#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2b h THR 59 N 0.00 0.73 0.05 0.00 2.02 -1.98 -1.53 112.91 112.19 3h2b h THR 59 Ca 0.00 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.95 3h2b h THR 59 Cb 0.00 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.37 3h2b h THR 59 CO 0.00 0.13 -0.07 0.44 0.37 0.00 0.00 175.52 176.39 3h2b h ASP 60 N 0.70 -0.19 0.35 4.18 3.32 -2.03 0.27 116.42 123.03 3h2b h ASP 60 Ca 0.54 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.48 3h2b h ASP 60 Cb 0.92 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3h2b h ASP 60 CO -0.31 -0.11 -0.55 -2.24 -1.72 0.00 0.00 179.24 174.32 3h2b h ASP 61 N -0.15 0.23 -0.19 6.45 2.03 -1.91 -2.81 116.42 120.07 3h2b h ASP 61 Ca 0.01 -0.12 -0.06 0.00 -0.73 0.00 0.00 57.03 56.13 3h2b h ASP 61 Cb 0.15 -0.07 -0.00 0.00 -0.83 0.00 0.00 39.33 38.58 3h2b h ASP 61 CO -0.04 0.73 -0.13 0.58 -1.03 0.00 0.00 179.24 179.36 3h2b h VAL 62 N 0.16 1.32 -0.84 4.15 2.07 -1.04 -2.03 116.25 120.04 3h2b h VAL 62 Ca 0.00 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 3h2b h VAL 62 Cb 1.02 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 3h2b h VAL 62 CO 0.08 0.37 0.41 0.77 0.02 0.00 0.00 177.57 179.23 3h2b h SER 63 N 0.11 1.10 1.22 0.57 4.64 -0.46 -1.65 113.55 119.08 3h2b h SER 63 Ca 0.04 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 3h2b h SER 63 Cb 0.64 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3h2b h SER 63 CO 0.04 0.92 -0.20 0.07 -0.87 0.00 0.00 176.83 176.79 3h2b h LYS 64 N 1.20 0.00 -0.29 4.77 2.10 -1.48 -2.38 116.57 120.49 3h2b h LYS 64 Ca 0.29 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.78 3h2b h LYS 64 Cb 0.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 3h2b h LYS 64 CO -0.04 0.20 -0.45 0.00 -2.00 0.00 0.00 179.45 177.17 3h2b h ALA 65 N 1.80 0.67 0.00 0.07 0.00 -0.58 -2.12 119.26 119.10 3h2b h ALA 65 Ca -0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3h2b h ALA 65 Cb 0.87 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3h2b h ALA 65 CO 0.03 0.67 -0.27 1.88 0.00 0.00 0.00 179.25 181.56 3h2b h TYR 66 N 0.59 0.00 -0.28 0.00 0.05 -1.11 -2.90 116.97 113.31 3h2b h TYR 66 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3h2b h TYR 66 Cb 1.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.75 3h2b h TYR 66 CO 0.05 0.27 0.00 -1.13 -1.05 0.00 0.00 178.16 176.30 3h2b n SER 67 N -3.31 2.68 -4.73 3.88 3.41 -0.91 -4.75 113.62 109.89 3h2b n SER 67 Ca 0.01 -1.88 -0.42 0.00 -0.26 0.00 0.00 58.87 56.32 3h2b n SER 67 Cb 0.52 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3h2b n SER 67 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3h2b s SER 68 N -1.54 6.64 0.13 4.04 0.15 -0.81 -4.59 113.70 117.71 3h2b s SER 68 Ca 0.35 2.60 0.12 0.00 0.70 0.00 0.00 55.95 59.73 3h2b s SER 68 Cb 0.20 -2.61 0.59 0.00 -1.71 0.00 0.00 66.02 62.50 3h2b s SER 68 CO 0.29 -0.75 1.38 -0.81 1.20 0.00 0.00 173.24 174.55 3h2b n PRO 69 N 3.29 0.07 -0.08 5.44 -0.04 -1.26 -1.16 135.00 141.26 3h2b n PRO 69 Ca 0.11 0.48 0.10 0.00 -0.04 0.00 0.00 63.50 64.15 3h2b n PRO 69 Cb 0.40 -1.68 0.37 0.00 -0.04 0.00 0.00 33.50 32.54 3h2b n PRO 69 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3h2b n THR 70 N -1.82 0.21 -3.82 0.52 5.66 -1.26 -4.57 114.28 109.18 3h2b n THR 70 Ca 0.01 -0.32 -0.30 0.00 -3.05 0.00 0.00 64.05 60.39 3h2b n THR 70 Cb 0.08 0.29 -0.14 0.00 -1.55 0.00 0.00 70.33 69.00 3h2b n THR 70 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3h2b s PHE 71 N -1.79 2.52 -0.83 1.09 5.36 -0.31 -5.06 117.98 118.96 3h2b s PHE 71 Ca 0.31 -2.57 -0.24 0.00 -0.96 0.00 0.00 56.93 53.47 3h2b s PHE 71 Cb 0.16 -2.25 0.06 0.00 -0.34 0.00 0.00 43.02 40.65 3h2b s PHE 71 CO 0.25 -0.82 1.24 0.16 -1.46 0.00 0.00 175.22 174.58 3h2b s ASP 72 N 0.53 6.33 0.46 6.13 3.84 -1.26 -4.80 116.67 127.90 3h2b s ASP 72 Ca 0.15 -1.10 0.22 0.00 -0.00 0.00 0.00 52.55 51.81 3h2b s ASP 72 Cb -0.23 -2.51 1.11 0.00 -1.38 0.00 0.00 42.92 39.91 3h2b s ASP 72 CO -0.06 -1.54 1.95 0.00 -0.00 0.00 0.00 175.17 175.52 3h2b h ALA 73 N 9.68 1.28 -0.59 2.11 0.00 -1.93 -2.58 119.26 127.25 3h2b h ALA 73 Ca -0.08 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3h2b h ALA 73 Cb 1.04 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3h2b h ALA 73 CO 1.28 0.28 0.28 0.93 0.00 0.00 0.00 179.25 182.01 3h2b h GLU 74 N 0.00 0.51 0.17 0.00 3.07 -1.88 0.38 114.58 116.83 3h2b h GLU 74 Ca -0.00 -0.03 -0.28 0.00 -0.50 0.00 0.00 59.36 58.55 3h2b h GLU 74 Cb 0.51 -0.12 0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3h2b h GLU 74 CO 0.03 0.34 -1.32 0.00 -1.40 0.00 0.00 179.01 176.65 3h2b h ALA 75 N 1.34 0.02 0.21 3.43 0.00 -1.89 -2.45 119.26 119.92 3h2b h ALA 75 Ca 0.27 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3h2b h ALA 75 Cb 0.23 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3h2b h ALA 75 CO -0.21 0.70 -0.10 -0.07 0.00 0.00 0.00 179.25 179.57 3h2b h LEU 76 N -0.15 -0.24 -0.28 0.00 3.38 -1.36 -3.34 115.31 113.33 3h2b h LEU 76 Ca -0.26 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.28 3h2b h LEU 76 Cb 1.88 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 3h2b h LEU 76 CO 0.15 0.29 -0.88 -0.07 0.09 0.00 0.00 178.44 178.03 3h2b h LEU 77 N -0.96 0.18 0.00 1.67 4.07 -0.49 -3.50 115.31 116.28 3h2b h LEU 77 Ca -0.03 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3h2b h LEU 77 Cb 0.46 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.14 3h2b h LEU 77 CO 0.05 0.97 0.00 0.61 -1.08 0.00 0.00 178.44 178.99 3h2b n GLY 78 N 0.90 -0.62 0.06 0.83 0.00 -0.76 -4.90 105.19 100.70 3h2b n GLY 78 Ca -0.03 -1.50 0.06 0.00 0.00 0.00 0.00 46.02 44.56 3h2b n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h2b n THR 79 N 0.00 0.00 -4.01 2.61 -2.24 -1.24 -4.58 114.28 104.82 3h2b n THR 79 Ca 0.00 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 3h2b n THR 79 Cb 0.00 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.14 3h2b n THR 79 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3h2b s VAL 80 N -2.14 0.26 0.07 2.28 0.11 -1.26 -4.32 120.40 115.40 3h2b s VAL 80 Ca 0.06 -0.67 -0.24 0.00 -2.93 0.00 0.00 61.98 58.20 3h2b s VAL 80 Cb 0.10 -0.33 -0.06 0.00 -1.53 0.00 0.00 36.38 34.56 3h2b s VAL 80 CO 0.50 -0.27 0.74 -0.63 -3.33 0.00 0.00 175.10 172.12 3h2b s ILE 81 N -0.93 4.66 0.38 7.04 -1.09 -1.26 -5.05 121.20 124.94 3h2b s ILE 81 Ca -0.08 1.60 -0.24 0.00 -2.23 0.00 0.00 60.65 59.69 3h2b s ILE 81 Cb -0.07 -4.09 -0.10 0.00 -1.58 0.00 0.00 42.46 36.62 3h2b s ILE 81 CO -0.00 0.42 0.97 -0.55 -1.23 0.00 0.00 174.94 174.55 3h2b s SER 82 N -0.38 7.05 0.43 3.58 0.15 -1.26 -4.94 113.70 118.33 3h2b s SER 82 Ca 0.37 1.85 0.30 0.00 0.70 0.00 0.00 55.95 59.16 3h2b s SER 82 Cb -0.21 -2.57 1.32 0.00 -1.71 0.00 0.00 66.02 62.85 3h2b s SER 82 CO 0.23 -0.28 1.89 0.00 1.20 0.00 0.00 173.24 176.28 3h2b h ALA 83 N 2.60 1.00 -0.02 5.45 0.00 -2.07 -1.87 119.26 124.35 3h2b h ALA 83 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3h2b h ALA 83 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h2b h ALA 83 CO 0.63 0.00 -0.19 0.39 0.00 0.00 0.00 179.25 180.08 3h2b n GLU 84 N -2.67 1.75 -1.62 0.00 -0.58 -1.26 -4.93 120.64 111.33 3h2b n GLU 84 Ca 0.01 -1.39 -0.43 0.00 -0.42 0.00 0.00 57.16 54.92 3h2b n GLU 84 Cb 0.22 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 3h2b n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3h2b n ASP 85 N 0.59 3.58 0.32 1.62 -0.08 -0.70 -4.84 116.55 117.04 3h2b n ASP 85 Ca 0.13 0.47 0.20 0.00 -1.51 0.00 0.00 54.79 54.07 3h2b n ASP 85 Cb 0.51 -1.54 1.08 0.00 2.34 0.00 0.00 41.12 43.51 3h2b n ASP 85 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3h2b h PRO 86 N 13.37 0.00 0.00 -0.67 0.13 -1.91 -1.44 132.00 141.48 3h2b h PRO 86 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3h2b h PRO 86 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3h2b h PRO 86 CO 0.95 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.28 3h2b h ASP 87 N 0.00 0.00 -0.43 1.44 3.32 -1.97 -3.15 116.42 115.63 3h2b h ASP 87 Ca 0.01 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.08 3h2b h ASP 87 Cb 0.15 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3h2b h ASP 87 CO -0.00 0.00 0.24 0.03 -1.72 0.00 0.00 179.24 177.79 3h2b h ARG 88 N 0.00 0.48 0.00 3.56 3.08 -1.63 -0.41 114.38 119.46 3h2b h ARG 88 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h2b h ARG 88 Cb 0.46 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3h2b h ARG 88 CO 0.00 0.32 0.00 -0.39 -1.07 0.00 0.00 179.97 178.83 3h2b h VAL 89 N 0.49 0.00 0.01 2.04 -1.51 -1.76 -0.59 116.25 114.94 3h2b h VAL 89 Ca 0.17 -0.09 -0.35 0.00 -1.23 0.00 0.00 66.70 65.20 3h2b h VAL 89 Cb 0.03 0.81 -0.05 0.00 -2.13 0.00 0.00 31.29 29.95 3h2b h VAL 89 CO -0.09 0.00 -1.96 0.18 -1.23 0.00 0.00 177.57 174.47 3h2b n LEU 90 N -2.58 2.10 0.00 4.19 4.77 -0.52 -4.38 117.00 120.59 3h2b n LEU 90 Ca -0.01 0.31 -0.17 0.00 -0.03 0.00 0.00 56.01 56.11 3h2b n LEU 90 Cb 0.10 -0.92 -0.12 0.00 -2.33 0.00 0.00 43.42 40.15 3h2b n LEU 90 CO 0.16 0.53 0.25 0.40 -1.33 0.00 0.00 177.39 177.40 3h2b h ILE 91 N -0.77 1.49 -0.09 -0.08 2.04 -0.98 -3.22 117.51 115.90 3h2b h ILE 91 Ca -0.52 -2.15 0.03 0.00 1.00 0.00 0.00 64.86 63.22 3h2b h ILE 91 Cb 1.57 2.80 -0.03 0.00 -0.74 0.00 0.00 36.82 40.41 3h2b h ILE 91 CO -0.25 0.61 -0.11 -0.33 0.00 0.00 0.00 178.15 178.08 3h2b h GLU 92 N -0.29 -0.14 -0.79 2.37 5.08 -1.32 0.10 114.58 119.59 3h2b h GLU 92 Ca -0.08 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3h2b h GLU 92 Cb 1.29 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 3h2b h GLU 92 CO 0.10 -0.09 0.46 -1.35 -1.00 0.00 0.00 179.01 177.14 3h2b h PRO 93 N -0.14 1.08 -0.21 2.33 0.11 -1.74 -2.49 132.00 130.93 3h2b h PRO 93 Ca 0.07 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3h2b h PRO 93 Cb 0.24 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3h2b h PRO 93 CO -0.17 0.77 0.13 2.35 -0.21 0.00 0.00 178.00 180.87 3h2b h TRP 94 N 1.08 0.28 -0.75 0.65 7.01 -1.46 -2.85 115.95 119.91 3h2b h TRP 94 Ca 0.28 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.37 3h2b h TRP 94 Cb -0.02 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 26.88 3h2b h TRP 94 CO -0.00 0.21 0.40 0.00 -2.79 0.00 0.00 178.44 176.26 3h2b h ALA 95 N 1.04 1.05 -0.09 2.65 0.00 -0.51 -0.63 119.26 122.78 3h2b h ALA 95 Ca 0.08 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h2b h ALA 95 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h2b h ALA 95 CO -0.01 0.03 0.06 1.15 0.00 0.00 0.00 179.25 180.47 3h2b h THR 96 N 0.69 0.99 0.00 0.00 2.02 -1.23 -0.36 112.91 115.02 3h2b h THR 96 Ca 0.36 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.52 3h2b h THR 96 Cb 0.34 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3h2b h THR 96 CO -0.25 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.26 3h2b n GLY 97 N -1.54 -1.32 3.62 2.16 0.00 -0.25 -4.72 105.19 103.14 3h2b n GLY 97 Ca -0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3h2b n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2b s VAL 98 N -2.99 4.74 -1.17 1.61 1.01 -0.15 -4.97 120.40 118.47 3h2b s VAL 98 Ca 0.12 1.29 -0.10 0.00 0.00 0.00 0.00 61.98 63.29 3h2b s VAL 98 Cb 0.16 -4.20 0.23 0.00 0.00 0.00 0.00 36.38 32.57 3h2b s VAL 98 CO 0.43 -0.29 1.44 -0.67 0.00 0.00 0.00 175.10 176.01 3h2b n ASP 99 N 6.33 5.52 0.00 3.32 2.03 -1.26 -4.89 116.55 127.60 3h2b n ASP 99 Ca 0.05 -3.11 0.00 0.00 0.52 0.00 0.00 54.79 52.25 3h2b n ASP 99 Cb 0.48 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 3h2b n ASP 99 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h2b n GLY 100 N 2.87 -0.08 3.67 0.27 0.00 -1.26 -4.87 105.19 105.79 3h2b n GLY 100 Ca 0.32 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 3h2b n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2b s VAL 101 N -2.95 4.82 0.21 1.61 1.01 -1.26 -4.50 120.40 119.34 3h2b s VAL 101 Ca 0.00 1.80 -0.18 0.00 0.00 0.00 0.00 61.98 63.59 3h2b s VAL 101 Cb 0.00 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 3h2b s VAL 101 CO 0.00 -0.03 0.69 -0.63 0.00 0.00 0.00 175.10 175.14 3h2b s ILE 102 N 2.38 4.63 -0.23 2.22 1.01 0.14 -1.27 121.20 130.08 3h2b s ILE 102 Ca 0.41 1.18 -0.01 0.00 0.00 0.00 0.00 60.65 62.23 3h2b s ILE 102 Cb -0.17 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.50 3h2b s ILE 102 CO 0.12 0.19 -0.09 -0.22 0.00 0.00 0.00 174.94 174.94 3h2b s LEU 103 N -2.02 2.91 -0.65 2.97 1.98 -0.73 -1.01 118.68 122.13 3h2b s LEU 103 Ca 0.43 -0.78 -0.23 0.00 -2.89 0.00 0.00 54.13 50.66 3h2b s LEU 103 Cb -0.16 -1.62 0.07 0.00 0.66 0.00 0.00 46.19 45.13 3h2b s LEU 103 CO 0.20 -0.08 0.97 -0.62 -1.89 0.00 0.00 176.35 174.93 3h2b s ASP 104 N 1.33 6.19 -0.43 3.68 2.15 -0.03 -1.31 116.67 128.25 3h2b s ASP 104 Ca 0.02 -0.91 -0.29 0.00 0.43 0.00 0.00 52.55 51.80 3h2b s ASP 104 Cb -0.16 -2.42 0.02 0.00 -0.30 0.00 0.00 42.92 40.06 3h2b s ASP 104 CO -0.06 -1.42 1.34 -0.69 -0.17 0.00 0.00 175.17 174.16 3h2b s VAL 105 N 4.08 3.99 -0.24 1.11 1.01 0.14 -1.20 120.40 129.29 3h2b s VAL 105 Ca 0.23 1.01 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 3h2b s VAL 105 Cb -0.16 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 3h2b s VAL 105 CO 0.11 -0.83 0.20 0.61 0.00 0.00 0.00 175.10 175.20 3h2b n GLY 106 N 5.01 0.34 0.19 4.51 0.00 0.21 -4.34 105.19 111.11 3h2b n GLY 106 Ca 0.15 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3h2b n GLY 106 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h2b h SER 107 N -0.34 0.00 0.00 1.61 4.64 -1.32 -3.45 113.55 114.69 3h2b h SER 107 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3h2b h SER 107 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3h2b h SER 107 CO 0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 3h2b n GLY 108 N -0.84 3.41 0.00 -0.77 0.00 -1.26 -0.53 105.19 105.19 3h2b n GLY 108 Ca -0.01 0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.38 3h2b n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h2b n THR 109 N 0.00 0.25 -0.91 2.61 -2.24 -1.26 -4.15 114.28 108.58 3h2b n THR 109 Ca 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3h2b n THR 109 Cb 0.00 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 3h2b n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h2b n GLY 110 N 1.00 0.52 0.27 3.38 0.00 0.31 -4.16 105.19 106.51 3h2b n GLY 110 Ca 0.08 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.84 3h2b n GLY 110 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h2b h ARG 111 N 0.93 0.65 0.00 1.61 0.11 -1.75 -0.16 114.38 115.78 3h2b h ARG 111 Ca 0.00 -0.04 -0.19 0.00 0.10 0.00 0.00 59.98 59.85 3h2b h ARG 111 Cb 0.00 -0.15 -0.03 0.00 1.11 0.00 0.00 29.97 30.91 3h2b h ARG 111 CO 0.00 0.43 -0.90 -1.49 0.10 0.00 0.00 179.97 178.11 3h2b h TRP 112 N 0.67 0.00 -0.00 4.08 4.06 -1.90 -2.72 115.95 120.14 3h2b h TRP 112 Ca 0.35 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.29 3h2b h TRP 112 Cb 0.31 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.47 3h2b h TRP 112 CO -0.09 0.90 0.00 1.15 -3.56 0.00 0.00 178.44 176.85 3h2b h THR 113 N 0.00 1.16 -0.51 1.49 2.02 -1.72 -0.95 112.91 114.40 3h2b h THR 113 Ca -0.01 -0.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 3h2b h THR 113 Cb 1.67 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 3h2b h THR 113 CO 0.12 0.12 0.15 1.23 0.37 0.00 0.00 175.52 177.51 3h2b h GLY 114 N -0.19 0.86 0.69 2.16 0.00 -1.14 -0.80 103.07 104.66 3h2b h GLY 114 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 46.84 3h2b h GLY 114 CO -0.00 0.48 -0.09 0.84 0.00 0.00 0.00 176.54 177.77 3h2b h HIS 115 N 0.70 -0.23 -0.39 5.60 6.17 -1.37 0.54 115.15 126.17 3h2b h HIS 115 Ca 0.16 0.01 -0.11 0.00 0.71 0.00 0.00 60.37 61.14 3h2b h HIS 115 Cb 0.29 0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.32 3h2b h HIS 115 CO 0.02 -0.14 -0.22 -0.07 0.71 0.00 0.00 177.93 178.23 3h2b h LEU 116 N -0.14 0.78 -0.85 0.26 3.38 -1.12 -2.84 115.31 114.79 3h2b h LEU 116 Ca 0.05 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 3h2b h LEU 116 Cb 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3h2b h LEU 116 CO -0.13 0.98 0.21 0.00 0.09 0.00 0.00 178.44 179.58 3h2b h ALA 117 N 1.08 1.06 0.00 1.53 0.00 -0.80 -1.90 119.26 120.23 3h2b h ALA 117 Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3h2b h ALA 117 Cb 0.72 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3h2b h ALA 117 CO 0.06 0.63 -0.10 0.66 0.00 0.00 0.00 179.25 180.50 3h2b h SER 118 N 1.03 0.00 -0.35 0.00 4.64 -0.67 -2.04 113.55 116.16 3h2b h SER 118 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3h2b h SER 118 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3h2b h SER 118 CO -0.01 0.10 0.00 0.18 -0.87 0.00 0.00 176.83 176.23 3h2b n LEU 119 N -3.48 3.23 0.00 5.97 4.77 -0.76 -4.89 117.00 121.84 3h2b n LEU 119 Ca -0.01 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 3h2b n LEU 119 Cb 0.24 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3h2b n LEU 119 CO 0.29 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 3h2b n GLY 120 N 0.58 0.75 3.78 -0.72 0.00 -0.77 -5.05 105.19 103.76 3h2b n GLY 120 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3h2b n GLY 120 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h2b s HIS 121 N -2.67 3.81 -0.43 1.61 3.76 -0.91 -5.01 115.29 115.45 3h2b s HIS 121 Ca 0.00 1.66 -0.25 0.00 -0.15 0.00 0.00 55.06 56.31 3h2b s HIS 121 Cb 0.00 -2.80 0.02 0.00 1.11 0.00 0.00 32.58 30.91 3h2b s HIS 121 CO 0.00 0.39 0.91 -0.65 -0.85 0.00 0.00 174.74 174.54 3h2b s GLN 122 N -1.57 3.63 -0.06 1.40 -0.21 -1.26 -4.29 119.66 117.31 3h2b s GLN 122 Ca 0.42 0.28 -0.18 0.00 0.02 0.00 0.00 55.36 55.89 3h2b s GLN 122 Cb -0.21 -3.88 0.04 0.00 1.00 0.00 0.00 33.01 29.96 3h2b s GLN 122 CO 0.25 -1.11 0.42 -1.50 -2.12 0.00 0.00 175.29 171.23 3h2b s ILE 123 N 3.61 0.03 0.26 1.08 2.07 -1.26 0.27 121.20 127.26 3h2b s ILE 123 Ca 0.37 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.36 3h2b s ILE 123 Cb -0.11 -0.69 -0.05 0.00 0.13 0.00 0.00 42.46 41.73 3h2b s ILE 123 CO 0.23 -0.15 0.05 -1.61 -1.91 0.00 0.00 174.94 171.56 3h2b s GLU 124 N -0.95 1.42 0.27 3.50 2.02 -0.18 -4.58 118.70 120.20 3h2b s GLU 124 Ca -0.10 -1.75 0.12 0.00 0.02 0.00 0.00 54.97 53.25 3h2b s GLU 124 Cb -0.04 -0.49 -0.05 0.00 0.10 0.00 0.00 34.13 33.66 3h2b s GLU 124 CO 0.05 -0.20 -0.19 0.20 0.02 0.00 0.00 175.26 175.13 3h2b s GLY 125 N -3.34 1.84 -0.09 -1.39 0.00 0.20 -0.85 107.32 103.70 3h2b s GLY 125 Ca 0.34 -1.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.19 3h2b s GLY 125 CO 0.12 -1.95 -0.02 -2.27 0.00 0.00 0.00 173.10 168.98 3h2b s LEU 126 N -3.48 0.77 -0.10 0.66 2.96 -0.34 0.28 118.68 119.42 3h2b s LEU 126 Ca 0.29 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.00 3h2b s LEU 126 Cb -0.05 -0.56 0.05 0.00 0.50 0.00 0.00 46.19 46.14 3h2b s LEU 126 CO 0.14 -0.17 0.21 -0.70 -1.32 0.00 0.00 176.35 174.51 3h2b s GLU 127 N 1.89 0.10 0.17 1.98 2.56 -0.03 0.68 118.70 126.05 3h2b s GLU 127 Ca 0.05 0.62 0.08 0.00 0.00 0.00 0.00 54.97 55.72 3h2b s GLU 127 Cb -0.12 -0.15 -0.04 0.00 2.00 0.00 0.00 34.13 35.81 3h2b s GLU 127 CO -0.06 -0.27 1.38 -1.00 -0.56 0.00 0.00 175.26 174.75 3h2b h PRO 128 N 8.11 0.00 -6.13 4.30 0.13 -1.59 -2.45 132.00 134.38 3h2b h PRO 128 Ca -0.19 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.39 3h2b h PRO 128 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3h2b h PRO 128 CO 0.19 0.88 1.35 0.00 -0.23 0.00 0.00 178.00 180.18 3h2b s ALA 129 N -2.97 2.61 0.15 -0.56 0.00 -1.26 -4.73 121.76 115.00 3h2b s ALA 129 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 51.96 51.85 3h2b s ALA 129 Cb 0.11 -4.10 0.02 0.00 0.00 0.00 0.00 23.12 19.14 3h2b s ALA 129 CO 0.80 -3.04 1.60 1.15 0.00 0.00 0.00 175.76 176.27 3h2b h THR 130 N 6.94 0.23 -0.65 0.00 2.02 -1.85 -1.00 112.91 118.61 3h2b h THR 130 Ca -0.32 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.91 3h2b h THR 130 Cb 1.18 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 3h2b h THR 130 CO 1.07 0.00 0.43 -0.09 0.37 0.00 0.00 175.52 177.30 3h2b h ARG 131 N -0.32 0.67 -0.07 6.66 2.43 -1.90 -2.24 114.38 119.60 3h2b h ARG 131 Ca 0.14 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 3h2b h ARG 131 Cb 0.55 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3h2b h ARG 131 CO -0.47 0.44 -0.28 -0.07 -1.51 0.00 0.00 179.97 178.08 3h2b h LEU 132 N 0.69 0.37 -0.58 3.80 3.38 -1.59 -1.90 115.31 119.47 3h2b h LEU 132 Ca 0.27 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 3h2b h LEU 132 Cb 0.20 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3h2b h LEU 132 CO -0.08 0.94 0.28 1.62 0.09 0.00 0.00 178.44 181.29 3h2b h VAL 133 N -0.18 1.21 -0.60 1.22 3.04 -1.06 0.19 116.25 120.07 3h2b h VAL 133 Ca -0.01 -0.58 -0.04 0.00 -1.01 0.00 0.00 66.70 65.07 3h2b h VAL 133 Cb 0.91 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 30.68 3h2b h VAL 133 CO 0.06 0.23 0.24 -0.33 -1.01 0.00 0.00 177.57 176.76 3h2b h GLU 134 N 0.79 0.90 -0.69 4.17 5.08 -1.47 -1.79 114.58 121.57 3h2b h GLU 134 Ca 0.20 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3h2b h GLU 134 Cb 0.11 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3h2b h GLU 134 CO -0.03 0.77 0.45 1.25 -1.00 0.00 0.00 179.01 180.45 3h2b h LEU 135 N 0.83 0.77 -1.21 1.33 5.85 -0.85 -2.42 115.31 119.61 3h2b h LEU 135 Ca 0.20 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3h2b h LEU 135 Cb 0.21 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3h2b h LEU 135 CO -0.02 0.56 0.26 0.00 -0.34 0.00 0.00 178.44 178.90 3h2b h ALA 136 N 1.26 1.39 -0.47 1.25 0.00 -0.14 -2.51 119.26 120.04 3h2b h ALA 136 Ca 0.26 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3h2b h ALA 136 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3h2b h ALA 136 CO -0.06 0.48 -0.05 0.00 0.00 0.00 0.00 179.25 179.61 3h2b h ARG 137 N 0.81 0.87 -0.25 0.00 3.08 -0.85 -0.09 114.38 117.95 3h2b h ARG 137 Ca 0.20 -0.30 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 3h2b h ARG 137 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3h2b h ARG 137 CO -0.02 0.94 -0.27 -0.56 -1.07 0.00 0.00 179.97 178.99 3h2b h GLN 138 N 0.72 0.49 -0.11 0.04 3.07 -1.29 -2.14 115.11 115.88 3h2b h GLN 138 Ca 0.13 -0.19 -0.23 0.00 0.09 0.00 0.00 58.65 58.45 3h2b h GLN 138 Cb 0.58 -0.03 0.01 0.00 0.08 0.00 0.00 27.48 28.12 3h2b h GLN 138 CO 0.03 0.71 -0.83 1.15 0.09 0.00 0.00 178.83 179.99 3h2b h THR 139 N 0.43 1.30 -2.38 1.86 2.02 -1.34 -3.37 112.91 111.43 3h2b h THR 139 Ca 0.06 -2.07 -0.60 0.00 0.77 0.00 0.00 66.41 64.58 3h2b h THR 139 Cb 0.69 2.09 -0.41 0.00 -1.74 0.00 0.00 68.15 68.78 3h2b h THR 139 CO 0.05 0.65 -0.72 1.41 0.37 0.00 0.00 175.52 177.28 3h2b n HIS 140 N -3.90 2.41 0.32 3.16 8.25 -0.06 -4.96 115.22 120.44 3h2b n HIS 140 Ca -0.08 -4.01 0.20 0.00 -0.26 0.00 0.00 57.72 53.58 3h2b n HIS 140 Cb 0.77 -0.46 1.07 0.00 1.12 0.00 0.00 29.99 32.49 3h2b n HIS 140 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3h2b h PRO 141 N 4.55 0.00 -0.01 -0.41 0.13 -1.56 -1.79 132.00 132.90 3h2b h PRO 141 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3h2b h PRO 141 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3h2b h PRO 141 CO 0.70 0.00 -0.12 -1.13 -0.23 0.00 0.00 178.00 177.22 3h2b n SER 142 N -3.17 1.57 -4.66 1.44 3.41 -1.26 -4.90 113.62 106.06 3h2b n SER 142 Ca -0.02 -1.37 -0.35 0.00 -0.26 0.00 0.00 58.87 56.87 3h2b n SER 142 Cb 0.17 0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 3h2b n SER 142 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h2b s VAL 143 N -2.19 4.26 -0.18 -3.33 1.01 -0.67 -5.09 120.40 114.21 3h2b s VAL 143 Ca 0.31 -0.26 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 3h2b s VAL 143 Cb 0.20 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3h2b s VAL 143 CO 0.41 0.59 0.78 -0.89 0.00 0.00 0.00 175.10 175.99 3h2b s THR 144 N -0.69 4.91 -0.16 3.92 2.01 -1.26 -4.91 115.64 119.47 3h2b s THR 144 Ca 0.11 1.53 0.02 0.00 0.31 0.00 0.00 61.69 63.65 3h2b s THR 144 Cb -0.12 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.31 3h2b s THR 144 CO 0.02 0.04 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.43 3h2b s PHE 145 N 2.11 2.72 -0.17 4.92 0.08 -1.26 -0.63 117.98 125.74 3h2b s PHE 145 Ca 0.36 -1.41 -0.15 0.00 0.12 0.00 0.00 56.93 55.85 3h2b s PHE 145 Cb -0.16 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3h2b s PHE 145 CO 0.12 -0.66 0.34 -1.01 -0.10 0.00 0.00 175.22 173.91 3h2b s HIS 146 N 0.98 3.43 -0.53 0.36 3.76 0.14 -4.93 115.29 118.50 3h2b s HIS 146 Ca -0.03 0.62 -0.23 0.00 -0.15 0.00 0.00 55.06 55.26 3h2b s HIS 146 Cb -0.15 -2.43 0.04 0.00 1.11 0.00 0.00 32.58 31.16 3h2b s HIS 146 CO -0.05 0.13 0.87 -1.58 -0.85 0.00 0.00 174.74 173.26 3h2b s HIS 147 N 0.82 2.86 0.00 1.40 2.46 -1.26 -0.85 115.29 120.72 3h2b s HIS 147 Ca 0.18 -0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.67 3h2b s HIS 147 Cb -0.14 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.38 3h2b s HIS 147 CO 0.06 -1.24 0.00 0.41 -2.47 0.00 0.00 174.74 171.50 3h2b n GLY 148 N 5.10 -0.90 3.86 1.59 0.00 -0.92 -4.93 105.19 108.99 3h2b n GLY 148 Ca 0.01 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 3h2b n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h2b s THR 149 N -2.00 2.58 0.19 2.61 -4.23 -1.26 -1.63 115.64 111.91 3h2b s THR 149 Ca 0.00 -1.38 -0.11 0.00 -1.18 0.00 0.00 61.69 59.01 3h2b s THR 149 Cb 0.00 -2.97 0.11 0.00 1.34 0.00 0.00 72.50 70.98 3h2b s THR 149 CO 0.00 0.00 1.80 0.40 -0.54 0.00 0.00 174.62 176.28 3h2b h ILE 150 N 1.06 0.99 -0.04 2.99 2.04 -1.97 -1.99 117.51 120.58 3h2b h ILE 150 Ca -0.41 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 3h2b h ILE 150 Cb 1.27 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3h2b h ILE 150 CO 0.59 0.11 -0.09 0.71 0.00 0.00 0.00 178.15 179.47 3h2b h THR 151 N 0.61 1.10 0.00 -0.27 1.35 -1.92 -0.76 112.91 113.01 3h2b h THR 151 Ca 0.25 -0.43 -0.01 0.00 -0.55 0.00 0.00 66.41 65.68 3h2b h THR 151 Cb 0.12 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3h2b h THR 151 CO -0.15 0.13 -0.03 0.44 -0.25 0.00 0.00 175.52 175.65 3h2b h ASP 152 N 0.06 0.00 -0.09 5.36 3.45 -1.75 -1.69 116.42 121.75 3h2b h ASP 152 Ca 0.01 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.47 3h2b h ASP 152 Cb 0.21 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 3h2b h ASP 152 CO 0.01 0.03 0.05 -0.07 -1.57 0.00 0.00 179.24 177.70 3h2b h LEU 153 N 0.00 0.13 -0.20 1.55 3.38 -1.11 -1.05 115.31 118.00 3h2b h LEU 153 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3h2b h LEU 153 Cb 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3h2b h LEU 153 CO 0.00 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.10 3h2b n SER 154 N -4.50 0.25 -0.05 -0.43 3.41 -0.64 -2.31 113.62 109.35 3h2b n SER 154 Ca -0.01 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 3h2b n SER 154 Cb 0.10 -0.61 0.49 0.00 -0.26 0.00 0.00 64.21 63.93 3h2b n SER 154 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3h2b n ASP 155 N -1.77 0.36 -4.27 4.04 8.00 -0.40 -4.86 116.55 117.66 3h2b n ASP 155 Ca 0.04 -0.16 -0.22 0.00 0.71 0.00 0.00 54.79 55.15 3h2b n ASP 155 Cb 0.23 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.11 3h2b n ASP 155 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3h2b s SER 156 N -2.79 2.35 0.00 -2.24 0.15 -0.98 -5.03 113.70 105.16 3h2b s SER 156 Ca 0.19 -0.70 0.30 0.00 0.70 0.00 0.00 55.95 56.44 3h2b s SER 156 Cb 0.19 -0.12 1.69 0.00 -1.71 0.00 0.00 66.02 66.07 3h2b s SER 156 CO 0.56 0.01 2.11 -0.81 1.20 0.00 0.00 173.24 176.31 3h2b n PRO 157 N 0.99 0.72 -1.62 5.44 -0.04 -1.26 -4.91 135.00 134.32 3h2b n PRO 157 Ca -0.19 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 3h2b n PRO 157 Cb 0.54 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 3h2b n PRO 157 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3h2b n LYS 158 N -1.13 1.52 -3.76 0.54 4.76 -1.26 -5.02 118.16 113.81 3h2b n LYS 158 Ca 0.19 0.54 -0.13 0.00 -2.87 0.00 0.00 58.31 56.03 3h2b n LYS 158 Cb 0.16 -2.01 -0.14 0.00 -1.84 0.00 0.00 35.03 31.20 3h2b n LYS 158 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3h2b s ARG 159 N -1.77 0.09 0.33 1.97 0.52 -1.26 -4.64 118.95 114.18 3h2b s ARG 159 Ca 0.59 0.32 0.07 0.00 -0.52 0.00 0.00 55.73 56.19 3h2b s ARG 159 Cb -0.62 -0.14 -0.02 0.00 0.52 0.00 0.00 34.95 34.68 3h2b s ARG 159 CO 0.60 -0.14 0.32 -1.58 0.02 0.00 0.00 175.30 174.52 3h2b s TRP 160 N 0.97 2.95 -0.06 -0.53 0.51 0.66 -4.82 118.94 118.62 3h2b s TRP 160 Ca -0.08 -0.28 0.13 0.00 -2.12 0.00 0.00 56.10 53.75 3h2b s TRP 160 Cb -0.10 -1.83 0.03 0.00 -0.81 0.00 0.00 33.47 30.76 3h2b s TRP 160 CO -0.05 0.15 1.42 0.00 -0.51 0.00 0.00 176.95 177.97 3h2b h ALA 161 N 1.18 0.61 -2.76 0.98 0.00 -1.50 0.11 119.26 117.89 3h2b h ALA 161 Ca -0.45 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 53.83 3h2b h ALA 161 Cb 1.25 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 3h2b h ALA 161 CO 0.57 0.79 -0.08 0.20 0.00 0.00 0.00 179.25 180.73 3h2b s GLY 162 N -4.52 -0.22 -0.08 0.00 0.00 -1.23 -3.24 107.32 98.03 3h2b s GLY 162 Ca 0.03 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.66 3h2b s GLY 162 CO 0.76 -0.33 -0.11 1.08 0.00 0.00 0.00 173.10 174.50 3h2b s LEU 163 N -2.82 1.53 -0.26 0.66 1.43 0.97 -1.78 118.68 118.41 3h2b s LEU 163 Ca 0.04 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 3h2b s LEU 163 Cb 0.02 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.44 3h2b s LEU 163 CO -0.11 -0.01 -0.02 -0.22 0.23 0.00 0.00 176.35 176.23 3h2b s LEU 164 N 0.92 3.42 -0.58 1.79 2.96 -0.43 -0.68 118.68 126.08 3h2b s LEU 164 Ca -0.10 -0.85 0.04 0.00 -0.22 0.00 0.00 54.13 53.00 3h2b s LEU 164 Cb -0.15 -1.73 0.15 0.00 0.50 0.00 0.00 46.19 44.96 3h2b s LEU 164 CO 0.01 -0.15 0.34 0.00 -1.32 0.00 0.00 176.35 175.23 3h2b s ALA 165 N 1.37 3.34 -0.70 5.97 0.00 0.00 0.26 121.76 132.00 3h2b s ALA 165 Ca 0.00 -3.40 -0.20 0.00 0.00 0.00 0.00 51.96 48.36 3h2b s ALA 165 Cb -0.17 -2.12 0.10 0.00 0.00 0.00 0.00 23.12 20.93 3h2b s ALA 165 CO -0.02 -2.05 0.92 -0.46 0.00 0.00 0.00 175.76 174.14 3h2b s TRP 166 N -0.65 2.90 -1.90 0.00 -0.00 -1.26 -2.13 118.94 115.89 3h2b s TRP 166 Ca 0.20 -0.90 0.00 0.00 -0.00 0.00 0.00 56.10 55.41 3h2b s TRP 166 Cb -0.17 -4.20 0.00 0.00 -0.00 0.00 0.00 33.47 29.10 3h2b s TRP 166 CO -0.07 -1.49 0.00 0.66 -0.00 0.00 0.00 176.95 176.05 3h2b n TYR 167 N 6.94 -0.56 1.00 5.86 4.02 -1.15 -4.85 117.16 128.42 3h2b n TYR 167 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.01 3h2b n TYR 167 Cb 0.45 -3.59 0.09 0.00 -0.02 0.00 0.00 39.34 36.28 3h2b n TYR 167 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3h2b n SER 168 N -1.62 0.72 -0.76 7.72 3.41 -1.26 -4.08 113.62 117.75 3h2b n SER 168 Ca -0.22 -0.57 0.07 0.00 -0.26 0.00 0.00 58.87 57.90 3h2b n SER 168 Cb 0.66 0.56 0.15 0.00 -0.26 0.00 0.00 64.21 65.33 3h2b n SER 168 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h2b n LEU 169 N -1.49 2.87 0.14 1.04 4.77 -1.26 -4.64 117.00 118.42 3h2b n LEU 169 Ca 0.05 -1.63 0.11 0.00 -0.03 0.00 0.00 56.01 54.51 3h2b n LEU 169 Cb 0.33 -0.20 0.51 0.00 -2.33 0.00 0.00 43.42 41.74 3h2b n LEU 169 CO 0.38 0.66 0.84 2.30 -1.33 0.00 0.00 177.39 180.24 3h2b n ILE 170 N 0.85 0.93 -3.22 -0.08 -5.35 -1.26 -4.88 119.36 106.35 3h2b n ILE 170 Ca 0.13 0.40 -0.43 0.00 -0.27 0.00 0.00 62.75 62.58 3h2b n ILE 170 Cb 0.44 -1.36 -0.00 0.00 -1.74 0.00 0.00 39.64 36.98 3h2b n ILE 170 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3h2b n HIS 171 N -2.21 3.92 -3.42 4.28 8.25 -1.26 -0.53 115.22 124.25 3h2b n HIS 171 Ca 0.01 -3.38 -0.04 0.00 -0.26 0.00 0.00 57.72 54.05 3h2b n HIS 171 Cb 0.16 -1.46 0.01 0.00 1.12 0.00 0.00 29.99 29.82 3h2b n HIS 171 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h2b n GLY 173 N 2.03 1.75 0.34 -1.41 0.00 -1.26 -4.61 105.19 102.04 3h2b n GLY 173 Ca 0.25 -1.18 0.18 0.00 0.00 0.00 0.00 46.02 45.27 3h2b n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h2b h PRO 174 N 0.00 0.00 -0.11 1.61 0.13 -1.99 -0.18 132.00 131.46 3h2b h PRO 174 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3h2b h PRO 174 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3h2b h PRO 174 CO 0.18 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.36 3h2b n GLY 175 N -1.32 0.28 0.11 1.56 0.00 -1.26 -4.46 105.19 100.09 3h2b n GLY 175 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3h2b n GLY 175 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h2b n GLU 176 N 0.37 0.00 -0.21 1.61 2.13 -0.22 -4.86 120.64 119.46 3h2b n GLU 176 Ca 0.17 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.97 3h2b n GLU 176 Cb 0.37 -0.67 0.09 0.00 0.27 0.00 0.00 31.44 31.49 3h2b n GLU 176 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3h2b h LEU 177 N 0.00 0.48 -0.46 4.31 5.85 -1.41 -2.56 115.31 121.51 3h2b h LEU 177 Ca 0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3h2b h LEU 177 Cb 0.41 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.29 3h2b h LEU 177 CO 0.00 0.31 -0.35 -0.65 -0.34 0.00 0.00 178.44 177.41 3h2b h PRO 178 N 0.61 -0.23 0.00 5.25 0.11 -1.81 0.12 132.00 136.05 3h2b h PRO 178 Ca 0.28 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.36 3h2b h PRO 178 Cb 0.19 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3h2b h PRO 178 CO -0.19 -0.15 -0.22 -0.44 -0.21 0.00 0.00 178.00 176.78 3h2b h ASP 179 N -0.24 0.00 -0.27 -2.05 3.32 -1.85 -2.17 116.42 113.16 3h2b h ASP 179 Ca 0.18 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 3h2b h ASP 179 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3h2b h ASP 179 CO -0.59 0.22 -0.32 0.00 -1.72 0.00 0.00 179.24 176.83 3h2b h ALA 180 N 1.78 0.40 -0.72 3.45 0.00 -0.60 -2.12 119.26 121.43 3h2b h ALA 180 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3h2b h ALA 180 Cb 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3h2b h ALA 180 CO 0.03 0.44 0.30 -0.07 0.00 0.00 0.00 179.25 179.95 3h2b h LEU 181 N 0.42 0.97 -0.41 0.00 3.38 -0.51 -0.33 115.31 118.84 3h2b h LEU 181 Ca 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3h2b h LEU 181 Cb 0.90 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3h2b h LEU 181 CO 0.08 0.86 0.18 0.58 0.09 0.00 0.00 178.44 180.22 3h2b h VAL 182 N 1.04 1.19 -0.60 1.22 2.07 -1.30 0.20 116.25 120.07 3h2b h VAL 182 Ca 0.24 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3h2b h VAL 182 Cb 0.18 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3h2b h VAL 182 CO -0.02 0.21 0.26 0.00 0.02 0.00 0.00 177.57 178.04 3h2b h ALA 183 N 1.02 0.77 -0.43 1.67 0.00 -0.96 -2.78 119.26 118.57 3h2b h ALA 183 Ca 0.14 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h2b h ALA 183 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h2b h ALA 183 CO -0.01 0.36 0.27 -0.07 0.00 0.00 0.00 179.25 179.80 3h2b h LEU 184 N 0.82 0.45 -2.68 0.00 4.07 -0.73 -2.09 115.31 115.14 3h2b h LEU 184 Ca 0.20 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 3h2b h LEU 184 Cb 0.16 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3h2b h LEU 184 CO -0.02 0.32 0.00 -1.14 -1.08 0.00 0.00 178.44 176.52 3h2b n ARG 185 N -4.82 0.00 0.00 1.13 3.00 0.03 -2.55 116.66 113.44 3h2b n ARG 185 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 3h2b n ARG 185 Cb 0.04 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.02 3h2b n ARG 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h2b n ALA 187 N 1.32 0.00 -2.41 5.13 0.00 -0.79 -4.77 120.51 118.99 3h2b n ALA 187 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3h2b n ALA 187 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3h2b n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h2b s VAL 188 N 0.00 2.00 0.69 0.00 0.11 -1.06 -0.24 120.40 121.90 3h2b s VAL 188 Ca 0.00 -1.43 -0.16 0.00 -2.93 0.00 0.00 61.98 57.46 3h2b s VAL 188 Cb 0.00 -1.74 0.02 0.00 -1.53 0.00 0.00 36.38 33.13 3h2b s VAL 188 CO 0.00 0.23 1.22 -1.61 -3.33 0.00 0.00 175.10 171.61 3h2b s GLU 189 N -1.45 2.35 0.26 1.54 2.02 0.39 -4.84 118.70 118.96 3h2b s GLU 189 Ca 0.11 1.81 -0.31 0.00 0.02 0.00 0.00 54.97 56.59 3h2b s GLU 189 Cb -0.10 -1.85 -0.12 0.00 0.10 0.00 0.00 34.13 32.16 3h2b s GLU 189 CO 0.03 -1.69 1.66 -0.25 0.02 0.00 0.00 175.26 175.03 3h2b n ASP 190 N -2.41 3.96 0.00 -0.19 10.43 -1.26 -0.49 116.55 126.59 3h2b n ASP 190 Ca 0.14 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.60 3h2b n ASP 190 Cb 0.50 -1.59 0.00 0.00 1.84 0.00 0.00 41.12 41.87 3h2b n ASP 190 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h2b n GLY 191 N 3.02 1.68 3.74 0.44 0.00 -0.32 -4.99 105.19 108.76 3h2b n GLY 191 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3h2b n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h2b s GLY 192 N -1.93 1.66 0.25 -0.02 0.00 0.36 -4.50 107.32 103.14 3h2b s GLY 192 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 44.72 44.99 3h2b s GLY 192 CO 0.00 0.61 0.32 -0.32 0.00 0.00 0.00 173.10 173.71 3h2b s GLY 193 N -3.30 1.30 -0.04 0.20 0.00 -1.20 -0.41 107.32 103.88 3h2b s GLY 193 Ca 0.62 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 44.04 3h2b s GLY 193 CO 0.57 -1.32 -0.01 -2.27 0.00 0.00 0.00 173.10 170.06 3h2b s LEU 194 N -3.96 1.16 0.22 0.66 2.96 -0.37 -0.02 118.68 119.33 3h2b s LEU 194 Ca 0.35 -0.06 0.10 0.00 -0.22 0.00 0.00 54.13 54.30 3h2b s LEU 194 Cb -0.09 -0.29 -0.05 0.00 0.50 0.00 0.00 46.19 46.26 3h2b s LEU 194 CO 0.28 -0.10 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.81 3h2b s LEU 195 N 1.07 2.53 -0.10 -0.68 2.96 0.14 -0.90 118.68 123.69 3h2b s LEU 195 Ca -0.09 -0.97 -0.30 0.00 -0.22 0.00 0.00 54.13 52.55 3h2b s LEU 195 Cb -0.14 -0.94 0.07 0.00 0.50 0.00 0.00 46.19 45.69 3h2b s LEU 195 CO -0.01 -0.02 0.71 -0.94 -1.32 0.00 0.00 176.35 174.77 3h2b s SER 197 N -3.16 -0.65 0.00 3.68 1.04 -0.91 -0.82 113.70 112.88 3h2b s SER 197 Ca 0.24 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.49 3h2b s SER 197 Cb -0.04 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3h2b s SER 197 CO 0.10 -0.52 0.00 2.22 0.98 0.00 0.00 173.24 176.02 3h2b n PHE 198 N 1.22 -0.88 -4.71 5.02 -1.74 0.11 -2.96 117.46 113.53 3h2b n PHE 198 Ca -0.17 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.38 3h2b n PHE 198 Cb 0.57 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.43 3h2b n PHE 198 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 3h2b s PHE 199 N -8.27 2.85 0.52 2.97 0.08 -1.26 -0.62 117.98 114.24 3h2b s PHE 199 Ca 0.00 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.52 3h2b s PHE 199 Cb 0.00 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.59 3h2b s PHE 199 CO 0.00 -0.14 0.00 0.45 -0.10 0.00 0.00 175.22 175.43 3h2b s SER 200 N 0.27 4.14 0.00 1.36 0.15 0.18 -0.44 113.70 119.36 3h2b s SER 200 Ca -0.08 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.89 3h2b s SER 200 Cb -0.15 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 3h2b s SER 200 CO 0.05 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.22 3h2b n GLY 201 N -1.28 -0.77 0.27 9.45 0.00 -1.25 -4.53 105.19 107.08 3h2b n GLY 201 Ca -0.20 -1.14 0.16 0.00 0.00 0.00 0.00 46.02 44.85 3h2b n GLY 201 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h2b h PRO 202 N 0.00 0.00 -4.63 1.61 0.13 -1.97 -3.31 132.00 123.84 3h2b h PRO 202 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 3h2b h PRO 202 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 3h2b h PRO 202 CO 0.00 0.03 -0.74 -1.12 -0.23 0.00 0.00 178.00 175.94 3h2b s SER 203 N -5.76 0.93 -0.71 1.44 0.01 -1.26 -4.89 113.70 103.45 3h2b s SER 203 Ca 0.01 -0.57 -0.25 0.00 1.31 0.00 0.00 55.95 56.45 3h2b s SER 203 Cb 0.09 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.40 3h2b s SER 203 CO 0.56 -0.20 1.17 -0.22 0.41 0.00 0.00 173.24 174.95 3h2b s LEU 204 N -1.64 3.60 0.11 2.44 0.20 -1.26 -4.50 118.68 117.63 3h2b s LEU 204 Ca -0.09 -0.63 -0.08 0.00 0.69 0.00 0.00 54.13 54.02 3h2b s LEU 204 Cb -0.09 -2.52 -0.01 0.00 -0.43 0.00 0.00 46.19 43.14 3h2b s LEU 204 CO 0.00 -1.69 0.20 -1.83 -0.29 0.00 0.00 176.35 172.74 3h2b s GLU 205 N 5.13 0.93 0.00 1.98 -1.05 -0.97 -4.95 118.70 119.77 3h2b s GLU 205 Ca 0.31 -1.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 3h2b s GLU 205 Cb -0.11 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 3h2b s GLU 205 CO 0.14 -0.31 0.00 -0.35 0.95 0.00 0.00 175.26 175.69 3h2b n PRO 206 N -0.10 -0.02 -3.88 -4.83 -0.04 -1.26 -0.04 135.00 124.82 3h2b n PRO 206 Ca -0.12 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.97 3h2b n PRO 206 Cb 0.63 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.03 3h2b n PRO 206 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h2b s TYR 208 N -0.57 3.60 -0.11 0.54 5.04 -1.26 -4.73 117.35 119.85 3h2b s TYR 208 Ca 0.00 0.52 -0.08 0.00 -2.44 0.00 0.00 57.07 55.07 3h2b s TYR 208 Cb 0.00 -1.93 0.04 0.00 0.35 0.00 0.00 41.96 40.41 3h2b s TYR 208 CO 0.00 0.73 0.29 -1.58 -1.34 0.00 0.00 175.55 173.65 3h2b s HIS 209 N -1.05 -0.36 0.51 4.97 5.65 -1.26 -4.74 115.29 119.02 3h2b s HIS 209 Ca 0.16 0.84 0.23 0.00 0.25 0.00 0.00 55.06 56.54 3h2b s HIS 209 Cb -0.12 0.11 1.32 0.00 -1.18 0.00 0.00 32.58 32.70 3h2b s HIS 209 CO 0.05 -0.20 1.98 -1.00 -0.65 0.00 0.00 174.74 174.92 3h2b h PRO 210 N 6.42 0.09 0.00 2.88 0.13 -2.05 -3.20 132.00 136.27 3h2b h PRO 210 Ca -0.33 -0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.58 3h2b h PRO 210 Cb 1.18 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 3h2b h PRO 210 CO 0.34 0.06 -1.30 0.28 -0.23 0.00 0.00 178.00 177.15 3h2b n VAL 211 N -4.40 1.52 -3.50 1.56 0.31 -1.26 -5.04 118.33 107.52 3h2b n VAL 211 Ca 0.10 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 3h2b n VAL 211 Cb 0.58 -2.08 -0.04 0.00 -0.91 0.00 0.00 33.84 31.40 3h2b n VAL 211 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h2b s ALA 212 N -2.44 -1.48 0.20 3.52 0.00 -1.21 -4.89 121.76 115.46 3h2b s ALA 212 Ca -0.28 0.58 -0.32 0.00 0.00 0.00 0.00 51.96 51.94 3h2b s ALA 212 Cb 0.06 0.61 -0.15 0.00 0.00 0.00 0.00 23.12 23.65 3h2b s ALA 212 CO 0.53 -0.63 1.26 2.41 0.00 0.00 0.00 175.76 179.32 3h2b n THR 213 N 0.02 0.94 -4.01 0.00 -1.04 -1.26 -4.13 114.28 104.80 3h2b n THR 213 Ca -0.17 -0.24 -0.25 0.00 -2.04 0.00 0.00 64.05 61.35 3h2b n THR 213 Cb 0.63 -1.10 -0.05 0.00 -1.82 0.00 0.00 70.33 67.99 3h2b n THR 213 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h2b s ALA 214 N -0.16 3.92 0.02 2.41 0.00 -1.26 -4.48 121.76 122.21 3h2b s ALA 214 Ca 0.71 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.97 3h2b s ALA 214 Cb -0.77 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 3h2b s ALA 214 CO 0.51 -0.24 -0.10 0.71 0.00 0.00 0.00 175.76 176.64 3h2b s TYR 215 N -2.64 0.90 -0.19 0.00 1.51 0.31 -4.38 117.35 112.86 3h2b s TYR 215 Ca 0.38 -0.27 -0.11 0.00 -1.01 0.00 0.00 57.07 56.06 3h2b s TYR 215 Cb 0.01 -0.55 -0.05 0.00 -0.11 0.00 0.00 41.96 41.26 3h2b s TYR 215 CO 0.22 -0.01 0.17 1.03 -1.11 0.00 0.00 175.55 175.85 3h2b s ARG 216 N -0.74 4.20 -0.23 -0.62 0.52 0.94 -4.38 118.95 118.63 3h2b s ARG 216 Ca 0.00 -0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 3h2b s ARG 216 Cb -0.06 -3.43 0.04 0.00 0.52 0.00 0.00 34.95 32.02 3h2b s ARG 216 CO 0.00 0.28 -0.13 -1.58 0.02 0.00 0.00 175.30 173.89 3h2b s TRP 217 N 0.41 3.05 0.61 -0.53 0.52 0.42 -2.30 118.94 121.11 3h2b s TRP 217 Ca 0.10 -1.92 -0.18 0.00 0.02 0.00 0.00 56.10 54.12 3h2b s TRP 217 Cb -0.11 -1.95 -0.03 0.00 -1.15 0.00 0.00 33.47 30.23 3h2b s TRP 217 CO -0.01 -0.82 1.19 -2.14 0.02 0.00 0.00 176.95 175.19 3h2b s PRO 218 N 1.22 2.90 0.19 4.98 0.02 -1.25 -3.92 135.00 139.14 3h2b s PRO 218 Ca -0.02 1.75 -0.12 0.00 0.02 0.00 0.00 61.00 62.64 3h2b s PRO 218 Cb -0.17 -1.93 0.21 0.00 0.02 0.00 0.00 34.50 32.63 3h2b s PRO 218 CO -0.08 -1.24 1.75 1.25 -0.33 0.00 0.00 177.00 178.35 3h2b h LEU 219 N 0.70 0.21 -0.23 -5.54 5.85 -1.98 -2.28 115.31 112.04 3h2b h LEU 219 Ca -0.50 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.35 3h2b h LEU 219 Cb 1.29 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.30 3h2b h LEU 219 CO 0.55 0.14 -0.18 -0.65 -0.34 0.00 0.00 178.44 177.95 3h2b h PRO 220 N 0.38 -0.18 -0.42 5.25 0.11 -1.97 0.15 132.00 135.33 3h2b h PRO 220 Ca 0.26 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.35 3h2b h PRO 220 Cb 0.29 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 3h2b h PRO 220 CO -0.26 -0.12 0.13 0.93 -0.21 0.00 0.00 178.00 178.47 3h2b h GLU 221 N -0.18 0.65 -0.26 1.05 3.07 -1.90 -1.86 114.58 115.14 3h2b h GLU 221 Ca 0.13 -0.14 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 3h2b h GLU 221 Cb 0.38 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3h2b h GLU 221 CO -0.34 0.65 -0.04 1.25 -1.40 0.00 0.00 179.01 179.13 3h2b h LEU 222 N 0.54 0.49 -1.20 1.33 5.85 -1.18 -1.34 115.31 119.80 3h2b h LEU 222 Ca 0.13 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3h2b h LEU 222 Cb 0.27 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3h2b h LEU 222 CO -0.00 0.72 0.36 0.00 -0.34 0.00 0.00 178.44 179.17 3h2b h ALA 223 N 0.79 1.39 -0.39 1.25 0.00 -0.68 -0.46 119.26 121.16 3h2b h ALA 223 Ca 0.07 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3h2b h ALA 223 Cb 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3h2b h ALA 223 CO 0.02 0.50 -0.25 0.37 0.00 0.00 0.00 179.25 179.89 3h2b h GLN 224 N 0.92 0.85 -0.93 0.00 5.75 -1.22 -1.49 115.11 118.98 3h2b h GLN 224 Ca 0.23 -0.40 0.01 0.00 -0.15 0.00 0.00 58.65 58.34 3h2b h GLN 224 Cb 0.03 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.52 3h2b h GLN 224 CO -0.04 1.04 0.60 0.00 -2.65 0.00 0.00 178.83 177.78 3h2b h ALA 225 N 0.79 1.18 -0.20 3.38 0.00 -0.53 0.06 119.26 123.95 3h2b h ALA 225 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3h2b h ALA 225 Cb 0.82 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3h2b h ALA 225 CO 0.07 0.59 0.04 -0.07 0.00 0.00 0.00 179.25 179.89 3h2b h LEU 226 N 1.27 0.30 -0.49 0.00 3.38 -0.98 -1.41 115.31 117.39 3h2b h LEU 226 Ca 0.34 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3h2b h LEU 226 Cb -0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3h2b h LEU 226 CO -0.07 0.46 0.31 -0.33 0.09 0.00 0.00 178.44 178.91 3h2b h GLU 227 N 0.13 0.65 -0.59 1.13 5.08 -0.60 0.48 114.58 120.86 3h2b h GLU 227 Ca 0.06 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3h2b h GLU 227 Cb 0.28 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3h2b h GLU 227 CO 0.00 0.45 0.37 1.15 -1.00 0.00 0.00 179.01 179.98 3h2b h THR 228 N 0.66 1.16 0.00 1.13 2.02 -0.89 -1.64 112.91 115.35 3h2b h THR 228 Ca 0.18 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3h2b h THR 228 Cb -0.05 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3h2b h THR 228 CO -0.04 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.02 3h2b h ALA 229 N 1.59 1.00 0.00 6.16 0.00 -0.43 -3.47 119.26 124.12 3h2b h ALA 229 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h2b h ALA 229 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h2b h ALA 229 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 3h2b n GLY 230 N 0.82 1.52 3.33 0.00 0.00 -0.33 -4.64 105.19 105.89 3h2b n GLY 230 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3h2b n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h2b s PHE 231 N -2.00 2.29 -0.13 1.61 0.08 0.15 0.12 117.98 120.10 3h2b s PHE 231 Ca 0.00 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.66 3h2b s PHE 231 Cb 0.00 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.05 3h2b s PHE 231 CO 0.00 0.08 -0.21 -0.65 -0.10 0.00 0.00 175.22 174.34 3h2b s GLN 232 N -1.06 3.09 -0.02 0.44 -0.21 -0.58 -1.96 119.66 119.35 3h2b s GLN 232 Ca 0.11 -0.83 -0.30 0.00 0.02 0.00 0.00 55.36 54.36 3h2b s GLN 232 Cb -0.10 -2.44 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 3h2b s GLN 232 CO 0.01 0.06 1.47 0.08 -2.12 0.00 0.00 175.29 174.79 3h2b s VAL 233 N 0.65 3.68 -0.04 1.09 1.01 -1.26 -0.38 120.40 125.15 3h2b s VAL 233 Ca -0.10 0.99 0.20 0.00 0.00 0.00 0.00 61.98 63.07 3h2b s VAL 233 Cb -0.16 -3.64 -0.31 0.00 0.00 0.00 0.00 36.38 32.27 3h2b s VAL 233 CO 0.02 -0.03 0.42 0.35 0.00 0.00 0.00 175.10 175.85 3h2b n THR 234 N 4.94 0.11 -3.56 3.92 -2.24 0.03 -4.94 114.28 112.55 3h2b n THR 234 Ca 0.14 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 3h2b n THR 234 Cb 0.43 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 3h2b n THR 234 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h2b s SER 235 N -4.44 -0.46 0.06 3.42 1.04 -1.15 -4.96 113.70 107.20 3h2b s SER 235 Ca -0.08 0.51 -0.15 0.00 0.48 0.00 0.00 55.95 56.71 3h2b s SER 235 Cb 0.12 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.65 3h2b s SER 235 CO 0.84 -0.43 0.34 -0.94 0.98 0.00 0.00 173.24 174.04 3h2b s SER 236 N -1.13 -0.17 -0.11 7.02 1.04 -1.26 -0.26 113.70 118.82 3h2b s SER 236 Ca -0.05 -0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.06 3h2b s SER 236 Cb -0.00 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.54 3h2b s SER 236 CO 0.04 -0.67 0.36 -1.00 0.98 0.00 0.00 173.24 172.96 3h2b s HIS 237 N -2.79 -0.36 -0.28 5.02 3.76 -0.07 -4.98 115.29 115.59 3h2b s HIS 237 Ca -0.03 0.83 -0.20 0.00 -0.15 0.00 0.00 55.06 55.51 3h2b s HIS 237 Cb -0.00 0.13 0.12 0.00 1.11 0.00 0.00 32.58 33.94 3h2b s HIS 237 CO -0.05 -0.25 0.90 -0.46 -0.85 0.00 0.00 174.74 174.03 3h2b s TRP 238 N -0.19 -0.67 -0.32 1.40 -0.00 -1.26 -2.30 118.94 115.59 3h2b s TRP 238 Ca -0.03 1.45 -0.07 0.00 -0.00 0.00 0.00 56.10 57.44 3h2b s TRP 238 Cb -0.03 0.40 0.02 0.00 -0.00 0.00 0.00 33.47 33.87 3h2b s TRP 238 CO 0.02 -0.33 0.11 0.34 -0.00 0.00 0.00 176.95 177.09 3h2b s ASP 239 N 0.97 5.30 0.59 5.86 3.68 -1.26 -4.98 116.67 126.83 3h2b s ASP 239 Ca -0.05 -0.90 0.17 0.00 2.13 0.00 0.00 52.55 53.90 3h2b s ASP 239 Cb -0.04 -1.90 0.91 0.00 -1.45 0.00 0.00 42.92 40.44 3h2b s ASP 239 CO -0.12 -0.27 1.48 1.55 0.13 0.00 0.00 175.17 177.94 3h2b h PRO 240 N 8.26 0.00 0.00 4.34 0.13 -1.99 0.03 132.00 142.77 3h2b h PRO 240 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3h2b h PRO 240 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3h2b h PRO 240 CO 0.61 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.92 3h2b n ARG 241 N -2.57 0.23 -4.07 0.86 1.74 -1.26 -4.80 116.66 106.78 3h2b n ARG 241 Ca -0.01 0.21 -0.13 0.00 -0.77 0.00 0.00 57.85 57.14 3h2b n ARG 241 Cb 0.57 -1.77 -0.12 0.00 -1.02 0.00 0.00 32.46 30.12 3h2b n ARG 241 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3h2b s PHE 242 N -3.10 0.65 0.09 -1.55 0.08 -0.00 -5.05 117.98 109.09 3h2b s PHE 242 Ca 0.11 -0.46 0.19 0.00 0.12 0.00 0.00 56.93 56.88 3h2b s PHE 242 Cb 0.13 -0.39 0.57 0.00 -0.57 0.00 0.00 43.02 42.76 3h2b s PHE 242 CO 0.57 -0.08 1.68 -1.00 -0.10 0.00 0.00 175.22 176.29 3h2b h PRO 243 N 4.66 0.00 -6.44 0.24 0.13 -1.80 -3.41 132.00 125.37 3h2b h PRO 243 Ca -0.35 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.18 3h2b h PRO 243 Cb 1.20 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.38 3h2b h PRO 243 CO 0.42 0.39 0.77 0.72 -0.23 0.00 0.00 178.00 180.06 3h2b n HIS 244 N -3.43 2.15 -3.83 1.56 8.25 -1.26 0.49 115.22 119.15 3h2b n HIS 244 Ca 0.00 0.31 -0.10 0.00 -0.26 0.00 0.00 57.72 57.68 3h2b n HIS 244 Cb 0.55 -2.52 -0.06 0.00 1.12 0.00 0.00 29.99 29.09 3h2b n HIS 244 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h2b s ALA 245 N 1.12 -0.44 0.13 -1.41 0.00 0.21 -4.33 121.76 117.04 3h2b s ALA 245 Ca 0.81 -0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.09 3h2b s ALA 245 Cb -0.73 0.76 0.04 0.00 0.00 0.00 0.00 23.12 23.19 3h2b s ALA 245 CO 0.41 -0.66 0.42 1.52 0.00 0.00 0.00 175.76 177.44 3h2b s TYR 246 N -3.90 -0.21 0.23 0.00 1.13 -0.97 0.08 117.35 113.72 3h2b s TYR 246 Ca 0.10 -0.11 -0.20 0.00 -1.41 0.00 0.00 57.07 55.45 3h2b s TYR 246 Cb 0.02 0.28 0.03 0.00 -1.10 0.00 0.00 41.96 41.20 3h2b s TYR 246 CO -0.05 -0.73 0.64 -0.48 -2.51 0.00 0.00 175.55 172.43 3h2b s LEU 247 N -2.81 -0.25 0.10 -3.49 0.05 -1.26 -0.90 118.68 110.13 3h2b s LEU 247 Ca 0.03 -0.45 0.09 0.00 0.05 0.00 0.00 54.13 53.86 3h2b s LEU 247 Cb 0.02 2.54 -0.03 0.00 -2.05 0.00 0.00 46.19 46.66 3h2b s LEU 247 CO -0.11 -1.19 -0.24 0.42 -0.55 0.00 0.00 176.35 174.69 3h2b s THR 248 N -3.87 1.94 0.09 5.48 -4.23 0.64 -4.38 115.64 111.30 3h2b s THR 248 Ca 0.09 -1.56 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 3h2b s THR 248 Cb -0.04 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 3h2b s THR 248 CO 0.00 0.07 0.08 0.00 -0.54 0.00 0.00 174.62 174.23 3h2b s ALA 249 N -1.05 0.34 -0.09 3.99 0.00 -0.08 -0.79 121.76 124.08 3h2b s ALA 249 Ca 0.10 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.01 3h2b s ALA 249 Cb -0.10 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.55 3h2b s ALA 249 CO 0.04 -0.46 -0.21 -2.00 0.00 0.00 0.00 175.76 173.13 3h2b s GLU 250 N -3.94 2.72 0.07 0.00 2.12 0.49 -1.24 118.70 118.93 3h2b s GLU 250 Ca 0.11 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 3h2b s GLU 250 Cb 0.07 -2.10 -0.10 0.00 0.26 0.00 0.00 34.13 32.27 3h2b s GLU 250 CO -0.07 0.13 1.91 0.00 -0.54 0.00 0.00 175.26 176.69 3h2b s ALA 251 N 0.46 3.66 0.00 6.30 0.00 0.45 -1.53 121.76 131.10 3h2b s ALA 251 Ca -0.17 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3h2b s ALA 251 Cb -0.17 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.14 3h2b s ALA 251 CO 0.07 -1.42 0.00 0.45 0.00 0.00 0.00 175.76 174.85 3h2b n SER 252 N 6.74 0.03 0.00 0.00 2.88 0.32 -1.18 113.62 122.41 3h2b n SER 252 Ca 0.19 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.79 3h2b n SER 252 Cb 0.40 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.21 3h2b n SER 252 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99