#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2q s ALA 62 N 0.00 3.72 0.13 2.41 0.00 -1.26 -4.98 121.76 121.78 2w2q s ALA 62 Ca 0.00 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.30 2w2q s ALA 62 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2w2q s ALA 62 CO 0.00 -0.77 -0.01 0.95 0.00 0.00 0.00 175.76 175.93 2w2q s THR 63 N 1.30 3.79 -0.13 0.00 -4.23 -1.23 -4.98 115.64 110.15 2w2q s THR 63 Ca 0.69 -1.24 -0.06 0.00 -1.18 0.00 0.00 61.69 59.90 2w2q s THR 63 Cb -0.41 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 2w2q s THR 63 CO 0.31 0.01 0.09 0.12 -0.54 0.00 0.00 174.62 174.61 2w2q s PHE 64 N -1.49 3.42 0.01 3.99 5.36 -1.26 -1.08 117.98 126.93 2w2q s PHE 64 Ca 0.26 0.35 0.06 0.00 -0.96 0.00 0.00 56.93 56.64 2w2q s PHE 64 Cb -0.10 -1.95 -0.02 0.00 -0.34 0.00 0.00 43.02 40.61 2w2q s PHE 64 CO 0.18 0.53 -0.17 -1.01 -1.46 0.00 0.00 175.22 173.29 2w2q s HIS 65 N -0.62 1.48 0.11 10.12 3.76 0.14 -4.96 115.29 125.32 2w2q s HIS 65 Ca 0.12 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.66 2w2q s HIS 65 Cb -0.12 -0.92 -0.02 0.00 1.11 0.00 0.00 32.58 32.63 2w2q s HIS 65 CO 0.02 0.02 0.12 -0.98 -0.85 0.00 0.00 174.74 173.07 2w2q s ARG 66 N -0.78 0.88 0.16 1.40 1.70 -1.26 -0.54 118.95 120.51 2w2q s ARG 66 Ca 0.05 -1.22 -0.31 0.00 -0.47 0.00 0.00 55.73 53.78 2w2q s ARG 66 Cb -0.07 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.50 2w2q s ARG 66 CO 0.00 -0.26 1.44 0.00 -1.08 0.00 0.00 175.30 175.40 2w2q h ALA 68 N 6.36 1.03 -2.13 0.00 0.00 -2.00 -3.38 119.26 119.14 2w2q h ALA 68 Ca -0.43 -0.02 -0.74 0.00 0.00 0.00 0.00 54.91 53.71 2w2q h ALA 68 Cb 1.21 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 2w2q h ALA 68 CO 0.86 0.03 -0.20 0.21 0.00 0.00 0.00 179.25 180.15 2w2q s LYS 69 N -3.86 3.00 0.22 0.00 2.20 -1.26 -4.99 119.74 115.06 2w2q s LYS 69 Ca -0.01 -1.53 -0.12 0.00 -0.36 0.00 0.00 55.97 53.95 2w2q s LYS 69 Cb 0.11 -4.24 0.29 0.00 -1.51 0.00 0.00 37.83 32.48 2w2q s LYS 69 CO 0.52 -1.26 1.63 -0.44 -0.36 0.00 0.00 175.35 175.43 2w2q h ASP 70 N 8.89 -0.54 -0.33 1.43 5.19 -2.00 -0.60 116.42 128.47 2w2q h ASP 70 Ca -0.29 0.19 0.10 0.00 -0.62 0.00 0.00 57.03 56.41 2w2q h ASP 70 Cb 1.10 0.39 -0.01 0.00 0.18 0.00 0.00 39.33 40.99 2w2q h ASP 70 CO 1.00 -0.20 0.38 -0.65 -3.12 0.00 0.00 179.24 176.65 2w2q h PRO 71 N 0.03 0.00 -0.02 3.56 0.11 -1.95 -2.21 132.00 131.52 2w2q h PRO 71 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 2w2q h PRO 71 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2w2q h PRO 71 CO -0.67 0.00 -0.11 0.91 -0.21 0.00 0.00 178.00 177.93 2w2q n TRP 72 N -3.67 0.00 -2.18 0.65 8.01 -0.23 -4.94 117.44 115.08 2w2q n TRP 72 Ca 0.05 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.86 2w2q n TRP 72 Cb 0.54 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.31 29.82 2w2q n TRP 72 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2w2q s ARG 73 N -2.13 3.83 -0.63 -0.99 0.52 -0.83 -0.78 118.95 117.94 2w2q s ARG 73 Ca 0.29 1.92 0.05 0.00 -0.52 0.00 0.00 55.73 57.47 2w2q s ARG 73 Cb 0.20 -2.55 0.20 0.00 0.52 0.00 0.00 34.95 33.31 2w2q s ARG 73 CO 0.38 -0.53 0.55 1.28 0.02 0.00 0.00 175.30 176.99 2w2q n LEU 74 N -0.23 2.60 -4.76 2.53 4.77 0.35 -4.82 117.00 117.45 2w2q n LEU 74 Ca 0.06 -5.14 -0.36 0.00 -0.03 0.00 0.00 56.01 50.54 2w2q n LEU 74 Cb 0.46 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2w2q n LEU 74 CO 0.51 1.87 0.86 -2.84 -1.33 0.00 0.00 177.39 176.46 2w2q s PRO 75 N -1.53 3.14 0.00 3.23 0.02 -1.26 -3.41 135.00 135.19 2w2q s PRO 75 Ca 0.31 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2w2q s PRO 75 Cb 0.03 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.50 2w2q s PRO 75 CO -0.13 -1.08 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 2w2q n GLY 76 N 0.52 0.47 3.06 0.52 0.00 -1.26 -5.04 105.19 103.46 2w2q n GLY 76 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2w2q n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w2q s THR 77 N -2.18 1.34 -0.00 2.61 2.01 -1.22 -1.62 115.64 116.57 2w2q s THR 77 Ca 0.00 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.41 2w2q s THR 77 Cb 0.00 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.30 2w2q s THR 77 CO 0.00 0.40 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.00 2w2q s TYR 78 N 0.63 0.20 -0.38 4.92 2.02 -0.47 -0.56 117.35 123.70 2w2q s TYR 78 Ca -0.15 -0.03 -0.16 0.00 -0.37 0.00 0.00 57.07 56.36 2w2q s TYR 78 Cb -0.16 -0.14 0.00 0.00 -0.40 0.00 0.00 41.96 41.26 2w2q s TYR 78 CO 0.04 -0.01 0.39 0.08 -1.57 0.00 0.00 175.55 174.48 2w2q s VAL 79 N 0.01 5.14 -0.41 0.71 1.01 0.33 -1.21 120.40 125.99 2w2q s VAL 79 Ca 0.00 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 2w2q s VAL 79 Cb -0.02 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2w2q s VAL 79 CO -0.00 -0.25 0.85 -0.69 0.00 0.00 0.00 175.10 175.00 2w2q s VAL 80 N 2.04 4.61 -0.24 2.92 1.01 -0.23 -1.49 120.40 129.02 2w2q s VAL 80 Ca 0.11 0.79 -0.09 0.00 0.00 0.00 0.00 61.98 62.79 2w2q s VAL 80 Cb -0.17 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2w2q s VAL 80 CO 0.12 -0.63 0.11 -0.69 0.00 0.00 0.00 175.10 174.01 2w2q s VAL 81 N 3.40 4.88 0.42 2.92 1.01 0.11 -1.59 120.40 131.55 2w2q s VAL 81 Ca 0.34 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.34 2w2q s VAL 81 Cb -0.12 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2w2q s VAL 81 CO 0.21 0.35 0.63 -0.76 0.00 0.00 0.00 175.10 175.54 2w2q s LEU 82 N 1.19 3.74 0.73 3.92 1.43 0.38 -0.34 118.68 129.74 2w2q s LEU 82 Ca 0.06 0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 2w2q s LEU 82 Cb -0.14 -3.16 0.04 0.00 0.03 0.00 0.00 46.19 42.96 2w2q s LEU 82 CO 0.05 -0.61 1.25 -0.54 0.23 0.00 0.00 176.35 176.73 2w2q s LYS 83 N -4.48 2.06 0.20 1.70 1.02 0.14 -4.56 119.74 115.81 2w2q s LYS 83 Ca 0.47 1.90 -0.15 0.00 0.02 0.00 0.00 55.97 58.21 2w2q s LYS 83 Cb -0.10 -1.81 0.20 0.00 -0.52 0.00 0.00 37.83 35.61 2w2q s LYS 83 CO 0.37 -1.93 1.62 1.49 -0.92 0.00 0.00 175.35 175.98 2w2q h GLU 84 N -0.23 -0.04 -0.81 1.68 4.81 -1.95 -2.37 114.58 115.66 2w2q h GLU 84 Ca -0.48 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.42 2w2q h GLU 84 Cb 1.32 0.01 -0.20 0.00 0.63 0.00 0.00 28.75 30.51 2w2q h GLU 84 CO 0.49 -0.03 0.40 0.39 -0.73 0.00 0.00 179.01 179.54 2w2q n GLU 85 N -5.43 3.02 -2.10 1.92 1.02 -1.26 -4.70 120.64 113.11 2w2q n GLU 85 Ca 0.06 -3.07 -0.42 0.00 -0.02 0.00 0.00 57.16 53.72 2w2q n GLU 85 Cb 0.33 -2.17 -0.03 0.00 -0.02 0.00 0.00 31.44 29.54 2w2q n GLU 85 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2w2q s THR 86 N -3.13 3.07 0.63 2.62 2.01 -0.90 -5.02 115.64 114.92 2w2q s THR 86 Ca 0.55 0.79 -0.12 0.00 0.31 0.00 0.00 61.69 63.22 2w2q s THR 86 Cb 0.45 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 2w2q s THR 86 CO 0.12 0.07 1.03 -1.00 -0.69 0.00 0.00 174.62 174.15 2w2q s HIS 87 N 0.91 3.44 0.26 4.92 3.76 -1.26 -4.82 115.29 122.49 2w2q s HIS 87 Ca 0.65 1.36 -0.04 0.00 -0.15 0.00 0.00 55.06 56.87 2w2q s HIS 87 Cb -0.39 -2.79 0.35 0.00 1.11 0.00 0.00 32.58 30.86 2w2q s HIS 87 CO 0.32 -0.82 1.89 1.25 -0.85 0.00 0.00 174.74 176.53 2w2q h LEU 88 N -0.25 1.04 -1.18 0.89 5.85 -1.95 -1.68 115.31 118.03 2w2q h LEU 88 Ca -0.44 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2w2q h LEU 88 Cb 1.20 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 2w2q h LEU 88 CO 0.60 0.69 0.38 0.77 -0.34 0.00 0.00 178.44 180.54 2w2q h SER 89 N 1.19 0.84 -0.08 1.25 4.64 -1.99 -1.91 113.55 117.48 2w2q h SER 89 Ca 0.40 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.53 2w2q h SER 89 Cb 0.07 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2w2q h SER 89 CO -0.14 0.67 -0.40 1.56 -0.87 0.00 0.00 176.83 177.65 2w2q h GLN 90 N 0.95 0.61 -0.53 4.77 4.20 -1.71 -1.86 115.11 121.53 2w2q h GLN 90 Ca 0.24 -0.31 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 2w2q h GLN 90 Cb 0.02 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2w2q h GLN 90 CO -0.04 0.90 -0.08 1.03 -0.67 0.00 0.00 178.83 179.97 2w2q h SER 91 N 0.50 1.00 -0.31 1.46 0.87 -0.95 -1.36 113.55 114.76 2w2q h SER 91 Ca 0.04 -0.34 -0.13 0.00 -1.23 0.00 0.00 61.79 60.13 2w2q h SER 91 Cb 0.91 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2w2q h SER 91 CO 0.08 1.10 -0.28 -0.33 -0.53 0.00 0.00 176.83 176.87 2w2q h GLU 92 N 0.87 0.82 -0.57 2.24 5.08 -1.33 -1.67 114.58 120.02 2w2q h GLU 92 Ca 0.14 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2w2q h GLU 92 Cb 0.64 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2w2q h GLU 92 CO 0.04 1.00 0.27 -0.09 -1.00 0.00 0.00 179.01 179.23 2w2q h ARG 93 N 0.70 0.81 -0.56 2.33 2.43 -1.17 -1.01 114.38 117.91 2w2q h ARG 93 Ca 0.08 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 2w2q h ARG 93 Cb 0.82 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2w2q h ARG 93 CO 0.07 0.66 -0.05 1.15 -1.51 0.00 0.00 179.97 180.29 2w2q h THR 94 N 0.77 1.26 -0.40 0.20 2.02 -1.16 -0.43 112.91 115.17 2w2q h THR 94 Ca 0.19 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 2w2q h THR 94 Cb 0.11 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2w2q h THR 94 CO -0.02 0.42 0.12 0.00 0.37 0.00 0.00 175.52 176.41 2w2q h ALA 95 N 1.03 0.53 -0.87 6.16 0.00 -1.13 -0.99 119.26 123.99 2w2q h ALA 95 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2w2q h ALA 95 Cb 0.59 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2w2q h ALA 95 CO 0.04 0.18 0.44 0.00 0.00 0.00 0.00 179.25 179.90 2w2q h ARG 96 N 0.51 1.24 -0.26 0.00 3.08 -1.03 -2.10 114.38 115.81 2w2q h ARG 96 Ca 0.13 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2w2q h ARG 96 Cb 0.27 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2w2q h ARG 96 CO -0.00 0.93 0.17 -0.09 -1.07 0.00 0.00 179.97 179.91 2w2q h ARG 97 N 1.23 0.35 -0.24 0.04 2.43 -0.84 -0.52 114.38 116.83 2w2q h ARG 97 Ca 0.30 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.51 2w2q h ARG 97 Cb 0.09 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 2w2q h ARG 97 CO -0.04 0.25 -0.22 1.25 -1.51 0.00 0.00 179.97 179.70 2w2q h LEU 98 N 0.35 -0.70 -0.25 3.80 5.85 -0.95 0.86 115.31 124.27 2w2q h LEU 98 Ca 0.10 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.96 2w2q h LEU 98 Cb -0.02 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2w2q h LEU 98 CO -0.02 -0.26 0.15 1.56 -0.34 0.00 0.00 178.44 179.53 2w2q h GLN 99 N -0.22 0.30 -0.17 1.25 4.20 -1.24 -1.61 115.11 117.62 2w2q h GLN 99 Ca 0.14 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2w2q h GLN 99 Cb 0.43 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2w2q h GLN 99 CO -0.37 0.20 0.06 0.00 -0.67 0.00 0.00 178.83 178.05 2w2q h ALA 100 N 1.11 0.22 -0.77 3.87 0.00 -0.80 -1.26 119.26 121.64 2w2q h ALA 100 Ca 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2w2q h ALA 100 Cb -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2w2q h ALA 100 CO -0.04 -0.18 0.48 1.96 0.00 0.00 0.00 179.25 181.47 2w2q h GLN 101 N 0.11 1.03 -0.06 0.00 4.20 -0.81 -2.86 115.11 116.73 2w2q h GLN 101 Ca 0.06 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2w2q h GLN 101 Cb 0.19 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2w2q h GLN 101 CO -0.00 0.71 -0.02 0.00 -0.67 0.00 0.00 178.83 178.85 2w2q h ALA 102 N 1.26 0.08 -0.67 3.87 0.00 -1.19 -2.94 119.26 119.66 2w2q h ALA 102 Ca 0.28 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2w2q h ALA 102 Cb -0.07 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 2w2q h ALA 102 CO -0.05 -0.20 0.18 0.00 0.00 0.00 0.00 179.25 179.17 2w2q h ALA 103 N 0.64 0.85 0.00 0.00 0.00 -0.95 0.27 119.26 120.07 2w2q h ALA 103 Ca 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2w2q h ALA 103 Cb 0.43 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2w2q h ALA 103 CO 0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 179.25 178.85 2w2q h ARG 104 N 0.30 0.00 -0.12 0.00 3.08 -1.51 -0.49 114.38 115.65 2w2q h ARG 104 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2w2q h ARG 104 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2w2q h ARG 104 CO -0.43 0.12 0.00 0.54 -1.07 0.00 0.00 179.97 179.13 2w2q n ARG 105 N -3.40 1.95 -0.15 0.04 1.74 -0.27 -4.95 116.66 111.62 2w2q n ARG 105 Ca -0.01 -1.40 0.00 0.00 -0.77 0.00 0.00 57.85 55.67 2w2q n ARG 105 Cb 0.30 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2w2q n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2w2q n GLY 106 N 1.25 0.96 3.31 -0.13 0.00 -0.19 -5.07 105.19 105.31 2w2q n GLY 106 Ca 0.17 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2w2q n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2w2q s TYR 107 N -2.00 2.57 0.02 1.61 2.02 -0.08 -4.96 117.35 116.54 2w2q s TYR 107 Ca 0.00 -0.70 -0.29 0.00 -0.37 0.00 0.00 57.07 55.71 2w2q s TYR 107 Cb 0.00 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 2w2q s TYR 107 CO 0.00 -0.21 0.95 -1.17 -1.57 0.00 0.00 175.55 173.55 2w2q s LEU 108 N -0.03 4.39 0.06 -1.29 0.20 -1.26 -2.56 118.68 118.19 2w2q s LEU 108 Ca -0.06 1.64 0.08 0.00 0.69 0.00 0.00 54.13 56.47 2w2q s LEU 108 Cb -0.15 -3.52 -0.03 0.00 -0.43 0.00 0.00 46.19 42.06 2w2q s LEU 108 CO 0.05 -0.20 -0.21 0.42 -0.29 0.00 0.00 176.35 176.11 2w2q s THR 109 N 0.76 1.71 -0.20 3.68 -4.23 -1.26 -4.58 115.64 111.52 2w2q s THR 109 Ca 0.49 -1.28 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 2w2q s THR 109 Cb -0.21 -1.50 0.03 0.00 1.34 0.00 0.00 72.50 72.16 2w2q s THR 109 CO 0.27 0.16 -0.17 -0.54 -0.54 0.00 0.00 174.62 173.81 2w2q s LYS 110 N -1.34 2.70 -0.41 3.99 1.02 -0.29 -4.99 119.74 120.42 2w2q s LYS 110 Ca 0.08 -0.96 -0.26 0.00 0.02 0.00 0.00 55.97 54.84 2w2q s LYS 110 Cb -0.09 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 2w2q s LYS 110 CO 0.02 -0.32 0.95 0.42 -0.92 0.00 0.00 175.35 175.50 2w2q s ILE 111 N 1.25 4.51 -0.05 2.17 -1.09 -1.26 -0.63 121.20 126.11 2w2q s ILE 111 Ca 0.01 1.06 0.11 0.00 -2.23 0.00 0.00 60.65 59.60 2w2q s ILE 111 Cb -0.15 -4.39 -0.23 0.00 -1.58 0.00 0.00 42.46 36.10 2w2q s ILE 111 CO -0.10 -0.68 0.66 0.18 -1.23 0.00 0.00 174.94 173.77 2w2q n LEU 112 N 7.00 1.00 -3.63 2.97 4.77 0.42 -4.96 117.00 124.57 2w2q n LEU 112 Ca 0.07 0.41 -0.11 0.00 -0.03 0.00 0.00 56.01 56.35 2w2q n LEU 112 Cb 0.48 0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 2w2q n LEU 112 CO 0.61 0.42 0.48 -2.28 -1.33 0.00 0.00 177.39 175.29 2w2q s HIS 113 N -2.60 -0.77 -0.17 -1.77 5.04 -1.18 -4.98 115.29 108.86 2w2q s HIS 113 Ca -0.06 1.79 -0.03 0.00 -1.54 0.00 0.00 55.06 55.22 2w2q s HIS 113 Cb 0.08 0.36 -0.02 0.00 0.04 0.00 0.00 32.58 33.04 2w2q s HIS 113 CO 0.82 -0.37 -0.07 0.08 -2.34 0.00 0.00 174.74 172.86 2w2q s VAL 114 N 0.64 3.45 0.07 0.89 1.01 -1.26 0.23 120.40 125.41 2w2q s VAL 114 Ca -0.02 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 2w2q s VAL 114 Cb -0.05 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2w2q s VAL 114 CO -0.05 0.48 0.86 -0.36 0.00 0.00 0.00 175.10 176.02 2w2q s PHE 115 N 0.76 3.76 -0.31 5.22 0.08 0.55 -4.98 117.98 123.05 2w2q s PHE 115 Ca -0.03 1.62 0.01 0.00 0.12 0.00 0.00 56.93 58.65 2w2q s PHE 115 Cb -0.15 -2.93 0.15 0.00 -0.57 0.00 0.00 43.02 39.52 2w2q s PHE 115 CO 0.02 0.22 0.36 -3.38 -0.10 0.00 0.00 175.22 172.34 2w2q s HIS 116 N 0.06 -0.64 0.00 0.36 -3.43 -1.26 -4.18 115.29 106.20 2w2q s HIS 116 Ca 0.43 -0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.54 2w2q s HIS 116 Cb -0.22 -0.33 0.00 0.00 -1.43 0.00 0.00 32.58 30.60 2w2q s HIS 116 CO 0.26 -0.96 0.00 0.41 -2.00 0.00 0.00 174.74 172.45 2w2q n GLY 117 N 5.06 -0.54 0.07 -1.38 0.00 -1.26 -4.99 105.19 102.15 2w2q n GLY 117 Ca 0.02 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 2w2q n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2w2q h LEU 118 N 0.00 0.00 -8.07 0.99 3.38 -2.03 -3.49 115.31 106.09 2w2q h LEU 118 Ca 0.00 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 2w2q h LEU 118 Cb 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.57 2w2q h LEU 118 CO 0.00 0.91 -0.66 -1.48 0.09 0.00 0.00 178.44 177.30 2w2q s LEU 119 N -8.23 2.25 0.06 1.67 0.05 -1.26 -5.14 118.68 108.09 2w2q s LEU 119 Ca -0.15 -0.71 -0.30 0.00 0.05 0.00 0.00 54.13 53.02 2w2q s LEU 119 Cb 0.01 0.24 -0.05 0.00 -2.05 0.00 0.00 46.19 44.35 2w2q s LEU 119 CO 0.34 -0.47 1.06 -2.84 -0.55 0.00 0.00 176.35 173.89 2w2q s PRO 120 N -2.71 4.55 0.00 1.48 0.02 -1.26 -4.31 135.00 132.77 2w2q s PRO 120 Ca -0.04 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.54 2w2q s PRO 120 Cb -0.01 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.12 2w2q s PRO 120 CO -0.05 -0.05 0.00 0.41 -0.33 0.00 0.00 177.00 176.98 2w2q n GLY 121 N 2.76 -0.73 3.36 0.52 0.00 -1.26 -0.47 105.19 109.38 2w2q n GLY 121 Ca 0.06 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 2w2q n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2w2q s PHE 122 N -2.85 -0.35 -0.25 1.61 -0.71 -0.62 -0.33 117.98 114.47 2w2q s PHE 122 Ca 0.00 0.17 -0.09 0.00 -1.04 0.00 0.00 56.93 55.97 2w2q s PHE 122 Cb 0.00 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 2w2q s PHE 122 CO 0.00 -0.72 0.12 -1.17 -1.34 0.00 0.00 175.22 172.12 2w2q s LEU 123 N -2.52 3.79 -0.01 -1.99 2.96 0.13 -1.07 118.68 119.97 2w2q s LEU 123 Ca -0.00 -0.05 0.06 0.00 -0.22 0.00 0.00 54.13 53.92 2w2q s LEU 123 Cb 0.00 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 2w2q s LEU 123 CO -0.09 0.01 -0.20 0.54 -1.32 0.00 0.00 176.35 175.28 2w2q s VAL 124 N 1.40 1.59 -0.21 1.68 0.11 -0.35 -0.43 120.40 124.19 2w2q s VAL 124 Ca 0.06 -0.89 -0.06 0.00 -2.93 0.00 0.00 61.98 58.17 2w2q s VAL 124 Cb -0.15 -1.33 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 2w2q s VAL 124 CO 0.06 0.43 0.02 -0.75 -3.33 0.00 0.00 175.10 171.53 2w2q s LYS 125 N -0.53 3.64 0.21 1.54 2.20 0.20 -1.37 119.74 125.64 2w2q s LYS 125 Ca 0.08 -0.50 -0.22 0.00 -0.36 0.00 0.00 55.97 54.97 2w2q s LYS 125 Cb -0.08 -3.14 0.07 0.00 -1.51 0.00 0.00 37.83 33.17 2w2q s LYS 125 CO -0.01 -0.02 0.97 0.00 -0.36 0.00 0.00 175.35 175.93 2w2q s MET 126 N 1.10 1.44 0.37 4.03 0.23 -0.64 -1.13 119.30 124.70 2w2q s MET 126 Ca 0.03 -0.89 -0.26 0.00 -1.03 0.00 0.00 55.69 53.54 2w2q s MET 126 Cb -0.14 0.43 -0.09 0.00 -1.53 0.00 0.00 34.83 33.49 2w2q s MET 126 CO 0.02 -0.67 1.14 0.45 -2.03 0.00 0.00 175.02 173.94 2w2q s SER 127 N -3.21 6.73 0.58 -1.18 0.15 -1.26 -4.50 113.70 111.02 2w2q s SER 127 Ca 0.18 2.30 0.35 0.00 0.70 0.00 0.00 55.95 59.48 2w2q s SER 127 Cb -0.03 -2.61 1.79 0.00 -1.71 0.00 0.00 66.02 63.45 2w2q s SER 127 CO 0.05 -0.52 2.17 1.23 1.20 0.00 0.00 173.24 177.37 2w2q h GLY 128 N 2.91 0.00 0.57 9.45 0.00 -1.99 -2.53 103.07 111.49 2w2q h GLY 128 Ca -0.48 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.01 2w2q h GLY 128 CO 0.64 0.00 0.55 -0.55 0.00 0.00 0.00 176.54 177.18 2w2q h ASP 129 N 0.00 0.00 -0.16 0.19 3.32 -2.05 -2.25 116.42 115.47 2w2q h ASP 129 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2w2q h ASP 129 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2w2q h ASP 129 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 2w2q n LEU 130 N -3.80 2.22 -0.20 1.55 4.77 -0.95 -4.16 117.00 116.43 2w2q n LEU 130 Ca 0.11 -0.87 -0.03 0.00 -0.03 0.00 0.00 56.01 55.19 2w2q n LEU 130 Cb 0.77 -0.10 0.16 0.00 -2.33 0.00 0.00 43.42 41.92 2w2q n LEU 130 CO 0.30 0.44 1.06 -0.07 -1.33 0.00 0.00 177.39 177.78 2w2q h LEU 131 N 3.11 0.91 -0.09 2.23 3.38 -1.59 -1.46 115.31 121.80 2w2q h LEU 131 Ca 0.00 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2w2q h LEU 131 Cb 0.67 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2w2q h LEU 131 CO 0.00 0.81 -0.08 -0.33 0.09 0.00 0.00 178.44 178.93 2w2q h GLU 132 N 0.97 -0.10 -0.57 1.13 5.08 -1.81 -0.46 114.58 118.82 2w2q h GLU 132 Ca 0.23 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 2w2q h GLU 132 Cb 0.19 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2w2q h GLU 132 CO -0.02 -0.07 -0.03 1.37 -1.00 0.00 0.00 179.01 179.26 2w2q h LEU 133 N -0.10 1.02 -0.70 1.33 8.10 -1.79 -3.01 115.31 120.16 2w2q h LEU 133 Ca 0.06 -0.32 -0.10 0.00 0.11 0.00 0.00 57.88 57.64 2w2q h LEU 133 Cb 0.19 -0.27 -0.02 0.00 -0.44 0.00 0.00 40.66 40.12 2w2q h LEU 133 CO -0.15 1.09 -0.04 0.00 -4.11 0.00 0.00 178.44 175.23 2w2q h ALA 134 N 0.96 0.90 0.00 0.17 0.00 -1.08 -1.73 119.26 118.48 2w2q h ALA 134 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2w2q h ALA 134 Cb 0.59 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2w2q h ALA 134 CO 0.04 0.64 0.00 -0.07 0.00 0.00 0.00 179.25 179.86 2w2q h LEU 135 N 0.88 0.00 -1.16 0.00 3.38 -1.04 -2.36 115.31 115.01 2w2q h LEU 135 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2w2q h LEU 135 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2w2q h LEU 135 CO 0.03 0.00 -0.19 0.29 0.09 0.00 0.00 178.44 178.66 2w2q n LYS 136 N -2.73 1.55 -2.08 1.13 5.02 -0.67 -4.56 118.16 115.82 2w2q n LYS 136 Ca -0.00 -1.16 -0.35 0.00 -2.02 0.00 0.00 58.31 54.78 2w2q n LYS 136 Cb 0.17 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.73 2w2q n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2w2q s LEU 137 N -2.24 3.65 0.59 -0.35 1.43 -0.89 -5.00 118.68 115.87 2w2q s LEU 137 Ca 0.27 2.21 -0.18 0.00 -1.03 0.00 0.00 54.13 55.40 2w2q s LEU 137 Cb 0.19 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.80 2w2q s LEU 137 CO 0.43 -1.42 1.14 -2.16 0.23 0.00 0.00 176.35 174.57 2w2q s PRO 138 N -3.45 3.09 0.00 1.29 0.04 -1.26 -3.46 135.00 131.24 2w2q s PRO 138 Ca 0.73 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2w2q s PRO 138 Cb -0.25 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2w2q s PRO 138 CO 0.31 -1.06 0.00 0.72 0.04 0.00 0.00 177.00 177.02 2w2q n HIS 139 N -1.74 0.00 -1.98 0.56 8.25 -1.26 -4.94 115.22 114.11 2w2q n HIS 139 Ca 0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 2w2q n HIS 139 Cb 0.51 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 2w2q n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2w2q s VAL 140 N -2.53 3.24 -0.16 1.59 1.01 -1.22 0.25 120.40 122.57 2w2q s VAL 140 Ca 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 2w2q s VAL 140 Cb 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 2w2q s VAL 140 CO 0.00 -0.01 -0.01 -0.78 0.00 0.00 0.00 175.10 174.29 2w2q h ASP 141 N 8.48 0.00 -5.03 3.32 3.58 -0.93 -3.42 116.42 122.41 2w2q h ASP 141 Ca -0.41 -0.19 0.01 0.00 0.42 0.00 0.00 57.03 56.86 2w2q h ASP 141 Cb 1.19 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.16 2w2q h ASP 141 CO 0.93 0.97 0.15 -0.72 -2.88 0.00 0.00 179.24 177.69 2w2q s TYR 142 N -2.22 -0.25 -0.09 0.28 1.13 -0.89 -3.55 117.35 111.74 2w2q s TYR 142 Ca -0.18 -0.10 0.03 0.00 -1.41 0.00 0.00 57.07 55.41 2w2q s TYR 142 Cb 0.03 0.56 0.01 0.00 -1.10 0.00 0.00 41.96 41.45 2w2q s TYR 142 CO 0.33 -1.02 -0.16 0.42 -2.51 0.00 0.00 175.55 172.61 2w2q s ILE 143 N -3.86 1.50 -0.14 -3.49 1.01 -0.24 -0.71 121.20 115.27 2w2q s ILE 143 Ca 0.08 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.07 2w2q s ILE 143 Cb -0.03 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.10 2w2q s ILE 143 CO -0.02 0.44 -0.19 -0.70 0.00 0.00 0.00 174.94 174.47 2w2q s GLU 144 N 0.69 3.11 0.19 2.79 2.12 -0.56 0.23 118.70 127.27 2w2q s GLU 144 Ca -0.13 -0.81 -0.30 0.00 0.36 0.00 0.00 54.97 54.09 2w2q s GLU 144 Cb -0.16 -2.52 -0.09 0.00 0.26 0.00 0.00 34.13 31.63 2w2q s GLU 144 CO 0.03 0.01 1.35 -2.00 -0.54 0.00 0.00 175.26 174.11 2w2q s GLU 145 N 0.79 4.36 0.75 4.30 2.12 0.30 -0.51 118.70 130.81 2w2q s GLU 145 Ca -0.07 2.09 -0.15 0.00 0.36 0.00 0.00 54.97 57.21 2w2q s GLU 145 Cb -0.16 -3.19 0.04 0.00 0.26 0.00 0.00 34.13 31.08 2w2q s GLU 145 CO -0.01 -0.32 1.13 -3.47 -0.54 0.00 0.00 175.26 172.06 2w2q n ASP 146 N 2.88 0.99 -3.98 -1.70 2.03 0.27 -4.59 116.55 112.45 2w2q n ASP 146 Ca 0.07 0.65 -0.10 0.00 0.52 0.00 0.00 54.79 55.94 2w2q n ASP 146 Cb 0.42 -1.48 -0.07 0.00 -0.72 0.00 0.00 41.12 39.28 2w2q n ASP 146 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2w2q s SER 147 N -1.82 -0.00 0.37 1.67 1.04 -1.26 -0.50 113.70 113.21 2w2q s SER 147 Ca 0.75 -0.92 -0.24 0.00 0.48 0.00 0.00 55.95 56.02 2w2q s SER 147 Cb -0.32 0.48 -0.10 0.00 0.10 0.00 0.00 66.02 66.18 2w2q s SER 147 CO 0.49 -0.96 0.99 -0.44 0.98 0.00 0.00 173.24 174.29 2w2q s SER 148 N -3.00 7.03 0.18 7.02 0.01 0.04 -4.89 113.70 120.10 2w2q s SER 148 Ca 0.20 1.89 0.10 0.00 1.31 0.00 0.00 55.95 59.45 2w2q s SER 148 Cb 0.02 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2w2q s SER 148 CO 0.04 -0.29 -0.21 0.68 0.41 0.00 0.00 173.24 173.87 2w2q s VAL 149 N -1.74 2.07 -0.01 3.43 -7.23 -1.26 -5.02 120.40 110.64 2w2q s VAL 149 Ca 0.55 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 2w2q s VAL 149 Cb -0.18 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.78 2w2q s VAL 149 CO 0.23 -0.24 -0.03 -0.36 -0.31 0.00 0.00 175.10 174.38 2w2q s PHE 150 N -1.93 0.37 0.11 2.82 0.08 -1.26 -5.12 117.98 113.05 2w2q s PHE 150 Ca 0.19 -0.06 -0.36 0.00 0.12 0.00 0.00 56.93 56.81 2w2q s PHE 150 Cb -0.07 -0.28 -0.16 0.00 -0.57 0.00 0.00 43.02 41.94 2w2q s PHE 150 CO 0.08 -0.03 1.32 0.00 -0.10 0.00 0.00 175.22 176.49 2w2q n ALA 151 N 3.21 -0.73 0.68 5.36 0.00 -1.26 -5.37 120.51 122.40 2w2q n ALA 151 Ca -0.15 0.50 0.08 0.00 0.00 0.00 0.00 53.44 53.87 2w2q n ALA 151 Cb 0.57 -2.09 0.07 0.00 0.00 0.00 0.00 19.45 18.00 2w2q n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54