#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r45 n THR 45 N 0.00 1.93 -3.66 -3.53 -1.04 -1.26 -4.97 114.28 101.75 1r45 n THR 45 Ca 0.00 -0.20 -0.36 0.00 -2.04 0.00 0.00 64.05 61.45 1r45 n THR 45 Cb 0.00 -1.18 -0.08 0.00 -1.82 0.00 0.00 70.33 67.25 1r45 n THR 45 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1r45 s PHE 46 N -2.15 3.39 0.03 -1.42 0.40 -1.26 -4.53 117.98 112.44 1r45 s PHE 46 Ca 0.73 0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 57.12 1r45 s PHE 46 Cb -0.29 -2.24 -0.05 0.00 0.51 0.00 0.00 43.02 40.95 1r45 s PHE 46 CO 0.51 0.20 1.22 0.99 0.70 0.00 0.00 175.22 178.84 1r45 s THR 47 N 0.62 4.06 -0.23 0.64 2.01 -0.46 -4.72 115.64 117.56 1r45 s THR 47 Ca 0.10 1.45 0.02 0.00 0.31 0.00 0.00 61.69 63.57 1r45 s THR 47 Cb -0.12 -3.93 0.04 0.00 0.01 0.00 0.00 72.50 68.50 1r45 s THR 47 CO 0.01 0.07 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.17 1r45 s GLU 48 N 1.47 2.57 0.13 4.92 2.12 -1.26 -0.16 118.70 128.49 1r45 s GLU 48 Ca 0.58 -1.12 -0.31 0.00 0.36 0.00 0.00 54.97 54.49 1r45 s GLU 48 Cb -0.28 -2.76 -0.08 0.00 0.26 0.00 0.00 34.13 31.27 1r45 s GLU 48 CO 0.27 -0.41 1.33 -0.06 -0.54 0.00 0.00 175.26 175.84 1r45 s PHE 49 N 1.19 3.29 -0.75 5.30 0.08 -1.26 -4.91 117.98 120.92 1r45 s PHE 49 Ca -0.03 1.10 0.25 0.00 0.12 0.00 0.00 56.93 58.37 1r45 s PHE 49 Cb -0.17 -3.60 0.46 0.00 -0.57 0.00 0.00 43.02 39.14 1r45 s PHE 49 CO -0.08 -2.01 1.40 0.25 -0.10 0.00 0.00 175.22 174.69 1r45 n THR 50 N 3.54 0.27 -3.45 0.64 -2.24 -1.26 -4.88 114.28 106.89 1r45 n THR 50 Ca 0.09 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 1r45 n THR 50 Cb 0.43 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 1r45 n THR 50 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1r45 s ASN 51 N -3.89 -0.53 0.21 3.42 2.20 -1.26 -5.06 114.94 110.03 1r45 s ASN 51 Ca 0.08 -0.04 -0.10 0.00 -0.94 0.00 0.00 52.86 51.86 1r45 s ASN 51 Cb 0.15 0.59 0.18 0.00 -2.00 0.00 0.00 41.25 40.16 1r45 s ASN 51 CO 0.70 -0.96 1.87 0.58 -2.94 0.00 0.00 177.10 176.35 1r45 h VAL 52 N 2.04 1.15 -0.23 3.54 2.07 -1.98 -1.01 116.25 121.83 1r45 h VAL 52 Ca -0.34 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1r45 h VAL 52 Cb 1.30 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1r45 h VAL 52 CO 0.39 0.18 0.02 -0.33 0.02 0.00 0.00 177.57 177.84 1r45 h GLU 53 N 0.97 0.09 -0.49 1.57 5.08 -1.99 0.89 114.58 120.71 1r45 h GLU 53 Ca 0.29 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1r45 h GLU 53 Cb -0.06 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1r45 h GLU 53 CO -0.08 0.06 -0.18 1.49 -1.00 0.00 0.00 179.01 179.30 1r45 h GLU 54 N 0.10 0.96 -0.32 2.33 4.57 -1.93 -1.47 114.58 118.82 1r45 h GLU 54 Ca 0.11 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 1r45 h GLU 54 Cb 0.13 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1r45 h GLU 54 CO -0.17 1.06 0.13 0.00 -1.18 0.00 0.00 179.01 178.84 1r45 h ALA 55 N 0.94 0.41 -0.58 2.92 0.00 -0.75 -0.97 119.26 121.24 1r45 h ALA 55 Ca 0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1r45 h ALA 55 Cb 0.74 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1r45 h ALA 55 CO 0.06 0.01 0.12 0.87 0.00 0.00 0.00 179.25 180.31 1r45 h LYS 56 N 0.36 0.91 -0.26 0.00 1.57 -0.72 0.12 116.57 118.56 1r45 h LYS 56 Ca 0.11 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1r45 h LYS 56 Cb 0.19 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1r45 h LYS 56 CO -0.01 0.83 0.10 -0.22 -0.57 0.00 0.00 179.45 179.58 1r45 h LYS 57 N 0.87 0.22 -0.21 3.15 3.64 -0.87 0.23 116.57 123.59 1r45 h LYS 57 Ca 0.18 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1r45 h LYS 57 Cb 0.35 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1r45 h LYS 57 CO 0.00 0.14 -0.18 2.35 -2.27 0.00 0.00 179.45 179.50 1r45 h TRP 58 N 0.22 0.59 -0.36 1.91 7.01 -0.86 -2.15 115.95 122.31 1r45 h TRP 58 Ca 0.11 -0.17 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 1r45 h TRP 58 Cb 0.07 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 1r45 h TRP 58 CO -0.12 0.83 0.21 0.78 -2.79 0.00 0.00 178.44 177.34 1r45 h GLY 59 N 0.18 0.53 1.01 2.65 0.00 -0.59 -2.62 103.07 104.23 1r45 h GLY 59 Ca 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1r45 h GLY 59 CO 0.05 0.22 0.48 3.43 0.00 0.00 0.00 176.54 180.72 1r45 h ASN 60 N 0.46 1.00 -1.01 0.19 2.35 -0.55 0.17 115.58 118.19 1r45 h ASN 60 Ca 0.13 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1r45 h ASN 60 Cb 0.03 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.10 1r45 h ASN 60 CO -0.02 0.78 0.67 0.00 -1.65 0.00 0.00 177.43 177.21 1r45 h ALA 61 N 1.26 1.29 -0.03 -0.83 0.00 -1.16 -1.35 119.26 118.43 1r45 h ALA 61 Ca 0.29 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1r45 h ALA 61 Cb -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 17.79 17.38 1r45 h ALA 61 CO -0.05 0.65 -0.65 1.96 0.00 0.00 0.00 179.25 181.16 1r45 h GLN 62 N 1.35 0.50 -0.91 0.00 1.08 -1.08 -3.25 115.11 112.79 1r45 h GLN 62 Ca 0.37 -0.49 0.14 0.00 -1.45 0.00 0.00 58.65 57.22 1r45 h GLN 62 Cb -0.13 0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 27.35 1r45 h GLN 62 CO -0.09 1.13 0.58 -0.92 -0.95 0.00 0.00 178.83 178.58 1r45 h TYR 63 N 0.05 0.88 -0.11 2.96 3.20 -0.74 -0.80 116.97 122.41 1r45 h TYR 63 Ca -0.07 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.86 1r45 h TYR 63 Cb 1.33 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.32 1r45 h TYR 63 CO 0.13 0.33 0.14 0.87 -1.64 0.00 0.00 178.16 178.00 1r45 h LYS 64 N 0.76 0.00 -0.00 1.82 1.79 -1.28 -1.74 116.57 117.91 1r45 h LYS 64 Ca 0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1r45 h LYS 64 Cb 0.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1r45 h LYS 64 CO -0.22 0.00 -0.42 1.63 -1.08 0.00 0.00 179.45 179.36 1r45 n LYS 65 N -3.69 0.36 -0.04 3.15 5.02 -0.31 -4.47 118.16 118.19 1r45 n LYS 65 Ca -0.00 -0.21 -0.13 0.00 -2.02 0.00 0.00 58.31 55.95 1r45 n LYS 65 Cb 0.24 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 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 0.52 0.23 -5.26 2.13 0.05 -1.35 -3.48 116.97 109.82 1r45 h TYR 66 Ca 0.00 -0.06 -0.35 0.00 0.05 0.00 0.00 58.73 58.38 1r45 h TYR 66 Cb 0.51 -0.05 0.13 0.00 1.01 0.00 0.00 36.73 38.32 1r45 h TYR 66 CO 0.00 0.54 -0.61 0.41 -1.05 0.00 0.00 178.16 177.46 1r45 n GLY 67 N -0.03 -0.36 3.77 3.88 0.00 -1.26 -4.87 105.19 106.33 1r45 n GLY 67 Ca -0.07 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1r45 n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r45 n LEU 68 N -4.41 4.70 -4.69 0.99 4.77 -1.26 -4.98 117.00 112.13 1r45 n LEU 68 Ca -0.02 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 56.88 1r45 n LEU 68 Cb 0.56 -1.62 0.16 0.00 -2.33 0.00 0.00 43.42 40.19 1r45 n LEU 68 CO 0.57 0.17 0.65 -0.94 -1.33 0.00 0.00 177.39 176.50 1r45 s SER 69 N 0.02 3.08 0.11 -1.43 1.04 -1.26 -4.79 113.70 110.46 1r45 s SER 69 Ca 0.56 1.48 -0.22 0.00 0.48 0.00 0.00 55.95 58.25 1r45 s SER 69 Cb -0.48 -2.16 -0.10 0.00 0.10 0.00 0.00 66.02 63.39 1r45 s SER 69 CO 0.60 -2.89 1.72 0.50 0.98 0.00 0.00 173.24 174.15 1r45 h LYS 70 N -1.72 -0.03 -0.27 4.02 3.11 -1.99 0.30 116.57 119.98 1r45 h LYS 70 Ca -0.51 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.27 1r45 h LYS 70 Cb 1.29 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.52 1r45 h LYS 70 CO 0.54 -0.02 -0.12 -1.35 -2.81 0.00 0.00 179.45 175.69 1r45 h PRO 71 N -0.03 0.45 -0.67 1.90 0.11 -1.99 -0.98 132.00 130.79 1r45 h PRO 71 Ca 0.04 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1r45 h PRO 71 Cb 0.09 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 1r45 h PRO 71 CO -0.09 0.57 0.40 0.93 -0.21 0.00 0.00 178.00 179.60 1r45 h GLU 72 N 0.42 0.91 -0.49 1.05 5.08 -1.76 -0.05 114.58 119.74 1r45 h GLU 72 Ca 0.08 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1r45 h GLU 72 Cb 0.47 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1r45 h GLU 72 CO 0.03 0.65 0.01 1.96 -1.00 0.00 0.00 179.01 180.66 1r45 h GLN 73 N 0.91 0.86 -0.29 2.33 4.20 -0.45 -1.23 115.11 121.43 1r45 h GLN 73 Ca 0.24 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 1r45 h GLN 73 Cb -0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1r45 h GLN 73 CO -0.04 0.89 -0.24 0.93 -0.67 0.00 0.00 178.83 179.69 1r45 h GLU 74 N 0.72 0.55 -0.34 1.46 5.08 -0.94 0.72 114.58 121.83 1r45 h GLU 74 Ca 0.14 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1r45 h GLU 74 Cb 0.49 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1r45 h GLU 74 CO 0.02 0.75 -0.20 0.00 -1.00 0.00 0.00 179.01 178.59 1r45 h ALA 75 N 1.25 0.48 -0.66 3.43 0.00 -0.69 -0.80 119.26 122.27 1r45 h ALA 75 Ca 0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1r45 h ALA 75 Cb 0.68 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1r45 h ALA 75 CO 0.05 0.43 0.19 0.82 0.00 0.00 0.00 179.25 180.74 1r45 h ILE 76 N 0.51 1.25 -0.71 0.00 2.04 -1.00 -1.47 117.51 118.14 1r45 h ILE 76 Ca 0.07 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1r45 h ILE 76 Cb 0.74 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1r45 h ILE 76 CO 0.06 0.34 0.39 0.50 0.00 0.00 0.00 178.15 179.44 1r45 h LYS 77 N 0.97 0.98 -0.47 2.37 3.64 -0.72 -0.34 116.57 123.00 1r45 h LYS 77 Ca 0.21 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1r45 h LYS 77 Cb 0.32 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1r45 h LYS 77 CO -0.00 0.73 0.26 0.35 -2.27 0.00 0.00 179.45 178.52 1r45 h PHE 78 N 0.97 0.49 -0.56 1.91 3.04 -0.96 -1.58 116.94 120.25 1r45 h PHE 78 Ca 0.25 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.28 1r45 h PHE 78 Cb 0.03 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.33 1r45 h PHE 78 CO -0.00 0.27 0.26 -0.92 -2.02 0.00 0.00 178.31 175.90 1r45 h TYR 79 N 0.53 0.47 0.00 0.41 5.03 -0.57 -2.12 116.97 120.73 1r45 h TYR 79 Ca 0.19 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.49 1r45 h TYR 79 Cb 0.04 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.19 1r45 h TYR 79 CO -0.08 0.20 -0.17 1.79 -1.32 0.00 0.00 178.16 178.59 1r45 h THR 80 N 0.49 0.67 -0.79 1.81 1.35 -0.17 -0.80 112.91 115.47 1r45 h THR 80 Ca 0.26 -0.70 -0.05 0.00 -0.55 0.00 0.00 66.41 65.37 1r45 h THR 80 Cb 0.22 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 68.04 1r45 h THR 80 CO -0.21 0.16 0.30 -0.09 -0.25 0.00 0.00 175.52 175.44 1r45 h ARG 81 N 0.00 1.19 -0.71 4.72 2.43 -0.62 -3.41 114.38 117.97 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 0.43 -0.19 -0.20 0.00 -0.42 0.00 0.00 29.97 29.59 1r45 h ARG 81 CO 0.02 0.97 -0.27 0.34 -1.51 0.00 0.00 179.97 179.52 1r45 s ASP 82 N -6.36 -1.14 0.54 -3.80 -1.08 -0.96 -5.04 116.67 98.83 1r45 s ASP 82 Ca -0.12 -0.10 0.27 0.00 -0.52 0.00 0.00 52.55 52.08 1r45 s ASP 82 Cb 0.16 1.63 1.55 0.00 -1.46 0.00 0.00 42.92 44.80 1r45 s ASP 82 CO 0.84 -0.18 2.14 0.00 0.52 0.00 0.00 175.17 178.49 1r45 h ALA 83 N 7.28 1.43 0.00 3.66 0.00 -1.40 -1.97 119.26 128.27 1r45 h ALA 83 Ca -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1r45 h ALA 83 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1r45 h ALA 83 CO 0.05 0.10 -0.01 0.66 0.00 0.00 0.00 179.25 180.04 1r45 h SER 84 N 0.00 0.00 0.89 0.00 4.64 -1.96 0.20 113.55 117.32 1r45 h SER 84 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r45 h SER 84 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1r45 h SER 84 CO 0.01 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1r45 n LYS 85 N -3.57 0.22 -0.08 4.77 4.76 -0.74 -0.81 118.16 122.71 1r45 n LYS 85 Ca -0.03 0.39 -0.17 0.00 -2.87 0.00 0.00 58.31 55.64 1r45 n LYS 85 Cb 0.10 -1.88 -0.06 0.00 -1.84 0.00 0.00 35.03 31.35 1r45 n LYS 85 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1r45 n ILE 86 N -2.29 0.92 0.15 -0.18 2.08 -0.32 -4.53 119.36 115.19 1r45 n ILE 86 Ca 0.03 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.14 1r45 n ILE 86 Cb 0.27 -1.74 0.23 0.00 -0.75 0.00 0.00 39.64 37.65 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 -0.58 0.00 0.80 4.38 2.35 -0.73 -2.20 115.58 119.60 1r45 h ASN 87 Ca -0.40 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.32 1r45 h ASN 87 Cb 1.32 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.70 1r45 h ASN 87 CO -0.24 0.54 -0.39 1.23 -1.65 0.00 0.00 177.43 176.92 1r45 h GLY 88 N 1.74 -1.13 0.74 2.83 0.00 -1.16 -0.56 103.07 105.54 1r45 h GLY 88 Ca -0.01 0.42 0.14 0.00 0.00 0.00 0.00 47.33 47.88 1r45 h GLY 88 CO 0.07 -0.41 0.49 -2.55 0.00 0.00 0.00 176.54 174.14 1r45 h PRO 89 N -1.13 0.43 -0.39 4.80 0.11 -1.72 0.14 132.00 134.24 1r45 h PRO 89 Ca -0.11 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.90 1r45 h PRO 89 Cb 0.84 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1r45 h PRO 89 CO 0.18 0.28 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.16 1r45 h LEU 90 N 0.44 0.70 -0.57 2.35 3.38 -1.12 -1.43 115.31 119.06 1r45 h LEU 90 Ca 0.36 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1r45 h LEU 90 Cb 0.77 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1r45 h LEU 90 CO -0.12 0.86 0.21 0.03 0.09 0.00 0.00 178.44 179.51 1r45 h ARG 91 N 0.53 0.86 -0.77 1.13 3.08 -0.31 -0.17 114.38 118.72 1r45 h ARG 91 Ca 0.11 -0.16 0.10 0.00 0.07 0.00 0.00 59.98 60.09 1r45 h ARG 91 Cb 0.51 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 1r45 h ARG 91 CO 0.03 0.75 0.41 0.00 -1.07 0.00 0.00 179.97 180.08 1r45 h ALA 92 N 1.07 1.08 -0.56 0.04 0.00 -0.49 -2.04 119.26 118.35 1r45 h ALA 92 Ca 0.19 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1r45 h ALA 92 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1r45 h ALA 92 CO -0.01 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.33 1r45 n ASN 93 N -4.82 3.18 -3.96 0.00 3.02 -0.56 -4.94 115.26 107.19 1r45 n ASN 93 Ca 0.13 -2.05 -0.29 0.00 -0.03 0.00 0.00 54.58 52.33 1r45 n ASN 93 Cb 0.29 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 1.13 -4.40 -0.84 3.52 6.02 -0.47 -1.06 117.38 121.27 1r45 n GLN 94 Ca 0.19 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 1r45 n GLN 94 Cb 0.52 -5.15 0.00 0.00 1.02 0.00 0.00 30.24 26.63 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 -1.66 1.10 3.55 1.08 0.00 -0.20 -4.96 105.19 104.11 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 -3.00 6.29 0.62 1.61 2.47 -0.23 -4.82 114.94 117.89 1r45 s ASN 96 Ca 0.00 -0.85 0.35 0.00 0.42 0.00 0.00 52.86 52.78 1r45 s ASN 96 Cb 0.00 -2.56 2.04 0.00 -1.45 0.00 0.00 41.25 39.28 1r45 s ASN 96 CO 0.00 -1.71 2.29 1.05 -3.72 0.00 0.00 177.10 175.02 1r45 h GLU 97 N 9.94 0.00 0.00 0.43 4.11 -1.93 -1.25 114.58 125.88 1r45 h GLU 97 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1r45 h GLU 97 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1r45 h GLU 97 CO 1.34 0.00 0.00 -0.91 0.07 0.00 0.00 179.01 179.51 1r45 h ASN 98 N 0.00 0.00 0.21 3.06 -0.26 -1.96 -2.08 115.58 114.55 1r45 h ASN 98 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1r45 h ASN 98 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1r45 h ASN 98 CO 0.00 0.00 -0.26 0.61 -1.06 0.00 0.00 177.43 176.72 1r45 n GLY 99 N -0.05 -0.55 3.78 2.83 0.00 -0.47 -4.94 105.19 105.78 1r45 n GLY 99 Ca 0.01 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.48 3.59 0.60 0.99 1.43 -0.78 -4.99 118.68 117.03 1r45 s LEU 100 Ca 0.24 2.04 -0.19 0.00 -1.03 0.00 0.00 54.13 55.19 1r45 s LEU 100 Cb 0.19 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.81 1r45 s LEU 100 CO 0.52 -1.32 1.05 -2.65 0.23 0.00 0.00 176.35 174.18 1r45 n PRO 101 N -1.77 1.01 -0.31 1.29 -0.02 -1.26 -4.68 135.00 129.26 1r45 n PRO 101 Ca 0.11 0.39 0.02 0.00 -2.02 0.00 0.00 63.50 61.99 1r45 n PRO 101 Cb 0.52 -2.25 0.21 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.62 1.45 -0.46 3.55 0.00 -1.96 0.24 119.26 122.70 1r45 h ALA 102 Ca -0.49 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1r45 h ALA 102 Cb 1.35 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1r45 h ALA 102 CO 0.52 0.45 -0.13 0.38 0.00 0.00 0.00 179.25 180.47 1r45 h ASP 103 N 1.11 0.84 0.06 0.00 2.03 -2.00 -1.21 116.42 117.25 1r45 h ASP 103 Ca 0.37 -0.27 -0.21 0.00 -0.73 0.00 0.00 57.03 56.18 1r45 h ASP 103 Cb 0.06 -0.23 0.01 0.00 -0.83 0.00 0.00 39.33 38.34 1r45 h ASP 103 CO -0.12 0.98 -0.80 0.40 -1.03 0.00 0.00 179.24 178.67 1r45 h ILE 104 N 0.76 1.32 -0.68 4.15 1.08 -1.70 -2.76 117.51 119.68 1r45 h ILE 104 Ca 0.12 -2.10 0.07 0.00 -0.39 0.00 0.00 64.86 62.55 1r45 h ILE 104 Cb 0.64 2.11 -0.06 0.00 -3.07 0.00 0.00 36.82 36.44 1r45 h ILE 104 CO 0.04 0.65 0.37 0.25 -0.69 0.00 0.00 178.15 178.77 1r45 h LEU 105 N 0.41 0.54 -0.99 1.44 5.85 -0.76 0.23 115.31 122.02 1r45 h LEU 105 Ca -0.06 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1r45 h LEU 105 Cb 1.42 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 1r45 h LEU 105 CO 0.15 0.34 0.56 -0.61 -0.34 0.00 0.00 178.44 178.54 1r45 h GLN 106 N 0.67 1.26 -0.22 1.25 -0.00 -1.13 0.38 115.11 117.32 1r45 h GLN 106 Ca 0.31 -0.11 -0.19 0.00 -0.00 0.00 0.00 58.65 58.66 1r45 h GLN 106 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 27.48 27.44 1r45 h GLN 106 CO -0.20 0.88 -0.60 0.87 0.00 0.00 0.00 178.83 179.77 1r45 h LYS 107 N 1.28 0.80 -0.60 1.69 1.57 -1.12 -2.55 116.57 117.64 1r45 h LYS 107 Ca 0.33 -0.57 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1r45 h LYS 107 Cb -0.06 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1r45 h LYS 107 CO -0.06 1.19 0.31 0.28 -0.57 0.00 0.00 179.45 180.59 1r45 h VAL 108 N 0.55 1.20 -1.00 0.50 2.07 -0.18 0.11 116.25 119.51 1r45 h VAL 108 Ca -0.01 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1r45 h VAL 108 Cb 1.22 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1r45 h VAL 108 CO 0.13 0.23 0.66 0.11 0.02 0.00 0.00 177.57 178.72 1r45 h LYS 109 N 0.81 1.31 -0.38 1.57 1.57 -0.91 0.15 116.57 120.68 1r45 h LYS 109 Ca 0.21 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1r45 h LYS 109 Cb 0.09 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1r45 h LYS 109 CO -0.03 0.86 0.14 -0.07 -0.57 0.00 0.00 179.45 179.78 1r45 h LEU 110 N 1.35 0.54 -0.36 2.94 3.38 -0.99 -0.28 115.31 121.89 1r45 h LEU 110 Ca 0.37 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1r45 h LEU 110 Cb -0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1r45 h LEU 110 CO -0.08 0.58 -0.08 0.40 0.09 0.00 0.00 178.44 179.34 1r45 h ILE 111 N 0.47 1.28 -0.72 1.22 2.04 -0.70 -0.38 117.51 120.71 1r45 h ILE 111 Ca 0.13 -1.15 0.07 0.00 1.00 0.00 0.00 64.86 64.90 1r45 h ILE 111 Cb 0.22 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 1r45 h ILE 111 CO -0.01 0.38 0.41 0.44 0.00 0.00 0.00 178.15 179.37 1r45 h ASP 112 N 0.49 0.60 -0.07 1.72 3.32 -0.62 -2.25 116.42 119.61 1r45 h ASP 112 Ca 0.09 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1r45 h ASP 112 Cb 0.59 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1r45 h ASP 112 CO 0.04 0.38 -0.12 1.56 -1.72 0.00 0.00 179.24 179.37 1r45 h GLN 113 N 0.73 0.38 0.00 3.56 4.20 -0.55 -2.65 115.11 120.79 1r45 h GLN 113 Ca 0.33 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 1r45 h GLN 113 Cb 0.23 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1r45 h GLN 113 CO -0.20 0.50 -0.01 0.66 -0.67 0.00 0.00 178.83 179.11 1r45 h SER 114 N 0.35 0.00 0.65 1.46 4.64 -0.45 -1.07 113.55 119.14 1r45 h SER 114 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1r45 h SER 114 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1r45 h SER 114 CO 0.02 0.01 0.00 0.49 -0.87 0.00 0.00 176.83 176.49 1r45 n PHE 115 N -4.33 0.27 0.32 4.77 3.72 -1.00 -0.98 117.46 120.22 1r45 n PHE 115 Ca -0.03 0.10 0.21 0.00 -0.05 0.00 0.00 57.45 57.68 1r45 n PHE 115 Cb 0.10 -0.66 1.02 0.00 -0.94 0.00 0.00 39.48 38.99 1r45 n PHE 115 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1r45 h SER 116 N 0.00 0.00 0.00 4.37 0.02 -1.36 -2.91 113.55 113.67 1r45 h SER 116 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r45 h SER 116 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1r45 h SER 116 CO 0.00 0.00 -1.21 0.29 -1.14 0.00 0.00 176.83 174.77 1r45 n LYS 117 N -3.07 1.03 -4.04 3.45 5.02 -0.16 -4.90 118.16 115.49 1r45 n LYS 117 Ca -0.02 -0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 55.89 1r45 n LYS 117 Cb 0.16 -1.35 -0.15 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.86 1.91 0.03 1.97 -1.94 -1.10 -4.62 119.30 112.70 1r45 s MET 118 Ca 0.01 -1.50 0.04 0.00 -1.71 0.00 0.00 55.69 52.53 1r45 s MET 118 Cb 0.12 -2.97 -0.02 0.00 2.01 0.00 0.00 34.83 33.98 1r45 s MET 118 CO 0.71 -0.71 -0.12 0.15 -0.01 0.00 0.00 175.02 175.04 1r45 s LYS 119 N 1.06 0.82 0.12 2.03 -0.14 -1.15 -1.19 119.74 121.29 1r45 s LYS 119 Ca -0.02 -0.70 -0.31 0.00 -1.36 0.00 0.00 55.97 53.59 1r45 s LYS 119 Cb -0.20 -0.79 -0.09 0.00 -1.68 0.00 0.00 37.83 35.08 1r45 s LYS 119 CO -0.06 0.19 1.50 -1.64 -0.76 0.00 0.00 175.35 174.58 1r45 s MET 120 N -1.09 4.26 0.00 1.68 -1.94 0.65 -4.84 119.30 118.01 1r45 s MET 120 Ca -0.00 2.23 0.29 0.00 -1.71 0.00 0.00 55.69 56.50 1r45 s MET 120 Cb -0.08 -3.27 1.22 0.00 2.01 0.00 0.00 34.83 34.72 1r45 s MET 120 CO 0.01 -0.56 1.92 -0.35 -0.01 0.00 0.00 175.02 176.03 1r45 n PRO 121 N 4.26 0.01 -3.56 2.03 -0.04 -1.26 -0.40 135.00 136.04 1r45 n PRO 121 Ca 0.13 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.48 1r45 n PRO 121 Cb 0.40 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 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 -3.00 1.11 0.18 0.54 -2.07 -1.26 -4.84 119.66 110.32 1r45 s GLN 122 Ca 0.14 -0.49 -0.33 0.00 -1.82 0.00 0.00 55.36 52.86 1r45 s GLN 122 Cb 0.19 0.50 -0.13 0.00 -1.09 0.00 0.00 33.01 32.48 1r45 s GLN 122 CO 0.53 -0.44 1.66 0.09 -1.32 0.00 0.00 175.29 175.81 1r45 n ASN 123 N -0.04 3.56 -4.01 12.60 3.02 -1.26 -3.67 115.26 125.47 1r45 n ASN 123 Ca -0.17 1.07 -0.08 0.00 -0.03 0.00 0.00 54.58 55.36 1r45 n ASN 123 Cb 0.63 -1.50 -0.11 0.00 -0.61 0.00 0.00 39.78 38.19 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 1.07 0.14 -0.17 2.41 2.07 -0.08 -1.36 121.20 125.29 1r45 s ILE 124 Ca 0.77 -1.15 -0.07 0.00 -1.41 0.00 0.00 60.65 58.79 1r45 s ILE 124 Cb -0.59 -0.60 -0.04 0.00 0.13 0.00 0.00 42.46 41.36 1r45 s ILE 124 CO 0.35 -0.63 0.07 -0.63 -1.91 0.00 0.00 174.94 172.19 1r45 s ILE 125 N -2.13 4.90 0.14 2.00 -1.09 0.77 -0.81 121.20 124.98 1r45 s ILE 125 Ca -0.10 -0.00 0.06 0.00 -2.23 0.00 0.00 60.65 58.38 1r45 s ILE 125 Cb -0.05 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1r45 s ILE 125 CO -0.03 0.49 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.27 1r45 s LEU 126 N 0.11 2.45 0.08 2.97 1.43 -0.27 -4.75 118.68 120.70 1r45 s LEU 126 Ca 0.06 -0.89 0.06 0.00 -1.03 0.00 0.00 54.13 52.33 1r45 s LEU 126 Cb -0.12 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 1r45 s LEU 126 CO 0.00 -0.20 -0.16 -0.36 0.23 0.00 0.00 176.35 175.86 1r45 s PHE 127 N -2.54 1.40 -0.07 0.29 0.08 0.06 -0.22 117.98 116.98 1r45 s PHE 127 Ca 0.12 -0.44 -0.04 0.00 0.12 0.00 0.00 56.93 56.69 1r45 s PHE 127 Cb -0.02 -0.78 0.03 0.00 -0.57 0.00 0.00 43.02 41.68 1r45 s PHE 127 CO 0.03 0.10 0.17 0.50 -0.10 0.00 0.00 175.22 175.92 1r45 s ARG 128 N -1.77 0.14 0.24 0.44 3.52 -0.32 -0.29 118.95 120.91 1r45 s ARG 128 Ca 0.01 0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1r45 s ARG 128 Cb -0.10 -0.09 -0.05 0.00 -1.56 0.00 0.00 34.95 33.15 1r45 s ARG 128 CO 0.03 -0.12 0.48 0.20 -0.81 0.00 0.00 175.30 175.07 1r45 s GLY 129 N 0.86 1.89 0.27 8.12 0.00 -1.26 -0.49 107.32 116.71 1r45 s GLY 129 Ca -0.06 -0.64 -0.17 0.00 0.00 0.00 0.00 44.72 43.85 1r45 s GLY 129 CO -0.05 -0.56 0.62 -0.35 0.00 0.00 0.00 173.10 172.76 1r45 s ASP 130 N -3.06 -0.14 0.41 1.64 -1.08 0.48 -4.98 116.67 109.94 1r45 s ASP 130 Ca 0.42 -0.80 0.07 0.00 -0.52 0.00 0.00 52.55 51.72 1r45 s ASP 130 Cb -0.11 0.68 -0.04 0.00 -1.46 0.00 0.00 42.92 41.98 1r45 s ASP 130 CO 0.29 -1.28 0.22 -1.81 0.52 0.00 0.00 175.17 173.11 1r45 s ASP 131 N -2.98 4.58 0.63 -0.34 1.01 -1.26 -1.83 116.67 116.48 1r45 s ASP 131 Ca 0.17 -0.99 0.35 0.00 0.71 0.00 0.00 52.55 52.79 1r45 s ASP 131 Cb -0.04 -0.51 1.99 0.00 1.01 0.00 0.00 42.92 45.37 1r45 s ASP 131 CO 0.09 -0.55 2.22 -0.65 0.21 0.00 0.00 175.17 176.48 1r45 h PRO 132 N 1.35 0.00 -0.11 8.23 0.11 -1.94 -1.19 132.00 138.44 1r45 h PRO 132 Ca -0.43 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.72 1r45 h PRO 132 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1r45 h PRO 132 CO 0.67 0.00 0.21 0.00 -0.21 0.00 0.00 178.00 178.67 1r45 h ALA 133 N 1.86 1.53 -0.48 -0.75 0.00 -1.89 0.02 119.26 119.54 1r45 h ALA 133 Ca 0.02 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1r45 h ALA 133 Cb 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1r45 h ALA 133 CO -0.00 -0.27 0.33 -0.92 0.00 0.00 0.00 179.25 178.39 1r45 h TYR 134 N 0.00 0.25 -0.00 0.00 3.20 -1.62 -1.66 116.97 117.14 1r45 h TYR 134 Ca 0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1r45 h TYR 134 Cb 0.48 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1r45 h TYR 134 CO 0.00 0.12 -0.07 1.28 -1.64 0.00 0.00 178.16 177.85 1r45 n LEU 135 N -4.45 0.28 0.00 2.82 4.77 -0.01 -5.04 117.00 115.38 1r45 n LEU 135 Ca 0.08 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1r45 n LEU 135 Cb 0.39 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1r45 n LEU 135 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1r45 n GLY 136 N 1.28 1.32 0.37 -0.72 0.00 -0.62 -4.44 105.19 102.37 1r45 n GLY 136 Ca 0.14 -1.83 0.14 0.00 0.00 0.00 0.00 46.02 44.48 1r45 n GLY 136 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r45 h PRO 137 N 0.00 0.33 0.00 1.61 0.11 -1.93 0.45 132.00 132.57 1r45 h PRO 137 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1r45 h PRO 137 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1r45 h PRO 137 CO 0.00 0.22 0.00 -0.85 -0.21 0.00 0.00 178.00 177.16 1r45 n GLU 138 N -4.46 0.09 -0.00 1.05 0.28 -1.26 -3.53 120.64 112.81 1r45 n GLU 138 Ca 0.11 0.19 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 1r45 n GLU 138 Cb 0.47 -1.63 -0.01 0.00 1.43 0.00 0.00 31.44 31.69 1r45 n GLU 138 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1r45 n PHE 139 N -1.79 0.00 -0.00 -1.84 3.72 -0.65 -4.72 117.46 112.18 1r45 n PHE 139 Ca 0.05 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.53 1r45 n PHE 139 Cb 0.29 -0.03 0.49 0.00 -0.94 0.00 0.00 39.48 39.29 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 0.40 -0.39 -1.08 3.07 -0.99 -0.56 115.11 115.55 1r45 h GLN 140 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1r45 h GLN 140 Cb 0.26 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.73 1r45 h GLN 140 CO 0.00 0.26 0.00 -0.25 0.09 0.00 0.00 178.83 178.93 1r45 n ASP 141 N -4.48 3.43 -0.00 0.06 8.00 -1.26 -4.42 116.55 117.88 1r45 n ASP 141 Ca 0.05 -1.99 0.01 0.00 0.71 0.00 0.00 54.79 53.57 1r45 n ASP 141 Cb 0.21 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.47 0.20 0.21 -1.24 4.76 -0.66 -4.73 118.16 118.17 1r45 n LYS 142 Ca 0.19 -0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.71 1r45 n LYS 142 Cb 0.60 -1.04 0.42 0.00 -1.84 0.00 0.00 35.03 33.17 1r45 n LYS 142 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1r45 h ILE 143 N 0.00 0.64 -3.29 -0.18 6.09 -1.35 -3.42 117.51 116.00 1r45 h ILE 143 Ca -0.00 -1.23 -0.61 0.00 -1.37 0.00 0.00 64.86 61.65 1r45 h ILE 143 Cb 0.12 1.81 -0.14 0.00 0.47 0.00 0.00 36.82 39.09 1r45 h ILE 143 CO 0.00 0.26 -0.53 -0.76 -3.07 0.00 0.00 178.15 174.05 1r45 s LEU 144 N -6.86 4.02 0.84 2.19 1.43 -1.26 -0.11 118.68 118.92 1r45 s LEU 144 Ca 0.00 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 1r45 s LEU 144 Cb 0.10 -2.03 0.09 0.00 0.03 0.00 0.00 46.19 44.39 1r45 s LEU 144 CO 0.65 0.17 1.10 0.20 0.23 0.00 0.00 176.35 178.70 1r45 s ASN 145 N 0.39 3.91 0.50 2.29 0.01 0.89 -4.82 114.94 118.12 1r45 s ASN 145 Ca 0.06 1.78 0.18 0.00 -0.71 0.00 0.00 52.86 54.17 1r45 s ASN 145 Cb -0.12 -2.43 1.24 0.00 0.41 0.00 0.00 41.25 40.35 1r45 s ASN 145 CO -0.01 -2.41 2.05 0.50 -1.51 0.00 0.00 177.10 175.73 1r45 h LYS 146 N -1.39 0.12 -0.20 -0.60 1.63 -1.98 -0.95 116.57 113.21 1r45 h LYS 146 Ca -0.45 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1r45 h LYS 146 Cb 1.25 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1r45 h LYS 146 CO 0.51 0.08 0.00 -0.40 -3.45 0.00 0.00 179.45 176.19 1r45 n ASP 147 N -4.46 1.02 0.00 4.20 5.75 -1.26 -4.88 116.55 116.92 1r45 n ASP 147 Ca 0.05 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1r45 n ASP 147 Cb 0.33 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1r45 n ASP 147 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r45 n GLY 148 N 0.78 1.65 3.90 6.12 0.00 -0.36 -5.03 105.19 112.24 1r45 n GLY 148 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.40 4.60 0.08 2.61 -4.23 -1.26 -4.66 115.64 109.39 1r45 s THR 149 Ca 0.00 0.34 -0.31 0.00 -1.18 0.00 0.00 61.69 60.54 1r45 s THR 149 Cb 0.00 -3.78 -0.07 0.00 1.34 0.00 0.00 72.50 69.99 1r45 s THR 149 CO 0.00 -0.85 1.32 -0.63 -0.54 0.00 0.00 174.62 173.92 1r45 s ILE 150 N -2.91 3.62 -0.29 2.99 -1.09 0.06 -0.08 121.20 123.51 1r45 s ILE 150 Ca 0.51 1.15 -0.29 0.00 -2.23 0.00 0.00 60.65 59.79 1r45 s ILE 150 Cb -0.11 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1r45 s ILE 150 CO 0.47 0.08 1.74 0.21 -1.23 0.00 0.00 174.94 176.21 1r45 s ASN 151 N 1.17 6.07 0.24 3.58 3.84 0.84 -4.78 114.94 125.90 1r45 s ASN 151 Ca 0.62 1.43 -0.05 0.00 0.21 0.00 0.00 52.86 55.07 1r45 s ASN 151 Cb -0.33 -2.53 0.26 0.00 -0.55 0.00 0.00 41.25 38.09 1r45 s ASN 151 CO 0.29 -1.54 1.77 0.11 -2.79 0.00 0.00 177.10 174.95 1r45 h LYS 152 N 12.07 1.00 -0.15 0.43 1.57 -1.92 0.34 116.57 129.91 1r45 h LYS 152 Ca -0.34 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.14 1r45 h LYS 152 Cb 1.16 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 1r45 h LYS 152 CO 1.02 0.88 -0.22 1.79 -0.57 0.00 0.00 179.45 182.35 1r45 h THR 153 N 0.96 1.36 -0.59 -0.16 1.35 -1.99 -2.79 112.91 111.05 1r45 h THR 153 Ca 0.21 -1.44 0.03 0.00 -0.55 0.00 0.00 66.41 64.65 1r45 h THR 153 Cb 0.32 1.95 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 1r45 h THR 153 CO -0.00 0.43 0.39 0.58 -0.25 0.00 0.00 175.52 176.66 1r45 h VAL 154 N 0.02 1.10 -0.42 6.82 2.07 -1.87 -1.82 116.25 122.15 1r45 h VAL 154 Ca 0.01 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1r45 h VAL 154 Cb 0.78 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1r45 h VAL 154 CO 0.05 0.13 0.28 0.15 0.02 0.00 0.00 177.57 178.20 1r45 h PHE 155 N 0.71 0.43 -0.88 1.57 3.57 -0.73 0.47 116.94 122.09 1r45 h PHE 155 Ca 0.23 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1r45 h PHE 155 Cb 0.04 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1r45 h PHE 155 CO -0.00 0.25 0.46 0.93 -2.23 0.00 0.00 178.31 177.73 1r45 h GLU 156 N 0.45 1.24 -0.09 1.11 4.39 -1.07 -0.46 114.58 120.15 1r45 h GLU 156 Ca 0.17 -0.16 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 1r45 h GLU 156 Cb 0.13 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1r45 h GLU 156 CO -0.04 0.92 -0.58 1.96 -1.16 0.00 0.00 179.01 180.11 1r45 h GLN 157 N 1.24 0.29 -0.50 2.33 7.50 -0.99 -1.17 115.11 123.80 1r45 h GLN 157 Ca 0.31 -0.19 0.02 0.00 0.50 0.00 0.00 58.65 59.29 1r45 h GLN 157 Cb 0.06 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.58 1r45 h GLN 157 CO -0.05 0.79 0.30 0.28 -1.50 0.00 0.00 178.83 178.65 1r45 h VAL 158 N 0.22 1.06 -0.69 -0.54 2.07 -0.38 -0.77 116.25 117.21 1r45 h VAL 158 Ca -0.00 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1r45 h VAL 158 Cb 1.08 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1r45 h VAL 158 CO 0.09 0.11 0.37 0.11 0.02 0.00 0.00 177.57 178.27 1r45 h LYS 159 N 0.61 0.97 -0.52 1.57 1.57 -0.92 -0.35 116.57 119.50 1r45 h LYS 159 Ca 0.20 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1r45 h LYS 159 Cb 0.00 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1r45 h LYS 159 CO -0.08 0.73 0.34 0.00 -0.57 0.00 0.00 179.45 179.87 1r45 h ALA 160 N 1.18 1.69 0.08 3.86 0.00 -0.66 0.13 119.26 125.55 1r45 h ALA 160 Ca 0.24 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 1r45 h ALA 160 Cb 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1r45 h ALA 160 CO -0.04 0.26 -1.13 -0.22 0.00 0.00 0.00 179.25 178.13 1r45 h LYS 161 N 0.64 0.30 0.00 0.00 1.63 -0.51 -3.42 116.57 115.22 1r45 h LYS 161 Ca 0.20 -0.44 -0.03 0.00 -0.85 0.00 0.00 60.65 59.53 1r45 h LYS 161 Cb 0.01 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1r45 h LYS 161 CO -0.05 1.17 -1.15 1.19 -3.45 0.00 0.00 179.45 177.16 1r45 n PHE 162 N -3.60 0.00 -2.53 1.91 3.72 -0.20 -4.95 117.46 111.81 1r45 n PHE 162 Ca -0.08 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.91 1r45 n PHE 162 Cb 0.95 -0.10 -0.04 0.00 -0.94 0.00 0.00 39.48 39.36 1r45 n PHE 162 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1r45 s LEU 163 N -3.79 4.48 -1.43 4.37 2.96 0.42 -3.02 118.68 122.67 1r45 s LEU 163 Ca -0.01 2.06 -0.08 0.00 -0.22 0.00 0.00 54.13 55.88 1r45 s LEU 163 Cb 0.01 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.11 1r45 s LEU 163 CO 0.10 -0.22 0.99 0.29 -1.32 0.00 0.00 176.35 176.20 1r45 n LYS 164 N 2.49 -6.96 -4.10 1.98 5.02 0.13 -4.92 118.16 111.81 1r45 n LYS 164 Ca 0.03 0.86 -0.10 0.00 -2.02 0.00 0.00 58.31 57.08 1r45 n LYS 164 Cb 0.46 -5.86 -0.10 0.00 -0.02 0.00 0.00 35.03 29.52 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 -6.11 0.64 0.32 1.97 1.02 -1.17 -4.96 119.74 111.45 1r45 s LYS 165 Ca 0.49 -1.09 -0.14 0.00 0.02 0.00 0.00 55.97 55.25 1r45 s LYS 165 Cb -0.22 -0.06 -0.09 0.00 -0.52 0.00 0.00 37.83 36.94 1r45 s LYS 165 CO 0.61 -0.03 0.72 -0.51 -0.92 0.00 0.00 175.35 175.22 1r45 s ASP 166 N -2.51 6.74 0.00 2.83 1.01 -1.26 -1.38 116.67 122.10 1r45 s ASP 166 Ca 0.02 1.24 0.01 0.00 0.71 0.00 0.00 52.55 54.53 1r45 s ASP 166 Cb 0.01 -2.36 -0.00 0.00 1.01 0.00 0.00 42.92 41.58 1r45 s ASP 166 CO -0.05 -0.21 -0.03 -0.60 0.21 0.00 0.00 175.17 174.49 1r45 s ARG 167 N -3.05 0.24 -0.08 8.23 3.52 0.05 -4.96 118.95 122.91 1r45 s ARG 167 Ca 0.53 -0.16 0.03 0.00 -0.13 0.00 0.00 55.73 56.01 1r45 s ARG 167 Cb -0.10 -0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.09 1r45 s ARG 167 CO 0.19 0.05 -0.18 0.99 -0.81 0.00 0.00 175.30 175.54 1r45 s THR 168 N -0.19 1.56 -0.01 4.11 2.01 -1.26 -1.13 115.64 120.72 1r45 s THR 168 Ca -0.00 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1r45 s THR 168 Cb -0.02 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1r45 s THR 168 CO -0.00 0.45 0.04 -1.61 -0.69 0.00 0.00 174.62 172.81 1r45 s GLU 169 N 0.44 2.95 0.29 4.92 2.02 -1.26 -4.98 118.70 123.09 1r45 s GLU 169 Ca -0.15 -0.52 0.15 0.00 0.02 0.00 0.00 54.97 54.47 1r45 s GLU 169 Cb -0.16 -2.79 0.32 0.00 0.10 0.00 0.00 34.13 31.61 1r45 s GLU 169 CO 0.06 0.65 1.56 1.88 0.02 0.00 0.00 175.26 179.43 1r45 h TYR 170 N 4.33 0.00 -4.38 1.61 0.05 -1.95 -1.24 116.97 115.39 1r45 h TYR 170 Ca -0.49 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 57.81 1r45 h TYR 170 Cb 1.18 0.00 0.11 0.00 1.01 0.00 0.00 36.73 39.03 1r45 h TYR 170 CO 0.63 0.54 0.35 0.20 -1.05 0.00 0.00 178.16 178.84 1r45 s GLY 171 N -4.46 1.60 0.83 3.88 0.00 -1.26 -4.01 107.32 103.91 1r45 s GLY 171 Ca 0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.20 1r45 s GLY 171 CO 0.73 0.05 1.10 -0.19 0.00 0.00 0.00 173.10 174.79 1r45 s TYR 172 N -3.32 2.34 -0.30 1.90 2.02 -1.26 -4.00 117.35 114.73 1r45 s TYR 172 Ca 0.62 1.52 -0.09 0.00 -0.37 0.00 0.00 57.07 58.74 1r45 s TYR 172 Cb -0.13 -3.12 -0.01 0.00 -0.40 0.00 0.00 41.96 38.30 1r45 s TYR 172 CO 0.52 -2.13 0.15 0.42 -1.57 0.00 0.00 175.55 172.94 1r45 s ILE 173 N -2.86 4.62 -0.30 2.71 1.01 -0.87 -4.92 121.20 120.58 1r45 s ILE 173 Ca 0.63 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.75 1r45 s ILE 173 Cb -0.18 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 1r45 s ILE 173 CO 0.57 0.11 0.48 -0.44 0.00 0.00 0.00 174.94 175.65 1r45 s SER 174 N 1.62 6.34 0.43 3.58 0.01 -1.26 -0.86 113.70 123.56 1r45 s SER 174 Ca 0.05 0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.59 1r45 s SER 174 Cb -0.17 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1r45 s SER 174 CO 0.06 -0.33 0.04 0.42 0.41 0.00 0.00 173.24 173.84 1r45 s THR 175 N 2.27 1.30 0.12 1.44 -4.23 -0.44 -4.75 115.64 111.37 1r45 s THR 175 Ca 0.18 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.77 1r45 s THR 175 Cb -0.16 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1r45 s THR 175 CO 0.11 0.00 -0.19 -0.55 -0.54 0.00 0.00 174.62 173.45 1r45 s SER 176 N -3.71 2.46 0.59 3.99 0.15 0.61 -0.95 113.70 116.84 1r45 s SER 176 Ca 0.23 -0.76 0.35 0.00 0.70 0.00 0.00 55.95 56.47 1r45 s SER 176 Cb 0.05 -0.13 1.86 0.00 -1.71 0.00 0.00 66.02 66.09 1r45 s SER 176 CO 0.12 -0.01 2.19 -0.07 1.20 0.00 0.00 173.24 176.67 1r45 h LEU 177 N 3.73 0.00 -9.34 3.45 3.38 -1.49 0.21 115.31 115.25 1r45 h LEU 177 Ca -0.44 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.94 1r45 h LEU 177 Cb 1.19 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.82 1r45 h LEU 177 CO 0.45 0.04 -0.72 -0.04 0.09 0.00 0.00 178.44 178.26 1r45 s MET 178 N -4.13 1.88 -0.01 1.13 -1.94 -1.26 -4.38 119.30 110.58 1r45 s MET 178 Ca -0.03 -1.69 0.09 0.00 -1.71 0.00 0.00 55.69 52.36 1r45 s MET 178 Cb 0.13 -1.88 -0.14 0.00 2.01 0.00 0.00 34.83 34.94 1r45 s MET 178 CO 0.51 0.32 0.21 -1.13 -0.01 0.00 0.00 175.02 174.92 1r45 n SER 179 N -0.72 2.74 0.11 3.03 3.41 -1.26 -4.58 113.62 116.34 1r45 n SER 179 Ca -0.05 -0.03 0.10 0.00 -0.26 0.00 0.00 58.87 58.62 1r45 n SER 179 Cb 0.60 1.41 0.58 0.00 -0.26 0.00 0.00 64.21 66.54 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 0.88 2.03 0.00 7.33 0.00 -1.99 -0.71 119.26 126.80 1r45 h ALA 180 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r45 h ALA 180 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1r45 h ALA 180 CO 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1r45 n GLN 181 N -4.49 0.00 -0.34 0.00 0.00 -1.26 -2.09 117.38 109.20 1r45 n GLN 181 Ca 0.02 0.27 0.10 0.00 0.00 0.00 0.00 57.00 57.40 1r45 n GLN 181 Cb 0.22 -1.50 0.29 0.00 0.00 0.00 0.00 30.24 29.25 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 -1.50 0.90 0.30 2.61 3.72 -0.27 -4.63 117.46 118.59 1r45 n PHE 182 Ca 0.03 -0.51 0.15 0.00 -0.05 0.00 0.00 57.45 57.08 1r45 n PHE 182 Cb 0.15 -0.02 0.70 0.00 -0.94 0.00 0.00 39.48 39.37 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 3.81 0.00 -1.54 1.37 0.00 -1.54 -1.77 103.07 103.40 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 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1r45 n GLY 184 N -0.48 0.67 3.82 4.60 0.00 -1.26 -5.00 105.19 107.54 1r45 n GLY 184 Ca -0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.46 4.19 0.49 1.61 1.81 -0.67 -4.95 118.95 119.98 1r45 s ARG 185 Ca 0.23 1.01 0.19 0.00 -1.72 0.00 0.00 55.73 55.44 1r45 s ARG 185 Cb 0.16 -2.30 1.24 0.00 -0.45 0.00 0.00 34.95 33.60 1r45 s ARG 185 CO 0.23 0.05 2.08 -1.35 -0.68 0.00 0.00 175.30 175.62 1r45 h PRO 186 N 2.11 0.00 -4.23 3.54 0.11 -1.82 -3.43 132.00 128.28 1r45 h PRO 186 Ca -0.49 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.25 1r45 h PRO 186 Cb 1.18 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.98 1r45 h PRO 186 CO 0.62 0.10 -0.77 0.42 -0.21 0.00 0.00 178.00 178.17 1r45 s ILE 187 N -4.69 0.50 -0.03 4.15 1.01 -0.76 -0.78 121.20 120.60 1r45 s ILE 187 Ca -0.04 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1r45 s ILE 187 Cb 0.16 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 42.16 1r45 s ILE 187 CO 0.66 0.18 -0.10 0.54 0.00 0.00 0.00 174.94 176.21 1r45 s VAL 188 N 0.34 0.88 -0.11 2.92 0.11 -0.48 -0.39 120.40 123.67 1r45 s VAL 188 Ca -0.04 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 1r45 s VAL 188 Cb -0.08 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1r45 s VAL 188 CO -0.00 0.27 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.02 1r45 s THR 189 N 0.22 3.08 -0.38 5.04 2.01 0.35 -0.82 115.64 125.13 1r45 s THR 189 Ca -0.04 -0.67 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 1r45 s THR 189 Cb -0.09 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.15 1r45 s THR 189 CO 0.01 0.54 0.26 -0.75 -0.69 0.00 0.00 174.62 173.99 1r45 s LYS 190 N 0.13 3.13 -0.19 4.92 2.20 0.56 -1.18 119.74 129.32 1r45 s LYS 190 Ca -0.06 -0.90 -0.17 0.00 -0.36 0.00 0.00 55.97 54.48 1r45 s LYS 190 Cb -0.15 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.25 1r45 s LYS 190 CO 0.05 -0.64 0.43 -0.06 -0.36 0.00 0.00 175.35 174.77 1r45 s PHE 191 N 1.68 3.40 -0.35 4.03 0.08 0.69 -0.85 117.98 126.65 1r45 s PHE 191 Ca 0.05 0.68 -0.13 0.00 0.12 0.00 0.00 56.93 57.65 1r45 s PHE 191 Cb -0.18 -2.54 -0.01 0.00 -0.57 0.00 0.00 43.02 39.71 1r45 s PHE 191 CO 0.10 0.02 0.25 0.15 -0.10 0.00 0.00 175.22 175.63 1r45 s LYS 192 N 1.21 3.40 -0.16 0.44 1.02 0.78 -1.11 119.74 125.32 1r45 s LYS 192 Ca 0.21 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.50 1r45 s LYS 192 Cb -0.15 -3.83 0.01 0.00 -0.52 0.00 0.00 37.83 33.35 1r45 s LYS 192 CO 0.08 -0.50 -0.21 0.08 -0.92 0.00 0.00 175.35 173.89 1r45 s VAL 193 N 1.71 2.12 0.57 3.17 1.01 0.01 -1.07 120.40 127.92 1r45 s VAL 193 Ca 0.06 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 1r45 s VAL 193 Cb -0.18 -1.86 -0.06 0.00 0.00 0.00 0.00 36.38 34.28 1r45 s VAL 193 CO 0.10 0.54 1.01 0.42 0.00 0.00 0.00 175.10 177.18 1r45 s THR 194 N 1.00 4.54 0.04 3.92 -4.23 -0.87 -0.90 115.64 119.15 1r45 s THR 194 Ca -0.02 1.03 -0.38 0.00 -1.18 0.00 0.00 61.69 61.14 1r45 s THR 194 Cb -0.15 -3.75 -0.19 0.00 1.34 0.00 0.00 72.50 69.75 1r45 s THR 194 CO -0.06 -0.88 1.01 -3.20 -0.54 0.00 0.00 174.62 170.95 1r45 n ASN 195 N -2.17 -0.05 0.00 3.99 4.05 -1.24 -1.85 115.26 117.99 1r45 n ASN 195 Ca 0.06 1.15 0.00 0.00 0.45 0.00 0.00 54.58 56.25 1r45 n ASN 195 Cb 0.54 -0.95 0.00 0.00 1.23 0.00 0.00 39.78 40.60 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 1.66 1.42 3.78 8.20 0.00 0.47 -4.93 105.19 115.79 1r45 n GLY 196 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.41 6.14 0.30 1.61 0.01 -0.77 -4.59 113.70 113.99 1r45 s SER 197 Ca 0.00 2.10 -0.29 0.00 1.31 0.00 0.00 55.95 59.07 1r45 s SER 197 Cb 0.00 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1r45 s SER 197 CO 0.00 -0.93 1.33 -0.54 0.41 0.00 0.00 173.24 173.51 1r45 s LYS 198 N -3.06 4.35 0.00 12.44 1.02 -1.25 -0.26 119.74 132.98 1r45 s LYS 198 Ca 0.67 2.20 0.00 0.00 0.02 0.00 0.00 55.97 58.87 1r45 s LYS 198 Cb -0.22 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1r45 s LYS 198 CO 0.26 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1r45 n GLY 199 N 1.24 3.78 3.40 -3.33 0.00 -0.34 -4.52 105.19 105.43 1r45 n GLY 199 Ca 0.02 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.41 -0.13 -0.02 0.00 -0.39 -2.92 107.32 103.44 1r45 s GLY 200 Ca 0.00 0.87 -0.29 0.00 0.00 0.00 0.00 44.72 45.29 1r45 s GLY 200 CO 0.00 0.57 1.14 -0.47 0.00 0.00 0.00 173.10 174.34 1r45 s TYR 201 N -1.41 3.21 -0.04 1.90 5.04 -1.26 -0.98 117.35 123.81 1r45 s TYR 201 Ca -0.11 1.30 0.01 0.00 -2.44 0.00 0.00 57.07 55.83 1r45 s TYR 201 Cb -0.02 -3.36 0.01 0.00 0.35 0.00 0.00 41.96 38.95 1r45 s TYR 201 CO 0.06 -0.99 1.01 0.44 -1.34 0.00 0.00 175.55 174.74 1r45 n ILE 202 N 4.95 1.01 -0.32 3.14 -5.35 -0.11 -4.68 119.36 118.00 1r45 n ILE 202 Ca 0.11 -1.01 0.10 0.00 -0.27 0.00 0.00 62.75 61.69 1r45 n ILE 202 Cb 0.46 0.49 0.27 0.00 -1.74 0.00 0.00 39.64 39.13 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 0.08 0.64 0.34 7.28 3.58 -1.92 -1.08 116.42 125.35 1r45 h ASP 203 Ca 0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1r45 h ASP 203 Cb 0.51 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1r45 h ASP 203 CO 0.00 0.24 0.00 -2.65 -2.88 0.00 0.00 179.24 173.95 1r45 n PRO 204 N -4.83 0.09 -0.03 0.28 -0.02 -1.26 -2.15 135.00 127.08 1r45 n PRO 204 Ca 0.20 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 62.15 1r45 n PRO 204 Cb 0.51 -1.72 0.03 0.00 -0.02 0.00 0.00 33.50 32.29 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 -1.90 0.69 -2.75 4.25 -5.35 -0.46 -5.05 119.36 108.79 1r45 n ILE 205 Ca 0.01 -0.85 -0.34 0.00 -0.27 0.00 0.00 62.75 61.30 1r45 n ILE 205 Cb 0.12 0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 38.63 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 -0.76 6.93 0.58 7.28 0.15 -0.90 -4.16 113.70 122.82 1r45 s SER 206 Ca 0.05 1.78 0.34 0.00 0.70 0.00 0.00 55.95 58.82 1r45 s SER 206 Cb 0.03 -2.56 1.82 0.00 -1.71 0.00 0.00 66.02 63.60 1r45 s SER 206 CO 0.04 -0.36 2.20 0.22 1.20 0.00 0.00 173.24 176.53 1r45 h TYR 207 N 2.19 0.00 -2.24 3.44 5.03 -1.85 -3.34 116.97 120.20 1r45 h TYR 207 Ca -0.49 0.00 -0.60 0.00 2.58 0.00 0.00 58.73 60.23 1r45 h TYR 207 Cb 1.19 0.00 -0.41 0.00 1.55 0.00 0.00 36.73 39.06 1r45 h TYR 207 CO 0.61 0.04 -0.68 1.19 -1.32 0.00 0.00 178.16 178.01 1r45 n PHE 208 N -3.48 2.93 -1.88 -3.82 3.72 -1.26 -5.01 117.46 108.65 1r45 n PHE 208 Ca -0.02 -4.07 -0.41 0.00 -0.05 0.00 0.00 57.45 52.90 1r45 n PHE 208 Cb 0.16 -0.52 -0.02 0.00 -0.94 0.00 0.00 39.48 38.16 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 -2.15 4.18 0.00 -1.08 0.04 -1.26 -2.46 135.00 132.27 1r45 s PRO 209 Ca 0.38 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1r45 s PRO 209 Cb 0.13 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1r45 s PRO 209 CO -0.04 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1r45 n GLY 210 N 2.11 1.34 0.22 0.56 0.00 -1.26 -4.94 105.19 103.22 1r45 n GLY 210 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 1.62 0.00 -5.95 1.61 4.20 -1.88 -3.47 115.11 111.24 1r45 h GLN 211 Ca 0.00 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.31 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 -0.76 1.28 -0.67 0.00 0.00 178.83 178.68 1r45 n LEU 212 N -2.79 -3.33 -4.76 1.46 4.77 -1.26 -4.63 117.00 106.47 1r45 n LEU 212 Ca 0.02 -0.68 -0.40 0.00 -0.03 0.00 0.00 56.01 54.91 1r45 n LEU 212 Cb 0.31 -2.87 -0.04 0.00 -2.33 0.00 0.00 43.42 38.49 1r45 n LEU 212 CO 0.26 0.48 0.79 -0.70 -1.33 0.00 0.00 177.39 176.89 1r45 s GLU 213 N -6.03 4.64 -0.20 3.23 2.12 -1.26 -1.39 118.70 119.80 1r45 s GLU 213 Ca 0.29 1.79 0.01 0.00 0.36 0.00 0.00 54.97 57.42 1r45 s GLU 213 Cb -0.14 -3.20 0.02 0.00 0.26 0.00 0.00 34.13 31.08 1r45 s GLU 213 CO 0.77 0.20 -0.17 0.08 -0.54 0.00 0.00 175.26 175.60 1r45 s VAL 214 N -1.06 2.22 -0.12 3.70 1.01 -0.12 -0.93 120.40 125.10 1r45 s VAL 214 Ca 0.45 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1r45 s VAL 214 Cb -0.32 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1r45 s VAL 214 CO 0.40 0.43 0.25 -0.22 0.00 0.00 0.00 175.10 175.97 1r45 s LEU 215 N 1.28 4.32 0.23 3.92 2.96 -0.15 -1.32 118.68 129.92 1r45 s LEU 215 Ca 0.03 0.55 0.10 0.00 -0.22 0.00 0.00 54.13 54.59 1r45 s LEU 215 Cb -0.14 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 1r45 s LEU 215 CO -0.11 0.24 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.31 1r45 s LEU 216 N -0.25 2.96 0.94 -0.68 1.43 -0.04 -1.27 118.68 121.78 1r45 s LEU 216 Ca 0.16 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 1r45 s LEU 216 Cb -0.13 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.58 1r45 s LEU 216 CO 0.05 0.06 0.55 -2.65 0.23 0.00 0.00 176.35 174.59 1r45 n PRO 217 N -0.39 -0.33 -1.86 1.29 -0.02 -1.26 -2.06 135.00 130.37 1r45 n PRO 217 Ca -0.08 -0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.05 1r45 n PRO 217 Cb 0.57 -1.96 0.05 0.00 -0.02 0.00 0.00 33.50 32.15 1r45 n PRO 217 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1r45 s ARG 218 N -3.84 2.76 -1.45 -0.52 1.70 -1.26 -3.74 118.95 112.60 1r45 s ARG 218 Ca 0.59 0.46 -0.12 0.00 -0.47 0.00 0.00 55.73 56.19 1r45 s ARG 218 Cb -0.21 -2.01 0.09 0.00 -0.57 0.00 0.00 34.95 32.24 1r45 s ARG 218 CO 0.66 -1.11 0.69 0.09 -1.08 0.00 0.00 175.30 174.55 1r45 n ASN 219 N -3.06 -4.18 -4.29 -2.89 3.02 -0.47 -4.89 115.26 98.50 1r45 n ASN 219 Ca 0.07 -0.59 -0.45 0.00 -0.03 0.00 0.00 54.58 53.57 1r45 n ASN 219 Cb 0.57 -3.40 -0.04 0.00 -0.61 0.00 0.00 39.78 36.30 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 -2.98 6.32 0.31 6.41 3.04 -1.25 -4.89 114.94 121.90 1r45 s ASN 220 Ca 0.53 -2.26 -0.29 0.00 0.04 0.00 0.00 52.86 50.88 1r45 s ASN 220 Cb -0.27 -2.17 -0.11 0.00 -1.54 0.00 0.00 41.25 37.16 1r45 s ASN 220 CO 0.65 -0.69 1.50 -0.55 -3.04 0.00 0.00 177.10 174.97 1r45 s SER 221 N 2.70 6.48 0.10 -4.21 0.15 -1.26 -4.57 113.70 113.09 1r45 s SER 221 Ca 0.11 2.88 0.06 0.00 0.70 0.00 0.00 55.95 59.69 1r45 s SER 221 Cb -0.20 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.43 1r45 s SER 221 CO -0.03 -0.81 -0.14 -0.72 1.20 0.00 0.00 173.24 172.74 1r45 s TYR 222 N -0.44 1.34 -0.23 3.44 -0.85 -0.28 -4.83 117.35 115.50 1r45 s TYR 222 Ca 0.58 -0.52 -0.08 0.00 -0.52 0.00 0.00 57.07 56.52 1r45 s TYR 222 Cb -0.45 -0.72 -0.04 0.00 0.38 0.00 0.00 41.96 41.13 1r45 s TYR 222 CO 0.52 0.11 0.10 -0.47 -1.52 0.00 0.00 175.55 174.29 1r45 s TYR 223 N -1.84 3.18 -0.43 -3.49 5.04 -0.54 -0.77 117.35 118.49 1r45 s TYR 223 Ca 0.05 -0.10 -0.27 0.00 -2.44 0.00 0.00 57.07 54.31 1r45 s TYR 223 Cb -0.07 -2.21 0.02 0.00 0.35 0.00 0.00 41.96 40.05 1r45 s TYR 223 CO 0.03 -0.11 1.04 0.42 -1.34 0.00 0.00 175.55 175.58 1r45 s ILE 224 N 1.18 4.38 -0.24 3.14 1.01 -0.48 -0.18 121.20 130.01 1r45 s ILE 224 Ca 0.05 1.15 0.22 0.00 0.00 0.00 0.00 60.65 62.08 1r45 s ILE 224 Cb -0.14 -4.49 -0.21 0.00 0.01 0.00 0.00 42.46 37.63 1r45 s ILE 224 CO 0.04 -0.81 0.74 -1.54 0.00 0.00 0.00 174.94 173.36 1r45 n SER 225 N 7.35 0.38 -3.66 3.58 3.41 0.03 0.19 113.62 124.89 1r45 n SER 225 Ca 0.10 -0.03 -0.15 0.00 -0.26 0.00 0.00 58.87 58.53 1r45 n SER 225 Cb 0.48 1.35 -0.08 0.00 -0.26 0.00 0.00 64.21 65.71 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 -4.52 -0.50 -0.06 4.04 2.15 -1.16 -4.76 116.67 111.87 1r45 s ASP 226 Ca -0.03 0.74 -0.02 0.00 0.43 0.00 0.00 52.55 53.66 1r45 s ASP 226 Cb 0.13 0.75 0.04 0.00 -0.30 0.00 0.00 42.92 43.54 1r45 s ASP 226 CO 0.86 -0.37 0.13 -0.04 -0.17 0.00 0.00 175.17 175.58 1r45 s MET 227 N -0.53 0.08 0.02 4.34 -1.94 -1.26 -1.11 119.30 118.90 1r45 s MET 227 Ca -0.06 0.34 -0.03 0.00 -1.71 0.00 0.00 55.69 54.23 1r45 s MET 227 Cb -0.03 -0.18 -0.01 0.00 2.01 0.00 0.00 34.83 36.61 1r45 s MET 227 CO 0.04 -0.16 0.03 -0.65 -0.01 0.00 0.00 175.02 174.27 1r45 s GLN 228 N 1.13 0.41 0.08 2.03 -1.52 -0.08 -4.98 119.66 116.72 1r45 s GLN 228 Ca -0.09 -0.61 -0.29 0.00 -1.95 0.00 0.00 55.36 52.42 1r45 s GLN 228 Cb -0.11 0.15 -0.05 0.00 -0.22 0.00 0.00 33.01 32.78 1r45 s GLN 228 CO -0.05 -0.08 0.92 0.42 -0.25 0.00 0.00 175.29 176.25 1r45 s ILE 229 N -1.73 4.61 0.92 1.08 1.01 -1.26 -0.09 121.20 125.74 1r45 s ILE 229 Ca -0.13 1.98 -0.11 0.00 0.00 0.00 0.00 60.65 62.39 1r45 s ILE 229 Cb -0.07 -4.28 0.15 0.00 0.01 0.00 0.00 42.46 38.26 1r45 s ILE 229 CO -0.01 0.30 1.10 -0.94 0.00 0.00 0.00 174.94 175.39 1r45 s SER 230 N 0.16 3.06 0.45 3.58 1.04 0.41 -4.88 113.70 117.52 1r45 s SER 230 Ca 0.46 1.82 0.16 0.00 0.48 0.00 0.00 55.95 58.87 1r45 s SER 230 Cb -0.22 -2.41 1.09 0.00 0.10 0.00 0.00 66.02 64.57 1r45 s SER 230 CO 0.28 -2.95 1.98 -0.65 0.98 0.00 0.00 173.24 172.88 1r45 h PRO 231 N -1.76 0.33 -0.04 4.02 0.11 -1.96 -0.74 132.00 131.95 1r45 h PRO 231 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1r45 h PRO 231 Cb 1.28 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1r45 h PRO 231 CO 0.48 0.22 0.00 0.27 -0.21 0.00 0.00 178.00 178.76 1r45 n ASN 232 N -4.46 0.73 -0.26 -2.05 0.23 -1.26 -4.89 115.26 103.29 1r45 n ASN 232 Ca 0.10 -1.38 -0.03 0.00 -0.53 0.00 0.00 54.58 52.73 1r45 n ASN 232 Cb 0.41 -0.02 -0.01 0.00 -2.08 0.00 0.00 39.78 38.07 1r45 n ASN 232 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1r45 n ASN 233 N -0.37 -4.81 -0.19 0.53 3.02 -0.29 -4.85 115.26 108.29 1r45 n ASN 233 Ca 0.19 0.08 0.02 0.00 -0.03 0.00 0.00 54.58 54.84 1r45 n ASN 233 Cb 0.21 -2.61 0.03 0.00 -0.61 0.00 0.00 39.78 36.79 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 -1.03 0.51 -3.96 3.52 1.74 -1.26 -0.76 116.66 115.42 1r45 n ARG 234 Ca -0.03 -1.01 -0.10 0.00 -0.77 0.00 0.00 57.85 55.94 1r45 n ARG 234 Cb 0.35 -1.09 -0.11 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.53 0.29 -0.19 5.56 0.74 -1.26 -4.66 119.66 119.60 1r45 s GLN 235 Ca 0.06 -0.51 -0.09 0.00 0.05 0.00 0.00 55.36 54.87 1r45 s GLN 235 Cb 0.04 0.11 -0.05 0.00 1.10 0.00 0.00 33.01 34.21 1r45 s GLN 235 CO 0.05 -0.05 0.10 0.42 -0.55 0.00 0.00 175.29 175.26 1r45 s ILE 236 N -1.27 5.11 -0.24 -2.34 1.01 0.04 -0.45 121.20 123.07 1r45 s ILE 236 Ca -0.14 0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 1r45 s ILE 236 Cb -0.09 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 1r45 s ILE 236 CO -0.01 0.44 0.03 -0.04 0.00 0.00 0.00 174.94 175.37 1r45 s MET 237 N 0.41 3.56 -0.08 2.79 -1.94 0.87 -1.38 119.30 123.54 1r45 s MET 237 Ca 0.06 -0.53 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 1r45 s MET 237 Cb -0.12 -3.22 -0.03 0.00 2.01 0.00 0.00 34.83 33.48 1r45 s MET 237 CO -0.01 -0.19 -0.10 0.42 -0.01 0.00 0.00 175.02 175.13 1r45 s ILE 238 N 1.57 3.39 -0.10 2.53 1.01 -0.00 -0.91 121.20 128.68 1r45 s ILE 238 Ca 0.06 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 1r45 s ILE 238 Cb -0.15 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 1r45 s ILE 238 CO 0.01 0.58 -0.08 -0.89 0.00 0.00 0.00 174.94 174.56 1r45 s THR 239 N -0.54 3.56 0.06 2.92 2.01 -0.27 -0.32 115.64 123.06 1r45 s THR 239 Ca 0.08 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.61 1r45 s THR 239 Cb -0.12 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1r45 s THR 239 CO 0.02 0.55 -0.12 0.00 -0.69 0.00 0.00 174.62 174.38 1r45 s ALA 240 N -0.22 0.94 -0.08 7.40 0.00 -0.03 -0.79 121.76 128.97 1r45 s ALA 240 Ca 0.03 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1r45 s ALA 240 Cb -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1r45 s ALA 240 CO 0.03 0.09 -0.21 -1.64 0.00 0.00 0.00 175.76 174.03 1r45 s MET 241 N -1.67 2.64 -0.02 0.00 -1.94 0.74 -0.15 119.30 118.89 1r45 s MET 241 Ca -0.05 -0.78 0.05 0.00 -1.71 0.00 0.00 55.69 53.20 1r45 s MET 241 Cb -0.10 -2.06 -0.01 0.00 2.01 0.00 0.00 34.83 34.67 1r45 s MET 241 CO 0.02 0.18 -0.17 0.42 -0.01 0.00 0.00 175.02 175.46 1r45 s ILE 242 N 0.32 1.34 0.00 2.53 1.01 -0.23 -1.47 121.20 124.70 1r45 s ILE 242 Ca -0.15 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1r45 s ILE 242 Cb -0.17 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.17 1r45 s ILE 242 CO 0.07 0.38 0.37 0.49 0.00 0.00 0.00 174.94 176.25 1r45 n PHE 243 N 2.85 0.00 -1.39 3.97 3.72 -1.26 -2.04 117.46 123.31 1r45 n PHE 243 Ca -0.16 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1r45 n PHE 243 Cb 0.54 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1r45 n PHE 243 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07