#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyi s ASP 2 N 0.00 6.46 -0.12 0.00 1.01 -1.26 -5.06 116.67 117.69 1jyi s ASP 2 Ca 0.00 0.50 -0.23 0.00 0.71 0.00 0.00 52.55 53.53 1jyi s ASP 2 Cb 0.00 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 1jyi s ASP 2 CO 0.00 0.14 0.71 -0.89 0.21 0.00 0.00 175.17 175.34 1jyi s THR 3 N -1.52 5.01 -0.04 -1.27 2.01 -1.26 -5.00 115.64 113.56 1jyi s THR 3 Ca 0.36 1.41 0.04 0.00 0.31 0.00 0.00 61.69 63.80 1jyi s THR 3 Cb -0.13 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.35 1jyi s THR 3 CO 0.23 0.17 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.55 1jyi s ILE 4 N 1.36 1.25 -0.17 1.82 -1.09 -1.26 -3.74 121.20 119.37 1jyi s ILE 4 Ca 0.35 -0.60 -0.02 0.00 -2.23 0.00 0.00 60.65 58.15 1jyi s ILE 4 Cb -0.17 -1.09 0.05 0.00 -1.58 0.00 0.00 42.46 39.67 1jyi s ILE 4 CO 0.15 0.37 0.00 -0.69 -1.23 0.00 0.00 174.94 173.54 1jyi s VAL 5 N 0.19 0.71 0.07 2.92 1.01 -0.91 0.11 120.40 124.50 1jyi s VAL 5 Ca -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1jyi s VAL 5 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1jyi s VAL 5 CO 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 175.10 175.05 1jyi s ALA 6 N 1.79 0.70 -0.27 5.51 0.00 -0.13 -0.79 121.76 128.57 1jyi s ALA 6 Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.76 1jyi s ALA 6 Cb -0.16 0.21 0.07 0.00 0.00 0.00 0.00 23.12 23.24 1jyi s ALA 6 CO -0.07 -0.30 -0.07 0.08 0.00 0.00 0.00 175.76 175.40 1jyi s VAL 7 N -3.64 2.05 -0.04 0.00 1.01 -0.53 0.66 120.40 119.92 1jyi s VAL 7 Ca 0.08 -1.68 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 1jyi s VAL 7 Cb 0.06 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1jyi s VAL 7 CO -0.07 -0.15 0.31 -1.83 0.00 0.00 0.00 175.10 173.36 1jyi s GLU 8 N 1.13 3.73 -0.78 2.72 -1.05 -0.31 -2.00 118.70 122.13 1jyi s GLU 8 Ca -0.05 0.19 -0.07 0.00 -0.15 0.00 0.00 54.97 54.89 1jyi s GLU 8 Cb -0.20 -3.19 0.20 0.00 -0.44 0.00 0.00 34.13 30.50 1jyi s GLU 8 CO -0.06 0.71 0.67 -0.51 0.95 0.00 0.00 175.26 177.02 1jyi s LEU 9 N -1.14 5.94 -0.10 1.83 1.02 0.98 -2.19 118.68 125.02 1jyi s LEU 9 Ca 0.21 -2.99 -0.29 0.00 0.02 0.00 0.00 54.13 51.09 1jyi s LEU 9 Cb -0.15 -2.02 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 1jyi s LEU 9 CO 0.11 -0.41 1.00 -0.62 0.02 0.00 0.00 176.35 176.44 1jyi s ASP 10 N 1.16 7.24 -0.01 2.29 -1.08 -0.45 -2.21 116.67 123.60 1jyi s ASP 10 Ca 0.20 1.52 0.15 0.00 -0.52 0.00 0.00 52.55 53.91 1jyi s ASP 10 Cb -0.14 -2.55 -0.20 0.00 -1.46 0.00 0.00 42.92 38.57 1jyi s ASP 10 CO -0.07 -0.43 0.51 0.35 0.52 0.00 0.00 175.17 176.04 1jyi n THR 11 N 4.51 0.00 -4.74 1.71 -2.24 -1.05 -2.23 114.28 110.25 1jyi n THR 11 Ca 0.08 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 1jyi n THR 11 Cb 0.49 0.60 -0.17 0.00 -2.10 0.00 0.00 70.33 69.15 1jyi n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jyi s TYR 12 N -2.74 2.08 -0.45 4.78 5.04 -1.25 -4.60 117.35 120.21 1jyi s TYR 12 Ca 0.00 -0.91 -0.23 0.00 -2.44 0.00 0.00 57.07 53.50 1jyi s TYR 12 Cb 0.11 -1.46 0.03 0.00 0.35 0.00 0.00 41.96 40.99 1jyi s TYR 12 CO 0.64 -0.42 0.77 -1.25 -1.34 0.00 0.00 175.55 173.95 1jyi s PRO 13 N 0.70 3.38 -0.90 4.97 0.04 -1.26 -4.99 135.00 136.94 1jyi s PRO 13 Ca -0.12 -0.15 -0.10 0.00 0.04 0.00 0.00 61.00 60.67 1jyi s PRO 13 Cb -0.16 -3.95 0.23 0.00 0.04 0.00 0.00 34.50 30.66 1jyi s PRO 13 CO 0.03 -1.12 0.83 -0.80 0.04 0.00 0.00 177.00 175.98 1jyi s ASN 14 N 2.15 6.64 0.00 6.66 -0.87 -1.26 -4.89 114.94 123.37 1jyi s ASN 14 Ca 0.29 -3.12 0.00 0.00 -1.57 0.00 0.00 52.86 48.46 1jyi s ASN 14 Cb -0.12 -2.13 0.00 0.00 -0.02 0.00 0.00 41.25 38.98 1jyi s ASN 14 CO 0.22 -0.41 0.58 0.35 -2.57 0.00 0.00 177.10 175.27 1jyi n THR 15 N 3.32 0.34 0.30 1.60 -2.24 -1.26 -0.83 114.28 115.50 1jyi n THR 15 Ca 0.17 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 62.15 1jyi n THR 15 Cb 0.42 -1.09 0.10 0.00 -2.10 0.00 0.00 70.33 67.67 1jyi n THR 15 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1jyi h ASP 16 N 0.00 0.00 -1.91 3.42 2.03 -1.90 -3.38 116.42 114.68 1jyi h ASP 16 Ca 0.00 -0.07 -0.55 0.00 -0.73 0.00 0.00 57.03 55.68 1jyi h ASP 16 Cb 0.00 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 38.09 1jyi h ASP 16 CO 0.00 0.03 -0.81 2.30 -1.03 0.00 0.00 179.24 179.74 1jyi n ILE 17 N -2.55 2.18 -1.96 4.15 -5.35 -0.01 -4.95 119.36 110.87 1jyi n ILE 17 Ca 0.02 -5.02 -0.21 0.00 -0.27 0.00 0.00 62.75 57.27 1jyi n ILE 17 Cb 0.51 -0.99 -0.05 0.00 -1.74 0.00 0.00 39.64 37.36 1jyi n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jyi n GLY 18 N -0.21 0.85 3.87 3.28 0.00 -1.26 -4.73 105.19 106.98 1jyi n GLY 18 Ca 0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 1jyi n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jyi s ASP 19 N -2.43 6.66 0.64 1.61 1.11 -1.20 -4.80 116.67 118.26 1jyi s ASP 19 Ca 0.00 0.86 -0.12 0.00 0.18 0.00 0.00 52.55 53.47 1jyi s ASP 19 Cb 0.00 -2.20 -0.02 0.00 1.07 0.00 0.00 42.92 41.77 1jyi s ASP 19 CO 0.00 0.08 1.05 -2.84 1.18 0.00 0.00 175.17 174.64 1jyi s PRO 20 N -2.23 3.22 -1.24 8.23 0.02 -1.26 -4.33 135.00 137.40 1jyi s PRO 20 Ca 0.39 0.97 -0.08 0.00 0.02 0.00 0.00 61.00 62.30 1jyi s PRO 20 Cb -0.13 -2.03 0.19 0.00 0.02 0.00 0.00 34.50 32.55 1jyi s PRO 20 CO 0.20 -0.88 1.82 -1.13 -0.33 0.00 0.00 177.00 176.68 1jyi n SER 21 N -2.69 5.41 0.00 2.53 3.41 -1.26 -4.60 113.62 116.41 1jyi n SER 21 Ca 0.07 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 1jyi n SER 21 Cb 0.53 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1jyi n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyi n TYR 22 N 3.31 0.00 -1.72 7.33 0.18 -1.26 -5.04 117.16 119.96 1jyi n TYR 22 Ca 0.38 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.73 1jyi n TYR 22 Cb 0.35 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.29 1jyi n TYR 22 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 1jyi n PRO 23 N -0.50 2.56 -3.95 -3.48 -0.02 -1.26 -4.69 135.00 123.67 1jyi n PRO 23 Ca 0.00 0.92 -0.09 0.00 -2.02 0.00 0.00 63.50 62.31 1jyi n PRO 23 Cb 0.00 -2.69 -0.08 0.00 -0.02 0.00 0.00 33.50 30.71 1jyi n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1jyi s HIS 24 N 0.32 0.36 -0.07 6.00 -3.43 -0.94 -0.18 115.29 117.34 1jyi s HIS 24 Ca 0.68 -0.76 0.04 0.00 -0.80 0.00 0.00 55.06 54.22 1jyi s HIS 24 Cb -0.54 -0.12 0.00 0.00 -1.43 0.00 0.00 32.58 30.49 1jyi s HIS 24 CO 0.44 -0.61 -0.20 0.96 -2.00 0.00 0.00 174.74 173.33 1jyi s ILE 25 N -3.93 1.70 0.21 -5.38 -4.36 -0.26 -1.34 121.20 107.83 1jyi s ILE 25 Ca 0.13 -0.83 -0.02 0.00 -0.26 0.00 0.00 60.65 59.67 1jyi s ILE 25 Cb 0.05 -1.47 -0.04 0.00 1.25 0.00 0.00 42.46 42.24 1jyi s ILE 25 CO -0.04 0.48 0.16 -0.83 0.24 0.00 0.00 174.94 174.95 1jyi s GLY 26 N 0.29 1.37 -0.24 6.27 0.00 -0.93 -1.07 107.32 113.01 1jyi s GLY 26 Ca -0.13 -1.63 -0.07 0.00 0.00 0.00 0.00 44.72 42.90 1jyi s GLY 26 CO 0.06 -1.33 0.06 -0.42 0.00 0.00 0.00 173.10 171.46 1jyi s ILE 27 N -4.14 4.22 -0.15 0.90 1.01 -0.75 -1.17 121.20 121.12 1jyi s ILE 27 Ca 0.38 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 1jyi s ILE 27 Cb 0.06 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1jyi s ILE 27 CO 0.12 0.35 0.04 -1.81 0.00 0.00 0.00 174.94 173.64 1jyi s ASP 28 N 1.55 5.49 -0.45 3.58 1.01 0.21 -1.17 116.67 126.89 1jyi s ASP 28 Ca 0.06 0.10 0.03 0.00 0.71 0.00 0.00 52.55 53.45 1jyi s ASP 28 Cb -0.15 -1.85 0.12 0.00 1.01 0.00 0.00 42.92 42.06 1jyi s ASP 28 CO 0.03 0.24 0.20 -0.63 0.21 0.00 0.00 175.17 175.22 1jyi s ILE 29 N -0.01 2.11 -1.56 0.77 -1.09 -1.26 -0.96 121.20 119.21 1jyi s ILE 29 Ca 0.05 -2.82 -0.05 0.00 -2.23 0.00 0.00 60.65 55.61 1jyi s ILE 29 Cb -0.12 -2.49 0.01 0.00 -1.58 0.00 0.00 42.46 38.27 1jyi s ILE 29 CO 0.01 -0.78 0.60 0.29 -1.23 0.00 0.00 174.94 173.84 1jyi n LYS 30 N 3.55 -4.86 -3.65 2.79 5.02 0.31 -4.96 118.16 116.35 1jyi n LYS 30 Ca 0.05 0.91 -0.04 0.00 -2.02 0.00 0.00 58.31 57.22 1jyi n LYS 30 Cb 0.35 -5.76 -0.07 0.00 -0.02 0.00 0.00 35.03 29.53 1jyi n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1jyi s SER 31 N -2.70 -0.11 0.00 4.39 0.15 -1.26 -4.96 113.70 109.21 1jyi s SER 31 Ca 0.30 0.20 0.20 0.00 0.70 0.00 0.00 55.95 57.35 1jyi s SER 31 Cb -0.13 0.20 1.05 0.00 -1.71 0.00 0.00 66.02 65.43 1jyi s SER 31 CO 0.37 -0.04 1.60 0.55 1.20 0.00 0.00 173.24 176.92 1jyi n VAL 32 N 1.62 0.28 -3.07 4.45 3.14 -1.26 -4.30 118.33 119.18 1jyi n VAL 32 Ca -0.10 0.07 -0.45 0.00 -2.96 0.00 0.00 64.34 60.90 1jyi n VAL 32 Cb 0.57 -0.75 -0.02 0.00 -1.06 0.00 0.00 33.84 32.57 1jyi n VAL 32 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1jyi s ARG 33 N -2.39 3.56 0.19 1.45 0.52 -1.26 -5.01 118.95 116.01 1jyi s ARG 33 Ca 0.22 -1.96 -0.29 0.00 -0.52 0.00 0.00 55.73 53.18 1jyi s ARG 33 Cb 0.13 -4.70 -0.17 0.00 0.52 0.00 0.00 34.95 30.73 1jyi s ARG 33 CO 0.27 -1.59 0.64 0.43 0.02 0.00 0.00 175.30 175.07 1jyi n SER 34 N 5.67 -0.78 0.07 0.23 7.64 -1.26 -4.81 113.62 120.37 1jyi n SER 34 Ca 0.18 1.14 -0.08 0.00 1.01 0.00 0.00 58.87 61.12 1jyi n SER 34 Cb 0.48 -0.99 -0.12 0.00 -1.01 0.00 0.00 64.21 62.57 1jyi n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jyi h LYS 35 N 1.37 0.04 -3.07 1.43 1.79 -1.49 -3.46 116.57 113.18 1jyi h LYS 35 Ca -0.32 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 57.93 1jyi h LYS 35 Cb 1.43 0.02 -0.25 0.00 -1.58 0.00 0.00 32.23 31.85 1jyi h LYS 35 CO 0.59 1.03 -0.39 0.21 -1.08 0.00 0.00 179.45 179.81 1jyi s LYS 36 N -2.70 0.34 0.32 3.15 2.47 -1.25 -5.02 119.74 117.04 1jyi s LYS 36 Ca 0.00 0.35 0.03 0.00 -1.56 0.00 0.00 55.97 54.79 1jyi s LYS 36 Cb 0.10 0.16 -0.04 0.00 -1.46 0.00 0.00 37.83 36.59 1jyi s LYS 36 CO 0.83 -0.04 0.12 0.95 0.16 0.00 0.00 175.35 177.36 1jyi s THR 37 N 0.07 0.60 -0.25 3.43 -4.23 -1.26 -1.80 115.64 112.20 1jyi s THR 37 Ca -0.01 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 1jyi s THR 37 Cb -0.02 -2.57 0.07 0.00 1.34 0.00 0.00 72.50 71.32 1jyi s THR 37 CO 0.01 0.00 0.62 0.00 -0.54 0.00 0.00 174.62 174.71 1jyi s ALA 38 N -3.51 -1.64 0.23 3.99 0.00 -0.23 -4.94 121.76 115.66 1jyi s ALA 38 Ca 0.34 2.08 -0.32 0.00 0.00 0.00 0.00 51.96 54.06 1jyi s ALA 38 Cb 0.06 -1.22 -0.13 0.00 0.00 0.00 0.00 23.12 21.83 1jyi s ALA 38 CO 0.16 -0.34 1.55 1.17 0.00 0.00 0.00 175.76 178.30 1jyi n LYS 39 N 3.82 2.36 -3.99 0.00 4.81 -1.26 -1.10 118.16 122.81 1jyi n LYS 39 Ca -0.19 0.85 -0.30 0.00 -0.87 0.00 0.00 58.31 57.80 1jyi n LYS 39 Cb 0.57 -2.60 -0.16 0.00 0.02 0.00 0.00 35.03 32.86 1jyi n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1jyi s TRP 40 N 0.42 2.23 -1.31 5.64 -0.00 0.75 -4.77 118.94 121.89 1jyi s TRP 40 Ca 0.71 -1.40 -0.17 0.00 -0.00 0.00 0.00 56.10 55.24 1jyi s TRP 40 Cb -0.59 -1.57 0.03 0.00 -0.00 0.00 0.00 33.47 31.33 1jyi s TRP 40 CO 0.43 -0.70 1.97 0.09 -0.00 0.00 0.00 176.95 178.74 1jyi n ASN 41 N 4.74 4.16 -4.67 5.86 3.02 -1.26 -4.40 115.26 122.70 1jyi n ASN 41 Ca -0.15 -2.85 -0.42 0.00 -0.03 0.00 0.00 54.58 51.13 1jyi n ASN 41 Cb 0.48 -1.66 -0.03 0.00 -0.61 0.00 0.00 39.78 37.96 1jyi n ASN 41 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1jyi s MET 42 N 4.06 4.20 -0.45 3.52 -2.45 -1.26 -4.97 119.30 121.95 1jyi s MET 42 Ca 0.53 2.20 -0.17 0.00 -1.25 0.00 0.00 55.69 57.00 1jyi s MET 42 Cb 0.09 -3.81 0.04 0.00 1.25 0.00 0.00 34.83 32.40 1jyi s MET 42 CO 0.02 -0.77 0.45 -0.65 1.05 0.00 0.00 175.02 175.11 1jyi s GLN 43 N 3.37 3.06 0.02 4.11 -0.21 -1.26 -5.04 119.66 123.70 1jyi s GLN 43 Ca 0.72 -0.96 -0.30 0.00 0.02 0.00 0.00 55.36 54.84 1jyi s GLN 43 Cb -0.35 -4.03 -0.08 0.00 1.00 0.00 0.00 33.01 29.55 1jyi s GLN 43 CO 0.30 -0.95 1.75 1.21 -2.12 0.00 0.00 175.29 175.48 1jyi s ASN 44 N 2.15 6.57 0.00 5.90 3.84 -1.26 -2.85 114.94 129.29 1jyi s ASN 44 Ca 0.10 2.48 0.00 0.00 0.21 0.00 0.00 52.86 55.64 1jyi s ASN 44 Cb -0.19 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 37.96 1jyi s ASN 44 CO 0.11 -0.95 0.00 0.61 -2.79 0.00 0.00 177.10 174.08 1jyi n GLY 45 N 4.21 0.76 3.74 1.21 0.00 0.07 -4.97 105.19 110.21 1jyi n GLY 45 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1jyi n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyi s LYS 46 N -0.63 2.90 -0.08 1.61 -0.14 -1.13 -4.92 119.74 117.35 1jyi s LYS 46 Ca 0.00 -0.59 -0.30 0.00 -1.36 0.00 0.00 55.97 53.72 1jyi s LYS 46 Cb 0.00 -2.75 -0.03 0.00 -1.68 0.00 0.00 37.83 33.37 1jyi s LYS 46 CO 0.00 0.62 1.24 0.08 -0.76 0.00 0.00 175.35 176.53 1jyi s VAL 47 N -1.20 4.21 0.47 3.17 1.01 -1.26 -4.33 120.40 122.47 1jyi s VAL 47 Ca 0.23 1.52 0.06 0.00 0.00 0.00 0.00 61.98 63.79 1jyi s VAL 47 Cb -0.12 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1jyi s VAL 47 CO 0.14 -0.04 0.28 -0.83 0.00 0.00 0.00 175.10 174.65 1jyi s GLY 48 N 1.67 2.39 0.03 4.51 0.00 0.10 -4.52 107.32 111.49 1jyi s GLY 48 Ca 0.56 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.73 1jyi s GLY 48 CO 0.20 -1.92 -0.09 -1.59 0.00 0.00 0.00 173.10 169.71 1jyi s THR 49 N -2.67 0.67 -0.07 0.90 2.01 -0.21 -0.84 115.64 115.42 1jyi s THR 49 Ca 0.36 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1jyi s THR 49 Cb 0.00 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 71.89 1jyi s THR 49 CO 0.21 -0.11 -0.06 0.00 -0.69 0.00 0.00 174.62 173.97 1jyi s ALA 50 N -0.82 0.99 -0.18 7.40 0.00 -0.10 -1.15 121.76 127.91 1jyi s ALA 50 Ca -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 1jyi s ALA 50 Cb -0.07 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 1jyi s ALA 50 CO 0.00 -0.20 -0.07 -1.01 0.00 0.00 0.00 175.76 174.48 1jyi s HIS 51 N 1.31 2.92 -0.06 0.00 3.76 -0.40 -2.12 115.29 120.71 1jyi s HIS 51 Ca -0.04 -0.75 0.05 0.00 -0.15 0.00 0.00 55.06 54.17 1jyi s HIS 51 Cb -0.14 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 1jyi s HIS 51 CO -0.03 -0.36 -0.23 0.42 -0.85 0.00 0.00 174.74 173.70 1jyi s ILE 52 N 0.91 1.88 0.07 0.60 1.09 0.54 -1.00 121.20 125.29 1jyi s ILE 52 Ca -0.01 -0.96 0.00 0.00 -1.10 0.00 0.00 60.65 58.58 1jyi s ILE 52 Cb -0.15 -1.60 -0.04 0.00 -1.06 0.00 0.00 42.46 39.62 1jyi s ILE 52 CO 0.00 0.53 -0.05 0.27 -0.10 0.00 0.00 174.94 175.59 1jyi s ILE 53 N -0.05 0.43 -0.23 2.92 -4.36 -0.22 -0.15 121.20 119.54 1jyi s ILE 53 Ca -0.05 -1.72 -0.27 0.00 -0.26 0.00 0.00 60.65 58.34 1jyi s ILE 53 Cb -0.14 -1.41 0.13 0.00 1.25 0.00 0.00 42.46 42.30 1jyi s ILE 53 CO 0.04 -0.86 1.07 -0.47 0.24 0.00 0.00 174.94 174.96 1jyi s TYR 54 N -3.38 -0.38 -0.05 1.37 5.04 -1.02 -1.57 117.35 117.36 1jyi s TYR 54 Ca 0.06 0.80 -0.12 0.00 -2.44 0.00 0.00 57.07 55.37 1jyi s TYR 54 Cb 0.04 0.42 0.02 0.00 0.35 0.00 0.00 41.96 42.79 1jyi s TYR 54 CO -0.06 -0.25 0.28 0.54 -1.34 0.00 0.00 175.55 174.71 1jyi s ASN 55 N -0.42 -0.20 0.38 4.32 2.20 -1.26 -2.28 114.94 117.69 1jyi s ASN 55 Ca 0.02 0.24 0.28 0.00 -0.94 0.00 0.00 52.86 52.45 1jyi s ASN 55 Cb -0.03 0.41 1.05 0.00 -2.00 0.00 0.00 41.25 40.68 1jyi s ASN 55 CO -0.04 -0.30 1.81 0.77 -2.94 0.00 0.00 177.10 176.41 1jyi h SER 56 N 4.64 0.00 -0.35 3.54 4.64 -1.14 0.32 113.55 125.20 1jyi h SER 56 Ca -0.28 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.90 1jyi h SER 56 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1jyi h SER 56 CO 0.37 0.00 -0.31 0.58 -0.87 0.00 0.00 176.83 176.59 1jyi h VAL 57 N 0.00 1.28 0.00 0.95 2.07 -1.89 -3.27 116.25 115.40 1jyi h VAL 57 Ca 0.00 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1jyi h VAL 57 Cb 0.52 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1jyi h VAL 57 CO 0.00 0.49 -1.83 0.47 0.02 0.00 0.00 177.57 176.72 1jyi n ASP 58 N -4.17 0.15 -3.88 0.57 8.00 -1.17 -4.98 116.55 111.07 1jyi n ASP 58 Ca -0.03 -0.07 -0.29 0.00 0.71 0.00 0.00 54.79 55.11 1jyi n ASP 58 Cb 0.50 1.80 0.03 0.00 -0.02 0.00 0.00 41.12 43.42 1jyi n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jyi n LYS 59 N -2.21 -5.53 -4.41 -1.24 5.02 0.11 -4.83 118.16 105.07 1jyi n LYS 59 Ca -0.03 0.61 -0.29 0.00 -2.02 0.00 0.00 58.31 56.58 1jyi n LYS 59 Cb 0.54 -5.46 -0.17 0.00 -0.02 0.00 0.00 35.03 29.93 1jyi n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jyi s ARG 60 N -6.54 2.30 -0.30 1.97 3.52 -1.24 -0.14 118.95 118.52 1jyi s ARG 60 Ca 0.58 -0.59 -0.14 0.00 -0.13 0.00 0.00 55.73 55.45 1jyi s ARG 60 Cb -0.29 -1.97 -0.03 0.00 -1.56 0.00 0.00 34.95 31.10 1jyi s ARG 60 CO 0.83 -0.09 0.32 -1.17 -0.81 0.00 0.00 175.30 174.38 1jyi s LEU 61 N 1.05 4.17 0.15 -0.88 2.96 -0.16 -4.04 118.68 121.94 1jyi s LEU 61 Ca -0.05 0.04 0.09 0.00 -0.22 0.00 0.00 54.13 53.99 1jyi s LEU 61 Cb -0.15 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1jyi s LEU 61 CO -0.03 -0.20 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.15 1jyi s SER 62 N 1.70 2.83 0.04 3.68 0.01 -0.61 -1.71 113.70 119.64 1jyi s SER 62 Ca 0.12 -0.81 -0.08 0.00 1.31 0.00 0.00 55.95 56.49 1jyi s SER 62 Cb -0.16 -0.18 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 1jyi s SER 62 CO 0.11 0.03 0.16 0.00 0.41 0.00 0.00 173.24 173.95 1jyi s ALA 63 N -1.68 -0.25 -0.16 1.44 0.00 -0.71 -1.06 121.76 119.34 1jyi s ALA 63 Ca 0.14 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1jyi s ALA 63 Cb -0.08 0.27 0.08 0.00 0.00 0.00 0.00 23.12 23.40 1jyi s ALA 63 CO 0.07 -0.35 0.33 0.14 0.00 0.00 0.00 175.76 175.94 1jyi s VAL 64 N -2.61 -0.51 0.05 0.00 -7.23 -0.17 -2.69 120.40 107.24 1jyi s VAL 64 Ca -0.05 0.23 0.01 0.00 -1.81 0.00 0.00 61.98 60.37 1jyi s VAL 64 Cb -0.01 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 1jyi s VAL 64 CO -0.04 0.10 0.13 -0.69 -0.31 0.00 0.00 175.10 174.29 1jyi s VAL 65 N 2.50 4.93 0.00 1.32 1.01 -1.11 -1.27 120.40 127.78 1jyi s VAL 65 Ca -0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 1jyi s VAL 65 Cb -0.12 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 32.96 1jyi s VAL 65 CO -0.10 0.18 0.63 -0.94 0.00 0.00 0.00 175.10 174.86 1jyi s SER 66 N -2.31 -0.59 0.08 3.32 1.04 -0.30 -1.91 113.70 113.03 1jyi s SER 66 Ca 0.30 0.48 0.10 0.00 0.48 0.00 0.00 55.95 57.32 1jyi s SER 66 Cb -0.12 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1jyi s SER 66 CO 0.23 -0.68 -0.26 -0.31 0.98 0.00 0.00 173.24 173.20 1jyi s TYR 67 N -1.83 2.35 0.15 5.02 1.51 -1.26 -1.04 117.35 122.24 1jyi s TYR 67 Ca -0.08 -0.38 -0.34 0.00 -1.01 0.00 0.00 57.07 55.26 1jyi s TYR 67 Cb -0.01 -1.34 -0.16 0.00 -0.11 0.00 0.00 41.96 40.35 1jyi s TYR 67 CO 0.04 0.24 1.28 -2.30 -1.11 0.00 0.00 175.55 173.69 1jyi n PRO 68 N 1.35 1.31 -3.38 -1.71 -0.02 -1.26 -2.91 135.00 128.36 1jyi n PRO 68 Ca -0.17 0.47 -0.21 0.00 -2.02 0.00 0.00 63.50 61.57 1jyi n PRO 68 Cb 0.52 -2.05 0.01 0.00 -0.02 0.00 0.00 33.50 31.97 1jyi n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jyi n ASN 69 N 2.30 -6.24 -3.64 2.55 5.03 -1.26 -5.00 115.26 109.00 1jyi n ASN 69 Ca 0.16 -0.27 -0.02 0.00 0.87 0.00 0.00 54.58 55.32 1jyi n ASN 69 Cb 0.24 -3.13 -0.02 0.00 -1.02 0.00 0.00 39.78 35.84 1jyi n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jyi s ALA 70 N -2.49 -2.20 1.00 5.41 0.00 -1.15 -5.16 121.76 117.18 1jyi s ALA 70 Ca 0.16 1.91 -0.12 0.00 0.00 0.00 0.00 51.96 53.91 1jyi s ALA 70 Cb -0.02 -0.51 0.19 0.00 0.00 0.00 0.00 23.12 22.78 1jyi s ALA 70 CO 0.84 -0.52 1.08 -0.51 0.00 0.00 0.00 175.76 176.65 1jyi s ASP 71 N -1.92 2.46 -0.11 0.00 1.11 -1.26 -4.63 116.67 112.31 1jyi s ASP 71 Ca 0.12 1.58 0.03 0.00 0.18 0.00 0.00 52.55 54.46 1jyi s ASP 71 Cb -0.01 -2.25 0.01 0.00 1.07 0.00 0.00 42.92 41.74 1jyi s ASP 71 CO -0.03 -3.29 -0.20 -0.44 1.18 0.00 0.00 175.17 172.39 1jyi s SER 72 N -3.00 2.81 0.42 0.27 0.01 -1.26 -4.36 113.70 108.58 1jyi s SER 72 Ca 0.66 -0.52 -0.24 0.00 1.31 0.00 0.00 55.95 57.16 1jyi s SER 72 Cb -0.21 -1.29 -0.08 0.00 0.21 0.00 0.00 66.02 64.65 1jyi s SER 72 CO 0.60 0.09 1.09 0.00 0.41 0.00 0.00 173.24 175.43 1jyi s ALA 73 N 0.67 3.06 -0.02 1.44 0.00 -0.80 -4.92 121.76 121.18 1jyi s ALA 73 Ca -0.12 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 1jyi s ALA 73 Cb -0.16 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.65 1jyi s ALA 73 CO 0.03 -0.37 0.05 0.99 0.00 0.00 0.00 175.76 176.45 1jyi s THR 74 N -1.60 -0.01 -0.13 0.00 2.01 -1.26 -2.77 115.64 111.88 1jyi s THR 74 Ca 0.59 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.56 1jyi s THR 74 Cb -0.25 -0.09 0.04 0.00 0.01 0.00 0.00 72.50 72.22 1jyi s THR 74 CO 0.31 0.02 0.32 0.54 -0.69 0.00 0.00 174.62 175.12 1jyi s VAL 75 N 0.28 -0.02 0.14 3.82 0.11 -1.10 -4.74 120.40 118.88 1jyi s VAL 75 Ca -0.02 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 1jyi s VAL 75 Cb -0.03 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1jyi s VAL 75 CO -0.01 0.03 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.34 1jyi s SER 76 N 0.93 1.04 -0.28 3.54 0.01 -1.26 -1.73 113.70 115.95 1jyi s SER 76 Ca -0.06 -1.11 -0.21 0.00 1.31 0.00 0.00 55.95 55.87 1jyi s SER 76 Cb -0.07 0.14 0.10 0.00 0.21 0.00 0.00 66.02 66.39 1jyi s SER 76 CO -0.07 -0.56 0.82 -0.47 0.41 0.00 0.00 173.24 173.37 1jyi s TYR 77 N -3.71 -0.77 -0.24 2.43 5.04 -0.70 -4.92 117.35 114.48 1jyi s TYR 77 Ca 0.19 1.71 -0.22 0.00 -2.44 0.00 0.00 57.07 56.31 1jyi s TYR 77 Cb 0.06 0.41 -0.02 0.00 0.35 0.00 0.00 41.96 42.76 1jyi s TYR 77 CO 0.00 -0.38 0.69 -0.51 -1.34 0.00 0.00 175.55 174.01 1jyi s ASP 78 N 0.85 6.66 -0.10 4.32 1.01 -1.26 -0.98 116.67 127.17 1jyi s ASP 78 Ca -0.04 0.82 -0.20 0.00 0.71 0.00 0.00 52.55 53.84 1jyi s ASP 78 Cb -0.05 -2.37 0.05 0.00 1.01 0.00 0.00 42.92 41.56 1jyi s ASP 78 CO -0.09 -0.40 0.49 0.54 0.21 0.00 0.00 175.17 175.92 1jyi s VAL 79 N 2.51 0.02 -0.54 -1.27 0.11 0.80 -4.99 120.40 117.04 1jyi s VAL 79 Ca 0.29 -0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 59.04 1jyi s VAL 79 Cb -0.15 -0.74 0.13 0.00 -1.53 0.00 0.00 36.38 34.08 1jyi s VAL 79 CO 0.08 -0.08 0.50 -0.62 -3.33 0.00 0.00 175.10 171.66 1jyi s ASP 80 N -0.55 6.19 0.49 3.54 -1.08 -1.26 -4.19 116.67 119.81 1jyi s ASP 80 Ca -0.07 -1.80 0.31 0.00 -0.52 0.00 0.00 52.55 50.48 1jyi s ASP 80 Cb -0.03 -2.21 1.70 0.00 -1.46 0.00 0.00 42.92 40.92 1jyi s ASP 80 CO 0.04 -0.86 1.95 -0.07 0.52 0.00 0.00 175.17 176.75 1jyi h LEU 81 N 8.88 0.00 -0.76 -1.34 3.38 -1.98 -1.46 115.31 122.02 1jyi h LEU 81 Ca -0.30 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1jyi h LEU 81 Cb 1.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1jyi h LEU 81 CO 1.04 0.00 0.14 0.44 0.09 0.00 0.00 178.44 180.14 1jyi h ASP 82 N 0.00 1.02 -0.27 -0.43 5.19 -1.91 -0.20 116.42 119.82 1jyi h ASP 82 Ca 0.00 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1jyi h ASP 82 Cb 0.10 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.35 1jyi h ASP 82 CO 0.00 0.99 0.00 0.59 -3.12 0.00 0.00 179.24 177.70 1jyi n ASN 83 N -4.23 1.50 0.00 6.45 3.02 -0.55 -4.30 115.26 117.15 1jyi n ASN 83 Ca 0.05 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1jyi n ASN 83 Cb 0.27 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1jyi n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1jyi n VAL 84 N 0.31 0.00 -4.24 2.41 0.31 -0.90 -5.08 118.33 111.15 1jyi n VAL 84 Ca 0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.20 1jyi n VAL 84 Cb 0.24 -0.59 -0.06 0.00 -0.91 0.00 0.00 33.84 32.51 1jyi n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jyi s LEU 85 N -4.79 3.35 0.64 7.52 1.43 -0.14 -4.96 118.68 121.74 1jyi s LEU 85 Ca 0.00 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 1jyi s LEU 85 Cb 0.00 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1jyi s LEU 85 CO 0.00 -0.02 1.04 -2.16 0.23 0.00 0.00 176.35 175.44 1jyi s PRO 86 N -3.72 3.39 0.51 1.29 0.04 -1.26 -4.73 135.00 130.52 1jyi s PRO 86 Ca 0.32 0.83 0.27 0.00 0.04 0.00 0.00 61.00 62.47 1jyi s PRO 86 Cb -0.07 -2.05 1.36 0.00 0.04 0.00 0.00 34.50 33.78 1jyi s PRO 86 CO 0.21 -0.73 2.02 1.05 0.04 0.00 0.00 177.00 179.59 1jyi h GLU 87 N -0.38 0.00 -5.20 4.56 4.11 -1.94 -3.40 114.58 112.32 1jyi h GLU 87 Ca -0.44 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.34 1jyi h GLU 87 Cb 1.20 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.20 1jyi h GLU 87 CO 0.60 0.14 -0.70 -1.58 0.07 0.00 0.00 179.01 177.54 1jyi s TRP 88 N -4.04 2.97 0.33 2.06 0.52 -1.26 -1.81 118.94 117.70 1jyi s TRP 88 Ca -0.02 -0.54 0.08 0.00 0.02 0.00 0.00 56.10 55.64 1jyi s TRP 88 Cb 0.12 -1.99 -0.03 0.00 -1.15 0.00 0.00 33.47 30.42 1jyi s TRP 88 CO 0.59 -0.22 0.28 1.33 0.02 0.00 0.00 176.95 178.94 1jyi n VAL 89 N 3.94 0.00 -4.25 4.03 0.24 0.11 -4.43 118.33 117.97 1jyi n VAL 89 Ca -0.18 -2.41 -0.22 0.00 -2.04 0.00 0.00 64.34 59.49 1jyi n VAL 89 Cb 0.52 1.19 -0.12 0.00 -1.47 0.00 0.00 33.84 33.96 1jyi n VAL 89 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1jyi s ARG 90 N -3.35 1.04 0.25 7.34 0.52 -0.20 0.19 118.95 124.74 1jyi s ARG 90 Ca 0.39 -1.11 0.11 0.00 -0.52 0.00 0.00 55.73 54.60 1jyi s ARG 90 Cb 0.02 -1.23 -0.05 0.00 0.52 0.00 0.00 34.95 34.21 1jyi s ARG 90 CO 0.28 0.28 -0.17 0.14 0.02 0.00 0.00 175.30 175.85 1jyi s VAL 91 N -1.22 2.67 -0.71 3.52 -7.23 -1.26 -1.98 120.40 114.19 1jyi s VAL 91 Ca 0.04 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1jyi s VAL 91 Cb -0.10 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1jyi s VAL 91 CO 0.04 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 1jyi n GLY 92 N -0.43 -1.30 3.28 2.32 0.00 -0.90 -1.35 105.19 106.82 1jyi n GLY 92 Ca -0.07 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1jyi n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyi s LEU 93 N 0.00 2.06 0.35 0.99 1.43 0.11 -1.25 118.68 122.36 1jyi s LEU 93 Ca 0.00 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1jyi s LEU 93 Cb 0.00 -1.36 -0.07 0.00 0.03 0.00 0.00 46.19 44.79 1jyi s LEU 93 CO 0.00 0.26 -0.07 -0.55 0.23 0.00 0.00 176.35 176.23 1jyi s SER 94 N -0.27 3.58 -0.22 2.29 0.15 -0.21 -0.26 113.70 118.76 1jyi s SER 94 Ca -0.00 -1.23 -0.34 0.00 0.70 0.00 0.00 55.95 55.08 1jyi s SER 94 Cb -0.13 -0.33 0.15 0.00 -1.71 0.00 0.00 66.02 64.01 1jyi s SER 94 CO 0.03 -0.28 1.25 0.00 1.20 0.00 0.00 173.24 175.44 1jyi s ALA 95 N -2.70 -2.09 0.18 5.45 0.00 -0.83 -1.75 121.76 120.02 1jyi s ALA 95 Ca 0.33 1.72 -0.23 0.00 0.00 0.00 0.00 51.96 53.77 1jyi s ALA 95 Cb 0.04 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.66 1jyi s ALA 95 CO 0.16 -0.47 0.74 -1.54 0.00 0.00 0.00 175.76 174.64 1jyi s SER 96 N -1.77 -0.37 0.14 0.00 1.04 -1.10 -2.03 113.70 109.60 1jyi s SER 96 Ca 0.09 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1jyi s SER 96 Cb -0.01 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1jyi s SER 96 CO -0.05 -1.05 -0.00 0.42 0.98 0.00 0.00 173.24 173.54 1jyi s THR 97 N -3.66 0.52 0.00 2.02 -4.23 0.15 -1.26 115.64 109.18 1jyi s THR 97 Ca 0.07 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1jyi s THR 97 Cb -0.03 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1jyi s THR 97 CO -0.03 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 1jyi n GLY 98 N -0.14 4.02 0.22 3.99 0.00 -1.26 -2.26 105.19 109.76 1jyi n GLY 98 Ca -0.08 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1jyi n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jyi h LEU 99 N 0.00 0.67 -9.79 0.99 5.85 -1.96 -0.94 115.31 110.13 1jyi h LEU 99 Ca 0.00 -0.25 -0.63 0.00 0.84 0.00 0.00 57.88 57.85 1jyi h LEU 99 Cb 0.00 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 1jyi h LEU 99 CO 0.00 0.74 -0.55 -0.31 -0.34 0.00 0.00 178.44 177.99 1jyi s TYR 100 N -5.24 3.37 0.38 1.25 2.02 -1.26 -4.90 117.35 112.97 1jyi s TYR 100 Ca -0.13 0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.78 1jyi s TYR 100 Cb 0.10 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.92 1jyi s TYR 100 CO 0.78 0.56 0.07 -1.59 -1.57 0.00 0.00 175.55 173.79 1jyi s LYS 101 N -2.47 1.84 0.00 -0.62 0.00 -1.25 -4.38 119.74 112.87 1jyi s LYS 101 Ca 0.32 -2.08 -0.29 0.00 0.00 0.00 0.00 55.97 53.92 1jyi s LYS 101 Cb -0.13 -0.97 0.10 0.00 0.00 0.00 0.00 37.83 36.83 1jyi s LYS 101 CO 0.25 -0.28 1.06 -1.83 0.00 0.00 0.00 175.35 174.55 1jyi s GLU 102 N -3.82 0.74 -0.20 1.78 -1.05 -1.23 -3.57 118.70 111.34 1jyi s GLU 102 Ca 0.29 -0.35 -0.15 0.00 -0.15 0.00 0.00 54.97 54.60 1jyi s GLU 102 Cb 0.06 0.29 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 1jyi s GLU 102 CO 0.14 -0.33 0.38 0.95 0.95 0.00 0.00 175.26 177.34 1jyi s THR 103 N -2.88 5.21 -1.01 1.83 -4.23 -0.62 -4.74 115.64 109.19 1jyi s THR 103 Ca 0.10 0.66 -0.02 0.00 -1.18 0.00 0.00 61.69 61.25 1jyi s THR 103 Cb 0.00 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.43 1jyi s THR 103 CO -0.04 0.26 1.38 0.59 -0.54 0.00 0.00 174.62 176.27 1jyi n ASN 104 N 4.43 6.05 -4.70 3.99 4.13 -1.26 -3.66 115.26 124.24 1jyi n ASN 104 Ca -0.09 -3.43 -0.39 0.00 1.68 0.00 0.00 54.58 52.35 1jyi n ASN 104 Cb 0.51 -1.18 -0.05 0.00 -1.54 0.00 0.00 39.78 37.52 1jyi n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1jyi s THR 105 N -2.78 5.08 -0.20 3.41 2.01 -1.14 -2.04 115.64 119.98 1jyi s THR 105 Ca 0.32 1.22 -0.06 0.00 0.31 0.00 0.00 61.69 63.49 1jyi s THR 105 Cb 0.07 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 1jyi s THR 105 CO 0.09 0.22 0.03 -0.63 -0.69 0.00 0.00 174.62 173.64 1jyi s ILE 106 N 1.13 4.26 -0.07 1.82 -1.09 0.14 -1.42 121.20 125.97 1jyi s ILE 106 Ca 0.31 -0.21 0.21 0.00 -2.23 0.00 0.00 60.65 58.74 1jyi s ILE 106 Cb -0.16 -2.93 -0.29 0.00 -1.58 0.00 0.00 42.46 37.49 1jyi s ILE 106 CO 0.13 0.43 0.48 0.18 -1.23 0.00 0.00 174.94 174.93 1jyi n LEU 107 N 4.05 0.09 -3.46 2.97 4.32 -0.45 -1.44 117.00 123.07 1jyi n LEU 107 Ca -0.17 0.04 -0.14 0.00 -0.02 0.00 0.00 56.01 55.72 1jyi n LEU 107 Cb 0.52 0.07 -0.04 0.00 -1.62 0.00 0.00 43.42 42.35 1jyi n LEU 107 CO 0.33 0.06 0.43 -0.94 -1.22 0.00 0.00 177.39 176.04 1jyi s SER 108 N -4.76 -0.60 -0.30 -1.43 1.04 -1.23 -4.62 113.70 101.81 1jyi s SER 108 Ca -0.08 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.52 1jyi s SER 108 Cb 0.12 0.57 0.13 0.00 0.10 0.00 0.00 66.02 66.94 1jyi s SER 108 CO 0.89 -0.82 0.69 0.86 0.98 0.00 0.00 173.24 175.84 1jyi s TRP 109 N -2.73 -1.25 0.09 5.02 -0.00 -0.12 -2.61 118.94 117.33 1jyi s TRP 109 Ca -0.03 2.21 0.04 0.00 -0.00 0.00 0.00 56.10 58.32 1jyi s TRP 109 Cb -0.01 0.75 -0.03 0.00 -0.00 0.00 0.00 33.47 34.18 1jyi s TRP 109 CO -0.04 -0.62 -0.12 -1.54 -0.00 0.00 0.00 176.95 174.63 1jyi s SER 110 N 2.69 1.56 -0.10 5.86 1.04 -0.20 0.16 113.70 124.71 1jyi s SER 110 Ca -0.06 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 55.47 1jyi s SER 110 Cb -0.11 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.03 1jyi s SER 110 CO -0.19 -0.19 0.40 0.12 0.98 0.00 0.00 173.24 174.36 1jyi s PHE 111 N -2.01 -0.38 -0.02 5.02 5.36 0.05 -1.38 117.98 124.62 1jyi s PHE 111 Ca 0.03 0.84 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 1jyi s PHE 111 Cb -0.06 0.16 0.02 0.00 -0.34 0.00 0.00 43.02 42.81 1jyi s PHE 111 CO 0.01 -0.31 0.02 0.99 -1.46 0.00 0.00 175.22 174.47 1jyi s THR 112 N -0.41 -0.00 0.02 0.12 2.01 -0.78 -1.83 115.64 114.76 1jyi s THR 112 Ca -0.05 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.15 1jyi s THR 112 Cb -0.03 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.35 1jyi s THR 112 CO 0.03 0.09 -0.13 -0.55 -0.69 0.00 0.00 174.62 173.37 1jyi s SER 113 N 0.91 1.50 -0.07 3.53 0.15 -0.26 -1.58 113.70 117.87 1jyi s SER 113 Ca -0.08 -0.35 -0.06 0.00 0.70 0.00 0.00 55.95 56.15 1jyi s SER 113 Cb -0.11 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 1jyi s SER 113 CO -0.02 0.07 0.18 -0.54 1.20 0.00 0.00 173.24 174.13 1jyi s LYS 114 N -0.78 0.22 -0.07 5.44 1.02 -0.26 -1.38 119.74 123.94 1jyi s LYS 114 Ca 0.02 0.25 0.03 0.00 0.02 0.00 0.00 55.97 56.29 1jyi s LYS 114 Cb -0.06 0.11 0.01 0.00 -0.52 0.00 0.00 37.83 37.36 1jyi s LYS 114 CO 0.00 -0.03 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.76 1jyi s LEU 115 N 0.08 1.70 -0.34 3.17 1.43 -0.64 -2.05 118.68 122.03 1jyi s LEU 115 Ca -0.00 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1jyi s LEU 115 Cb -0.01 -0.90 0.07 0.00 0.03 0.00 0.00 46.19 45.38 1jyi s LEU 115 CO 0.00 0.05 0.08 -0.75 0.23 0.00 0.00 176.35 175.96 1jyi s LYS 116 N 0.61 2.28 0.52 1.70 2.47 -0.21 -1.51 119.74 125.60 1jyi s LYS 116 Ca -0.15 -1.45 -0.17 0.00 -1.56 0.00 0.00 55.97 52.64 1jyi s LYS 116 Cb -0.16 -3.34 -0.07 0.00 -1.46 0.00 0.00 37.83 32.80 1jyi s LYS 116 CO 0.04 -0.78 1.00 0.45 0.16 0.00 0.00 175.35 176.22 1jyi s SER 117 N 1.44 6.48 -1.15 1.43 0.15 -0.72 0.10 113.70 121.43 1jyi s SER 117 Ca -0.00 1.65 -0.23 0.00 0.70 0.00 0.00 55.95 58.06 1jyi s SER 117 Cb -0.21 -2.52 -0.10 0.00 -1.71 0.00 0.00 66.02 61.49 1jyi s SER 117 CO -0.02 -0.68 1.96 0.21 1.20 0.00 0.00 173.24 175.91 1jyi s ASN 118 N -2.88 4.86 -0.19 5.45 3.84 -1.03 -4.38 114.94 120.61 1jyi s ASN 118 Ca 0.60 -1.51 -0.30 0.00 0.21 0.00 0.00 52.86 51.87 1jyi s ASN 118 Cb -0.11 -2.59 0.14 0.00 -0.55 0.00 0.00 41.25 38.14 1jyi s ASN 118 CO 0.30 -3.24 1.09 -0.44 -2.79 0.00 0.00 177.10 172.02 1jyi s SER 119 N 6.86 -0.28 -0.25 -4.21 0.01 -1.26 -5.06 113.70 109.50 1jyi s SER 119 Ca 0.70 0.29 -0.02 0.00 1.31 0.00 0.00 55.95 58.23 1jyi s SER 119 Cb -0.02 0.23 -0.09 0.00 0.21 0.00 0.00 66.02 66.36 1jyi s SER 119 CO 0.13 -0.27 1.04 0.41 0.41 0.00 0.00 173.24 174.96 1jyi n THR 120 N 0.64 0.00 -1.67 1.44 -1.04 -1.26 -1.83 114.28 110.56 1jyi n THR 120 Ca -0.07 -0.37 -0.05 0.00 -2.04 0.00 0.00 64.05 61.51 1jyi n THR 120 Cb 0.58 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.08 1jyi n THR 120 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1jyi n HIS 121 N 3.61 -1.14 -1.58 -1.42 -0.00 -1.26 -4.81 115.22 108.62 1jyi n HIS 121 Ca 0.17 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.97 1jyi n HIS 121 Cb 0.28 -1.68 -0.03 0.00 -0.12 0.00 0.00 29.99 28.44 1jyi n HIS 121 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1jyi s GLU 122 N -3.46 2.36 -0.09 1.57 2.02 -0.76 -4.88 118.70 115.45 1jyi s GLU 122 Ca 0.00 1.55 0.04 0.00 0.02 0.00 0.00 54.97 56.58 1jyi s GLU 122 Cb 0.00 -4.53 0.00 0.00 0.10 0.00 0.00 34.13 29.70 1jyi s GLU 122 CO 0.00 -2.99 -0.21 0.99 0.02 0.00 0.00 175.26 173.07 1jyi s THR 123 N 11.22 1.86 0.04 3.63 2.01 -1.26 -1.75 115.64 131.38 1jyi s THR 123 Ca 0.98 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.96 1jyi s THR 123 Cb -0.21 -1.62 -0.06 0.00 0.01 0.00 0.00 72.50 70.63 1jyi s THR 123 CO 0.28 0.52 0.38 0.20 -0.69 0.00 0.00 174.62 175.31 1jyi s ASN 124 N 0.39 6.68 0.00 3.53 -0.87 -0.57 -4.95 114.94 119.16 1jyi s ASN 124 Ca -0.18 0.83 -0.12 0.00 -1.57 0.00 0.00 52.86 51.83 1jyi s ASN 124 Cb -0.17 -2.19 0.01 0.00 -0.02 0.00 0.00 41.25 38.87 1jyi s ASN 124 CO 0.08 0.24 0.24 0.00 -2.57 0.00 0.00 177.10 175.09 1jyi s ALA 125 N -1.26 -0.57 -0.03 0.60 0.00 -1.26 -1.62 121.76 117.63 1jyi s ALA 125 Ca 0.28 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.32 1jyi s ALA 125 Cb -0.15 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1jyi s ALA 125 CO 0.15 -0.27 -0.03 -1.17 0.00 0.00 0.00 175.76 174.45 1jyi s LEU 126 N -1.50 1.50 -0.13 0.00 2.96 -0.48 -5.00 118.68 116.04 1jyi s LEU 126 Ca -0.12 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1jyi s LEU 126 Cb -0.05 -0.31 0.06 0.00 0.50 0.00 0.00 46.19 46.39 1jyi s LEU 126 CO 0.02 -0.03 0.27 -2.28 -1.32 0.00 0.00 176.35 173.01 1jyi s HIS 127 N 0.61 -0.42 0.02 5.38 5.65 -1.26 -1.10 115.29 124.17 1jyi s HIS 127 Ca -0.07 0.95 0.03 0.00 0.25 0.00 0.00 55.06 56.22 1jyi s HIS 127 Cb -0.10 0.02 -0.01 0.00 -1.18 0.00 0.00 32.58 31.30 1jyi s HIS 127 CO -0.01 -0.32 -0.09 -0.59 -0.65 0.00 0.00 174.74 173.09 1jyi s PHE 128 N 2.00 0.76 -0.02 3.88 -0.12 -0.76 -5.02 117.98 118.69 1jyi s PHE 128 Ca -0.03 -0.27 -0.00 0.00 -0.05 0.00 0.00 56.93 56.58 1jyi s PHE 128 Cb -0.11 -0.47 0.03 0.00 -0.63 0.00 0.00 43.02 41.84 1jyi s PHE 128 CO -0.09 -0.02 0.03 1.41 -0.05 0.00 0.00 175.22 176.50 1jyi s MET 129 N -0.75 -0.04 -0.13 1.99 1.75 -1.26 -0.77 119.30 120.10 1jyi s MET 129 Ca -0.01 0.19 0.02 0.00 -1.25 0.00 0.00 55.69 54.64 1jyi s MET 129 Cb -0.06 -0.25 0.01 0.00 2.84 0.00 0.00 34.83 37.38 1jyi s MET 129 CO 0.00 -0.17 -0.18 -0.06 -0.65 0.00 0.00 175.02 173.96 1jyi s PHE 130 N 1.06 2.33 0.00 4.11 0.08 0.12 -4.94 117.98 120.76 1jyi s PHE 130 Ca -0.09 -1.16 0.00 0.00 0.12 0.00 0.00 56.93 55.80 1jyi s PHE 130 Cb -0.13 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1jyi s PHE 130 CO -0.03 -0.56 0.00 0.09 -0.10 0.00 0.00 175.22 174.62 1jyi n ASN 131 N 4.19 4.00 -4.14 1.36 3.02 -1.26 -0.95 115.26 121.48 1jyi n ASN 131 Ca -0.19 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.09 1jyi n ASN 131 Cb 0.51 0.65 -0.16 0.00 -0.61 0.00 0.00 39.78 40.17 1jyi n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jyi s GLN 132 N -1.67 1.85 -0.06 3.52 -1.52 -1.26 -4.76 119.66 115.75 1jyi s GLN 132 Ca 0.00 -0.63 0.04 0.00 -1.95 0.00 0.00 55.36 52.83 1jyi s GLN 132 Cb 0.00 -1.60 -0.02 0.00 -0.22 0.00 0.00 33.01 31.17 1jyi s GLN 132 CO 0.00 0.24 -0.19 -0.06 -0.25 0.00 0.00 175.29 175.03 1jyi s PHE 133 N 0.05 2.58 0.13 0.91 0.08 -1.06 -5.02 117.98 115.66 1jyi s PHE 133 Ca -0.04 -0.45 0.03 0.00 0.12 0.00 0.00 56.93 56.58 1jyi s PHE 133 Cb -0.12 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 1jyi s PHE 133 CO 0.02 -0.04 0.22 -1.12 -0.10 0.00 0.00 175.22 174.20 1jyi s SER 134 N -0.36 6.09 0.56 1.36 0.01 -1.26 -3.82 113.70 116.28 1jyi s SER 134 Ca 0.03 0.11 0.26 0.00 1.31 0.00 0.00 55.95 57.66 1jyi s SER 134 Cb -0.12 -1.78 1.49 0.00 0.21 0.00 0.00 66.02 65.82 1jyi s SER 134 CO 0.02 0.09 2.02 0.50 0.41 0.00 0.00 173.24 176.28 1jyi h LYS 135 N 2.51 0.00 -2.91 12.44 3.64 -1.82 -3.16 116.57 127.27 1jyi h LYS 135 Ca -0.47 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.29 1jyi h LYS 135 Cb 1.19 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.60 1jyi h LYS 135 CO 0.69 0.00 -0.72 0.34 -2.27 0.00 0.00 179.45 177.49 1jyi s ASP 136 N -5.95 3.65 -1.15 4.20 2.15 -1.26 -4.71 116.67 113.60 1jyi s ASP 136 Ca -0.05 -3.27 -0.15 0.00 0.43 0.00 0.00 52.55 49.51 1jyi s ASP 136 Cb 0.17 -1.18 0.15 0.00 -0.30 0.00 0.00 42.92 41.76 1jyi s ASP 136 CO 0.63 -0.17 1.38 -1.58 -0.17 0.00 0.00 175.17 175.27 1jyi s GLN 137 N -0.51 3.97 0.30 4.34 2.00 -1.20 -4.86 119.66 123.70 1jyi s GLN 137 Ca 0.24 -2.34 0.19 0.00 -2.00 0.00 0.00 55.36 51.46 1jyi s GLN 137 Cb -0.10 -5.06 1.06 0.00 0.80 0.00 0.00 33.01 29.71 1jyi s GLN 137 CO -0.11 -1.80 1.59 1.63 -0.50 0.00 0.00 175.29 176.09 1jyi n LYS 138 N 6.06 0.13 -0.78 1.67 5.02 -1.26 -1.32 118.16 127.67 1jyi n LYS 138 Ca 0.34 0.62 0.08 0.00 -2.02 0.00 0.00 58.31 57.33 1jyi n LYS 138 Cb 0.45 -1.93 0.38 0.00 -0.02 0.00 0.00 35.03 33.90 1jyi n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1jyi n ASP 139 N -2.19 5.27 -4.14 4.39 5.75 -1.26 -4.88 116.55 119.50 1jyi n ASP 139 Ca -0.01 -2.74 -0.21 0.00 -0.01 0.00 0.00 54.79 51.81 1jyi n ASP 139 Cb 0.05 -0.65 -0.14 0.00 -1.03 0.00 0.00 41.12 39.35 1jyi n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1jyi s LEU 140 N -2.37 2.11 -0.44 -2.12 1.43 -0.44 -1.57 118.68 115.30 1jyi s LEU 140 Ca 0.52 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1jyi s LEU 140 Cb 0.37 -0.68 0.10 0.00 0.03 0.00 0.00 46.19 46.01 1jyi s LEU 140 CO 0.18 0.10 0.28 -0.63 0.23 0.00 0.00 176.35 176.51 1jyi s ILE 141 N -0.64 4.05 -0.12 -0.59 1.01 0.75 -4.86 121.20 120.80 1jyi s ILE 141 Ca 0.04 -1.66 -0.21 0.00 0.00 0.00 0.00 60.65 58.81 1jyi s ILE 141 Cb -0.07 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1jyi s ILE 141 CO 0.01 -0.64 0.59 -0.76 0.00 0.00 0.00 174.94 174.14 1jyi s LEU 142 N 1.35 4.25 0.29 2.97 1.43 -1.26 -1.73 118.68 125.98 1jyi s LEU 142 Ca 0.05 0.95 0.10 0.00 -1.03 0.00 0.00 54.13 54.19 1jyi s LEU 142 Cb -0.24 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 1jyi s LEU 142 CO -0.00 -0.11 -0.15 -1.10 0.23 0.00 0.00 176.35 175.22 1jyi s GLN 143 N 1.04 1.66 5.75 1.70 -0.21 -0.91 -4.96 119.66 123.73 1jyi s GLN 143 Ca 0.31 -1.79 0.00 0.00 0.02 0.00 0.00 55.36 53.89 1jyi s GLN 143 Cb -0.16 -1.59 0.00 0.00 1.00 0.00 0.00 33.01 32.26 1jyi s GLN 143 CO 0.13 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.93 1jyi n GLY 144 N -0.63 2.83 1.33 3.09 0.00 -1.26 -2.49 105.19 108.06 1jyi n GLY 144 Ca -0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 1jyi n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jyi n ASP 145 N 0.63 3.47 -4.75 1.61 8.00 0.81 -4.94 116.55 121.37 1jyi n ASP 145 Ca 0.00 -2.58 -0.41 0.00 0.71 0.00 0.00 54.79 52.52 1jyi n ASP 145 Cb 0.00 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 40.44 1jyi n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jyi s ALA 146 N -1.87 3.40 0.06 2.24 0.00 -1.04 -4.22 121.76 120.33 1jyi s ALA 146 Ca 0.29 0.86 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 1jyi s ALA 146 Cb 0.23 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 1jyi s ALA 146 CO 0.08 -0.17 0.11 0.95 0.00 0.00 0.00 175.76 176.73 1jyi s THR 147 N -0.80 0.15 0.35 0.00 -4.23 -0.24 -4.75 115.64 106.13 1jyi s THR 147 Ca 0.46 -1.27 0.05 0.00 -1.18 0.00 0.00 61.69 59.75 1jyi s THR 147 Cb -0.31 -1.22 -0.03 0.00 1.34 0.00 0.00 72.50 72.28 1jyi s THR 147 CO 0.38 -0.70 0.20 0.42 -0.54 0.00 0.00 174.62 174.38 1jyi s THR 148 N -3.41 0.27 0.00 3.99 -4.23 -1.26 -0.39 115.64 110.60 1jyi s THR 148 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1jyi s THR 148 Cb 0.03 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1jyi s THR 148 CO -0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1jyi n GLY 149 N -0.72 3.02 3.56 3.99 0.00 -1.11 -4.33 105.19 109.59 1jyi n GLY 149 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1jyi n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jyi s THR 150 N -1.81 3.69 -0.11 2.61 -4.23 -1.24 -3.01 115.64 111.54 1jyi s THR 150 Ca 0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1jyi s THR 150 Cb 0.00 -4.58 0.00 0.00 1.34 0.00 0.00 72.50 69.26 1jyi s THR 150 CO 0.00 -1.50 0.00 0.47 -0.54 0.00 0.00 174.62 173.05 1jyi n ASP 151 N 11.03 -3.27 -0.70 3.99 9.92 -1.26 -2.60 116.55 133.65 1jyi n ASP 151 Ca 0.31 0.03 -0.06 0.00 -0.53 0.00 0.00 54.79 54.53 1jyi n ASP 151 Cb 0.49 -0.86 -0.01 0.00 -0.64 0.00 0.00 41.12 40.11 1jyi n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jyi n GLY 152 N -2.68 0.18 3.44 0.44 0.00 -1.16 -4.93 105.19 100.48 1jyi n GLY 152 Ca -0.01 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1jyi n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jyi s ASN 153 N -2.73 3.12 -0.33 1.61 0.01 -1.07 -2.55 114.94 112.99 1jyi s ASN 153 Ca 0.00 -1.11 -0.08 0.00 -0.71 0.00 0.00 52.86 50.96 1jyi s ASN 153 Cb 0.00 -0.23 0.02 0.00 0.41 0.00 0.00 41.25 41.45 1jyi s ASN 153 CO 0.00 -0.17 0.13 -0.22 -1.51 0.00 0.00 177.10 175.32 1jyi s LEU 154 N -3.46 4.27 -0.51 0.60 2.96 -0.52 -2.76 118.68 119.26 1jyi s LEU 154 Ca 0.28 -0.94 -0.19 0.00 -0.22 0.00 0.00 54.13 53.07 1jyi s LEU 154 Cb 0.00 -1.92 0.06 0.00 0.50 0.00 0.00 46.19 44.83 1jyi s LEU 154 CO 0.12 -0.29 0.63 -1.61 -1.32 0.00 0.00 176.35 173.88 1jyi s GLU 155 N 1.48 3.12 0.26 1.98 0.41 0.47 -0.68 118.70 125.74 1jyi s GLU 155 Ca 0.01 -0.92 0.03 0.00 -0.41 0.00 0.00 54.97 53.67 1jyi s GLU 155 Cb -0.19 -4.11 0.35 0.00 -1.78 0.00 0.00 34.13 28.40 1jyi s GLU 155 CO 0.04 -1.24 1.66 -0.07 -0.49 0.00 0.00 175.26 175.16 1jyi h LEU 156 N 9.71 0.44 -9.01 1.80 3.38 -1.66 -0.63 115.31 119.33 1jyi h LEU 156 Ca -0.28 -0.18 -0.54 0.00 0.09 0.00 0.00 57.88 56.97 1jyi h LEU 156 Cb 1.09 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 1jyi h LEU 156 CO 0.97 0.78 -0.76 0.42 0.09 0.00 0.00 178.44 179.94 1jyi s THR 157 N -4.25 2.09 0.39 0.22 -4.23 -1.26 -3.31 115.64 105.28 1jyi s THR 157 Ca -0.06 -2.22 -0.24 0.00 -1.18 0.00 0.00 61.69 57.99 1jyi s THR 157 Cb 0.13 -2.11 -0.12 0.00 1.34 0.00 0.00 72.50 71.74 1jyi s THR 157 CO 0.80 -0.43 0.78 0.54 -0.54 0.00 0.00 174.62 175.76 1jyi n ARG 158 N -0.30 0.92 -3.66 3.99 5.12 -1.26 -4.76 116.66 116.71 1jyi n ARG 158 Ca -0.08 0.33 -0.06 0.00 -1.93 0.00 0.00 57.85 56.10 1jyi n ARG 158 Cb 0.59 -1.71 -0.08 0.00 -1.16 0.00 0.00 32.46 30.10 1jyi n ARG 158 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1jyi s VAL 159 N -1.31 -0.54 0.33 1.55 1.01 -1.26 -2.59 120.40 117.58 1jyi s VAL 159 Ca 0.63 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 1jyi s VAL 159 Cb -0.62 -0.81 0.08 0.00 0.00 0.00 0.00 36.38 35.03 1jyi s VAL 159 CO 0.58 0.03 0.29 -1.54 0.00 0.00 0.00 175.10 174.46 1jyi n SER 160 N 5.05 -1.40 -0.04 3.32 3.41 -0.95 -4.90 113.62 118.10 1jyi n SER 160 Ca -0.14 -0.64 -0.14 0.00 -0.26 0.00 0.00 58.87 57.69 1jyi n SER 160 Cb 0.52 -0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 64.11 1jyi n SER 160 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1jyi h SER 161 N -1.54 0.26 0.00 4.04 0.02 -2.02 -2.96 113.55 111.35 1jyi h SER 161 Ca -0.11 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.24 1jyi h SER 161 Cb 0.33 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1jyi h SER 161 CO 0.07 0.82 0.16 -0.46 -1.14 0.00 0.00 176.83 176.27 1jyi n ASN 162 N -4.58 0.28 0.00 3.07 0.23 -1.26 -4.76 115.26 108.24 1jyi n ASN 162 Ca -0.08 0.55 0.00 0.00 -0.53 0.00 0.00 54.58 54.52 1jyi n ASN 162 Cb 0.41 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 1jyi n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jyi n GLY 163 N -1.32 0.77 3.80 4.83 0.00 -1.12 -5.08 105.19 107.08 1jyi n GLY 163 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1jyi n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jyi s SER 164 N -2.42 7.14 0.74 1.61 1.04 -1.26 -4.83 113.70 115.71 1jyi s SER 164 Ca 0.00 1.37 -0.13 0.00 0.48 0.00 0.00 55.95 57.67 1jyi s SER 164 Cb 0.00 -2.40 0.04 0.00 0.10 0.00 0.00 66.02 63.76 1jyi s SER 164 CO 0.00 0.24 1.12 -2.16 0.98 0.00 0.00 173.24 173.42 1jyi s PRO 165 N -1.21 2.30 0.15 4.02 0.04 -1.26 -2.25 135.00 136.79 1jyi s PRO 165 Ca 0.32 1.40 0.07 0.00 0.04 0.00 0.00 61.00 62.82 1jyi s PRO 165 Cb -0.20 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1jyi s PRO 165 CO 0.21 -1.64 -0.01 -0.65 0.04 0.00 0.00 177.00 174.94 1jyi s GLN 166 N -4.40 2.39 0.78 4.56 -1.52 -1.07 -4.87 119.66 115.54 1jyi s GLN 166 Ca 0.66 -1.04 -0.08 0.00 -1.95 0.00 0.00 55.36 52.95 1jyi s GLN 166 Cb -0.21 -2.39 0.11 0.00 -0.22 0.00 0.00 33.01 30.31 1jyi s GLN 166 CO 0.49 0.48 1.10 0.20 -0.25 0.00 0.00 175.29 177.31 1jyi s GLY 167 N -2.71 1.73 -0.73 3.09 0.00 -1.26 -4.54 107.32 102.90 1jyi s GLY 167 Ca 0.26 -1.17 -0.08 0.00 0.00 0.00 0.00 44.72 43.72 1jyi s GLY 167 CO 0.18 -0.63 0.60 1.44 0.00 0.00 0.00 173.10 174.68 1jyi n SER 168 N -3.14 -4.78 -3.90 1.64 7.64 -0.36 -4.84 113.62 105.88 1jyi n SER 168 Ca 0.12 -0.79 -0.11 0.00 1.01 0.00 0.00 58.87 59.09 1jyi n SER 168 Cb 0.60 -1.54 -0.13 0.00 -1.01 0.00 0.00 64.21 62.13 1jyi n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1jyi s SER 169 N -2.63 0.09 0.01 6.43 0.15 -1.00 -4.94 113.70 111.81 1jyi s SER 169 Ca 0.08 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.62 1jyi s SER 169 Cb -0.01 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 1jyi s SER 169 CO 0.87 -0.07 -0.08 -0.69 1.20 0.00 0.00 173.24 174.46 1jyi s VAL 170 N -0.38 0.65 -0.28 4.45 1.01 -1.26 -0.67 120.40 123.92 1jyi s VAL 170 Ca -0.04 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 1jyi s VAL 170 Cb -0.03 -0.59 0.10 0.00 0.00 0.00 0.00 36.38 35.86 1jyi s VAL 170 CO -0.00 0.03 0.88 -0.83 0.00 0.00 0.00 175.10 175.18 1jyi s GLY 171 N -0.60 -0.34 0.28 4.51 0.00 -0.86 -0.14 107.32 110.17 1jyi s GLY 171 Ca 0.00 2.37 0.03 0.00 0.00 0.00 0.00 44.72 47.12 1jyi s GLY 171 CO 0.00 1.80 0.04 0.50 0.00 0.00 0.00 173.10 175.44 1jyi s ARG 172 N 0.30 1.48 -0.22 2.90 0.52 -1.04 -1.97 118.95 120.92 1jyi s ARG 172 Ca 0.02 -1.79 -0.04 0.00 -0.52 0.00 0.00 55.73 53.40 1jyi s ARG 172 Cb -0.05 -0.65 0.12 0.00 0.52 0.00 0.00 34.95 34.89 1jyi s ARG 172 CO -0.03 -0.17 0.35 0.00 0.02 0.00 0.00 175.30 175.47 1jyi s ALA 173 N -3.43 -0.91 0.02 2.13 0.00 0.64 -2.13 121.76 118.07 1jyi s ALA 173 Ca 0.34 0.86 0.06 0.00 0.00 0.00 0.00 51.96 53.21 1jyi s ALA 173 Cb 0.07 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 1jyi s ALA 173 CO 0.13 -1.16 -0.14 -0.51 0.00 0.00 0.00 175.76 174.07 1jyi s LEU 174 N 2.50 2.78 0.39 0.00 1.02 -0.71 0.04 118.68 124.71 1jyi s LEU 174 Ca 0.09 -0.32 -0.26 0.00 0.02 0.00 0.00 54.13 53.67 1jyi s LEU 174 Cb -0.15 -1.61 -0.09 0.00 0.02 0.00 0.00 46.19 44.37 1jyi s LEU 174 CO -0.14 0.28 1.20 0.12 0.02 0.00 0.00 176.35 177.82 1jyi s PHE 175 N -0.92 3.03 0.16 0.29 5.36 -0.46 -0.17 117.98 125.27 1jyi s PHE 175 Ca 0.15 1.52 -0.15 0.00 -0.96 0.00 0.00 56.93 57.49 1jyi s PHE 175 Cb -0.11 -3.46 0.10 0.00 -0.34 0.00 0.00 43.02 39.21 1jyi s PHE 175 CO 0.05 -1.48 1.75 -0.92 -1.46 0.00 0.00 175.22 173.16 1jyi h TYR 176 N 2.72 0.24 -3.42 10.12 3.20 -1.62 -3.44 116.97 124.76 1jyi h TYR 176 Ca -0.49 0.02 -0.54 0.00 3.14 0.00 0.00 58.73 60.86 1jyi h TYR 176 Cb 1.24 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 1jyi h TYR 176 CO 0.55 0.09 0.05 0.00 -1.64 0.00 0.00 178.16 177.21 1jyi s ALA 177 N -6.15 3.50 0.52 1.82 0.00 -1.26 -5.04 121.76 115.14 1jyi s ALA 177 Ca -0.13 0.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.74 1jyi s ALA 177 Cb 0.13 -2.75 -0.06 0.00 0.00 0.00 0.00 23.12 20.44 1jyi s ALA 177 CO 0.72 0.36 1.28 -2.14 0.00 0.00 0.00 175.76 175.98 1jyi s PRO 178 N -1.54 3.34 -0.11 0.00 0.02 -1.26 -4.81 135.00 130.63 1jyi s PRO 178 Ca 0.37 2.04 -0.02 0.00 0.02 0.00 0.00 61.00 63.40 1jyi s PRO 178 Cb -0.19 -2.28 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 1jyi s PRO 178 CO 0.21 -0.97 -0.01 0.08 -0.33 0.00 0.00 177.00 175.98 1jyi s VAL 179 N -1.41 4.17 -1.22 3.83 1.01 0.49 -4.89 120.40 122.39 1jyi s VAL 179 Ca 0.69 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 1jyi s VAL 179 Cb -0.35 -2.78 0.18 0.00 0.00 0.00 0.00 36.38 33.43 1jyi s VAL 179 CO 0.42 0.56 1.50 1.57 0.00 0.00 0.00 175.10 179.15 1jyi n HIS 180 N 2.64 4.54 0.21 5.22 -0.00 -1.26 0.10 115.22 126.67 1jyi n HIS 180 Ca -0.18 -3.28 0.10 0.00 0.46 0.00 0.00 57.72 54.83 1jyi n HIS 180 Cb 0.53 -2.08 0.52 0.00 -0.12 0.00 0.00 29.99 28.84 1jyi n HIS 180 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 1jyi n ILE 181 N 4.12 1.06 -3.59 3.57 0.13 -0.75 -4.81 119.36 119.09 1jyi n ILE 181 Ca 0.36 0.59 -0.05 0.00 -1.10 0.00 0.00 62.75 62.55 1jyi n ILE 181 Cb 0.41 -1.57 -0.03 0.00 -0.84 0.00 0.00 39.64 37.61 1jyi n ILE 181 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 1jyi s TRP 182 N -3.44 -0.16 0.01 9.51 1.48 -1.24 -4.82 118.94 120.27 1jyi s TRP 182 Ca -0.00 0.14 -0.12 0.00 -1.06 0.00 0.00 56.10 55.06 1jyi s TRP 182 Cb 0.07 0.51 0.01 0.00 -1.16 0.00 0.00 33.47 32.90 1jyi s TRP 182 CO 0.23 -0.23 0.26 -2.00 -4.06 0.00 0.00 176.95 171.14 1jyi s GLU 183 N -2.21 0.68 0.05 3.25 2.12 -1.26 -4.68 118.70 116.65 1jyi s GLU 183 Ca 0.08 -0.39 -0.22 0.00 0.36 0.00 0.00 54.97 54.79 1jyi s GLU 183 Cb -0.01 0.29 -0.11 0.00 0.26 0.00 0.00 34.13 34.57 1jyi s GLU 183 CO -0.05 -0.19 1.34 0.77 -0.54 0.00 0.00 175.26 176.59 1jyi h SER 184 N 3.69 -0.87 -0.40 -1.70 0.02 -2.02 -3.07 113.55 109.20 1jyi h SER 184 Ca -0.31 0.07 -0.27 0.00 -0.84 0.00 0.00 61.79 60.44 1jyi h SER 184 Cb 1.19 0.29 -0.10 0.00 0.14 0.00 0.00 62.40 63.91 1jyi h SER 184 CO 0.43 -0.41 0.05 -1.54 -1.14 0.00 0.00 176.83 174.23 1jyi n SER 185 N -4.27 5.84 -4.31 3.07 3.41 -1.26 -4.85 113.62 111.25 1jyi n SER 185 Ca -0.07 -2.78 -0.37 0.00 -0.26 0.00 0.00 58.87 55.39 1jyi n SER 185 Cb 0.28 -1.25 -0.13 0.00 -0.26 0.00 0.00 64.21 62.85 1jyi n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyi s ALA 186 N -0.47 2.99 0.14 7.33 0.00 -1.16 -2.47 121.76 128.11 1jyi s ALA 186 Ca 0.46 -1.47 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 1jyi s ALA 186 Cb 0.27 -2.05 -0.00 0.00 0.00 0.00 0.00 23.12 21.33 1jyi s ALA 186 CO -0.07 -0.92 1.72 0.28 0.00 0.00 0.00 175.76 176.78 1jyi h VAL 187 N 5.94 0.83 -3.36 0.00 2.07 0.40 -3.43 116.25 118.70 1jyi h VAL 187 Ca -0.31 -0.03 -0.25 0.00 0.82 0.00 0.00 66.70 66.93 1jyi h VAL 187 Cb 1.12 0.75 -0.31 0.00 -1.52 0.00 0.00 31.29 31.32 1jyi h VAL 187 CO 0.60 0.01 -0.63 -0.69 0.02 0.00 0.00 177.57 176.88 1jyi s VAL 188 N -6.19 -0.04 0.07 2.57 1.01 -1.14 -4.85 120.40 111.82 1jyi s VAL 188 Ca -0.13 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1jyi s VAL 188 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.27 1jyi s VAL 188 CO 0.69 0.06 -0.20 0.00 0.00 0.00 0.00 175.10 175.66 1jyi s ALA 189 N 0.96 1.71 -0.22 5.51 0.00 -1.26 -1.04 121.76 127.41 1jyi s ALA 189 Ca -0.08 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.48 1jyi s ALA 189 Cb -0.10 -0.28 0.15 0.00 0.00 0.00 0.00 23.12 22.89 1jyi s ALA 189 CO -0.04 0.36 1.15 -1.54 0.00 0.00 0.00 175.76 175.69 1jyi s SER 190 N -1.49 -0.23 0.11 0.00 1.04 -0.87 -0.44 113.70 111.81 1jyi s SER 190 Ca 0.06 0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.68 1jyi s SER 190 Cb -0.09 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1jyi s SER 190 CO 0.03 -0.20 0.20 0.72 0.98 0.00 0.00 173.24 174.97 1jyi s PHE 191 N -0.98 0.25 -0.05 5.02 -0.12 -0.96 -1.10 117.98 120.04 1jyi s PHE 191 Ca 0.03 -0.67 -0.08 0.00 -0.05 0.00 0.00 56.93 56.16 1jyi s PHE 191 Cb -0.01 -0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.31 1jyi s PHE 191 CO -0.03 -0.58 0.20 -1.83 -0.05 0.00 0.00 175.22 172.93 1jyi s GLU 192 N -3.90 0.37 0.02 1.99 -1.05 -0.62 -2.43 118.70 113.09 1jyi s GLU 192 Ca 0.09 0.02 0.03 0.00 -0.15 0.00 0.00 54.97 54.97 1jyi s GLU 192 Cb 0.05 0.17 -0.01 0.00 -0.44 0.00 0.00 34.13 33.89 1jyi s GLU 192 CO -0.08 -0.07 -0.10 0.00 0.95 0.00 0.00 175.26 175.96 1jyi s ALA 193 N -0.52 0.81 -0.04 -0.84 0.00 0.79 -1.86 121.76 120.09 1jyi s ALA 193 Ca -0.06 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 1jyi s ALA 193 Cb -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1jyi s ALA 193 CO 0.01 0.15 0.13 0.99 0.00 0.00 0.00 175.76 177.03 1jyi s THR 194 N -0.64 0.01 -0.14 0.00 2.01 -0.48 -0.34 115.64 116.07 1jyi s THR 194 Ca 0.00 -0.07 -0.18 0.00 0.31 0.00 0.00 61.69 61.74 1jyi s THR 194 Cb -0.06 -0.21 0.05 0.00 0.01 0.00 0.00 72.50 72.29 1jyi s THR 194 CO 0.00 -0.04 0.48 0.72 -0.69 0.00 0.00 174.62 175.10 1jyi s PHE 195 N -0.08 -0.49 -0.14 4.92 -0.71 -0.90 -1.03 117.98 119.55 1jyi s PHE 195 Ca -0.01 1.13 -0.06 0.00 -1.04 0.00 0.00 56.93 56.94 1jyi s PHE 195 Cb -0.02 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.95 1jyi s PHE 195 CO 0.00 -0.32 0.07 0.95 -1.34 0.00 0.00 175.22 174.58 1jyi s THR 196 N -0.16 4.89 0.14 -4.49 -4.23 -1.07 -0.92 115.64 109.79 1jyi s THR 196 Ca -0.03 -0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.51 1jyi s THR 196 Cb -0.03 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 1jyi s THR 196 CO 0.02 0.54 -0.11 0.72 -0.54 0.00 0.00 174.62 175.26 1jyi s PHE 197 N -0.34 1.29 -0.19 3.99 -0.12 -0.02 -1.35 117.98 121.24 1jyi s PHE 197 Ca 0.09 -0.72 -0.02 0.00 -0.05 0.00 0.00 56.93 56.23 1jyi s PHE 197 Cb -0.12 -0.66 0.06 0.00 -0.63 0.00 0.00 43.02 41.67 1jyi s PHE 197 CO 0.02 0.10 0.02 -1.17 -0.05 0.00 0.00 175.22 174.14 1jyi s LEU 198 N -3.05 1.28 -0.28 -1.99 2.96 -0.51 0.00 118.68 117.10 1jyi s LEU 198 Ca 0.15 -0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 1jyi s LEU 198 Cb 0.01 -0.65 0.01 0.00 0.50 0.00 0.00 46.19 46.06 1jyi s LEU 198 CO 0.01 -0.29 0.04 -0.63 -1.32 0.00 0.00 176.35 174.16 1jyi s ILE 199 N 1.82 3.66 -0.09 6.68 1.01 -1.25 -2.88 121.20 130.15 1jyi s ILE 199 Ca -0.01 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1jyi s ILE 199 Cb -0.17 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1jyi s ILE 199 CO -0.08 0.13 -0.21 -0.54 0.00 0.00 0.00 174.94 174.24 1jyi s LYS 200 N 1.45 2.63 -0.46 2.79 1.02 -1.24 -0.75 119.74 125.19 1jyi s LYS 200 Ca 0.02 -0.76 0.04 0.00 0.02 0.00 0.00 55.97 55.29 1jyi s LYS 200 Cb -0.17 -2.04 0.12 0.00 -0.52 0.00 0.00 37.83 35.22 1jyi s LYS 200 CO 0.00 0.16 0.19 0.45 -0.92 0.00 0.00 175.35 175.23 1jyi s SER 201 N 0.37 4.48 0.23 2.83 0.15 -1.26 -1.59 113.70 118.91 1jyi s SER 201 Ca -0.16 -2.71 -0.08 0.00 0.70 0.00 0.00 55.95 53.70 1jyi s SER 201 Cb -0.17 -1.64 0.22 0.00 -1.71 0.00 0.00 66.02 62.72 1jyi s SER 201 CO 0.07 -0.28 1.91 1.55 1.20 0.00 0.00 173.24 177.68 1jyi h PRO 202 N 6.90 1.19 -0.07 5.44 0.13 -1.95 -1.87 132.00 141.76 1jyi h PRO 202 Ca -0.07 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1jyi h PRO 202 Cb 0.94 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1jyi h PRO 202 CO 0.63 0.79 0.00 -0.40 -0.23 0.00 0.00 178.00 178.79 1jyi n ASP 203 N -4.45 0.07 0.00 1.44 5.75 -1.26 -4.84 116.55 113.26 1jyi n ASP 203 Ca 0.10 -0.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 1jyi n ASP 203 Cb 0.01 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1jyi n ASP 203 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1jyi n SER 204 N -0.39 0.00 -4.27 -1.12 7.64 -0.71 -4.85 113.62 109.92 1jyi n SER 204 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1jyi n SER 204 Cb 0.02 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.15 1jyi n SER 204 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1jyi s HIS 205 N 0.00 3.33 0.23 1.43 5.65 -1.26 -4.99 115.29 119.67 1jyi s HIS 205 Ca 0.00 -1.51 -0.26 0.00 0.25 0.00 0.00 55.06 53.54 1jyi s HIS 205 Cb 0.00 -3.57 -0.09 0.00 -1.18 0.00 0.00 32.58 27.74 1jyi s HIS 205 CO 0.00 -0.98 0.85 -1.25 -0.65 0.00 0.00 174.74 172.71 1jyi s PRO 206 N 1.50 4.60 -0.30 2.88 0.04 -1.26 -3.86 135.00 138.61 1jyi s PRO 206 Ca 0.04 1.24 -0.20 0.00 0.04 0.00 0.00 61.00 62.12 1jyi s PRO 206 Cb -0.28 -3.12 0.19 0.00 0.04 0.00 0.00 34.50 31.33 1jyi s PRO 206 CO 0.02 0.47 1.26 0.00 0.04 0.00 0.00 177.00 178.79 1jyi s ALA 207 N -1.31 -2.40 0.00 8.56 0.00 -1.23 -4.32 121.76 121.06 1jyi s ALA 207 Ca 0.41 1.90 0.00 0.00 0.00 0.00 0.00 51.96 54.28 1jyi s ALA 207 Cb -0.22 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1jyi s ALA 207 CO 0.26 -0.24 0.00 -0.25 0.00 0.00 0.00 175.76 175.53 1jyi n ASP 208 N 2.60 0.99 0.00 0.00 9.92 -0.39 -3.55 116.55 126.11 1jyi n ASP 208 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 1jyi n ASP 208 Cb 0.57 0.19 0.00 0.00 -0.64 0.00 0.00 41.12 41.23 1jyi n ASP 208 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jyi n GLY 209 N 0.55 2.56 3.29 0.44 0.00 -1.23 -2.52 105.19 108.29 1jyi n GLY 209 Ca 0.00 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 1jyi n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jyi s ILE 210 N -1.83 1.64 -0.05 -0.61 1.01 -0.94 -2.71 121.20 117.70 1jyi s ILE 210 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 60.65 58.75 1jyi s ILE 210 Cb 0.00 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.85 1jyi s ILE 210 CO 0.00 -0.27 0.37 0.00 0.00 0.00 0.00 174.94 175.05 1jyi s ALA 211 N -1.79 -0.94 -0.22 9.38 0.00 -0.72 -0.02 121.76 127.46 1jyi s ALA 211 Ca 0.11 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 52.61 1jyi s ALA 211 Cb -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1jyi s ALA 211 CO 0.05 -0.25 0.11 0.12 0.00 0.00 0.00 175.76 175.78 1jyi s PHE 212 N -0.93 3.25 0.26 0.00 5.36 -0.85 -1.04 117.98 124.03 1jyi s PHE 212 Ca -0.10 0.05 0.04 0.00 -0.96 0.00 0.00 56.93 55.96 1jyi s PHE 212 Cb -0.04 -2.20 -0.06 0.00 -0.34 0.00 0.00 43.02 40.38 1jyi s PHE 212 CO 0.04 0.01 0.01 -0.59 -1.46 0.00 0.00 175.22 173.23 1jyi s PHE 213 N 0.94 1.70 -0.02 10.12 -0.71 -0.38 -1.45 117.98 128.18 1jyi s PHE 213 Ca 0.06 -0.92 0.02 0.00 -1.04 0.00 0.00 56.93 55.04 1jyi s PHE 213 Cb -0.13 -1.02 0.01 0.00 -1.21 0.00 0.00 43.02 40.66 1jyi s PHE 213 CO 0.03 -0.01 -0.06 0.42 -1.34 0.00 0.00 175.22 174.26 1jyi s ILE 214 N -3.37 0.56 0.25 -4.49 1.01 0.03 -2.11 121.20 113.09 1jyi s ILE 214 Ca 0.31 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 1jyi s ILE 214 Cb 0.06 -0.52 0.03 0.00 0.01 0.00 0.00 42.46 42.04 1jyi s ILE 214 CO 0.11 0.19 0.47 -1.54 0.00 0.00 0.00 174.94 174.16 1jyi n SER 215 N 3.38 -1.34 -4.77 3.58 3.41 -0.84 -2.13 113.62 114.91 1jyi n SER 215 Ca -0.18 -2.10 -0.37 0.00 -0.26 0.00 0.00 58.87 55.95 1jyi n SER 215 Cb 0.55 2.29 0.01 0.00 -0.26 0.00 0.00 64.21 66.79 1jyi n SER 215 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jyi s ASN 216 N -2.38 5.86 0.48 4.04 4.22 -1.25 -1.03 114.94 124.88 1jyi s ASN 216 Ca 0.13 2.39 0.35 0.00 -2.14 0.00 0.00 52.86 53.59 1jyi s ASN 216 Cb -0.03 -2.61 1.49 0.00 1.28 0.00 0.00 41.25 41.39 1jyi s ASN 216 CO 0.09 -1.13 1.64 0.40 -2.04 0.00 0.00 177.10 176.06 1jyi h ILE 217 N 1.64 0.15 -0.55 0.54 2.04 -1.85 -1.06 117.51 118.42 1jyi h ILE 217 Ca -0.50 -0.03 -0.20 0.00 1.00 0.00 0.00 64.86 65.14 1jyi h ILE 217 Cb 1.26 0.07 -0.12 0.00 -0.74 0.00 0.00 36.82 37.30 1jyi h ILE 217 CO 0.59 0.01 0.16 -0.90 0.00 0.00 0.00 178.15 178.01 1jyi n ASP 218 N -4.45 3.77 -4.73 1.72 5.75 -1.26 -4.85 116.55 112.49 1jyi n ASP 218 Ca 0.37 -3.40 -0.39 0.00 -0.01 0.00 0.00 54.79 51.37 1jyi n ASP 218 Cb 1.51 -0.68 0.04 0.00 -1.03 0.00 0.00 41.12 40.96 1jyi n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1jyi n SER 219 N -0.67 2.49 -4.16 -1.12 2.88 -0.40 -5.03 113.62 107.62 1jyi n SER 219 Ca 0.37 0.96 -0.10 0.00 -1.33 0.00 0.00 58.87 58.77 1jyi n SER 219 Cb 1.21 -1.56 -0.10 0.00 -0.75 0.00 0.00 64.21 63.02 1jyi n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jyi s SER 220 N -0.94 0.47 0.02 -3.46 1.04 -1.26 -5.08 113.70 104.48 1jyi s SER 220 Ca 0.72 -1.19 -0.30 0.00 0.48 0.00 0.00 55.95 55.66 1jyi s SER 220 Cb -0.42 0.26 -0.07 0.00 0.10 0.00 0.00 66.02 65.89 1jyi s SER 220 CO 0.49 -0.69 1.70 -0.63 0.98 0.00 0.00 173.24 175.09 1jyi s ILE 221 N -3.98 3.24 1.08 -1.02 1.01 -1.26 -4.97 121.20 115.29 1jyi s ILE 221 Ca 0.23 0.50 -0.12 0.00 0.00 0.00 0.00 60.65 61.25 1jyi s ILE 221 Cb 0.07 -3.32 0.23 0.00 0.01 0.00 0.00 42.46 39.46 1jyi s ILE 221 CO 0.01 -0.02 1.06 -2.84 0.00 0.00 0.00 174.94 173.15 1jyi s PRO 222 N 3.45 -0.23 -0.06 2.79 0.02 -1.26 -4.94 135.00 134.77 1jyi s PRO 222 Ca 0.76 0.98 -0.29 0.00 0.02 0.00 0.00 61.00 62.47 1jyi s PRO 222 Cb -0.38 -1.62 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 1jyi s PRO 222 CO 0.33 -3.30 0.97 -1.12 -0.33 0.00 0.00 177.00 173.54 1jyi s SER 223 N -2.68 7.27 -1.52 2.53 0.01 -1.26 -3.42 113.70 114.63 1jyi s SER 223 Ca 0.67 1.55 0.00 0.00 1.31 0.00 0.00 55.95 59.49 1jyi s SER 223 Cb -0.23 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1jyi s SER 223 CO 0.62 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.55 1jyi n GLY 224 N 3.02 -0.17 1.36 3.44 0.00 -1.26 -4.84 105.19 106.73 1jyi n GLY 224 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 1jyi n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jyi n SER 225 N -1.28 3.26 -4.82 1.61 3.41 -1.22 -4.88 113.62 109.70 1jyi n SER 225 Ca -0.20 -2.59 -0.36 0.00 -0.26 0.00 0.00 58.87 55.46 1jyi n SER 225 Cb 0.65 -0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 1jyi n SER 225 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1jyi s THR 226 N -1.65 4.61 0.00 6.66 -1.32 -1.26 0.36 115.64 123.03 1jyi s THR 226 Ca 0.26 1.24 0.00 0.00 -1.21 0.00 0.00 61.69 61.97 1jyi s THR 226 Cb 0.21 -3.86 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 1jyi s THR 226 CO 0.06 0.25 0.00 0.61 -2.21 0.00 0.00 174.62 173.33 1jyi n GLY 227 N 0.85 1.03 0.35 6.08 0.00 -0.96 -4.23 105.19 108.31 1jyi n GLY 227 Ca -0.03 -0.87 0.17 0.00 0.00 0.00 0.00 46.02 45.28 1jyi n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1jyi h ARG 228 N 0.00 0.00 0.00 1.61 0.11 -1.88 -1.66 114.38 112.55 1jyi h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jyi h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1jyi h ARG 228 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1jyi n LEU 229 N -4.28 0.00 0.00 0.08 4.77 -1.26 -4.88 117.00 111.43 1jyi n LEU 229 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1jyi n LEU 229 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1jyi n LEU 229 CO 0.34 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.58 1jyi n LEU 230 N -0.93 0.86 0.00 2.23 4.77 -0.63 -1.46 117.00 121.84 1jyi n LEU 230 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1jyi n LEU 230 Cb 0.09 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.56 1jyi n LEU 230 CO 0.14 -0.58 0.00 0.61 -1.33 0.00 0.00 177.39 176.23 1jyi n GLY 231 N -0.72 0.58 0.20 -0.72 0.00 0.16 -3.44 105.19 101.24 1jyi n GLY 231 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1jyi n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jyi n LEU 232 N 0.00 2.27 -4.79 0.99 4.77 -0.54 -4.38 117.00 115.33 1jyi n LEU 232 Ca 0.00 0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.86 1jyi n LEU 232 Cb 0.00 -0.74 -0.05 0.00 -2.33 0.00 0.00 43.42 40.31 1jyi n LEU 232 CO 0.00 0.67 -0.19 -0.36 -1.33 0.00 0.00 177.39 176.18 1jyi s PHE 233 N -2.44 2.98 -0.14 -1.77 0.08 -1.19 -4.69 117.98 110.81 1jyi s PHE 233 Ca -0.32 -0.17 0.17 0.00 0.12 0.00 0.00 56.93 56.73 1jyi s PHE 233 Cb 0.10 -1.43 -0.10 0.00 -0.57 0.00 0.00 43.02 41.03 1jyi s PHE 233 CO 0.46 0.48 0.91 -1.00 -0.10 0.00 0.00 175.22 175.97 1jyi h PRO 234 N 1.54 0.00 0.00 0.24 0.13 -1.92 -3.40 132.00 128.58 1jyi h PRO 234 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1jyi h PRO 234 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1jyi h PRO 234 CO 0.60 0.28 0.00 -0.40 -0.23 0.00 0.00 178.00 178.25 1jyi n ASP 235 N -2.90 0.00 -1.54 1.44 5.68 -1.26 -4.85 116.55 113.12 1jyi n ASP 235 Ca -0.07 -0.32 -0.14 0.00 -0.50 0.00 0.00 54.79 53.76 1jyi n ASP 235 Cb 0.80 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.86 1jyi n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jyi n ALA 236 N -3.00 4.53 1.90 2.12 0.00 -1.26 -4.76 120.51 120.04 1jyi n ALA 236 Ca 0.00 -3.61 0.16 0.00 0.00 0.00 0.00 53.44 49.98 1jyi n ALA 236 Cb 0.00 -0.34 0.87 0.00 0.00 0.00 0.00 19.45 19.98 1jyi n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59