88 3i2v n LYS 118 Ca -0.03 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.06 3i2v n LYS 118 Cb 0.57 -1.19 -0.07 0.00 -0.02 0.00 0.00 35.03 34.31 3i2v n LYS 118 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i2v n ILE 119 N -2.43 1.12 -3.37 -0.18 2.08 0.55 -4.96 119.36 112.18 3i2v n ILE 119 Ca -0.14 -0.29 -0.14 0.00 0.56 0.00 0.00 62.75 62.74 3i2v n ILE 119 Cb 0.73 -1.75 -0.08 0.00 -0.75 0.00 0.00 39.64 37.78 3i2v n ILE 119 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i2v s ASP 120 N -6.80 1.19 0.00 4.38 -1.08 -0.23 -5.01 116.67 109.12 3i2v s ASP 120 Ca -0.29 -0.59 0.11 0.00 -0.52 0.00 0.00 52.55 51.26 3i2v s ASP 120 Cb 0.11 0.73 0.54 0.00 -1.46 0.00 0.00 42.92 42.83 3i2v s ASP 120 CO 0.36 -0.37 1.24 0.61 0.52 0.00 0.00 175.17 177.53 3i2v n GLY 121 N 5.33 -0.65 0.09 2.66 0.00 -1.15 -1.74 105.19 109.73 3i2v n GLY 121 Ca -0.01 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3i2v n GLY 121 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i2v n THR 122 N -1.29 0.54 -2.32 2.61 -2.24 -1.26 -4.73 114.28 105.58 3i2v n THR 122 Ca 0.05 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3i2v n THR 122 Cb 0.09 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 3i2v n THR 122 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3i2v s PHE 123 N -3.10 2.96 0.50 4.78 5.36 -0.71 -4.99 117.98 122.78 3i2v s PHE 123 Ca 0.11 0.97 -0.11 0.00 -0.96 0.00 0.00 56.93 56.93 3i2v s PHE 123 Cb 0.13 -3.57 -0.06 0.00 -0.34 0.00 0.00 43.02 39.19 3i2v s PHE 123 CO 0.57 -2.00 0.89 -1.25 -1.46 0.00 0.00 175.22 171.97 3i2v s PRO 124 N 2.42 3.73 0.63 10.12 0.04 -1.26 -4.75 135.00 145.93 3i2v s PRO 124 Ca 0.60 0.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.09 3i2v s PRO 124 Cb -0.28 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 3i2v s PRO 124 CO 0.24 -0.26 1.16 -0.65 0.04 0.00 0.00 177.00 177.52 3i2v s GLN 125 N -4.42 2.85 0.00 4.56 -1.52 -1.26 -5.05 119.66 114.82 3i2v s GLN 125 Ca 0.53 1.62 0.00 0.00 -1.95 0.00 0.00 55.36 55.57 3i2v s GLN 125 Cb -0.10 -1.94 0.00 0.00 -0.22 0.00 0.00 33.01 30.75 3i2v s GLN 125 CO 0.40 -1.26 0.00 2.48 -0.25 0.00 0.00 175.29 176.66