#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9m n TRP 46 N 0.00 0.00 -3.67 -1.55 2.14 -1.26 -4.86 117.44 108.24 3i9m n TRP 46 Ca 0.00 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.49 3i9m n TRP 46 Cb 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.41 3i9m n TRP 46 CO 0.00 0.00 0.00 -0.98 2.07 0.00 0.00 177.69 178.78 3i9m s ARG 47 N -1.81 0.49 0.52 -2.67 1.70 -1.26 -5.18 118.95 110.74 3i9m s ARG 47 Ca 0.23 1.02 -0.01 0.00 -0.47 0.00 0.00 55.73 56.50 3i9m s ARG 47 Cb 0.17 0.16 0.01 0.00 -0.57 0.00 0.00 34.95 34.72 3i9m s ARG 47 CO 0.30 -0.17 0.76 -0.65 -1.08 0.00 0.00 175.30 174.45 3i9m s GLN 48 N 1.80 2.86 0.12 3.89 -1.52 -1.26 -5.00 119.66 120.55 3i9m s GLN 48 Ca -0.08 -0.46 -0.15 0.00 -1.95 0.00 0.00 55.36 52.72 3i9m s GLN 48 Cb -0.08 -2.47 -0.03 0.00 -0.22 0.00 0.00 33.01 30.21 3i9m s GLN 48 CO -0.16 -0.51 1.54 1.15 -0.25 0.00 0.00 175.29 177.06 3i9m h THR 49 N 0.16 1.27 -1.79 -0.19 2.02 -1.94 -3.45 112.91 108.99 3i9m h THR 49 Ca -0.45 -1.08 -0.56 0.00 0.77 0.00 0.00 66.41 65.09 3i9m h THR 49 Cb 1.27 1.21 -0.09 0.00 -1.74 0.00 0.00 68.15 68.80 3i9m h THR 49 CO 0.57 0.36 -0.55 0.26 0.37 0.00 0.00 175.52 176.53 3i9m s TRP 50 N -4.89 2.63 -0.74 3.16 0.52 -1.26 -5.06 118.94 113.29 3i9m s TRP 50 Ca -0.13 -0.47 0.25 0.00 0.02 0.00 0.00 56.10 55.77 3i9m s TRP 50 Cb 0.10 -1.71 0.48 0.00 -1.15 0.00 0.00 33.47 31.18 3i9m s TRP 50 CO 0.80 0.32 1.43 0.43 0.02 0.00 0.00 176.95 179.94 3i9m n SER 51 N -1.13 0.63 -4.97 2.95 7.64 -1.26 -4.74 113.62 112.75 3i9m n SER 51 Ca -0.03 0.13 -0.21 0.00 1.01 0.00 0.00 58.87 59.78 3i9m n SER 51 Cb 0.63 0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.84 3i9m n SER 51 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3i9m s GLY 52 N -3.49 1.35 0.37 0.23 0.00 -0.65 -4.82 107.32 100.31 3i9m s GLY 52 Ca 0.08 -1.26 -0.24 0.00 0.00 0.00 0.00 44.72 43.30 3i9m s GLY 52 CO 0.69 -1.24 0.50 -1.05 0.00 0.00 0.00 173.10 172.00 3i9m n PRO 53 N -1.54 0.45 -2.00 2.90 -0.02 -1.26 -2.19 135.00 131.33 3i9m n PRO 53 Ca -0.06 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.30 3i9m n PRO 53 Cb 0.57 -1.36 0.17 0.00 -0.02 0.00 0.00 33.50 32.86 3i9m n PRO 53 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i9m s GLY 54 N -0.93 1.77 0.29 -1.23 0.00 -1.24 -2.37 107.32 103.62 3i9m s GLY 54 Ca 0.62 -1.22 -0.29 0.00 0.00 0.00 0.00 44.72 43.82 3i9m s GLY 54 CO 0.59 -0.50 1.29 2.41 0.00 0.00 0.00 173.10 176.89 3i9m n THR 55 N -3.63 1.56 -1.71 0.90 -1.04 -0.49 -4.72 114.28 105.15 3i9m n THR 55 Ca 0.15 -0.39 -0.43 0.00 -2.04 0.00 0.00 64.05 61.34 3i9m n THR 55 Cb 0.60 -1.43 -0.01 0.00 -1.82 0.00 0.00 70.33 67.67 3i9m n THR 55 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3i9m n THR 56 N 0.96 1.78 -1.74 12.58 -1.04 0.22 -4.77 114.28 122.26 3i9m n THR 56 Ca 0.08 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.05 61.25 3i9m n THR 56 Cb 0.33 -1.65 0.02 0.00 -1.82 0.00 0.00 70.33 67.21 3i9m n THR 56 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3i9m n LYS 57 N 0.87 2.09 -3.32 -2.82 2.85 -1.26 -1.70 118.16 114.86 3i9m n LYS 57 Ca 0.05 0.74 -0.24 0.00 -1.05 0.00 0.00 58.31 57.82 3i9m n LYS 57 Cb 0.36 -2.53 0.01 0.00 -0.65 0.00 0.00 35.03 32.22 3i9m n LYS 57 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3i9m n ARG 58 N -0.16 -4.24 -0.27 -1.58 1.74 -1.26 -4.88 116.66 106.01 3i9m n ARG 58 Ca 0.06 0.64 -0.00 0.00 -0.77 0.00 0.00 57.85 57.78 3i9m n ARG 58 Cb 0.41 -5.43 0.06 0.00 -1.02 0.00 0.00 32.46 26.48 3i9m n ARG 58 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3i9m h PHE 59 N -1.28 -0.64 -0.67 -1.55 3.57 -1.68 -0.83 116.94 113.86 3i9m h PHE 59 Ca -0.48 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 3i9m h PHE 59 Cb 1.33 0.40 -0.03 0.00 2.79 0.00 0.00 35.95 40.43 3i9m h PHE 59 CO 0.61 -0.36 0.32 -1.35 -2.23 0.00 0.00 178.31 175.29 3i9m h PRO 60 N -0.05 0.97 -0.38 6.41 0.11 -1.90 -0.81 132.00 136.35 3i9m h PRO 60 Ca 0.33 -0.15 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 3i9m h PRO 60 Cb 0.57 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3i9m h PRO 60 CO -0.80 0.78 0.03 0.93 -0.21 0.00 0.00 178.00 178.73 3i9m h GLU 61 N 0.93 0.66 0.09 1.05 3.07 -1.83 -2.04 114.58 116.51 3i9m h GLU 61 Ca 0.23 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3i9m h GLU 61 Cb 0.13 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3i9m h GLU 61 CO -0.03 0.74 -0.08 1.15 -1.40 0.00 0.00 179.01 179.39 3i9m h THR 62 N 0.49 0.83 -0.13 1.13 2.02 -0.74 0.60 112.91 117.11 3i9m h THR 62 Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.31 3i9m h THR 62 Cb 0.42 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3i9m h THR 62 CO 0.01 0.00 0.02 0.58 0.37 0.00 0.00 175.52 176.51 3i9m h VAL 63 N -0.18 0.95 -0.93 3.16 2.07 -1.17 -0.88 116.25 119.27 3i9m h VAL 63 Ca 0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3i9m h VAL 63 Cb 0.16 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3i9m h VAL 63 CO -0.01 0.01 0.55 0.25 0.02 0.00 0.00 177.57 178.39 3i9m h LEU 64 N 0.08 1.12 -0.35 2.57 5.85 -1.08 0.56 115.31 124.05 3i9m h LEU 64 Ca 0.06 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 3i9m h LEU 64 Cb 0.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3i9m h LEU 64 CO -0.07 0.86 -0.26 0.00 -0.34 0.00 0.00 178.44 178.64 3i9m h ALA 65 N 1.32 0.50 -0.60 1.25 0.00 -0.75 -0.62 119.26 120.36 3i9m h ALA 65 Ca 0.33 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3i9m h ALA 65 Cb -0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3i9m h ALA 65 CO -0.06 0.50 0.33 0.00 0.00 0.00 0.00 179.25 180.02 3i9m h ARG 66 N 0.57 0.60 0.17 0.00 3.08 -0.75 -1.27 114.38 116.78 3i9m h ARG 66 Ca 0.07 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3i9m h ARG 66 Cb 0.82 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3i9m h ARG 66 CO 0.07 0.40 -0.08 0.00 -1.07 0.00 0.00 179.97 179.28 3i9m h VAL 68 N -0.33 0.35 0.06 0.00 2.07 -1.03 -0.57 116.25 116.80 3i9m h VAL 68 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3i9m h VAL 68 Cb 0.26 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3i9m h VAL 68 CO 0.04 0.00 -0.07 0.50 0.02 0.00 0.00 177.57 178.06 3i9m h LYS 69 N -0.23 -0.14 -0.73 1.57 3.64 -1.08 -1.04 116.57 118.56 3i9m h LYS 69 Ca 0.15 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.66 3i9m h LYS 69 Cb 0.48 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 3i9m h LYS 69 CO -0.44 -0.09 0.34 -0.92 -2.27 0.00 0.00 179.45 176.07 3i9m h TYR 70 N -0.15 0.60 0.00 1.91 3.20 -0.56 -1.83 116.97 120.15 3i9m h TYR 70 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3i9m h TYR 70 Cb 0.15 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3i9m h TYR 70 CO -0.11 0.17 0.00 1.79 -1.64 0.00 0.00 178.16 178.37 3i9m h THR 71 N 0.55 0.00 0.02 1.81 1.35 -0.65 -1.29 112.91 114.69 3i9m h THR 71 Ca 0.38 -0.68 -0.24 0.00 -0.55 0.00 0.00 66.41 65.32 3i9m h THR 71 Cb 0.47 1.65 0.02 0.00 -1.73 0.00 0.00 68.15 68.56 3i9m h THR 71 CO -0.32 0.00 -0.95 -0.33 -0.25 0.00 0.00 175.52 173.67 3i9m h GLU 72 N 0.00 0.60 -0.11 4.72 5.08 -0.56 -3.27 114.58 121.04 3i9m h GLU 72 Ca 0.00 -0.68 -0.17 0.00 -1.00 0.00 0.00 59.36 57.51 3i9m h GLU 72 Cb 0.76 0.20 0.01 0.00 0.50 0.00 0.00 28.75 30.21 3i9m h GLU 72 CO 0.00 1.27 -0.61 0.82 -1.00 0.00 0.00 179.01 179.49 3i9m h ILE 73 N 0.21 1.34 -3.38 3.13 2.04 -1.15 -3.43 117.51 116.27 3i9m h ILE 73 Ca -0.13 -1.90 -0.73 0.00 1.00 0.00 0.00 64.86 63.11 3i9m h ILE 73 Cb 1.63 2.16 -0.25 0.00 -0.74 0.00 0.00 36.82 39.61 3i9m h ILE 73 CO 0.19 0.58 -0.40 -1.00 0.00 0.00 0.00 178.15 177.51 3i9m s HIS 74 N -3.66 3.29 0.52 1.37 3.76 -0.50 -4.95 115.29 115.12 3i9m s HIS 74 Ca -0.12 -1.23 0.19 0.00 -0.15 0.00 0.00 55.06 53.75 3i9m s HIS 74 Cb 0.06 -3.05 1.35 0.00 1.11 0.00 0.00 32.58 32.06 3i9m s HIS 74 CO 0.85 -0.82 2.14 -1.00 -0.85 0.00 0.00 174.74 175.06 3i9m h PRO 75 N 8.57 0.00 0.00 8.40 0.13 -1.84 0.05 132.00 147.31 3i9m h PRO 75 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3i9m h PRO 75 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i9m h PRO 75 CO 0.81 0.04 -0.04 1.05 -0.23 0.00 0.00 178.00 179.64 3i9m h GLU 76 N 0.00 0.00 -0.15 0.86 9.09 -1.92 -2.37 114.58 120.08 3i9m h GLU 76 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i9m h GLU 76 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.18 3i9m h GLU 76 CO 0.01 0.04 0.00 -1.33 0.05 0.00 0.00 179.01 177.77 3i9m n MET 77 N -3.71 1.54 -0.38 1.06 2.81 -0.03 -4.72 117.12 113.69 3i9m n MET 77 Ca -0.03 -1.51 0.33 0.00 -1.81 0.00 0.00 57.70 54.68 3i9m n MET 77 Cb 0.13 -1.21 0.59 0.00 -0.71 0.00 0.00 33.22 32.02 3i9m n MET 77 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i9m h ARG 78 N 1.88 0.09 0.11 0.03 3.08 -1.02 -1.26 114.38 117.29 3i9m h ARG 78 Ca 0.00 -0.01 -0.28 0.00 0.07 0.00 0.00 59.98 59.76 3i9m h ARG 78 Cb 0.55 -0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.60 3i9m h ARG 78 CO 0.00 0.06 -1.20 1.12 -1.07 0.00 0.00 179.97 178.88 3i9m h HIS 79 N 0.09 0.81 -0.94 3.04 2.07 -1.84 -3.47 115.15 114.91 3i9m h HIS 79 Ca 0.82 -0.52 -0.76 0.00 -2.85 0.00 0.00 60.37 57.06 3i9m h HIS 79 Cb 2.29 -0.06 0.04 0.00 2.57 0.00 0.00 27.41 32.25 3i9m h HIS 79 CO -0.01 1.37 0.19 0.28 -3.07 0.00 0.00 177.93 176.69 3i9m n VAL 80 N -3.72 0.00 -2.88 6.12 0.31 -0.48 -4.87 118.33 112.82 3i9m n VAL 80 Ca -0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.79 3i9m n VAL 80 Cb 0.97 -0.10 -0.05 0.00 -0.91 0.00 0.00 33.84 33.75 3i9m n VAL 80 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i9m s ASP 81 N 0.62 6.48 0.28 4.52 3.68 -1.26 -4.93 116.67 126.07 3i9m s ASP 81 Ca 0.89 0.09 0.07 0.00 2.13 0.00 0.00 52.55 55.73 3i9m s ASP 81 Cb -1.25 -2.43 0.41 0.00 -1.45 0.00 0.00 42.92 38.21 3i9m s ASP 81 CO 0.59 -0.97 1.66 0.00 0.13 0.00 0.00 175.17 176.58 3i9m h GLN 83 N 0.14 1.18 -0.49 0.00 5.75 -1.95 0.10 115.11 119.84 3i9m h GLN 83 Ca 0.01 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.28 3i9m h GLN 83 Cb 0.92 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 3i9m h GLN 83 CO 0.07 0.92 0.16 0.77 -2.65 0.00 0.00 178.83 178.11 3i9m h SER 84 N 1.16 0.71 -0.09 -0.69 0.02 -1.86 -0.08 113.55 112.71 3i9m h SER 84 Ca 0.27 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 3i9m h SER 84 Cb 0.16 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 3i9m h SER 84 CO -0.03 0.71 -0.19 0.58 -1.14 0.00 0.00 176.83 176.77 3i9m h VAL 85 N 0.66 0.53 -0.58 2.27 2.07 -0.83 -0.55 116.25 119.82 3i9m h VAL 85 Ca 0.16 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.72 3i9m h VAL 85 Cb 0.25 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3i9m h VAL 85 CO -0.01 0.00 0.32 -0.25 0.02 0.00 0.00 177.57 177.65 3i9m h TRP 86 N -0.26 0.59 -0.89 1.57 2.91 -0.52 -0.00 115.95 119.36 3i9m h TRP 86 Ca 0.09 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.16 3i9m h TRP 86 Cb 0.38 -0.18 -0.05 0.00 -0.51 0.00 0.00 29.16 28.79 3i9m h TRP 86 CO -0.28 0.30 0.57 -0.44 -1.03 0.00 0.00 178.44 177.56 3i9m h ASP 87 N 0.62 0.95 0.08 2.65 3.32 -0.71 0.23 116.42 123.55 3i9m h ASP 87 Ca 0.25 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.14 3i9m h ASP 87 Cb 0.12 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3i9m h ASP 87 CO -0.15 0.65 -0.55 0.00 -1.72 0.00 0.00 179.24 177.47 3i9m h ALA 88 N 1.37 0.73 -0.19 3.45 0.00 -0.74 -0.38 119.26 123.50 3i9m h ALA 88 Ca 0.36 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3i9m h ALA 88 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i9m h ALA 88 CO -0.12 0.69 -0.05 0.35 0.00 0.00 0.00 179.25 180.12 3i9m h PHE 89 N 0.39 0.41 -0.58 0.00 3.04 -0.55 -2.74 116.94 116.90 3i9m h PHE 89 Ca 0.01 -0.09 0.02 0.00 3.98 0.00 0.00 57.97 61.89 3i9m h PHE 89 Cb 1.09 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 39.46 3i9m h PHE 89 CO 0.04 0.62 0.35 0.87 -2.02 0.00 0.00 178.31 178.18 3i9m h LYS 90 N 0.07 0.68 -0.22 1.11 1.57 -0.54 -2.76 116.57 116.49 3i9m h LYS 90 Ca 0.05 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3i9m h LYS 90 Cb 0.49 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3i9m h LYS 90 CO 0.02 0.45 0.16 0.78 -0.57 0.00 0.00 179.45 180.29 3i9m h GLY 91 N 0.70 0.05 1.89 3.86 0.00 -0.89 0.18 103.07 108.87 3i9m h GLY 91 Ca 0.23 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 3i9m h GLY 91 CO -0.09 0.01 -0.34 0.00 0.00 0.00 0.00 176.54 176.12 3i9m h ALA 92 N 1.89 1.31 0.00 3.60 0.00 -1.19 -3.38 119.26 121.49 3i9m h ALA 92 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3i9m h ALA 92 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i9m h ALA 92 CO -0.01 0.49 -0.67 1.97 0.00 0.00 0.00 179.25 181.03 3i9m n PHE 93 N -4.10 0.00 -2.25 0.00 1.16 -0.86 -4.79 117.46 106.62 3i9m n PHE 93 Ca -0.02 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.17 3i9m n PHE 93 Cb 0.41 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.25 3i9m n PHE 93 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3i9m s ILE 94 N -1.38 3.01 -1.46 1.97 -1.09 0.59 -2.58 121.20 120.26 3i9m s ILE 94 Ca 0.00 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 3i9m s ILE 94 Cb 0.00 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 3i9m s ILE 94 CO 0.00 0.20 0.00 -1.20 -1.23 0.00 0.00 174.94 172.71 3i9m n SER 95 N 0.72 -5.17 -4.43 3.58 7.64 -1.18 -4.92 113.62 109.86 3i9m n SER 95 Ca 0.01 0.34 -0.30 0.00 1.01 0.00 0.00 58.87 59.93 3i9m n SER 95 Cb 0.44 -3.88 -0.13 0.00 -1.01 0.00 0.00 64.21 59.63 3i9m n SER 95 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3i9m s LYS 96 N -3.09 1.80 0.16 1.43 1.02 -1.07 -3.65 119.74 116.34 3i9m s LYS 96 Ca 0.00 -1.13 -0.31 0.00 0.02 0.00 0.00 55.97 54.54 3i9m s LYS 96 Cb 0.00 -2.07 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 3i9m s LYS 96 CO 0.00 0.50 1.45 -1.58 -0.92 0.00 0.00 175.35 174.80 3i9m s HIS 97 N -0.98 3.15 -2.02 3.18 5.65 -1.26 -3.46 115.29 119.55 3i9m s HIS 97 Ca 0.15 0.87 0.12 0.00 0.25 0.00 0.00 55.06 56.44 3i9m s HIS 97 Cb -0.10 -3.78 0.64 0.00 -1.18 0.00 0.00 32.58 28.16 3i9m s HIS 97 CO 0.06 -2.76 1.42 -0.35 -0.65 0.00 0.00 174.74 172.46 3i9m n PRO 98 N 3.63 1.09 -0.25 2.88 -0.04 -1.26 -1.13 135.00 139.92 3i9m n PRO 98 Ca 0.11 -0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.50 3i9m n PRO 98 Cb 0.41 -1.19 0.18 0.00 -0.04 0.00 0.00 33.50 32.86 3i9m n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9m n ASP 100 N 0.30 2.46 -4.82 0.00 4.64 -0.28 -4.62 116.55 114.23 3i9m n ASP 100 Ca 0.14 -2.52 -0.37 0.00 -1.38 0.00 0.00 54.79 50.66 3i9m n ASP 100 Cb 0.54 -0.45 -0.06 0.00 -1.04 0.00 0.00 41.12 40.12 3i9m n ASP 100 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3i9m s ILE 101 N -4.00 4.68 0.21 5.18 -1.09 -0.75 -4.80 121.20 120.62 3i9m s ILE 101 Ca 0.33 1.18 0.08 0.00 -2.23 0.00 0.00 60.65 60.02 3i9m s ILE 101 Cb 0.35 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 3i9m s ILE 101 CO -0.02 0.37 -0.15 0.42 -1.23 0.00 0.00 174.94 174.34 3i9m s THR 102 N -1.32 1.78 0.49 2.92 -4.23 -1.26 -4.77 115.64 109.25 3i9m s THR 102 Ca 0.36 -2.21 0.18 0.00 -1.18 0.00 0.00 61.69 58.84 3i9m s THR 102 Cb -0.18 -2.05 0.33 0.00 1.34 0.00 0.00 72.50 71.95 3i9m s THR 102 CO 0.20 -0.58 2.04 -0.33 -0.54 0.00 0.00 174.62 175.41 3i9m h GLU 103 N 2.57 0.16 -0.23 3.99 5.08 -1.98 -1.53 114.58 122.64 3i9m h GLU 103 Ca -0.38 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 3i9m h GLU 103 Cb 1.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3i9m h GLU 103 CO 0.61 0.10 -0.10 0.93 -1.00 0.00 0.00 179.01 179.55 3i9m h GLU 104 N 0.16 0.37 -0.71 2.33 3.07 -1.99 -2.01 114.58 115.80 3i9m h GLU 104 Ca 0.19 -0.09 0.12 0.00 -0.50 0.00 0.00 59.36 59.08 3i9m h GLU 104 Cb 0.53 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.35 3i9m h GLU 104 CO -0.03 0.48 0.47 -0.44 -1.40 0.00 0.00 179.01 178.10 3i9m h ASP 105 N 0.35 0.42 -0.05 1.42 3.32 -1.60 -1.12 116.42 119.16 3i9m h ASP 105 Ca 0.07 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3i9m h ASP 105 Cb 0.40 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3i9m h ASP 105 CO 0.02 0.23 0.00 -1.22 -1.72 0.00 0.00 179.24 176.56 3i9m n TYR 106 N -4.48 0.04 -0.19 4.55 4.02 -0.76 -4.00 117.16 116.33 3i9m n TYR 106 Ca 0.13 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.90 57.92 3i9m n TYR 106 Cb 0.45 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.79 3i9m n TYR 106 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3i9m h GLN 107 N 2.60 0.81 -0.61 -0.72 1.08 -1.14 0.11 115.11 117.25 3i9m h GLN 107 Ca 0.00 -0.13 0.08 0.00 -1.45 0.00 0.00 58.65 57.15 3i9m h GLN 107 Cb 0.56 -0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.78 3i9m h GLN 107 CO 0.00 0.68 0.27 -1.35 -0.95 0.00 0.00 178.83 177.48 3i9m h PRO 108 N 0.75 0.48 -0.40 1.46 0.11 -1.78 0.19 132.00 132.81 3i9m h PRO 108 Ca 0.19 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 3i9m h PRO 108 Cb 0.15 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3i9m h PRO 108 CO -0.02 0.32 0.17 1.25 -0.21 0.00 0.00 178.00 179.51 3i9m h LEU 109 N 0.50 0.54 -0.58 2.35 5.85 -1.66 -2.20 115.31 120.11 3i9m h LEU 109 Ca 0.29 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3i9m h LEU 109 Cb 0.29 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3i9m h LEU 109 CO -0.25 0.55 0.28 0.24 -0.34 0.00 0.00 178.44 178.92 3i9m h MET 110 N 0.50 0.51 -0.31 1.25 2.86 -0.39 0.52 114.93 119.85 3i9m h MET 110 Ca 0.13 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3i9m h MET 110 Cb 0.17 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3i9m h MET 110 CO -0.01 0.33 0.21 -0.22 1.06 0.00 0.00 176.91 178.28 3i9m h LYS 111 N 0.52 0.41 -0.00 1.72 3.64 -0.77 -1.98 116.57 120.11 3i9m h LYS 111 Ca 0.27 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3i9m h LYS 111 Cb 0.23 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3i9m h LYS 111 CO -0.21 0.28 -0.42 -0.07 -2.27 0.00 0.00 179.45 176.76 3i9m h LEU 112 N 0.42 0.01 -2.42 5.20 3.38 -0.78 -2.84 115.31 118.29 3i9m h LEU 112 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i9m h LEU 112 Cb -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i9m h LEU 112 CO -0.02 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.54 3i9m n GLY 113 N -0.32 2.03 3.58 0.83 0.00 0.12 -4.95 105.19 106.47 3i9m n GLY 113 Ca -0.02 -0.66 -0.52 0.00 0.00 0.00 0.00 46.02 44.83 3i9m n GLY 113 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i9m n THR 114 N 0.95 0.29 -3.64 2.61 -1.04 -0.78 -4.72 114.28 107.96 3i9m n THR 114 Ca 0.20 -0.07 -0.11 0.00 -2.04 0.00 0.00 64.05 62.03 3i9m n THR 114 Cb 0.66 -0.74 -0.07 0.00 -1.82 0.00 0.00 70.33 68.36 3i9m n THR 114 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3i9m s GLN 115 N 0.16 0.68 -0.02 -2.82 0.74 -1.26 -5.08 119.66 112.07 3i9m s GLN 115 Ca 0.81 0.89 -0.24 0.00 0.05 0.00 0.00 55.36 56.88 3i9m s GLN 115 Cb -0.95 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 33.40 3i9m s GLN 115 CO 0.49 -0.10 0.74 0.99 -0.55 0.00 0.00 175.29 176.87 3i9m s THR 116 N 0.62 4.91 0.02 -0.34 2.01 -1.26 -5.07 115.64 116.53 3i9m s THR 116 Ca -0.01 1.54 0.07 0.00 0.31 0.00 0.00 61.69 63.60 3i9m s THR 116 Cb -0.05 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 3i9m s THR 116 CO -0.06 0.30 -0.22 0.68 -0.69 0.00 0.00 174.62 174.63 3i9m s VAL 117 N 0.43 1.79 -0.37 3.82 -7.23 -1.26 -5.07 120.40 112.49 3i9m s VAL 117 Ca 0.38 -1.13 -0.34 0.00 -1.81 0.00 0.00 61.98 59.08 3i9m s VAL 117 Cb -0.19 -1.52 -0.11 0.00 0.56 0.00 0.00 36.38 35.12 3i9m s VAL 117 CO 0.21 0.35 2.22 -2.65 -0.31 0.00 0.00 175.10 174.92 3i9m n PRO 118 N 2.11 1.07 0.29 4.82 -0.02 -1.26 -4.78 135.00 137.23 3i9m n PRO 118 Ca -0.16 0.27 0.15 0.00 -2.02 0.00 0.00 63.50 61.74 3i9m n PRO 118 Cb 0.53 -2.51 0.87 0.00 -0.02 0.00 0.00 33.50 32.37 3i9m n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9m n ASN 120 N -3.68 2.02 -0.67 0.00 6.94 -1.26 -1.09 115.26 117.52 3i9m n ASN 120 Ca -0.02 -1.75 0.06 0.00 -0.02 0.00 0.00 54.58 52.84 3i9m n ASN 120 Cb 0.15 -0.12 0.19 0.00 -2.36 0.00 0.00 39.78 37.64 3i9m n ASN 120 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3i9m n LYS 121 N 0.56 1.46 -2.94 -3.83 5.02 -0.72 -4.58 118.16 113.12 3i9m n LYS 121 Ca 0.17 -3.20 -0.40 0.00 -2.02 0.00 0.00 58.31 52.86 3i9m n LYS 121 Cb 0.39 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.87 3i9m n LYS 121 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i9m s ILE 122 N -2.97 4.70 -0.27 -0.18 1.01 -1.26 -0.55 121.20 121.68 3i9m s ILE 122 Ca 0.38 1.69 0.01 0.00 0.00 0.00 0.00 60.65 62.73 3i9m s ILE 122 Cb 0.37 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.75 3i9m s ILE 122 CO -0.08 0.36 -0.07 -0.22 0.00 0.00 0.00 174.94 174.92 3i9m s LEU 123 N -0.05 3.54 0.56 2.97 2.96 0.12 -1.76 118.68 127.03 3i9m s LEU 123 Ca 0.40 -1.30 -0.03 0.00 -0.22 0.00 0.00 54.13 52.97 3i9m s LEU 123 Cb -0.21 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 44.89 3i9m s LEU 123 CO 0.24 -0.20 0.84 -0.76 -1.32 0.00 0.00 176.35 175.14 3i9m s LEU 124 N 1.17 3.28 0.04 -0.68 1.43 0.86 -4.13 118.68 120.65 3i9m s LEU 124 Ca -0.07 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.32 3i9m s LEU 124 Cb -0.20 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.80 3i9m s LEU 124 CO -0.04 -1.07 0.31 -1.66 0.23 0.00 0.00 176.35 174.12 3i9m s TRP 125 N -2.88 -0.12 -0.18 0.29 1.48 -1.26 -1.40 118.94 114.87 3i9m s TRP 125 Ca 0.54 0.02 -0.03 0.00 -1.06 0.00 0.00 56.10 55.57 3i9m s TRP 125 Cb -0.10 0.10 0.06 0.00 -1.16 0.00 0.00 33.47 32.37 3i9m s TRP 125 CO 0.42 -0.50 0.03 0.45 -4.06 0.00 0.00 176.95 173.29 3i9m s SER 126 N -1.99 2.71 -1.73 -2.66 0.15 -0.38 -4.82 113.70 104.98 3i9m s SER 126 Ca -0.06 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.88 3i9m s SER 126 Cb -0.01 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 3i9m s SER 126 CO -0.02 -0.29 0.00 0.54 1.20 0.00 0.00 173.24 174.67 3i9m n ARG 127 N 5.07 -1.33 -2.72 5.44 1.74 -1.26 -3.62 116.66 119.97 3i9m n ARG 127 Ca -0.09 1.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.96 3i9m n ARG 127 Cb 0.48 -5.38 0.08 0.00 -1.02 0.00 0.00 32.46 26.61 3i9m n ARG 127 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3i9m n ILE 128 N -3.19 0.65 -0.36 0.55 3.06 -1.26 -4.70 119.36 114.12 3i9m n ILE 128 Ca -0.19 -2.25 -0.01 0.00 -2.50 0.00 0.00 62.75 57.79 3i9m n ILE 128 Cb 0.62 0.99 0.12 0.00 0.54 0.00 0.00 39.64 41.92 3i9m n ILE 128 CO 0.00 0.00 0.00 0.07 -2.50 0.00 0.00 176.55 174.12 3i9m h LYS 129 N 2.26 1.21 -0.62 9.51 2.10 -1.94 -2.93 116.57 126.16 3i9m h LYS 129 Ca -0.22 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.32 3i9m h LYS 129 Cb 1.26 -0.27 -0.03 0.00 -0.90 0.00 0.00 32.23 32.29 3i9m h LYS 129 CO 0.14 0.80 0.27 -0.44 -2.00 0.00 0.00 179.45 178.22 3i9m h ASP 130 N 1.25 0.84 -0.24 7.07 3.32 -1.99 -0.70 116.42 125.96 3i9m h ASP 130 Ca 0.37 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 3i9m h ASP 130 Cb -0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3i9m h ASP 130 CO -0.11 0.77 -0.24 0.25 -1.72 0.00 0.00 179.24 178.19 3i9m h LEU 131 N 0.86 0.73 -0.43 1.55 6.46 -1.98 -0.56 115.31 121.94 3i9m h LEU 131 Ca 0.21 -0.27 0.04 0.00 -0.12 0.00 0.00 57.88 57.74 3i9m h LEU 131 Cb 0.17 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 3i9m h LEU 131 CO -0.02 0.95 0.19 0.00 -0.62 0.00 0.00 178.44 178.94 3i9m h ALA 132 N 1.10 0.53 -0.51 1.25 0.00 -1.18 -0.51 119.26 119.94 3i9m h ALA 132 Ca 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3i9m h ALA 132 Cb 0.74 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3i9m h ALA 132 CO 0.06 -0.18 0.14 0.45 0.00 0.00 0.00 179.25 179.73 3i9m h HIS 133 N 0.39 0.83 -0.82 0.00 3.86 -0.92 -2.02 115.15 116.47 3i9m h HIS 133 Ca 0.19 -0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3i9m h HIS 133 Cb 0.13 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 3i9m h HIS 133 CO -0.12 0.73 0.54 1.96 0.86 0.00 0.00 177.93 181.90 3i9m h GLN 134 N 0.69 1.03 0.21 2.45 4.20 -0.64 -2.11 115.11 120.95 3i9m h GLN 134 Ca 0.16 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3i9m h GLN 134 Cb 0.30 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3i9m h GLN 134 CO -0.00 0.68 -0.10 0.35 -0.67 0.00 0.00 178.83 179.09 3i9m h PHE 135 N 1.06 -0.26 0.00 2.96 3.04 -0.74 -3.12 116.94 119.89 3i9m h PHE 135 Ca 0.31 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.24 3i9m h PHE 135 Cb -0.04 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 3i9m h PHE 135 CO -0.00 0.11 -0.07 1.79 -2.02 0.00 0.00 178.31 178.13 3i9m h THR 136 N -0.71 0.25 0.00 4.41 1.35 -1.25 -2.49 112.91 114.48 3i9m h THR 136 Ca -0.03 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.33 3i9m h THR 136 Cb 0.49 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3i9m h THR 136 CO 0.05 0.07 -0.05 1.56 -0.25 0.00 0.00 175.52 176.89 3i9m h GLN 137 N 0.00 0.00 0.34 4.72 4.20 -1.31 -0.65 115.11 122.40 3i9m h GLN 137 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3i9m h GLN 137 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3i9m h GLN 137 CO 0.01 0.05 -0.16 0.28 -0.67 0.00 0.00 178.83 178.34 3i9m h VAL 138 N 0.00 0.68 0.00 -0.54 2.07 -1.48 -3.40 116.25 113.58 3i9m h VAL 138 Ca -0.00 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3i9m h VAL 138 Cb 0.56 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.02 3i9m h VAL 138 CO 0.01 0.03 -0.32 0.00 0.02 0.00 0.00 177.57 177.31 3i9m n GLN 139 N -5.25 0.00 -3.63 1.57 10.64 -1.25 -5.01 117.38 114.45 3i9m n GLN 139 Ca -0.10 -0.74 -0.24 0.00 -1.83 0.00 0.00 57.00 54.08 3i9m n GLN 139 Cb 0.22 0.03 0.07 0.00 -0.86 0.00 0.00 30.24 29.71 3i9m n GLN 139 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3i9m n ARG 140 N 0.07 -7.62 -0.03 2.61 1.74 -0.25 -4.87 116.66 108.32 3i9m n ARG 140 Ca -0.07 0.80 0.01 0.00 -0.77 0.00 0.00 57.85 57.83 3i9m n ARG 140 Cb 0.68 -5.84 0.33 0.00 -1.02 0.00 0.00 32.46 26.62 3i9m n ARG 140 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3i9m h ASP 141 N -2.59 0.53 -5.60 0.55 3.32 -1.86 -3.45 116.42 107.32 3i9m h ASP 141 Ca -0.57 -0.06 -0.26 0.00 0.02 0.00 0.00 57.03 56.16 3i9m h ASP 141 Cb 1.37 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.64 3i9m h ASP 141 CO 0.57 0.50 -0.55 -0.04 -1.72 0.00 0.00 179.24 178.00 3i9m s MET 142 N -5.23 1.32 -0.09 3.56 -1.94 -1.26 -4.91 119.30 110.74 3i9m s MET 142 Ca -0.08 -1.66 0.02 0.00 -1.71 0.00 0.00 55.69 52.26 3i9m s MET 142 Cb 0.16 0.30 0.01 0.00 2.01 0.00 0.00 34.83 37.31 3i9m s MET 142 CO 0.76 -0.45 -0.16 -0.06 -0.01 0.00 0.00 175.02 175.10 3i9m s PHE 143 N -4.03 1.90 0.51 -0.03 0.08 0.29 -4.76 117.98 111.95 3i9m s PHE 143 Ca 0.38 -0.83 0.05 0.00 0.12 0.00 0.00 56.93 56.65 3i9m s PHE 143 Cb 0.06 -1.36 0.04 0.00 -0.57 0.00 0.00 43.02 41.19 3i9m s PHE 143 CO 0.14 -0.41 0.71 0.95 -0.10 0.00 0.00 175.22 176.51 3i9m s THR 144 N 0.81 2.69 0.54 0.64 -4.23 -1.26 -0.70 115.64 114.12 3i9m s THR 144 Ca -0.11 -0.84 0.23 0.00 -1.18 0.00 0.00 61.69 59.79 3i9m s THR 144 Cb -0.16 -2.85 0.30 0.00 1.34 0.00 0.00 72.50 71.14 3i9m s THR 144 CO 0.01 0.00 2.18 0.25 -0.54 0.00 0.00 174.62 176.53 3i9m h LEU 145 N 0.27 0.00 0.00 4.79 5.85 -1.97 -0.88 115.31 123.37 3i9m h LEU 145 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3i9m h LEU 145 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3i9m h LEU 145 CO 0.47 0.02 0.00 -0.62 -0.34 0.00 0.00 178.44 177.97 3i9m n GLU 146 N -4.14 0.38 0.00 1.25 4.71 -1.26 -1.96 120.64 119.61 3i9m n GLU 146 Ca -0.03 0.05 0.14 0.00 -0.01 0.00 0.00 57.16 57.31 3i9m n GLU 146 Cb 0.11 -1.50 0.56 0.00 -1.01 0.00 0.00 31.44 29.60 3i9m n GLU 146 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3i9m n ASP 147 N -1.27 0.62 -4.96 1.62 10.43 -0.33 -3.56 116.55 119.09 3i9m n ASP 147 Ca 0.12 -0.67 -0.22 0.00 2.57 0.00 0.00 54.79 56.59 3i9m n ASP 147 Cb 0.19 -0.02 -0.02 0.00 1.84 0.00 0.00 41.12 43.11 3i9m n ASP 147 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3i9m s THR 148 N -2.47 5.21 0.10 -3.53 -4.23 -0.83 -4.95 115.64 104.94 3i9m s THR 148 Ca 0.28 -0.81 -0.29 0.00 -1.18 0.00 0.00 61.69 59.69 3i9m s THR 148 Cb 0.20 -3.86 -0.11 0.00 1.34 0.00 0.00 72.50 70.07 3i9m s THR 148 CO 0.48 -0.40 1.63 0.25 -0.54 0.00 0.00 174.62 176.05 3i9m h LEU 149 N 1.07 -0.78 -0.75 4.79 5.85 -1.88 -0.43 115.31 123.17 3i9m h LEU 149 Ca -0.51 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3i9m h LEU 149 Cb 1.23 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 3i9m h LEU 149 CO 0.61 -0.40 0.42 -0.07 -0.34 0.00 0.00 178.44 178.66 3i9m h LEU 150 N -0.58 0.93 -0.69 2.25 3.38 -1.88 -0.05 115.31 118.68 3i9m h LEU 150 Ca 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3i9m h LEU 150 Cb 0.55 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3i9m h LEU 150 CO -0.09 0.75 0.38 1.23 0.09 0.00 0.00 178.44 180.80 3i9m h GLY 151 N 1.03 1.02 1.01 0.83 0.00 -1.59 -2.48 103.07 102.89 3i9m h GLY 151 Ca 0.27 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3i9m h GLY 151 CO -0.04 0.44 0.31 -1.82 0.00 0.00 0.00 176.54 175.42 3i9m h TYR 152 N 0.94 1.01 -0.71 5.60 5.03 -0.38 -1.07 116.97 127.39 3i9m h TYR 152 Ca 0.24 -0.06 0.03 0.00 2.58 0.00 0.00 58.73 61.52 3i9m h TYR 152 Cb 0.03 -0.31 -0.04 0.00 1.55 0.00 0.00 36.73 37.95 3i9m h TYR 152 CO -0.01 0.77 0.44 -0.07 -1.32 0.00 0.00 178.16 177.97 3i9m h LEU 153 N 0.96 0.73 -0.05 2.82 3.38 -0.79 -3.23 115.31 119.13 3i9m h LEU 153 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3i9m h LEU 153 Cb 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i9m h LEU 153 CO -0.03 0.50 -0.82 0.00 0.09 0.00 0.00 178.44 178.18 3i9m n ALA 154 N -2.32 4.35 -1.66 1.53 0.00 -0.95 -4.78 120.51 116.67 3i9m n ALA 154 Ca 0.08 -0.53 -0.52 0.00 0.00 0.00 0.00 53.44 52.47 3i9m n ALA 154 Cb 0.09 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 3i9m n ALA 154 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i9m n ASP 155 N -1.43 2.46 -0.05 0.00 4.64 -0.42 -1.16 116.55 120.59 3i9m n ASP 155 Ca 0.05 1.07 -0.01 0.00 -1.38 0.00 0.00 54.79 54.52 3i9m n ASP 155 Cb 0.34 -1.24 -0.00 0.00 -1.04 0.00 0.00 41.12 39.17 3i9m n ASP 155 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3i9m n ASP 156 N 4.44 -4.78 -4.92 1.67 8.00 -1.26 -4.99 116.55 114.71 3i9m n ASP 156 Ca 0.22 0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.53 3i9m n ASP 156 Cb 0.20 -2.34 -0.03 0.00 -0.02 0.00 0.00 41.12 38.93 3i9m n ASP 156 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i9m s LEU 157 N -0.16 4.05 0.01 0.64 1.43 -0.31 -5.05 118.68 119.29 3i9m s LEU 157 Ca 0.00 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 3i9m s LEU 157 Cb 0.00 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 3i9m s LEU 157 CO 0.00 -0.13 -0.14 -0.89 0.23 0.00 0.00 176.35 175.41 3i9m s THR 158 N -2.08 1.13 -0.04 5.49 2.01 -1.26 -5.00 115.64 115.88 3i9m s THR 158 Ca 0.36 -0.79 -0.28 0.00 0.31 0.00 0.00 61.69 61.29 3i9m s THR 158 Cb -0.08 -0.98 0.06 0.00 0.01 0.00 0.00 72.50 71.51 3i9m s THR 158 CO 0.28 0.18 0.62 -1.66 -0.69 0.00 0.00 174.62 173.35 3i9m s TRP 159 N -0.56 -0.59 0.06 4.92 -2.14 -1.26 -0.61 118.94 118.76 3i9m s TRP 159 Ca 0.04 0.99 -0.27 0.00 2.66 0.00 0.00 56.10 59.53 3i9m s TRP 159 Cb -0.07 0.36 0.09 0.00 -3.10 0.00 0.00 33.47 30.75 3i9m s TRP 159 CO 0.00 -0.58 0.85 0.00 -2.66 0.00 0.00 176.95 174.56 3i9m n GLY 161 N -0.31 6.94 2.96 0.00 0.00 -1.26 -1.00 105.19 112.52 3i9m n GLY 161 Ca -0.10 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 3i9m n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9m s GLU 162 N 1.33 0.32 0.26 1.61 2.02 -1.24 -4.52 118.70 118.48 3i9m s GLU 162 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.37 3i9m s GLU 162 Cb 0.00 -0.20 -0.09 0.00 0.10 0.00 0.00 34.13 33.93 3i9m s GLU 162 CO 0.00 0.05 1.30 0.12 0.02 0.00 0.00 175.26 176.75 3i9m s PHE 163 N -0.57 3.20 -1.54 1.61 5.36 -1.22 -2.92 117.98 121.89 3i9m s PHE 163 Ca -0.04 1.32 0.00 0.00 -0.96 0.00 0.00 56.93 57.25 3i9m s PHE 163 Cb -0.04 -3.62 0.00 0.00 -0.34 0.00 0.00 43.02 39.02 3i9m s PHE 163 CO -0.00 -1.81 0.00 -0.25 -1.46 0.00 0.00 175.22 171.70 3i9m n ASP 164 N 1.84 -4.38 -4.16 6.13 8.00 -1.24 -4.92 116.55 117.83 3i9m n ASP 164 Ca 0.03 0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.70 3i9m n ASP 164 Cb 0.42 -3.86 -0.10 0.00 -0.02 0.00 0.00 41.12 37.57 3i9m n ASP 164 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3i9m s THR 165 N -2.52 0.68 -0.29 -3.53 -1.32 -1.23 -5.04 115.64 102.39 3i9m s THR 165 Ca 0.00 -1.88 0.12 0.00 -1.21 0.00 0.00 61.69 58.72 3i9m s THR 165 Cb 0.00 -1.61 0.78 0.00 -1.51 0.00 0.00 72.50 70.16 3i9m s THR 165 CO 0.00 -0.84 1.76 -1.54 -2.21 0.00 0.00 174.62 171.79 3i9m n SER 166 N 0.05 5.35 -4.79 8.08 3.41 -1.26 -3.09 113.62 121.36 3i9m n SER 166 Ca -0.13 -3.03 -0.37 0.00 -0.26 0.00 0.00 58.87 55.09 3i9m n SER 166 Cb 0.60 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 3i9m n SER 166 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i9m s LYS 167 N -2.82 4.45 0.18 4.33 1.02 -1.26 -4.75 119.74 120.88 3i9m s LYS 167 Ca 0.54 1.14 -0.30 0.00 0.02 0.00 0.00 55.97 57.37 3i9m s LYS 167 Cb 0.42 -2.84 -0.07 0.00 -0.52 0.00 0.00 37.83 34.82 3i9m s LYS 167 CO 0.15 0.33 0.99 0.42 -0.92 0.00 0.00 175.35 176.32 3i9m s ILE 168 N -1.57 4.17 -0.50 2.17 1.01 -1.26 -3.61 121.20 121.60 3i9m s ILE 168 Ca 0.47 1.94 -0.22 0.00 0.00 0.00 0.00 60.65 62.85 3i9m s ILE 168 Cb -0.18 -4.24 0.04 0.00 0.01 0.00 0.00 42.46 38.09 3i9m s ILE 168 CO 0.23 0.37 0.76 0.21 0.00 0.00 0.00 174.94 176.50 3i9m s ASN 169 N -0.44 6.32 0.00 3.58 3.84 -0.17 -4.87 114.94 123.19 3i9m s ASN 169 Ca 0.45 -0.47 0.25 0.00 0.21 0.00 0.00 52.86 53.31 3i9m s ASN 169 Cb -0.26 -2.36 0.54 0.00 -0.55 0.00 0.00 41.25 38.62 3i9m s ASN 169 CO 0.32 -0.98 1.43 -1.22 -2.79 0.00 0.00 177.10 173.87 3i9m n TYR 170 N 6.70 0.00 -0.08 0.43 4.02 -1.26 -1.40 117.16 125.56 3i9m n TYR 170 Ca -0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.65 3i9m n TYR 170 Cb 0.47 -0.05 -0.12 0.00 -0.02 0.00 0.00 39.34 39.62 3i9m n TYR 170 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3i9m n GLN 171 N -0.06 0.64 -3.53 -0.72 1.13 -1.26 -4.04 117.38 109.54 3i9m n GLN 171 Ca 0.13 0.38 -0.13 0.00 -1.94 0.00 0.00 57.00 55.44 3i9m n GLN 171 Cb 0.41 -1.67 -0.04 0.00 0.11 0.00 0.00 30.24 29.05 3i9m n GLN 171 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3i9m s SER 172 N -6.99 -0.47 0.06 1.08 1.04 -1.26 -3.60 113.70 103.56 3i9m s SER 172 Ca -0.29 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.25 3i9m s SER 172 Cb 0.08 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 3i9m s SER 172 CO 0.63 -0.81 -0.06 0.00 0.98 0.00 0.00 173.24 173.98 3i9m n PRO 174 N 0.70 2.15 -3.01 0.00 -0.02 -1.26 -1.64 135.00 131.92 3i9m n PRO 174 Ca -0.18 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 3i9m n PRO 174 Cb 0.58 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 3i9m n PRO 174 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i9m s ASP 175 N -0.22 7.21 0.24 2.55 -1.08 -1.26 -4.60 116.67 119.50 3i9m s ASP 175 Ca 0.57 1.44 -0.07 0.00 -0.52 0.00 0.00 52.55 53.97 3i9m s ASP 175 Cb -0.57 -2.46 0.27 0.00 -1.46 0.00 0.00 42.92 38.70 3i9m s ASP 175 CO 0.61 0.05 1.88 -0.25 0.52 0.00 0.00 175.17 177.98 3i9m h TRP 176 N 5.46 1.05 0.17 -5.34 7.01 -1.94 -0.74 115.95 121.62 3i9m h TRP 176 Ca -0.45 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.57 3i9m h TRP 176 Cb 1.21 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.92 3i9m h TRP 176 CO 0.65 0.60 -0.08 0.00 -2.79 0.00 0.00 178.44 176.82 3i9m h ARG 177 N 1.08 -0.22 -0.07 2.65 3.08 -1.94 -3.31 114.38 115.65 3i9m h ARG 177 Ca 0.35 0.02 -0.20 0.00 0.07 0.00 0.00 59.98 60.22 3i9m h ARG 177 Cb 0.02 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3i9m h ARG 177 CO -0.12 0.06 -0.78 0.87 -1.07 0.00 0.00 179.97 178.92 3i9m h LYS 178 N -1.00 0.45 0.00 0.04 1.57 -1.98 -3.42 116.57 112.22 3i9m h LYS 178 Ca -0.02 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3i9m h LYS 178 Cb 0.38 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3i9m h LYS 178 CO 0.04 1.03 -0.35 -0.25 -0.57 0.00 0.00 179.45 179.35 3i9m n ASP 179 N -3.83 0.74 -3.57 0.86 8.00 -0.34 -4.98 116.55 113.43 3i9m n ASP 179 Ca -0.05 0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.45 3i9m n ASP 179 Cb 0.74 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 3i9m n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9m h SER 181 N 2.85 0.00 -0.48 0.00 4.64 -1.84 -3.35 113.55 115.36 3i9m h SER 181 Ca -0.21 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.81 3i9m h SER 181 Cb 1.16 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.14 3i9m h SER 181 CO 0.30 0.94 0.11 0.59 -0.87 0.00 0.00 176.83 177.90 3i9m n ASN 182 N -3.39 5.96 -4.95 4.97 3.02 -1.26 -4.48 115.26 115.12 3i9m n ASN 182 Ca -0.00 -2.86 -0.23 0.00 -0.03 0.00 0.00 54.58 51.47 3i9m n ASN 182 Cb 0.90 -1.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 3i9m n ASN 182 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i9m s ASN 183 N 1.03 5.99 0.27 6.41 4.22 -1.25 -1.82 114.94 129.79 3i9m s ASN 183 Ca 0.48 0.27 -0.01 0.00 -2.14 0.00 0.00 52.86 51.46 3i9m s ASN 183 Cb 0.28 -1.65 0.47 0.00 1.28 0.00 0.00 41.25 41.63 3i9m s ASN 183 CO -0.08 -0.54 1.84 -0.65 -2.04 0.00 0.00 177.10 175.63 3i9m h PRO 184 N 0.58 0.94 -0.01 3.55 0.11 -1.80 -1.07 132.00 134.30 3i9m h PRO 184 Ca -0.47 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3i9m h PRO 184 Cb 1.24 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3i9m h PRO 184 CO 0.58 0.62 -0.03 0.28 -0.21 0.00 0.00 178.00 179.24 3i9m h VAL 185 N 0.97 1.50 -0.74 3.15 2.07 -1.95 -2.01 116.25 119.24 3i9m h VAL 185 Ca 0.45 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 3i9m h VAL 185 Cb 0.37 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 3i9m h VAL 185 CO -0.24 0.40 0.25 0.28 0.02 0.00 0.00 177.57 178.29 3i9m h SER 186 N -0.59 1.05 -0.33 0.57 0.02 -1.80 -2.00 113.55 110.47 3i9m h SER 186 Ca -0.00 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 60.63 3i9m h SER 186 Cb 0.67 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3i9m h SER 186 CO 0.01 0.96 -0.32 0.58 -1.14 0.00 0.00 176.83 176.92 3i9m h VAL 187 N 1.09 1.28 0.04 2.27 2.07 -1.23 -1.52 116.25 120.25 3i9m h VAL 187 Ca 0.24 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.31 3i9m h VAL 187 Cb 0.27 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3i9m h VAL 187 CO -0.01 0.49 -0.25 0.15 0.02 0.00 0.00 177.57 177.97 3i9m h PHE 188 N 0.72 -0.67 -0.23 1.57 3.57 -1.01 -0.61 116.94 120.29 3i9m h PHE 188 Ca 0.08 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 3i9m h PHE 188 Cb 0.88 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3i9m h PHE 188 CO 0.05 -0.34 -0.29 -1.49 -2.23 0.00 0.00 178.31 174.01 3i9m h TRP 189 N -0.41 0.50 -0.22 0.41 4.06 -1.19 0.52 115.95 119.63 3i9m h TRP 189 Ca 0.05 -0.11 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 3i9m h TRP 189 Cb 0.47 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 3i9m h TRP 189 CO -0.27 0.69 0.04 -0.22 -3.56 0.00 0.00 178.44 175.13 3i9m h LYS 190 N 0.39 0.35 -0.24 0.49 3.64 -1.13 0.17 116.57 120.24 3i9m h LYS 190 Ca 0.05 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 3i9m h LYS 190 Cb 0.71 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3i9m h LYS 190 CO 0.05 0.49 -0.04 1.15 -2.27 0.00 0.00 179.45 178.83 3i9m h THR 191 N 0.16 1.28 -0.28 1.00 2.02 -0.60 -1.25 112.91 115.24 3i9m h THR 191 Ca 0.07 -1.02 -0.16 0.00 0.77 0.00 0.00 66.41 66.06 3i9m h THR 191 Cb 0.30 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3i9m h THR 191 CO 0.00 0.32 -0.48 -0.37 0.37 0.00 0.00 175.52 175.37 3i9m h VAL 192 N 0.20 1.29 -0.56 3.16 -1.51 -0.89 -3.01 116.25 114.93 3i9m h VAL 192 Ca 0.06 -1.67 0.01 0.00 -1.23 0.00 0.00 66.70 63.87 3i9m h VAL 192 Cb 0.49 1.58 -0.03 0.00 -2.13 0.00 0.00 31.29 31.21 3i9m h VAL 192 CO 0.02 0.54 0.37 0.28 -1.23 0.00 0.00 177.57 177.55 3i9m h SER 193 N 0.59 0.64 -0.43 4.19 0.02 -0.57 -2.22 113.55 115.77 3i9m h SER 193 Ca 0.03 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3i9m h SER 193 Cb 1.04 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 3i9m h SER 193 CO 0.10 0.46 0.24 -0.09 -1.14 0.00 0.00 176.83 176.41 3i9m h ARG 194 N 0.76 0.59 -0.74 3.45 2.43 -1.19 -0.64 114.38 119.04 3i9m h ARG 194 Ca 0.21 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3i9m h ARG 194 Cb -0.08 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 3i9m h ARG 194 CO -0.05 0.46 0.22 0.00 -1.51 0.00 0.00 179.97 179.10 3i9m h ARG 195 N 0.56 1.15 -0.25 0.20 3.08 -1.40 -0.93 114.38 116.79 3i9m h ARG 195 Ca 0.15 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3i9m h ARG 195 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3i9m h ARG 195 CO -0.03 0.98 0.03 0.35 -1.07 0.00 0.00 179.97 180.23 3i9m h PHE 196 N 1.10 0.46 -0.63 3.04 3.57 -1.17 -2.53 116.94 120.78 3i9m h PHE 196 Ca 0.24 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3i9m h PHE 196 Cb 0.32 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3i9m h PHE 196 CO 0.03 0.56 0.30 0.00 -2.23 0.00 0.00 178.31 176.96 3i9m h ALA 197 N 0.84 1.34 0.00 2.41 0.00 -0.94 -2.25 119.26 120.66 3i9m h ALA 197 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i9m h ALA 197 Cb 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i9m h ALA 197 CO 0.01 0.51 -0.13 0.93 0.00 0.00 0.00 179.25 180.57 3i9m h GLU 198 N 0.89 0.00 0.00 0.00 5.08 -0.94 -2.67 114.58 116.94 3i9m h GLU 198 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3i9m h GLU 198 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3i9m h GLU 198 CO -0.03 0.13 -0.55 0.00 -1.00 0.00 0.00 179.01 177.56 3i9m n ALA 199 N -2.25 2.94 -1.77 3.43 0.00 -0.85 -4.68 120.51 117.32 3i9m n ALA 199 Ca -0.01 -0.24 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 3i9m n ALA 199 Cb 0.27 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 3i9m n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9m s ALA 200 N -3.13 2.85 0.26 0.00 0.00 -1.01 -4.63 121.76 116.10 3i9m s ALA 200 Ca 0.07 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 3i9m s ALA 200 Cb 0.14 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3i9m s ALA 200 CO 0.70 -0.66 0.31 0.00 0.00 0.00 0.00 175.76 176.11 3i9m n ASP 202 N -0.70 0.00 -4.63 0.00 8.00 -0.00 -4.07 116.55 115.15 3i9m n ASP 202 Ca 0.02 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.14 3i9m n ASP 202 Cb 0.64 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 3i9m n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i9m s VAL 203 N 0.00 5.28 -0.12 2.53 1.01 -1.26 0.38 120.40 128.21 3i9m s VAL 203 Ca 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 3i9m s VAL 203 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3i9m s VAL 203 CO 0.00 0.26 0.00 -0.69 0.00 0.00 0.00 175.10 174.67 3i9m s VAL 204 N 1.53 4.31 0.15 2.92 1.01 -0.27 -4.57 120.40 125.48 3i9m s VAL 204 Ca 0.11 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.92 3i9m s VAL 204 Cb -0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3i9m s VAL 204 CO 0.08 0.55 0.04 -1.00 0.00 0.00 0.00 175.10 174.77 3i9m s HIS 205 N -0.32 2.98 -0.02 5.22 3.76 -0.72 -0.52 115.29 125.67 3i9m s HIS 205 Ca 0.07 -0.07 -0.00 0.00 -0.15 0.00 0.00 55.06 54.91 3i9m s HIS 205 Cb -0.12 -1.46 0.03 0.00 1.11 0.00 0.00 32.58 32.13 3i9m s HIS 205 CO 0.02 0.51 0.03 0.54 -0.85 0.00 0.00 174.74 174.99 3i9m s VAL 206 N -1.61 -0.06 -0.03 -0.90 0.11 0.06 -0.10 120.40 117.87 3i9m s VAL 206 Ca 0.28 0.23 -0.20 0.00 -2.93 0.00 0.00 61.98 59.36 3i9m s VAL 206 Cb -0.10 -0.09 -0.05 0.00 -1.53 0.00 0.00 36.38 34.61 3i9m s VAL 206 CO 0.20 0.10 0.58 -0.04 -3.33 0.00 0.00 175.10 172.61 3i9m s MET 207 N 1.16 4.32 0.04 1.54 -1.94 -0.50 0.19 119.30 124.11 3i9m s MET 207 Ca -0.08 0.69 0.07 0.00 -1.71 0.00 0.00 55.69 54.66 3i9m s MET 207 Cb -0.13 -3.36 -0.02 0.00 2.01 0.00 0.00 34.83 33.32 3i9m s MET 207 CO -0.03 0.32 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.59 3i9m s LEU 208 N 0.01 2.17 -0.70 -0.03 1.43 -0.55 -1.25 118.68 119.76 3i9m s LEU 208 Ca 0.31 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.64 3i9m s LEU 208 Cb -0.18 -0.93 0.05 0.00 0.03 0.00 0.00 46.19 45.16 3i9m s LEU 208 CO 0.16 0.15 1.14 -0.62 0.23 0.00 0.00 176.35 177.41 3i9m s ASP 209 N -1.16 6.17 0.00 2.29 -1.08 -1.24 -0.91 116.67 120.74 3i9m s ASP 209 Ca 0.07 -0.67 0.15 0.00 -0.52 0.00 0.00 52.55 51.58 3i9m s ASP 209 Cb -0.09 -2.50 0.83 0.00 -1.46 0.00 0.00 42.92 39.71 3i9m s ASP 209 CO 0.02 -1.67 1.37 0.61 0.52 0.00 0.00 175.17 176.02 3i9m n GLY 210 N 5.35 -0.63 0.02 2.66 0.00 0.68 -2.32 105.19 110.95 3i9m n GLY 210 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3i9m n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i9m n SER 211 N -1.15 0.64 -4.83 1.61 3.41 -1.25 -4.65 113.62 107.39 3i9m n SER 211 Ca 0.09 -0.29 -0.32 0.00 -0.26 0.00 0.00 58.87 58.10 3i9m n SER 211 Cb 0.09 0.59 -0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3i9m n SER 211 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i9m s ARG 212 N -3.11 3.59 0.28 4.33 1.81 -0.98 -4.96 118.95 119.91 3i9m s ARG 212 Ca 0.07 0.99 -0.02 0.00 -1.72 0.00 0.00 55.73 55.04 3i9m s ARG 212 Cb 0.15 -2.08 0.41 0.00 -0.45 0.00 0.00 34.95 32.99 3i9m s ARG 212 CO 0.77 -0.57 1.94 0.77 -0.68 0.00 0.00 175.30 177.53 3i9m h SER 213 N 0.37 1.00 -3.81 0.23 0.02 -1.92 -3.33 113.55 106.12 3i9m h SER 213 Ca -0.46 -0.02 -0.67 0.00 -0.84 0.00 0.00 61.79 59.80 3i9m h SER 213 Cb 1.20 -0.24 -0.37 0.00 0.14 0.00 0.00 62.40 63.13 3i9m h SER 213 CO 0.60 0.70 -0.80 -0.54 -1.14 0.00 0.00 176.83 175.65 3i9m s LYS 214 N -5.98 2.30 0.08 3.45 1.02 -1.26 -5.00 119.74 114.35 3i9m s LYS 214 Ca -0.12 -1.31 -0.19 0.00 0.02 0.00 0.00 55.97 54.37 3i9m s LYS 214 Cb 0.19 -2.88 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 3i9m s LYS 214 CO 0.80 -0.55 1.55 0.82 -0.92 0.00 0.00 175.35 177.06 3i9m h ILE 215 N 6.70 1.23 -3.53 2.17 2.04 -1.80 -3.34 117.51 120.97 3i9m h ILE 215 Ca -0.21 -0.76 -0.65 0.00 1.00 0.00 0.00 64.86 64.24 3i9m h ILE 215 Cb 1.05 1.29 -0.24 0.00 -0.74 0.00 0.00 36.82 38.18 3i9m h ILE 215 CO 0.48 0.24 -0.66 0.12 0.00 0.00 0.00 178.15 178.32 3i9m s PHE 216 N -5.17 3.04 -0.40 1.37 5.36 -1.26 -4.38 117.98 116.54 3i9m s PHE 216 Ca -0.14 -0.60 -0.10 0.00 -0.96 0.00 0.00 56.93 55.13 3i9m s PHE 216 Cb 0.07 -2.17 0.06 0.00 -0.34 0.00 0.00 43.02 40.64 3i9m s PHE 216 CO 0.73 -0.41 0.24 0.34 -1.46 0.00 0.00 175.22 174.66 3i9m s ASP 217 N 1.48 5.68 0.56 6.13 -1.08 -1.26 -4.82 116.67 123.37 3i9m s ASP 217 Ca 0.06 -1.27 0.28 0.00 -0.52 0.00 0.00 52.55 51.09 3i9m s ASP 217 Cb -0.15 -2.00 1.47 0.00 -1.46 0.00 0.00 42.92 40.78 3i9m s ASP 217 CO 0.01 -0.47 1.95 0.11 0.52 0.00 0.00 175.17 177.28 3i9m h LYS 218 N 8.43 0.00 -0.02 4.34 1.57 -1.96 -0.96 116.57 127.97 3i9m h LYS 218 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3i9m h LYS 218 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3i9m h LYS 218 CO 0.72 0.00 -0.09 -0.25 -0.57 0.00 0.00 179.45 179.25 3i9m n ASP 219 N -4.01 2.08 -4.65 0.86 10.43 -1.26 -3.25 116.55 116.74 3i9m n ASP 219 Ca 0.10 -1.62 -0.29 0.00 2.57 0.00 0.00 54.79 55.55 3i9m n ASP 219 Cb 0.67 0.08 0.18 0.00 1.84 0.00 0.00 41.12 43.88 3i9m n ASP 219 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3i9m s SER 220 N -2.12 2.60 0.26 -2.24 1.04 -0.36 -4.72 113.70 108.15 3i9m s SER 220 Ca 0.30 1.42 -0.03 0.00 0.48 0.00 0.00 55.95 58.12 3i9m s SER 220 Cb 0.20 -2.10 0.32 0.00 0.10 0.00 0.00 66.02 64.54 3i9m s SER 220 CO 0.38 -3.18 1.77 0.74 0.98 0.00 0.00 173.24 173.92 3i9m h THR 221 N -1.92 1.24 -0.30 2.02 2.02 -1.91 0.19 112.91 114.25 3i9m h THR 221 Ca -0.53 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 65.71 3i9m h THR 221 Cb 1.31 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 3i9m h THR 221 CO 0.54 0.35 0.14 0.15 0.37 0.00 0.00 175.52 177.06 3i9m h PHE 222 N 0.80 0.25 -0.03 3.16 3.57 -1.89 0.13 116.94 122.93 3i9m h PHE 222 Ca 0.16 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 3i9m h PHE 222 Cb 0.41 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3i9m h PHE 222 CO 0.02 0.13 -0.67 0.78 -2.23 0.00 0.00 178.31 176.35 3i9m h GLY 223 N 0.29 0.16 0.89 2.40 0.00 -1.54 -1.37 103.07 103.89 3i9m h GLY 223 Ca 0.13 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 3i9m h GLY 223 CO -0.10 0.19 -1.32 -1.14 0.00 0.00 0.00 176.54 174.17 3i9m n SER 224 N -3.80 0.77 0.04 0.19 3.41 0.62 -4.54 113.62 110.32 3i9m n SER 224 Ca -0.02 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3i9m n SER 224 Cb 0.66 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 3i9m n SER 224 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3i9m n VAL 225 N -2.76 0.95 -0.06 -3.33 0.31 0.02 -4.71 118.33 108.76 3i9m n VAL 225 Ca -0.06 0.31 -0.09 0.00 -0.01 0.00 0.00 64.34 64.49 3i9m n VAL 225 Cb 0.72 -1.44 -0.02 0.00 -0.91 0.00 0.00 33.84 32.19 3i9m n VAL 225 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i9m h GLU 226 N 0.00 0.25 -0.92 5.55 3.07 -1.42 -2.39 114.58 118.73 3i9m h GLU 226 Ca 0.00 -0.02 0.10 0.00 -0.50 0.00 0.00 59.36 58.95 3i9m h GLU 226 Cb 0.00 -0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 27.78 3i9m h GLU 226 CO 0.00 0.17 0.56 0.28 -1.40 0.00 0.00 179.01 178.61 3i9m h VAL 227 N 0.26 0.94 -0.01 3.13 2.07 -1.49 -1.36 116.25 119.78 3i9m h VAL 227 Ca 0.10 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3i9m h VAL 227 Cb 0.02 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 3i9m h VAL 227 CO -0.06 0.17 -0.03 1.41 0.02 0.00 0.00 177.57 179.07 3i9m n HIS 228 N -4.67 0.00 0.39 1.57 8.25 -1.01 -3.62 115.22 116.13 3i9m n HIS 228 Ca 0.16 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.66 3i9m n HIS 228 Cb 0.30 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.39 3i9m n HIS 228 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i9m n ASN 229 N -0.56 1.66 -4.77 0.41 3.02 -0.54 -4.96 115.26 109.52 3i9m n ASN 229 Ca 0.19 -1.33 -0.41 0.00 -0.03 0.00 0.00 54.58 53.00 3i9m n ASN 229 Cb 0.25 0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 3i9m n ASN 229 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i9m s LEU 230 N -0.92 4.35 -0.40 3.41 1.43 -1.05 -3.22 118.68 122.28 3i9m s LEU 230 Ca 0.10 2.94 -0.16 0.00 -1.03 0.00 0.00 54.13 55.98 3i9m s LEU 230 Cb 0.08 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.65 3i9m s LEU 230 CO 0.14 -0.80 0.40 -1.10 0.23 0.00 0.00 176.35 175.21 3i9m s GLN 231 N -1.67 3.20 0.62 1.70 -1.52 -1.26 -4.95 119.66 115.78 3i9m s GLN 231 Ca 0.54 -0.71 0.31 0.00 -1.95 0.00 0.00 55.36 53.55 3i9m s GLN 231 Cb -0.45 -3.93 1.72 0.00 -0.22 0.00 0.00 33.01 30.13 3i9m s GLN 231 CO 0.57 -0.75 2.05 -1.35 -0.25 0.00 0.00 175.29 175.57 3i9m h PRO 232 N 8.64 0.00 0.00 2.91 0.11 -1.85 0.65 132.00 142.46 3i9m h PRO 232 Ca -0.27 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 3i9m h PRO 232 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3i9m h PRO 232 CO 0.76 0.00 -0.28 0.93 -0.21 0.00 0.00 178.00 179.20 3i9m h GLU 233 N 0.00 0.00 0.00 1.05 3.07 -1.92 -3.33 114.58 113.44 3i9m h GLU 233 Ca 0.07 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.73 3i9m h GLU 233 Cb 0.59 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.46 3i9m h GLU 233 CO -0.00 0.28 -1.78 1.63 -1.40 0.00 0.00 179.01 177.74 3i9m n LYS 234 N -3.93 0.97 -3.33 2.33 5.02 0.01 -4.99 118.16 114.25 3i9m n LYS 234 Ca -0.02 0.05 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 3i9m n LYS 234 Cb 0.35 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 3i9m n LYS 234 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9m s VAL 235 N -2.27 5.13 -0.08 -0.18 1.01 -0.01 -0.82 120.40 123.17 3i9m s VAL 235 Ca -0.14 0.64 -0.25 0.00 0.00 0.00 0.00 61.98 62.23 3i9m s VAL 235 Cb 0.04 -3.76 -0.28 0.00 0.00 0.00 0.00 36.38 32.38 3i9m s VAL 235 CO 0.36 0.10 0.88 -0.61 0.00 0.00 0.00 175.10 175.83 3i9m h GLN 236 N 8.15 0.17 -3.60 2.72 4.15 -0.39 -3.44 115.11 122.87 3i9m h GLN 236 Ca -0.30 -0.25 -0.20 0.00 0.77 0.00 0.00 58.65 58.67 3i9m h GLN 236 Cb 1.15 0.09 -0.26 0.00 0.21 0.00 0.00 27.48 28.68 3i9m h GLN 236 CO 0.68 1.08 -0.62 0.99 -1.93 0.00 0.00 178.83 179.03 3i9m s THR 237 N -2.52 0.03 -0.22 2.39 2.01 -0.91 -1.35 115.64 115.06 3i9m s THR 237 Ca -0.16 -0.21 -0.07 0.00 0.31 0.00 0.00 61.69 61.56 3i9m s THR 237 Cb -0.00 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 3i9m s THR 237 CO 0.76 -0.12 0.05 -0.22 -0.69 0.00 0.00 174.62 174.40 3i9m s LEU 238 N -0.35 3.48 -0.23 4.42 2.96 -0.27 -1.11 118.68 127.58 3i9m s LEU 238 Ca -0.04 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3i9m s LEU 238 Cb -0.03 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 3i9m s LEU 238 CO 0.00 0.04 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.34 3i9m s GLU 239 N 1.15 3.34 -0.05 1.98 2.12 0.32 -1.42 118.70 126.15 3i9m s GLU 239 Ca 0.04 -0.65 -0.15 0.00 0.36 0.00 0.00 54.97 54.57 3i9m s GLU 239 Cb -0.14 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 3i9m s GLU 239 CO 0.03 -0.22 0.38 0.00 -0.54 0.00 0.00 175.26 174.91 3i9m s ALA 240 N 1.48 3.67 -0.32 6.30 0.00 0.34 -0.76 121.76 132.47 3i9m s ALA 240 Ca 0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 3i9m s ALA 240 Cb -0.15 -2.39 0.03 0.00 0.00 0.00 0.00 23.12 20.61 3i9m s ALA 240 CO -0.03 0.37 0.09 -1.58 0.00 0.00 0.00 175.76 174.61 3i9m s TRP 241 N -0.64 3.20 -0.40 0.00 0.51 0.13 -0.92 118.94 120.82 3i9m s TRP 241 Ca 0.22 -1.25 -0.19 0.00 -2.12 0.00 0.00 56.10 52.77 3i9m s TRP 241 Cb -0.16 -2.25 0.01 0.00 -0.81 0.00 0.00 33.47 30.26 3i9m s TRP 241 CO 0.11 -0.67 0.54 0.08 -0.51 0.00 0.00 176.95 176.50 3i9m s VAL 242 N 1.44 4.97 -0.31 4.03 1.01 -0.06 -1.48 120.40 130.00 3i9m s VAL 242 Ca 0.00 0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.82 3i9m s VAL 242 Cb -0.18 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.13 3i9m s VAL 242 CO 0.02 -0.41 0.77 -0.63 0.00 0.00 0.00 175.10 174.86 3i9m s ILE 243 N 2.48 4.80 0.08 2.22 -1.09 -0.08 -0.55 121.20 129.05 3i9m s ILE 243 Ca 0.18 1.13 -0.30 0.00 -2.23 0.00 0.00 60.65 59.44 3i9m s ILE 243 Cb -0.15 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 3i9m s ILE 243 CO 0.15 -0.25 1.07 -1.00 -1.23 0.00 0.00 174.94 173.68 3i9m s HIS 244 N 2.93 3.60 -0.46 3.97 3.76 -0.15 -0.23 115.29 128.71 3i9m s HIS 244 Ca 0.32 1.57 0.23 0.00 -0.15 0.00 0.00 55.06 57.03 3i9m s HIS 244 Cb -0.14 -3.23 0.03 0.00 1.11 0.00 0.00 32.58 30.35 3i9m s HIS 244 CO 0.13 -0.49 1.01 0.41 -0.85 0.00 0.00 174.74 174.95 3i9m n GLY 245 N 2.70 -1.27 3.66 -2.22 0.00 -1.26 -4.64 105.19 102.16 3i9m n GLY 245 Ca 0.06 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 3i9m n GLY 245 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i9m s GLY 246 N -3.92 2.07 0.28 -0.02 0.00 -1.26 -5.03 107.32 99.44 3i9m s GLY 246 Ca 0.02 -0.37 -0.28 0.00 0.00 0.00 0.00 44.72 44.09 3i9m s GLY 246 CO 0.80 1.13 1.02 -2.13 0.00 0.00 0.00 173.10 173.92 3i9m n ARG 247 N 4.83 1.34 0.00 2.90 0.63 -1.26 -4.73 116.66 120.37 3i9m n ARG 247 Ca -0.04 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 3i9m n ARG 247 Cb 0.50 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.57 3i9m n ARG 247 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3i9m n GLU 248 N 0.78 0.00 -3.23 -0.14 1.02 -1.26 -4.66 120.64 113.15 3i9m n GLU 248 Ca 0.10 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 3i9m n GLU 248 Cb 0.32 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.66 3i9m n GLU 248 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3i9m s ASP 249 N -4.00 6.22 0.20 1.62 -4.77 -1.26 -4.92 116.67 109.75 3i9m s ASP 249 Ca 0.00 -0.81 0.01 0.00 -3.30 0.00 0.00 52.55 48.45 3i9m s ASP 249 Cb 0.00 -2.26 -0.00 0.00 -1.09 0.00 0.00 42.92 39.57 3i9m s ASP 249 CO 0.00 -0.75 0.03 -0.24 0.70 0.00 0.00 175.17 174.91 3i9m n SER 250 N 5.88 1.96 -4.81 2.11 2.88 -1.26 -5.15 113.62 115.23 3i9m n SER 250 Ca -0.07 -1.94 -0.30 0.00 -1.33 0.00 0.00 58.87 55.23 3i9m n SER 250 Cb 0.46 0.27 0.07 0.00 -0.75 0.00 0.00 64.21 64.27 3i9m n SER 250 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3i9m s ARG 251 N -2.73 2.45 -0.79 -1.46 3.00 -1.26 -4.94 118.95 113.21 3i9m s ARG 251 Ca 0.04 0.76 -0.26 0.00 0.00 0.00 0.00 55.73 56.27 3i9m s ARG 251 Cb 0.00 -1.95 -0.00 0.00 0.00 0.00 0.00 34.95 33.00 3i9m s ARG 251 CO 0.03 -1.40 1.65 0.34 0.00 0.00 0.00 175.30 175.92 3i9m s ASP 252 N -3.87 5.71 0.00 0.23 -1.08 -1.26 -4.83 116.67 111.57 3i9m s ASP 252 Ca 0.60 -0.43 0.24 0.00 -0.52 0.00 0.00 52.55 52.44 3i9m s ASP 252 Cb -0.14 -2.55 1.14 0.00 -1.46 0.00 0.00 42.92 39.90 3i9m s ASP 252 CO 0.54 -2.16 1.79 0.18 0.52 0.00 0.00 175.17 176.05 3i9m n LEU 253 N 11.41 0.00 0.00 -1.34 4.77 -1.26 -1.75 117.00 128.83 3i9m n LEU 253 Ca 0.23 0.39 0.06 0.00 -0.03 0.00 0.00 56.01 56.66 3i9m n LEU 253 Cb 0.50 -0.39 0.30 0.00 -2.33 0.00 0.00 43.42 41.50 3i9m n LEU 253 CO 0.68 -0.07 0.70 0.00 -1.33 0.00 0.00 177.39 177.37 3i9m n GLN 255 N -1.46 1.45 -1.73 0.00 1.13 -0.72 -4.61 117.38 111.44 3i9m n GLN 255 Ca 0.04 -1.06 -0.42 0.00 -1.94 0.00 0.00 57.00 53.62 3i9m n GLN 255 Cb 0.15 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.01 3i9m n GLN 255 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3i9m n ASP 256 N 0.14 3.44 -0.35 1.08 -0.08 -0.85 -4.79 116.55 115.14 3i9m n ASP 256 Ca 0.13 1.18 0.24 0.00 -1.51 0.00 0.00 54.79 54.83 3i9m n ASP 256 Cb 0.44 -1.55 0.49 0.00 2.34 0.00 0.00 41.12 42.85 3i9m n ASP 256 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3i9m h PRO 257 N 3.84 0.35 0.00 -0.67 0.11 -1.94 -0.70 132.00 132.99 3i9m h PRO 257 Ca -0.47 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 3i9m h PRO 257 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3i9m h PRO 257 CO 0.72 0.23 -0.61 1.79 -0.21 0.00 0.00 178.00 179.92 3i9m h THR 258 N 0.36 1.42 -0.32 -1.15 1.35 -1.89 -0.89 112.91 111.79 3i9m h THR 258 Ca 0.69 -2.11 -0.11 0.00 -0.55 0.00 0.00 66.41 64.33 3i9m h THR 258 Cb 1.68 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 70.23 3i9m h THR 258 CO -0.45 0.60 -0.24 0.40 -0.25 0.00 0.00 175.52 175.57 3i9m h ILE 259 N 0.00 1.29 -0.65 6.82 1.08 -1.48 -0.78 117.51 123.80 3i9m h ILE 259 Ca -0.01 -1.39 0.03 0.00 -0.39 0.00 0.00 64.86 63.10 3i9m h ILE 259 Cb 1.09 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 3i9m h ILE 259 CO 0.08 0.45 0.43 0.11 -0.69 0.00 0.00 178.15 178.53 3i9m h LYS 260 N 0.49 0.78 -0.12 2.37 1.79 -1.09 -0.07 116.57 120.72 3i9m h LYS 260 Ca 0.06 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3i9m h LYS 260 Cb 0.80 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 3i9m h LYS 260 CO 0.06 0.51 0.02 1.49 -1.08 0.00 0.00 179.45 180.46 3i9m h GLU 261 N 0.80 0.20 -0.72 3.15 4.81 -0.90 -0.63 114.58 121.29 3i9m h GLU 261 Ca 0.25 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.50 3i9m h GLU 261 Cb 0.02 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 3i9m h GLU 261 CO -0.07 0.40 0.40 1.25 -0.73 0.00 0.00 179.01 180.26 3i9m h LEU 262 N -0.02 0.59 -0.63 1.64 5.85 -0.86 0.07 115.31 121.95 3i9m h LEU 262 Ca 0.04 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3i9m h LEU 262 Cb 0.29 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3i9m h LEU 262 CO 0.00 0.37 0.36 -0.08 -0.34 0.00 0.00 178.44 178.76 3i9m h GLU 263 N 0.73 0.87 -0.36 1.25 4.81 -0.79 -0.71 114.58 120.37 3i9m h GLU 263 Ca 0.33 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3i9m h GLU 263 Cb 0.23 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3i9m h GLU 263 CO -0.20 0.64 0.14 1.03 -0.73 0.00 0.00 179.01 179.90 3i9m h SER 264 N 0.86 0.50 0.07 1.04 0.87 -0.34 0.30 113.55 116.86 3i9m h SER 264 Ca 0.23 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3i9m h SER 264 Cb 0.01 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3i9m h SER 264 CO -0.04 0.53 -0.03 0.40 -0.53 0.00 0.00 176.83 177.15 3i9m h ILE 265 N 0.43 0.98 -0.17 2.23 2.04 -0.61 -0.15 117.51 122.28 3i9m h ILE 265 Ca 0.12 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3i9m h ILE 265 Cb 0.19 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3i9m h ILE 265 CO -0.01 0.05 0.09 0.40 0.00 0.00 0.00 178.15 178.68 3i9m h ILE 266 N -0.18 1.10 -0.89 -0.67 1.08 -1.08 -2.36 117.51 114.51 3i9m h ILE 266 Ca -0.01 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 3i9m h ILE 266 Cb 0.15 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 3i9m h ILE 266 CO 0.02 0.10 0.51 0.28 -0.69 0.00 0.00 178.15 178.36 3i9m h SER 267 N 0.17 1.09 0.63 1.72 0.02 -0.79 0.07 113.55 116.47 3i9m h SER 267 Ca 0.06 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3i9m h SER 267 Cb 0.07 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.33 3i9m h SER 267 CO -0.01 0.86 0.00 0.29 -1.14 0.00 0.00 176.83 176.83 3i9m n LYS 268 N -4.34 0.08 -0.08 3.45 5.02 -0.08 -1.03 118.16 121.18 3i9m n LYS 268 Ca 0.10 0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.80 3i9m n LYS 268 Cb 0.08 -1.65 0.38 0.00 -0.02 0.00 0.00 35.03 33.82 3i9m n LYS 268 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i9m n ARG 269 N -1.81 1.76 -3.20 1.97 1.74 -0.01 -4.93 116.66 112.18 3i9m n ARG 269 Ca 0.03 -1.14 -0.15 0.00 -0.77 0.00 0.00 57.85 55.82 3i9m n ARG 269 Cb 0.21 -1.41 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 3i9m n ARG 269 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i9m n ASN 270 N 0.36 -4.78 -4.20 0.55 3.02 -0.20 -4.69 115.26 105.32 3i9m n ASN 270 Ca 0.17 -0.35 -0.26 0.00 -0.03 0.00 0.00 54.58 54.11 3i9m n ASN 270 Cb 0.35 -3.43 -0.15 0.00 -0.61 0.00 0.00 39.78 35.94 3i9m n ASN 270 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i9m s ILE 271 N -3.21 1.53 0.48 2.41 1.01 -1.05 -4.92 121.20 117.45 3i9m s ILE 271 Ca 0.37 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 3i9m s ILE 271 Cb -0.16 -1.29 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 3i9m s ILE 271 CO 0.47 0.37 0.95 -1.10 0.00 0.00 0.00 174.94 175.63 3i9m s GLN 272 N -0.62 4.01 -0.05 2.79 -0.21 -0.46 -3.24 119.66 121.89 3i9m s GLN 272 Ca 0.07 0.95 0.06 0.00 0.02 0.00 0.00 55.36 56.46 3i9m s GLN 272 Cb -0.08 -2.17 -0.01 0.00 1.00 0.00 0.00 33.01 31.75 3i9m s GLN 272 CO -0.00 -0.18 -0.24 0.12 -2.12 0.00 0.00 175.29 172.87 3i9m s PHE 273 N -2.48 2.26 0.13 0.91 5.36 -1.26 -1.11 117.98 121.80 3i9m s PHE 273 Ca 0.59 -0.61 0.06 0.00 -0.96 0.00 0.00 56.93 56.01 3i9m s PHE 273 Cb -0.10 -1.48 -0.04 0.00 -0.34 0.00 0.00 43.02 41.06 3i9m s PHE 273 CO 0.26 -0.16 -0.13 0.45 -1.46 0.00 0.00 175.22 174.18 3i9m s SER 274 N -0.24 1.98 -0.05 6.13 0.15 -0.51 -4.98 113.70 116.18 3i9m s SER 274 Ca -0.00 -0.87 -0.07 0.00 0.70 0.00 0.00 55.95 55.71 3i9m s SER 274 Cb -0.12 -0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.14 3i9m s SER 274 CO 0.02 -0.19 0.19 0.00 1.20 0.00 0.00 173.24 174.47 3i9m s LYS 276 N -0.31 0.72 0.07 0.00 1.02 -0.10 -4.94 119.74 116.21 3i9m s LYS 276 Ca -0.04 -0.53 -0.24 0.00 0.02 0.00 0.00 55.97 55.18 3i9m s LYS 276 Cb -0.03 -0.67 -0.06 0.00 -0.52 0.00 0.00 37.83 36.54 3i9m s LYS 276 CO 0.01 0.17 0.72 -0.80 -0.92 0.00 0.00 175.35 174.53 3i9m s ASN 277 N -0.75 7.21 -0.48 2.83 0.01 -1.26 -0.88 114.94 121.62 3i9m s ASN 277 Ca 0.00 1.44 -0.07 0.00 -0.71 0.00 0.00 52.86 53.52 3i9m s ASN 277 Cb -0.06 -2.45 0.12 0.00 0.41 0.00 0.00 41.25 39.27 3i9m s ASN 277 CO 0.00 0.10 0.33 -0.63 -1.51 0.00 0.00 177.10 175.40 3i9m s ILE 278 N -0.46 3.97 0.18 0.60 1.01 0.28 -4.87 121.20 121.91 3i9m s ILE 278 Ca 0.36 -1.97 -0.07 0.00 0.00 0.00 0.00 60.65 58.97 3i9m s ILE 278 Cb -0.21 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 3i9m s ILE 278 CO 0.23 -0.77 1.53 1.88 0.00 0.00 0.00 174.94 177.80 3i9m h TYR 279 N 8.22 0.93 -3.05 3.97 0.05 -1.92 -0.38 116.97 124.78 3i9m h TYR 279 Ca -0.16 -0.27 -0.57 0.00 0.05 0.00 0.00 58.73 57.77 3i9m h TYR 279 Cb 1.06 -0.20 -0.40 0.00 1.01 0.00 0.00 36.73 38.20 3i9m h TYR 279 CO 0.63 1.04 -0.76 1.03 -1.05 0.00 0.00 178.16 179.05 3i9m s ARG 280 N -4.32 0.65 0.39 4.88 0.52 -1.26 -4.54 118.95 115.27 3i9m s ARG 280 Ca -0.09 -1.06 0.11 0.00 -0.52 0.00 0.00 55.73 54.17 3i9m s ARG 280 Cb 0.12 -1.83 0.90 0.00 0.52 0.00 0.00 34.95 34.66 3i9m s ARG 280 CO 0.86 -1.02 1.94 -1.35 0.02 0.00 0.00 175.30 175.75 3i9m h PRO 281 N 8.00 0.56 -0.60 3.54 0.11 -1.82 -0.56 132.00 141.22 3i9m h PRO 281 Ca -0.13 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 3i9m h PRO 281 Cb 1.00 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 3i9m h PRO 281 CO 0.46 0.37 0.32 0.38 -0.21 0.00 0.00 178.00 179.32 3i9m h ASP 282 N 0.57 0.76 -0.27 -2.05 2.03 -1.97 -1.39 116.42 114.11 3i9m h ASP 282 Ca 0.34 -0.10 -0.16 0.00 -0.73 0.00 0.00 57.03 56.38 3i9m h ASP 282 Cb 0.56 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.86 3i9m h ASP 282 CO -0.12 0.64 -0.44 0.50 -1.03 0.00 0.00 179.24 178.79 3i9m h LYS 283 N 0.82 0.83 -0.01 4.15 3.64 -1.69 -1.91 116.57 122.39 3i9m h LYS 283 Ca 0.21 -0.46 0.03 0.00 -1.27 0.00 0.00 60.65 59.16 3i9m h LYS 283 Cb 0.06 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3i9m h LYS 283 CO -0.03 1.10 -0.25 0.35 -2.27 0.00 0.00 179.45 178.34 3i9m h PHE 284 N 0.67 -0.68 -0.59 1.91 3.57 -0.99 0.37 116.94 121.19 3i9m h PHE 284 Ca 0.04 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3i9m h PHE 284 Cb 1.02 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 40.04 3i9m h PHE 284 CO 0.06 -0.34 0.20 -0.07 -2.23 0.00 0.00 178.31 175.92 3i9m h LEU 285 N -0.39 0.81 -0.83 0.59 3.38 -1.12 -0.66 115.31 117.09 3i9m h LEU 285 Ca 0.07 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3i9m h LEU 285 Cb 0.48 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3i9m h LEU 285 CO -0.23 0.75 0.55 -0.61 0.09 0.00 0.00 178.44 178.99 3i9m h GLN 286 N 0.86 1.08 -0.13 1.13 5.75 -1.00 -1.00 115.11 121.80 3i9m h GLN 286 Ca 0.20 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.52 3i9m h GLN 286 Cb 0.22 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3i9m h GLN 286 CO -0.01 0.71 -0.43 0.00 -2.65 0.00 0.00 178.83 176.46 3i9m h VAL 288 N 0.25 1.27 -0.26 0.00 2.07 -0.69 -1.42 116.25 117.47 3i9m h VAL 288 Ca 0.02 -1.26 -0.12 0.00 0.82 0.00 0.00 66.70 66.16 3i9m h VAL 288 Cb 0.86 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3i9m h VAL 288 CO 0.07 0.44 -0.29 0.11 0.02 0.00 0.00 177.57 177.92 3i9m h LYS 289 N 0.83 0.65 -2.41 1.57 1.57 -0.99 -3.39 116.57 114.41 3i9m h LYS 289 Ca 0.13 -0.36 -0.59 0.00 -1.87 0.00 0.00 60.65 57.96 3i9m h LYS 289 Cb 0.68 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 32.61 3i9m h LYS 289 CO 0.05 0.96 -0.85 0.09 -0.57 0.00 0.00 179.45 179.13 3i9m n ASN 290 N -4.29 1.19 -0.36 0.86 3.02 0.12 -5.06 115.26 110.75 3i9m n ASN 290 Ca -0.04 -2.83 0.26 0.00 -0.03 0.00 0.00 54.58 51.94 3i9m n ASN 290 Cb 0.47 -0.64 0.53 0.00 -0.61 0.00 0.00 39.78 39.53 3i9m n ASN 290 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3i9m h PRO 291 N 4.92 0.31 0.00 3.52 0.13 -1.45 -3.34 132.00 136.08 3i9m h PRO 291 Ca 0.18 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3i9m h PRO 291 Cb 0.82 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3i9m h PRO 291 CO 0.55 0.20 0.00 -0.85 -0.23 0.00 0.00 178.00 177.68 3i9m n GLU 292 N -4.72 0.00 -0.33 0.86 0.28 -1.26 -4.80 120.64 110.67 3i9m n GLU 292 Ca 0.29 0.00 0.20 0.00 -0.16 0.00 0.00 57.16 57.50 3i9m n GLU 292 Cb 1.02 0.00 0.42 0.00 1.43 0.00 0.00 31.44 34.31 3i9m n GLU 292 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 3i9m h ASP 293 N 0.00 0.42 -0.92 -1.84 3.58 -1.96 -3.44 116.42 112.26 3i9m h ASP 293 Ca 0.00 0.19 -0.52 0.00 0.42 0.00 0.00 57.03 57.11 3i9m h ASP 293 Cb 0.00 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3i9m h ASP 293 CO 0.00 -0.11 -0.25 -0.94 -2.88 0.00 0.00 179.24 175.06 3i9m s SER 294 N -4.99 4.94 0.00 2.28 1.04 -1.25 -4.95 113.70 110.77 3i9m s SER 294 Ca -0.11 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.37 3i9m s SER 294 Cb 0.29 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3i9m s SER 294 CO 0.79 -1.05 0.13 -1.54 0.98 0.00 0.00 173.24 172.55 3i9m n SER 295 N -1.86 0.00 -0.41 7.02 3.41 -1.26 -5.00 113.62 115.51 3i9m n SER 295 Ca 0.06 -0.51 0.05 0.00 -0.26 0.00 0.00 58.87 58.21 3i9m n SER 295 Cb 0.62 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.62 3i9m n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88