#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3h s ALA 59 N 0.00 3.12 0.43 4.61 0.00 -1.26 -4.98 121.76 123.68 2w3h s ALA 59 Ca 0.00 1.18 -0.23 0.00 0.00 0.00 0.00 51.96 52.91 2w3h s ALA 59 Cb 0.00 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 2w3h s ALA 59 CO 0.00 -0.87 0.77 -1.33 0.00 0.00 0.00 175.76 174.34 2w3h n MET 60 N -0.19 0.92 -1.60 0.00 2.00 -1.26 -4.92 117.12 112.07 2w3h n MET 60 Ca 0.06 0.33 -0.53 0.00 0.00 0.00 0.00 57.70 57.56 2w3h n MET 60 Cb 0.45 -1.78 -0.06 0.00 0.00 0.00 0.00 33.22 31.82 2w3h n MET 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2w3h n ASP 61 N 0.78 1.62 -0.10 7.83 2.03 -1.26 -4.80 116.55 122.64 2w3h n ASP 61 Ca 0.11 1.12 0.04 0.00 0.52 0.00 0.00 54.79 56.58 2w3h n ASP 61 Cb 0.40 -1.17 0.36 0.00 -0.72 0.00 0.00 41.12 39.99 2w3h n ASP 61 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2w3h h PRO 62 N 4.71 0.70 -0.20 -0.67 0.11 -1.99 0.66 132.00 135.32 2w3h h PRO 62 Ca -0.48 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 2w3h h PRO 62 Cb 1.34 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2w3h h PRO 62 CO 0.79 0.46 -0.30 -0.44 -0.21 0.00 0.00 178.00 178.30 2w3h h ASP 63 N 0.72 0.62 -0.55 -2.05 3.32 -1.99 -0.76 116.42 115.73 2w3h h ASP 63 Ca 0.23 -0.52 0.04 0.00 0.02 0.00 0.00 57.03 56.80 2w3h h ASP 63 Cb 0.02 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2w3h h ASP 63 CO -0.06 1.02 0.30 0.25 -1.72 0.00 0.00 179.24 179.03 2w3h h LEU 64 N 0.24 0.46 -0.51 1.55 5.85 -1.85 -1.47 115.31 119.59 2w3h h LEU 64 Ca 0.02 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2w3h h LEU 64 Cb 0.88 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2w3h h LEU 64 CO 0.07 0.32 0.10 -0.08 -0.34 0.00 0.00 178.44 178.51 2w3h h GLU 65 N 0.59 0.83 -0.53 1.25 4.81 -0.69 -0.09 114.58 120.74 2w3h h GLU 65 Ca 0.23 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2w3h h GLU 65 Cb 0.10 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2w3h h GLU 65 CO -0.14 0.81 0.26 0.00 -0.73 0.00 0.00 179.01 179.22 2w3h h ALA 66 N 0.98 1.47 -0.12 2.92 0.00 -1.01 -0.77 119.26 122.73 2w3h h ALA 66 Ca 0.16 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2w3h h ALA 66 Cb 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2w3h h ALA 66 CO 0.01 0.43 -0.20 1.15 0.00 0.00 0.00 179.25 180.64 2w3h h THR 67 N 0.74 1.38 -0.45 0.00 2.02 -0.72 -1.18 112.91 114.70 2w3h h THR 67 Ca 0.19 -1.45 -0.13 0.00 0.77 0.00 0.00 66.41 65.79 2w3h h THR 67 Cb 0.07 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 2w3h h THR 67 CO -0.03 0.42 -0.24 -0.07 0.37 0.00 0.00 175.52 175.98 2w3h h LEU 68 N -0.07 0.96 -0.74 2.58 3.38 -0.87 -0.90 115.31 119.64 2w3h h LEU 68 Ca 0.01 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2w3h h LEU 68 Cb 0.77 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2w3h h LEU 68 CO 0.05 1.14 0.45 0.03 0.09 0.00 0.00 178.44 180.20 2w3h h ARG 69 N 0.80 1.00 -0.55 1.13 3.08 -1.14 -1.85 114.38 116.85 2w3h h ARG 69 Ca 0.10 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 2w3h h ARG 69 Cb 0.80 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2w3h h ARG 69 CO 0.07 0.70 0.04 0.00 -1.07 0.00 0.00 179.97 179.70 2w3h h ALA 70 N 1.24 1.03 -0.23 0.04 0.00 -0.73 -1.12 119.26 119.50 2w3h h ALA 70 Ca 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2w3h h ALA 70 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2w3h h ALA 70 CO -0.05 0.61 0.06 0.82 0.00 0.00 0.00 179.25 180.69 2w3h h ILE 71 N 0.85 1.20 -0.54 0.00 2.04 -0.99 -0.97 117.51 119.09 2w3h h ILE 71 Ca 0.17 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.41 2w3h h ILE 71 Cb 0.45 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2w3h h ILE 71 CO 0.02 0.20 0.32 0.58 0.00 0.00 0.00 178.15 179.27 2w3h h VAL 72 N 0.19 1.06 0.01 1.67 2.07 -1.10 0.49 116.25 120.63 2w3h h VAL 72 Ca 0.07 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2w3h h VAL 72 Cb 0.25 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2w3h h VAL 72 CO -0.00 0.12 -0.00 -0.74 0.02 0.00 0.00 177.57 176.96 2w3h h HIS 73 N 0.64 -0.01 -0.63 1.57 -0.00 -1.05 -0.84 115.15 114.83 2w3h h HIS 73 Ca 0.22 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.58 2w3h h HIS 73 Cb 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.41 2w3h h HIS 73 CO -0.06 0.02 0.35 0.77 -0.00 0.00 0.00 177.93 179.01 2w3h h SER 74 N -0.03 0.78 -0.46 3.26 0.02 -0.87 -1.26 113.55 114.99 2w3h h SER 74 Ca -0.00 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2w3h h SER 74 Cb 0.03 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 2w3h h SER 74 CO 0.00 0.64 0.21 0.00 -1.14 0.00 0.00 176.83 176.55 2w3h h ALA 75 N 1.17 0.57 -0.37 3.77 0.00 -0.69 0.25 119.26 123.96 2w3h h ALA 75 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2w3h h ALA 75 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2w3h h ALA 75 CO -0.04 -0.15 0.18 1.15 0.00 0.00 0.00 179.25 180.40 2w3h h THR 76 N 0.43 1.16 0.19 0.00 2.02 -0.66 -2.07 112.91 113.98 2w3h h THR 76 Ca 0.20 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2w3h h THR 76 Cb 0.14 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2w3h h THR 76 CO -0.16 0.17 -0.09 0.28 0.37 0.00 0.00 175.52 176.09 2w3h h SER 77 N 0.46 -0.21 -0.64 4.18 0.02 -1.04 -0.77 113.55 115.55 2w3h h SER 77 Ca 0.13 -0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2w3h h SER 77 Cb 0.11 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 2w3h h SER 77 CO -0.02 0.01 0.34 0.25 -1.14 0.00 0.00 176.83 176.27 2w3h h LEU 78 N -0.43 0.49 -2.59 5.07 5.85 -0.36 -2.66 115.31 120.68 2w3h h LEU 78 Ca -0.03 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2w3h h LEU 78 Cb 0.33 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2w3h h LEU 78 CO 0.04 0.32 0.00 1.33 -0.34 0.00 0.00 178.44 179.79 2w3h n VAL 79 N -4.82 0.83 -2.48 1.05 0.24 -0.79 -4.97 118.33 107.39 2w3h n VAL 79 Ca 0.08 -0.91 -0.16 0.00 -2.04 0.00 0.00 64.34 61.30 2w3h n VAL 79 Cb 0.18 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 2w3h n VAL 79 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2w3h n ASP 80 N 1.61 -4.89 -4.80 -1.34 8.00 -0.94 -4.80 116.55 109.39 2w3h n ASP 80 Ca 0.23 -0.08 -0.35 0.00 0.71 0.00 0.00 54.79 55.30 2w3h n ASP 80 Cb 0.62 -3.93 -0.05 0.00 -0.02 0.00 0.00 41.12 37.74 2w3h n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w3h s ALA 81 N -2.88 3.03 0.05 2.24 0.00 -0.34 -0.17 121.76 123.70 2w3h s ALA 81 Ca 0.07 0.54 -0.17 0.00 0.00 0.00 0.00 51.96 52.40 2w3h s ALA 81 Cb -0.03 -3.21 -0.17 0.00 0.00 0.00 0.00 23.12 19.71 2w3h s ALA 81 CO 0.09 -0.05 1.25 -0.09 0.00 0.00 0.00 175.76 176.96 2w3h h ARG 82 N 2.13 0.57 -5.16 0.00 1.12 -0.55 -3.44 114.38 109.04 2w3h h ARG 82 Ca -0.49 -0.46 -0.41 0.00 -1.11 0.00 0.00 59.98 57.51 2w3h h ARG 82 Cb 1.20 0.09 -0.24 0.00 -0.01 0.00 0.00 29.97 31.01 2w3h h ARG 82 CO 0.61 1.08 -0.78 0.71 -3.11 0.00 0.00 179.97 178.48 2w3h s TYR 83 N -3.72 1.11 -0.01 2.20 2.02 -1.11 -4.53 117.35 113.31 2w3h s TYR 83 Ca -0.12 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.19 2w3h s TYR 83 Cb 0.06 -0.66 0.00 0.00 -0.40 0.00 0.00 41.96 40.97 2w3h s TYR 83 CO 0.84 0.02 0.05 0.20 -1.57 0.00 0.00 175.55 175.09 2w3h s GLY 84 N -1.17 0.01 0.14 0.71 0.00 -0.88 -1.35 107.32 104.77 2w3h s GLY 84 Ca -0.00 0.02 -0.12 0.00 0.00 0.00 0.00 44.72 44.62 2w3h s GLY 84 CO 0.01 -0.01 0.33 0.00 0.00 0.00 0.00 173.10 173.43 2w3h s ALA 85 N -0.31 -0.45 -0.10 3.20 0.00 0.38 -0.20 121.76 124.28 2w3h s ALA 85 Ca -0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 2w3h s ALA 85 Cb -0.02 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.87 2w3h s ALA 85 CO 0.00 -0.64 0.22 1.41 0.00 0.00 0.00 175.76 176.75 2w3h s MET 86 N -3.89 0.17 0.02 0.00 1.75 0.06 -0.96 119.30 116.45 2w3h s MET 86 Ca 0.09 0.51 0.01 0.00 -1.25 0.00 0.00 55.69 55.05 2w3h s MET 86 Cb 0.02 -0.13 -0.04 0.00 2.84 0.00 0.00 34.83 37.52 2w3h s MET 86 CO -0.06 -0.18 0.07 -1.83 -0.65 0.00 0.00 175.02 172.38 2w3h s GLU 87 N 1.38 3.00 -0.07 4.11 4.04 -0.94 -1.41 118.70 128.81 2w3h s GLU 87 Ca -0.08 -0.55 0.05 0.00 0.04 0.00 0.00 54.97 54.43 2w3h s GLU 87 Cb -0.11 -2.81 -0.00 0.00 0.02 0.00 0.00 34.13 31.23 2w3h s GLU 87 CO -0.08 0.63 -0.21 0.08 -1.84 0.00 0.00 175.26 173.84 2w3h s VAL 88 N -1.23 1.77 0.26 1.83 1.01 -0.52 -1.98 120.40 121.54 2w3h s VAL 88 Ca 0.24 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2w3h s VAL 88 Cb -0.12 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.69 2w3h s VAL 88 CO 0.16 0.50 -0.02 -1.38 0.00 0.00 0.00 175.10 174.35 2w3h s HIS 89 N 0.14 1.76 0.93 5.22 -3.43 0.73 -0.57 115.29 120.07 2w3h s HIS 89 Ca -0.09 -0.83 -0.13 0.00 -0.80 0.00 0.00 55.06 53.20 2w3h s HIS 89 Cb -0.15 -1.02 0.20 0.00 -1.43 0.00 0.00 32.58 30.18 2w3h s HIS 89 CO 0.05 0.10 1.28 0.16 -2.00 0.00 0.00 174.74 174.33 2w3h s ASP 90 N -3.38 3.21 0.65 7.38 1.47 -0.50 -4.75 116.67 120.74 2w3h s ASP 90 Ca 0.29 0.08 0.42 0.00 1.18 0.00 0.00 52.55 54.53 2w3h s ASP 90 Cb 0.05 -0.14 2.24 0.00 -0.34 0.00 0.00 42.92 44.73 2w3h s ASP 90 CO 0.10 -2.66 2.32 0.03 0.68 0.00 0.00 175.17 175.64 2w3h h ARG 91 N -1.49 0.00 -0.15 2.11 3.08 -1.92 0.40 114.38 116.41 2w3h h ARG 91 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2w3h h ARG 91 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2w3h h ARG 91 CO 0.36 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 180.30 2w3h n GLN 92 N -3.17 1.70 -1.28 0.04 3.00 -1.26 -4.92 117.38 111.49 2w3h n GLN 92 Ca -0.03 -1.04 -0.07 0.00 -0.01 0.00 0.00 57.00 55.86 2w3h n GLN 92 Cb 0.10 -1.40 -0.03 0.00 0.00 0.00 0.00 30.24 28.92 2w3h n GLN 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2w3h n HIS 93 N 0.27 -0.03 -3.01 1.08 8.25 0.13 -5.01 115.22 116.90 2w3h n HIS 93 Ca 0.16 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.22 2w3h n HIS 93 Cb 0.32 -1.49 -0.05 0.00 1.12 0.00 0.00 29.99 29.89 2w3h n HIS 93 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2w3h s ARG 94 N -2.72 4.26 0.14 -0.41 3.52 -1.26 -4.79 118.95 117.69 2w3h s ARG 94 Ca 0.00 0.82 -0.31 0.00 -0.13 0.00 0.00 55.73 56.11 2w3h s ARG 94 Cb 0.00 -3.57 -0.10 0.00 -1.56 0.00 0.00 34.95 29.72 2w3h s ARG 94 CO 0.00 -0.27 1.61 0.08 -0.81 0.00 0.00 175.30 175.91 2w3h s VAL 95 N 1.97 2.71 -0.11 7.11 1.01 -1.26 -1.42 120.40 130.41 2w3h s VAL 95 Ca 0.34 0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.82 2w3h s VAL 95 Cb -0.16 -3.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.82 2w3h s VAL 95 CO 0.12 0.02 0.01 0.18 0.00 0.00 0.00 175.10 175.43 2w3h n LEU 96 N 4.51 0.52 -3.84 3.92 4.77 0.26 -4.92 117.00 122.22 2w3h n LEU 96 Ca 0.15 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 2w3h n LEU 96 Cb 0.39 0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2w3h n LEU 96 CO 0.62 0.35 -0.10 -1.00 -1.33 0.00 0.00 177.39 175.93 2w3h s HIS 97 N -2.27 -0.00 -0.10 -1.77 3.76 -1.02 -5.01 115.29 108.88 2w3h s HIS 97 Ca -0.08 -0.10 -0.05 0.00 -0.15 0.00 0.00 55.06 54.69 2w3h s HIS 97 Cb 0.04 -0.01 0.05 0.00 1.11 0.00 0.00 32.58 33.77 2w3h s HIS 97 CO 0.43 -0.37 0.23 0.12 -0.85 0.00 0.00 174.74 174.30 2w3h s PHE 98 N -1.83 -0.32 0.09 1.40 5.36 -1.26 -1.43 117.98 119.98 2w3h s PHE 98 Ca -0.11 0.78 0.06 0.00 -0.96 0.00 0.00 56.93 56.71 2w3h s PHE 98 Cb -0.05 -0.03 -0.03 0.00 -0.34 0.00 0.00 43.02 42.57 2w3h s PHE 98 CO 0.00 -0.26 -0.17 0.14 -1.46 0.00 0.00 175.22 173.47 2w3h s VAL 99 N 1.70 1.36 0.22 3.12 -7.23 -0.50 -5.00 120.40 114.06 2w3h s VAL 99 Ca -0.05 -1.44 -0.20 0.00 -1.81 0.00 0.00 61.98 58.49 2w3h s VAL 99 Cb -0.11 -1.30 0.03 0.00 0.56 0.00 0.00 36.38 35.56 2w3h s VAL 99 CO -0.08 -0.19 0.61 -0.72 -0.31 0.00 0.00 175.10 174.42 2w3h s TYR 100 N -1.33 -0.21 0.07 2.82 -0.85 -1.26 -0.76 117.35 115.84 2w3h s TYR 100 Ca 0.02 -0.15 -0.18 0.00 -0.52 0.00 0.00 57.07 56.24 2w3h s TYR 100 Cb -0.09 0.54 0.04 0.00 0.38 0.00 0.00 41.96 42.82 2w3h s TYR 100 CO 0.03 -1.03 0.43 -1.83 -1.52 0.00 0.00 175.55 171.63 2w3h s GLU 101 N -3.87 0.99 0.00 -3.49 -1.05 0.72 -4.95 118.70 107.06 2w3h s GLU 101 Ca 0.09 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 2w3h s GLU 101 Cb -0.03 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 2w3h s GLU 101 CO -0.01 -0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.25 2w3h n GLY 102 N 0.24 0.52 3.32 -3.83 0.00 -1.26 -2.08 105.19 102.10 2w3h n GLY 102 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2w3h n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w3h s ILE 103 N -2.00 3.17 0.73 -0.61 1.01 -1.26 -4.91 121.20 117.33 2w3h s ILE 103 Ca 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.92 2w3h s ILE 103 Cb 0.00 -2.40 0.04 0.00 0.01 0.00 0.00 42.46 40.11 2w3h s ILE 103 CO 0.00 0.47 1.21 1.51 0.00 0.00 0.00 174.94 178.13 2w3h s ASP 104 N 1.05 4.21 0.27 3.58 1.47 -1.26 -4.79 116.67 121.20 2w3h s ASP 104 Ca 0.00 2.36 -0.01 0.00 1.18 0.00 0.00 52.55 56.08 2w3h s ASP 104 Cb -0.15 -2.59 0.45 0.00 -0.34 0.00 0.00 42.92 40.30 2w3h s ASP 104 CO -0.01 -2.25 1.86 -0.08 0.68 0.00 0.00 175.17 175.37 2w3h h GLU 105 N -0.27 1.07 -0.62 2.11 4.81 -1.99 -1.90 114.58 117.80 2w3h h GLU 105 Ca -0.48 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 2w3h h GLU 105 Cb 1.30 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2w3h h GLU 105 CO 0.50 0.71 0.21 0.93 -0.73 0.00 0.00 179.01 180.63 2w3h h GLU 106 N 1.10 0.94 -0.27 1.92 5.08 -1.99 -1.78 114.58 119.59 2w3h h GLU 106 Ca 0.45 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2w3h h GLU 106 Cb 0.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2w3h h GLU 106 CO -0.21 0.82 0.10 1.15 -1.00 0.00 0.00 179.01 179.88 2w3h h THR 107 N 0.87 1.18 -0.82 1.13 2.02 -1.78 -1.79 112.91 113.73 2w3h h THR 107 Ca 0.20 -0.55 0.12 0.00 0.77 0.00 0.00 66.41 66.95 2w3h h THR 107 Cb 0.26 1.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.63 2w3h h THR 107 CO -0.01 0.18 0.43 0.58 0.37 0.00 0.00 175.52 177.08 2w3h h VAL 108 N 0.28 0.80 -0.68 3.16 2.07 -1.24 0.29 116.25 120.93 2w3h h VAL 108 Ca 0.09 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2w3h h VAL 108 Cb 0.19 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 2w3h h VAL 108 CO -0.01 0.12 0.24 0.03 0.02 0.00 0.00 177.57 177.98 2w3h h ARG 109 N 0.67 1.05 -0.34 1.57 3.08 -1.04 -2.08 114.38 117.28 2w3h h ARG 109 Ca 0.42 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 2w3h h ARG 109 Cb 0.52 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2w3h h ARG 109 CO -0.31 0.89 -0.02 0.00 -1.07 0.00 0.00 179.97 179.46 2w3h h ARG 110 N 0.99 0.62 -0.39 0.04 3.08 -0.29 -3.06 114.38 115.36 2w3h h ARG 110 Ca 0.22 -0.21 0.06 0.00 0.07 0.00 0.00 59.98 60.13 2w3h h ARG 110 Cb 0.26 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2w3h h ARG 110 CO -0.01 0.75 0.09 0.82 -1.07 0.00 0.00 179.97 180.54 2w3h h ILE 111 N 0.42 0.81 0.00 2.04 2.04 -0.95 -3.47 117.51 118.40 2w3h h ILE 111 Ca 0.09 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2w3h h ILE 111 Cb 0.49 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2w3h h ILE 111 CO 0.02 0.04 0.00 0.61 0.00 0.00 0.00 178.15 178.82 2w3h n GLY 112 N -1.24 2.06 3.75 5.37 0.00 -0.79 -4.90 105.19 109.44 2w3h n GLY 112 Ca 0.02 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2w3h n GLY 112 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2w3h s HIS 113 N 0.00 3.14 0.75 1.61 3.76 -1.26 -4.96 115.29 118.33 2w3h s HIS 113 Ca 0.00 1.24 -0.11 0.00 -0.15 0.00 0.00 55.06 56.04 2w3h s HIS 113 Cb 0.00 -3.67 0.04 0.00 1.11 0.00 0.00 32.58 30.06 2w3h s HIS 113 CO 0.00 -2.04 1.08 -0.51 -0.85 0.00 0.00 174.74 172.42 2w3h s LEU 114 N -0.75 2.90 0.49 0.89 1.43 -1.26 -5.02 118.68 117.37 2w3h s LEU 114 Ca 0.55 1.55 -0.22 0.00 -1.03 0.00 0.00 54.13 54.98 2w3h s LEU 114 Cb -0.39 -4.29 -0.07 0.00 0.03 0.00 0.00 46.19 41.47 2w3h s LEU 114 CO 0.44 -1.78 1.17 -2.16 0.23 0.00 0.00 176.35 174.25 2w3h s PRO 115 N -5.04 3.57 0.00 1.29 0.04 -1.26 -4.96 135.00 128.64 2w3h s PRO 115 Ca 0.60 1.77 0.17 0.00 0.04 0.00 0.00 61.00 63.57 2w3h s PRO 115 Cb -0.15 -2.27 0.28 0.00 0.04 0.00 0.00 34.50 32.40 2w3h s PRO 115 CO 0.55 -0.70 1.19 1.63 0.04 0.00 0.00 177.00 179.71 2w3h n LYS 116 N -0.79 1.98 -2.31 4.56 5.02 -1.26 -4.96 118.16 120.41 2w3h n LYS 116 Ca 0.09 -1.88 -0.01 0.00 -2.02 0.00 0.00 58.31 54.49 2w3h n LYS 116 Cb 0.49 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 2w3h n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w3h n GLY 117 N 1.03 0.61 2.99 0.72 0.00 -1.26 -4.63 105.19 104.65 2w3h n GLY 117 Ca 0.13 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 2w3h n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2w3h n LEU 118 N -1.00 0.00 0.00 0.99 4.77 -1.26 -3.53 117.00 116.97 2w3h n LEU 118 Ca -0.01 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.75 2w3h n LEU 118 Cb 0.51 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2w3h n LEU 118 CO 0.04 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.18 2w3h n GLY 119 N -0.24 2.79 0.19 -0.72 0.00 -1.26 -1.50 105.19 104.46 2w3h n GLY 119 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 2w3h n GLY 119 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2w3h h VAL 120 N 0.00 1.13 -0.83 1.61 2.07 -1.92 -0.45 116.25 117.86 2w3h h VAL 120 Ca 0.00 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2w3h h VAL 120 Cb 0.00 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 2w3h h VAL 120 CO 0.00 0.13 0.38 0.40 0.02 0.00 0.00 177.57 178.49 2w3h h ILE 121 N 0.60 1.26 -0.97 4.57 1.08 -1.89 -1.62 117.51 120.54 2w3h h ILE 121 Ca 0.16 -0.76 0.14 0.00 -0.39 0.00 0.00 64.86 64.01 2w3h h ILE 121 Cb -0.04 0.22 -0.08 0.00 -3.07 0.00 0.00 36.82 33.85 2w3h h ILE 121 CO -0.03 0.32 0.61 1.23 -0.69 0.00 0.00 178.15 179.59 2w3h h GLY 122 N 1.20 1.52 0.97 5.37 0.00 -0.57 0.35 103.07 111.91 2w3h h GLY 122 Ca 0.28 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2w3h h GLY 122 CO -0.03 0.11 0.14 -2.00 0.00 0.00 0.00 176.54 174.76 2w3h h LEU 123 N 0.87 0.73 -0.97 3.11 5.85 -0.14 -2.49 115.31 122.27 2w3h h LEU 123 Ca 0.49 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 2w3h h LEU 123 Cb 0.62 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2w3h h LEU 123 CO -0.26 0.75 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.03 2w3h h LEU 124 N 0.67 0.07 -0.52 2.25 3.38 -0.91 0.18 115.31 120.42 2w3h h LEU 124 Ca 0.16 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2w3h h LEU 124 Cb 0.29 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2w3h h LEU 124 CO -0.00 0.55 0.11 0.40 0.09 0.00 0.00 178.44 179.58 2w3h h ILE 125 N 0.05 1.25 0.18 1.22 2.04 -0.81 -2.75 117.51 118.70 2w3h h ILE 125 Ca -0.00 -0.91 -0.30 0.00 1.00 0.00 0.00 64.86 64.65 2w3h h ILE 125 Cb 0.88 0.83 0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2w3h h ILE 125 CO 0.07 0.33 -1.35 1.05 0.00 0.00 0.00 178.15 178.25 2w3h h GLU 126 N 0.74 0.38 -2.90 2.37 4.11 -1.09 -3.39 114.58 114.81 2w3h h GLU 126 Ca 0.16 -0.65 -0.61 0.00 0.07 0.00 0.00 59.36 58.33 2w3h h GLU 126 Cb 0.37 0.24 -0.41 0.00 0.50 0.00 0.00 28.75 29.45 2w3h h GLU 126 CO 0.01 1.31 -0.66 -3.47 0.07 0.00 0.00 179.01 176.27 2w3h n ASP 127 N -3.60 2.32 -4.58 3.06 2.03 0.60 -5.08 116.55 111.29 2w3h n ASP 127 Ca -0.12 -3.05 -0.41 0.00 0.52 0.00 0.00 54.79 51.73 2w3h n ASP 127 Cb 1.06 -0.71 -0.03 0.00 -0.72 0.00 0.00 41.12 40.72 2w3h n ASP 127 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2w3h s PRO 128 N -1.19 3.07 0.12 -0.67 0.02 -1.04 -4.50 135.00 130.81 2w3h s PRO 128 Ca 0.27 0.98 -0.25 0.00 0.02 0.00 0.00 61.00 62.02 2w3h s PRO 128 Cb -0.02 -4.25 0.07 0.00 0.02 0.00 0.00 34.50 30.32 2w3h s PRO 128 CO -0.17 -2.19 0.76 -1.59 -0.33 0.00 0.00 177.00 173.48 2w3h s LYS 129 N 6.13 1.20 0.44 5.54 -2.85 -1.26 -4.88 119.74 124.06 2w3h s LYS 129 Ca 0.71 -0.52 -0.24 0.00 -1.00 0.00 0.00 55.97 54.92 2w3h s LYS 129 Cb -0.17 0.50 -0.08 0.00 -2.06 0.00 0.00 37.83 36.03 2w3h s LYS 129 CO 0.28 -0.53 1.23 -2.14 0.10 0.00 0.00 175.35 174.28 2w3h s PRO 130 N -3.51 3.81 -0.05 1.78 0.02 -1.26 -4.49 135.00 131.30 2w3h s PRO 130 Ca 0.05 1.96 -0.02 0.00 0.02 0.00 0.00 61.00 63.01 2w3h s PRO 130 Cb -0.02 -2.55 0.04 0.00 0.02 0.00 0.00 34.50 31.98 2w3h s PRO 130 CO -0.07 -0.56 0.09 -1.17 -0.33 0.00 0.00 177.00 174.97 2w3h s LEU 131 N -2.79 0.63 -0.03 -5.54 2.96 0.42 -4.99 118.68 109.34 2w3h s LEU 131 Ca 0.61 0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.76 2w3h s LEU 131 Cb -0.33 0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.44 2w3h s LEU 131 CO 0.41 -0.17 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.89 2w3h s ARG 132 N 1.48 2.10 -0.02 1.98 0.52 -1.26 -0.40 118.95 123.34 2w3h s ARG 132 Ca -0.05 -0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 54.26 2w3h s ARG 132 Cb -0.12 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.38 2w3h s ARG 132 CO -0.04 0.51 0.05 -0.51 0.02 0.00 0.00 175.30 175.33 2w3h s LEU 133 N -0.51 1.80 0.23 2.53 1.43 -0.64 -5.00 118.68 118.52 2w3h s LEU 133 Ca 0.07 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 2w3h s LEU 133 Cb -0.10 0.19 0.24 0.00 0.03 0.00 0.00 46.19 46.54 2w3h s LEU 133 CO -0.00 -0.03 1.58 0.44 0.23 0.00 0.00 176.35 178.57 2w3h h ASP 134 N 6.03 0.47 -2.20 2.29 3.32 -1.87 -1.04 116.42 123.42 2w3h h ASP 134 Ca -0.25 -0.23 -0.40 0.00 0.02 0.00 0.00 57.03 56.17 2w3h h ASP 134 Cb 1.21 -0.13 -0.34 0.00 0.22 0.00 0.00 39.33 40.28 2w3h h ASP 134 CO 0.47 0.89 -0.70 -0.62 -1.72 0.00 0.00 179.24 177.56 2w3h s ASP 135 N -6.89 1.86 0.26 6.45 2.15 -1.22 -2.78 116.67 116.51 2w3h s ASP 135 Ca -0.06 -1.33 -0.04 0.00 0.43 0.00 0.00 52.55 51.55 2w3h s ASP 135 Cb 0.12 0.31 0.35 0.00 -0.30 0.00 0.00 42.92 43.40 2w3h s ASP 135 CO 0.81 -0.33 1.90 1.62 -0.17 0.00 0.00 175.17 179.00 2w3h h VAL 136 N 5.64 1.15 0.00 1.11 3.04 -0.84 -2.00 116.25 124.36 2w3h h VAL 136 Ca -0.04 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2w3h h VAL 136 Cb 1.05 -0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 2w3h h VAL 136 CO 0.28 0.23 0.00 -1.54 -1.01 0.00 0.00 177.57 175.53 2w3h n SER 137 N -4.45 0.23 -0.14 3.17 3.41 -1.26 -1.62 113.62 112.96 2w3h n SER 137 Ca 0.14 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 2w3h n SER 137 Cb 0.12 -0.61 0.40 0.00 -0.26 0.00 0.00 64.21 63.85 2w3h n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2w3h n ALA 138 N -1.60 3.12 -1.86 7.33 0.00 -0.75 -4.82 120.51 121.93 2w3h n ALA 138 Ca 0.02 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.71 2w3h n ALA 138 Cb 0.16 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 2w3h n ALA 138 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2w3h s HIS 139 N -2.67 3.37 0.57 0.00 2.46 -0.64 -4.92 115.29 113.46 2w3h s HIS 139 Ca 0.21 1.50 0.27 0.00 0.47 0.00 0.00 55.06 57.51 2w3h s HIS 139 Cb 0.19 -3.46 1.57 0.00 -0.13 0.00 0.00 32.58 30.75 2w3h s HIS 139 CO 0.56 -1.21 2.07 -1.00 -2.47 0.00 0.00 174.74 172.69 2w3h h PRO 140 N 4.24 0.00 -0.00 2.88 0.13 -1.90 0.29 132.00 137.64 2w3h h PRO 140 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2w3h h PRO 140 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2w3h h PRO 140 CO 0.70 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.27 2w3h n ALA 141 N -2.40 2.86 -1.82 -0.56 0.00 -1.26 -4.93 120.51 112.40 2w3h n ALA 141 Ca 0.03 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 2w3h n ALA 141 Cb 0.38 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 2w3h n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2w3h s SER 142 N -2.79 6.56 -0.01 0.00 0.15 0.09 -3.83 113.70 113.87 2w3h s SER 142 Ca 0.19 2.79 0.18 0.00 0.70 0.00 0.00 55.95 59.81 2w3h s SER 142 Cb 0.19 -2.64 -0.22 0.00 -1.71 0.00 0.00 66.02 61.64 2w3h s SER 142 CO 0.56 -0.75 0.62 0.00 1.20 0.00 0.00 173.24 174.87 2w3h n ILE 143 N 1.81 0.00 0.00 6.45 3.06 -1.26 -4.93 119.36 124.49 2w3h n ILE 143 Ca 0.05 -0.21 0.00 0.00 -2.50 0.00 0.00 62.75 60.10 2w3h n ILE 143 Cb 0.40 0.67 0.00 0.00 0.54 0.00 0.00 39.64 41.24 2w3h n ILE 143 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2w3h n GLY 144 N 1.44 1.21 3.78 4.50 0.00 -1.26 -5.00 105.19 109.86 2w3h n GLY 144 Ca 0.01 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 2w3h n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2w3h s PHE 145 N -2.73 3.89 0.93 1.61 0.08 -1.26 -5.07 117.98 115.42 2w3h s PHE 145 Ca 0.00 1.59 -0.12 0.00 0.12 0.00 0.00 56.93 58.52 2w3h s PHE 145 Cb 0.00 -2.74 0.15 0.00 -0.57 0.00 0.00 43.02 39.86 2w3h s PHE 145 CO 0.00 0.51 1.12 -1.25 -0.10 0.00 0.00 175.22 175.50 2w3h s PRO 146 N -1.19 1.00 0.17 0.24 0.04 -1.26 -4.92 135.00 129.07 2w3h s PRO 146 Ca 0.36 0.41 -0.33 0.00 0.04 0.00 0.00 61.00 61.47 2w3h s PRO 146 Cb -0.22 -1.81 -0.15 0.00 0.04 0.00 0.00 34.50 32.35 2w3h s PRO 146 CO 0.25 -2.32 1.29 -2.30 0.04 0.00 0.00 177.00 173.96 2w3h n PRO 147 N -3.87 1.45 -0.51 0.56 -0.02 -1.26 -2.42 135.00 128.93 2w3h n PRO 147 Ca 0.06 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2w3h n PRO 147 Cb 0.58 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2w3h n PRO 147 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2w3h n TYR 148 N 1.96 0.00 -2.42 6.00 4.01 -1.26 -4.30 117.16 121.14 2w3h n TYR 148 Ca 0.15 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.48 2w3h n TYR 148 Cb 0.25 -0.07 -0.04 0.00 -0.31 0.00 0.00 39.34 39.18 2w3h n TYR 148 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2w3h s HIS 149 N -3.39 3.49 0.35 -0.72 2.46 -1.02 -4.71 115.29 111.75 2w3h s HIS 149 Ca 0.00 1.56 -0.29 0.00 0.47 0.00 0.00 55.06 56.81 2w3h s HIS 149 Cb 0.00 -3.36 -0.11 0.00 -0.13 0.00 0.00 32.58 28.97 2w3h s HIS 149 CO 0.00 -0.89 1.50 -2.30 -2.47 0.00 0.00 174.74 170.59 2w3h n PRO 150 N 1.83 2.63 -2.32 2.88 -0.02 -1.26 -4.91 135.00 133.83 2w3h n PRO 150 Ca 0.02 0.93 -0.39 0.00 -2.02 0.00 0.00 63.50 62.03 2w3h n PRO 150 Cb 0.45 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 2w3h n PRO 150 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2w3h s PRO 151 N -1.58 4.30 0.03 0.52 0.04 -1.26 -5.01 135.00 132.04 2w3h s PRO 151 Ca 0.57 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.54 2w3h s PRO 151 Cb -0.49 -2.91 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 2w3h s PRO 151 CO 0.59 -0.12 -0.12 -1.64 0.04 0.00 0.00 177.00 175.75 2w3h s MET 152 N -1.94 0.79 0.00 4.56 -1.94 -1.26 -5.08 119.30 114.43 2w3h s MET 152 Ca 0.52 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 2w3h s MET 152 Cb -0.33 -0.75 0.00 0.00 2.01 0.00 0.00 34.83 35.76 2w3h s MET 152 CO 0.42 0.19 0.00 0.54 -0.01 0.00 0.00 175.02 176.15 2w3h n ARG 153 N 2.03 0.00 -2.40 2.03 1.74 -1.26 -4.45 116.66 114.35 2w3h n ARG 153 Ca -0.18 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.51 2w3h n ARG 153 Cb 0.55 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.96 2w3h n ARG 153 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2w3h s THR 154 N 0.00 3.36 -0.05 0.55 -4.23 -1.12 -0.26 115.64 113.89 2w3h s THR 154 Ca 0.00 1.21 -0.04 0.00 -1.18 0.00 0.00 61.69 61.69 2w3h s THR 154 Cb 0.00 -3.71 0.02 0.00 1.34 0.00 0.00 72.50 70.15 2w3h s THR 154 CO 0.00 0.17 0.13 0.12 -0.54 0.00 0.00 174.62 174.50 2w3h s PHE 155 N -1.36 -0.14 -0.08 3.99 5.36 -0.39 -0.84 117.98 124.51 2w3h s PHE 155 Ca 0.52 0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 56.85 2w3h s PHE 155 Cb -0.30 -0.01 0.03 0.00 -0.34 0.00 0.00 43.02 42.40 2w3h s PHE 155 CO 0.38 -0.10 -0.02 -1.17 -1.46 0.00 0.00 175.22 172.85 2w3h s LEU 156 N 0.47 0.74 -0.02 6.12 2.96 -0.07 -1.61 118.68 127.27 2w3h s LEU 156 Ca -0.03 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2w3h s LEU 156 Cb -0.05 -0.54 -0.00 0.00 0.50 0.00 0.00 46.19 46.10 2w3h s LEU 156 CO -0.02 -0.17 -0.08 -0.83 -1.32 0.00 0.00 176.35 173.92 2w3h s GLY 157 N 1.90 0.45 0.03 7.98 0.00 0.46 -0.64 107.32 117.49 2w3h s GLY 157 Ca 0.05 -0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.47 2w3h s GLY 157 CO -0.06 -0.17 -0.08 -1.34 0.00 0.00 0.00 173.10 171.46 2w3h s VAL 158 N 0.02 0.55 0.45 1.40 -7.23 -0.04 -0.44 120.40 115.12 2w3h s VAL 158 Ca -0.00 -0.87 -0.22 0.00 -1.81 0.00 0.00 61.98 59.08 2w3h s VAL 158 Cb -0.06 -0.57 -0.08 0.00 0.56 0.00 0.00 36.38 36.23 2w3h s VAL 158 CO -0.00 -0.24 1.10 -2.16 -0.31 0.00 0.00 175.10 173.49 2w3h s PRO 159 N -1.20 3.86 -0.39 4.82 0.04 -1.26 -0.71 135.00 140.15 2w3h s PRO 159 Ca -0.06 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 62.41 2w3h s PRO 159 Cb -0.08 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.13 2w3h s PRO 159 CO 0.00 -0.42 0.31 0.08 0.04 0.00 0.00 177.00 177.01 2w3h s VAL 160 N -1.70 5.24 0.30 -0.36 1.01 0.35 -4.67 120.40 120.57 2w3h s VAL 160 Ca 0.63 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 2w3h s VAL 160 Cb -0.23 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2w3h s VAL 160 CO 0.28 -0.25 0.56 0.00 0.00 0.00 0.00 175.10 175.69 2w3h s ARG 161 N 1.76 1.79 0.00 2.72 1.70 -1.26 -0.01 118.95 125.65 2w3h s ARG 161 Ca 0.06 -1.39 0.00 0.00 -0.47 0.00 0.00 55.73 53.94 2w3h s ARG 161 Cb -0.18 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 2w3h s ARG 161 CO 0.11 -0.77 0.00 1.33 -1.08 0.00 0.00 175.30 174.89 2w3h n VAL 162 N -0.46 0.00 0.18 4.99 0.24 0.66 -4.30 118.33 119.63 2w3h n VAL 162 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.13 2w3h n VAL 162 Cb 0.61 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.91 2w3h n VAL 162 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2w3h h ARG 163 N 0.00 -0.39 -0.40 7.34 2.43 -2.01 -3.28 114.38 118.08 2w3h h ARG 163 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2w3h h ARG 163 Cb 0.00 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2w3h h ARG 163 CO 0.00 -0.26 0.00 -0.25 -1.51 0.00 0.00 179.97 177.95 2w3h n ASP 164 N -5.27 3.47 -3.66 -3.80 10.43 -1.26 -4.96 116.55 111.51 2w3h n ASP 164 Ca -0.10 -1.99 -0.14 0.00 2.57 0.00 0.00 54.79 55.13 2w3h n ASP 164 Cb 0.19 -0.26 -0.08 0.00 1.84 0.00 0.00 41.12 42.81 2w3h n ASP 164 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2w3h s GLU 165 N -1.49 0.74 -0.11 -1.24 2.12 -1.24 -5.15 118.70 112.34 2w3h s GLU 165 Ca 0.39 0.90 0.01 0.00 0.36 0.00 0.00 54.97 56.63 2w3h s GLU 165 Cb 0.23 0.36 -0.02 0.00 0.26 0.00 0.00 34.13 34.96 2w3h s GLU 165 CO 0.32 -0.09 -0.15 0.45 -0.54 0.00 0.00 175.26 175.25 2w3h s SER 166 N 0.38 3.86 -0.00 -1.70 0.15 -1.26 -0.25 113.70 114.88 2w3h s SER 166 Ca -0.00 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 56.39 2w3h s SER 166 Cb -0.05 -1.40 -0.10 0.00 -1.71 0.00 0.00 66.02 62.77 2w3h s SER 166 CO 0.00 0.20 0.33 0.49 1.20 0.00 0.00 173.24 175.47 2w3h n PHE 167 N 3.25 0.00 -3.96 3.44 3.72 0.99 -4.94 117.46 119.95 2w3h n PHE 167 Ca -0.18 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.23 2w3h n PHE 167 Cb 0.53 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2w3h n PHE 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2w3h n GLY 168 N 1.32 0.39 3.01 1.37 0.00 -1.00 -0.19 105.19 110.09 2w3h n GLY 168 Ca 0.01 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2w3h n GLY 168 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w3h s THR 169 N -2.05 -0.03 -0.22 2.61 2.01 -0.84 -0.49 115.64 116.63 2w3h s THR 169 Ca 0.08 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.13 2w3h s THR 169 Cb -0.00 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 2w3h s THR 169 CO -0.01 0.05 0.07 -0.22 -0.69 0.00 0.00 174.62 173.83 2w3h s LEU 170 N 0.92 3.64 0.02 4.42 2.96 0.11 -2.21 118.68 128.54 2w3h s LEU 170 Ca -0.07 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2w3h s LEU 170 Cb -0.08 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 2w3h s LEU 170 CO -0.05 0.06 -0.04 -0.72 -1.32 0.00 0.00 176.35 174.28 2w3h s TYR 171 N 1.06 0.33 0.03 5.38 -0.85 -0.14 -0.86 117.35 122.30 2w3h s TYR 171 Ca 0.04 -0.38 0.04 0.00 -0.52 0.00 0.00 57.07 56.26 2w3h s TYR 171 Cb -0.14 -0.21 -0.02 0.00 0.38 0.00 0.00 41.96 41.97 2w3h s TYR 171 CO 0.03 -0.11 -0.13 -0.51 -1.52 0.00 0.00 175.55 173.32 2w3h s LEU 172 N -1.07 2.15 0.11 -3.49 2.01 0.18 -0.47 118.68 118.10 2w3h s LEU 172 Ca -0.10 -0.41 0.02 0.00 0.01 0.00 0.00 54.13 53.66 2w3h s LEU 172 Cb -0.07 -0.54 -0.04 0.00 0.01 0.00 0.00 46.19 45.55 2w3h s LEU 172 CO -0.00 0.03 -0.06 0.42 1.01 0.00 0.00 176.35 177.74 2w3h s THR 173 N -0.77 0.73 -1.03 5.49 -4.23 -0.46 -0.90 115.64 114.47 2w3h s THR 173 Ca 0.01 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.48 2w3h s THR 173 Cb -0.07 -1.73 -0.05 0.00 1.34 0.00 0.00 72.50 71.99 2w3h s THR 173 CO 0.01 -0.83 0.86 0.47 -0.54 0.00 0.00 174.62 174.59 2w3h n ASP 174 N -0.07 -6.46 -4.59 3.99 9.92 -0.02 -1.82 116.55 117.49 2w3h n ASP 174 Ca -0.11 -0.71 -0.49 0.00 -0.53 0.00 0.00 54.79 52.94 2w3h n ASP 174 Cb 0.61 -4.75 -0.05 0.00 -0.64 0.00 0.00 41.12 36.30 2w3h n ASP 174 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2w3h n LYS 175 N -3.27 1.25 0.17 -1.24 4.81 -1.26 -1.72 118.16 116.90 2w3h n LYS 175 Ca -0.07 0.45 0.13 0.00 -0.87 0.00 0.00 58.31 57.95 2w3h n LYS 175 Cb 0.60 -2.01 0.50 0.00 0.02 0.00 0.00 35.03 34.14 2w3h n LYS 175 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2w3h h THR 176 N 2.94 0.00 0.00 3.15 1.35 -0.87 -1.44 112.91 118.04 2w3h h THR 176 Ca -0.45 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2w3h h THR 176 Cb 1.33 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 2w3h h THR 176 CO 0.74 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.55 2w3h n ASN 177 N -2.52 0.00 0.00 5.36 6.94 -1.26 -4.89 115.26 118.88 2w3h n ASN 177 Ca 0.02 0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 2w3h n ASN 177 Cb 0.30 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 2w3h n ASN 177 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2w3h n GLY 178 N 1.13 0.79 3.99 4.83 0.00 -0.54 -5.04 105.19 110.36 2w3h n GLY 178 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2w3h n GLY 178 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w3h s GLN 179 N -0.29 3.05 0.87 1.61 -1.52 -1.26 -5.01 119.66 117.11 2w3h s GLN 179 Ca 0.00 -1.02 -0.11 0.00 -1.95 0.00 0.00 55.36 52.27 2w3h s GLN 179 Cb 0.00 -2.79 0.11 0.00 -0.22 0.00 0.00 33.01 30.11 2w3h s GLN 179 CO 0.00 -0.03 1.09 -2.14 -0.25 0.00 0.00 175.29 173.96 2w3h s PRO 180 N -4.24 1.46 0.34 2.91 0.02 -1.26 -4.43 135.00 129.81 2w3h s PRO 180 Ca 0.47 0.79 -0.27 0.00 0.02 0.00 0.00 61.00 62.02 2w3h s PRO 180 Cb -0.10 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 2w3h s PRO 180 CO 0.32 -2.09 1.10 -0.06 -0.33 0.00 0.00 177.00 175.94 2w3h s PHE 181 N -2.98 3.36 0.66 6.54 0.08 -1.26 -5.03 117.98 119.36 2w3h s PHE 181 Ca 0.63 1.65 -0.01 0.00 0.12 0.00 0.00 56.93 59.32 2w3h s PHE 181 Cb -0.17 -3.27 0.09 0.00 -0.57 0.00 0.00 43.02 39.10 2w3h s PHE 181 CO 0.56 -0.77 0.92 -1.54 -0.10 0.00 0.00 175.22 174.30 2w3h s SER 182 N -1.13 4.68 0.21 1.36 1.04 -1.26 -4.92 113.70 113.69 2w3h s SER 182 Ca 0.51 -0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.67 2w3h s SER 182 Cb -0.29 -0.38 0.27 0.00 0.10 0.00 0.00 66.02 65.71 2w3h s SER 182 CO 0.37 -1.61 1.79 0.44 0.98 0.00 0.00 173.24 175.21 2w3h h ASP 183 N -0.34 0.45 -0.13 7.02 5.19 -1.99 -1.86 116.42 124.76 2w3h h ASP 183 Ca -0.39 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.10 2w3h h ASP 183 Cb 1.28 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.73 2w3h h ASP 183 CO 0.46 0.28 -0.07 0.44 -3.12 0.00 0.00 179.24 177.23 2w3h h ASP 184 N 0.59 -0.23 -0.63 6.45 5.19 -2.00 -1.44 116.42 124.37 2w3h h ASP 184 Ca 0.31 0.05 0.12 0.00 -0.62 0.00 0.00 57.03 56.89 2w3h h ASP 184 Cb 0.27 0.12 -0.09 0.00 0.18 0.00 0.00 39.33 39.82 2w3h h ASP 184 CO -0.23 -0.09 0.16 0.44 -3.12 0.00 0.00 179.24 176.40 2w3h h ASP 185 N -0.06 0.05 -0.52 6.45 3.32 -1.86 -1.38 116.42 122.42 2w3h h ASP 185 Ca 0.07 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 2w3h h ASP 185 Cb 0.17 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2w3h h ASP 185 CO -0.17 0.03 0.12 -0.08 -1.72 0.00 0.00 179.24 177.42 2w3h h GLU 186 N 0.29 0.85 -0.46 3.56 4.81 -0.88 -1.81 114.58 120.94 2w3h h GLU 186 Ca 0.33 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2w3h h GLU 186 Cb 0.50 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2w3h h GLU 186 CO -0.40 0.81 0.20 0.28 -0.73 0.00 0.00 179.01 179.17 2w3h h VAL 187 N 0.74 1.19 -0.23 0.32 2.07 -0.74 -1.89 116.25 117.71 2w3h h VAL 187 Ca 0.16 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 2w3h h VAL 187 Cb 0.35 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2w3h h VAL 187 CO 0.00 0.22 -0.11 -0.07 0.02 0.00 0.00 177.57 177.63 2w3h h LEU 188 N 0.60 0.50 -1.53 2.57 3.38 -1.20 -2.74 115.31 116.89 2w3h h LEU 188 Ca 0.16 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2w3h h LEU 188 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2w3h h LEU 188 CO -0.02 0.80 -0.03 0.58 0.09 0.00 0.00 178.44 179.86 2w3h h VAL 189 N 0.21 1.13 -0.74 1.22 2.07 -1.31 -0.78 116.25 118.06 2w3h h VAL 189 Ca 0.05 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2w3h h VAL 189 Cb 0.60 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2w3h h VAL 189 CO 0.03 0.18 0.45 1.56 0.02 0.00 0.00 177.57 179.81 2w3h h GLN 190 N 0.25 1.00 -0.23 1.57 4.20 -1.13 0.22 115.11 120.99 2w3h h GLN 190 Ca 0.06 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 2w3h h GLN 190 Cb 0.23 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 2w3h h GLN 190 CO 0.01 0.70 -0.24 0.00 -0.67 0.00 0.00 178.83 178.63 2w3h h ALA 191 N 1.47 0.34 -0.71 3.87 0.00 -0.90 -1.32 119.26 122.01 2w3h h ALA 191 Ca 0.27 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2w3h h ALA 191 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2w3h h ALA 191 CO -0.05 0.30 0.31 -0.07 0.00 0.00 0.00 179.25 179.74 2w3h h LEU 192 N 0.26 0.94 -0.82 0.00 3.38 -1.01 -2.63 115.31 115.43 2w3h h LEU 192 Ca 0.03 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2w3h h LEU 192 Cb 0.79 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2w3h h LEU 192 CO 0.06 0.82 -0.03 0.00 0.09 0.00 0.00 178.44 179.38 2w3h h ALA 193 N 1.32 1.01 -0.31 1.53 0.00 -0.82 -1.68 119.26 120.32 2w3h h ALA 193 Ca 0.24 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2w3h h ALA 193 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2w3h h ALA 193 CO -0.03 0.60 -0.12 0.00 0.00 0.00 0.00 179.25 179.71 2w3h h ALA 194 N 1.18 1.21 -0.51 0.00 0.00 -1.07 0.71 119.26 120.78 2w3h h ALA 194 Ca 0.15 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2w3h h ALA 194 Cb 0.51 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2w3h h ALA 194 CO 0.03 0.51 -0.02 0.00 0.00 0.00 0.00 179.25 179.76 2w3h h ALA 195 N 1.38 0.69 -0.87 0.00 0.00 -1.20 -1.43 119.26 117.83 2w3h h ALA 195 Ca 0.09 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2w3h h ALA 195 Cb 0.50 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2w3h h ALA 195 CO 0.03 0.52 0.56 0.00 0.00 0.00 0.00 179.25 180.36 2w3h h ALA 196 N 0.93 1.14 -0.51 0.00 0.00 -0.73 -2.07 119.26 118.02 2w3h h ALA 196 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2w3h h ALA 196 Cb 0.55 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2w3h h ALA 196 CO 0.03 0.42 0.30 0.78 0.00 0.00 0.00 179.25 180.78 2w3h h GLY 197 N 1.10 0.74 0.62 0.00 0.00 -0.60 0.84 103.07 105.77 2w3h h GLY 197 Ca 0.34 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.44 2w3h h GLY 197 CO -0.11 0.30 0.49 -2.22 0.00 0.00 0.00 176.54 175.00 2w3h h ILE 198 N 0.68 0.97 -0.14 2.60 2.04 -1.04 -0.91 117.51 121.72 2w3h h ILE 198 Ca 0.18 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2w3h h ILE 198 Cb -0.00 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 2w3h h ILE 198 CO -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 178.15 178.24 2w3h h ALA 199 N 1.43 0.19 -0.08 1.87 0.00 -0.78 -2.29 119.26 119.59 2w3h h ALA 199 Ca 0.38 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2w3h h ALA 199 Cb 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2w3h h ALA 199 CO -0.21 -0.06 0.04 0.28 0.00 0.00 0.00 179.25 179.30 2w3h h VAL 200 N -0.05 1.09 0.00 0.00 2.07 -0.67 0.24 116.25 118.92 2w3h h VAL 200 Ca 0.03 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2w3h h VAL 200 Cb 0.46 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2w3h h VAL 200 CO 0.01 0.07 -0.03 0.00 0.02 0.00 0.00 177.57 177.65 2w3h h ALA 201 N 0.95 1.65 0.00 1.67 0.00 -1.17 -2.62 119.26 119.73 2w3h h ALA 201 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2w3h h ALA 201 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2w3h h ALA 201 CO -0.00 0.04 -1.79 0.09 0.00 0.00 0.00 179.25 177.59 2w3h n ASN 202 N -4.08 0.56 -0.03 0.00 3.02 -0.86 -3.79 115.26 110.08 2w3h n ASN 202 Ca -0.03 -0.10 -0.05 0.00 -0.03 0.00 0.00 54.58 54.37 2w3h n ASN 202 Cb 0.12 1.80 0.16 0.00 -0.61 0.00 0.00 39.78 41.25 2w3h n ASN 202 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w3h h ALA 203 N 1.89 1.03 -0.00 5.41 0.00 -0.30 -3.50 119.26 123.79 2w3h h ALA 203 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2w3h h ALA 203 Cb 0.85 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2w3h h ALA 203 CO 0.00 0.58 0.00 -2.13 0.00 0.00 0.00 179.25 177.70