#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shu s ARG 40 N -3.50 1.36 -0.03 0.00 0.52 -0.31 -4.74 118.95 112.24 1shu s ARG 40 Ca 0.74 -1.48 0.05 0.00 -0.52 0.00 0.00 55.73 54.52 1shu s ARG 40 Cb -0.27 -1.44 -0.07 0.00 0.52 0.00 0.00 34.95 33.69 1shu s ARG 40 CO 0.34 0.29 0.06 0.54 0.02 0.00 0.00 175.30 176.55 1shu n ARG 41 N 0.15 2.00 -3.54 3.54 1.74 -1.26 -1.41 116.66 117.88 1shu n ARG 41 Ca -0.12 -0.02 -0.38 0.00 -0.77 0.00 0.00 57.85 56.56 1shu n ARG 41 Cb 0.57 -1.13 -0.10 0.00 -1.02 0.00 0.00 32.46 30.79 1shu n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1shu s ALA 42 N -2.23 3.57 0.01 7.54 0.00 -1.26 -4.70 121.76 124.69 1shu s ALA 42 Ca -0.02 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.10 1shu s ALA 42 Cb 0.02 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 1shu s ALA 42 CO 0.22 -0.41 -0.13 -0.06 0.00 0.00 0.00 175.76 175.38 1shu s PHE 43 N 1.52 1.11 -0.24 0.00 0.40 -0.73 -4.59 117.98 115.45 1shu s PHE 43 Ca 0.11 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1shu s PHE 43 Cb -0.15 -0.69 0.02 0.00 0.51 0.00 0.00 43.02 42.71 1shu s PHE 43 CO 0.08 0.00 -0.06 -0.51 0.70 0.00 0.00 175.22 175.43 1shu s ASP 44 N -0.66 4.27 -0.29 1.36 1.01 -0.34 -1.62 116.67 120.40 1shu s ASP 44 Ca 0.03 -0.75 -0.08 0.00 0.71 0.00 0.00 52.55 52.46 1shu s ASP 44 Cb -0.06 -1.68 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 1shu s ASP 44 CO 0.00 -0.10 0.11 -0.76 0.21 0.00 0.00 175.17 174.63 1shu s LEU 45 N 1.36 3.87 -0.39 1.23 1.43 0.27 -0.87 118.68 125.58 1shu s LEU 45 Ca 0.02 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 1shu s LEU 45 Cb -0.16 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.16 1shu s LEU 45 CO -0.04 -0.15 0.24 -0.31 0.23 0.00 0.00 176.35 176.31 1shu s TYR 46 N 1.58 3.26 -0.28 0.29 2.02 0.46 -1.26 117.35 123.43 1shu s TYR 46 Ca 0.04 -1.08 -0.23 0.00 -0.37 0.00 0.00 57.07 55.44 1shu s TYR 46 Cb -0.17 -2.61 -0.01 0.00 -0.40 0.00 0.00 41.96 38.78 1shu s TYR 46 CO 0.04 -0.71 0.75 -0.06 -1.57 0.00 0.00 175.55 174.01 1shu s PHE 47 N 1.54 3.25 -0.39 2.71 0.40 -0.27 -0.77 117.98 124.44 1shu s PHE 47 Ca 0.02 0.87 -0.05 0.00 -0.60 0.00 0.00 56.93 57.18 1shu s PHE 47 Cb -0.20 -3.08 0.09 0.00 0.51 0.00 0.00 43.02 40.33 1shu s PHE 47 CO 0.06 -0.47 0.18 0.08 0.70 0.00 0.00 175.22 175.77 1shu s VAL 48 N 2.81 3.53 -0.20 -0.44 1.01 -0.09 -0.45 120.40 126.56 1shu s VAL 48 Ca 0.31 -1.71 -0.03 0.00 0.00 0.00 0.00 61.98 60.55 1shu s VAL 48 Cb -0.15 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1shu s VAL 48 CO 0.10 -0.51 -0.06 -0.76 0.00 0.00 0.00 175.10 173.87 1shu s LEU 49 N 1.25 2.87 -0.18 3.92 1.43 0.61 -1.34 118.68 127.25 1shu s LEU 49 Ca 0.04 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 1shu s LEU 49 Cb -0.22 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1shu s LEU 49 CO -0.02 0.02 1.55 -0.62 0.23 0.00 0.00 176.35 177.52 1shu s ASP 50 N 1.21 6.55 -0.27 2.29 -1.08 -0.59 -1.33 116.67 123.45 1shu s ASP 50 Ca 0.02 1.75 0.09 0.00 -0.52 0.00 0.00 52.55 53.89 1shu s ASP 50 Cb -0.14 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.23 1shu s ASP 50 CO -0.02 -1.10 1.25 2.29 0.52 0.00 0.00 175.17 178.12 1shu n LYS 51 N 7.36 2.53 -1.57 4.34 2.85 -0.18 -4.93 118.16 128.56 1shu n LYS 51 Ca 0.17 -3.68 -0.30 0.00 -1.05 0.00 0.00 58.31 53.46 1shu n LYS 51 Cb 0.45 -1.95 0.09 0.00 -0.65 0.00 0.00 35.03 32.97 1shu n LYS 51 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1shu s SER 52 N -3.30 4.51 0.46 -5.58 1.04 -1.24 -1.12 113.70 108.48 1shu s SER 52 Ca 0.45 1.28 0.14 0.00 0.48 0.00 0.00 55.95 58.30 1shu s SER 52 Cb 0.39 -2.01 1.10 0.00 0.10 0.00 0.00 66.02 65.61 1shu s SER 52 CO -0.01 -1.96 2.05 1.23 0.98 0.00 0.00 173.24 175.53 1shu h GLY 53 N -1.08 0.34 2.00 7.32 0.00 -1.03 -2.49 103.07 108.13 1shu h GLY 53 Ca -0.47 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1shu h GLY 53 CO 0.60 0.09 -0.09 1.48 0.00 0.00 0.00 176.54 178.61 1shu h SER 54 N 0.28 0.00 -0.64 0.19 4.64 -1.93 -2.60 113.55 113.49 1shu h SER 54 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1shu h SER 54 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1shu h SER 54 CO -0.03 0.09 0.00 1.33 -0.87 0.00 0.00 176.83 177.35 1shu n VAL 55 N -3.78 0.91 -0.33 0.95 0.24 -0.94 -4.72 118.33 110.66 1shu n VAL 55 Ca -0.02 -0.95 0.01 0.00 -2.04 0.00 0.00 64.34 61.34 1shu n VAL 55 Cb 0.19 0.59 0.15 0.00 -1.47 0.00 0.00 33.84 33.30 1shu n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1shu h ALA 56 N 4.12 1.25 0.00 2.33 0.00 -1.51 -0.71 119.26 124.75 1shu h ALA 56 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1shu h ALA 56 Cb 0.97 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1shu h ALA 56 CO 0.00 0.35 0.00 0.09 0.00 0.00 0.00 179.25 179.69 1shu n ASN 57 N -4.57 0.01 -0.12 0.00 5.03 -1.26 -3.06 115.26 111.29 1shu n ASN 57 Ca 0.13 0.50 0.10 0.00 0.87 0.00 0.00 54.58 56.18 1shu n ASN 57 Cb 0.17 -0.50 0.15 0.00 -1.02 0.00 0.00 39.78 38.57 1shu n ASN 57 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1shu n ASN 58 N -1.51 2.31 -0.05 6.41 4.13 -0.30 -4.77 115.26 121.49 1shu n ASN 58 Ca 0.05 -3.15 0.00 0.00 1.68 0.00 0.00 54.58 53.16 1shu n ASN 58 Cb 0.25 -0.44 0.30 0.00 -1.54 0.00 0.00 39.78 38.35 1shu n ASN 58 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 1shu h TRP 59 N 0.09 0.64 -0.85 3.10 2.91 -1.41 -1.98 115.95 118.46 1shu h TRP 59 Ca 0.00 -0.04 0.12 0.00 1.13 0.00 0.00 58.89 60.11 1shu h TRP 59 Cb 1.00 -0.20 -0.08 0.00 -0.51 0.00 0.00 29.16 29.37 1shu h TRP 59 CO 0.06 0.53 0.47 0.97 -1.03 0.00 0.00 178.44 179.44 1shu h ILE 60 N 0.63 0.82 -0.77 2.65 6.09 -1.86 -0.28 117.51 124.79 1shu h ILE 60 Ca 0.15 -0.25 -0.04 0.00 -1.37 0.00 0.00 64.86 63.35 1shu h ILE 60 Cb 0.19 0.04 -0.03 0.00 0.47 0.00 0.00 36.82 37.48 1shu h ILE 60 CO -0.01 0.13 0.32 -0.33 -3.07 0.00 0.00 178.15 175.19 1shu h GLU 61 N 0.72 1.15 0.13 2.19 5.08 -1.73 -0.25 114.58 121.87 1shu h GLU 61 Ca 0.43 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1shu h GLU 61 Cb 0.51 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1shu h GLU 61 CO -0.30 0.92 -0.06 0.82 -1.00 0.00 0.00 179.01 179.39 1shu h ILE 62 N 1.12 1.02 -0.36 3.13 2.04 -1.25 -2.40 117.51 120.82 1shu h ILE 62 Ca 0.26 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.46 1shu h ILE 62 Cb 0.20 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1shu h ILE 62 CO -0.02 0.17 -0.01 0.22 0.00 0.00 0.00 178.15 178.51 1shu h TYR 63 N -0.52 -0.03 -0.93 1.37 3.20 -1.00 -2.25 116.97 116.81 1shu h TYR 63 Ca -0.02 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1shu h TYR 63 Cb 0.41 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 1shu h TYR 63 CO 0.04 -0.07 0.58 -0.91 -1.64 0.00 0.00 178.16 176.15 1shu h ASN 64 N 0.09 1.10 -0.26 -2.11 2.35 -1.06 0.45 115.58 116.14 1shu h ASN 64 Ca 0.17 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1shu h ASN 64 Cb 0.24 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1shu h ASN 64 CO -0.30 0.83 0.15 0.15 -1.65 0.00 0.00 177.43 176.61 1shu h PHE 65 N 1.27 0.35 -0.38 1.19 3.57 -1.06 -0.47 116.94 121.41 1shu h PHE 65 Ca 0.34 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1shu h PHE 65 Cb -0.09 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1shu h PHE 65 CO 0.00 0.28 0.15 0.28 -2.23 0.00 0.00 178.31 176.79 1shu h VAL 66 N 0.32 1.20 -0.61 1.41 2.07 -0.83 -1.62 116.25 118.18 1shu h VAL 66 Ca 0.09 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1shu h VAL 66 Cb 0.04 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1shu h VAL 66 CO -0.02 0.22 0.26 -0.61 0.02 0.00 0.00 177.57 177.44 1shu h GLN 67 N 0.47 0.91 -0.58 1.57 -0.00 -0.78 -1.48 115.11 115.22 1shu h GLN 67 Ca 0.13 -0.16 -0.07 0.00 -0.00 0.00 0.00 58.65 58.55 1shu h GLN 67 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.50 1shu h GLN 67 CO -0.01 0.76 0.08 1.96 0.00 0.00 0.00 178.83 181.62 1shu h GLN 68 N 0.85 0.94 -0.10 1.69 4.20 -0.86 -0.88 115.11 120.95 1shu h GLN 68 Ca 0.21 -0.24 -0.21 0.00 0.06 0.00 0.00 58.65 58.47 1shu h GLN 68 Cb 0.18 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1shu h GLN 68 CO -0.02 0.88 -0.78 1.25 -0.67 0.00 0.00 178.83 179.49 1shu h LEU 69 N 0.89 0.68 -0.95 1.46 5.85 -1.07 -1.99 115.31 120.17 1shu h LEU 69 Ca 0.18 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1shu h LEU 69 Cb 0.41 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1shu h LEU 69 CO 0.01 1.22 0.63 0.00 -0.34 0.00 0.00 178.44 179.96 1shu h ALA 70 N 0.76 1.22 -0.67 1.25 0.00 -1.13 -2.27 119.26 118.41 1shu h ALA 70 Ca -0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1shu h ALA 70 Cb 1.38 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1shu h ALA 70 CO 0.14 0.57 0.12 1.49 0.00 0.00 0.00 179.25 181.58 1shu h GLU 71 N 1.26 1.11 -0.72 0.00 4.81 -0.99 -2.84 114.58 117.22 1shu h GLU 71 Ca 0.36 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1shu h GLU 71 Cb -0.11 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 1shu h GLU 71 CO -0.09 1.01 0.25 -0.09 -0.73 0.00 0.00 179.01 179.36 1shu h ARG 72 N 1.03 1.10 -3.91 1.92 9.65 -0.96 -3.40 114.38 119.81 1shu h ARG 72 Ca 0.21 -0.22 -0.68 0.00 -1.10 0.00 0.00 59.98 58.18 1shu h ARG 72 Cb 0.43 -0.17 -0.36 0.00 -1.39 0.00 0.00 29.97 28.48 1shu h ARG 72 CO 0.01 0.93 -0.49 -0.06 2.80 0.00 0.00 179.97 183.16 1shu s PHE 73 N -5.47 3.45 -0.50 2.20 0.08 -0.89 -4.91 117.98 111.95 1shu s PHE 73 Ca -0.12 -2.73 0.14 0.00 0.12 0.00 0.00 56.93 54.33 1shu s PHE 73 Cb 0.15 -3.12 -0.16 0.00 -0.57 0.00 0.00 43.02 39.31 1shu s PHE 73 CO 0.83 -0.87 0.51 0.28 -0.10 0.00 0.00 175.22 175.87 1shu n VAL 74 N 3.81 0.00 -1.56 -0.44 0.31 -1.26 -4.81 118.33 114.38 1shu n VAL 74 Ca 0.04 -0.21 -0.40 0.00 -0.01 0.00 0.00 64.34 63.76 1shu n VAL 74 Cb 0.38 0.82 0.03 0.00 -0.91 0.00 0.00 33.84 34.16 1shu n VAL 74 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1shu n SER 75 N -1.47 0.34 0.18 4.52 2.88 -1.26 -4.89 113.62 113.92 1shu n SER 75 Ca 0.01 0.89 0.03 0.00 -1.33 0.00 0.00 58.87 58.47 1shu n SER 75 Cb 0.24 -1.29 0.34 0.00 -0.75 0.00 0.00 64.21 62.75 1shu n SER 75 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1shu h PRO 76 N 0.87 0.00 0.00 -1.46 0.11 -1.95 -1.24 132.00 128.33 1shu h PRO 76 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1shu h PRO 76 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1shu h PRO 76 CO 0.52 0.41 0.00 0.39 -0.21 0.00 0.00 178.00 179.11 1shu n GLU 77 N -3.90 0.17 -3.32 1.05 1.02 -1.26 -4.16 120.64 110.24 1shu n GLU 77 Ca -0.01 0.16 -0.47 0.00 -0.02 0.00 0.00 57.16 56.82 1shu n GLU 77 Cb 0.46 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 1shu n GLU 77 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1shu s MET 78 N -2.67 3.46 0.10 3.49 -1.94 -0.47 -1.78 119.30 119.49 1shu s MET 78 Ca 0.13 -2.28 -0.17 0.00 -1.71 0.00 0.00 55.69 51.67 1shu s MET 78 Cb 0.11 -4.41 -0.07 0.00 2.01 0.00 0.00 34.83 32.47 1shu s MET 78 CO 0.25 -1.31 0.55 1.03 -0.01 0.00 0.00 175.02 175.53 1shu s ARG 79 N 0.54 4.09 0.08 2.03 0.52 -0.64 -4.71 118.95 120.86 1shu s ARG 79 Ca 0.15 0.61 0.09 0.00 -0.52 0.00 0.00 55.73 56.06 1shu s ARG 79 Cb -0.15 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 1shu s ARG 79 CO -0.06 0.58 -0.22 -0.51 0.02 0.00 0.00 175.30 175.11 1shu s LEU 80 N -1.46 2.47 -0.02 2.53 1.43 -0.14 -0.57 118.68 122.92 1shu s LEU 80 Ca 0.32 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1shu s LEU 80 Cb -0.17 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.64 1shu s LEU 80 CO 0.18 0.22 -0.06 -0.55 0.23 0.00 0.00 176.35 176.38 1shu s SER 81 N -1.67 0.86 -0.18 2.29 0.15 -0.39 -1.21 113.70 113.55 1shu s SER 81 Ca 0.15 -0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.63 1shu s SER 81 Cb -0.10 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 63.95 1shu s SER 81 CO 0.06 0.03 -0.04 -0.36 1.20 0.00 0.00 173.24 174.13 1shu s PHE 82 N 0.26 2.99 -0.05 3.44 0.08 -0.50 -1.11 117.98 123.08 1shu s PHE 82 Ca -0.03 -0.52 0.04 0.00 0.12 0.00 0.00 56.93 56.54 1shu s PHE 82 Cb -0.07 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.36 1shu s PHE 82 CO -0.00 -0.22 -0.18 0.42 -0.10 0.00 0.00 175.22 175.14 1shu s ILE 83 N 0.78 1.51 0.15 0.64 1.01 0.40 -0.82 121.20 124.88 1shu s ILE 83 Ca -0.01 -0.75 0.10 0.00 0.00 0.00 0.00 60.65 59.98 1shu s ILE 83 Cb -0.15 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1shu s ILE 83 CO 0.02 0.43 -0.18 0.68 0.00 0.00 0.00 174.94 175.89 1shu s VAL 84 N 0.12 2.77 -0.06 2.92 -7.23 -0.37 -0.29 120.40 118.26 1shu s VAL 84 Ca -0.07 -1.70 -0.08 0.00 -1.81 0.00 0.00 61.98 58.33 1shu s VAL 84 Cb -0.13 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.52 1shu s VAL 84 CO 0.03 -0.01 0.21 0.72 -0.31 0.00 0.00 175.10 175.74 1shu s PHE 85 N -1.42 -0.19 0.00 2.82 -0.12 -0.44 -1.29 117.98 117.34 1shu s PHE 85 Ca 0.20 0.45 0.00 0.00 -0.05 0.00 0.00 56.93 57.53 1shu s PHE 85 Cb -0.09 0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.36 1shu s PHE 85 CO 0.11 -0.16 0.00 -1.13 -0.05 0.00 0.00 175.22 173.99 1shu n SER 86 N 2.60 0.00 -0.30 1.98 3.41 -1.26 -1.01 113.62 119.05 1shu n SER 86 Ca -0.15 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.60 1shu n SER 86 Cb 0.58 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.13 1shu n SER 86 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1shu n SER 87 N 0.00 0.98 -3.76 4.04 3.41 -1.13 -0.56 113.62 116.59 1shu n SER 87 Ca 0.00 -1.17 -0.10 0.00 -0.26 0.00 0.00 58.87 57.34 1shu n SER 87 Cb 0.00 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1shu n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1shu s GLN 88 N -2.14 1.31 0.09 4.33 0.00 -1.26 -4.96 119.66 117.02 1shu s GLN 88 Ca 0.37 -0.89 0.07 0.00 -0.00 0.00 0.00 55.36 54.91 1shu s GLN 88 Cb 0.21 0.49 -0.03 0.00 0.00 0.00 0.00 33.01 33.68 1shu s GLN 88 CO 0.39 -0.54 -0.19 0.00 0.00 0.00 0.00 175.29 174.94 1shu s ALA 89 N -3.88 1.67 -0.03 2.60 0.00 -1.26 -4.36 121.76 116.50 1shu s ALA 89 Ca 0.10 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.82 1shu s ALA 89 Cb -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1shu s ALA 89 CO -0.03 0.33 0.17 0.95 0.00 0.00 0.00 175.76 177.17 1shu s THR 90 N -1.12 0.05 -0.68 0.00 -4.23 -0.41 -5.01 115.64 104.24 1shu s THR 90 Ca 0.05 -0.38 -0.25 0.00 -1.18 0.00 0.00 61.69 59.92 1shu s THR 90 Cb -0.10 -0.37 0.05 0.00 1.34 0.00 0.00 72.50 73.42 1shu s THR 90 CO 0.03 -0.21 1.12 -0.63 -0.54 0.00 0.00 174.62 174.40 1shu s ILE 91 N -0.74 4.03 0.01 2.99 1.01 -1.26 -1.23 121.20 126.01 1shu s ILE 91 Ca -0.08 0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.52 1shu s ILE 91 Cb -0.05 -4.78 -0.17 0.00 0.01 0.00 0.00 42.46 37.47 1shu s ILE 91 CO 0.01 -1.59 1.27 0.40 0.00 0.00 0.00 174.94 175.03 1shu h ILE 92 N 6.02 1.39 -3.58 2.92 1.08 -1.34 -3.42 117.51 120.58 1shu h ILE 92 Ca -0.28 -1.39 -0.63 0.00 -0.39 0.00 0.00 64.86 62.17 1shu h ILE 92 Cb 1.06 2.09 -0.39 0.00 -3.07 0.00 0.00 36.82 36.51 1shu h ILE 92 CO 1.22 0.39 -0.76 -0.22 -0.69 0.00 0.00 178.15 178.09 1shu s LEU 93 N -9.02 3.32 0.53 1.44 2.96 -0.80 -4.93 118.68 112.19 1shu s LEU 93 Ca -0.15 -1.62 -0.22 0.00 -0.22 0.00 0.00 54.13 51.92 1shu s LEU 93 Cb 0.04 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.37 1shu s LEU 93 CO 0.74 -0.32 1.37 -2.65 -1.32 0.00 0.00 176.35 174.17 1shu n PRO 94 N 4.54 1.76 -1.66 0.98 -0.02 -1.26 -1.41 135.00 137.94 1shu n PRO 94 Ca -0.05 0.65 -0.57 0.00 -2.02 0.00 0.00 63.50 61.51 1shu n PRO 94 Cb 0.43 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.25 1shu n PRO 94 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1shu n LEU 95 N -0.89 1.88 -3.50 2.45 7.94 -1.26 -4.69 117.00 118.92 1shu n LEU 95 Ca 0.10 1.11 -0.16 0.00 -1.11 0.00 0.00 56.01 55.95 1shu n LEU 95 Cb 0.44 -1.12 -0.05 0.00 0.53 0.00 0.00 43.42 43.22 1shu n LEU 95 CO 0.54 -0.77 0.48 0.28 -1.11 0.00 0.00 177.39 176.81 1shu s THR 96 N 2.26 0.00 -2.45 1.96 -1.32 -0.35 -4.93 115.64 110.80 1shu s THR 96 Ca 0.94 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.63 1shu s THR 96 Cb -1.09 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 69.14 1shu s THR 96 CO 0.60 0.00 1.21 0.61 -2.21 0.00 0.00 174.62 174.84 1shu n GLY 97 N 0.57 0.99 3.64 6.08 0.00 -1.26 -0.97 105.19 114.24 1shu n GLY 97 Ca -0.17 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 1shu n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1shu s ASP 98 N -1.61 6.70 0.51 1.61 2.15 -1.26 -4.72 116.67 120.05 1shu s ASP 98 Ca 0.28 1.35 0.30 0.00 0.43 0.00 0.00 52.55 54.91 1shu s ASP 98 Cb 0.18 -2.54 1.18 0.00 -0.30 0.00 0.00 42.92 41.45 1shu s ASP 98 CO 0.27 -1.03 1.92 0.03 -0.17 0.00 0.00 175.17 176.18 1shu h ARG 99 N 9.23 0.00 -0.16 4.34 -0.00 -1.94 -1.69 114.38 124.16 1shu h ARG 99 Ca -0.27 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.18 1shu h ARG 99 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.07 1shu h ARG 99 CO 1.02 0.07 0.00 0.78 0.00 0.00 0.00 179.97 181.84 1shu h GLY 100 N 2.13 0.30 1.04 0.04 0.00 -1.99 -0.41 103.07 104.18 1shu h GLY 100 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1shu h GLY 100 CO 0.01 0.20 0.57 0.50 0.00 0.00 0.00 176.54 177.82 1shu h LYS 101 N 0.03 1.28 -0.63 4.80 1.57 -1.93 -2.24 116.57 119.45 1shu h LYS 101 Ca 0.05 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1shu h LYS 101 Cb 0.37 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1shu h LYS 101 CO 0.01 0.89 0.08 0.82 -0.57 0.00 0.00 179.45 180.68 1shu h ILE 102 N 1.30 1.26 -0.92 1.86 2.04 -1.12 0.80 117.51 122.73 1shu h ILE 102 Ca 0.34 -1.05 0.05 0.00 1.00 0.00 0.00 64.86 65.20 1shu h ILE 102 Cb -0.06 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1shu h ILE 102 CO -0.06 0.39 0.59 -1.28 0.00 0.00 0.00 178.15 177.78 1shu h SER 103 N 0.96 0.96 0.22 1.72 0.87 -0.78 -0.80 113.55 116.70 1shu h SER 103 Ca 0.19 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.55 1shu h SER 103 Cb 0.46 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1shu h SER 103 CO 0.02 0.64 -0.79 0.50 -0.53 0.00 0.00 176.83 176.67 1shu h LYS 104 N 1.11 0.46 -0.84 2.24 1.63 -0.97 -1.83 116.57 118.37 1shu h LYS 104 Ca 0.38 -0.40 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1shu h LYS 104 Cb 0.08 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.76 1shu h LYS 104 CO -0.14 1.04 0.51 0.78 -3.45 0.00 0.00 179.45 178.18 1shu h GLY 105 N 1.18 1.21 1.03 5.01 0.00 -0.18 -0.36 103.07 110.97 1shu h GLY 105 Ca -0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1shu h GLY 105 CO 0.14 0.49 0.07 1.41 0.00 0.00 0.00 176.54 178.64 1shu h LEU 106 N 1.15 0.93 -0.53 3.11 3.38 -1.02 -0.70 115.31 121.63 1shu h LEU 106 Ca 0.30 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1shu h LEU 106 Cb -0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1shu h LEU 106 CO -0.06 0.97 0.29 -0.33 0.09 0.00 0.00 178.44 179.40 1shu h GLU 107 N 0.85 0.55 -0.66 1.13 5.08 -0.81 -0.77 114.58 119.95 1shu h GLU 107 Ca 0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1shu h GLU 107 Cb 0.45 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1shu h GLU 107 CO 0.02 0.36 0.37 -0.44 -1.00 0.00 0.00 179.01 178.32 1shu h ASP 108 N 0.57 0.82 0.25 1.42 3.32 -0.90 -2.71 116.42 119.19 1shu h ASP 108 Ca 0.22 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1shu h ASP 108 Cb 0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1shu h ASP 108 CO -0.13 0.67 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.67 1shu h LEU 109 N 0.90 0.11 -1.36 1.55 3.38 -0.77 -3.04 115.31 116.08 1shu h LEU 109 Ca 0.23 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1shu h LEU 109 Cb 0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1shu h LEU 109 CO -0.04 0.43 -0.31 0.50 0.09 0.00 0.00 178.44 179.11 1shu h LYS 110 N 0.10 0.01 -0.12 1.13 3.64 -0.81 -2.58 116.57 117.94 1shu h LYS 110 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1shu h LYS 110 Cb 0.62 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1shu h LYS 110 CO 0.04 0.33 0.00 0.54 -2.27 0.00 0.00 179.45 178.09 1shu n ARG 111 N -4.16 1.72 -2.03 1.90 1.74 -1.15 -4.97 116.66 109.71 1shu n ARG 111 Ca -0.02 -1.07 -0.40 0.00 -0.77 0.00 0.00 57.85 55.59 1shu n ARG 111 Cb 0.36 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 1shu n ARG 111 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1shu s VAL 112 N -1.86 2.55 -0.48 1.55 1.01 -0.98 -4.99 120.40 117.20 1shu s VAL 112 Ca 0.34 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.86 1shu s VAL 112 Cb 0.19 -3.32 0.13 0.00 0.00 0.00 0.00 36.38 33.38 1shu s VAL 112 CO 0.29 0.10 0.24 -0.55 0.00 0.00 0.00 175.10 175.18 1shu s SER 113 N -0.56 4.74 0.39 3.32 0.15 -1.26 -5.09 113.70 115.39 1shu s SER 113 Ca 0.54 -2.64 -0.27 0.00 0.70 0.00 0.00 55.95 54.28 1shu s SER 113 Cb -0.40 -1.71 -0.09 0.00 -1.71 0.00 0.00 66.02 62.11 1shu s SER 113 CO 0.53 -0.34 1.32 -2.84 1.20 0.00 0.00 173.24 173.11 1shu s PRO 114 N 0.24 4.05 -0.08 5.44 0.02 -1.26 -5.00 135.00 138.41 1shu s PRO 114 Ca 0.14 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.07 1shu s PRO 114 Cb -0.23 -2.84 0.11 0.00 0.02 0.00 0.00 34.50 31.57 1shu s PRO 114 CO -0.03 -0.44 0.94 0.54 -0.33 0.00 0.00 177.00 177.68 1shu s VAL 115 N -1.22 0.00 0.00 3.83 0.11 -0.27 -4.54 120.40 118.30 1shu s VAL 115 Ca 0.55 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 1shu s VAL 115 Cb -0.39 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.46 1shu s VAL 115 CO 0.51 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.89 1shu n GLY 116 N 0.26 -1.91 3.72 6.54 0.00 -1.26 -3.59 105.19 108.94 1shu n GLY 116 Ca -0.10 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 1shu n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1shu n GLU 117 N 0.00 -1.02 -3.69 1.61 1.02 -1.26 -0.80 120.64 116.50 1shu n GLU 117 Ca 0.00 -2.11 -0.27 0.00 -0.02 0.00 0.00 57.16 54.76 1shu n GLU 117 Cb 0.00 -1.18 -0.11 0.00 -0.02 0.00 0.00 31.44 30.13 1shu n GLU 117 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1shu n THR 118 N -3.58 0.95 -2.91 2.62 -1.04 -1.25 -2.85 114.28 106.23 1shu n THR 118 Ca 0.16 -4.54 -0.43 0.00 -2.04 0.00 0.00 64.05 57.20 1shu n THR 118 Cb 0.56 -2.04 0.01 0.00 -1.82 0.00 0.00 70.33 67.04 1shu n THR 118 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1shu n TYR 119 N 1.99 2.65 0.11 -1.42 4.01 0.27 -4.80 117.16 119.97 1shu n TYR 119 Ca 0.24 -2.73 0.06 0.00 -0.16 0.00 0.00 57.90 55.31 1shu n TYR 119 Cb 0.40 -1.43 0.53 0.00 -0.31 0.00 0.00 39.34 38.52 1shu n TYR 119 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1shu h ILE 120 N 3.52 1.04 -0.69 -0.72 2.10 -1.93 -1.09 117.51 119.74 1shu h ILE 120 Ca 0.23 -0.10 0.05 0.00 1.08 0.00 0.00 64.86 66.12 1shu h ILE 120 Cb 0.64 0.71 -0.04 0.00 -1.09 0.00 0.00 36.82 37.04 1shu h ILE 120 CO 1.36 0.05 0.45 1.12 -1.08 0.00 0.00 178.15 180.06 1shu h HIS 121 N 0.30 0.74 -0.39 2.19 2.07 -1.87 -1.05 115.15 117.14 1shu h HIS 121 Ca 0.10 0.02 -0.11 0.00 -2.85 0.00 0.00 60.37 57.53 1shu h HIS 121 Cb 0.02 -0.25 -0.02 0.00 2.57 0.00 0.00 27.41 29.74 1shu h HIS 121 CO -0.00 0.41 -0.20 0.93 -3.07 0.00 0.00 177.93 176.00 1shu h GLU 122 N 0.75 0.76 -0.34 5.12 5.08 -1.59 -0.87 114.58 123.50 1shu h GLU 122 Ca 0.29 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1shu h GLU 122 Cb 0.19 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1shu h GLU 122 CO -0.09 0.90 -0.13 0.78 -1.00 0.00 0.00 179.01 179.47 1shu h GLY 123 N 0.97 0.75 1.13 -3.84 0.00 -1.33 -2.78 103.07 97.96 1shu h GLY 123 Ca 0.10 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1shu h GLY 123 CO 0.05 0.59 0.52 1.41 0.00 0.00 0.00 176.54 179.12 1shu h LEU 124 N 0.47 1.02 -1.21 3.11 3.38 -1.11 -2.32 115.31 118.65 1shu h LEU 124 Ca 0.08 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1shu h LEU 124 Cb 0.66 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1shu h LEU 124 CO 0.04 0.78 -0.11 0.50 0.09 0.00 0.00 178.44 179.75 1shu h LYS 125 N 1.18 0.42 -0.08 1.13 3.64 -1.05 -0.62 116.57 121.19 1shu h LYS 125 Ca 0.31 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.44 1shu h LYS 125 Cb -0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1shu h LYS 125 CO -0.06 0.53 -0.57 -0.07 -2.27 0.00 0.00 179.45 177.01 1shu h LEU 126 N 0.39 0.28 -0.11 5.20 3.38 -1.14 -0.05 115.31 123.26 1shu h LEU 126 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1shu h LEU 126 Cb 0.43 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1shu h LEU 126 CO 0.02 0.79 0.02 0.00 0.09 0.00 0.00 178.44 179.36 1shu h ALA 127 N 1.21 0.15 -0.73 1.53 0.00 -1.08 -2.89 119.26 117.46 1shu h ALA 127 Ca -0.00 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1shu h ALA 127 Cb 1.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1shu h ALA 127 CO 0.09 -0.20 0.48 -0.91 0.00 0.00 0.00 179.25 178.72 1shu h ASN 128 N -0.04 0.77 -0.46 0.00 2.35 -0.69 -0.99 115.58 116.52 1shu h ASN 128 Ca 0.03 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1shu h ASN 128 Cb 0.29 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1shu h ASN 128 CO 0.00 0.54 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.96 1shu h GLU 129 N 0.90 0.83 -0.38 0.81 5.08 -1.01 -1.14 114.58 119.67 1shu h GLU 129 Ca 0.29 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1shu h GLU 129 Cb 0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1shu h GLU 129 CO -0.08 0.90 -0.19 1.96 -1.00 0.00 0.00 179.01 180.60 1shu h GLN 130 N 0.67 0.72 -0.20 2.33 4.20 -1.22 -2.09 115.11 119.52 1shu h GLN 130 Ca 0.13 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1shu h GLN 130 Cb 0.55 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1shu h GLN 130 CO 0.03 0.86 -0.01 0.82 -0.67 0.00 0.00 178.83 179.86 1shu h ILE 131 N 0.64 1.26 -0.94 2.54 2.04 -1.04 -1.32 117.51 120.69 1shu h ILE 131 Ca 0.10 -0.91 0.08 0.00 1.00 0.00 0.00 64.86 65.12 1shu h ILE 131 Cb 0.67 1.46 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 1shu h ILE 131 CO 0.05 0.28 0.61 -0.61 0.00 0.00 0.00 178.15 178.48 1shu h GLN 132 N 0.12 1.01 0.00 2.37 4.15 -1.16 -0.50 115.11 121.11 1shu h GLN 132 Ca 0.06 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1shu h GLN 132 Cb 0.42 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1shu h GLN 132 CO 0.01 0.67 -0.21 -0.22 -1.93 0.00 0.00 178.83 177.15 1shu h LYS 133 N 1.04 0.00 0.00 1.69 3.64 -1.12 -3.07 116.57 118.75 1shu h LYS 133 Ca 0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1shu h LYS 133 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1shu h LYS 133 CO -0.17 0.21 -0.37 0.00 -2.27 0.00 0.00 179.45 176.85 1shu n ALA 134 N -2.17 3.12 0.00 5.00 0.00 -0.52 -4.90 120.51 121.04 1shu n ALA 134 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1shu n ALA 134 Cb 0.56 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1shu n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shu n GLY 135 N 1.48 0.31 7.00 0.00 0.00 -1.03 -4.78 105.19 108.16 1shu n GLY 135 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1shu n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shu n GLY 136 N 0.00 3.70 0.09 -0.02 0.00 -0.25 -2.34 105.19 106.36 1shu n GLY 136 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1shu n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1shu n LEU 137 N 0.00 0.40 -0.02 0.99 4.77 -1.16 -2.38 117.00 119.60 1shu n LEU 137 Ca 0.00 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.74 1shu n LEU 137 Cb 0.00 -0.59 0.61 0.00 -2.33 0.00 0.00 43.42 41.11 1shu n LEU 137 CO 0.00 -0.54 0.90 0.29 -1.33 0.00 0.00 177.39 176.72 1shu n LYS 138 N -1.96 0.19 -2.78 3.23 4.76 -0.99 -4.90 118.16 115.71 1shu n LYS 138 Ca 0.02 -0.03 -0.23 0.00 -2.87 0.00 0.00 58.31 55.20 1shu n LYS 138 Cb 0.16 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.87 1shu n LYS 138 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1shu s THR 139 N -2.83 3.40 -0.74 -0.18 -4.23 -1.00 -5.01 115.64 105.06 1shu s THR 139 Ca 0.19 -0.51 -0.03 0.00 -1.18 0.00 0.00 61.69 60.16 1shu s THR 139 Cb 0.19 -3.28 0.19 0.00 1.34 0.00 0.00 72.50 70.94 1shu s THR 139 CO 0.53 -0.21 0.59 -0.55 -0.54 0.00 0.00 174.62 174.44 1shu s SER 140 N -4.31 5.59 -0.07 3.99 0.15 -1.26 -4.97 113.70 112.81 1shu s SER 140 Ca 0.53 -3.20 0.04 0.00 0.70 0.00 0.00 55.95 54.02 1shu s SER 140 Cb -0.10 -1.89 -0.02 0.00 -1.71 0.00 0.00 66.02 62.30 1shu s SER 140 CO 0.39 -0.30 -0.20 -0.44 1.20 0.00 0.00 173.24 173.89 1shu s SER 141 N 0.40 3.51 -0.08 5.45 0.01 -1.26 -1.20 113.70 120.53 1shu s SER 141 Ca 0.21 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.10 1shu s SER 141 Cb -0.15 -1.02 0.01 0.00 0.21 0.00 0.00 66.02 65.07 1shu s SER 141 CO -0.07 0.25 -0.14 -0.63 0.41 0.00 0.00 173.24 173.06 1shu s ILE 142 N -0.18 1.32 -0.14 1.44 1.01 -0.05 -1.70 121.20 122.91 1shu s ILE 142 Ca -0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1shu s ILE 142 Cb -0.14 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 1shu s ILE 142 CO 0.03 0.40 -0.04 -0.63 0.00 0.00 0.00 174.94 174.70 1shu s ILE 143 N 0.70 3.90 -0.25 2.92 1.01 0.32 -0.40 121.20 129.40 1shu s ILE 143 Ca -0.13 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1shu s ILE 143 Cb -0.16 -2.69 0.06 0.00 0.01 0.00 0.00 42.46 39.68 1shu s ILE 143 CO 0.03 0.52 -0.10 -0.63 0.00 0.00 0.00 174.94 174.76 1shu s ILE 144 N 0.09 2.00 -0.24 2.92 1.01 0.05 -0.42 121.20 126.61 1shu s ILE 144 Ca -0.01 -1.52 -0.15 0.00 0.00 0.00 0.00 60.65 58.98 1shu s ILE 144 Cb -0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1shu s ILE 144 CO 0.03 -0.04 0.37 0.00 0.00 0.00 0.00 174.94 175.31 1shu s ALA 145 N 1.18 3.57 -0.30 9.38 0.00 -0.13 -0.92 121.76 134.54 1shu s ALA 145 Ca -0.08 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 1shu s ALA 145 Cb -0.20 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 1shu s ALA 145 CO -0.05 -0.50 0.14 -0.51 0.00 0.00 0.00 175.76 174.83 1shu s LEU 146 N 1.74 4.03 0.04 0.00 2.01 -0.45 -0.54 118.68 125.51 1shu s LEU 146 Ca 0.16 -0.53 -0.27 0.00 0.01 0.00 0.00 54.13 53.50 1shu s LEU 146 Cb -0.15 -1.98 0.09 0.00 0.01 0.00 0.00 46.19 44.16 1shu s LEU 146 CO 0.09 -0.18 0.83 0.28 1.01 0.00 0.00 176.35 178.37 1shu s THR 147 N 1.60 0.00 -1.61 5.49 -1.32 -0.90 -1.54 115.64 117.36 1shu s THR 147 Ca 0.04 -0.05 0.29 0.00 -1.21 0.00 0.00 61.69 60.76 1shu s THR 147 Cb -0.17 -1.07 0.46 0.00 -1.51 0.00 0.00 72.50 70.21 1shu s THR 147 CO 0.06 0.00 1.88 -0.90 -2.21 0.00 0.00 174.62 173.44 1shu n ASP 148 N -0.29 0.41 -1.22 8.08 5.68 -1.26 -1.29 116.55 126.66 1shu n ASP 148 Ca -0.10 -0.51 -0.16 0.00 -0.50 0.00 0.00 54.79 53.51 1shu n ASP 148 Cb 0.62 -0.10 -0.07 0.00 -1.14 0.00 0.00 41.12 40.44 1shu n ASP 148 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1shu n GLY 149 N 1.28 1.57 3.44 6.12 0.00 -1.26 -1.22 105.19 115.11 1shu n GLY 149 Ca 0.14 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1shu n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shu s LYS 150 N -3.32 3.51 0.13 1.61 1.02 -1.26 -4.55 119.74 116.89 1shu s LYS 150 Ca 0.00 -1.69 0.05 0.00 0.02 0.00 0.00 55.97 54.35 1shu s LYS 150 Cb 0.00 -4.76 -0.04 0.00 -0.52 0.00 0.00 37.83 32.51 1shu s LYS 150 CO 0.00 -1.72 0.05 -0.51 -0.92 0.00 0.00 175.35 172.25 1shu s LEU 151 N 2.62 3.58 0.10 3.17 1.43 -1.26 -4.92 118.68 123.40 1shu s LEU 151 Ca 0.29 -0.19 0.10 0.00 -1.03 0.00 0.00 54.13 53.30 1shu s LEU 151 Cb -0.08 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1shu s LEU 151 CO -0.06 0.12 -0.27 -0.62 0.23 0.00 0.00 176.35 175.75 1shu s ASP 152 N -2.71 3.26 1.46 2.29 2.15 -1.26 -4.91 116.67 116.96 1shu s ASP 152 Ca 0.28 -0.68 0.00 0.00 0.43 0.00 0.00 52.55 52.58 1shu s ASP 152 Cb -0.11 -0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.26 1shu s ASP 152 CO 0.20 0.21 0.00 0.61 -0.17 0.00 0.00 175.17 176.03 1shu n GLY 153 N 1.27 3.63 0.32 2.66 0.00 -1.26 -1.35 105.19 110.46 1shu n GLY 153 Ca -0.18 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1shu n GLY 153 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1shu n LEU 154 N 0.00 1.15 -0.33 0.99 4.77 -1.26 -4.33 117.00 117.99 1shu n LEU 154 Ca 0.00 -0.33 0.02 0.00 -0.03 0.00 0.00 56.01 55.67 1shu n LEU 154 Cb 0.00 -0.08 0.16 0.00 -2.33 0.00 0.00 43.42 41.17 1shu n LEU 154 CO 0.00 0.20 1.21 0.58 -1.33 0.00 0.00 177.39 178.05 1shu h VAL 155 N 1.59 1.04 -0.79 4.08 2.07 -1.61 -1.48 116.25 121.15 1shu h VAL 155 Ca 0.00 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.29 1shu h VAL 155 Cb 0.48 -0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.10 1shu h VAL 155 CO 0.00 0.19 0.39 -0.65 0.02 0.00 0.00 177.57 177.52 1shu h PRO 156 N 1.01 0.59 -0.35 1.57 0.11 -1.77 0.14 132.00 133.31 1shu h PRO 156 Ca 0.40 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.50 1shu h PRO 156 Cb 0.21 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 1shu h PRO 156 CO -0.19 0.39 0.17 1.03 -0.21 0.00 0.00 178.00 179.19 1shu h SER 157 N 0.61 0.25 -0.59 -2.05 0.87 -1.59 -1.50 113.55 109.55 1shu h SER 157 Ca 0.41 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.89 1shu h SER 157 Cb 0.52 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1shu h SER 157 CO -0.33 0.18 -0.02 1.88 -0.53 0.00 0.00 176.83 178.02 1shu h TYR 158 N 0.35 1.15 -0.40 2.24 0.05 -0.86 -2.26 116.97 117.25 1shu h TYR 158 Ca 0.15 -0.21 -0.10 0.00 0.05 0.00 0.00 58.73 58.62 1shu h TYR 158 Cb 0.06 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 1shu h TYR 158 CO -0.10 1.02 -0.13 0.00 -1.05 0.00 0.00 178.16 177.90 1shu h ALA 159 N 0.97 0.55 -0.50 3.88 0.00 -0.47 -1.29 119.26 122.40 1shu h ALA 159 Ca 0.16 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1shu h ALA 159 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1shu h ALA 159 CO 0.03 0.45 -0.16 0.93 0.00 0.00 0.00 179.25 180.50 1shu h GLU 160 N 0.60 0.98 -0.62 0.00 5.08 -1.30 -0.50 114.58 118.82 1shu h GLU 160 Ca 0.10 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1shu h GLU 160 Cb 0.67 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1shu h GLU 160 CO 0.05 1.07 0.22 -0.22 -1.00 0.00 0.00 179.01 179.13 1shu h LYS 161 N 0.84 0.95 -0.14 2.33 3.64 -1.28 -1.99 116.57 120.92 1shu h LYS 161 Ca 0.12 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 1shu h LYS 161 Cb 0.73 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1shu h LYS 161 CO 0.06 0.82 -0.58 1.49 -2.27 0.00 0.00 179.45 178.97 1shu h GLU 162 N 0.88 0.46 -0.10 1.90 4.57 -0.92 -1.93 114.58 119.44 1shu h GLU 162 Ca 0.20 -0.31 -0.11 0.00 -1.18 0.00 0.00 59.36 57.97 1shu h GLU 162 Cb 0.25 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1shu h GLU 162 CO -0.01 0.91 -0.41 0.00 -1.18 0.00 0.00 179.01 178.32 1shu h ALA 163 N 1.02 1.12 -0.63 2.92 0.00 -1.00 -1.32 119.26 121.37 1shu h ALA 163 Ca -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1shu h ALA 163 Cb 1.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1shu h ALA 163 CO 0.10 0.59 0.03 -0.22 0.00 0.00 0.00 179.25 179.75 1shu h LYS 164 N 0.19 1.08 -0.59 0.00 3.64 -1.13 -2.00 116.57 117.77 1shu h LYS 164 Ca 0.02 -0.33 0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1shu h LYS 164 Cb 0.81 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1shu h LYS 164 CO 0.06 1.04 0.37 0.82 -2.27 0.00 0.00 179.45 179.47 1shu h ILE 165 N 0.99 1.10 -0.46 2.00 2.04 -0.81 -1.03 117.51 121.34 1shu h ILE 165 Ca 0.18 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.87 1shu h ILE 165 Cb 0.53 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1shu h ILE 165 CO 0.03 0.14 0.01 0.28 0.00 0.00 0.00 178.15 178.60 1shu h SER 166 N 0.74 -0.17 -0.39 1.72 0.02 -0.80 -0.83 113.55 113.84 1shu h SER 166 Ca 0.23 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 1shu h SER 166 Cb -0.02 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1shu h SER 166 CO -0.08 -0.05 0.05 0.03 -1.14 0.00 0.00 176.83 175.63 1shu h ARG 167 N 0.12 0.74 0.00 3.45 3.08 -1.02 -1.75 114.38 119.01 1shu h ARG 167 Ca 0.23 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1shu h ARG 167 Cb 0.33 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1shu h ARG 167 CO -0.37 0.72 -0.11 0.66 -1.07 0.00 0.00 179.97 179.80 1shu h SER 168 N 0.71 0.00 0.04 7.04 4.64 0.16 -0.39 113.55 125.75 1shu h SER 168 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1shu h SER 168 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1shu h SER 168 CO 0.01 0.11 -0.01 0.18 -0.87 0.00 0.00 176.83 176.25 1shu n LEU 169 N -3.85 0.65 0.00 5.97 4.77 -0.71 -4.85 117.00 118.99 1shu n LEU 169 Ca -0.02 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1shu n LEU 169 Cb 0.21 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1shu n LEU 169 CO 0.31 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1shu n GLY 170 N 1.11 0.75 3.86 -0.72 0.00 -0.16 -3.00 105.19 107.04 1shu n GLY 170 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1shu n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shu s ALA 171 N -2.39 3.19 -0.12 4.61 0.00 -0.71 -4.62 121.76 121.71 1shu s ALA 171 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 1shu s ALA 171 Cb 0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 1shu s ALA 171 CO 0.00 -0.28 -0.07 0.45 0.00 0.00 0.00 175.76 175.86 1shu s SER 172 N -3.42 4.52 -0.20 0.00 0.15 -0.69 -4.09 113.70 109.97 1shu s SER 172 Ca 0.55 -0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.99 1shu s SER 172 Cb -0.10 -1.53 -0.03 0.00 -1.71 0.00 0.00 66.02 62.65 1shu s SER 172 CO 0.37 0.23 0.02 -0.69 1.20 0.00 0.00 173.24 174.37 1shu s VAL 173 N -0.01 4.17 0.12 4.45 1.01 -1.26 -0.52 120.40 128.36 1shu s VAL 173 Ca -0.01 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1shu s VAL 173 Cb -0.14 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1shu s VAL 173 CO 0.03 0.42 -0.11 -0.31 0.00 0.00 0.00 175.10 175.14 1shu s TYR 174 N 0.93 2.70 -0.04 5.22 1.51 0.44 -1.20 117.35 126.90 1shu s TYR 174 Ca 0.02 -0.18 0.04 0.00 -1.01 0.00 0.00 57.07 55.93 1shu s TYR 174 Cb -0.14 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 1shu s TYR 174 CO 0.02 0.44 -0.15 0.00 -1.11 0.00 0.00 175.55 174.75 1shu s VAL 176 N 0.18 2.34 0.00 0.00 1.01 0.29 -1.62 120.40 122.61 1shu s VAL 176 Ca -0.06 -1.20 -0.19 0.00 0.00 0.00 0.00 61.98 60.53 1shu s VAL 176 Cb -0.12 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 1shu s VAL 176 CO 0.02 0.25 0.54 -0.83 0.00 0.00 0.00 175.10 175.08 1shu s GLY 177 N 1.24 2.58 -0.05 4.51 0.00 0.48 -2.12 107.32 113.96 1shu s GLY 177 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.70 1shu s GLY 177 CO -0.08 0.58 -0.11 0.14 0.00 0.00 0.00 173.10 173.63 1shu s VAL 178 N -0.47 3.30 0.00 1.40 1.01 -0.42 -0.98 120.40 124.25 1shu s VAL 178 Ca 0.29 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1shu s VAL 178 Cb -0.18 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1shu s VAL 178 CO 0.16 0.58 0.00 0.18 0.00 0.00 0.00 175.10 176.02 1shu n LEU 179 N 2.23 0.00 -3.82 3.92 4.77 -1.26 -3.32 117.00 119.51 1shu n LEU 179 Ca -0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.38 1shu n LEU 179 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1shu n LEU 179 CO 0.26 0.00 2.23 -0.90 -1.33 0.00 0.00 177.39 177.65 1shu n ASP 180 N -1.64 4.63 -4.78 -1.43 5.75 -1.26 -4.97 116.55 112.85 1shu n ASP 180 Ca 0.00 -3.01 -0.32 0.00 -0.01 0.00 0.00 54.79 51.45 1shu n ASP 180 Cb 0.00 -1.55 0.06 0.00 -1.03 0.00 0.00 41.12 38.60 1shu n ASP 180 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1shu s PHE 181 N 1.48 2.71 -0.87 2.11 -0.12 -1.21 -4.94 117.98 117.14 1shu s PHE 181 Ca 0.42 1.53 -0.23 0.00 -0.05 0.00 0.00 56.93 58.61 1shu s PHE 181 Cb 0.11 -3.08 0.07 0.00 -0.63 0.00 0.00 43.02 39.48 1shu s PHE 181 CO -0.03 -1.60 1.25 -1.21 -0.05 0.00 0.00 175.22 173.58 1shu s GLU 182 N -4.42 3.40 0.12 1.99 0.41 -0.36 -4.91 118.70 114.94 1shu s GLU 182 Ca 0.64 -0.98 -0.22 0.00 -0.41 0.00 0.00 54.97 54.00 1shu s GLU 182 Cb -0.18 -4.77 -0.05 0.00 -1.78 0.00 0.00 34.13 27.35 1shu s GLU 182 CO 0.46 -2.03 1.69 0.37 -0.49 0.00 0.00 175.26 175.26 1shu h GLN 183 N 9.62 -0.10 -0.69 1.61 5.75 -1.92 -1.64 115.11 127.73 1shu h GLN 183 Ca -0.02 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1shu h GLN 183 Cb 1.03 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.58 1shu h GLN 183 CO 1.28 -0.07 0.21 0.00 -2.65 0.00 0.00 178.83 177.60 1shu h ALA 184 N 0.97 0.90 -0.93 3.38 0.00 -1.99 -0.88 119.26 120.72 1shu h ALA 184 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1shu h ALA 184 Cb 0.21 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1shu h ALA 184 CO -0.17 0.58 0.57 0.37 0.00 0.00 0.00 179.25 180.61 1shu h GLN 185 N 1.01 1.25 -0.22 0.00 5.75 -1.83 -1.65 115.11 119.42 1shu h GLN 185 Ca 0.22 -0.10 -0.12 0.00 -0.15 0.00 0.00 58.65 58.50 1shu h GLN 185 Cb 0.31 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1shu h GLN 185 CO -0.01 0.86 -0.37 -0.07 -2.65 0.00 0.00 178.83 176.60 1shu h LEU 186 N 1.27 0.51 -1.23 -2.39 3.38 -0.77 -2.63 115.31 113.45 1shu h LEU 186 Ca 0.33 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1shu h LEU 186 Cb -0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1shu h LEU 186 CO -0.07 0.84 0.02 -0.33 0.09 0.00 0.00 178.44 178.99 1shu h GLU 187 N 0.41 0.54 -0.10 1.13 5.08 -0.62 -0.86 114.58 120.16 1shu h GLU 187 Ca 0.04 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 1shu h GLU 187 Cb 0.84 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1shu h GLU 187 CO 0.07 0.56 -0.66 0.00 -1.00 0.00 0.00 179.01 177.98 1shu h ARG 188 N 0.52 0.38 -0.01 2.33 3.08 -1.08 -3.31 114.38 116.30 1shu h ARG 188 Ca 0.11 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 1shu h ARG 188 Cb 0.31 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.42 1shu h ARG 188 CO 0.01 0.91 -0.29 0.82 -1.07 0.00 0.00 179.97 180.34 1shu h ILE 189 N 0.27 1.52 -3.75 2.04 2.04 -1.24 -3.46 117.51 114.94 1shu h ILE 189 Ca -0.02 -1.94 -0.46 0.00 1.00 0.00 0.00 64.86 63.44 1shu h ILE 189 Cb 1.20 2.71 0.18 0.00 -0.74 0.00 0.00 36.82 40.18 1shu h ILE 189 CO 0.11 0.54 0.15 0.00 0.00 0.00 0.00 178.15 178.94 1shu s ALA 190 N -3.18 0.65 0.43 1.87 0.00 -0.35 -4.85 121.76 116.33 1shu s ALA 190 Ca -0.15 -0.10 0.13 0.00 0.00 0.00 0.00 51.96 51.83 1shu s ALA 190 Cb 0.01 -3.22 0.93 0.00 0.00 0.00 0.00 23.12 20.84 1shu s ALA 190 CO 0.75 -3.06 1.97 -0.44 0.00 0.00 0.00 175.76 174.98 1shu h ASP 191 N -2.06 0.09 -5.35 0.00 3.32 -1.41 -3.46 116.42 107.54 1shu h ASP 191 Ca -0.55 -0.02 0.15 0.00 0.02 0.00 0.00 57.03 56.63 1shu h ASP 191 Cb 1.31 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.80 1shu h ASP 191 CO 0.53 0.25 0.53 -0.94 -1.72 0.00 0.00 179.24 177.88 1shu s SER 192 N -6.95 -0.04 0.57 6.45 1.04 -1.26 -5.01 113.70 108.50 1shu s SER 192 Ca -0.05 -0.67 0.38 0.00 0.48 0.00 0.00 55.95 56.10 1shu s SER 192 Cb 0.16 0.54 1.94 0.00 0.10 0.00 0.00 66.02 68.76 1shu s SER 192 CO 0.71 -1.05 2.15 0.07 0.98 0.00 0.00 173.24 176.10 1shu h LYS 193 N 2.00 0.00 -0.05 4.02 2.10 -1.89 -2.14 116.57 120.61 1shu h LYS 193 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1shu h LYS 193 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1shu h LYS 193 CO 0.34 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.18 1shu n GLU 194 N -2.92 1.27 -0.32 0.07 1.02 -1.26 -2.80 120.64 115.69 1shu n GLU 194 Ca -0.02 -0.40 0.08 0.00 -0.02 0.00 0.00 57.16 56.81 1shu n GLU 194 Cb 0.13 -1.38 0.21 0.00 -0.02 0.00 0.00 31.44 30.38 1shu n GLU 194 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1shu n GLN 195 N -0.42 2.14 -4.66 3.49 3.00 -0.81 -4.97 117.38 115.16 1shu n GLN 195 Ca 0.17 -2.77 -0.33 0.00 -0.01 0.00 0.00 57.00 54.05 1shu n GLN 195 Cb 0.17 -1.70 -0.13 0.00 0.00 0.00 0.00 30.24 28.59 1shu n GLN 195 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1shu s VAL 196 N -2.89 3.38 0.01 5.09 1.01 -1.12 -1.07 120.40 124.81 1shu s VAL 196 Ca 0.38 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1shu s VAL 196 Cb 0.32 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1shu s VAL 196 CO 0.05 0.53 0.01 -0.36 0.00 0.00 0.00 175.10 175.33 1shu s PHE 197 N 0.12 0.16 0.34 5.22 0.40 -0.64 -5.00 117.98 118.58 1shu s PHE 197 Ca -0.04 -0.32 -0.27 0.00 -0.60 0.00 0.00 56.93 55.69 1shu s PHE 197 Cb -0.14 -0.12 -0.09 0.00 0.51 0.00 0.00 43.02 43.17 1shu s PHE 197 CO 0.04 -0.16 1.09 -1.25 0.70 0.00 0.00 175.22 175.64 1shu s PRO 198 N -1.09 4.40 0.43 0.24 0.04 -1.26 -0.38 135.00 137.37 1shu s PRO 198 Ca -0.12 1.70 0.23 0.00 0.04 0.00 0.00 61.00 62.85 1shu s PRO 198 Cb -0.07 -2.89 0.87 0.00 0.04 0.00 0.00 34.50 32.44 1shu s PRO 198 CO -0.00 0.02 1.81 -0.24 0.04 0.00 0.00 177.00 178.63 1shu h VAL 199 N 2.68 0.64 -2.96 -0.36 3.04 -1.36 -3.34 116.25 114.59 1shu h VAL 199 Ca -0.47 -1.20 -0.62 0.00 -1.01 0.00 0.00 66.70 63.39 1shu h VAL 199 Cb 1.22 1.79 -0.07 0.00 -2.01 0.00 0.00 31.29 32.22 1shu h VAL 199 CO 0.65 0.25 -0.32 -0.54 -1.01 0.00 0.00 177.57 176.60 1shu s LYS 200 N -3.66 3.84 0.00 4.17 1.02 -1.26 -4.87 119.74 118.98 1shu s LYS 200 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.15 1shu s LYS 200 Cb 0.10 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1shu s LYS 200 CO 0.65 0.61 0.00 0.41 -0.92 0.00 0.00 175.35 176.10 1shu n GLY 201 N 2.25 1.73 2.47 -3.33 0.00 -1.26 -4.87 105.19 102.17 1shu n GLY 201 Ca -0.15 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.36 1shu n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shu n GLY 202 N 2.80 1.71 2.56 -0.02 0.00 -1.26 -2.28 105.19 108.70 1shu n GLY 202 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1shu n GLY 202 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1shu n PHE 203 N -2.35 -1.49 -0.04 1.61 3.01 -1.26 -4.87 117.46 112.06 1shu n PHE 203 Ca -0.19 0.07 -0.12 0.00 1.01 0.00 0.00 57.45 58.21 1shu n PHE 203 Cb 0.63 -2.75 -0.06 0.00 -0.01 0.00 0.00 39.48 37.29 1shu n PHE 203 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1shu h GLN 204 N -0.14 0.24 -0.23 -1.08 4.20 -1.76 -1.35 115.11 114.99 1shu h GLN 204 Ca -0.30 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.27 1shu h GLN 204 Cb 1.22 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1shu h GLN 204 CO 0.36 0.46 -0.09 0.00 -0.67 0.00 0.00 178.83 178.89 1shu h ALA 205 N 0.76 0.33 0.12 3.87 0.00 -1.83 0.57 119.26 123.08 1shu h ALA 205 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1shu h ALA 205 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1shu h ALA 205 CO 0.01 0.16 -0.06 -0.07 0.00 0.00 0.00 179.25 179.29 1shu h LEU 206 N 0.20 -0.14 -0.51 0.00 3.38 -1.90 -1.47 115.31 114.86 1shu h LEU 206 Ca 0.05 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1shu h LEU 206 Cb 0.58 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1shu h LEU 206 CO 0.03 0.14 0.32 0.11 0.09 0.00 0.00 178.44 179.13 1shu h LYS 207 N -0.42 0.63 -0.49 1.13 1.57 -1.29 -0.42 116.57 117.27 1shu h LYS 207 Ca -0.02 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1shu h LYS 207 Cb 0.34 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1shu h LYS 207 CO 0.03 0.42 -0.04 0.78 -0.57 0.00 0.00 179.45 180.07 1shu h GLY 208 N 0.65 0.97 0.97 3.86 0.00 -0.78 0.67 103.07 109.41 1shu h GLY 208 Ca 0.20 -0.74 -0.18 0.00 0.00 0.00 0.00 47.33 46.61 1shu h GLY 208 CO -0.07 0.68 -0.64 -2.22 0.00 0.00 0.00 176.54 174.30 1shu h ILE 209 N 0.76 1.34 -0.44 2.60 2.04 -1.17 -1.44 117.51 121.20 1shu h ILE 209 Ca 0.14 -1.94 0.01 0.00 1.00 0.00 0.00 64.86 64.07 1shu h ILE 209 Cb 0.57 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 1shu h ILE 209 CO 0.03 0.59 0.28 0.40 0.00 0.00 0.00 178.15 179.46 1shu h ILE 210 N 0.22 1.10 -0.18 -0.67 2.04 -1.00 -1.18 117.51 117.85 1shu h ILE 210 Ca -0.05 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 1shu h ILE 210 Cb 1.29 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1shu h ILE 210 CO 0.13 0.11 -0.31 0.78 0.00 0.00 0.00 178.15 178.86 1shu h ASN 211 N 0.58 0.35 -0.69 1.72 2.35 -0.86 -0.84 115.58 118.19 1shu h ASN 211 Ca 0.16 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1shu h ASN 211 Cb -0.05 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1shu h ASN 211 CO -0.04 0.65 0.33 -1.28 -1.65 0.00 0.00 177.43 175.43 1shu h SER 212 N 0.30 0.90 -0.27 5.81 0.87 -0.87 -1.36 113.55 118.94 1shu h SER 212 Ca 0.04 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.41 1shu h SER 212 Cb 0.69 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1shu h SER 212 CO 0.05 0.78 -0.06 0.40 -0.53 0.00 0.00 176.83 177.48 1shu h ILE 213 N 0.96 1.28 -0.48 2.23 2.04 -0.71 -3.04 117.51 119.79 1shu h ILE 213 Ca 0.24 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1shu h ILE 213 Cb 0.12 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1shu h ILE 213 CO -0.03 0.33 0.30 -0.07 0.00 0.00 0.00 178.15 178.69 1shu h LEU 214 N 0.27 0.55 -1.98 1.44 3.38 -1.08 -1.65 115.31 116.24 1shu h LEU 214 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1shu h LEU 214 Cb 0.52 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1shu h LEU 214 CO 0.02 0.41 -0.09 0.00 0.09 0.00 0.00 178.44 178.88 1shu h ALA 215 N 1.69 1.61 -0.00 1.53 0.00 -1.13 -0.98 119.26 121.97 1shu h ALA 215 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1shu h ALA 215 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1shu h ALA 215 CO -0.04 0.11 -0.25 1.04 0.00 0.00 0.00 179.25 180.12 1shu n GLN 216 N -4.07 0.57 -3.62 0.00 6.02 -0.64 -4.97 117.38 110.66 1shu n GLN 216 Ca -0.03 -0.28 -0.26 0.00 -0.01 0.00 0.00 57.00 56.42 1shu n GLN 216 Cb 0.17 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 1shu n GLN 216 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1shu s SER 217 N -2.63 6.36 0.00 1.08 0.01 -0.37 -1.17 113.70 116.98 1shu s SER 217 Ca 0.22 0.40 0.27 0.00 1.31 0.00 0.00 55.95 58.15 1shu s SER 217 Cb 0.19 -2.01 1.64 0.00 0.21 0.00 0.00 66.02 66.05 1shu s SER 217 CO 0.55 -0.12 1.98 0.00 0.41 0.00 0.00 173.24 176.05