#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9n n TRP 46 N 0.00 0.14 -4.22 -0.14 2.14 -1.26 -4.90 117.44 109.20 3i9n n TRP 46 Ca 0.00 -0.07 -0.19 0.00 2.07 0.00 0.00 57.50 59.32 3i9n n TRP 46 Cb 0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.38 3i9n n TRP 46 CO 0.00 0.00 0.00 -0.98 2.07 0.00 0.00 177.69 178.78 3i9n s ARG 47 N -1.86 0.84 0.04 -2.67 1.70 -1.26 -5.15 118.95 110.58 3i9n s ARG 47 Ca 0.33 -0.89 -0.01 0.00 -0.47 0.00 0.00 55.73 54.70 3i9n s ARG 47 Cb 0.20 -0.84 -0.04 0.00 -0.57 0.00 0.00 34.95 33.70 3i9n s ARG 47 CO 0.31 0.19 0.18 -0.65 -1.08 0.00 0.00 175.30 174.25 3i9n s GLN 48 N -1.55 3.36 0.16 3.89 -1.52 -1.26 -5.03 119.66 117.71 3i9n s GLN 48 Ca -0.01 -0.43 -0.11 0.00 -1.95 0.00 0.00 55.36 52.86 3i9n s GLN 48 Cb -0.09 -3.02 0.04 0.00 -0.22 0.00 0.00 33.01 29.72 3i9n s GLN 48 CO 0.02 0.63 1.63 1.15 -0.25 0.00 0.00 175.29 178.47 3i9n h THR 49 N 2.43 1.26 -1.72 -0.19 2.02 -1.96 -3.47 112.91 111.29 3i9n h THR 49 Ca -0.47 -1.05 -0.61 0.00 0.77 0.00 0.00 66.41 65.06 3i9n h THR 49 Cb 1.17 0.85 -0.12 0.00 -1.74 0.00 0.00 68.15 68.31 3i9n h THR 49 CO 0.72 0.38 -0.59 0.26 0.37 0.00 0.00 175.52 176.65 3i9n s TRP 50 N -5.10 2.52 -0.41 3.16 0.52 -1.26 -5.05 118.94 113.32 3i9n s TRP 50 Ca -0.12 -0.60 0.23 0.00 0.02 0.00 0.00 56.10 55.62 3i9n s TRP 50 Cb 0.12 -1.73 0.23 0.00 -1.15 0.00 0.00 33.47 30.95 3i9n s TRP 50 CO 0.83 0.42 1.34 0.77 0.02 0.00 0.00 176.95 180.33 3i9n h SER 51 N 1.75 0.00 -2.59 2.95 0.02 -1.91 -3.44 113.55 110.33 3i9n h SER 51 Ca -0.43 -0.03 -0.47 0.00 -0.84 0.00 0.00 61.79 60.02 3i9n h SER 51 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3i9n h SER 51 CO 0.76 0.02 -0.26 -0.83 -1.14 0.00 0.00 176.83 175.37 3i9n s GLY 52 N -4.14 1.31 0.61 -3.77 0.00 0.68 -4.86 107.32 97.15 3i9n s GLY 52 Ca 0.04 -1.03 -0.19 0.00 0.00 0.00 0.00 44.72 43.54 3i9n s GLY 52 CO 0.72 -0.99 1.28 -4.14 0.00 0.00 0.00 173.10 169.98 3i9n s PRO 53 N -4.22 2.80 0.18 2.90 0.02 -1.26 -0.58 135.00 134.84 3i9n s PRO 53 Ca 0.39 2.04 -0.03 0.00 0.02 0.00 0.00 61.00 63.41 3i9n s PRO 53 Cb -0.09 -1.96 0.04 0.00 0.02 0.00 0.00 34.50 32.50 3i9n s PRO 53 CO 0.34 -1.40 0.24 0.41 -0.33 0.00 0.00 177.00 176.27 3i9n n GLY 54 N 0.76 -1.14 3.70 0.52 0.00 -1.22 -2.22 105.19 105.60 3i9n n GLY 54 Ca 0.14 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 3i9n n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i9n n THR 55 N -2.32 2.78 -2.06 2.61 -1.04 0.37 -4.71 114.28 109.92 3i9n n THR 55 Ca 0.03 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.13 3i9n n THR 55 Cb 0.11 -1.56 -0.02 0.00 -1.82 0.00 0.00 70.33 67.03 3i9n n THR 55 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3i9n s THR 56 N -1.23 2.61 0.36 12.58 2.01 -0.30 -4.72 115.64 126.95 3i9n s THR 56 Ca 0.63 0.60 -0.28 0.00 0.31 0.00 0.00 61.69 62.95 3i9n s THR 56 Cb -0.49 -3.38 -0.12 0.00 0.01 0.00 0.00 72.50 68.52 3i9n s THR 56 CO 0.56 0.14 1.41 2.29 -0.69 0.00 0.00 174.62 178.33 3i9n n LYS 57 N 0.90 2.44 -2.59 4.92 2.85 -1.26 -2.49 118.16 122.93 3i9n n LYS 57 Ca 0.01 0.85 -0.17 0.00 -1.05 0.00 0.00 58.31 57.96 3i9n n LYS 57 Cb 0.41 -2.52 0.01 0.00 -0.65 0.00 0.00 35.03 32.28 3i9n n LYS 57 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3i9n n ARG 58 N 0.55 -2.60 0.14 -1.58 1.74 -1.26 -4.88 116.66 108.77 3i9n n ARG 58 Ca 0.03 0.73 -0.14 0.00 -0.77 0.00 0.00 57.85 57.70 3i9n n ARG 58 Cb 0.37 -5.13 -0.07 0.00 -1.02 0.00 0.00 32.46 26.62 3i9n n ARG 58 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3i9n h PHE 59 N -0.57 -0.94 -0.22 -1.55 3.57 -1.87 0.24 116.94 115.60 3i9n h PHE 59 Ca -0.39 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.17 3i9n h PHE 59 Cb 1.28 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 40.37 3i9n h PHE 59 CO 0.41 -0.46 -0.02 -1.35 -2.23 0.00 0.00 178.31 174.66 3i9n h PRO 60 N -0.60 0.04 -0.96 6.41 0.11 -1.91 -0.52 132.00 134.57 3i9n h PRO 60 Ca 0.02 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.25 3i9n h PRO 60 Cb 0.61 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.63 3i9n h PRO 60 CO -0.17 0.02 0.61 0.93 -0.21 0.00 0.00 178.00 179.18 3i9n h GLU 61 N 0.04 0.85 -0.01 1.05 3.07 -1.88 -2.12 114.58 115.58 3i9n h GLU 61 Ca 0.11 -0.05 -0.22 0.00 -0.50 0.00 0.00 59.36 58.70 3i9n h GLU 61 Cb 0.15 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3i9n h GLU 61 CO -0.20 0.56 -0.90 1.15 -1.40 0.00 0.00 179.01 178.22 3i9n h THR 62 N 0.88 1.41 -0.09 1.13 2.02 0.64 -1.93 112.91 116.97 3i9n h THR 62 Ca 0.48 -2.42 -0.06 0.00 0.77 0.00 0.00 66.41 65.18 3i9n h THR 62 Cb 0.58 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3i9n h THR 62 CO -0.24 0.72 -0.16 0.58 0.37 0.00 0.00 175.52 176.78 3i9n h VAL 63 N 0.22 1.40 -0.33 3.16 2.07 -0.91 -2.43 116.25 119.43 3i9n h VAL 63 Ca -0.07 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.02 3i9n h VAL 63 Cb 1.53 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 33.42 3i9n h VAL 63 CO 0.15 0.41 0.16 0.25 0.02 0.00 0.00 177.57 178.57 3i9n h LEU 64 N -0.20 0.23 -0.80 2.57 5.85 -1.37 0.52 115.31 122.11 3i9n h LEU 64 Ca 0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3i9n h LEU 64 Cb 0.75 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 3i9n h LEU 64 CO 0.04 0.17 0.50 0.00 -0.34 0.00 0.00 178.44 178.81 3i9n h ALA 65 N 1.18 1.07 -0.31 1.25 0.00 -1.39 0.69 119.26 121.76 3i9n h ALA 65 Ca 0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3i9n h ALA 65 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3i9n h ALA 65 CO -0.10 0.29 -0.23 0.00 0.00 0.00 0.00 179.25 179.20 3i9n h ARG 66 N 0.96 0.59 -0.20 0.00 3.08 -0.85 -0.51 114.38 117.45 3i9n h ARG 66 Ca 0.33 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3i9n h ARG 66 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3i9n h ARG 66 CO -0.14 0.78 0.03 0.00 -1.07 0.00 0.00 179.97 179.57 3i9n h VAL 68 N 0.13 0.74 -0.58 0.00 2.07 -0.54 -1.33 116.25 116.75 3i9n h VAL 68 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 3i9n h VAL 68 Cb 0.32 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3i9n h VAL 68 CO 0.00 0.00 0.30 0.50 0.02 0.00 0.00 177.57 178.39 3i9n h LYS 69 N -0.25 0.55 -0.64 1.57 3.64 -1.06 -1.99 116.57 118.40 3i9n h LYS 69 Ca 0.01 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3i9n h LYS 69 Cb 0.24 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3i9n h LYS 69 CO -0.04 0.36 0.23 -0.92 -2.27 0.00 0.00 179.45 176.81 3i9n h TYR 70 N 0.57 1.00 0.00 1.91 3.20 -0.83 -2.02 116.97 120.80 3i9n h TYR 70 Ca 0.26 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3i9n h TYR 70 Cb 0.17 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3i9n h TYR 70 CO -0.10 0.80 -0.21 1.79 -1.64 0.00 0.00 178.16 178.81 3i9n h THR 71 N 0.91 0.37 0.00 1.81 1.35 -1.08 -0.65 112.91 115.61 3i9n h THR 71 Ca 0.21 -1.43 -0.21 0.00 -0.55 0.00 0.00 66.41 64.43 3i9n h THR 71 Cb 0.25 2.11 -0.03 0.00 -1.73 0.00 0.00 68.15 68.74 3i9n h THR 71 CO -0.01 0.20 -1.03 -0.33 -0.25 0.00 0.00 175.52 174.10 3i9n h GLU 72 N 0.00 0.00 0.21 4.72 5.08 -1.34 -3.36 114.58 119.90 3i9n h GLU 72 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 3i9n h GLU 72 Cb 1.09 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.37 3i9n h GLU 72 CO 0.03 0.88 -1.47 0.82 -1.00 0.00 0.00 179.01 178.27 3i9n h ILE 73 N 0.00 1.19 -3.73 3.13 2.04 -1.14 -3.43 117.51 115.57 3i9n h ILE 73 Ca -0.04 -2.60 -0.67 0.00 1.00 0.00 0.00 64.86 62.54 3i9n h ILE 73 Cb 1.75 2.97 -0.19 0.00 -0.74 0.00 0.00 36.82 40.61 3i9n h ILE 73 CO 0.12 0.80 -0.48 -1.00 0.00 0.00 0.00 178.15 177.59 3i9n s HIS 74 N -2.56 3.23 0.33 1.37 3.76 -0.27 -4.98 115.29 116.16 3i9n s HIS 74 Ca -0.12 -0.17 0.13 0.00 -0.15 0.00 0.00 55.06 54.74 3i9n s HIS 74 Cb 0.04 -2.47 0.60 0.00 1.11 0.00 0.00 32.58 31.86 3i9n s HIS 74 CO 0.89 -0.34 1.75 -1.00 -0.85 0.00 0.00 174.74 175.19 3i9n h PRO 75 N 8.48 0.00 0.00 8.40 0.13 -1.85 -2.19 132.00 144.98 3i9n h PRO 75 Ca -0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 3i9n h PRO 75 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3i9n h PRO 75 CO 0.63 0.46 -0.08 1.05 -0.23 0.00 0.00 178.00 179.82 3i9n h GLU 76 N 0.00 0.00 -0.59 0.86 9.09 -1.93 -2.89 114.58 119.11 3i9n h GLU 76 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i9n h GLU 76 Cb 0.82 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.92 3i9n h GLU 76 CO 0.06 0.08 0.00 -1.33 0.05 0.00 0.00 179.01 177.87 3i9n n MET 77 N -3.16 2.76 0.06 1.06 2.81 -0.82 -4.36 117.12 115.47 3i9n n MET 77 Ca 0.02 -1.86 0.13 0.00 -1.81 0.00 0.00 57.70 54.17 3i9n n MET 77 Cb 0.43 -1.66 0.48 0.00 -0.71 0.00 0.00 33.22 31.76 3i9n n MET 77 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3i9n n ARG 78 N 0.67 0.14 -0.04 0.03 0.63 -1.09 -2.95 116.66 114.05 3i9n n ARG 78 Ca 0.17 0.17 0.09 0.00 -0.92 0.00 0.00 57.85 57.36 3i9n n ARG 78 Cb 0.61 -1.69 0.41 0.00 0.45 0.00 0.00 32.46 32.25 3i9n n ARG 78 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 3i9n n HIS 79 N -1.94 0.12 -3.52 -0.14 1.44 -1.26 -4.90 115.22 105.01 3i9n n HIS 79 Ca 0.05 -0.06 -0.37 0.00 -2.01 0.00 0.00 57.72 55.34 3i9n n HIS 79 Cb 0.35 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.39 3i9n n HIS 79 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3i9n s VAL 80 N -1.88 5.29 -0.44 0.61 1.01 -1.15 -5.05 120.40 118.79 3i9n s VAL 80 Ca 0.27 0.59 -0.25 0.00 0.00 0.00 0.00 61.98 62.60 3i9n s VAL 80 Cb 0.14 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.90 3i9n s VAL 80 CO 0.22 0.40 0.88 -0.62 0.00 0.00 0.00 175.10 175.98 3i9n s ASP 81 N 0.35 6.51 0.25 3.32 3.68 -1.26 -4.93 116.67 124.58 3i9n s ASP 81 Ca 0.18 0.15 0.01 0.00 2.13 0.00 0.00 52.55 55.01 3i9n s ASP 81 Cb -0.13 -2.43 0.30 0.00 -1.45 0.00 0.00 42.92 39.21 3i9n s ASP 81 CO 0.05 -0.97 1.65 0.00 0.13 0.00 0.00 175.17 176.03 3i9n h GLN 83 N 0.44 0.82 -0.92 0.00 5.75 -1.96 -0.07 115.11 119.16 3i9n h GLN 83 Ca 0.05 -0.49 -0.01 0.00 -0.15 0.00 0.00 58.65 58.05 3i9n h GLN 83 Cb 0.80 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.35 3i9n h GLN 83 CO 0.07 1.12 0.56 0.77 -2.65 0.00 0.00 178.83 178.69 3i9n h SER 84 N 0.64 1.11 -0.22 -0.69 0.02 -1.79 -0.88 113.55 111.73 3i9n h SER 84 Ca 0.02 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3i9n h SER 84 Cb 1.09 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 3i9n h SER 84 CO 0.11 0.85 0.05 0.58 -1.14 0.00 0.00 176.83 177.28 3i9n h VAL 85 N 1.27 1.21 -0.51 2.27 2.07 -0.28 -2.52 116.25 119.76 3i9n h VAL 85 Ca 0.33 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3i9n h VAL 85 Cb -0.05 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3i9n h VAL 85 CO -0.06 0.22 0.30 -0.25 0.02 0.00 0.00 177.57 177.79 3i9n h TRP 86 N 0.17 0.56 -0.77 1.57 2.91 -0.82 -1.22 115.95 118.36 3i9n h TRP 86 Ca 0.07 0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.23 3i9n h TRP 86 Cb 0.28 -0.18 -0.05 0.00 -0.51 0.00 0.00 29.16 28.70 3i9n h TRP 86 CO 0.01 0.31 0.50 -0.44 -1.03 0.00 0.00 178.44 177.80 3i9n h ASP 87 N 0.59 0.52 0.92 2.65 3.32 -0.99 0.13 116.42 123.56 3i9n h ASP 87 Ca 0.21 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 57.06 3i9n h ASP 87 Cb 0.04 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3i9n h ASP 87 CO -0.10 0.29 -1.09 0.00 -1.72 0.00 0.00 179.24 176.61 3i9n h ALA 88 N 1.63 0.37 0.47 3.45 0.00 -0.91 -2.18 119.26 122.08 3i9n h ALA 88 Ca 0.37 -0.96 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 3i9n h ALA 88 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i9n h ALA 88 CO -0.13 1.26 -0.23 0.35 0.00 0.00 0.00 179.25 180.50 3i9n h PHE 89 N 0.01 -0.58 -0.39 0.00 3.04 0.13 -2.57 116.94 116.58 3i9n h PHE 89 Ca -0.05 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 61.97 3i9n h PHE 89 Cb 1.81 0.19 -0.09 0.00 2.56 0.00 0.00 35.95 40.42 3i9n h PHE 89 CO 0.01 -0.26 -0.32 0.87 -2.02 0.00 0.00 178.31 176.58 3i9n h LYS 90 N -0.94 -0.25 0.00 1.11 1.57 -0.93 -1.88 116.57 115.26 3i9n h LYS 90 Ca -0.06 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3i9n h LYS 90 Cb 0.59 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3i9n h LYS 90 CO 0.11 -0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.23 3i9n n GLY 91 N -1.42 -0.73 0.15 3.86 0.00 -0.82 -0.58 105.19 105.66 3i9n n GLY 91 Ca 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 3i9n n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9n h ALA 92 N 2.13 0.82 0.00 4.61 0.00 -0.90 -3.41 119.26 122.52 3i9n h ALA 92 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3i9n h ALA 92 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i9n h ALA 92 CO 0.00 0.78 -0.47 1.97 0.00 0.00 0.00 179.25 181.53 3i9n n PHE 93 N -3.81 0.00 -1.98 0.00 1.16 -0.77 -4.82 117.46 107.24 3i9n n PHE 93 Ca -0.02 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.15 3i9n n PHE 93 Cb 0.65 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.50 3i9n n PHE 93 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3i9n s ILE 94 N -0.97 2.52 -0.82 1.97 -1.09 0.25 -1.94 121.20 121.12 3i9n s ILE 94 Ca 0.00 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 3i9n s ILE 94 Cb 0.00 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 3i9n s ILE 94 CO 0.00 0.09 0.00 -1.20 -1.23 0.00 0.00 174.94 172.60 3i9n n SER 95 N 1.68 -4.91 -4.52 3.58 7.64 -1.13 -4.92 113.62 111.04 3i9n n SER 95 Ca 0.04 0.19 -0.26 0.00 1.01 0.00 0.00 58.87 59.86 3i9n n SER 95 Cb 0.40 -3.10 -0.10 0.00 -1.01 0.00 0.00 64.21 60.40 3i9n n SER 95 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3i9n s LYS 96 N -2.37 1.86 -0.11 1.43 1.02 -0.82 -4.06 119.74 116.69 3i9n s LYS 96 Ca 0.00 -1.46 -0.30 0.00 0.02 0.00 0.00 55.97 54.23 3i9n s LYS 96 Cb 0.00 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 3i9n s LYS 96 CO 0.00 0.40 1.31 -1.58 -0.92 0.00 0.00 175.35 174.56 3i9n s HIS 97 N -1.93 2.82 -2.00 3.18 5.65 -1.26 -3.51 115.29 118.24 3i9n s HIS 97 Ca 0.25 0.93 0.03 0.00 0.25 0.00 0.00 55.06 56.52 3i9n s HIS 97 Cb -0.07 -3.55 0.17 0.00 -1.18 0.00 0.00 32.58 27.94 3i9n s HIS 97 CO 0.14 -1.96 0.70 -0.35 -0.65 0.00 0.00 174.74 172.61 3i9n n PRO 98 N 6.21 0.55 -0.10 2.88 -0.04 -1.26 -0.64 135.00 142.59 3i9n n PRO 98 Ca 0.14 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 3i9n n PRO 98 Cb 0.45 -1.08 0.09 0.00 -0.04 0.00 0.00 33.50 32.92 3i9n n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9n n ASP 100 N 0.14 1.57 -4.77 0.00 4.64 0.18 -4.55 116.55 113.77 3i9n n ASP 100 Ca 0.07 -3.11 -0.38 0.00 -1.38 0.00 0.00 54.79 49.99 3i9n n ASP 100 Cb 0.34 -0.42 -0.06 0.00 -1.04 0.00 0.00 41.12 39.95 3i9n n ASP 100 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3i9n s ILE 101 N -2.19 3.97 0.28 5.18 -1.09 -1.05 -4.88 121.20 121.43 3i9n s ILE 101 Ca 0.31 1.71 0.08 0.00 -2.23 0.00 0.00 60.65 60.52 3i9n s ILE 101 Cb 0.30 -3.99 -0.06 0.00 -1.58 0.00 0.00 42.46 37.14 3i9n s ILE 101 CO -0.05 0.21 -0.10 0.42 -1.23 0.00 0.00 174.94 174.19 3i9n s THR 102 N -1.48 1.89 0.25 2.92 -4.23 -1.26 -4.78 115.64 108.94 3i9n s THR 102 Ca 0.49 -2.19 -0.06 0.00 -1.18 0.00 0.00 61.69 58.75 3i9n s THR 102 Cb -0.23 -2.41 0.24 0.00 1.34 0.00 0.00 72.50 71.44 3i9n s THR 102 CO 0.29 -0.34 1.90 -0.08 -0.54 0.00 0.00 174.62 175.85 3i9n h GLU 103 N 2.26 1.27 -0.35 3.99 4.81 -1.97 -1.33 114.58 123.27 3i9n h GLU 103 Ca -0.40 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3i9n h GLU 103 Cb 1.24 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 3i9n h GLU 103 CO 0.66 0.88 0.22 0.93 -0.73 0.00 0.00 179.01 180.97 3i9n h GLU 104 N 1.29 0.47 -0.89 1.92 3.07 -2.00 -0.58 114.58 117.86 3i9n h GLU 104 Ca 0.34 -0.03 0.20 0.00 -0.50 0.00 0.00 59.36 59.36 3i9n h GLU 104 Cb -0.07 -0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 27.68 3i9n h GLU 104 CO -0.06 0.32 0.59 -0.44 -1.40 0.00 0.00 179.01 178.02 3i9n h ASP 105 N 0.48 0.43 -0.23 1.42 3.32 -1.58 -0.78 116.42 119.47 3i9n h ASP 105 Ca 0.13 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3i9n h ASP 105 Cb -0.03 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3i9n h ASP 105 CO -0.03 0.18 0.00 -1.22 -1.72 0.00 0.00 179.24 176.45 3i9n n TYR 106 N -4.52 0.29 -0.20 4.55 4.02 -0.23 -4.33 117.16 116.75 3i9n n TYR 106 Ca 0.19 -0.15 -0.10 0.00 -0.01 0.00 0.00 57.90 57.84 3i9n n TYR 106 Cb 0.67 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.01 3i9n n TYR 106 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3i9n h GLN 107 N 3.34 1.06 -0.14 -0.72 1.08 -1.05 -1.14 115.11 117.54 3i9n h GLN 107 Ca 0.00 -0.37 0.05 0.00 -1.45 0.00 0.00 58.65 56.88 3i9n h GLN 107 Cb 0.73 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 28.03 3i9n h GLN 107 CO 0.00 1.07 -0.19 -1.35 -0.95 0.00 0.00 178.83 177.41 3i9n h PRO 108 N 0.95 -0.23 -0.57 1.46 0.11 -1.79 -2.12 132.00 129.83 3i9n h PRO 108 Ca 0.16 0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.38 3i9n h PRO 108 Cb 0.62 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.71 3i9n h PRO 108 CO 0.04 -0.15 0.12 1.25 -0.21 0.00 0.00 178.00 179.05 3i9n h LEU 109 N -0.23 0.02 -1.15 2.35 5.85 -1.72 -2.20 115.31 118.23 3i9n h LEU 109 Ca 0.10 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3i9n h LEU 109 Cb 0.38 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3i9n h LEU 109 CO -0.27 0.02 0.27 0.24 -0.34 0.00 0.00 178.44 178.37 3i9n h MET 110 N 0.26 0.87 -0.06 1.25 2.86 -1.00 -0.77 114.93 118.34 3i9n h MET 110 Ca 0.29 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 3i9n h MET 110 Cb 0.41 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 3i9n h MET 110 CO -0.37 0.69 -0.08 -0.22 1.06 0.00 0.00 176.91 177.99 3i9n h LYS 111 N 0.87 0.16 0.00 1.72 3.64 -0.96 -2.29 116.57 119.70 3i9n h LYS 111 Ca 0.21 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3i9n h LYS 111 Cb 0.12 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3i9n h LYS 111 CO -0.02 0.64 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.59 3i9n h LEU 112 N -0.30 0.00 -1.48 5.20 3.38 -1.08 -2.52 115.31 118.51 3i9n h LEU 112 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i9n h LEU 112 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3i9n h LEU 112 CO 0.02 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.30 3i9n n GLY 113 N -1.08 0.74 3.52 0.83 0.00 -0.32 -4.96 105.19 103.91 3i9n n GLY 113 Ca -0.03 -0.51 -0.52 0.00 0.00 0.00 0.00 46.02 44.96 3i9n n GLY 113 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i9n n THR 114 N 0.68 0.75 -3.75 2.61 -1.04 -0.87 -4.70 114.28 107.96 3i9n n THR 114 Ca 0.17 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.05 61.87 3i9n n THR 114 Cb 0.41 -0.42 -0.12 0.00 -1.82 0.00 0.00 70.33 68.38 3i9n n THR 114 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3i9n s GLN 115 N -0.30 0.30 -0.13 -2.82 0.74 -1.26 -5.07 119.66 111.11 3i9n s GLN 115 Ca 0.78 0.50 -0.20 0.00 0.05 0.00 0.00 55.36 56.50 3i9n s GLN 115 Cb -1.00 0.04 -0.04 0.00 1.10 0.00 0.00 33.01 33.11 3i9n s GLN 115 CO 0.54 -0.10 0.55 0.99 -0.55 0.00 0.00 175.29 176.72 3i9n s THR 116 N 0.71 5.12 0.16 -0.34 2.01 -1.26 -5.08 115.64 116.97 3i9n s THR 116 Ca -0.05 1.08 0.09 0.00 0.31 0.00 0.00 61.69 63.13 3i9n s THR 116 Cb -0.06 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3i9n s THR 116 CO -0.05 0.26 -0.20 0.68 -0.69 0.00 0.00 174.62 174.62 3i9n s VAL 117 N 1.01 1.95 -0.05 3.82 -7.23 -1.26 -5.08 120.40 113.55 3i9n s VAL 117 Ca 0.28 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.26 3i9n s VAL 117 Cb -0.16 -1.88 -0.08 0.00 0.56 0.00 0.00 36.38 34.82 3i9n s VAL 117 CO 0.12 -0.22 2.05 -2.65 -0.31 0.00 0.00 175.10 174.08 3i9n n PRO 118 N 0.41 2.55 0.21 4.82 -0.02 -1.26 -4.82 135.00 136.88 3i9n n PRO 118 Ca -0.14 0.88 0.07 0.00 -2.02 0.00 0.00 63.50 62.29 3i9n n PRO 118 Cb 0.56 -3.05 0.43 0.00 -0.02 0.00 0.00 33.50 31.42 3i9n n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9n n ASN 120 N -3.67 1.37 -0.79 0.00 6.94 -1.26 -1.20 115.26 116.66 3i9n n ASN 120 Ca -0.01 -1.63 0.02 0.00 -0.02 0.00 0.00 54.58 52.95 3i9n n ASN 120 Cb 0.42 -0.08 0.19 0.00 -2.36 0.00 0.00 39.78 37.96 3i9n n ASN 120 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3i9n n LYS 121 N 0.12 1.80 -3.22 -3.83 5.02 -0.92 -4.65 118.16 112.48 3i9n n LYS 121 Ca 0.16 -3.38 -0.39 0.00 -2.02 0.00 0.00 58.31 52.69 3i9n n LYS 121 Cb 0.29 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 3i9n n LYS 121 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i9n s ILE 122 N -3.37 4.92 -0.22 -0.18 1.01 -1.26 -1.26 121.20 120.83 3i9n s ILE 122 Ca 0.40 1.22 0.02 0.00 0.00 0.00 0.00 60.65 62.29 3i9n s ILE 122 Cb 0.38 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.97 3i9n s ILE 122 CO -0.05 0.42 -0.15 -0.22 0.00 0.00 0.00 174.94 174.94 3i9n s LEU 123 N -0.22 2.81 0.53 2.97 2.96 -0.25 -2.52 118.68 124.96 3i9n s LEU 123 Ca 0.31 -0.99 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 3i9n s LEU 123 Cb -0.18 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.00 3i9n s LEU 123 CO 0.17 -0.10 0.75 -0.76 -1.32 0.00 0.00 176.35 175.10 3i9n s LEU 124 N 1.21 3.37 0.10 -0.68 1.43 0.13 -4.12 118.68 120.12 3i9n s LEU 124 Ca -0.01 0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 52.95 3i9n s LEU 124 Cb -0.16 -2.96 0.06 0.00 0.03 0.00 0.00 46.19 43.15 3i9n s LEU 124 CO -0.09 -1.03 0.54 -1.66 0.23 0.00 0.00 176.35 174.35 3i9n s TRP 125 N -2.72 -0.44 -0.13 0.29 1.48 -1.26 -1.30 118.94 114.85 3i9n s TRP 125 Ca 0.55 0.34 -0.04 0.00 -1.06 0.00 0.00 56.10 55.89 3i9n s TRP 125 Cb -0.10 0.42 0.06 0.00 -1.16 0.00 0.00 33.47 32.69 3i9n s TRP 125 CO 0.38 -0.74 0.14 0.45 -4.06 0.00 0.00 176.95 173.13 3i9n s SER 126 N -2.41 1.38 -0.96 -2.66 0.15 -0.65 -4.75 113.70 103.80 3i9n s SER 126 Ca -0.01 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.55 3i9n s SER 126 Cb -0.00 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 3i9n s SER 126 CO -0.08 -0.29 0.00 0.54 1.20 0.00 0.00 173.24 174.61 3i9n n ARG 127 N 5.31 -0.72 -2.90 5.44 1.74 -1.26 -3.98 116.66 120.29 3i9n n ARG 127 Ca -0.05 0.70 -0.13 0.00 -0.77 0.00 0.00 57.85 57.60 3i9n n ARG 127 Cb 0.50 -4.66 0.02 0.00 -1.02 0.00 0.00 32.46 27.29 3i9n n ARG 127 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3i9n n ILE 128 N -3.23 0.29 -0.17 0.55 3.06 -1.26 -4.68 119.36 113.93 3i9n n ILE 128 Ca -0.10 -3.41 -0.10 0.00 -2.50 0.00 0.00 62.75 56.64 3i9n n ILE 128 Cb 0.43 0.39 0.00 0.00 0.54 0.00 0.00 39.64 41.00 3i9n n ILE 128 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3i9n h LYS 129 N 2.91 0.88 -0.37 9.51 3.64 -1.96 -2.98 116.57 128.20 3i9n h LYS 129 Ca -0.03 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.02 3i9n h LYS 129 Cb 1.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3i9n h LYS 129 CO 0.41 0.91 0.05 -0.44 -2.27 0.00 0.00 179.45 178.11 3i9n h ASP 130 N 0.74 0.59 0.15 4.20 5.19 -2.00 -2.46 116.42 122.83 3i9n h ASP 130 Ca 0.14 -0.27 -0.16 0.00 -0.62 0.00 0.00 57.03 56.12 3i9n h ASP 130 Cb 0.51 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 3i9n h ASP 130 CO 0.03 0.72 -0.61 0.25 -3.12 0.00 0.00 179.24 176.50 3i9n h LEU 131 N 0.45 0.52 -0.27 1.55 7.12 -1.99 -1.26 115.31 121.42 3i9n h LEU 131 Ca 0.11 -0.30 -0.02 0.00 0.13 0.00 0.00 57.88 57.80 3i9n h LEU 131 Cb 0.38 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.35 3i9n h LEU 131 CO 0.01 1.00 0.10 0.00 -0.13 0.00 0.00 178.44 179.42 3i9n h ALA 132 N 1.00 0.36 -0.12 1.25 0.00 -1.37 -0.44 119.26 119.93 3i9n h ALA 132 Ca -0.01 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 3i9n h ALA 132 Cb 1.15 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3i9n h ALA 132 CO 0.11 -0.03 -0.67 0.45 0.00 0.00 0.00 179.25 179.11 3i9n h HIS 133 N 0.28 0.64 -0.65 0.00 3.86 -1.45 -1.26 115.15 116.57 3i9n h HIS 133 Ca 0.09 -0.26 0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3i9n h HIS 133 Cb 0.21 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.50 3i9n h HIS 133 CO -0.00 1.01 0.29 1.96 0.86 0.00 0.00 177.93 182.06 3i9n h GLN 134 N 0.35 0.50 0.72 2.45 4.20 -1.16 -1.23 115.11 120.94 3i9n h GLN 134 Ca -0.02 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3i9n h GLN 134 Cb 1.23 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3i9n h GLN 134 CO 0.12 0.33 -0.39 0.35 -0.67 0.00 0.00 178.83 178.58 3i9n h PHE 135 N 0.52 -1.01 0.00 2.96 3.04 -0.80 -2.66 116.94 118.98 3i9n h PHE 135 Ca 0.32 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.25 3i9n h PHE 135 Cb 0.35 0.35 0.00 0.00 2.56 0.00 0.00 35.95 39.20 3i9n h PHE 135 CO -0.13 -0.60 0.00 1.79 -2.02 0.00 0.00 178.31 177.35 3i9n h THR 136 N -1.02 0.00 -0.30 4.41 1.35 -1.20 -0.42 112.91 115.74 3i9n h THR 136 Ca -0.10 -0.15 -0.15 0.00 -0.55 0.00 0.00 66.41 65.46 3i9n h THR 136 Cb 0.80 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 3i9n h THR 136 CO 0.13 0.00 -0.43 -0.61 -0.25 0.00 0.00 175.52 174.36 3i9n h GLN 137 N 0.00 0.75 0.00 4.72 5.75 -0.87 -1.63 115.11 123.83 3i9n h GLN 137 Ca 0.00 -0.41 -0.23 0.00 -0.15 0.00 0.00 58.65 57.86 3i9n h GLN 137 Cb 0.21 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 3i9n h GLN 137 CO 0.00 1.03 -1.30 0.28 -2.65 0.00 0.00 178.83 176.20 3i9n n VAL 138 N -4.03 1.53 0.42 2.39 0.31 -0.73 -4.47 118.33 113.74 3i9n n VAL 138 Ca -0.02 -0.03 -0.18 0.00 -0.01 0.00 0.00 64.34 64.10 3i9n n VAL 138 Cb 0.55 -2.05 -0.09 0.00 -0.91 0.00 0.00 33.84 31.34 3i9n n VAL 138 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3i9n h GLN 139 N -1.00 -1.07 0.00 5.55 1.08 -1.24 -3.44 115.11 114.99 3i9n h GLN 139 Ca -0.35 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3i9n h GLN 139 Cb 1.28 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 3i9n h GLN 139 CO -0.21 -0.71 0.00 -2.13 -0.95 0.00 0.00 178.83 174.82 3i9n n ARG 140 N -5.13 0.00 0.15 1.46 3.00 -0.61 -4.73 116.66 110.79 3i9n n ARG 140 Ca -0.14 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.72 3i9n n ARG 140 Cb 0.45 -3.05 0.29 0.00 0.00 0.00 0.00 32.46 30.16 3i9n n ARG 140 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3i9n h ASP 141 N 0.00 0.09 -3.26 6.15 1.82 -1.86 -3.45 116.42 115.91 3i9n h ASP 141 Ca 0.00 -0.04 -0.53 0.00 -0.39 0.00 0.00 57.03 56.07 3i9n h ASP 141 Cb 0.00 -0.03 -0.17 0.00 0.68 0.00 0.00 39.33 39.82 3i9n h ASP 141 CO 0.00 0.49 -0.77 -0.04 -1.61 0.00 0.00 179.24 177.31 3i9n s MET 142 N -4.14 1.36 -0.12 0.28 -1.94 -1.26 -4.86 119.30 108.62 3i9n s MET 142 Ca -0.03 -1.51 -0.00 0.00 -1.71 0.00 0.00 55.69 52.44 3i9n s MET 142 Cb 0.14 -1.39 0.02 0.00 2.01 0.00 0.00 34.83 35.61 3i9n s MET 142 CO 0.75 0.27 -0.09 -0.06 -0.01 0.00 0.00 175.02 175.88 3i9n s PHE 143 N -2.28 1.65 0.71 -0.03 0.08 -0.39 -4.73 117.98 112.99 3i9n s PHE 143 Ca 0.20 -0.86 -0.06 0.00 0.12 0.00 0.00 56.93 56.32 3i9n s PHE 143 Cb -0.05 -1.32 0.08 0.00 -0.57 0.00 0.00 43.02 41.16 3i9n s PHE 143 CO 0.08 -0.55 1.02 0.95 -0.10 0.00 0.00 175.22 176.61 3i9n s THR 144 N 1.66 2.27 0.40 0.64 -4.23 -1.26 -1.09 115.64 114.03 3i9n s THR 144 Ca 0.05 -0.31 0.06 0.00 -1.18 0.00 0.00 61.69 60.31 3i9n s THR 144 Cb -0.13 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 71.01 3i9n s THR 144 CO -0.09 0.00 2.04 0.25 -0.54 0.00 0.00 174.62 176.28 3i9n h LEU 145 N -0.62 0.49 0.00 4.79 5.85 -1.99 -0.41 115.31 123.43 3i9n h LEU 145 Ca -0.43 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3i9n h LEU 145 Cb 1.30 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3i9n h LEU 145 CO 0.56 0.37 0.00 -0.62 -0.34 0.00 0.00 178.44 178.41 3i9n n GLU 146 N -4.45 0.06 -0.02 1.25 4.71 -1.26 -1.61 120.64 119.31 3i9n n GLU 146 Ca 0.03 0.28 0.13 0.00 -0.01 0.00 0.00 57.16 57.59 3i9n n GLU 146 Cb 0.07 -1.50 0.33 0.00 -1.01 0.00 0.00 31.44 29.33 3i9n n GLU 146 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3i9n n ASP 147 N -1.41 2.22 -4.99 1.62 10.43 -0.16 -3.31 116.55 120.95 3i9n n ASP 147 Ca 0.03 -1.74 -0.20 0.00 2.57 0.00 0.00 54.79 55.45 3i9n n ASP 147 Cb 0.09 -0.02 0.01 0.00 1.84 0.00 0.00 41.12 43.04 3i9n n ASP 147 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3i9n s THR 148 N -1.96 3.37 0.07 -3.53 -4.23 -0.63 -4.90 115.64 103.83 3i9n s THR 148 Ca 0.34 -0.83 -0.37 0.00 -1.18 0.00 0.00 61.69 59.65 3i9n s THR 148 Cb 0.20 -3.19 -0.20 0.00 1.34 0.00 0.00 72.50 70.66 3i9n s THR 148 CO 0.32 -0.10 1.57 0.25 -0.54 0.00 0.00 174.62 176.12 3i9n h LEU 149 N 0.52 -1.23 -0.47 4.79 5.85 -1.87 0.09 115.31 122.99 3i9n h LEU 149 Ca -0.43 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.45 3i9n h LEU 149 Cb 1.27 0.35 -0.09 0.00 0.37 0.00 0.00 40.66 42.56 3i9n h LEU 149 CO 0.51 -0.77 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.66 3i9n h LEU 150 N -1.24 -0.41 -1.08 2.25 3.38 -1.90 0.54 115.31 116.85 3i9n h LEU 150 Ca -0.11 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3i9n h LEU 150 Cb 0.99 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 3i9n h LEU 150 CO 0.13 -0.15 0.40 1.23 0.09 0.00 0.00 178.44 180.15 3i9n h GLY 151 N 0.01 1.12 0.79 0.83 0.00 -1.60 -3.00 103.07 101.22 3i9n h GLY 151 Ca 0.23 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3i9n h GLY 151 CO -0.48 0.48 -0.10 -1.82 0.00 0.00 0.00 176.54 174.63 3i9n h TYR 152 N 1.05 0.46 -0.72 5.60 5.03 0.19 0.34 116.97 128.91 3i9n h TYR 152 Ca 0.26 -0.12 0.15 0.00 2.58 0.00 0.00 58.73 61.61 3i9n h TYR 152 Cb 0.04 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.17 3i9n h TYR 152 CO 0.01 0.70 0.49 -0.07 -1.32 0.00 0.00 178.16 177.96 3i9n h LEU 153 N 0.08 0.31 0.00 2.82 3.38 -0.86 -3.24 115.31 117.81 3i9n h LEU 153 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i9n h LEU 153 Cb 0.58 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3i9n h LEU 153 CO 0.03 0.16 -1.62 0.00 0.09 0.00 0.00 178.44 177.10 3i9n n ALA 154 N -2.55 2.48 -1.63 1.53 0.00 -1.06 -4.80 120.51 114.48 3i9n n ALA 154 Ca 0.14 -0.33 -0.62 0.00 0.00 0.00 0.00 53.44 52.63 3i9n n ALA 154 Cb 0.55 -0.45 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 3i9n n ALA 154 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i9n n ASP 155 N -1.98 1.59 -0.00 0.00 4.64 0.09 -1.77 116.55 119.12 3i9n n ASP 155 Ca -0.03 1.00 -0.00 0.00 -1.38 0.00 0.00 54.79 54.39 3i9n n ASP 155 Cb 0.36 -1.00 -0.00 0.00 -1.04 0.00 0.00 41.12 39.44 3i9n n ASP 155 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3i9n n ASP 156 N 5.52 -3.06 -4.73 1.67 8.00 -1.26 -5.02 116.55 117.66 3i9n n ASP 156 Ca 0.34 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.57 3i9n n ASP 156 Cb 0.03 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 40.49 3i9n n ASP 156 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i9n s LEU 157 N -0.01 3.58 -0.00 0.64 1.43 -0.73 -5.06 118.68 118.53 3i9n s LEU 157 Ca 0.00 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 52.94 3i9n s LEU 157 Cb 0.00 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3i9n s LEU 157 CO 0.00 0.11 -0.18 -0.89 0.23 0.00 0.00 176.35 175.62 3i9n s THR 158 N -1.62 1.41 -0.13 5.49 2.01 -1.26 -4.98 115.64 116.55 3i9n s THR 158 Ca 0.29 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 3i9n s THR 158 Cb -0.10 -1.19 0.04 0.00 0.01 0.00 0.00 72.50 71.27 3i9n s THR 158 CO 0.21 0.33 0.46 -1.66 -0.69 0.00 0.00 174.62 173.27 3i9n s TRP 159 N -0.50 -0.47 -0.06 4.92 -2.14 -1.26 -1.15 118.94 118.27 3i9n s TRP 159 Ca 0.06 1.07 -0.30 0.00 2.66 0.00 0.00 56.10 59.60 3i9n s TRP 159 Cb -0.07 0.19 0.11 0.00 -3.10 0.00 0.00 33.47 30.60 3i9n s TRP 159 CO -0.00 -0.31 0.93 0.00 -2.66 0.00 0.00 176.95 174.91 3i9n n GLY 161 N 0.09 4.16 3.20 0.00 0.00 -1.26 -0.89 105.19 110.48 3i9n n GLY 161 Ca -0.09 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 3i9n n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9n s GLU 162 N 3.65 0.69 0.30 1.61 2.02 -1.24 -4.62 118.70 121.11 3i9n s GLU 162 Ca 0.00 -0.47 -0.24 0.00 0.02 0.00 0.00 54.97 54.28 3i9n s GLU 162 Cb 0.00 0.29 -0.09 0.00 0.10 0.00 0.00 34.13 34.43 3i9n s GLU 162 CO 0.00 -0.20 0.88 0.12 0.02 0.00 0.00 175.26 176.08 3i9n s PHE 163 N -2.13 3.66 0.00 1.61 5.36 -1.23 -2.72 117.98 122.53 3i9n s PHE 163 Ca -0.08 1.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 3i9n s PHE 163 Cb -0.03 -2.83 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 3i9n s PHE 163 CO -0.01 0.23 0.00 -0.25 -1.46 0.00 0.00 175.22 173.73 3i9n n ASP 164 N 0.56 0.00 -3.99 6.13 8.00 -1.26 -4.96 116.55 121.03 3i9n n ASP 164 Ca 0.01 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 3i9n n ASP 164 Cb 0.51 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.85 3i9n n ASP 164 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3i9n s THR 165 N -2.89 0.15 -2.62 -3.53 -1.32 -1.25 -5.05 115.64 99.13 3i9n s THR 165 Ca 0.00 -1.26 0.24 0.00 -1.21 0.00 0.00 61.69 59.46 3i9n s THR 165 Cb 0.00 -0.92 0.37 0.00 -1.51 0.00 0.00 72.50 70.44 3i9n s THR 165 CO 0.00 -0.69 1.38 -1.54 -2.21 0.00 0.00 174.62 171.56 3i9n n SER 166 N 0.77 3.22 -4.76 8.08 3.41 -1.26 -2.83 113.62 120.25 3i9n n SER 166 Ca -0.19 -1.97 -0.39 0.00 -0.26 0.00 0.00 58.87 56.06 3i9n n SER 166 Cb 0.58 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 3i9n n SER 166 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i9n s LYS 167 N -1.66 4.50 0.38 4.33 1.02 -1.26 -4.72 119.74 122.32 3i9n s LYS 167 Ca 0.36 1.75 -0.25 0.00 0.02 0.00 0.00 55.97 57.84 3i9n s LYS 167 Cb 0.22 -3.02 -0.09 0.00 -0.52 0.00 0.00 37.83 34.42 3i9n s LYS 167 CO 0.31 0.10 1.08 0.42 -0.92 0.00 0.00 175.35 176.34 3i9n s ILE 168 N -1.28 3.58 -0.70 2.17 1.01 -1.26 -3.99 121.20 120.72 3i9n s ILE 168 Ca 0.48 1.30 -0.18 0.00 0.00 0.00 0.00 60.65 62.25 3i9n s ILE 168 Cb -0.30 -3.72 0.12 0.00 0.01 0.00 0.00 42.46 38.58 3i9n s ILE 168 CO 0.38 0.10 0.82 0.21 0.00 0.00 0.00 174.94 176.44 3i9n s ASN 169 N -1.36 6.35 -0.03 3.58 3.84 -0.07 -4.86 114.94 122.40 3i9n s ASN 169 Ca 0.55 -1.70 0.09 0.00 0.21 0.00 0.00 52.86 52.00 3i9n s ASN 169 Cb -0.25 -2.32 0.30 0.00 -0.55 0.00 0.00 41.25 38.43 3i9n s ASN 169 CO 0.32 -1.05 1.18 -1.22 -2.79 0.00 0.00 177.10 173.54 3i9n n TYR 170 N 6.14 0.54 -0.10 0.43 4.02 -1.26 -0.47 117.16 126.46 3i9n n TYR 170 Ca 0.01 -0.24 -0.12 0.00 -0.01 0.00 0.00 57.90 57.54 3i9n n TYR 170 Cb 0.45 -0.07 -0.04 0.00 -0.02 0.00 0.00 39.34 39.65 3i9n n TYR 170 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3i9n n GLN 171 N 0.38 0.53 -3.60 -0.72 1.13 -1.26 -4.56 117.38 109.28 3i9n n GLN 171 Ca 0.11 0.25 -0.14 0.00 -1.94 0.00 0.00 57.00 55.28 3i9n n GLN 171 Cb 0.37 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.19 3i9n n GLN 171 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3i9n s SER 172 N -6.14 -0.41 0.13 1.08 1.04 -1.26 -3.38 113.70 104.75 3i9n s SER 172 Ca -0.29 0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.36 3i9n s SER 172 Cb 0.05 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 3i9n s SER 172 CO 0.42 -0.68 -0.08 0.00 0.98 0.00 0.00 173.24 173.89 3i9n n PRO 174 N -0.14 2.52 -2.94 0.00 -0.02 -1.26 -0.23 135.00 132.93 3i9n n PRO 174 Ca -0.11 0.91 -0.40 0.00 -2.02 0.00 0.00 63.50 61.88 3i9n n PRO 174 Cb 0.61 -2.75 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 3i9n n PRO 174 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i9n s ASP 175 N 1.87 7.30 0.27 2.55 -1.08 -1.26 -4.69 116.67 121.63 3i9n s ASP 175 Ca 0.80 1.55 0.00 0.00 -0.52 0.00 0.00 52.55 54.38 3i9n s ASP 175 Cb -0.57 -2.50 0.59 0.00 -1.46 0.00 0.00 42.92 38.98 3i9n s ASP 175 CO 0.38 0.04 1.75 -0.25 0.52 0.00 0.00 175.17 177.61 3i9n h TRP 176 N 5.40 0.79 0.01 -5.34 7.01 -1.94 0.13 115.95 122.01 3i9n h TRP 176 Ca -0.44 0.04 -0.28 0.00 2.11 0.00 0.00 58.89 60.31 3i9n h TRP 176 Cb 1.21 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 28.01 3i9n h TRP 176 CO 0.65 0.16 -1.52 -2.13 -2.79 0.00 0.00 178.44 172.80 3i9n n ARG 177 N -4.88 0.59 0.12 2.65 0.63 -1.26 -3.33 116.66 111.17 3i9n n ARG 177 Ca 0.18 0.50 0.13 0.00 -0.92 0.00 0.00 57.85 57.74 3i9n n ARG 177 Cb 0.48 -1.71 0.38 0.00 0.45 0.00 0.00 32.46 32.07 3i9n n ARG 177 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3i9n h LYS 178 N -0.89 0.00 0.00 -0.14 1.57 -1.97 -3.43 116.57 111.72 3i9n h LYS 178 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3i9n h LYS 178 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.73 3i9n h LYS 178 CO -0.21 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.42 3i9n n ASP 179 N -2.35 0.50 -3.60 0.86 8.00 0.40 -4.92 116.55 115.45 3i9n n ASP 179 Ca 0.05 0.08 -0.08 0.00 0.71 0.00 0.00 54.79 55.55 3i9n n ASP 179 Cb 0.44 -0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.35 3i9n n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9n h SER 181 N 2.65 0.00 -1.01 0.00 4.64 -1.83 -3.36 113.55 114.64 3i9n h SER 181 Ca -0.18 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.47 3i9n h SER 181 Cb 1.17 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.14 3i9n h SER 181 CO 0.27 0.33 2.05 0.59 -0.87 0.00 0.00 176.83 179.19 3i9n n ASN 182 N -3.15 7.72 -4.77 4.97 3.02 -1.26 -4.45 115.26 117.34 3i9n n ASN 182 Ca 0.02 -3.09 -0.22 0.00 -0.03 0.00 0.00 54.58 51.26 3i9n n ASN 182 Cb 0.67 -1.35 -0.05 0.00 -0.61 0.00 0.00 39.78 38.44 3i9n n ASN 182 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i9n s ASN 183 N 0.56 5.09 0.26 6.41 4.22 -1.25 -2.52 114.94 127.71 3i9n s ASN 183 Ca 0.57 -0.49 -0.01 0.00 -2.14 0.00 0.00 52.86 50.78 3i9n s ASN 183 Cb 0.23 -1.05 0.57 0.00 1.28 0.00 0.00 41.25 42.27 3i9n s ASN 183 CO -0.12 -0.15 1.70 -0.65 -2.04 0.00 0.00 177.10 175.84 3i9n h PRO 184 N 1.54 0.34 0.25 3.55 0.11 -1.81 -0.05 132.00 135.93 3i9n h PRO 184 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3i9n h PRO 184 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i9n h PRO 184 CO 0.61 0.22 -0.12 0.28 -0.21 0.00 0.00 178.00 178.78 3i9n h VAL 185 N 0.35 0.53 -0.81 3.15 2.07 -1.95 -2.33 116.25 117.25 3i9n h VAL 185 Ca 0.47 -0.91 0.07 0.00 0.82 0.00 0.00 66.70 67.15 3i9n h VAL 185 Cb 0.83 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3i9n h VAL 185 CO -0.51 0.13 0.53 0.28 0.02 0.00 0.00 177.57 178.03 3i9n h SER 186 N -0.95 0.77 0.36 0.57 0.02 -1.76 -2.08 113.55 110.48 3i9n h SER 186 Ca -0.03 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.74 3i9n h SER 186 Cb 0.48 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3i9n h SER 186 CO 0.06 0.49 -0.77 0.58 -1.14 0.00 0.00 176.83 176.05 3i9n h VAL 187 N 0.88 1.41 0.30 2.27 2.07 -1.06 -2.51 116.25 119.60 3i9n h VAL 187 Ca 0.35 -2.26 -0.00 0.00 0.82 0.00 0.00 66.70 65.61 3i9n h VAL 187 Cb 0.25 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3i9n h VAL 187 CO -0.13 0.67 -0.27 0.15 0.02 0.00 0.00 177.57 178.01 3i9n h PHE 188 N 0.22 -0.73 -0.75 1.57 3.57 -0.80 -2.44 116.94 117.57 3i9n h PHE 188 Ca -0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 3i9n h PHE 188 Cb 1.35 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 40.33 3i9n h PHE 188 CO 0.04 -0.40 0.38 -1.49 -2.23 0.00 0.00 178.31 174.61 3i9n h TRP 189 N -0.59 1.07 -0.83 0.41 4.06 -1.41 -1.48 115.95 117.17 3i9n h TRP 189 Ca -0.01 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.89 3i9n h TRP 189 Cb 0.54 -0.33 -0.04 0.00 -1.00 0.00 0.00 29.16 28.32 3i9n h TRP 189 CO -0.16 0.77 0.51 -0.22 -3.56 0.00 0.00 178.44 175.78 3i9n h LYS 190 N 1.05 1.12 0.08 0.49 3.64 -1.42 0.32 116.57 121.87 3i9n h LYS 190 Ca 0.26 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3i9n h LYS 190 Cb 0.08 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3i9n h LYS 190 CO -0.04 0.78 -0.04 1.15 -2.27 0.00 0.00 179.45 179.04 3i9n h THR 191 N 1.15 1.15 -0.29 1.00 2.02 -0.89 -2.54 112.91 114.52 3i9n h THR 191 Ca 0.30 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 3i9n h THR 191 Cb -0.06 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3i9n h THR 191 CO -0.06 0.31 0.13 -0.37 0.37 0.00 0.00 175.52 175.91 3i9n h VAL 192 N -0.80 1.11 -0.18 3.16 -1.51 -1.33 -2.63 116.25 114.06 3i9n h VAL 192 Ca -0.01 -0.31 -0.18 0.00 -1.23 0.00 0.00 66.70 64.97 3i9n h VAL 192 Cb 0.60 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 30.50 3i9n h VAL 192 CO 0.02 0.12 -0.62 0.28 -1.23 0.00 0.00 177.57 176.14 3i9n h SER 193 N 0.40 0.71 -0.33 4.19 0.02 -0.96 -1.65 113.55 115.93 3i9n h SER 193 Ca 0.10 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 3i9n h SER 193 Cb 0.05 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3i9n h SER 193 CO -0.01 1.16 0.12 -0.09 -1.14 0.00 0.00 176.83 176.87 3i9n h ARG 194 N 0.46 0.50 -0.14 3.45 2.43 -1.32 -2.59 114.38 117.18 3i9n h ARG 194 Ca -0.01 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3i9n h ARG 194 Cb 1.20 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3i9n h ARG 194 CO 0.12 0.52 0.02 0.00 -1.51 0.00 0.00 179.97 179.12 3i9n h ARG 195 N 0.38 0.24 -0.65 0.20 3.08 -1.38 -1.49 114.38 114.76 3i9n h ARG 195 Ca 0.11 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.20 3i9n h ARG 195 Cb 0.21 -0.03 -0.12 0.00 0.08 0.00 0.00 29.97 30.12 3i9n h ARG 195 CO -0.01 0.43 -0.39 0.35 -1.07 0.00 0.00 179.97 179.29 3i9n h PHE 196 N 0.00 -1.12 -0.20 3.04 3.57 -1.31 0.39 116.94 121.32 3i9n h PHE 196 Ca 0.04 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3i9n h PHE 196 Cb 0.32 0.58 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 3i9n h PHE 196 CO 0.02 -0.40 -0.04 0.00 -2.23 0.00 0.00 178.31 175.66 3i9n h ALA 197 N 0.88 1.56 -0.08 2.41 0.00 -1.34 -1.65 119.26 121.04 3i9n h ALA 197 Ca 0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3i9n h ALA 197 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i9n h ALA 197 CO -0.73 0.32 -0.19 0.93 0.00 0.00 0.00 179.25 179.58 3i9n h GLU 198 N 0.29 0.13 0.00 0.00 5.08 0.10 -2.92 114.58 117.26 3i9n h GLU 198 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3i9n h GLU 198 Cb 0.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3i9n h GLU 198 CO 0.01 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.34 3i9n h ALA 199 N 1.69 1.00 -2.34 3.43 0.00 -0.11 -3.44 119.26 119.49 3i9n h ALA 199 Ca 0.02 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.42 3i9n h ALA 199 Cb 0.41 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.30 3i9n h ALA 199 CO 0.03 0.00 0.35 0.00 0.00 0.00 0.00 179.25 179.63 3i9n s ALA 200 N -3.22 2.52 0.24 0.00 0.00 -1.10 -4.66 121.76 115.55 3i9n s ALA 200 Ca 0.08 0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.13 3i9n s ALA 200 Cb 0.08 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.97 3i9n s ALA 200 CO 0.62 -1.37 0.49 0.00 0.00 0.00 0.00 175.76 175.50 3i9n n ASP 202 N -0.38 0.00 -4.46 0.00 8.00 -0.15 -4.10 116.55 115.45 3i9n n ASP 202 Ca -0.02 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.09 3i9n n ASP 202 Cb 0.62 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.60 3i9n n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i9n s VAL 203 N 0.00 4.77 -0.15 2.53 1.01 -1.26 -0.09 120.40 127.22 3i9n s VAL 203 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 3i9n s VAL 203 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 3i9n s VAL 203 CO 0.00 0.05 0.21 -0.69 0.00 0.00 0.00 175.10 174.67 3i9n s VAL 204 N 1.64 5.37 0.07 2.92 1.01 -0.41 -4.64 120.40 126.35 3i9n s VAL 204 Ca 0.05 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.42 3i9n s VAL 204 Cb -0.17 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3i9n s VAL 204 CO 0.07 0.49 0.09 -1.00 0.00 0.00 0.00 175.10 174.75 3i9n s HIS 205 N -0.14 3.23 -0.06 5.22 3.76 -1.05 -0.06 115.29 126.19 3i9n s HIS 205 Ca 0.14 0.10 -0.00 0.00 -0.15 0.00 0.00 55.06 55.15 3i9n s HIS 205 Cb -0.12 -1.64 0.03 0.00 1.11 0.00 0.00 32.58 31.95 3i9n s HIS 205 CO 0.03 0.53 -0.02 0.54 -0.85 0.00 0.00 174.74 174.97 3i9n s VAL 206 N -1.38 0.44 0.09 -0.90 0.11 0.43 0.20 120.40 119.38 3i9n s VAL 206 Ca 0.29 0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 59.11 3i9n s VAL 206 Cb -0.12 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.12 3i9n s VAL 206 CO 0.22 0.24 0.77 -0.04 -3.33 0.00 0.00 175.10 172.97 3i9n s MET 207 N 1.53 4.52 0.12 1.54 -1.94 -0.42 -0.55 119.30 124.10 3i9n s MET 207 Ca -0.02 1.11 0.06 0.00 -1.71 0.00 0.00 55.69 55.13 3i9n s MET 207 Cb -0.13 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.35 3i9n s MET 207 CO -0.03 0.38 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.70 3i9n s LEU 208 N -0.43 2.38 -0.71 -0.03 1.43 -0.08 -1.64 118.68 119.59 3i9n s LEU 208 Ca 0.38 -0.78 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 3i9n s LEU 208 Cb -0.21 -0.59 0.10 0.00 0.03 0.00 0.00 46.19 45.51 3i9n s LEU 208 CO 0.24 -0.11 0.92 -0.62 0.23 0.00 0.00 176.35 177.02 3i9n s ASP 209 N -2.32 6.30 0.63 2.29 -1.08 -1.26 -0.57 116.67 120.66 3i9n s ASP 209 Ca 0.08 -1.41 0.14 0.00 -0.52 0.00 0.00 52.55 50.84 3i9n s ASP 209 Cb -0.06 -2.37 0.78 0.00 -1.46 0.00 0.00 42.92 39.81 3i9n s ASP 209 CO 0.03 -1.24 1.42 1.23 0.52 0.00 0.00 175.17 177.14 3i9n h GLY 210 N 10.64 0.00 -0.04 2.66 0.00 0.20 0.17 103.07 116.70 3i9n h GLY 210 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3i9n h GLY 210 CO 1.13 0.00 -0.83 -1.14 0.00 0.00 0.00 176.54 175.70 3i9n n SER 211 N -2.61 0.89 -4.42 0.19 3.41 -1.26 -4.78 113.62 105.05 3i9n n SER 211 Ca -0.01 -0.95 -0.38 0.00 -0.26 0.00 0.00 58.87 57.28 3i9n n SER 211 Cb 0.67 0.98 0.04 0.00 -0.26 0.00 0.00 64.21 65.63 3i9n n SER 211 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i9n n ARG 212 N -1.36 0.37 0.09 4.33 5.12 0.59 -4.90 116.66 120.89 3i9n n ARG 212 Ca 0.04 0.15 -0.10 0.00 -1.93 0.00 0.00 57.85 56.01 3i9n n ARG 212 Cb 0.29 -1.62 -0.06 0.00 -1.16 0.00 0.00 32.46 29.91 3i9n n ARG 212 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 3i9n h SER 213 N -0.00 -0.91 -3.83 0.55 0.02 -1.94 -3.31 113.55 104.12 3i9n h SER 213 Ca -0.45 0.09 -0.64 0.00 -0.84 0.00 0.00 61.79 59.95 3i9n h SER 213 Cb 1.39 0.33 -0.19 0.00 0.14 0.00 0.00 62.40 64.07 3i9n h SER 213 CO 0.44 -0.34 -0.54 -0.54 -1.14 0.00 0.00 176.83 174.70 3i9n s LYS 214 N -4.63 3.85 0.19 3.45 1.02 -1.26 -5.00 119.74 117.36 3i9n s LYS 214 Ca -0.10 -0.38 -0.13 0.00 0.02 0.00 0.00 55.97 55.39 3i9n s LYS 214 Cb 0.03 -3.58 0.19 0.00 -0.52 0.00 0.00 37.83 33.95 3i9n s LYS 214 CO 0.35 -0.20 1.72 0.82 -0.92 0.00 0.00 175.35 177.13 3i9n h ILE 215 N 5.42 0.73 -3.37 2.17 2.04 -1.81 -3.38 117.51 119.31 3i9n h ILE 215 Ca -0.36 -0.08 -0.66 0.00 1.00 0.00 0.00 64.86 64.76 3i9n h ILE 215 Cb 1.18 0.46 -0.26 0.00 -0.74 0.00 0.00 36.82 37.47 3i9n h ILE 215 CO 0.56 0.04 -0.75 0.12 0.00 0.00 0.00 178.15 178.12 3i9n s PHE 216 N -6.14 2.83 -0.24 1.37 5.36 -1.26 -4.44 117.98 115.46 3i9n s PHE 216 Ca -0.13 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 55.30 3i9n s PHE 216 Cb 0.15 -1.84 0.05 0.00 -0.34 0.00 0.00 43.02 41.04 3i9n s PHE 216 CO 0.73 -0.15 -0.13 0.34 -1.46 0.00 0.00 175.22 174.54 3i9n s ASP 217 N 0.25 4.15 0.55 6.13 -1.08 -1.26 -4.86 116.67 120.55 3i9n s ASP 217 Ca -0.08 -1.21 0.31 0.00 -0.52 0.00 0.00 52.55 51.04 3i9n s ASP 217 Cb -0.15 -1.54 1.47 0.00 -1.46 0.00 0.00 42.92 41.24 3i9n s ASP 217 CO 0.05 -0.15 1.89 0.11 0.52 0.00 0.00 175.17 177.59 3i9n h LYS 218 N 7.82 0.00 -0.00 4.34 1.57 -1.97 -2.54 116.57 125.78 3i9n h LYS 218 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3i9n h LYS 218 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3i9n h LYS 218 CO 0.51 0.00 -0.40 -0.25 -0.57 0.00 0.00 179.45 178.73 3i9n n ASP 219 N -4.16 0.61 -4.71 0.86 8.00 -1.26 -2.71 116.55 113.18 3i9n n ASP 219 Ca 0.16 -0.39 -0.30 0.00 0.71 0.00 0.00 54.79 54.97 3i9n n ASP 219 Cb 0.90 0.18 0.14 0.00 -0.02 0.00 0.00 41.12 42.32 3i9n n ASP 219 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i9n s SER 220 N -2.85 3.43 0.34 -2.24 1.04 -0.96 -4.73 113.70 107.74 3i9n s SER 220 Ca 0.15 1.51 0.04 0.00 0.48 0.00 0.00 55.95 58.14 3i9n s SER 220 Cb 0.18 -2.19 0.67 0.00 0.10 0.00 0.00 66.02 64.78 3i9n s SER 220 CO 0.64 -2.67 1.95 0.74 0.98 0.00 0.00 173.24 174.88 3i9n h THR 221 N -1.57 1.05 -0.66 2.02 2.02 -1.90 0.18 112.91 114.05 3i9n h THR 221 Ca -0.49 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 3i9n h THR 221 Cb 1.28 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3i9n h THR 221 CO 0.54 0.15 0.27 0.15 0.37 0.00 0.00 175.52 177.00 3i9n h PHE 222 N 0.84 1.01 0.00 3.16 3.57 -1.90 -0.73 116.94 122.89 3i9n h PHE 222 Ca 0.32 -0.07 -0.16 0.00 3.53 0.00 0.00 57.97 61.59 3i9n h PHE 222 Cb 0.19 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3i9n h PHE 222 CO -0.00 0.79 -0.88 0.78 -2.23 0.00 0.00 178.31 176.77 3i9n h GLY 223 N 0.94 0.00 0.00 2.40 0.00 -1.48 0.19 103.07 105.12 3i9n h GLY 223 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3i9n h GLY 223 CO -0.02 0.00 -1.67 -1.14 0.00 0.00 0.00 176.54 173.71 3i9n n SER 224 N -3.20 1.78 0.02 0.19 3.41 0.54 -4.56 113.62 111.80 3i9n n SER 224 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.59 3i9n n SER 224 Cb 0.84 1.57 -0.00 0.00 -0.26 0.00 0.00 64.21 66.35 3i9n n SER 224 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3i9n n VAL 225 N -2.04 0.62 -0.02 -3.33 0.31 -0.41 -4.70 118.33 108.76 3i9n n VAL 225 Ca -0.04 0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.34 3i9n n VAL 225 Cb 0.42 -1.56 -0.10 0.00 -0.91 0.00 0.00 33.84 31.69 3i9n n VAL 225 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i9n h GLU 226 N -0.04 0.06 -0.34 5.55 5.08 -0.96 -2.82 114.58 121.11 3i9n h GLU 226 Ca -0.01 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3i9n h GLU 226 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3i9n h GLU 226 CO -0.01 0.56 0.38 -0.24 -1.00 0.00 0.00 179.01 178.70 3i9n h VAL 227 N -0.44 0.38 -0.04 3.13 3.04 -1.20 -1.37 116.25 119.73 3i9n h VAL 227 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3i9n h VAL 227 Cb 0.55 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 3i9n h VAL 227 CO 0.01 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.98 3i9n n HIS 228 N -3.69 0.02 -0.07 3.17 8.25 -1.09 -4.04 115.22 117.78 3i9n n HIS 228 Ca 0.05 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3i9n n HIS 228 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3i9n n HIS 228 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i9n n ASN 229 N 1.19 1.27 -4.77 0.41 3.02 -0.54 -4.99 115.26 110.84 3i9n n ASN 229 Ca 0.15 -1.35 -0.41 0.00 -0.03 0.00 0.00 54.58 52.94 3i9n n ASN 229 Cb 0.57 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.73 3i9n n ASN 229 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i9n s LEU 230 N -0.35 4.36 -0.32 3.41 1.43 -1.05 -3.28 118.68 122.89 3i9n s LEU 230 Ca 0.00 2.89 -0.13 0.00 -1.03 0.00 0.00 54.13 55.86 3i9n s LEU 230 Cb 0.00 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 3i9n s LEU 230 CO 0.00 -0.74 0.28 -1.10 0.23 0.00 0.00 176.35 175.02 3i9n s GLN 231 N -1.80 3.64 0.54 1.70 -1.52 -1.26 -4.95 119.66 116.02 3i9n s GLN 231 Ca 0.52 -0.46 0.30 0.00 -1.95 0.00 0.00 55.36 53.77 3i9n s GLN 231 Cb -0.44 -3.77 1.55 0.00 -0.22 0.00 0.00 33.01 30.14 3i9n s GLN 231 CO 0.57 -0.41 2.10 -1.35 -0.25 0.00 0.00 175.29 175.96 3i9n h PRO 232 N 8.44 0.00 -0.19 2.91 0.11 -1.85 0.26 132.00 141.68 3i9n h PRO 232 Ca -0.31 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 3i9n h PRO 232 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3i9n h PRO 232 CO 0.64 0.09 -0.10 0.93 -0.21 0.00 0.00 178.00 179.35 3i9n h GLU 233 N 0.00 0.29 0.00 1.05 3.07 -1.93 -3.33 114.58 113.73 3i9n h GLU 233 Ca -0.00 -0.06 -0.21 0.00 -0.50 0.00 0.00 59.36 58.58 3i9n h GLU 233 Cb 0.30 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 3i9n h GLU 233 CO 0.01 0.40 -1.83 1.63 -1.40 0.00 0.00 179.01 177.82 3i9n n LYS 234 N -4.28 1.95 -3.25 2.33 5.02 -0.34 -4.96 118.16 114.62 3i9n n LYS 234 Ca -0.00 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 3i9n n LYS 234 Cb 0.26 -1.31 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 3i9n n LYS 234 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9n s VAL 235 N -2.32 5.04 -0.06 -0.18 1.01 0.79 -0.98 120.40 123.70 3i9n s VAL 235 Ca -0.06 0.52 -0.25 0.00 0.00 0.00 0.00 61.98 62.20 3i9n s VAL 235 Cb 0.04 -3.91 -0.24 0.00 0.00 0.00 0.00 36.38 32.28 3i9n s VAL 235 CO 0.50 -0.10 1.02 -0.61 0.00 0.00 0.00 175.10 175.91 3i9n h GLN 236 N 8.31 0.15 -3.22 2.72 4.15 -0.80 -3.45 115.11 122.98 3i9n h GLN 236 Ca -0.28 -0.16 -0.17 0.00 0.77 0.00 0.00 58.65 58.80 3i9n h GLN 236 Cb 1.13 0.05 -0.25 0.00 0.21 0.00 0.00 27.48 28.61 3i9n h GLN 236 CO 0.75 0.91 -0.46 0.99 -1.93 0.00 0.00 178.83 179.09 3i9n s THR 237 N -3.12 0.01 -0.28 2.39 2.01 -0.87 -1.91 115.64 113.88 3i9n s THR 237 Ca -0.16 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 3i9n s THR 237 Cb 0.01 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 3i9n s THR 237 CO 0.74 -0.04 0.23 -0.22 -0.69 0.00 0.00 174.62 174.64 3i9n s LEU 238 N -0.04 4.02 -0.21 4.42 2.96 -0.45 -1.29 118.68 128.09 3i9n s LEU 238 Ca -0.01 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 3i9n s LEU 238 Cb -0.02 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 3i9n s LEU 238 CO 0.01 -0.08 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.24 3i9n s GLU 239 N 1.82 3.49 -0.12 1.98 2.12 0.91 -1.42 118.70 127.49 3i9n s GLU 239 Ca 0.09 -0.58 -0.16 0.00 0.36 0.00 0.00 54.97 54.68 3i9n s GLU 239 Cb -0.16 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 3i9n s GLU 239 CO 0.11 -0.11 0.39 0.00 -0.54 0.00 0.00 175.26 175.11 3i9n s ALA 240 N 1.28 3.55 -0.37 6.30 0.00 -0.49 -0.43 121.76 131.61 3i9n s ALA 240 Ca 0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 3i9n s ALA 240 Cb -0.14 -2.50 0.05 0.00 0.00 0.00 0.00 23.12 20.53 3i9n s ALA 240 CO -0.00 0.10 0.16 -1.58 0.00 0.00 0.00 175.76 174.44 3i9n s TRP 241 N 0.34 3.30 -0.45 0.00 0.51 0.29 -0.46 118.94 122.47 3i9n s TRP 241 Ca 0.22 -1.50 -0.23 0.00 -2.12 0.00 0.00 56.10 52.47 3i9n s TRP 241 Cb -0.14 -2.53 0.03 0.00 -0.81 0.00 0.00 33.47 30.01 3i9n s TRP 241 CO 0.08 -0.77 0.78 0.08 -0.51 0.00 0.00 176.95 176.61 3i9n s VAL 242 N 1.40 4.65 -0.25 4.03 1.01 -0.37 -0.90 120.40 129.96 3i9n s VAL 242 Ca 0.00 0.44 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 3i9n s VAL 242 Cb -0.21 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.86 3i9n s VAL 242 CO 0.02 -0.71 0.94 -0.63 0.00 0.00 0.00 175.10 174.73 3i9n s ILE 243 N 3.28 4.73 0.45 2.22 -1.09 0.27 -0.67 121.20 130.39 3i9n s ILE 243 Ca 0.30 1.75 -0.21 0.00 -2.23 0.00 0.00 60.65 60.25 3i9n s ILE 243 Cb -0.12 -4.24 -0.09 0.00 -1.58 0.00 0.00 42.46 36.43 3i9n s ILE 243 CO 0.22 -0.18 1.03 -1.00 -1.23 0.00 0.00 174.94 173.78 3i9n s HIS 244 N 3.10 3.11 -0.08 3.97 3.76 -0.08 0.88 115.29 129.95 3i9n s HIS 244 Ca 0.40 1.60 0.04 0.00 -0.15 0.00 0.00 55.06 56.95 3i9n s HIS 244 Cb -0.15 -3.06 -0.08 0.00 1.11 0.00 0.00 32.58 30.41 3i9n s HIS 244 CO 0.08 -0.68 -0.02 0.41 -0.85 0.00 0.00 174.74 173.68 3i9n n GLY 245 N -0.12 -0.27 0.00 -2.22 0.00 -1.26 -4.53 105.19 96.78 3i9n n GLY 245 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i9n n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9n n GLY 246 N 2.74 -2.40 3.65 -0.02 0.00 -1.26 -4.86 105.19 103.03 3i9n n GLY 246 Ca -0.14 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 3i9n n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i9n s ARG 247 N -1.18 4.15 0.97 1.61 3.52 -1.26 -4.86 118.95 121.90 3i9n s ARG 247 Ca 0.00 1.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 3i9n s ARG 247 Cb 0.00 -3.68 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 3i9n s ARG 247 CO 0.00 -0.73 0.00 0.39 -0.81 0.00 0.00 175.30 174.15 3i9n n GLU 248 N 6.49 0.00 -0.54 5.12 4.71 -1.26 -4.86 120.64 130.30 3i9n n GLU 248 Ca 0.11 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 57.07 3i9n n GLU 248 Cb 0.47 0.00 0.14 0.00 -1.01 0.00 0.00 31.44 31.04 3i9n n GLU 248 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 3i9n n ASP 249 N -1.50 -2.97 0.00 1.62 5.75 -1.25 -4.63 116.55 113.57 3i9n n ASP 249 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 3i9n n ASP 249 Cb 0.00 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 39.32 3i9n n ASP 249 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3i9n n SER 250 N -1.16 0.20 -4.33 -1.12 7.64 -1.26 -4.94 113.62 108.65 3i9n n SER 250 Ca 0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.62 3i9n n SER 250 Cb 0.36 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.76 3i9n n SER 250 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i9n n ARG 251 N 0.00 -1.93 -2.98 1.43 3.00 -1.26 -4.95 116.66 109.97 3i9n n ARG 251 Ca 0.00 -0.54 -0.44 0.00 -0.01 0.00 0.00 57.85 56.86 3i9n n ARG 251 Cb 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 32.46 30.60 3i9n n ARG 251 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3i9n s ASP 252 N -2.01 6.73 0.00 0.55 -1.08 -1.26 -4.88 116.67 114.73 3i9n s ASP 252 Ca 0.60 -2.31 0.06 0.00 -0.52 0.00 0.00 52.55 50.38 3i9n s ASP 252 Cb -0.16 -2.38 0.27 0.00 -1.46 0.00 0.00 42.92 39.19 3i9n s ASP 252 CO 0.66 -0.94 1.11 0.18 0.52 0.00 0.00 175.17 176.70 3i9n n LEU 253 N 6.04 0.00 0.00 -1.34 4.77 -1.26 -1.05 117.00 124.16 3i9n n LEU 253 Ca 0.25 0.40 0.16 0.00 -0.03 0.00 0.00 56.01 56.79 3i9n n LEU 253 Cb 0.48 -0.40 0.93 0.00 -2.33 0.00 0.00 43.42 42.10 3i9n n LEU 253 CO 0.50 -0.33 1.10 0.00 -1.33 0.00 0.00 177.39 177.34 3i9n n GLN 255 N -1.01 1.81 -1.68 0.00 1.13 -0.21 -4.65 117.38 112.77 3i9n n GLN 255 Ca 0.23 -1.47 -0.39 0.00 -1.94 0.00 0.00 57.00 53.43 3i9n n GLN 255 Cb 0.11 -1.47 0.03 0.00 0.11 0.00 0.00 30.24 29.03 3i9n n GLN 255 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3i9n n ASP 256 N 0.69 1.95 -0.09 1.08 -0.08 -0.48 -4.73 116.55 114.89 3i9n n ASP 256 Ca 0.12 0.98 -0.04 0.00 -1.51 0.00 0.00 54.79 54.34 3i9n n ASP 256 Cb 0.53 -1.47 0.17 0.00 2.34 0.00 0.00 41.12 42.68 3i9n n ASP 256 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i9n h PRO 257 N 1.39 0.76 0.00 -0.67 0.13 -1.93 -0.79 132.00 130.88 3i9n h PRO 257 Ca -0.48 -0.21 -0.05 0.00 -0.87 0.00 0.00 66.00 64.39 3i9n h PRO 257 Cb 1.32 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3i9n h PRO 257 CO 0.56 0.78 -0.22 1.79 -0.23 0.00 0.00 178.00 180.68 3i9n h THR 258 N 0.71 0.77 -0.01 1.56 1.35 -1.89 -0.14 112.91 115.26 3i9n h THR 258 Ca 0.14 -0.89 -0.20 0.00 -0.55 0.00 0.00 66.41 64.91 3i9n h THR 258 Cb 0.46 1.54 0.02 0.00 -1.73 0.00 0.00 68.15 68.43 3i9n h THR 258 CO 0.02 0.21 -0.79 0.40 -0.25 0.00 0.00 175.52 175.12 3i9n h ILE 259 N 0.00 1.35 -0.60 6.82 1.08 -1.64 -1.21 117.51 123.32 3i9n h ILE 259 Ca -0.00 -2.13 0.11 0.00 -0.39 0.00 0.00 64.86 62.45 3i9n h ILE 259 Cb 0.52 2.46 -0.03 0.00 -3.07 0.00 0.00 36.82 36.70 3i9n h ILE 259 CO 0.03 0.64 0.40 0.11 -0.69 0.00 0.00 178.15 178.64 3i9n h LYS 260 N 0.14 0.31 0.20 2.37 1.79 -0.84 0.16 116.57 120.70 3i9n h LYS 260 Ca -0.10 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 3i9n h LYS 260 Cb 1.47 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.05 3i9n h LYS 260 CO 0.16 0.21 -0.09 1.49 -1.08 0.00 0.00 179.45 180.13 3i9n h GLU 261 N 0.32 -0.25 -0.80 3.15 4.81 -0.55 -1.80 114.58 119.46 3i9n h GLU 261 Ca 0.28 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.72 3i9n h GLU 261 Cb 0.67 0.06 -0.13 0.00 0.63 0.00 0.00 28.75 29.98 3i9n h GLU 261 CO -0.07 0.14 0.15 1.25 -0.73 0.00 0.00 179.01 179.75 3i9n h LEU 262 N -0.74 -0.10 0.35 1.64 5.85 -0.93 -1.46 115.31 119.91 3i9n h LEU 262 Ca -0.03 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3i9n h LEU 262 Cb 0.51 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3i9n h LEU 262 CO 0.04 -0.13 -0.18 -0.08 -0.34 0.00 0.00 178.44 177.76 3i9n h GLU 263 N 0.20 -0.47 -0.45 1.25 4.81 -0.87 -1.06 114.58 117.99 3i9n h GLU 263 Ca 0.47 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.81 3i9n h GLU 263 Cb 0.88 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.30 3i9n h GLU 263 CO -0.62 -0.31 0.07 1.03 -0.73 0.00 0.00 179.01 178.45 3i9n h SER 264 N -0.49 -0.05 -0.40 1.04 0.87 -0.81 0.48 113.55 114.19 3i9n h SER 264 Ca -0.05 0.09 0.08 0.00 -1.23 0.00 0.00 61.79 60.68 3i9n h SER 264 Cb 0.38 0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.40 3i9n h SER 264 CO 0.07 0.01 -0.07 0.40 -0.53 0.00 0.00 176.83 176.71 3i9n h ILE 265 N 0.19 0.62 0.01 2.23 2.04 -1.11 -2.00 117.51 119.49 3i9n h ILE 265 Ca 0.22 -0.01 -0.24 0.00 1.00 0.00 0.00 64.86 65.83 3i9n h ILE 265 Cb 0.30 0.59 0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3i9n h ILE 265 CO -0.31 0.00 -0.95 -0.29 0.00 0.00 0.00 178.15 176.61 3i9n h ILE 266 N 0.03 1.32 -0.94 -0.67 6.09 -0.77 -2.67 117.51 119.90 3i9n h ILE 266 Ca 0.20 -2.22 0.09 0.00 -1.37 0.00 0.00 64.86 61.55 3i9n h ILE 266 Cb 0.30 2.47 -0.07 0.00 0.47 0.00 0.00 36.82 39.98 3i9n h ILE 266 CO -0.39 0.68 0.59 0.28 -3.07 0.00 0.00 178.15 176.23 3i9n h SER 267 N 0.25 0.90 0.60 2.19 0.02 -0.87 -1.75 113.55 114.90 3i9n h SER 267 Ca -0.12 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3i9n h SER 267 Cb 1.62 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.00 3i9n h SER 267 CO 0.19 0.54 0.00 0.29 -1.14 0.00 0.00 176.83 176.70 3i9n n LYS 268 N -4.61 0.13 -0.05 3.45 5.02 -0.75 -1.36 118.16 119.99 3i9n n LYS 268 Ca 0.16 0.11 0.11 0.00 -2.02 0.00 0.00 58.31 56.66 3i9n n LYS 268 Cb 0.25 -1.50 0.44 0.00 -0.02 0.00 0.00 35.03 34.20 3i9n n LYS 268 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i9n n ARG 269 N -1.41 1.60 -3.10 1.97 1.74 -0.69 -4.93 116.66 111.85 3i9n n ARG 269 Ca 0.07 -0.90 -0.14 0.00 -0.77 0.00 0.00 57.85 56.12 3i9n n ARG 269 Cb 0.22 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.31 3i9n n ARG 269 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i9n n ASN 270 N 0.11 -4.51 -4.22 0.55 3.02 -0.47 -4.75 115.26 105.00 3i9n n ASN 270 Ca 0.17 -0.30 -0.28 0.00 -0.03 0.00 0.00 54.58 54.13 3i9n n ASN 270 Cb 0.29 -3.11 -0.16 0.00 -0.61 0.00 0.00 39.78 36.19 3i9n n ASN 270 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i9n s ILE 271 N -3.16 1.74 0.46 2.41 1.01 -1.03 -4.94 121.20 117.68 3i9n s ILE 271 Ca 0.33 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.84 3i9n s ILE 271 Cb -0.14 -1.46 -0.08 0.00 0.01 0.00 0.00 42.46 40.79 3i9n s ILE 271 CO 0.40 0.49 1.11 -1.10 0.00 0.00 0.00 174.94 175.84 3i9n s GLN 272 N -0.28 3.83 -0.09 2.79 -0.21 -0.80 -3.18 119.66 121.73 3i9n s GLN 272 Ca 0.02 1.61 0.03 0.00 0.02 0.00 0.00 55.36 57.04 3i9n s GLN 272 Cb -0.11 -2.35 -0.02 0.00 1.00 0.00 0.00 33.01 31.54 3i9n s GLN 272 CO 0.01 -0.45 -0.17 0.12 -2.12 0.00 0.00 175.29 172.69 3i9n s PHE 273 N -1.68 2.68 0.13 0.91 5.36 -1.26 -1.34 117.98 122.77 3i9n s PHE 273 Ca 0.64 -0.53 0.03 0.00 -0.96 0.00 0.00 56.93 56.10 3i9n s PHE 273 Cb -0.24 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.68 3i9n s PHE 273 CO 0.29 -0.10 -0.07 -1.54 -1.46 0.00 0.00 175.22 172.34 3i9n s SER 274 N -0.11 1.41 -0.00 6.13 1.04 -0.50 -4.98 113.70 116.69 3i9n s SER 274 Ca -0.03 -1.04 -0.03 0.00 0.48 0.00 0.00 55.95 55.33 3i9n s SER 274 Cb -0.14 0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.03 3i9n s SER 274 CO 0.04 -0.43 0.05 0.00 0.98 0.00 0.00 173.24 173.87 3i9n s LYS 276 N -0.87 0.08 0.43 0.00 1.02 0.39 -4.96 119.74 115.83 3i9n s LYS 276 Ca -0.10 -0.05 -0.22 0.00 0.02 0.00 0.00 55.97 55.63 3i9n s LYS 276 Cb -0.06 0.03 -0.10 0.00 -0.52 0.00 0.00 37.83 37.19 3i9n s LYS 276 CO 0.00 -0.01 1.00 -0.80 -0.92 0.00 0.00 175.35 174.62 3i9n s ASN 277 N -0.20 6.73 -0.41 2.83 0.01 -1.26 -1.24 114.94 121.40 3i9n s ASN 277 Ca -0.02 1.86 0.03 0.00 -0.71 0.00 0.00 52.86 54.01 3i9n s ASN 277 Cb -0.02 -2.56 0.12 0.00 0.41 0.00 0.00 41.25 39.20 3i9n s ASN 277 CO -0.00 -0.51 0.17 -0.63 -1.51 0.00 0.00 177.10 174.63 3i9n s ILE 278 N -1.95 1.84 0.29 0.60 1.01 0.15 -4.84 121.20 118.30 3i9n s ILE 278 Ca 0.62 -2.51 0.02 0.00 0.00 0.00 0.00 60.65 58.78 3i9n s ILE 278 Cb -0.15 -2.32 0.10 0.00 0.01 0.00 0.00 42.46 40.10 3i9n s ILE 278 CO 0.19 -0.76 1.77 1.88 0.00 0.00 0.00 174.94 178.02 3i9n h TYR 279 N 7.12 0.62 -3.20 3.97 0.05 -1.91 -0.18 116.97 123.44 3i9n h TYR 279 Ca -0.06 -0.10 -0.62 0.00 0.05 0.00 0.00 58.73 58.00 3i9n h TYR 279 Cb 0.96 -0.16 -0.40 0.00 1.01 0.00 0.00 36.73 38.13 3i9n h TYR 279 CO 0.46 0.68 -0.70 1.03 -1.05 0.00 0.00 178.16 178.58 3i9n s ARG 280 N -4.74 1.47 0.27 4.88 1.81 -1.26 -3.93 118.95 117.44 3i9n s ARG 280 Ca -0.08 -2.09 0.00 0.00 -1.72 0.00 0.00 55.73 51.84 3i9n s ARG 280 Cb 0.14 -2.70 0.59 0.00 -0.45 0.00 0.00 34.95 32.53 3i9n s ARG 280 CO 0.79 -1.10 1.75 -1.35 -0.68 0.00 0.00 175.30 174.70 3i9n h PRO 281 N 6.89 0.56 0.00 3.54 0.11 -1.80 -2.48 132.00 138.82 3i9n h PRO 281 Ca -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3i9n h PRO 281 Cb 0.93 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3i9n h PRO 281 CO 0.55 0.37 -0.40 0.38 -0.21 0.00 0.00 178.00 178.69 3i9n h ASP 282 N 0.57 0.00 -0.54 -2.05 3.04 -1.96 -0.43 116.42 115.06 3i9n h ASP 282 Ca 0.49 -0.02 -0.10 0.00 -3.24 0.00 0.00 57.03 54.16 3i9n h ASP 282 Cb 0.76 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.03 3i9n h ASP 282 CO -0.40 0.01 -0.04 0.50 -2.04 0.00 0.00 179.24 177.27 3i9n h LYS 283 N 0.00 1.00 -0.20 4.15 3.64 -1.91 0.24 116.57 123.49 3i9n h LYS 283 Ca 0.00 -0.32 0.05 0.00 -1.27 0.00 0.00 60.65 59.10 3i9n h LYS 283 Cb 0.96 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.64 3i9n h LYS 283 CO 0.00 1.00 -0.11 0.35 -2.27 0.00 0.00 179.45 178.42 3i9n h PHE 284 N 0.91 -0.27 0.00 1.91 3.57 -1.06 0.22 116.94 122.22 3i9n h PHE 284 Ca 0.16 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 3i9n h PHE 284 Cb 0.58 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3i9n h PHE 284 CO 0.04 -0.17 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.49 3i9n h LEU 285 N -0.10 0.00 0.05 0.59 3.38 -0.94 0.32 115.31 118.62 3i9n h LEU 285 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i9n h LEU 285 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3i9n h LEU 285 CO -0.26 0.39 -0.02 -0.61 0.09 0.00 0.00 178.44 178.03 3i9n h GLN 286 N 0.00 -0.06 -0.27 1.13 4.15 0.18 -1.22 115.11 119.02 3i9n h GLN 286 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 3i9n h GLN 286 Cb 0.80 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 3i9n h GLN 286 CO 0.05 0.12 -0.29 0.00 -1.93 0.00 0.00 178.83 176.78 3i9n h VAL 288 N 0.47 1.33 0.30 0.00 2.07 -0.27 -2.47 116.25 117.69 3i9n h VAL 288 Ca 0.06 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3i9n h VAL 288 Cb 0.74 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3i9n h VAL 288 CO 0.06 0.41 -0.30 0.11 0.02 0.00 0.00 177.57 177.86 3i9n h LYS 289 N 0.13 -0.61 -2.38 1.57 1.57 -1.15 -3.35 116.57 112.34 3i9n h LYS 289 Ca 0.03 0.04 -0.62 0.00 -1.87 0.00 0.00 60.65 58.23 3i9n h LYS 289 Cb 0.73 0.14 -0.41 0.00 0.08 0.00 0.00 32.23 32.77 3i9n h LYS 289 CO 0.05 -0.41 -0.48 0.09 -0.57 0.00 0.00 179.45 178.13 3i9n n ASN 290 N -5.42 3.89 0.00 0.86 3.02 -0.33 -4.93 115.26 112.34 3i9n n ASN 290 Ca -0.09 -3.41 0.00 0.00 -0.03 0.00 0.00 54.58 51.05 3i9n n ASN 290 Cb 0.33 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 3i9n n ASN 290 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3i9n n PRO 291 N 1.05 0.00 -2.47 3.52 -0.04 -0.93 -1.07 135.00 135.05 3i9n n PRO 291 Ca 0.28 0.49 -0.12 0.00 -0.04 0.00 0.00 63.50 64.11 3i9n n PRO 291 Cb 0.40 -1.51 0.03 0.00 -0.04 0.00 0.00 33.50 32.38 3i9n n PRO 291 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i9n n GLU 292 N -1.49 2.56 -2.82 0.54 0.00 -1.26 -4.92 120.64 113.24 3i9n n GLU 292 Ca 0.00 -3.83 -0.41 0.00 0.00 0.00 0.00 57.16 52.92 3i9n n GLU 292 Cb 0.01 -1.89 -0.04 0.00 0.00 0.00 0.00 31.44 29.52 3i9n n GLU 292 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 3i9n s ASP 293 N -3.64 7.34 0.00 -1.84 1.47 -0.24 -4.94 116.67 114.82 3i9n s ASP 293 Ca 0.38 1.61 0.00 0.00 1.18 0.00 0.00 52.55 55.72 3i9n s ASP 293 Cb 0.37 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 40.42 3i9n s ASP 293 CO -0.01 -0.10 0.52 -1.54 0.68 0.00 0.00 175.17 174.71 3i9n n SER 294 N 3.19 0.43 -0.09 2.11 3.41 -1.26 -0.43 113.62 120.98 3i9n n SER 294 Ca 0.02 -1.46 0.14 0.00 -0.26 0.00 0.00 58.87 57.31 3i9n n SER 294 Cb 0.50 -0.21 0.54 0.00 -0.26 0.00 0.00 64.21 64.78 3i9n n SER 294 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i9n n SER 295 N -0.13 0.46 -0.71 4.04 3.41 -1.26 -5.28 113.62 114.15 3i9n n SER 295 Ca 0.00 -0.41 0.09 0.00 -0.26 0.00 0.00 58.87 58.29 3i9n n SER 295 Cb 0.11 -0.07 0.07 0.00 -0.26 0.00 0.00 64.21 64.06 3i9n n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88