#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r45 s PHE 46 N 0.00 3.18 0.17 -1.42 0.08 -1.26 -4.69 117.98 114.03 1r45 s PHE 46 Ca 0.00 -0.06 -0.33 0.00 0.12 0.00 0.00 56.93 56.65 1r45 s PHE 46 Cb 0.00 -2.32 -0.13 0.00 -0.57 0.00 0.00 43.02 40.00 1r45 s PHE 46 CO 0.00 -0.22 1.65 2.41 -0.10 0.00 0.00 175.22 178.96 1r45 n THR 47 N 4.96 0.03 -3.80 0.64 -1.04 -0.52 -4.61 114.28 109.95 1r45 n THR 47 Ca -0.15 -0.01 -0.29 0.00 -2.04 0.00 0.00 64.05 61.56 1r45 n THR 47 Cb 0.52 -1.72 -0.16 0.00 -1.82 0.00 0.00 70.33 67.15 1r45 n THR 47 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1r45 s GLU 48 N 1.16 0.98 0.14 -2.82 2.12 -1.26 -0.31 118.70 118.71 1r45 s GLU 48 Ca 0.78 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.96 1r45 s GLU 48 Cb -0.61 -2.26 -0.07 0.00 0.26 0.00 0.00 34.13 31.45 1r45 s GLU 48 CO 0.36 -0.75 1.21 -0.06 -0.54 0.00 0.00 175.26 175.48 1r45 s PHE 49 N 1.61 3.43 0.00 5.30 0.08 -1.26 -4.90 117.98 122.24 1r45 s PHE 49 Ca 0.01 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.42 1r45 s PHE 49 Cb -0.18 -3.44 0.00 0.00 -0.57 0.00 0.00 43.02 38.84 1r45 s PHE 49 CO -0.13 -1.28 0.67 0.25 -0.10 0.00 0.00 175.22 174.63 1r45 n THR 50 N 3.11 0.44 -4.17 0.64 -2.24 -1.26 -4.66 114.28 106.14 1r45 n THR 50 Ca 0.06 -0.61 -0.19 0.00 -2.27 0.00 0.00 64.05 61.05 1r45 n THR 50 Cb 0.45 0.88 -0.16 0.00 -2.10 0.00 0.00 70.33 69.40 1r45 n THR 50 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1r45 s ASN 51 N -0.44 0.86 0.17 3.42 3.84 -1.26 -5.06 114.94 116.46 1r45 s ASN 51 Ca 0.00 -0.12 -0.15 0.00 0.21 0.00 0.00 52.86 52.80 1r45 s ASN 51 Cb 0.00 -0.38 0.04 0.00 -0.55 0.00 0.00 41.25 40.36 1r45 s ASN 51 CO 0.00 -0.03 1.83 0.58 -2.79 0.00 0.00 177.10 176.68 1r45 h VAL 52 N 5.99 1.12 -0.36 -5.21 2.07 -1.99 -0.74 116.25 117.13 1r45 h VAL 52 Ca -0.38 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 66.98 1r45 h VAL 52 Cb 1.16 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1r45 h VAL 52 CO 0.48 0.12 0.03 -0.33 0.02 0.00 0.00 177.57 177.89 1r45 h GLU 53 N 0.65 0.14 -0.42 1.57 5.08 -1.99 0.14 114.58 119.73 1r45 h GLU 53 Ca 0.17 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1r45 h GLU 53 Cb -0.07 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1r45 h GLU 53 CO -0.04 0.09 0.15 0.93 -1.00 0.00 0.00 179.01 179.14 1r45 h GLU 54 N 0.14 0.65 -0.25 2.33 5.08 -1.95 -1.68 114.58 118.91 1r45 h GLU 54 Ca 0.18 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1r45 h GLU 54 Cb 0.23 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1r45 h GLU 54 CO -0.27 0.62 0.05 0.00 -1.00 0.00 0.00 179.01 178.41 1r45 h ALA 55 N 1.00 0.25 -0.76 3.43 0.00 -0.57 -0.81 119.26 121.80 1r45 h ALA 55 Ca 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1r45 h ALA 55 Cb 0.23 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1r45 h ALA 55 CO -0.01 -0.37 0.27 0.87 0.00 0.00 0.00 179.25 180.02 1r45 h LYS 56 N 0.14 1.15 -0.14 0.00 1.57 -0.86 0.12 116.57 118.55 1r45 h LYS 56 Ca 0.11 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1r45 h LYS 56 Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1r45 h LYS 56 CO -0.15 0.95 0.02 -0.22 -0.57 0.00 0.00 179.45 179.48 1r45 h LYS 57 N 1.11 0.07 -0.19 3.15 3.64 -0.92 0.46 116.57 123.89 1r45 h LYS 57 Ca 0.25 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1r45 h LYS 57 Cb 0.25 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1r45 h LYS 57 CO -0.02 0.05 0.03 2.35 -2.27 0.00 0.00 179.45 179.59 1r45 h TRP 58 N 0.07 0.34 0.16 1.91 7.01 -0.87 -2.35 115.95 122.23 1r45 h TRP 58 Ca 0.07 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1r45 h TRP 58 Cb 0.07 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 1r45 h TRP 58 CO -0.13 0.48 -0.08 0.78 -2.79 0.00 0.00 178.44 176.70 1r45 h GLY 59 N 0.10 -0.23 0.89 2.65 0.00 -0.63 -2.42 103.07 103.43 1r45 h GLY 59 Ca 0.06 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.54 1r45 h GLY 59 CO 0.00 -0.08 0.55 3.43 0.00 0.00 0.00 176.54 180.44 1r45 h ASN 60 N -0.30 0.80 -0.50 0.19 2.35 -0.08 0.59 115.58 118.63 1r45 h ASN 60 Ca -0.02 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1r45 h ASN 60 Cb 0.24 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1r45 h ASN 60 CO 0.04 0.50 -0.01 0.00 -1.65 0.00 0.00 177.43 176.31 1r45 h ALA 61 N 1.55 0.95 -0.21 -0.83 0.00 -1.21 -1.33 119.26 118.18 1r45 h ALA 61 Ca 0.37 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1r45 h ALA 61 Cb 0.27 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r45 h ALA 61 CO -0.14 0.63 -0.32 1.96 0.00 0.00 0.00 179.25 181.38 1r45 h GLN 62 N 0.86 0.59 -0.75 0.00 1.08 -0.82 -3.21 115.11 112.86 1r45 h GLN 62 Ca 0.16 -0.35 0.06 0.00 -1.45 0.00 0.00 58.65 57.06 1r45 h GLN 62 Cb 0.52 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.94 1r45 h GLN 62 CO 0.03 0.96 0.49 -0.92 -0.95 0.00 0.00 178.83 178.44 1r45 h TYR 63 N 0.28 0.82 -0.02 2.96 3.20 -0.63 -1.18 116.97 122.39 1r45 h TYR 63 Ca 0.02 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1r45 h TYR 63 Cb 0.91 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 1r45 h TYR 63 CO 0.09 0.44 0.03 0.87 -1.64 0.00 0.00 178.16 177.95 1r45 h LYS 64 N 0.82 0.00 0.00 1.82 1.79 -1.25 -1.79 116.57 117.97 1r45 h LYS 64 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1r45 h LYS 64 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1r45 h LYS 64 CO -0.11 0.00 -0.41 1.63 -1.08 0.00 0.00 179.45 179.48 1r45 n LYS 65 N -3.94 0.12 -0.07 3.15 5.02 -0.45 -4.33 118.16 117.66 1r45 n LYS 65 Ca -0.02 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 1r45 n LYS 65 Cb 0.11 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.49 1r45 n LYS 65 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1r45 h TYR 66 N 0.00 0.42 -5.17 2.13 0.05 -1.38 -3.48 116.97 109.54 1r45 h TYR 66 Ca 0.00 -0.08 -0.30 0.00 0.05 0.00 0.00 58.73 58.39 1r45 h TYR 66 Cb 0.60 -0.10 0.14 0.00 1.01 0.00 0.00 36.73 38.37 1r45 h TYR 66 CO 0.00 0.61 -0.64 0.41 -1.05 0.00 0.00 178.16 177.49 1r45 n GLY 67 N -0.19 -0.28 3.77 3.88 0.00 -1.26 -4.87 105.19 106.23 1r45 n GLY 67 Ca -0.05 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1r45 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r45 s LEU 68 N -5.99 4.30 0.78 0.99 1.43 -1.26 -4.99 118.68 113.93 1r45 s LEU 68 Ca 0.16 2.77 -0.11 0.00 -1.03 0.00 0.00 54.13 55.92 1r45 s LEU 68 Cb -0.07 -3.77 0.06 0.00 0.03 0.00 0.00 46.19 42.43 1r45 s LEU 68 CO 0.63 -0.78 1.08 -0.94 0.23 0.00 0.00 176.35 176.58 1r45 s SER 69 N -0.51 4.62 0.14 2.29 1.04 -1.26 -4.80 113.70 115.22 1r45 s SER 69 Ca 0.54 1.48 -0.22 0.00 0.48 0.00 0.00 55.95 58.23 1r45 s SER 69 Cb -0.41 -2.24 0.01 0.00 0.10 0.00 0.00 66.02 63.48 1r45 s SER 69 CO 0.54 -1.91 1.65 0.50 0.98 0.00 0.00 173.24 174.99 1r45 h LYS 70 N -1.05 -0.21 -0.43 4.02 3.64 -1.99 0.69 116.57 121.24 1r45 h LYS 70 Ca -0.46 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1r45 h LYS 70 Cb 1.25 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 1r45 h LYS 70 CO 0.57 -0.14 0.19 -1.35 -2.27 0.00 0.00 179.45 176.45 1r45 h PRO 71 N -0.22 0.60 -0.41 1.90 0.11 -1.99 -0.93 132.00 131.05 1r45 h PRO 71 Ca 0.12 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 1r45 h PRO 71 Cb 0.40 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1r45 h PRO 71 CO -0.32 0.48 0.04 0.93 -0.21 0.00 0.00 178.00 178.92 1r45 h GLU 72 N 0.60 0.70 -0.67 1.05 5.08 -1.72 -1.40 114.58 118.23 1r45 h GLU 72 Ca 0.15 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1r45 h GLU 72 Cb 0.09 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1r45 h GLU 72 CO -0.02 0.76 0.15 1.96 -1.00 0.00 0.00 179.01 180.86 1r45 h GLN 73 N 0.55 1.08 -0.68 2.33 4.20 -0.36 -1.49 115.11 120.74 1r45 h GLN 73 Ca 0.12 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1r45 h GLN 73 Cb 0.41 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1r45 h GLN 73 CO 0.01 0.97 0.31 0.93 -0.67 0.00 0.00 178.83 180.38 1r45 h GLU 74 N 1.01 0.99 -0.43 1.46 5.08 -1.02 0.11 114.58 121.78 1r45 h GLU 74 Ca 0.21 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1r45 h GLU 74 Cb 0.39 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1r45 h GLU 74 CO 0.00 0.80 -0.00 0.00 -1.00 0.00 0.00 179.01 178.81 1r45 h ALA 75 N 1.14 0.57 -0.37 3.43 0.00 -1.03 -0.67 119.26 122.33 1r45 h ALA 75 Ca 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1r45 h ALA 75 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1r45 h ALA 75 CO -0.03 0.36 0.12 0.82 0.00 0.00 0.00 179.25 180.53 1r45 h ILE 76 N 0.59 1.21 -0.55 0.00 2.04 -1.12 -0.58 117.51 119.10 1r45 h ILE 76 Ca 0.12 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.33 1r45 h ILE 76 Cb 0.49 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1r45 h ILE 76 CO 0.02 0.23 0.36 0.50 0.00 0.00 0.00 178.15 179.26 1r45 h LYS 77 N 0.45 0.70 -0.59 2.37 3.64 -0.65 0.04 116.57 122.52 1r45 h LYS 77 Ca 0.12 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1r45 h LYS 77 Cb 0.24 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 1r45 h LYS 77 CO -0.01 0.46 0.29 0.35 -2.27 0.00 0.00 179.45 178.27 1r45 h PHE 78 N 0.72 0.52 -0.26 1.91 3.57 -0.88 -1.66 116.94 120.86 1r45 h PHE 78 Ca 0.21 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1r45 h PHE 78 Cb -0.05 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1r45 h PHE 78 CO -0.04 0.22 0.12 -0.92 -2.23 0.00 0.00 178.31 175.46 1r45 h TYR 79 N 0.53 0.22 0.00 0.41 5.03 -0.38 -2.38 116.97 120.41 1r45 h TYR 79 Ca 0.28 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.59 1r45 h TYR 79 Cb 0.23 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.45 1r45 h TYR 79 CO -0.11 0.12 -0.05 1.79 -1.32 0.00 0.00 178.16 178.59 1r45 h THR 80 N 0.26 0.33 -0.45 1.81 1.35 -0.14 -1.74 112.91 114.33 1r45 h THR 80 Ca 0.11 -0.27 -0.08 0.00 -0.55 0.00 0.00 66.41 65.62 1r45 h THR 80 Cb 0.04 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 1r45 h THR 80 CO -0.08 0.04 -0.04 -0.09 -0.25 0.00 0.00 175.52 175.10 1r45 h ARG 81 N 0.00 0.77 -0.69 4.72 2.43 -0.79 -3.41 114.38 117.39 1r45 h ARG 81 Ca -0.00 -0.22 0.07 0.00 -0.81 0.00 0.00 59.98 59.02 1r45 h ARG 81 Cb 0.19 -0.08 -0.19 0.00 -0.42 0.00 0.00 29.97 29.47 1r45 h ARG 81 CO 0.01 0.80 -0.27 0.34 -1.51 0.00 0.00 179.97 179.34 1r45 s ASP 82 N -6.67 -1.11 0.50 -3.80 -1.08 -0.98 -5.04 116.67 98.49 1r45 s ASP 82 Ca -0.09 -0.15 0.23 0.00 -0.52 0.00 0.00 52.55 52.02 1r45 s ASP 82 Cb 0.14 1.57 1.30 0.00 -1.46 0.00 0.00 42.92 44.48 1r45 s ASP 82 CO 0.81 -0.17 2.05 0.00 0.52 0.00 0.00 175.17 178.38 1r45 h ALA 83 N 7.15 1.42 0.00 3.66 0.00 -1.57 -2.45 119.26 127.47 1r45 h ALA 83 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1r45 h ALA 83 Cb 1.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1r45 h ALA 83 CO 0.04 0.18 -0.01 0.66 0.00 0.00 0.00 179.25 180.13 1r45 h SER 84 N 0.00 0.00 0.69 0.00 4.64 -1.96 0.13 113.55 117.05 1r45 h SER 84 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1r45 h SER 84 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1r45 h SER 84 CO 0.02 0.01 -0.02 0.11 -0.87 0.00 0.00 176.83 176.07 1r45 h LYS 85 N 0.00 0.00 0.00 4.77 1.79 -1.80 0.12 116.57 121.45 1r45 h LYS 85 Ca -0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 1r45 h LYS 85 Cb 0.01 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1r45 h LYS 85 CO 0.00 0.02 -1.35 -0.89 -1.08 0.00 0.00 179.45 176.15 1r45 n ILE 86 N -3.16 1.28 -0.08 1.86 2.08 -0.33 -4.54 119.36 116.48 1r45 n ILE 86 Ca -0.01 -0.01 -0.03 0.00 0.56 0.00 0.00 62.75 63.27 1r45 n ILE 86 Cb 0.25 -1.98 0.20 0.00 -0.75 0.00 0.00 39.64 37.37 1r45 n ILE 86 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1r45 h ASN 87 N -0.72 0.68 0.20 4.38 2.35 -0.87 -2.10 115.58 119.50 1r45 h ASN 87 Ca -0.23 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.39 1r45 h ASN 87 Cb 1.05 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.20 1r45 h ASN 87 CO -0.14 0.74 -0.39 1.23 -1.65 0.00 0.00 177.43 177.22 1r45 h GLY 88 N 0.94 -0.81 0.71 2.83 0.00 -0.94 -0.36 103.07 105.45 1r45 h GLY 88 Ca 0.14 0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.97 1r45 h GLY 88 CO 0.01 -0.28 0.30 -2.55 0.00 0.00 0.00 176.54 174.02 1r45 h PRO 89 N -0.67 0.55 -0.58 4.80 0.11 -1.71 -1.50 132.00 133.00 1r45 h PRO 89 Ca 0.01 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.17 1r45 h PRO 89 Cb 0.67 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.59 1r45 h PRO 89 CO -0.17 0.37 0.23 -0.07 -0.21 0.00 0.00 178.00 178.14 1r45 h LEU 90 N 0.57 0.25 -0.40 2.35 3.38 -1.12 -0.54 115.31 119.80 1r45 h LEU 90 Ca 0.25 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 58.15 1r45 h LEU 90 Cb 0.15 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1r45 h LEU 90 CO -0.16 0.16 -0.28 0.03 0.09 0.00 0.00 178.44 178.27 1r45 h ARG 91 N 0.43 0.90 -0.97 1.13 3.08 -0.93 -0.84 114.38 117.17 1r45 h ARG 91 Ca 0.29 -0.43 0.07 0.00 0.07 0.00 0.00 59.98 59.97 1r45 h ARG 91 Cb 0.32 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.30 1r45 h ARG 91 CO -0.27 1.08 0.62 0.00 -1.07 0.00 0.00 179.97 180.34 1r45 h ALA 92 N 0.80 1.35 -0.39 0.04 0.00 -0.82 -1.90 119.26 118.34 1r45 h ALA 92 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1r45 h ALA 92 Cb 0.86 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1r45 h ALA 92 CO 0.08 0.40 0.00 0.09 0.00 0.00 0.00 179.25 179.82 1r45 n ASN 93 N -4.53 2.93 -3.89 0.00 3.02 -0.25 -4.91 115.26 107.62 1r45 n ASN 93 Ca 0.15 -2.23 -0.29 0.00 -0.03 0.00 0.00 54.58 52.18 1r45 n ASN 93 Cb 0.19 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 1r45 n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r45 n GLN 94 N 0.59 -0.86 -0.23 3.52 6.02 -0.71 -0.27 117.38 125.43 1r45 n GLN 94 Ca 0.15 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1r45 n GLN 94 Cb 0.55 -3.22 0.00 0.00 1.02 0.00 0.00 30.24 28.59 1r45 n GLN 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r45 n GLY 95 N -1.59 1.58 3.57 1.08 0.00 -0.36 -4.99 105.19 104.47 1r45 n GLY 95 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1r45 n GLY 95 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r45 s ASN 96 N -3.21 5.96 0.44 1.61 2.47 0.63 -4.85 114.94 117.99 1r45 s ASN 96 Ca 0.00 0.20 0.12 0.00 0.42 0.00 0.00 52.86 53.59 1r45 s ASN 96 Cb 0.00 -2.54 1.00 0.00 -1.45 0.00 0.00 41.25 38.26 1r45 s ASN 96 CO 0.00 -1.86 2.04 -0.33 -3.72 0.00 0.00 177.10 173.23 1r45 h GLU 97 N 11.68 0.39 -0.27 0.43 5.08 -1.94 -1.25 114.58 128.70 1r45 h GLU 97 Ca -0.27 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.14 1r45 h GLU 97 Cb 1.10 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1r45 h GLU 97 CO 1.20 0.26 0.29 -0.91 -1.00 0.00 0.00 179.01 178.85 1r45 h ASN 98 N 0.40 0.00 0.39 1.42 -0.26 -1.97 -1.52 115.58 114.04 1r45 h ASN 98 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1r45 h ASN 98 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1r45 h ASN 98 CO -0.04 0.00 -0.63 0.61 -1.06 0.00 0.00 177.43 176.31 1r45 n GLY 99 N -1.44 -1.19 3.78 2.83 0.00 -0.47 -4.94 105.19 103.75 1r45 n GLY 99 Ca 0.04 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1r45 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r45 s LEU 100 N -3.04 4.08 0.51 0.99 1.43 -0.57 -5.01 118.68 117.06 1r45 s LEU 100 Ca 0.10 2.19 -0.22 0.00 -1.03 0.00 0.00 54.13 55.17 1r45 s LEU 100 Cb 0.17 -4.20 -0.07 0.00 0.03 0.00 0.00 46.19 42.12 1r45 s LEU 100 CO 0.74 -0.70 1.09 -2.65 0.23 0.00 0.00 176.35 175.05 1r45 n PRO 101 N -0.26 1.34 -0.22 1.29 -0.02 -1.26 -4.71 135.00 131.16 1r45 n PRO 101 Ca 0.06 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1r45 n PRO 101 Cb 0.49 -2.23 0.12 0.00 -0.02 0.00 0.00 33.50 31.86 1r45 n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r45 h ALA 102 N 1.23 0.86 -0.41 3.55 0.00 -1.96 0.18 119.26 122.70 1r45 h ALA 102 Ca -0.47 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1r45 h ALA 102 Cb 1.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1r45 h ALA 102 CO 0.55 -0.13 -0.22 0.38 0.00 0.00 0.00 179.25 179.82 1r45 h ASP 103 N 0.49 0.90 -0.71 0.00 2.03 -2.00 -0.51 116.42 116.63 1r45 h ASP 103 Ca 0.32 -0.41 -0.07 0.00 -0.73 0.00 0.00 57.03 56.14 1r45 h ASP 103 Cb 0.37 -0.25 -0.03 0.00 -0.83 0.00 0.00 39.33 38.59 1r45 h ASP 103 CO -0.29 1.12 0.19 0.40 -1.03 0.00 0.00 179.24 179.63 1r45 h ILE 104 N 0.69 1.26 -0.80 4.15 1.08 -1.81 -2.23 117.51 119.85 1r45 h ILE 104 Ca 0.09 -0.95 -0.01 0.00 -0.39 0.00 0.00 64.86 63.60 1r45 h ILE 104 Cb 0.79 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 1r45 h ILE 104 CO 0.07 0.37 0.47 0.25 -0.69 0.00 0.00 178.15 178.62 1r45 h LEU 105 N 1.07 0.97 -0.73 1.44 5.85 -0.32 0.59 115.31 124.18 1r45 h LEU 105 Ca 0.23 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1r45 h LEU 105 Cb 0.35 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1r45 h LEU 105 CO -0.00 0.76 0.28 -0.61 -0.34 0.00 0.00 178.44 178.53 1r45 h GLN 106 N 1.10 1.10 -0.16 1.25 5.75 -0.77 -0.48 115.11 122.90 1r45 h GLN 106 Ca 0.28 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1r45 h GLN 106 Cb -0.02 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.34 1r45 h GLN 106 CO -0.05 0.90 -0.00 0.87 -2.65 0.00 0.00 178.83 177.90 1r45 h LYS 107 N 1.05 0.28 -0.71 1.69 1.57 -0.95 -2.48 116.57 117.03 1r45 h LYS 107 Ca 0.24 -0.09 0.09 0.00 -1.87 0.00 0.00 60.65 59.02 1r45 h LYS 107 Cb 0.22 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 1r45 h LYS 107 CO -0.02 0.51 0.36 0.28 -0.57 0.00 0.00 179.45 180.02 1r45 h VAL 108 N 0.02 0.87 -0.73 0.50 2.07 -0.71 0.22 116.25 118.49 1r45 h VAL 108 Ca 0.04 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1r45 h VAL 108 Cb 0.39 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 1r45 h VAL 108 CO 0.01 0.11 0.42 0.11 0.02 0.00 0.00 177.57 178.24 1r45 h LYS 109 N 0.62 0.73 -0.32 1.57 1.57 -0.94 0.03 116.57 119.83 1r45 h LYS 109 Ca 0.34 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.96 1r45 h LYS 109 Cb 0.34 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1r45 h LYS 109 CO -0.25 0.48 -0.28 -0.07 -0.57 0.00 0.00 179.45 178.75 1r45 h LEU 110 N 0.75 0.81 -0.51 2.94 3.38 -0.89 -1.19 115.31 120.59 1r45 h LEU 110 Ca 0.34 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1r45 h LEU 110 Cb 0.23 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1r45 h LEU 110 CO -0.20 1.10 0.15 0.40 0.09 0.00 0.00 178.44 179.97 1r45 h ILE 111 N 0.53 1.23 -0.57 1.22 2.04 -0.77 -1.41 117.51 119.78 1r45 h ILE 111 Ca 0.06 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.18 1r45 h ILE 111 Cb 0.85 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1r45 h ILE 111 CO 0.07 0.29 0.28 0.44 0.00 0.00 0.00 178.15 179.23 1r45 h ASP 112 N 0.69 0.38 -0.46 1.72 3.32 -0.87 -1.80 116.42 119.41 1r45 h ASP 112 Ca 0.16 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1r45 h ASP 112 Cb 0.29 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1r45 h ASP 112 CO -0.00 0.25 0.18 1.56 -1.72 0.00 0.00 179.24 179.51 1r45 h GLN 113 N 0.52 0.75 0.00 3.56 4.20 -0.82 -2.69 115.11 120.63 1r45 h GLN 113 Ca 0.26 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1r45 h GLN 113 Cb 0.20 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1r45 h GLN 113 CO -0.20 0.63 -0.01 0.66 -0.67 0.00 0.00 178.83 179.24 1r45 h SER 114 N 0.73 0.00 0.60 1.46 4.64 -0.35 -1.72 113.55 118.91 1r45 h SER 114 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1r45 h SER 114 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1r45 h SER 114 CO -0.01 0.01 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 1r45 n PHE 115 N -3.88 0.59 0.29 4.77 3.72 -1.01 -1.43 117.46 120.52 1r45 n PHE 115 Ca -0.03 0.24 0.17 0.00 -0.05 0.00 0.00 57.45 57.78 1r45 n PHE 115 Cb 0.10 -0.89 0.83 0.00 -0.94 0.00 0.00 39.48 38.58 1r45 n PHE 115 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1r45 h SER 116 N 0.00 0.00 -0.00 4.37 4.64 -1.50 -2.49 113.55 118.57 1r45 h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r45 h SER 116 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1r45 h SER 116 CO 0.00 0.00 -0.55 0.29 -0.87 0.00 0.00 176.83 175.70 1r45 n LYS 117 N -2.75 1.99 -3.91 4.77 5.02 -0.51 -4.93 118.16 117.84 1r45 n LYS 117 Ca -0.01 -0.31 -0.30 0.00 -2.02 0.00 0.00 58.31 55.67 1r45 n LYS 117 Cb 0.14 -1.22 -0.15 0.00 -0.02 0.00 0.00 35.03 33.78 1r45 n LYS 117 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1r45 s MET 118 N -2.17 1.43 0.08 1.97 -1.94 -0.94 -4.61 119.30 113.12 1r45 s MET 118 Ca 0.08 -1.06 0.05 0.00 -1.71 0.00 0.00 55.69 53.05 1r45 s MET 118 Cb 0.12 -2.55 -0.03 0.00 2.01 0.00 0.00 34.83 34.37 1r45 s MET 118 CO 0.52 -0.69 -0.14 0.15 -0.01 0.00 0.00 175.02 174.85 1r45 s LYS 119 N 1.40 0.84 0.09 2.03 -0.14 -1.11 -1.13 119.74 121.72 1r45 s LYS 119 Ca -0.02 -1.00 -0.31 0.00 -1.36 0.00 0.00 55.97 53.29 1r45 s LYS 119 Cb -0.19 -0.81 -0.08 0.00 -1.68 0.00 0.00 37.83 35.08 1r45 s LYS 119 CO -0.09 0.17 1.42 -1.64 -0.76 0.00 0.00 175.35 174.46 1r45 s MET 120 N -1.91 4.30 0.00 1.68 -1.94 0.22 -4.82 119.30 116.82 1r45 s MET 120 Ca -0.00 2.09 0.17 0.00 -1.71 0.00 0.00 55.69 56.24 1r45 s MET 120 Cb -0.09 -3.34 0.66 0.00 2.01 0.00 0.00 34.83 34.06 1r45 s MET 120 CO 0.02 -0.50 1.48 -0.35 -0.01 0.00 0.00 175.02 175.66 1r45 n PRO 121 N 4.39 1.65 -3.48 2.03 -0.04 -1.26 0.12 135.00 138.40 1r45 n PRO 121 Ca 0.12 -0.98 -0.13 0.00 -0.04 0.00 0.00 63.50 62.47 1r45 n PRO 121 Cb 0.42 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 1r45 n PRO 121 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1r45 s GLN 122 N -1.76 1.07 0.16 0.54 -2.07 -1.26 -4.88 119.66 111.46 1r45 s GLN 122 Ca 0.29 -0.15 -0.33 0.00 -1.82 0.00 0.00 55.36 53.34 1r45 s GLN 122 Cb 0.15 0.50 -0.13 0.00 -1.09 0.00 0.00 33.01 32.43 1r45 s GLN 122 CO 0.22 -0.42 1.63 0.09 -1.32 0.00 0.00 175.29 175.50 1r45 n ASN 123 N 0.15 3.37 -3.78 12.60 3.02 -1.26 -3.85 115.26 125.51 1r45 n ASN 123 Ca -0.16 1.07 -0.13 0.00 -0.03 0.00 0.00 54.58 55.34 1r45 n ASN 123 Cb 0.61 -1.47 -0.09 0.00 -0.61 0.00 0.00 39.78 38.23 1r45 n ASN 123 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1r45 s ILE 124 N 1.13 0.07 -0.17 2.41 2.07 -0.02 -1.43 121.20 125.26 1r45 s ILE 124 Ca 0.78 -0.55 -0.14 0.00 -1.41 0.00 0.00 60.65 59.33 1r45 s ILE 124 Cb -0.63 -0.64 -0.05 0.00 0.13 0.00 0.00 42.46 41.28 1r45 s ILE 124 CO 0.37 -0.31 0.30 -0.63 -1.91 0.00 0.00 174.94 172.77 1r45 s ILE 125 N -1.54 5.29 0.16 2.00 -1.09 0.58 -0.30 121.20 126.31 1r45 s ILE 125 Ca -0.12 0.56 0.11 0.00 -2.23 0.00 0.00 60.65 58.97 1r45 s ILE 125 Cb -0.05 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1r45 s ILE 125 CO 0.03 0.37 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.11 1r45 s LEU 126 N 0.59 2.39 0.12 2.97 1.43 -0.61 -4.77 118.68 120.80 1r45 s LEU 126 Ca 0.17 -0.82 0.08 0.00 -1.03 0.00 0.00 54.13 52.52 1r45 s LEU 126 Cb -0.13 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1r45 s LEU 126 CO 0.04 0.11 -0.18 -0.36 0.23 0.00 0.00 176.35 176.19 1r45 s PHE 127 N -1.50 1.66 0.04 0.29 0.08 -0.23 -0.16 117.98 118.16 1r45 s PHE 127 Ca 0.17 -0.46 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 1r45 s PHE 127 Cb -0.08 -0.89 -0.03 0.00 -0.57 0.00 0.00 43.02 41.45 1r45 s PHE 127 CO 0.08 0.21 -0.02 0.50 -0.10 0.00 0.00 175.22 175.89 1r45 s ARG 128 N -2.20 0.50 0.12 0.44 3.52 -0.25 0.36 118.95 121.44 1r45 s ARG 128 Ca 0.08 -0.96 0.11 0.00 -0.13 0.00 0.00 55.73 54.82 1r45 s ARG 128 Cb -0.08 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 1r45 s ARG 128 CO 0.04 -0.09 -0.26 0.20 -0.81 0.00 0.00 175.30 174.38 1r45 s GLY 129 N -2.33 1.58 0.07 8.12 0.00 -1.26 -1.51 107.32 112.00 1r45 s GLY 129 Ca -0.02 -1.44 -0.06 0.00 0.00 0.00 0.00 44.72 43.19 1r45 s GLY 129 CO -0.06 -1.41 0.11 0.99 0.00 0.00 0.00 173.10 172.73 1r45 s ASP 130 N -2.01 0.24 0.41 1.64 1.01 0.96 -4.98 116.67 113.93 1r45 s ASP 130 Ca 0.14 -0.74 0.08 0.00 0.71 0.00 0.00 52.55 52.74 1r45 s ASP 130 Cb -0.10 0.29 -0.01 0.00 1.01 0.00 0.00 42.92 44.11 1r45 s ASP 130 CO 0.06 -0.66 0.47 -1.81 0.21 0.00 0.00 175.17 173.43 1r45 s ASP 131 N -2.79 5.38 0.55 0.27 1.01 -1.26 -2.08 116.67 117.75 1r45 s ASP 131 Ca 0.04 -0.56 0.27 0.00 0.71 0.00 0.00 52.55 53.01 1r45 s ASP 131 Cb 0.05 -0.66 1.45 0.00 1.01 0.00 0.00 42.92 44.77 1r45 s ASP 131 CO -0.10 -0.68 1.98 -0.65 0.21 0.00 0.00 175.17 175.93 1r45 h PRO 132 N 0.85 0.00 -0.22 8.23 0.11 -1.96 -1.19 132.00 137.82 1r45 h PRO 132 Ca -0.41 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.76 1r45 h PRO 132 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1r45 h PRO 132 CO 0.52 0.00 0.23 0.00 -0.21 0.00 0.00 178.00 178.54 1r45 h ALA 133 N 1.66 1.88 -0.84 -0.75 0.00 -1.89 -0.85 119.26 118.48 1r45 h ALA 133 Ca 0.25 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.34 1r45 h ALA 133 Cb 1.08 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1r45 h ALA 133 CO -0.00 -0.35 0.56 -0.92 0.00 0.00 0.00 179.25 178.54 1r45 h TYR 134 N 0.00 0.47 -0.00 0.00 3.20 -1.61 -0.59 116.97 118.44 1r45 h TYR 134 Ca 0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1r45 h TYR 134 Cb 0.57 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1r45 h TYR 134 CO 0.00 0.14 -0.00 1.28 -1.64 0.00 0.00 178.16 177.94 1r45 n LEU 135 N -4.48 0.00 0.00 2.82 4.77 -0.32 -5.01 117.00 114.78 1r45 n LEU 135 Ca 0.17 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1r45 n LEU 135 Cb 0.66 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1r45 n LEU 135 CO 0.32 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1r45 n GLY 136 N 1.42 2.10 0.29 -0.72 0.00 -0.23 -4.54 105.19 103.51 1r45 n GLY 136 Ca 0.10 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.31 1r45 n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r45 h PRO 137 N 0.00 0.00 0.00 1.61 0.13 -1.93 -0.37 132.00 131.45 1r45 h PRO 137 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1r45 h PRO 137 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1r45 h PRO 137 CO 0.00 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.92 1r45 n GLU 138 N -4.34 0.09 0.00 0.86 0.00 -1.26 -3.82 120.64 112.17 1r45 n GLU 138 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1r45 n GLU 138 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.12 1r45 n GLU 138 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1r45 n PHE 139 N -1.44 0.00 -0.16 -1.84 3.72 -0.36 -4.78 117.46 112.60 1r45 n PHE 139 Ca 0.06 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.62 1r45 n PHE 139 Cb 0.21 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.27 1r45 n PHE 139 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1r45 h GLN 140 N 0.00 0.37 -0.07 -1.08 3.07 -1.23 -0.15 115.11 116.02 1r45 h GLN 140 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1r45 h GLN 140 Cb 0.48 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.96 1r45 h GLN 140 CO 0.00 0.25 0.00 -0.25 0.09 0.00 0.00 178.83 178.92 1r45 n ASP 141 N -4.47 2.82 -0.02 0.06 8.00 -1.26 -4.43 116.55 117.25 1r45 n ASP 141 Ca 0.14 -1.93 -0.02 0.00 0.71 0.00 0.00 54.79 53.70 1r45 n ASP 141 Cb 0.55 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.58 1r45 n ASP 141 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1r45 n LYS 142 N 1.19 2.65 0.18 -1.24 5.02 -0.23 -4.76 118.16 120.97 1r45 n LYS 142 Ca 0.15 -0.01 0.03 0.00 -2.02 0.00 0.00 58.31 56.46 1r45 n LYS 142 Cb 0.56 -1.13 0.35 0.00 -0.02 0.00 0.00 35.03 34.79 1r45 n LYS 142 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1r45 h ILE 143 N 0.00 1.19 -3.26 -0.18 6.09 -1.34 -3.42 117.51 116.60 1r45 h ILE 143 Ca -0.11 -1.40 -0.59 0.00 -1.37 0.00 0.00 64.86 61.38 1r45 h ILE 143 Cb 1.12 1.78 -0.10 0.00 0.47 0.00 0.00 36.82 40.09 1r45 h ILE 143 CO 0.01 0.39 -0.36 -0.76 -3.07 0.00 0.00 178.15 174.35 1r45 s LEU 144 N -7.86 4.25 0.87 2.19 1.43 -1.26 -0.16 118.68 118.14 1r45 s LEU 144 Ca -0.02 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1r45 s LEU 144 Cb 0.14 -2.31 0.12 0.00 0.03 0.00 0.00 46.19 44.17 1r45 s LEU 144 CO 0.72 0.13 1.10 0.20 0.23 0.00 0.00 176.35 178.73 1r45 s ASN 145 N 0.35 3.56 0.47 2.29 0.01 0.76 -4.82 114.94 117.56 1r45 s ASN 145 Ca 0.15 1.76 0.13 0.00 -0.71 0.00 0.00 52.86 54.19 1r45 s ASN 145 Cb -0.13 -2.40 1.10 0.00 0.41 0.00 0.00 41.25 40.24 1r45 s ASN 145 CO 0.03 -2.63 2.10 0.50 -1.51 0.00 0.00 177.10 175.59 1r45 h LYS 146 N -1.54 0.23 -0.25 -0.60 3.64 -1.98 -1.15 116.57 114.92 1r45 h LYS 146 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1r45 h LYS 146 Cb 1.26 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1r45 h LYS 146 CO 0.50 0.15 0.00 -0.40 -2.27 0.00 0.00 179.45 177.43 1r45 n ASP 147 N -4.51 1.20 0.00 4.20 5.68 -1.26 -4.87 116.55 116.99 1r45 n ASP 147 Ca 0.00 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1r45 n ASP 147 Cb 0.10 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1r45 n ASP 147 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r45 n GLY 148 N 0.80 1.13 3.91 6.12 0.00 -0.43 -5.03 105.19 111.67 1r45 n GLY 148 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1r45 n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r45 s THR 149 N -3.57 3.72 0.06 2.61 -4.23 -1.26 -4.65 115.64 108.31 1r45 s THR 149 Ca 0.00 0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 60.37 1r45 s THR 149 Cb 0.00 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.29 1r45 s THR 149 CO 0.00 -0.55 1.12 -0.63 -0.54 0.00 0.00 174.62 174.02 1r45 s ILE 150 N -3.08 4.27 -0.30 2.99 -1.09 -0.03 -0.17 121.20 123.80 1r45 s ILE 150 Ca 0.55 1.66 -0.29 0.00 -2.23 0.00 0.00 60.65 60.34 1r45 s ILE 150 Cb -0.11 -4.07 -0.01 0.00 -1.58 0.00 0.00 42.46 36.69 1r45 s ILE 150 CO 0.47 0.15 1.60 0.21 -1.23 0.00 0.00 174.94 176.14 1r45 s ASN 151 N 0.91 6.25 0.15 3.58 3.84 0.78 -4.78 114.94 125.68 1r45 s ASN 151 Ca 0.56 1.33 -0.12 0.00 0.21 0.00 0.00 52.86 54.83 1r45 s ASN 151 Cb -0.27 -2.53 0.03 0.00 -0.55 0.00 0.00 41.25 37.93 1r45 s ASN 151 CO 0.29 -1.42 1.63 0.11 -2.79 0.00 0.00 177.10 174.93 1r45 h LYS 152 N 11.26 0.88 -0.24 0.43 1.57 -1.93 0.79 116.57 129.32 1r45 h LYS 152 Ca -0.32 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.05 1r45 h LYS 152 Cb 1.14 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1r45 h LYS 152 CO 1.03 0.87 -0.50 1.79 -0.57 0.00 0.00 179.45 182.08 1r45 h THR 153 N 0.76 1.30 -0.33 -0.16 1.35 -1.99 -2.17 112.91 111.67 1r45 h THR 153 Ca 0.16 -1.71 -0.10 0.00 -0.55 0.00 0.00 66.41 64.21 1r45 h THR 153 Cb 0.44 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 1r45 h THR 153 CO 0.01 0.54 -0.19 0.58 -0.25 0.00 0.00 175.52 176.21 1r45 h VAL 154 N 0.53 1.26 -0.69 6.82 2.07 -1.86 -2.28 116.25 122.09 1r45 h VAL 154 Ca 0.02 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.34 1r45 h VAL 154 Cb 1.05 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1r45 h VAL 154 CO 0.10 0.40 0.45 0.15 0.02 0.00 0.00 177.57 178.70 1r45 h PHE 155 N 0.55 0.83 -0.51 1.57 3.57 -0.53 0.12 116.94 122.52 1r45 h PHE 155 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1r45 h PHE 155 Cb 0.64 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1r45 h PHE 155 CO 0.03 0.50 0.26 0.93 -2.23 0.00 0.00 178.31 177.80 1r45 h GLU 156 N 0.87 0.70 -0.30 1.11 4.39 -0.82 -0.31 114.58 120.23 1r45 h GLU 156 Ca 0.26 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.73 1r45 h GLU 156 Cb -0.01 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1r45 h GLU 156 CO -0.07 0.53 -0.47 1.96 -1.16 0.00 0.00 179.01 179.80 1r45 h GLN 157 N 0.71 0.80 -0.66 2.33 4.20 -0.71 -1.53 115.11 120.26 1r45 h GLN 157 Ca 0.18 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1r45 h GLN 157 Cb 0.04 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1r45 h GLN 157 CO -0.03 1.09 0.36 0.28 -0.67 0.00 0.00 178.83 179.86 1r45 h VAL 158 N 0.63 1.21 -0.58 -0.54 2.07 -0.34 -1.94 116.25 116.76 1r45 h VAL 158 Ca 0.03 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1r45 h VAL 158 Cb 1.05 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1r45 h VAL 158 CO 0.10 0.23 0.13 0.11 0.02 0.00 0.00 177.57 178.17 1r45 h LYS 159 N 0.90 0.93 -0.76 1.57 1.57 -0.91 0.41 116.57 120.28 1r45 h LYS 159 Ca 0.23 -0.23 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1r45 h LYS 159 Cb 0.05 -0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.13 1r45 h LYS 159 CO -0.04 0.86 0.25 0.00 -0.57 0.00 0.00 179.45 179.96 1r45 h ALA 160 N 1.02 1.05 -0.01 3.86 0.00 -0.71 0.16 119.26 124.64 1r45 h ALA 160 Ca 0.18 0.15 -0.22 0.00 0.00 0.00 0.00 54.91 55.02 1r45 h ALA 160 Cb 0.36 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1r45 h ALA 160 CO 0.00 -0.29 -0.92 -0.22 0.00 0.00 0.00 179.25 177.82 1r45 h LYS 161 N 0.35 0.39 0.00 0.00 3.64 -0.64 -3.40 116.57 116.92 1r45 h LYS 161 Ca 0.43 -0.42 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1r45 h LYS 161 Cb 0.72 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1r45 h LYS 161 CO -0.47 1.09 -1.56 1.19 -2.27 0.00 0.00 179.45 177.42 1r45 n PHE 162 N -3.74 0.00 -2.45 1.91 3.01 0.07 -4.93 117.46 111.32 1r45 n PHE 162 Ca -0.06 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.99 1r45 n PHE 162 Cb 0.82 -0.40 -0.04 0.00 -0.01 0.00 0.00 39.48 39.85 1r45 n PHE 162 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1r45 s LEU 163 N -4.67 4.49 -1.46 4.37 2.96 0.54 -3.24 118.68 121.66 1r45 s LEU 163 Ca -0.05 2.19 -0.10 0.00 -0.22 0.00 0.00 54.13 55.96 1r45 s LEU 163 Cb 0.03 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.15 1r45 s LEU 163 CO 0.33 -0.26 0.86 0.29 -1.32 0.00 0.00 176.35 176.25 1r45 n LYS 164 N 2.10 -5.64 -4.04 1.98 5.02 0.14 -4.93 118.16 112.80 1r45 n LYS 164 Ca 0.02 0.71 -0.08 0.00 -2.02 0.00 0.00 58.31 56.95 1r45 n LYS 164 Cb 0.45 -5.61 -0.10 0.00 -0.02 0.00 0.00 35.03 29.75 1r45 n LYS 164 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1r45 s LYS 165 N -6.23 0.49 0.43 1.97 1.02 -1.20 -4.96 119.74 111.27 1r45 s LYS 165 Ca 0.52 -0.97 -0.22 0.00 0.02 0.00 0.00 55.97 55.31 1r45 s LYS 165 Cb -0.25 0.17 -0.09 0.00 -0.52 0.00 0.00 37.83 37.14 1r45 s LYS 165 CO 0.64 -0.09 1.03 -0.51 -0.92 0.00 0.00 175.35 175.50 1r45 s ASP 166 N -2.34 6.65 0.03 2.83 1.01 -1.26 -2.02 116.67 121.58 1r45 s ASP 166 Ca -0.02 1.96 0.06 0.00 0.71 0.00 0.00 52.55 55.26 1r45 s ASP 166 Cb 0.01 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1r45 s ASP 166 CO -0.06 -0.57 -0.18 -0.60 0.21 0.00 0.00 175.17 173.97 1r45 s ARG 167 N -2.80 1.21 -0.07 8.23 3.52 -0.03 -4.96 118.95 124.06 1r45 s ARG 167 Ca 0.61 -0.82 0.04 0.00 -0.13 0.00 0.00 55.73 55.43 1r45 s ARG 167 Cb -0.19 -1.27 0.00 0.00 -1.56 0.00 0.00 34.95 31.94 1r45 s ARG 167 CO 0.23 0.32 -0.19 0.99 -0.81 0.00 0.00 175.30 175.85 1r45 s THR 168 N -0.76 1.61 -0.09 4.11 2.01 -1.26 -0.83 115.64 120.43 1r45 s THR 168 Ca 0.05 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 1r45 s THR 168 Cb -0.08 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1r45 s THR 168 CO 0.01 0.46 0.01 -1.61 -0.69 0.00 0.00 174.62 172.81 1r45 s GLU 169 N 0.27 3.03 0.19 4.92 2.02 -1.04 -4.96 118.70 123.14 1r45 s GLU 169 Ca -0.11 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 54.52 1r45 s GLU 169 Cb -0.15 -2.83 0.10 0.00 0.10 0.00 0.00 34.13 31.35 1r45 s GLU 169 CO 0.05 0.71 1.46 1.88 0.02 0.00 0.00 175.26 179.37 1r45 h TYR 170 N 5.15 0.38 -4.01 1.61 0.05 -1.91 0.96 116.97 119.19 1r45 h TYR 170 Ca -0.51 -0.17 -0.46 0.00 0.05 0.00 0.00 58.73 57.63 1r45 h TYR 170 Cb 1.20 -0.06 0.09 0.00 1.01 0.00 0.00 36.73 38.97 1r45 h TYR 170 CO 0.64 0.92 0.30 0.20 -1.05 0.00 0.00 178.16 179.17 1r45 s GLY 171 N -4.39 1.66 0.76 3.88 0.00 -1.26 -3.84 107.32 104.13 1r45 s GLY 171 Ca -0.04 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.69 1r45 s GLY 171 CO 0.82 -0.42 1.09 -0.19 0.00 0.00 0.00 173.10 174.41 1r45 s TYR 172 N -3.39 2.59 -0.32 1.90 2.02 -1.26 -3.93 117.35 114.97 1r45 s TYR 172 Ca 0.62 1.55 -0.06 0.00 -0.37 0.00 0.00 57.07 58.81 1r45 s TYR 172 Cb -0.10 -3.06 0.02 0.00 -0.40 0.00 0.00 41.96 38.42 1r45 s TYR 172 CO 0.47 -1.77 0.09 0.42 -1.57 0.00 0.00 175.55 173.18 1r45 s ILE 173 N -2.83 3.83 -0.09 2.71 1.01 -0.93 -4.93 121.20 119.97 1r45 s ILE 173 Ca 0.62 -0.93 -0.24 0.00 0.00 0.00 0.00 60.65 60.10 1r45 s ILE 173 Cb -0.18 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 1r45 s ILE 173 CO 0.54 -0.05 0.74 -0.44 0.00 0.00 0.00 174.94 175.74 1r45 s SER 174 N 1.44 6.99 0.38 3.58 0.01 -1.26 -1.02 113.70 123.82 1r45 s SER 174 Ca 0.00 1.19 0.04 0.00 1.31 0.00 0.00 55.95 58.49 1r45 s SER 174 Cb -0.18 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1r45 s SER 174 CO 0.02 -0.20 0.12 0.42 0.41 0.00 0.00 173.24 174.01 1r45 s THR 175 N 1.17 0.70 0.12 1.44 -4.23 -0.28 -4.78 115.64 109.79 1r45 s THR 175 Ca 0.38 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.94 1r45 s THR 175 Cb -0.18 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1r45 s THR 175 CO 0.17 0.00 -0.13 -0.55 -0.54 0.00 0.00 174.62 173.57 1r45 s SER 176 N -3.57 1.87 0.58 3.99 0.15 0.16 -1.09 113.70 115.79 1r45 s SER 176 Ca 0.27 -0.83 0.35 0.00 0.70 0.00 0.00 55.95 56.43 1r45 s SER 176 Cb 0.04 -0.05 1.79 0.00 -1.71 0.00 0.00 66.02 66.09 1r45 s SER 176 CO 0.15 -0.19 2.17 -0.07 1.20 0.00 0.00 173.24 176.49 1r45 h LEU 177 N 3.43 0.00 -8.81 3.45 3.38 -1.64 -0.59 115.31 114.54 1r45 h LEU 177 Ca -0.39 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.03 1r45 h LEU 177 Cb 1.19 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.75 1r45 h LEU 177 CO 0.53 0.04 -0.80 -0.04 0.09 0.00 0.00 178.44 178.26 1r45 s MET 178 N -4.08 1.26 0.05 1.13 -1.94 -1.26 -4.22 119.30 110.23 1r45 s MET 178 Ca -0.03 -1.35 0.22 0.00 -1.71 0.00 0.00 55.69 52.82 1r45 s MET 178 Cb 0.12 -1.42 -0.21 0.00 2.01 0.00 0.00 34.83 35.33 1r45 s MET 178 CO 0.51 0.30 0.67 -1.13 -0.01 0.00 0.00 175.02 175.37 1r45 n SER 179 N 0.54 0.34 -0.34 3.03 3.41 -1.26 -4.60 113.62 114.73 1r45 n SER 179 Ca -0.15 0.13 0.07 0.00 -0.26 0.00 0.00 58.87 58.67 1r45 n SER 179 Cb 0.56 1.32 0.26 0.00 -0.26 0.00 0.00 64.21 66.09 1r45 n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r45 h ALA 180 N 1.92 1.57 0.00 7.33 0.00 -1.97 -1.30 119.26 126.81 1r45 h ALA 180 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1r45 h ALA 180 Cb 1.10 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1r45 h ALA 180 CO 0.00 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1r45 n GLN 181 N -4.59 0.09 -0.17 0.00 0.00 -1.26 -2.09 117.38 109.37 1r45 n GLN 181 Ca 0.18 0.43 0.11 0.00 0.00 0.00 0.00 57.00 57.72 1r45 n GLN 181 Cb 0.35 -1.72 0.19 0.00 0.00 0.00 0.00 30.24 29.06 1r45 n GLN 181 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1r45 n PHE 182 N -1.90 0.44 0.33 2.61 3.72 -0.49 -4.54 117.46 117.63 1r45 n PHE 182 Ca 0.01 -0.24 0.20 0.00 -0.05 0.00 0.00 57.45 57.38 1r45 n PHE 182 Cb 0.13 -0.00 1.06 0.00 -0.94 0.00 0.00 39.48 39.73 1r45 n PHE 182 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1r45 h GLY 183 N 4.22 0.00 0.13 1.37 0.00 -1.54 -0.79 103.07 106.47 1r45 h GLY 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r45 h GLY 183 CO 0.00 0.00 -0.28 0.61 0.00 0.00 0.00 176.54 176.87 1r45 n GLY 184 N -1.15 -0.56 3.86 4.60 0.00 -1.26 -4.95 105.19 105.73 1r45 n GLY 184 Ca -0.02 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1r45 n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r45 s ARG 185 N -2.50 3.90 0.48 1.61 1.81 -0.30 -4.98 118.95 118.96 1r45 s ARG 185 Ca 0.24 0.44 0.27 0.00 -1.72 0.00 0.00 55.73 54.96 1r45 s ARG 185 Cb 0.19 -2.62 0.99 0.00 -0.45 0.00 0.00 34.95 33.07 1r45 s ARG 185 CO 0.53 0.29 1.85 -1.00 -0.68 0.00 0.00 175.30 176.28 1r45 h PRO 186 N 2.59 0.00 -4.31 3.54 0.13 -1.84 -3.42 132.00 128.69 1r45 h PRO 186 Ca -0.47 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.17 1r45 h PRO 186 Cb 1.17 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.96 1r45 h PRO 186 CO 0.67 0.12 -0.80 0.42 -0.23 0.00 0.00 178.00 178.19 1r45 s ILE 187 N -3.58 0.93 -0.04 -3.56 1.01 -0.89 -0.28 121.20 114.79 1r45 s ILE 187 Ca 0.02 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.38 1r45 s ILE 187 Cb 0.09 -0.90 -0.00 0.00 0.01 0.00 0.00 42.46 41.66 1r45 s ILE 187 CO 0.61 0.32 -0.16 0.68 0.00 0.00 0.00 174.94 176.39 1r45 s VAL 188 N 1.00 1.31 -0.08 2.92 -7.23 -0.05 -0.03 120.40 118.24 1r45 s VAL 188 Ca -0.09 -0.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1r45 s VAL 188 Cb -0.15 -1.13 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 1r45 s VAL 188 CO -0.00 0.38 -0.21 -0.89 -0.31 0.00 0.00 175.10 174.07 1r45 s THR 189 N 0.02 2.42 -0.32 5.32 2.01 -0.57 -0.26 115.64 124.27 1r45 s THR 189 Ca -0.03 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 60.98 1r45 s THR 189 Cb -0.10 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.50 1r45 s THR 189 CO 0.02 0.56 0.10 -0.75 -0.69 0.00 0.00 174.62 173.85 1r45 s LYS 190 N -0.07 2.87 -0.14 4.92 2.20 0.22 -1.09 119.74 128.65 1r45 s LYS 190 Ca -0.05 -1.01 -0.15 0.00 -0.36 0.00 0.00 55.97 54.40 1r45 s LYS 190 Cb -0.14 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1r45 s LYS 190 CO 0.04 -0.55 0.34 -0.06 -0.36 0.00 0.00 175.35 174.76 1r45 s PHE 191 N 1.46 3.50 -0.38 4.03 0.08 0.78 -1.02 117.98 126.43 1r45 s PHE 191 Ca 0.01 0.69 -0.13 0.00 0.12 0.00 0.00 56.93 57.62 1r45 s PHE 191 Cb -0.18 -2.37 0.02 0.00 -0.57 0.00 0.00 43.02 39.92 1r45 s PHE 191 CO 0.03 0.27 0.24 0.15 -0.10 0.00 0.00 175.22 175.81 1r45 s LYS 192 N 0.32 2.96 -0.23 0.44 1.02 0.93 -1.57 119.74 123.61 1r45 s LYS 192 Ca 0.19 -1.00 -0.04 0.00 0.02 0.00 0.00 55.97 55.13 1r45 s LYS 192 Cb -0.14 -3.82 -0.01 0.00 -0.52 0.00 0.00 37.83 33.34 1r45 s LYS 192 CO 0.06 -0.68 -0.02 0.08 -0.92 0.00 0.00 175.35 173.87 1r45 s VAL 193 N 1.62 3.53 0.25 3.17 1.01 0.59 -1.11 120.40 129.46 1r45 s VAL 193 Ca 0.04 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1r45 s VAL 193 Cb -0.19 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 1r45 s VAL 193 CO 0.08 0.39 1.30 -0.89 0.00 0.00 0.00 175.10 175.98 1r45 s THR 194 N 1.50 3.04 0.07 3.92 2.01 -0.42 -0.84 115.64 124.93 1r45 s THR 194 Ca 0.06 0.93 -0.36 0.00 0.31 0.00 0.00 61.69 62.63 1r45 s THR 194 Cb -0.14 -3.59 -0.19 0.00 0.01 0.00 0.00 72.50 68.58 1r45 s THR 194 CO -0.02 0.17 0.88 -3.20 -0.69 0.00 0.00 174.62 171.76 1r45 n ASN 195 N 1.92 -0.41 0.00 3.53 4.05 -1.25 -1.50 115.26 121.61 1r45 n ASN 195 Ca 0.04 1.15 0.00 0.00 0.45 0.00 0.00 54.58 56.22 1r45 n ASN 195 Cb 0.42 -0.94 0.00 0.00 1.23 0.00 0.00 39.78 40.50 1r45 n ASN 195 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1r45 n GLY 196 N 1.69 1.23 3.76 8.20 0.00 0.12 -4.92 105.19 115.27 1r45 n GLY 196 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1r45 n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r45 s SER 197 N -2.84 5.41 0.33 1.61 0.01 -0.56 -4.61 113.70 113.05 1r45 s SER 197 Ca 0.00 2.33 -0.29 0.00 1.31 0.00 0.00 55.95 59.30 1r45 s SER 197 Cb 0.00 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.53 1r45 s SER 197 CO 0.00 -1.44 1.31 -0.54 0.41 0.00 0.00 173.24 172.98 1r45 s LYS 198 N -3.27 4.35 0.00 12.44 1.02 -1.26 -0.61 119.74 132.41 1r45 s LYS 198 Ca 0.75 2.22 0.00 0.00 0.02 0.00 0.00 55.97 58.96 1r45 s LYS 198 Cb -0.29 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1r45 s LYS 198 CO 0.32 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1r45 n GLY 199 N 0.83 3.78 3.00 -3.33 0.00 -0.28 -4.54 105.19 104.65 1r45 n GLY 199 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 1r45 n GLY 199 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r45 s GLY 200 N 0.00 0.01 -0.22 -0.02 0.00 -0.42 -2.74 107.32 103.92 1r45 s GLY 200 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.46 1r45 s GLY 200 CO 0.00 -0.03 1.38 -0.47 0.00 0.00 0.00 173.10 173.99 1r45 s TYR 201 N -0.50 2.56 -0.21 1.90 5.04 -1.26 -0.70 117.35 124.17 1r45 s TYR 201 Ca -0.06 0.79 0.09 0.00 -2.44 0.00 0.00 57.07 55.45 1r45 s TYR 201 Cb -0.04 -3.79 0.20 0.00 0.35 0.00 0.00 41.96 38.69 1r45 s TYR 201 CO 0.00 -2.15 1.14 0.44 -1.34 0.00 0.00 175.55 173.64 1r45 n ILE 202 N 5.90 1.42 -0.27 3.14 -5.35 -0.35 -4.60 119.36 119.26 1r45 n ILE 202 Ca 0.15 -1.48 0.03 0.00 -0.27 0.00 0.00 62.75 61.19 1r45 n ILE 202 Cb 0.45 0.19 0.17 0.00 -1.74 0.00 0.00 39.64 38.71 1r45 n ILE 202 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1r45 h ASP 203 N 0.56 0.53 0.27 7.28 3.58 -1.91 -1.18 116.42 125.54 1r45 h ASP 203 Ca 0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1r45 h ASP 203 Cb 0.80 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1r45 h ASP 203 CO 0.03 0.28 0.00 -2.65 -2.88 0.00 0.00 179.24 174.02 1r45 n PRO 204 N -4.84 0.10 0.00 0.28 -0.02 -1.26 -2.11 135.00 127.15 1r45 n PRO 204 Ca 0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1r45 n PRO 204 Cb 0.32 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1r45 n PRO 204 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1r45 n ILE 205 N -1.97 0.68 -2.23 4.25 -5.35 -0.52 -5.06 119.36 109.16 1r45 n ILE 205 Ca 0.01 -0.84 -0.33 0.00 -0.27 0.00 0.00 62.75 61.32 1r45 n ILE 205 Cb 0.10 0.66 -0.01 0.00 -1.74 0.00 0.00 39.64 38.66 1r45 n ILE 205 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1r45 s SER 206 N -0.68 5.99 0.54 7.28 0.15 -0.74 -4.22 113.70 122.03 1r45 s SER 206 Ca 0.00 1.86 0.29 0.00 0.70 0.00 0.00 55.95 58.80 1r45 s SER 206 Cb 0.00 -2.54 1.56 0.00 -1.71 0.00 0.00 66.02 63.33 1r45 s SER 206 CO 0.00 -1.02 2.11 0.22 1.20 0.00 0.00 173.24 175.75 1r45 h TYR 207 N 0.84 0.00 -2.40 3.44 5.03 -1.85 -3.34 116.97 118.70 1r45 h TYR 207 Ca -0.48 0.00 -0.60 0.00 2.58 0.00 0.00 58.73 60.24 1r45 h TYR 207 Cb 1.22 0.00 -0.41 0.00 1.55 0.00 0.00 36.73 39.09 1r45 h TYR 207 CO 0.58 0.09 -0.74 1.19 -1.32 0.00 0.00 178.16 177.95 1r45 n PHE 208 N -3.62 2.14 -1.81 -3.82 3.72 -1.26 -5.00 117.46 107.82 1r45 n PHE 208 Ca -0.02 -3.97 -0.41 0.00 -0.05 0.00 0.00 57.45 53.00 1r45 n PHE 208 Cb 0.21 -0.43 -0.01 0.00 -0.94 0.00 0.00 39.48 38.31 1r45 n PHE 208 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1r45 s PRO 209 N -1.64 4.13 0.00 -1.08 0.04 -1.26 -2.56 135.00 132.64 1r45 s PRO 209 Ca 0.34 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1r45 s PRO 209 Cb 0.09 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1r45 s PRO 209 CO -0.10 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1r45 n GLY 210 N 1.65 1.49 0.22 0.56 0.00 -1.26 -4.95 105.19 102.90 1r45 n GLY 210 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 1r45 n GLY 210 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1r45 h GLN 211 N 1.75 0.00 -5.95 1.61 4.20 -1.89 -3.47 115.11 111.36 1r45 h GLN 211 Ca 0.00 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 1r45 h GLN 211 Cb 0.00 0.00 0.09 0.00 0.30 0.00 0.00 27.48 27.87 1r45 h GLN 211 CO 0.00 0.00 -0.72 1.28 -0.67 0.00 0.00 178.83 178.72 1r45 n LEU 212 N -2.78 -3.26 -4.74 1.46 4.77 -1.26 -4.65 117.00 106.54 1r45 n LEU 212 Ca 0.01 -0.63 -0.41 0.00 -0.03 0.00 0.00 56.01 54.96 1r45 n LEU 212 Cb 0.29 -2.91 -0.04 0.00 -2.33 0.00 0.00 43.42 38.44 1r45 n LEU 212 CO 0.25 0.56 0.85 -0.70 -1.33 0.00 0.00 177.39 177.03 1r45 s GLU 213 N -6.25 4.53 -0.19 3.23 2.12 -1.26 -1.87 118.70 119.00 1r45 s GLU 213 Ca 0.50 1.84 -0.02 0.00 0.36 0.00 0.00 54.97 57.64 1r45 s GLU 213 Cb -0.23 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 1r45 s GLU 213 CO 0.76 -0.02 -0.09 0.08 -0.54 0.00 0.00 175.26 175.45 1r45 s VAL 214 N -0.23 3.12 -0.18 3.70 1.01 -0.25 -1.21 120.40 126.38 1r45 s VAL 214 Ca 0.51 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1r45 s VAL 214 Cb -0.32 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1r45 s VAL 214 CO 0.37 0.47 0.18 -0.22 0.00 0.00 0.00 175.10 175.90 1r45 s LEU 215 N 1.14 4.24 0.12 3.92 2.96 0.12 -1.12 118.68 130.06 1r45 s LEU 215 Ca 0.01 0.34 0.05 0.00 -0.22 0.00 0.00 54.13 54.31 1r45 s LEU 215 Cb -0.14 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1r45 s LEU 215 CO -0.02 0.18 0.07 -0.76 -1.32 0.00 0.00 176.35 174.50 1r45 s LEU 216 N 0.24 3.67 1.01 -0.68 1.43 -0.19 -1.30 118.68 122.86 1r45 s LEU 216 Ca 0.11 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1r45 s LEU 216 Cb -0.12 -2.34 0.20 0.00 0.03 0.00 0.00 46.19 43.96 1r45 s LEU 216 CO 0.00 0.13 1.09 -2.16 0.23 0.00 0.00 176.35 175.64 1r45 s PRO 217 N -2.66 0.31 0.73 1.29 0.04 -1.26 -2.18 135.00 131.26 1r45 s PRO 217 Ca 0.29 1.15 -0.09 0.00 0.04 0.00 0.00 61.00 62.38 1r45 s PRO 217 Cb -0.11 -1.67 0.05 0.00 0.04 0.00 0.00 34.50 32.81 1r45 s PRO 217 CO 0.21 -2.99 1.07 -0.98 0.04 0.00 0.00 177.00 174.36 1r45 s ARG 218 N -4.62 2.30 -1.22 4.56 1.70 -1.26 -3.88 118.95 116.52 1r45 s ARG 218 Ca 0.67 0.02 -0.04 0.00 -0.47 0.00 0.00 55.73 55.90 1r45 s ARG 218 Cb -0.23 -2.08 0.03 0.00 -0.57 0.00 0.00 34.95 32.10 1r45 s ARG 218 CO 0.60 -1.27 0.27 0.09 -1.08 0.00 0.00 175.30 173.91 1r45 n ASN 219 N -3.04 -4.16 -4.81 -2.89 3.02 0.33 -4.94 115.26 98.77 1r45 n ASN 219 Ca 0.07 -0.10 -0.39 0.00 -0.03 0.00 0.00 54.58 54.14 1r45 n ASN 219 Cb 0.60 -3.47 -0.06 0.00 -0.61 0.00 0.00 39.78 36.24 1r45 n ASN 219 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1r45 s ASN 220 N -2.39 7.02 0.08 6.41 3.04 -1.22 -4.81 114.94 123.06 1r45 s ASN 220 Ca 0.20 1.21 -0.04 0.00 0.04 0.00 0.00 52.86 54.27 1r45 s ASN 220 Cb -0.10 -2.35 -0.05 0.00 -1.54 0.00 0.00 41.25 37.22 1r45 s ASN 220 CO 0.24 0.26 0.29 -0.44 -3.04 0.00 0.00 177.10 174.41 1r45 s SER 221 N -0.96 6.44 0.04 -4.21 0.01 -1.26 -2.48 113.70 111.28 1r45 s SER 221 Ca 0.29 0.47 -0.01 0.00 1.31 0.00 0.00 55.95 58.00 1r45 s SER 221 Cb -0.19 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1r45 s SER 221 CO 0.18 0.15 -0.02 -0.72 0.41 0.00 0.00 173.24 173.24 1r45 s TYR 222 N -1.51 0.43 -0.26 2.43 1.13 -0.01 -4.76 117.35 114.80 1r45 s TYR 222 Ca 0.35 -0.89 -0.07 0.00 -1.41 0.00 0.00 57.07 55.05 1r45 s TYR 222 Cb -0.13 -0.32 -0.01 0.00 -1.10 0.00 0.00 41.96 40.40 1r45 s TYR 222 CO 0.23 -0.33 0.06 -0.47 -2.51 0.00 0.00 175.55 172.53 1r45 s TYR 223 N -3.19 3.09 -0.38 -3.49 5.04 0.11 -0.85 117.35 117.69 1r45 s TYR 223 Ca 0.00 -0.67 -0.29 0.00 -2.44 0.00 0.00 57.07 53.67 1r45 s TYR 223 Cb 0.03 -2.23 0.02 0.00 0.35 0.00 0.00 41.96 40.13 1r45 s TYR 223 CO -0.07 -0.46 1.16 0.42 -1.34 0.00 0.00 175.55 175.27 1r45 s ILE 224 N 1.56 4.29 -0.10 3.14 1.01 -0.85 0.14 121.20 130.38 1r45 s ILE 224 Ca 0.05 1.42 0.22 0.00 0.00 0.00 0.00 60.65 62.34 1r45 s ILE 224 Cb -0.16 -4.42 -0.22 0.00 0.01 0.00 0.00 42.46 37.68 1r45 s ILE 224 CO 0.02 -0.68 0.67 -1.54 0.00 0.00 0.00 174.94 173.42 1r45 n SER 225 N 7.49 0.30 -3.57 3.58 3.41 0.06 0.29 113.62 125.19 1r45 n SER 225 Ca 0.13 0.12 -0.17 0.00 -0.26 0.00 0.00 58.87 58.68 1r45 n SER 225 Cb 0.48 1.44 -0.07 0.00 -0.26 0.00 0.00 64.21 65.81 1r45 n SER 225 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r45 s ASP 226 N -4.83 -0.60 -0.07 4.04 -1.08 -1.09 -4.75 116.67 108.29 1r45 s ASP 226 Ca -0.05 0.68 -0.03 0.00 -0.52 0.00 0.00 52.55 52.63 1r45 s ASP 226 Cb 0.12 0.58 0.04 0.00 -1.46 0.00 0.00 42.92 42.20 1r45 s ASP 226 CO 0.87 -0.55 0.16 -0.04 0.52 0.00 0.00 175.17 176.12 1r45 s MET 227 N -1.08 0.10 0.02 4.34 -1.94 -1.26 -0.86 119.30 118.62 1r45 s MET 227 Ca -0.10 0.42 -0.00 0.00 -1.71 0.00 0.00 55.69 54.29 1r45 s MET 227 Cb -0.01 -0.19 -0.02 0.00 2.01 0.00 0.00 34.83 36.62 1r45 s MET 227 CO 0.08 -0.19 -0.02 -0.65 -0.01 0.00 0.00 175.02 174.23 1r45 s GLN 228 N 1.37 0.36 0.17 2.03 -1.52 -0.10 -4.98 119.66 116.98 1r45 s GLN 228 Ca -0.07 -0.68 -0.28 0.00 -1.95 0.00 0.00 55.36 52.38 1r45 s GLN 228 Cb -0.12 0.13 -0.08 0.00 -0.22 0.00 0.00 33.01 32.73 1r45 s GLN 228 CO -0.06 -0.06 0.86 0.42 -0.25 0.00 0.00 175.29 176.20 1r45 s ILE 229 N -1.79 4.34 0.84 1.08 1.01 -1.26 0.10 121.20 125.53 1r45 s ILE 229 Ca -0.13 1.89 -0.11 0.00 0.00 0.00 0.00 60.65 62.30 1r45 s ILE 229 Cb -0.08 -4.23 0.10 0.00 0.01 0.00 0.00 42.46 38.26 1r45 s ILE 229 CO -0.02 0.46 1.09 -0.94 0.00 0.00 0.00 174.94 175.53 1r45 s SER 230 N -0.81 3.90 0.38 3.58 1.04 0.44 -4.87 113.70 117.35 1r45 s SER 230 Ca 0.40 1.66 0.14 0.00 0.48 0.00 0.00 55.95 58.62 1r45 s SER 230 Cb -0.24 -2.34 0.96 0.00 0.10 0.00 0.00 66.02 64.51 1r45 s SER 230 CO 0.28 -2.40 1.84 -0.65 0.98 0.00 0.00 173.24 173.30 1r45 h PRO 231 N -1.38 0.52 -0.06 4.02 0.11 -1.97 -0.38 132.00 132.86 1r45 h PRO 231 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1r45 h PRO 231 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1r45 h PRO 231 CO 0.53 0.34 0.00 0.27 -0.21 0.00 0.00 178.00 178.93 1r45 n ASN 232 N -4.57 0.79 -0.72 -2.05 6.94 -1.26 -4.91 115.26 109.48 1r45 n ASN 232 Ca 0.20 -1.49 -0.09 0.00 -0.02 0.00 0.00 54.58 53.17 1r45 n ASN 232 Cb 0.63 -0.04 -0.04 0.00 -2.36 0.00 0.00 39.78 37.97 1r45 n ASN 232 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1r45 n ASN 233 N -0.29 -4.86 -0.09 0.53 3.02 -0.15 -4.86 115.26 108.57 1r45 n ASN 233 Ca 0.16 0.23 0.01 0.00 -0.03 0.00 0.00 54.58 54.95 1r45 n ASN 233 Cb 0.20 -3.19 0.01 0.00 -0.61 0.00 0.00 39.78 36.20 1r45 n ASN 233 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1r45 n ARG 234 N -1.75 0.82 -3.91 3.52 1.74 -1.26 -0.85 116.66 114.97 1r45 n ARG 234 Ca -0.09 -1.02 -0.11 0.00 -0.77 0.00 0.00 57.85 55.86 1r45 n ARG 234 Cb 0.43 -1.04 -0.11 0.00 -1.02 0.00 0.00 32.46 30.72 1r45 n ARG 234 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1r45 s GLN 235 N -0.51 0.31 -0.20 5.56 0.74 -1.26 -4.69 119.66 119.61 1r45 s GLN 235 Ca 0.03 -0.35 -0.09 0.00 0.05 0.00 0.00 55.36 54.99 1r45 s GLN 235 Cb 0.02 0.12 -0.05 0.00 1.10 0.00 0.00 33.01 34.20 1r45 s GLN 235 CO 0.02 -0.06 0.11 0.42 -0.55 0.00 0.00 175.29 175.23 1r45 s ILE 236 N -1.04 5.20 -0.32 -2.34 1.01 0.61 -0.42 121.20 123.90 1r45 s ILE 236 Ca -0.11 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 1r45 s ILE 236 Cb -0.07 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 39.07 1r45 s ILE 236 CO 0.00 0.44 0.08 -0.04 0.00 0.00 0.00 174.94 175.42 1r45 s MET 237 N 0.41 2.67 -0.13 2.79 -1.94 0.12 -0.87 119.30 122.34 1r45 s MET 237 Ca 0.06 -1.14 -0.08 0.00 -1.71 0.00 0.00 55.69 52.83 1r45 s MET 237 Cb -0.12 -3.39 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 1r45 s MET 237 CO -0.01 -0.62 0.15 0.42 -0.01 0.00 0.00 175.02 174.95 1r45 s ILE 238 N 1.39 5.48 -0.12 2.53 1.01 0.64 -0.92 121.20 131.21 1r45 s ILE 238 Ca -0.02 0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1r45 s ILE 238 Cb -0.19 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1r45 s ILE 238 CO 0.02 0.58 -0.14 -0.89 0.00 0.00 0.00 174.94 174.51 1r45 s THR 239 N -0.75 2.98 0.05 2.92 2.01 -0.04 -0.61 115.64 122.19 1r45 s THR 239 Ca 0.14 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1r45 s THR 239 Cb -0.12 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 1r45 s THR 239 CO 0.03 0.54 -0.06 0.00 -0.69 0.00 0.00 174.62 174.44 1r45 s ALA 240 N 0.21 0.56 -0.05 7.40 0.00 -0.19 -0.76 121.76 128.94 1r45 s ALA 240 Ca -0.09 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.03 1r45 s ALA 240 Cb -0.15 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1r45 s ALA 240 CO 0.05 -0.14 -0.25 -1.64 0.00 0.00 0.00 175.76 173.79 1r45 s MET 241 N -2.32 2.48 -0.15 0.00 -1.94 0.12 -0.05 119.30 117.45 1r45 s MET 241 Ca -0.05 -0.90 0.02 0.00 -1.71 0.00 0.00 55.69 53.05 1r45 s MET 241 Cb -0.05 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.65 1r45 s MET 241 CO -0.02 0.42 -0.21 0.42 -0.01 0.00 0.00 175.02 175.62 1r45 s ILE 242 N -0.26 2.14 -0.71 2.53 1.01 -0.27 -0.71 121.20 124.93 1r45 s ILE 242 Ca -0.01 -0.95 0.16 0.00 0.00 0.00 0.00 60.65 59.85 1r45 s ILE 242 Cb -0.13 -1.87 -0.17 0.00 0.01 0.00 0.00 42.46 40.30 1r45 s ILE 242 CO 0.03 0.54 0.65 0.49 0.00 0.00 0.00 174.94 176.65 1r45 n PHE 243 N 4.18 0.00 -1.66 3.97 3.72 -1.26 -1.30 117.46 125.12 1r45 n PHE 243 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 1r45 n PHE 243 Cb 0.51 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1r45 n PHE 243 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88