#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cy4 s LYS 3 N 0.00 0.56 0.10 1.61 1.02 -1.26 -4.51 119.74 117.26 1cy4 s LYS 3 Ca 0.00 0.50 0.05 0.00 0.02 0.00 0.00 55.97 56.54 1cy4 s LYS 3 Cb 0.00 -1.75 -0.04 0.00 -0.52 0.00 0.00 37.83 35.52 1cy4 s LYS 3 CO 0.00 -2.64 0.02 0.00 -0.92 0.00 0.00 175.35 171.82 1cy4 s ALA 4 N -3.01 3.35 -0.14 5.17 0.00 0.41 -1.91 121.76 125.64 1cy4 s ALA 4 Ca 0.65 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 1cy4 s ALA 4 Cb -0.18 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1cy4 s ALA 4 CO 0.57 0.68 0.03 -1.17 0.00 0.00 0.00 175.76 175.87 1cy4 s LEU 5 N -2.43 3.68 -0.11 0.00 2.96 -0.42 -0.25 118.68 122.11 1cy4 s LEU 5 Ca 0.27 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 1cy4 s LEU 5 Cb -0.11 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1cy4 s LEU 5 CO 0.19 0.26 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.64 1cy4 s VAL 6 N -0.15 1.48 -0.11 1.68 1.01 0.37 0.25 120.40 124.93 1cy4 s VAL 6 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1cy4 s VAL 6 Cb -0.12 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1cy4 s VAL 6 CO 0.02 0.44 -0.13 -0.63 0.00 0.00 0.00 175.10 174.80 1cy4 s ILE 7 N 1.00 3.10 0.29 2.22 1.01 -0.35 -0.35 121.20 128.12 1cy4 s ILE 7 Ca -0.06 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 59.98 1cy4 s ILE 7 Cb -0.15 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 39.98 1cy4 s ILE 7 CO -0.02 0.54 -0.00 0.68 0.00 0.00 0.00 174.94 176.14 1cy4 s VAL 8 N 0.12 1.34 -1.15 2.92 -7.23 -0.42 -1.45 120.40 114.52 1cy4 s VAL 8 Ca -0.06 -2.05 0.25 0.00 -1.81 0.00 0.00 61.98 58.31 1cy4 s VAL 8 Cb -0.15 -2.57 0.07 0.00 0.56 0.00 0.00 36.38 34.29 1cy4 s VAL 8 CO 0.05 -0.19 1.46 -1.84 -0.31 0.00 0.00 175.10 174.27 1cy4 n GLU 9 N -0.59 0.16 -3.84 4.82 0.00 -1.26 0.29 120.64 120.22 1cy4 n GLU 9 Ca -0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 57.16 56.92 1cy4 n GLU 9 Cb 0.65 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.50 1cy4 n GLU 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1cy4 s SER 10 N -2.90 0.00 0.12 -1.84 1.04 -1.26 -2.86 113.70 106.00 1cy4 s SER 10 Ca 0.14 -0.28 -0.24 0.00 0.48 0.00 0.00 55.95 56.05 1cy4 s SER 10 Cb 0.18 0.27 -0.07 0.00 0.10 0.00 0.00 66.02 66.50 1cy4 s SER 10 CO 0.66 -0.51 1.67 -0.65 0.98 0.00 0.00 173.24 175.39 1cy4 h PRO 11 N 3.67 -0.27 -0.96 4.02 0.11 -1.92 -1.95 132.00 134.70 1cy4 h PRO 11 Ca -0.32 0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.99 1cy4 h PRO 11 Cb 1.19 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 1cy4 h PRO 11 CO 0.46 -0.18 0.61 0.00 -0.21 0.00 0.00 178.00 178.67 1cy4 h ALA 12 N 0.63 1.82 -0.06 -0.75 0.00 -1.97 0.22 119.26 119.16 1cy4 h ALA 12 Ca 0.05 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1cy4 h ALA 12 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1cy4 h ALA 12 CO -0.15 -0.14 -0.55 -0.22 0.00 0.00 0.00 179.25 178.19 1cy4 h LYS 13 N 0.69 0.16 -0.30 0.00 3.64 -1.63 -2.85 116.57 116.28 1cy4 h LYS 13 Ca 0.52 -0.10 -0.18 0.00 -1.27 0.00 0.00 60.65 59.63 1cy4 h LYS 13 Cb 0.90 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1cy4 h LYS 13 CO -0.29 0.67 -0.50 0.00 -2.27 0.00 0.00 179.45 177.07 1cy4 h ALA 14 N 1.31 0.47 -0.03 5.00 0.00 0.11 -2.13 119.26 123.99 1cy4 h ALA 14 Ca -0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1cy4 h ALA 14 Cb 1.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1cy4 h ALA 14 CO 0.08 0.65 0.01 -0.22 0.00 0.00 0.00 179.25 179.77 1cy4 h LYS 15 N 0.66 0.05 -0.21 0.00 3.64 -1.10 -0.38 116.57 119.23 1cy4 h LYS 15 Ca 0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1cy4 h LYS 15 Cb 1.10 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1cy4 h LYS 15 CO 0.11 0.30 0.12 1.15 -2.27 0.00 0.00 179.45 178.86 1cy4 h THR 16 N -0.20 1.10 0.00 1.00 2.02 -1.56 -2.25 112.91 113.03 1cy4 h THR 16 Ca 0.01 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1cy4 h THR 16 Cb 0.27 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1cy4 h THR 16 CO 0.00 0.10 -0.14 -0.29 0.37 0.00 0.00 175.52 175.56 1cy4 h ILE 17 N 0.24 0.41 0.00 3.11 2.10 -1.39 -2.30 117.51 119.69 1cy4 h ILE 17 Ca 0.07 -0.77 -0.05 0.00 1.08 0.00 0.00 64.86 65.20 1cy4 h ILE 17 Cb 0.06 1.55 -0.01 0.00 -1.09 0.00 0.00 36.82 37.33 1cy4 h ILE 17 CO -0.01 0.13 -0.22 -1.13 -1.08 0.00 0.00 178.15 175.84 1cy4 h ASN 18 N 0.00 0.00 0.61 2.19 -0.73 -0.44 -2.13 115.58 115.08 1cy4 h ASN 18 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1cy4 h ASN 18 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.13 1cy4 h ASN 18 CO 0.02 0.22 0.00 0.11 -0.37 0.00 0.00 177.43 177.40 1cy4 h LYS 19 N 0.00 0.00 0.00 6.67 1.57 -1.27 -3.14 116.57 120.40 1cy4 h LYS 19 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cy4 h LYS 19 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1cy4 h LYS 19 CO 0.03 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.57 1cy4 n TYR 20 N -2.49 0.00 -4.49 -1.35 4.01 -0.81 -4.99 117.16 107.04 1cy4 n TYR 20 Ca 0.01 -0.43 -0.33 0.00 -0.16 0.00 0.00 57.90 56.98 1cy4 n TYR 20 Cb 0.20 -0.04 -0.15 0.00 -0.31 0.00 0.00 39.34 39.04 1cy4 n TYR 20 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1cy4 s LEU 21 N -0.87 2.64 0.00 7.72 1.43 -1.15 -4.83 118.68 123.63 1cy4 s LEU 21 Ca 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1cy4 s LEU 21 Cb 0.00 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1cy4 s LEU 21 CO 0.00 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1cy4 n GLY 22 N 4.00 -3.02 0.16 -3.19 0.00 -1.26 -4.83 105.19 97.05 1cy4 n GLY 22 Ca -0.19 -1.00 0.03 0.00 0.00 0.00 0.00 46.02 44.86 1cy4 n GLY 22 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1cy4 h SER 23 N -1.38 0.00 0.22 1.61 0.02 -1.99 -3.05 113.55 108.99 1cy4 h SER 23 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cy4 h SER 23 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1cy4 h SER 23 CO 0.00 0.48 0.00 0.47 -1.14 0.00 0.00 176.83 176.64 1cy4 n ASP 24 N -3.65 0.00 -4.59 3.07 8.00 -1.26 -4.77 116.55 113.35 1cy4 n ASP 24 Ca -0.01 -0.49 -0.34 0.00 0.71 0.00 0.00 54.79 54.67 1cy4 n ASP 24 Cb 0.56 -0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.42 1cy4 n ASP 24 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1cy4 s TYR 25 N -2.27 2.95 -0.26 1.24 2.02 -1.15 0.16 117.35 120.03 1cy4 s TYR 25 Ca 0.33 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 57.07 1cy4 s TYR 25 Cb 0.18 -1.70 0.07 0.00 -0.40 0.00 0.00 41.96 40.10 1cy4 s TYR 25 CO 0.35 0.35 -0.05 0.08 -1.57 0.00 0.00 175.55 174.70 1cy4 s VAL 26 N -0.84 1.80 0.11 0.71 1.01 0.66 -4.89 120.40 118.95 1cy4 s VAL 26 Ca 0.13 -1.50 -0.21 0.00 0.00 0.00 0.00 61.98 60.40 1cy4 s VAL 26 Cb -0.11 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.14 1cy4 s VAL 26 CO 0.02 -0.16 0.64 -0.69 0.00 0.00 0.00 175.10 174.90 1cy4 s VAL 27 N 1.25 4.62 -0.15 2.92 1.01 -1.26 -0.48 120.40 128.31 1cy4 s VAL 27 Ca -0.04 1.37 -0.09 0.00 0.00 0.00 0.00 61.98 63.22 1cy4 s VAL 27 Cb -0.19 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.27 1cy4 s VAL 27 CO -0.07 0.54 0.36 -0.75 0.00 0.00 0.00 175.10 175.18 1cy4 s LYS 28 N -1.14 0.36 -0.22 2.72 2.47 0.53 -4.94 119.74 119.52 1cy4 s LYS 28 Ca 0.31 0.67 -0.15 0.00 -1.56 0.00 0.00 55.97 55.25 1cy4 s LYS 28 Cb -0.21 0.00 -0.04 0.00 -1.46 0.00 0.00 37.83 36.13 1cy4 s LYS 28 CO 0.21 -0.14 0.36 -1.54 0.16 0.00 0.00 175.35 174.41 1cy4 s SER 29 N 1.12 6.37 0.64 1.43 1.04 -1.26 -1.30 113.70 121.73 1cy4 s SER 29 Ca -0.08 0.43 0.43 0.00 0.48 0.00 0.00 55.95 57.21 1cy4 s SER 29 Cb -0.08 -2.21 2.30 0.00 0.10 0.00 0.00 66.02 66.13 1cy4 s SER 29 CO -0.09 -0.08 2.31 0.77 0.98 0.00 0.00 173.24 177.13 1cy4 h SER 30 N 7.52 0.00 -5.67 7.02 4.64 -0.40 -3.47 113.55 123.19 1cy4 h SER 30 Ca -0.35 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.68 1cy4 h SER 30 Cb 1.16 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.40 1cy4 h SER 30 CO 0.70 0.00 -0.81 0.52 -0.87 0.00 0.00 176.83 176.36 1cy4 n VAL 31 N -3.02 -8.31 0.00 0.95 0.31 -1.21 -4.82 118.33 102.23 1cy4 n VAL 31 Ca -0.03 -1.14 0.00 0.00 -0.01 0.00 0.00 64.34 63.16 1cy4 n VAL 31 Cb 0.08 -5.93 0.00 0.00 -0.91 0.00 0.00 33.84 27.08 1cy4 n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cy4 n GLY 32 N -1.40 0.57 0.00 2.92 0.00 -1.13 -4.83 105.19 101.32 1cy4 n GLY 32 Ca -0.07 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.04 1cy4 n GLY 32 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cy4 n HIS 33 N 3.46 0.00 0.00 1.61 8.25 -1.26 -4.92 115.22 122.35 1cy4 n HIS 33 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1cy4 n HIS 33 Cb 0.00 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1cy4 n HIS 33 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1cy4 n ILE 34 N -1.69 0.00 -4.06 1.59 2.08 -1.26 -4.66 119.36 111.36 1cy4 n ILE 34 Ca 0.01 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.20 1cy4 n ILE 34 Cb 0.37 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 39.14 1cy4 n ILE 34 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1cy4 s ARG 35 N 0.00 0.46 0.01 0.38 3.52 -1.26 0.18 118.95 122.23 1cy4 s ARG 35 Ca 0.00 -0.61 -0.03 0.00 -0.13 0.00 0.00 55.73 54.97 1cy4 s ARG 35 Cb 0.00 -0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.16 1cy4 s ARG 35 CO 0.00 0.04 0.13 -3.47 -0.81 0.00 0.00 175.30 171.19 1cy4 n ASP 36 N 1.81 -0.17 -4.87 -2.12 -0.08 -0.93 -4.92 116.55 105.27 1cy4 n ASP 36 Ca -0.21 -1.07 -0.31 0.00 -1.51 0.00 0.00 54.79 51.69 1cy4 n ASP 36 Cb 0.56 0.27 -0.02 0.00 2.34 0.00 0.00 41.12 44.26 1cy4 n ASP 36 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1cy4 s LEU 37 N 0.00 3.68 1.01 -2.67 1.43 -1.26 -1.05 118.68 119.82 1cy4 s LEU 37 Ca 0.03 1.29 -0.24 0.00 -1.03 0.00 0.00 54.13 54.18 1cy4 s LEU 37 Cb -0.00 -4.21 -0.15 0.00 0.03 0.00 0.00 46.19 41.85 1cy4 s LEU 37 CO 0.00 -0.53 -1.18 -2.65 0.23 0.00 0.00 176.35 172.23 1cy4 n PRO 38 N -1.64 -0.14 0.00 1.29 -0.02 -1.26 -4.93 135.00 128.30 1cy4 n PRO 38 Ca 0.04 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1cy4 n PRO 38 Cb 0.54 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 1cy4 n PRO 38 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1cy4 n THR 39 N -3.31 0.00 -1.23 3.45 -1.04 -1.26 -5.04 114.28 105.85 1cy4 n THR 39 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1cy4 n THR 39 Cb 0.69 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 1cy4 n THR 39 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1cy4 n ASP 62 N 0.00 0.00 -4.72 8.00 9.92 -1.26 -5.17 116.55 123.32 1cy4 n ASP 62 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 1cy4 n ASP 62 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1cy4 n ASP 62 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1cy4 s GLU 63 N -1.34 2.66 -0.20 -1.24 1.03 -1.26 -5.07 118.70 113.27 1cy4 s GLU 63 Ca 0.00 -0.89 -0.00 0.00 0.03 0.00 0.00 54.97 54.11 1cy4 s GLU 63 Cb 0.00 -2.55 0.05 0.00 -0.80 0.00 0.00 34.13 30.83 1cy4 s GLU 63 CO 0.00 0.51 -0.05 0.50 -1.33 0.00 0.00 175.26 174.89 1cy4 s ARG 64 N -2.68 1.48 0.46 -4.83 3.52 -1.26 -5.01 118.95 110.64 1cy4 s ARG 64 Ca 0.28 -0.75 0.28 0.00 -0.13 0.00 0.00 55.73 55.41 1cy4 s ARG 64 Cb -0.11 -2.33 1.34 0.00 -1.56 0.00 0.00 34.95 32.29 1cy4 s ARG 64 CO 0.20 -0.53 1.76 0.78 -0.81 0.00 0.00 175.30 176.70 1cy4 h GLY 65 N 8.05 0.72 0.89 8.12 0.00 -2.00 -0.15 103.07 118.70 1cy4 h GLY 65 Ca -0.21 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.03 1cy4 h GLY 65 CO 0.41 -0.11 0.04 0.00 0.00 0.00 0.00 176.54 176.87 1cy4 h ALA 66 N 1.52 0.13 -0.60 3.60 0.00 -2.01 -2.68 119.26 119.22 1cy4 h ALA 66 Ca 0.62 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.48 1cy4 h ALA 66 Cb 2.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1cy4 h ALA 66 CO -0.19 -0.41 0.09 1.25 0.00 0.00 0.00 179.25 179.99 1cy4 h LEU 67 N 0.10 0.96 -1.06 0.00 6.46 -1.47 -3.16 115.31 117.14 1cy4 h LEU 67 Ca 0.05 -0.26 0.03 0.00 -0.12 0.00 0.00 57.88 57.59 1cy4 h LEU 67 Cb 0.03 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 39.65 1cy4 h LEU 67 CO -0.06 0.98 0.63 0.58 -0.62 0.00 0.00 178.44 179.95 1cy4 h VAL 68 N 0.91 1.17 -0.31 1.05 2.07 -1.26 -2.41 116.25 117.47 1cy4 h VAL 68 Ca 0.18 -0.42 -0.16 0.00 0.82 0.00 0.00 66.70 67.12 1cy4 h VAL 68 Cb 0.43 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1cy4 h VAL 68 CO 0.01 0.22 -0.43 0.78 0.02 0.00 0.00 177.57 178.18 1cy4 h ASN 69 N 1.22 0.91 -0.28 0.57 -0.26 -1.45 0.19 115.58 116.49 1cy4 h ASN 69 Ca 0.38 -0.50 -0.04 0.00 -0.56 0.00 0.00 56.30 55.58 1cy4 h ASN 69 Cb -0.01 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.97 1cy4 h ASN 69 CO -0.11 1.24 0.06 0.03 -1.06 0.00 0.00 177.43 177.59 1cy4 h ARG 70 N 0.62 0.54 0.15 0.81 3.08 -1.49 -3.15 114.38 114.94 1cy4 h ARG 70 Ca 0.03 -0.09 -0.27 0.00 0.07 0.00 0.00 59.98 59.72 1cy4 h ARG 70 Cb 1.03 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.00 1cy4 h ARG 70 CO 0.10 0.52 -1.33 0.52 -1.07 0.00 0.00 179.97 178.70 1cy4 h MET 71 N 0.52 0.32 0.00 0.04 2.86 -1.35 -3.44 114.93 113.88 1cy4 h MET 71 Ca 0.12 -0.54 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1cy4 h MET 71 Cb 0.24 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1cy4 h MET 71 CO 0.00 1.26 0.00 0.41 1.06 0.00 0.00 176.91 179.64 1cy4 n GLY 72 N 1.74 0.64 2.92 8.32 0.00 0.66 -4.47 105.19 115.00 1cy4 n GLY 72 Ca -0.21 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1cy4 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cy4 s VAL 73 N -2.00 0.16 -0.43 1.61 1.01 -1.23 -1.04 120.40 118.47 1cy4 s VAL 73 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1cy4 s VAL 73 Cb 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 36.38 36.33 1cy4 s VAL 73 CO 0.00 -0.04 0.16 -0.62 0.00 0.00 0.00 175.10 174.60 1cy4 s ASP 74 N -0.28 4.64 0.13 3.32 -1.08 -0.57 -4.68 116.67 118.15 1cy4 s ASP 74 Ca -0.02 -2.52 0.12 0.00 -0.52 0.00 0.00 52.55 49.61 1cy4 s ASP 74 Cb -0.02 -1.66 0.58 0.00 -1.46 0.00 0.00 42.92 40.36 1cy4 s ASP 74 CO -0.00 -0.33 1.36 -2.65 0.52 0.00 0.00 175.17 174.07 1cy4 n PRO 75 N 3.78 0.07 -0.00 4.34 -0.02 -1.26 -0.12 135.00 141.78 1cy4 n PRO 75 Ca 0.04 0.50 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 1cy4 n PRO 75 Cb 0.38 -1.69 -0.12 0.00 -0.02 0.00 0.00 33.50 32.05 1cy4 n PRO 75 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1cy4 n TRP 76 N -1.83 0.00 -2.87 6.00 8.01 -1.26 -4.46 117.44 121.04 1cy4 n TRP 76 Ca 0.00 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 55.93 1cy4 n TRP 76 Cb 0.06 -0.20 -0.03 0.00 -2.01 0.00 0.00 31.31 29.13 1cy4 n TRP 76 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 1cy4 n HIS 77 N -1.75 3.62 -4.09 -5.99 8.25 -0.87 -4.93 115.22 109.45 1cy4 n HIS 77 Ca 0.00 -3.80 -0.29 0.00 -0.26 0.00 0.00 57.72 53.37 1cy4 n HIS 77 Cb 0.36 -0.41 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 1cy4 n HIS 77 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1cy4 n ASN 78 N -0.25 -0.13 -3.87 0.41 4.05 -1.23 -2.83 115.26 111.40 1cy4 n ASN 78 Ca 0.32 -1.13 -0.27 0.00 0.45 0.00 0.00 54.58 53.94 1cy4 n ASN 78 Cb 0.47 -2.43 0.02 0.00 1.23 0.00 0.00 39.78 39.07 1cy4 n ASN 78 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 1cy4 n TRP 79 N -4.50 -2.11 -2.49 1.20 7.02 0.83 -4.95 117.44 112.44 1cy4 n TRP 79 Ca -0.30 0.87 -0.41 0.00 -1.02 0.00 0.00 57.50 56.64 1cy4 n TRP 79 Cb 0.68 -4.03 -0.04 0.00 -2.42 0.00 0.00 31.31 25.50 1cy4 n TRP 79 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1cy4 s GLU 80 N -6.44 4.58 0.26 -0.99 2.12 -1.13 -4.65 118.70 112.46 1cy4 s GLU 80 Ca 0.42 1.74 0.08 0.00 0.36 0.00 0.00 54.97 57.57 1cy4 s GLU 80 Cb -0.21 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1cy4 s GLU 80 CO 0.83 0.06 0.10 0.00 -0.54 0.00 0.00 175.26 175.71 1cy4 s ALA 81 N -0.27 3.37 -0.51 6.30 0.00 -1.26 -1.51 121.76 127.88 1cy4 s ALA 81 Ca 0.49 -1.54 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1cy4 s ALA 81 Cb -0.30 -1.03 0.16 0.00 0.00 0.00 0.00 23.12 21.95 1cy4 s ALA 81 CO 0.35 0.26 0.36 -1.58 0.00 0.00 0.00 175.76 175.15 1cy4 s HIS 82 N -2.23 2.07 0.48 0.00 2.46 -0.21 -4.98 115.29 112.88 1cy4 s HIS 82 Ca 0.32 -2.65 -0.18 0.00 0.47 0.00 0.00 55.06 53.02 1cy4 s HIS 82 Cb -0.07 -1.71 -0.09 0.00 -0.13 0.00 0.00 32.58 30.58 1cy4 s HIS 82 CO 0.22 -0.73 0.97 0.71 -2.47 0.00 0.00 174.74 173.44 1cy4 s TYR 83 N -0.32 3.39 -0.02 3.88 2.02 -1.26 -4.60 117.35 120.45 1cy4 s TYR 83 Ca 0.26 1.52 -0.01 0.00 -0.37 0.00 0.00 57.07 58.47 1cy4 s TYR 83 Cb -0.06 -2.81 0.01 0.00 -0.40 0.00 0.00 41.96 38.69 1cy4 s TYR 83 CO -0.13 -0.26 0.04 -1.21 -1.57 0.00 0.00 175.55 172.42 1cy4 s GLU 84 N -3.70 0.04 0.50 -0.62 2.02 -0.21 -4.90 118.70 111.83 1cy4 s GLU 84 Ca 0.60 0.07 -0.23 0.00 0.02 0.00 0.00 54.97 55.43 1cy4 s GLU 84 Cb -0.10 0.00 -0.06 0.00 0.10 0.00 0.00 34.13 34.08 1cy4 s GLU 84 CO 0.24 -0.02 1.32 0.14 0.02 0.00 0.00 175.26 176.96 1cy4 s VAL 85 N 0.10 2.35 0.90 2.63 -7.23 -1.26 -2.19 120.40 115.71 1cy4 s VAL 85 Ca -0.01 0.28 -0.12 0.00 -1.81 0.00 0.00 61.98 60.32 1cy4 s VAL 85 Cb -0.01 -3.15 0.13 0.00 0.56 0.00 0.00 36.38 33.91 1cy4 s VAL 85 CO -0.00 0.01 1.10 -0.76 -0.31 0.00 0.00 175.10 175.13 1cy4 s LEU 86 N -3.18 2.15 0.17 1.32 1.43 0.13 -4.92 118.68 115.79 1cy4 s LEU 86 Ca 0.67 1.32 -0.32 0.00 -1.03 0.00 0.00 54.13 54.77 1cy4 s LEU 86 Cb -0.38 -3.72 -0.11 0.00 0.03 0.00 0.00 46.19 42.01 1cy4 s LEU 86 CO 0.46 -2.60 1.78 -2.84 0.23 0.00 0.00 176.35 173.39 1cy4 s PRO 87 N -5.03 4.13 0.00 1.29 0.02 -1.26 -2.25 135.00 131.89 1cy4 s PRO 87 Ca 0.63 2.62 0.00 0.00 0.02 0.00 0.00 61.00 64.27 1cy4 s PRO 87 Cb -0.17 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.03 1cy4 s PRO 87 CO 0.56 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.84 1cy4 n GLY 88 N 4.11 2.31 0.00 0.52 0.00 -1.26 -4.80 105.19 106.07 1cy4 n GLY 88 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1cy4 n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cy4 n LYS 89 N -1.89 0.77 -0.13 1.61 4.76 -0.96 -3.65 118.16 118.67 1cy4 n LYS 89 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1cy4 n LYS 89 Cb 0.00 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.69 1cy4 n LYS 89 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1cy4 h GLU 90 N 0.00 0.71 0.00 1.97 4.57 -1.87 -2.04 114.58 117.91 1cy4 h GLU 90 Ca 0.00 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 57.87 1cy4 h GLU 90 Cb 0.00 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1cy4 h GLU 90 CO 0.00 0.83 -0.30 1.57 -1.18 0.00 0.00 179.01 179.93 1cy4 h LYS 91 N 0.53 0.00 -0.33 1.92 2.10 -1.97 -2.32 116.57 116.50 1cy4 h LYS 91 Ca 0.11 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.63 1cy4 h LYS 91 Cb 0.53 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 1cy4 h LYS 91 CO 0.03 0.30 -0.30 0.28 -2.00 0.00 0.00 179.45 177.75 1cy4 h VAL 92 N 0.00 1.28 0.74 0.07 2.07 -1.67 -2.38 116.25 116.36 1cy4 h VAL 92 Ca -0.00 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 1cy4 h VAL 92 Cb 0.66 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1cy4 h VAL 92 CO 0.04 0.47 -0.36 0.58 0.02 0.00 0.00 177.57 178.32 1cy4 h VAL 93 N 0.60 0.25 -0.84 2.57 2.07 -0.82 -2.54 116.25 117.54 1cy4 h VAL 93 Ca 0.07 -0.05 0.14 0.00 0.82 0.00 0.00 66.70 67.68 1cy4 h VAL 93 Cb 0.82 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1cy4 h VAL 93 CO 0.07 0.01 0.55 0.28 0.02 0.00 0.00 177.57 178.49 1cy4 h SER 94 N -1.03 0.58 -0.37 0.57 0.02 -1.48 -0.31 113.55 111.53 1cy4 h SER 94 Ca -0.10 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 1cy4 h SER 94 Cb 0.77 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1cy4 h SER 94 CO 0.17 0.30 0.03 -0.08 -1.14 0.00 0.00 176.83 176.11 1cy4 h GLU 95 N 0.62 0.73 -0.10 3.45 4.81 -1.24 -2.38 114.58 120.46 1cy4 h GLU 95 Ca 0.42 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1cy4 h GLU 95 Cb 0.72 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1cy4 h GLU 95 CO -0.17 0.72 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.66 1cy4 h LEU 96 N 0.69 0.27 -1.24 1.64 3.38 -0.66 -2.84 115.31 116.55 1cy4 h LEU 96 Ca 0.14 -0.48 0.17 0.00 0.09 0.00 0.00 57.88 57.80 1cy4 h LEU 96 Cb 0.39 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 1cy4 h LEU 96 CO 0.01 0.69 0.60 0.11 0.09 0.00 0.00 178.44 179.94 1cy4 h LYS 97 N -0.15 0.65 -0.06 1.13 1.57 -1.16 0.13 116.57 118.68 1cy4 h LYS 97 Ca 0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1cy4 h LYS 97 Cb 0.62 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1cy4 h LYS 97 CO 0.03 0.43 0.02 1.96 -0.57 0.00 0.00 179.45 181.31 1cy4 h GLN 98 N 0.67 0.10 0.00 3.15 4.20 -1.35 -1.91 115.11 119.97 1cy4 h GLN 98 Ca 0.50 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.16 1cy4 h GLN 98 Cb 0.86 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 1cy4 h GLN 98 CO -0.25 0.27 -0.12 -0.07 -0.67 0.00 0.00 178.83 177.99 1cy4 h LEU 99 N -0.10 0.00 -0.33 1.46 3.38 -0.95 -2.57 115.31 116.20 1cy4 h LEU 99 Ca 0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 1cy4 h LEU 99 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1cy4 h LEU 99 CO -0.00 0.12 -0.76 0.00 0.09 0.00 0.00 178.44 177.89 1cy4 h ALA 100 N 1.88 0.51 0.00 1.53 0.00 -0.39 -3.14 119.26 119.65 1cy4 h ALA 100 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1cy4 h ALA 100 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1cy4 h ALA 100 CO 0.02 0.75 0.00 1.05 0.00 0.00 0.00 179.25 181.06 1cy4 h GLU 101 N 0.34 0.00 -0.38 0.00 4.11 -0.94 -3.08 114.58 114.62 1cy4 h GLU 101 Ca -0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 1cy4 h GLU 101 Cb 1.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 1cy4 h GLU 101 CO 0.14 0.00 0.03 0.36 0.07 0.00 0.00 179.01 179.61 1cy4 n LYS 102 N -2.66 3.13 -4.34 1.06 2.85 -1.15 -4.96 118.16 112.09 1cy4 n LYS 102 Ca 0.03 -2.97 -0.18 0.00 -1.05 0.00 0.00 58.31 54.14 1cy4 n LYS 102 Cb 0.38 -1.95 -0.14 0.00 -0.65 0.00 0.00 35.03 32.67 1cy4 n LYS 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1cy4 s ALA 103 N -2.91 0.77 -0.01 0.58 0.00 -1.17 -4.34 121.76 114.68 1cy4 s ALA 103 Ca 0.46 -0.45 -0.23 0.00 0.00 0.00 0.00 51.96 51.74 1cy4 s ALA 103 Cb 0.37 -0.17 -0.15 0.00 0.00 0.00 0.00 23.12 23.18 1cy4 s ALA 103 CO 0.09 0.17 1.04 -0.44 0.00 0.00 0.00 175.76 176.62 1cy4 h ASP 104 N 5.74 -0.42 -3.66 0.00 3.32 -1.61 -3.46 116.42 116.32 1cy4 h ASP 104 Ca -0.32 -0.14 -0.67 0.00 0.02 0.00 0.00 57.03 55.93 1cy4 h ASP 104 Cb 1.18 0.11 -0.21 0.00 0.22 0.00 0.00 39.33 40.63 1cy4 h ASP 104 CO 0.49 -0.01 -0.85 -2.28 -1.72 0.00 0.00 179.24 174.87 1cy4 s HIS 105 N -4.20 2.27 -0.17 4.55 2.46 -1.26 -4.91 115.29 114.03 1cy4 s HIS 105 Ca -0.13 -0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.03 1cy4 s HIS 105 Cb 0.01 -1.19 0.00 0.00 -0.13 0.00 0.00 32.58 31.28 1cy4 s HIS 105 CO 0.46 0.39 -0.15 0.42 -2.47 0.00 0.00 174.74 173.38 1cy4 s ILE 106 N -1.30 2.59 -0.20 0.89 1.01 0.60 -1.30 121.20 123.49 1cy4 s ILE 106 Ca 0.16 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 1cy4 s ILE 106 Cb -0.09 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1cy4 s ILE 106 CO 0.07 0.51 0.02 -0.31 0.00 0.00 0.00 174.94 175.23 1cy4 s TYR 107 N 0.99 3.07 -0.50 3.97 1.51 0.14 -1.16 117.35 125.37 1cy4 s TYR 107 Ca -0.02 -0.36 -0.17 0.00 -1.01 0.00 0.00 57.07 55.51 1cy4 s TYR 107 Cb -0.15 -2.10 0.08 0.00 -0.11 0.00 0.00 41.96 39.69 1cy4 s TYR 107 CO -0.03 -0.18 0.49 -0.51 -1.11 0.00 0.00 175.55 174.20 1cy4 s LEU 108 N 0.95 5.57 -0.72 -1.29 1.43 0.38 -1.22 118.68 123.78 1cy4 s LEU 108 Ca 0.02 -1.33 0.02 0.00 -1.03 0.00 0.00 54.13 51.81 1cy4 s LEU 108 Cb -0.14 -2.25 0.36 0.00 0.03 0.00 0.00 46.19 44.18 1cy4 s LEU 108 CO 0.02 -0.77 1.47 0.00 0.23 0.00 0.00 176.35 177.30 1cy4 n ALA 109 N 5.51 5.58 -1.91 4.21 0.00 -0.53 -1.74 120.51 131.63 1cy4 n ALA 109 Ca -0.11 -4.44 -0.28 0.00 0.00 0.00 0.00 53.44 48.61 1cy4 n ALA 109 Cb 0.43 -1.35 0.08 0.00 0.00 0.00 0.00 19.45 18.61 1cy4 n ALA 109 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cy4 s THR 110 N -4.87 2.29 0.69 0.00 -4.23 -1.26 -4.60 115.64 103.66 1cy4 s THR 110 Ca 0.47 -0.01 -0.17 0.00 -1.18 0.00 0.00 61.69 60.81 1cy4 s THR 110 Cb 0.33 -3.07 0.01 0.00 1.34 0.00 0.00 72.50 71.11 1cy4 s THR 110 CO -0.22 -0.09 1.26 -1.81 -0.54 0.00 0.00 174.62 173.22 1cy4 s ASP 111 N -4.53 4.38 0.55 3.99 1.01 -1.26 -4.88 116.67 115.93 1cy4 s ASP 111 Ca 0.61 2.52 0.37 0.00 0.71 0.00 0.00 52.55 56.75 1cy4 s ASP 111 Cb -0.11 -2.61 1.83 0.00 1.01 0.00 0.00 42.92 43.04 1cy4 s ASP 111 CO 0.48 -2.15 2.11 0.17 0.21 0.00 0.00 175.17 175.99 1cy4 h LEU 112 N 0.16 0.00-10.47 1.23 8.10 -1.92 -3.37 115.31 109.03 1cy4 h LEU 112 Ca -0.49 0.00 -0.44 0.00 0.11 0.00 0.00 57.88 57.06 1cy4 h LEU 112 Cb 1.32 0.00 0.17 0.00 -0.44 0.00 0.00 40.66 41.71 1cy4 h LEU 112 CO 0.51 0.00 0.23 1.51 -4.11 0.00 0.00 178.44 176.58 1cy4 s ASP 113 N -5.09 2.21 0.23 0.17 -4.77 -1.26 -4.74 116.67 103.42 1cy4 s ASP 113 Ca -0.02 0.77 -0.07 0.00 -3.30 0.00 0.00 52.55 49.93 1cy4 s ASP 113 Cb 0.11 -1.15 0.31 0.00 -1.09 0.00 0.00 42.92 41.09 1cy4 s ASP 113 CO 0.42 -3.34 1.82 0.03 0.70 0.00 0.00 175.17 174.80 1cy4 h ARG 114 N -2.04 0.77 0.00 2.11 3.08 -1.89 -0.05 114.38 116.35 1cy4 h ARG 114 Ca -0.48 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.47 1cy4 h ARG 114 Cb 1.30 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1cy4 h ARG 114 CO 0.47 0.51 -0.24 1.05 -1.07 0.00 0.00 179.97 180.69 1cy4 h GLU 115 N 0.80 0.00 -0.51 0.04 4.11 -1.92 0.51 114.58 117.61 1cy4 h GLU 115 Ca 0.35 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.70 1cy4 h GLU 115 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1cy4 h GLU 115 CO -0.20 0.24 0.03 0.78 0.07 0.00 0.00 179.01 179.93 1cy4 h GLY 116 N 0.95 0.96 1.03 1.06 0.00 -1.22 0.19 103.07 106.04 1cy4 h GLY 116 Ca -0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 1cy4 h GLY 116 CO 0.03 0.63 0.22 -2.09 0.00 0.00 0.00 176.54 175.33 1cy4 h GLU 117 N 0.76 1.05 -0.35 4.80 4.57 0.07 -1.48 114.58 124.01 1cy4 h GLU 117 Ca 0.15 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 1cy4 h GLU 117 Cb 0.49 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1cy4 h GLU 117 CO 0.02 0.91 0.07 0.00 -1.18 0.00 0.00 179.01 178.83 1cy4 h ALA 118 N 1.09 0.47 -0.88 2.92 0.00 -0.60 -0.59 119.26 121.67 1cy4 h ALA 118 Ca 0.22 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1cy4 h ALA 118 Cb 0.29 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1cy4 h ALA 118 CO -0.01 0.16 0.57 0.82 0.00 0.00 0.00 179.25 180.79 1cy4 h ILE 119 N 0.42 1.13 -0.68 0.00 2.04 -0.45 0.11 117.51 120.07 1cy4 h ILE 119 Ca 0.11 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1cy4 h ILE 119 Cb 0.34 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 1cy4 h ILE 119 CO 0.01 0.20 0.26 0.00 0.00 0.00 0.00 178.15 178.62 1cy4 h ALA 120 N 1.38 1.19 -0.20 1.87 0.00 -0.91 -1.75 119.26 120.83 1cy4 h ALA 120 Ca 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1cy4 h ALA 120 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1cy4 h ALA 120 CO -0.13 0.59 0.04 2.35 0.00 0.00 0.00 179.25 182.10 1cy4 h TRP 121 N 0.98 0.34 -0.95 0.00 7.01 0.38 -2.07 115.95 121.64 1cy4 h TRP 121 Ca 0.23 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1cy4 h TRP 121 Cb 0.20 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.11 1cy4 h TRP 121 CO 0.02 0.46 0.63 0.45 -2.79 0.00 0.00 178.44 177.20 1cy4 h HIS 122 N 0.13 1.17 -0.15 2.65 3.86 -0.55 -0.92 115.15 121.34 1cy4 h HIS 122 Ca 0.06 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1cy4 h HIS 122 Cb 0.29 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1cy4 h HIS 122 CO 0.01 0.70 0.08 -0.07 0.86 0.00 0.00 177.93 179.51 1cy4 h LEU 123 N 1.23 0.20 -1.77 2.43 3.38 -1.14 -1.28 115.31 118.35 1cy4 h LEU 123 Ca 0.37 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1cy4 h LEU 123 Cb -0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1cy4 h LEU 123 CO -0.10 0.24 -0.16 -0.09 0.09 0.00 0.00 178.44 178.42 1cy4 h ARG 124 N 0.14 0.00 -0.00 1.13 2.43 -0.80 -1.37 114.38 115.91 1cy4 h ARG 124 Ca 0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1cy4 h ARG 124 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1cy4 h ARG 124 CO -0.01 0.16 -0.05 0.93 -1.51 0.00 0.00 179.97 179.49 1cy4 h GLU 125 N 0.00 0.04 -0.75 0.20 4.39 -0.84 -2.81 114.58 114.80 1cy4 h GLU 125 Ca -0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1cy4 h GLU 125 Cb 0.33 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1cy4 h GLU 125 CO 0.02 0.79 0.43 0.28 -1.16 0.00 0.00 179.01 179.37 1cy4 h VAL 126 N -0.70 1.22 0.00 3.13 2.07 -1.05 -2.79 116.25 118.13 1cy4 h VAL 126 Ca -0.01 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1cy4 h VAL 126 Cb 0.80 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1cy4 h VAL 126 CO 0.01 0.24 -0.03 0.40 0.02 0.00 0.00 177.57 178.21 1cy4 h ILE 127 N 1.03 0.06 -1.49 4.57 2.04 -1.37 -3.50 117.51 118.85 1cy4 h ILE 127 Ca 0.27 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1cy4 h ILE 127 Cb 0.00 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1cy4 h ILE 127 CO -0.05 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.74 1cy4 n GLY 128 N 0.76 -1.01 0.00 5.37 0.00 -1.05 -4.96 105.19 104.30 1cy4 n GLY 128 Ca 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1cy4 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cy4 n GLY 129 N 0.00 0.43 3.76 -0.02 0.00 -1.26 -4.94 105.19 103.15 1cy4 n GLY 129 Ca 0.00 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 1cy4 n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cy4 s ASP 130 N -1.04 6.64 0.61 1.61 1.01 -1.26 -4.90 116.67 119.35 1cy4 s ASP 130 Ca 0.00 2.73 0.33 0.00 0.71 0.00 0.00 52.55 56.32 1cy4 s ASP 130 Cb 0.00 -2.64 1.97 0.00 1.01 0.00 0.00 42.92 43.27 1cy4 s ASP 130 CO 0.00 -0.68 2.29 0.44 0.21 0.00 0.00 175.17 177.43 1cy4 h ASP 131 N 4.29 0.00 0.92 0.27 5.19 -1.96 0.86 116.42 125.99 1cy4 h ASP 131 Ca -0.47 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1cy4 h ASP 131 Cb 1.22 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.73 1cy4 h ASP 131 CO 0.72 0.00 -0.01 0.00 -3.12 0.00 0.00 179.24 176.83 1cy4 h ALA 132 N 2.00 1.01 0.00 3.45 0.00 -2.02 -2.28 119.26 121.41 1cy4 h ALA 132 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cy4 h ALA 132 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1cy4 h ALA 132 CO 0.00 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1cy4 n ARG 133 N -3.11 0.21 -4.08 0.00 5.12 0.30 -4.84 116.66 110.26 1cy4 n ARG 133 Ca 0.00 0.32 -0.30 0.00 -1.93 0.00 0.00 57.85 55.94 1cy4 n ARG 133 Cb 0.29 -1.83 -0.07 0.00 -1.16 0.00 0.00 32.46 29.69 1cy4 n ARG 133 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1cy4 s TYR 134 N -3.21 3.12 0.02 -1.55 2.02 -0.86 -0.29 117.35 116.60 1cy4 s TYR 134 Ca 0.07 0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 1cy4 s TYR 134 Cb 0.11 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 1cy4 s TYR 134 CO 0.48 0.51 -0.04 -1.12 -1.57 0.00 0.00 175.55 173.81 1cy4 s SER 135 N -2.32 0.35 -0.36 2.29 0.01 -0.31 -4.92 113.70 108.43 1cy4 s SER 135 Ca 0.28 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 57.05 1cy4 s SER 135 Cb -0.12 0.09 0.11 0.00 0.21 0.00 0.00 66.02 66.31 1cy4 s SER 135 CO 0.20 -0.29 0.10 -0.60 0.41 0.00 0.00 173.24 173.06 1cy4 s ARG 136 N -1.52 1.37 0.50 12.44 3.00 -0.22 -0.47 118.95 134.05 1cy4 s ARG 136 Ca -0.15 -1.81 -0.18 0.00 -1.00 0.00 0.00 55.73 52.59 1cy4 s ARG 136 Cb -0.10 -2.91 -0.08 0.00 0.00 0.00 0.00 34.95 31.86 1cy4 s ARG 136 CO -0.01 -0.98 1.01 0.14 0.00 0.00 0.00 175.30 175.45 1cy4 s VAL 137 N 0.87 4.15 -0.02 7.11 -7.23 -0.71 -3.46 120.40 121.11 1cy4 s VAL 137 Ca 0.12 1.18 0.01 0.00 -1.81 0.00 0.00 61.98 61.48 1cy4 s VAL 137 Cb -0.20 -3.55 0.01 0.00 0.56 0.00 0.00 36.38 33.20 1cy4 s VAL 137 CO -0.10 -0.44 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.51 1cy4 s VAL 138 N -2.31 0.48 -0.16 1.32 1.01 -1.26 -4.61 120.40 114.86 1cy4 s VAL 138 Ca 0.63 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 1cy4 s VAL 138 Cb -0.13 -0.45 0.06 0.00 0.00 0.00 0.00 36.38 35.86 1cy4 s VAL 138 CO 0.25 0.17 0.63 0.72 0.00 0.00 0.00 175.10 176.88 1cy4 s PHE 139 N 0.36 -0.65 -0.33 5.22 -0.12 -1.26 -4.65 117.98 116.55 1cy4 s PHE 139 Ca -0.04 1.41 0.16 0.00 -0.05 0.00 0.00 56.93 58.41 1cy4 s PHE 139 Cb -0.08 0.29 0.58 0.00 -0.63 0.00 0.00 43.02 43.18 1cy4 s PHE 139 CO -0.00 -0.44 1.49 0.27 -0.05 0.00 0.00 175.22 176.48 1cy4 n ASN 140 N 1.98 4.22 -3.59 1.98 0.23 -1.26 -4.59 115.26 114.22 1cy4 n ASN 140 Ca -0.16 -2.87 -0.09 0.00 -0.53 0.00 0.00 54.58 50.93 1cy4 n ASN 140 Cb 0.56 -0.54 -0.05 0.00 -2.08 0.00 0.00 39.78 37.67 1cy4 n ASN 140 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1cy4 s GLU 141 N -2.57 0.48 -0.82 -3.83 -1.05 -1.26 0.02 118.70 109.66 1cy4 s GLU 141 Ca 0.43 0.14 -0.09 0.00 -0.15 0.00 0.00 54.97 55.30 1cy4 s GLU 141 Cb 0.33 0.23 0.21 0.00 -0.44 0.00 0.00 34.13 34.46 1cy4 s GLU 141 CO 0.12 -0.14 0.73 0.42 0.95 0.00 0.00 175.26 177.33 1cy4 s ILE 142 N -1.01 5.01 0.32 1.83 1.01 -1.26 -4.64 121.20 122.46 1cy4 s ILE 142 Ca 0.01 -2.91 0.04 0.00 0.00 0.00 0.00 60.65 57.79 1cy4 s ILE 142 Cb -0.01 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 1cy4 s ILE 142 CO -0.01 -1.02 0.05 0.42 0.00 0.00 0.00 174.94 174.38 1cy4 s THR 143 N -0.28 1.23 0.08 2.92 -4.23 -1.26 -4.59 115.64 109.51 1cy4 s THR 143 Ca 0.21 -2.01 -0.28 0.00 -1.18 0.00 0.00 61.69 58.43 1cy4 s THR 143 Cb -0.12 -2.76 -0.16 0.00 1.34 0.00 0.00 72.50 70.80 1cy4 s THR 143 CO -0.08 -0.03 1.67 0.50 -0.54 0.00 0.00 174.62 176.14 1cy4 h LYS 144 N 2.13 -0.48 -0.79 3.99 3.64 -1.95 -0.05 116.57 123.06 1cy4 h LYS 144 Ca -0.41 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1cy4 h LYS 144 Cb 1.24 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 1cy4 h LYS 144 CO 0.70 -0.32 0.31 -0.91 -2.27 0.00 0.00 179.45 176.96 1cy4 h ASN 145 N -0.49 1.10 -0.31 4.20 4.21 -1.97 -2.17 115.58 120.15 1cy4 h ASN 145 Ca -0.04 -0.17 -0.15 0.00 1.21 0.00 0.00 56.30 57.15 1cy4 h ASN 145 Cb 0.40 -0.29 -0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1cy4 h ASN 145 CO 0.05 0.98 -0.38 0.00 -1.29 0.00 0.00 177.43 176.78 1cy4 h ALA 146 N 1.18 0.46 0.00 -0.83 0.00 -1.85 -2.80 119.26 115.42 1cy4 h ALA 146 Ca 0.26 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1cy4 h ALA 146 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1cy4 h ALA 146 CO -0.02 0.55 -0.32 0.82 0.00 0.00 0.00 179.25 180.28 1cy4 h ILE 147 N 0.57 1.02 0.27 0.00 1.08 -0.94 -2.14 117.51 117.37 1cy4 h ILE 147 Ca 0.04 -1.17 -0.01 0.00 -0.39 0.00 0.00 64.86 63.33 1cy4 h ILE 147 Cb 0.97 1.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 1cy4 h ILE 147 CO 0.09 0.31 -0.13 -0.09 -0.69 0.00 0.00 178.15 177.64 1cy4 h ARG 148 N 0.00 -0.36 0.00 2.37 2.43 -1.25 -2.49 114.38 115.09 1cy4 h ARG 148 Ca -0.00 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1cy4 h ARG 148 Cb 0.65 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1cy4 h ARG 148 CO 0.04 -0.02 -0.09 1.96 -1.51 0.00 0.00 179.97 180.35 1cy4 h GLN 149 N -0.76 0.00 -0.19 0.20 4.20 -1.47 0.78 115.11 117.87 1cy4 h GLN 149 Ca -0.04 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1cy4 h GLN 149 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1cy4 h GLN 149 CO 0.06 0.09 0.01 0.00 -0.67 0.00 0.00 178.83 178.32 1cy4 h ALA 150 N 1.91 0.26 -0.00 3.87 0.00 -1.28 -2.75 119.26 121.27 1cy4 h ALA 150 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1cy4 h ALA 150 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1cy4 h ALA 150 CO 0.01 -0.04 -0.38 1.19 0.00 0.00 0.00 179.25 180.03 1cy4 n PHE 151 N -4.72 0.00 0.09 0.00 3.01 -0.95 -3.61 117.46 111.28 1cy4 n PHE 151 Ca -0.05 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.31 1cy4 n PHE 151 Cb 0.22 -0.29 -0.07 0.00 -0.01 0.00 0.00 39.48 39.33 1cy4 n PHE 151 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1cy4 h ASN 152 N 0.10 -0.25 -2.83 4.37 -1.24 -0.73 -3.37 115.58 111.64 1cy4 h ASN 152 Ca 0.00 -0.27 -0.65 0.00 0.71 0.00 0.00 56.30 56.08 1cy4 h ASN 152 Cb 0.49 0.06 -0.39 0.00 0.73 0.00 0.00 38.32 39.22 1cy4 h ASN 152 CO 0.00 0.26 -0.32 0.29 -1.29 0.00 0.00 177.43 176.38 1cy4 n LYS 153 N -4.98 2.55 -2.55 6.67 4.76 -1.05 -5.08 118.16 118.47 1cy4 n LYS 153 Ca -0.08 -4.56 -0.35 0.00 -2.87 0.00 0.00 58.31 50.46 1cy4 n LYS 153 Cb 0.26 -2.33 -0.04 0.00 -1.84 0.00 0.00 35.03 31.07 1cy4 n LYS 153 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1cy4 s PRO 154 N -1.93 3.91 0.00 1.97 0.04 -1.24 -4.87 135.00 132.88 1cy4 s PRO 154 Ca 0.31 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1cy4 s PRO 154 Cb 0.02 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1cy4 s PRO 154 CO -0.08 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1cy4 n GLY 155 N -0.11 3.60 3.75 0.56 0.00 -1.22 -4.94 105.19 106.83 1cy4 n GLY 155 Ca 0.08 -2.14 -0.23 0.00 0.00 0.00 0.00 46.02 43.73 1cy4 n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cy4 s GLU 156 N -1.12 2.69 0.14 1.61 0.41 -1.26 -1.05 118.70 120.12 1cy4 s GLU 156 Ca 0.00 -1.15 -0.31 0.00 -0.41 0.00 0.00 54.97 53.09 1cy4 s GLU 156 Cb 0.00 -2.43 -0.10 0.00 -1.78 0.00 0.00 34.13 29.82 1cy4 s GLU 156 CO 0.00 0.40 1.63 -1.17 -0.49 0.00 0.00 175.26 175.64 1cy4 s LEU 157 N -3.66 4.37 -0.63 1.80 2.96 -1.26 -4.69 118.68 117.57 1cy4 s LEU 157 Ca 0.32 2.63 -0.21 0.00 -0.22 0.00 0.00 54.13 56.64 1cy4 s LEU 157 Cb -0.08 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.11 1cy4 s LEU 157 CO 0.23 -0.88 0.88 0.21 -1.32 0.00 0.00 176.35 175.47 1cy4 s ASN 158 N 1.62 6.18 0.59 3.68 3.84 -1.26 -4.92 114.94 124.68 1cy4 s ASN 158 Ca 0.73 -1.08 0.31 0.00 0.21 0.00 0.00 52.86 53.02 1cy4 s ASN 158 Cb -0.44 -2.38 1.83 0.00 -0.55 0.00 0.00 41.25 39.71 1cy4 s ASN 158 CO 0.32 -1.32 2.24 -0.29 -2.79 0.00 0.00 177.10 175.26 1cy4 h ILE 159 N 5.96 0.48 -0.07 -5.21 6.09 -1.98 -2.28 117.51 120.50 1cy4 h ILE 159 Ca -0.29 -0.08 -0.16 0.00 -1.37 0.00 0.00 64.86 62.96 1cy4 h ILE 159 Cb 1.08 1.05 -0.01 0.00 0.47 0.00 0.00 36.82 39.41 1cy4 h ILE 159 CO 1.15 0.02 -0.67 0.44 -3.07 0.00 0.00 178.15 176.02 1cy4 h ASP 160 N 0.00 0.33 0.34 2.19 3.32 -1.86 0.30 116.42 121.04 1cy4 h ASP 160 Ca -0.00 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 56.69 1cy4 h ASP 160 Cb 0.05 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1cy4 h ASP 160 CO 0.00 0.90 -0.66 0.03 -1.72 0.00 0.00 179.24 177.79 1cy4 h ARG 161 N 0.20 0.29 -0.15 3.56 3.08 -1.60 -1.36 114.38 118.39 1cy4 h ARG 161 Ca -0.02 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 1cy4 h ARG 161 Cb 1.21 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1cy4 h ARG 161 CO 0.11 0.84 -0.03 0.28 -1.07 0.00 0.00 179.97 180.10 1cy4 h VAL 162 N 0.21 1.29 -0.41 2.04 2.07 -1.28 -1.83 116.25 118.34 1cy4 h VAL 162 Ca -0.01 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1cy4 h VAL 162 Cb 1.19 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 1cy4 h VAL 162 CO 0.11 0.29 0.27 0.78 0.02 0.00 0.00 177.57 179.03 1cy4 h ASN 163 N -0.00 0.47 -0.09 0.57 2.35 -0.81 -0.92 115.58 117.14 1cy4 h ASN 163 Ca 0.04 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1cy4 h ASN 163 Cb 0.46 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 1cy4 h ASN 163 CO 0.01 0.34 -0.05 0.00 -1.65 0.00 0.00 177.43 176.09 1cy4 h ALA 164 N 1.74 0.13 -0.80 -0.83 0.00 -1.06 -1.43 119.26 117.01 1cy4 h ALA 164 Ca 0.15 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1cy4 h ALA 164 Cb -0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1cy4 h ALA 164 CO -0.03 -0.10 0.52 0.37 0.00 0.00 0.00 179.25 180.01 1cy4 h GLN 165 N -0.17 0.99 -0.28 0.00 5.75 -0.74 -2.10 115.11 118.56 1cy4 h GLN 165 Ca 0.02 -0.06 -0.18 0.00 -0.15 0.00 0.00 58.65 58.28 1cy4 h GLN 165 Cb 0.50 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 1cy4 h GLN 165 CO 0.01 0.65 -0.52 1.96 -2.65 0.00 0.00 178.83 178.28 1cy4 h GLN 166 N 1.02 0.81 -0.55 1.69 1.08 -1.16 -2.18 115.11 115.82 1cy4 h GLN 166 Ca 0.31 -0.50 0.06 0.00 -1.45 0.00 0.00 58.65 57.07 1cy4 h GLN 166 Cb -0.02 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 1cy4 h GLN 166 CO -0.10 1.13 0.26 0.00 -0.95 0.00 0.00 178.83 179.17 1cy4 h ALA 167 N 0.77 0.71 -0.01 3.87 0.00 -0.95 0.48 119.26 124.13 1cy4 h ALA 167 Ca 0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1cy4 h ALA 167 Cb 1.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1cy4 h ALA 167 CO 0.11 -0.11 -0.04 -0.09 0.00 0.00 0.00 179.25 179.12 1cy4 h ARG 168 N 0.48 -0.07 -0.82 0.00 2.43 -1.26 -1.23 114.38 113.90 1cy4 h ARG 168 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1cy4 h ARG 168 Cb 0.22 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1cy4 h ARG 168 CO -0.21 -0.05 0.52 0.00 -1.51 0.00 0.00 179.97 178.73 1cy4 h ARG 169 N -0.07 1.10 0.13 0.20 2.47 -0.69 -2.04 114.38 115.48 1cy4 h ARG 169 Ca 0.02 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 1cy4 h ARG 169 Cb 0.10 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 1cy4 h ARG 169 CO -0.05 0.75 -0.06 0.74 0.56 0.00 0.00 179.97 181.91 1cy4 h PHE 170 N 1.13 -0.16 -0.31 3.04 -1.00 0.44 -1.72 116.94 118.36 1cy4 h PHE 170 Ca 0.30 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.02 1cy4 h PHE 170 Cb -0.09 0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1cy4 h PHE 170 CO 0.00 0.13 -0.06 0.00 -1.61 0.00 0.00 178.31 176.77 1cy4 h MET 171 N -0.45 0.50 -0.06 1.51 -0.00 -1.16 -0.77 114.93 114.49 1cy4 h MET 171 Ca -0.02 -0.12 -0.00 0.00 -0.00 0.00 0.00 59.70 59.56 1cy4 h MET 171 Cb 0.36 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 31.89 1cy4 h MET 171 CO 0.03 0.57 0.04 -0.44 -0.00 0.00 0.00 176.91 177.11 1cy4 h ASP 172 N 0.47 0.08 -0.44 -0.10 5.19 -1.33 -1.41 116.42 118.88 1cy4 h ASP 172 Ca 0.10 -0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.50 1cy4 h ASP 172 Cb 0.40 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.84 1cy4 h ASP 172 CO 0.02 0.11 0.18 -0.09 -3.12 0.00 0.00 179.24 176.34 1cy4 h ARG 173 N 0.04 0.36 -0.30 3.56 9.65 -0.86 -1.20 114.38 125.62 1cy4 h ARG 173 Ca 0.02 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 1cy4 h ARG 173 Cb 0.05 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 1cy4 h ARG 173 CO -0.00 0.24 0.15 0.28 2.80 0.00 0.00 179.97 183.43 1cy4 h VAL 174 N 0.37 0.99 -0.09 0.20 2.07 -0.85 -0.76 116.25 118.18 1cy4 h VAL 174 Ca 0.20 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1cy4 h VAL 174 Cb 0.17 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1cy4 h VAL 174 CO -0.18 0.06 0.05 0.58 0.02 0.00 0.00 177.57 178.10 1cy4 h VAL 175 N 0.31 1.06 0.46 2.57 2.07 -0.98 -1.94 116.25 119.82 1cy4 h VAL 175 Ca 0.12 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1cy4 h VAL 175 Cb 0.04 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1cy4 h VAL 175 CO -0.08 0.06 -0.24 1.23 0.02 0.00 0.00 177.57 178.55 1cy4 h GLY 176 N 0.08 -0.68 2.00 2.17 0.00 -0.95 -0.64 103.07 105.05 1cy4 h GLY 176 Ca 0.03 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1cy4 h GLY 176 CO -0.01 -0.25 0.00 -1.72 0.00 0.00 0.00 176.54 174.56 1cy4 n TYR 177 N -5.38 0.66 -0.07 5.60 4.02 -0.32 -2.71 117.16 118.96 1cy4 n TYR 177 Ca -0.11 0.21 -0.08 0.00 -0.01 0.00 0.00 57.90 57.91 1cy4 n TYR 177 Cb 0.28 -0.85 -0.11 0.00 -0.02 0.00 0.00 39.34 38.65 1cy4 n TYR 177 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1cy4 n MET 178 N -2.06 1.55 0.13 -0.72 2.81 -0.73 -4.45 117.12 113.66 1cy4 n MET 178 Ca 0.05 0.01 -0.22 0.00 -1.81 0.00 0.00 57.70 55.72 1cy4 n MET 178 Cb 0.34 -1.36 -0.15 0.00 -0.71 0.00 0.00 33.22 31.34 1cy4 n MET 178 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1cy4 h VAL 179 N 0.00 1.28 -0.49 2.03 2.07 -1.23 -3.37 116.25 116.54 1cy4 h VAL 179 Ca -0.38 -2.76 0.09 0.00 0.82 0.00 0.00 66.70 64.47 1cy4 h VAL 179 Cb 1.82 2.98 -0.08 0.00 -1.52 0.00 0.00 31.29 34.49 1cy4 h VAL 179 CO 0.01 0.83 0.03 0.28 0.02 0.00 0.00 177.57 178.75 1cy4 h SER 180 N 0.12 -0.14 -0.71 0.57 0.02 -1.66 -1.63 113.55 110.12 1cy4 h SER 180 Ca -0.24 0.11 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1cy4 h SER 180 Cb 2.12 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 64.79 1cy4 h SER 180 CO 0.25 -0.04 0.47 -0.65 -1.14 0.00 0.00 176.83 175.72 1cy4 h PRO 181 N 0.15 0.75 -0.52 3.45 0.11 -1.78 -1.21 132.00 132.96 1cy4 h PRO 181 Ca 0.25 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.21 1cy4 h PRO 181 Cb 0.36 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1cy4 h PRO 181 CO -0.38 0.50 -0.08 1.25 -0.21 0.00 0.00 178.00 179.08 1cy4 h LEU 182 N 0.77 0.97 -1.14 2.35 5.85 -1.48 -2.82 115.31 119.82 1cy4 h LEU 182 Ca 0.30 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1cy4 h LEU 182 Cb 0.21 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1cy4 h LEU 182 CO -0.10 1.08 0.17 -0.07 -0.34 0.00 0.00 178.44 179.19 1cy4 h LEU 183 N 0.84 0.71 -0.49 2.25 3.38 -0.62 -0.48 115.31 120.91 1cy4 h LEU 183 Ca 0.14 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1cy4 h LEU 183 Cb 0.63 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1cy4 h LEU 183 CO 0.04 0.67 0.02 -0.50 0.09 0.00 0.00 178.44 178.77 1cy4 h TRP 184 N 0.76 0.92 -0.30 1.13 6.55 -1.19 1.09 115.95 124.91 1cy4 h TRP 184 Ca 0.18 -0.15 -0.15 0.00 0.95 0.00 0.00 58.89 59.71 1cy4 h TRP 184 Cb 0.21 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.26 1cy4 h TRP 184 CO 0.01 0.87 -0.42 -0.22 -1.05 0.00 0.00 178.44 177.62 1cy4 h LYS 185 N 0.72 0.75 0.04 0.49 3.64 -1.25 -3.14 116.57 117.82 1cy4 h LYS 185 Ca 0.14 -0.40 -0.33 0.00 -1.27 0.00 0.00 60.65 58.79 1cy4 h LYS 185 Cb 0.48 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1cy4 h LYS 185 CO 0.02 1.03 -1.93 1.63 -2.27 0.00 0.00 179.45 177.92 1cy4 n LYS 186 N -4.03 0.68 0.03 1.90 4.76 -0.21 -4.86 118.16 116.43 1cy4 n LYS 186 Ca -0.02 0.24 -0.01 0.00 -2.87 0.00 0.00 58.31 55.65 1cy4 n LYS 186 Cb 0.55 -1.72 -0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1cy4 n LYS 186 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1cy4 n ILE 187 N -3.17 0.92 -3.62 -0.18 -0.00 0.37 -2.48 119.36 111.19 1cy4 n ILE 187 Ca -0.26 0.28 -0.05 0.00 -0.00 0.00 0.00 62.75 62.72 1cy4 n ILE 187 Cb 1.06 -1.60 -0.05 0.00 -0.00 0.00 0.00 39.64 39.05 1cy4 n ILE 187 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1cy4 s ALA 188 N -2.04 -2.07 0.61 -1.39 0.00 -0.53 -4.82 121.76 111.51 1cy4 s ALA 188 Ca -0.02 1.77 -0.18 0.00 0.00 0.00 0.00 51.96 53.53 1cy4 s ALA 188 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1cy4 s ALA 188 CO 0.02 -0.24 1.22 1.03 0.00 0.00 0.00 175.76 177.80 1cy4 s ARG 189 N -0.78 2.87 0.00 0.00 3.00 -1.25 -3.36 118.95 119.43 1cy4 s ARG 189 Ca 0.05 1.85 0.00 0.00 0.00 0.00 0.00 55.73 57.64 1cy4 s ARG 189 Cb -0.02 -1.91 0.00 0.00 0.00 0.00 0.00 34.95 33.02 1cy4 s ARG 189 CO -0.06 -1.29 0.00 0.41 0.00 0.00 0.00 175.30 174.35 1cy4 n GLY 190 N 0.55 2.47 3.74 -3.53 0.00 -1.26 -5.00 105.19 102.16 1cy4 n GLY 190 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1cy4 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cy4 s LEU 191 N 0.00 2.92 0.12 0.99 1.43 -1.21 -5.06 118.68 117.87 1cy4 s LEU 191 Ca 0.00 1.87 0.04 0.00 -1.03 0.00 0.00 54.13 55.01 1cy4 s LEU 191 Cb 0.00 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 1cy4 s LEU 191 CO 0.00 -2.31 -0.09 -0.44 0.23 0.00 0.00 176.35 173.73 1cy4 s SER 192 N -3.25 1.55 0.05 2.29 0.01 -1.26 -4.86 113.70 108.23 1cy4 s SER 192 Ca 0.62 -0.96 0.04 0.00 1.31 0.00 0.00 55.95 56.96 1cy4 s SER 192 Cb -0.18 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 1cy4 s SER 192 CO 0.57 -0.35 -0.12 0.00 0.41 0.00 0.00 173.24 173.75 1cy4 s ALA 193 N -3.19 0.94 -0.04 1.44 0.00 -1.26 -4.96 121.76 114.69 1cy4 s ALA 193 Ca 0.13 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1cy4 s ALA 193 Cb 0.02 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1cy4 s ALA 193 CO -0.01 0.12 0.07 0.20 0.00 0.00 0.00 175.76 176.15 1cy4 s GLY 194 N -1.40 0.05 0.14 0.00 0.00 -1.26 -4.18 107.32 100.67 1cy4 s GLY 194 Ca -0.03 0.45 -0.33 0.00 0.00 0.00 0.00 44.72 44.82 1cy4 s GLY 194 CO 0.01 0.82 1.55 -0.09 0.00 0.00 0.00 173.10 175.39 1cy4 h ARG 195 N 7.29 -0.31 0.00 2.90 2.43 -1.91 0.18 114.38 124.96 1cy4 h ARG 195 Ca -0.45 0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.43 1cy4 h ARG 195 Cb 1.13 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.69 1cy4 h ARG 195 CO 0.46 -0.21 -1.92 0.28 -1.51 0.00 0.00 179.97 177.07 1cy4 n VAL 196 N -5.35 1.54 -0.30 0.20 0.31 -1.26 -4.17 118.33 109.30 1cy4 n VAL 196 Ca -0.03 -0.81 0.06 0.00 -0.01 0.00 0.00 64.34 63.55 1cy4 n VAL 196 Cb 0.33 -0.87 0.21 0.00 -0.91 0.00 0.00 33.84 32.60 1cy4 n VAL 196 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1cy4 h GLN 197 N 0.00 0.67 -0.34 5.55 7.50 -1.86 0.85 115.11 127.48 1cy4 h GLN 197 Ca -0.37 -0.04 -0.09 0.00 0.50 0.00 0.00 58.65 58.65 1cy4 h GLN 197 Cb 2.09 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 29.45 1cy4 h GLN 197 CO 0.06 0.45 -0.16 0.77 -1.50 0.00 0.00 178.83 178.45 1cy4 h SER 198 N 0.69 0.60 -0.40 1.46 0.02 -0.82 -0.97 113.55 114.14 1cy4 h SER 198 Ca 0.45 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 61.07 1cy4 h SER 198 Cb 0.56 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1cy4 h SER 198 CO -0.32 0.78 -0.29 0.58 -1.14 0.00 0.00 176.83 176.44 1cy4 h VAL 199 N 0.55 1.27 -0.47 2.27 2.07 -1.16 -1.29 116.25 119.50 1cy4 h VAL 199 Ca 0.09 -1.46 -0.10 0.00 0.82 0.00 0.00 66.70 66.05 1cy4 h VAL 199 Cb 0.60 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1cy4 h VAL 199 CO 0.04 0.49 -0.10 0.00 0.02 0.00 0.00 177.57 178.03 1cy4 h ALA 200 N 0.87 0.95 -0.20 1.67 0.00 -0.66 -2.40 119.26 119.49 1cy4 h ALA 200 Ca 0.09 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1cy4 h ALA 200 Cb 0.87 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1cy4 h ALA 200 CO 0.08 0.62 -0.22 0.28 0.00 0.00 0.00 179.25 180.01 1cy4 h VAL 201 N 0.76 1.24 -0.53 0.00 2.07 -0.93 -2.87 116.25 115.99 1cy4 h VAL 201 Ca 0.13 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1cy4 h VAL 201 Cb 0.60 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1cy4 h VAL 201 CO 0.04 0.35 0.29 -0.09 0.02 0.00 0.00 177.57 178.18 1cy4 h ARG 202 N 0.32 0.74 -0.85 1.57 2.43 -0.73 -0.78 114.38 117.07 1cy4 h ARG 202 Ca 0.05 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1cy4 h ARG 202 Cb 0.56 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 1cy4 h ARG 202 CO 0.04 0.58 0.54 -0.07 -1.51 0.00 0.00 179.97 179.55 1cy4 h LEU 203 N 0.71 0.87 -0.54 3.80 3.38 -1.27 0.52 115.31 122.78 1cy4 h LEU 203 Ca 0.19 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 1cy4 h LEU 203 Cb 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1cy4 h LEU 203 CO -0.03 0.58 -0.21 0.58 0.09 0.00 0.00 178.44 179.45 1cy4 h VAL 204 N 1.02 1.27 -0.67 1.22 2.07 -1.41 -1.82 116.25 117.93 1cy4 h VAL 204 Ca 0.36 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 1cy4 h VAL 204 Cb 0.09 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1cy4 h VAL 204 CO -0.14 0.47 0.24 0.58 0.02 0.00 0.00 177.57 178.73 1cy4 h VAL 205 N 0.83 1.25 -0.54 2.57 2.07 -0.34 0.92 116.25 123.01 1cy4 h VAL 205 Ca 0.11 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.70 1cy4 h VAL 205 Cb 0.78 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1cy4 h VAL 205 CO 0.06 0.32 -0.12 -0.33 0.02 0.00 0.00 177.57 177.52 1cy4 h GLU 206 N 0.96 1.03 -0.70 1.57 5.08 -0.81 -1.75 114.58 119.96 1cy4 h GLU 206 Ca 0.22 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1cy4 h GLU 206 Cb 0.26 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1cy4 h GLU 206 CO -0.01 1.08 0.19 -0.09 -1.00 0.00 0.00 179.01 179.17 1cy4 h ARG 207 N 0.91 1.10 0.18 2.33 9.65 -1.01 -1.08 114.38 126.47 1cy4 h ARG 207 Ca 0.14 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1cy4 h ARG 207 Cb 0.69 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1cy4 h ARG 207 CO 0.05 0.95 -0.13 1.49 2.80 0.00 0.00 179.97 185.14 1cy4 h GLU 208 N 1.05 -0.30 -0.54 0.20 4.57 -0.59 -2.21 114.58 116.76 1cy4 h GLU 208 Ca 0.22 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1cy4 h GLU 208 Cb 0.33 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 1cy4 h GLU 208 CO -0.00 -0.20 0.34 0.00 -1.18 0.00 0.00 179.01 177.97 1cy4 h ARG 209 N -0.31 0.72 0.19 1.92 3.08 -1.12 -0.96 114.38 117.90 1cy4 h ARG 209 Ca -0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1cy4 h ARG 209 Cb 0.27 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1cy4 h ARG 209 CO 0.00 0.49 -0.09 0.93 -1.07 0.00 0.00 179.97 180.23 1cy4 h GLU 210 N 0.73 -0.25 -0.78 0.04 5.08 -0.85 -2.19 114.58 116.37 1cy4 h GLU 210 Ca 0.20 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1cy4 h GLU 210 Cb -0.06 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1cy4 h GLU 210 CO -0.04 -0.14 0.50 0.82 -1.00 0.00 0.00 179.01 179.15 1cy4 h ILE 211 N -0.29 1.13 -0.24 3.13 2.04 -0.97 -1.26 117.51 121.05 1cy4 h ILE 211 Ca -0.03 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 1cy4 h ILE 211 Cb 0.22 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1cy4 h ILE 211 CO 0.04 0.18 -0.13 0.50 0.00 0.00 0.00 178.15 178.75 1cy4 h LYS 212 N 0.98 0.39 -0.00 2.37 1.63 -1.02 -2.98 116.57 117.95 1cy4 h LYS 212 Ca 0.31 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1cy4 h LYS 212 Cb -0.00 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1cy4 h LYS 212 CO -0.11 0.52 -0.55 0.00 -3.45 0.00 0.00 179.45 175.87 1cy4 n ALA 213 N -2.48 3.67 -1.77 5.00 0.00 -0.84 -4.95 120.51 119.14 1cy4 n ALA 213 Ca 0.00 -0.39 -0.40 0.00 0.00 0.00 0.00 53.44 52.65 1cy4 n ALA 213 Cb 0.30 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1cy4 n ALA 213 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1cy4 s PHE 214 N -2.96 2.62 -0.29 0.00 5.36 -0.51 -5.00 117.98 117.20 1cy4 s PHE 214 Ca 0.12 1.25 0.02 0.00 -0.96 0.00 0.00 56.93 57.35 1cy4 s PHE 214 Cb 0.17 -3.92 0.08 0.00 -0.34 0.00 0.00 43.02 39.01 1cy4 s PHE 214 CO 0.71 -2.76 -0.01 0.08 -1.46 0.00 0.00 175.22 171.78 1cy4 s VAL 215 N -1.16 1.79 0.65 3.12 1.01 -1.26 -5.05 120.40 119.49 1cy4 s VAL 215 Ca 0.55 -1.70 -0.17 0.00 0.00 0.00 0.00 61.98 60.66 1cy4 s VAL 215 Cb -0.44 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.71 1cy4 s VAL 215 CO 0.59 -0.34 0.44 -2.65 0.00 0.00 0.00 175.10 173.14 1cy4 n PRO 216 N 4.52 0.37 -4.59 2.72 -0.02 -1.26 -5.00 135.00 131.72 1cy4 n PRO 216 Ca -0.06 0.15 -0.23 0.00 -2.02 0.00 0.00 63.50 61.35 1cy4 n PRO 216 Cb 0.43 -1.69 -0.16 0.00 -0.02 0.00 0.00 33.50 32.06 1cy4 n PRO 216 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1cy4 s GLU 217 N -2.32 1.36 0.16 -0.52 2.02 -1.26 -4.91 118.70 113.22 1cy4 s GLU 217 Ca 0.66 -0.44 -0.28 0.00 0.02 0.00 0.00 54.97 54.92 1cy4 s GLU 217 Cb -0.40 -1.21 -0.07 0.00 0.10 0.00 0.00 34.13 32.55 1cy4 s GLU 217 CO 0.58 0.16 0.88 -2.00 0.02 0.00 0.00 175.26 174.90 1cy4 s GLU 218 N 0.16 4.69 -0.24 1.61 2.12 -1.26 -1.15 118.70 124.63 1cy4 s GLU 218 Ca -0.04 1.33 -0.26 0.00 0.36 0.00 0.00 54.97 56.36 1cy4 s GLU 218 Cb -0.10 -3.32 0.07 0.00 0.26 0.00 0.00 34.13 31.04 1cy4 s GLU 218 CO 0.01 0.41 0.71 -0.59 -0.54 0.00 0.00 175.26 175.26 1cy4 s PHE 219 N -0.67 -0.76 0.36 5.30 -0.71 -1.11 -4.69 117.98 115.70 1cy4 s PHE 219 Ca 0.41 1.80 0.08 0.00 -1.04 0.00 0.00 56.93 58.17 1cy4 s PHE 219 Cb -0.24 0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 41.83 1cy4 s PHE 219 CO 0.29 -0.41 0.26 -1.58 -1.34 0.00 0.00 175.22 172.43 1cy4 s TRP 220 N 0.15 2.77 0.05 3.49 0.52 -0.14 -1.96 118.94 123.81 1cy4 s TRP 220 Ca -0.02 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 55.70 1cy4 s TRP 220 Cb -0.04 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.39 1cy4 s TRP 220 CO 0.02 0.16 -0.04 -1.21 0.02 0.00 0.00 176.95 175.90 1cy4 s GLU 221 N -3.97 0.56 -0.03 4.98 2.02 -0.90 -4.32 118.70 117.04 1cy4 s GLU 221 Ca 0.42 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 54.35 1cy4 s GLU 221 Cb -0.03 0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.32 1cy4 s GLU 221 CO 0.25 -0.07 -0.00 0.08 0.02 0.00 0.00 175.26 175.54 1cy4 s VAL 222 N -3.13 0.23 0.19 2.63 1.01 -1.26 -1.80 120.40 118.26 1cy4 s VAL 222 Ca 0.01 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.15 1cy4 s VAL 222 Cb 0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1cy4 s VAL 222 CO -0.06 0.16 -0.09 -1.81 0.00 0.00 0.00 175.10 173.30 1cy4 s ASP 223 N 1.08 4.28 -0.05 3.32 1.11 -0.55 -1.18 116.67 124.68 1cy4 s ASP 223 Ca -0.09 -0.58 0.01 0.00 0.18 0.00 0.00 52.55 52.07 1cy4 s ASP 223 Cb -0.14 -0.73 0.02 0.00 1.07 0.00 0.00 42.92 43.14 1cy4 s ASP 223 CO -0.02 0.10 -0.07 0.00 1.18 0.00 0.00 175.17 176.36 1cy4 s ALA 224 N -1.75 0.85 -0.31 5.23 0.00 0.86 -1.54 121.76 125.11 1cy4 s ALA 224 Ca 0.25 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 1cy4 s ALA 224 Cb -0.09 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1cy4 s ALA 224 CO 0.15 0.04 0.33 -1.12 0.00 0.00 0.00 175.76 175.16 1cy4 s SER 225 N 0.80 6.17 0.46 0.00 0.01 -0.30 -1.04 113.70 119.78 1cy4 s SER 225 Ca -0.12 -0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.11 1cy4 s SER 225 Cb -0.15 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1cy4 s SER 225 CO 0.01 -0.24 0.06 0.42 0.41 0.00 0.00 173.24 173.90 1cy4 s THR 226 N 1.98 0.97 -0.04 1.44 -4.23 0.13 -0.24 115.64 115.65 1cy4 s THR 226 Ca 0.12 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 1cy4 s THR 226 Cb -0.16 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1cy4 s THR 226 CO 0.11 0.00 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.18 1cy4 s THR 227 N -3.02 1.06 0.78 3.99 2.01 -0.32 -1.14 115.64 118.99 1cy4 s THR 227 Ca 0.16 -0.51 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 1cy4 s THR 227 Cb 0.03 -0.93 0.06 0.00 0.01 0.00 0.00 72.50 71.67 1cy4 s THR 227 CO 0.09 0.32 1.14 0.42 -0.69 0.00 0.00 174.62 175.90 1cy4 s THR 228 N 0.17 2.61 0.15 -0.82 -4.23 0.29 -1.66 115.64 112.14 1cy4 s THR 228 Ca -0.04 0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 60.49 1cy4 s THR 228 Cb -0.10 -3.16 0.02 0.00 1.34 0.00 0.00 72.50 70.60 1cy4 s THR 228 CO 0.01 -0.26 1.71 -0.65 -0.54 0.00 0.00 174.62 174.89 1cy4 h PRO 229 N -0.94 0.09 -0.84 3.99 0.11 -1.91 0.49 132.00 132.98 1cy4 h PRO 229 Ca -0.46 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.81 1cy4 h PRO 229 Cb 1.30 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.29 1cy4 h PRO 229 CO 0.65 0.06 0.40 0.66 -0.21 0.00 0.00 178.00 179.55 1cy4 h SER 230 N 0.09 0.42 0.00 -2.05 4.64 -1.92 -3.45 113.55 111.28 1cy4 h SER 230 Ca 0.15 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1cy4 h SER 230 Cb 0.20 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1cy4 h SER 230 CO -0.25 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.45 1cy4 n GLY 231 N -1.33 0.44 3.77 -0.77 0.00 0.16 -5.13 105.19 102.34 1cy4 n GLY 231 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1cy4 n GLY 231 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cy4 s GLU 232 N 0.00 2.69 0.06 1.61 2.02 -1.26 -4.58 118.70 119.24 1cy4 s GLU 232 Ca 0.00 1.33 -0.25 0.00 0.02 0.00 0.00 54.97 56.07 1cy4 s GLU 232 Cb 0.00 -1.94 -0.06 0.00 0.10 0.00 0.00 34.13 32.23 1cy4 s GLU 232 CO 0.00 -1.33 0.77 0.00 0.02 0.00 0.00 175.26 174.72 1cy4 s ALA 233 N -2.48 3.37 -0.09 5.21 0.00 -1.26 -0.55 121.76 125.96 1cy4 s ALA 233 Ca 0.65 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 1cy4 s ALA 233 Cb -0.19 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 19.95 1cy4 s ALA 233 CO 0.45 0.09 -0.02 -1.17 0.00 0.00 0.00 175.76 175.10 1cy4 s LEU 234 N -0.17 0.79 -0.19 0.00 2.96 -0.30 -4.63 118.68 117.15 1cy4 s LEU 234 Ca 0.39 -0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 54.03 1cy4 s LEU 234 Cb -0.21 -0.57 -0.05 0.00 0.50 0.00 0.00 46.19 45.86 1cy4 s LEU 234 CO 0.24 -0.17 0.18 0.00 -1.32 0.00 0.00 176.35 175.28 1cy4 s ALA 235 N 1.87 3.66 0.15 5.97 0.00 -1.26 -0.69 121.76 131.45 1cy4 s ALA 235 Ca 0.05 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.44 1cy4 s ALA 235 Cb -0.12 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1cy4 s ALA 235 CO -0.06 0.11 -0.14 -0.51 0.00 0.00 0.00 175.76 175.16 1cy4 s LEU 236 N 0.44 2.46 -0.03 0.00 1.43 -0.21 -4.65 118.68 118.12 1cy4 s LEU 236 Ca 0.10 -0.89 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 1cy4 s LEU 236 Cb -0.12 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.50 1cy4 s LEU 236 CO 0.00 -0.16 -0.23 -1.58 0.23 0.00 0.00 176.35 174.61 1cy4 s GLN 237 N -3.03 2.01 0.06 1.70 0.74 -0.37 -0.09 119.66 120.67 1cy4 s GLN 237 Ca 0.14 -0.83 -0.31 0.00 0.05 0.00 0.00 55.36 54.42 1cy4 s GLN 237 Cb -0.03 -1.87 -0.06 0.00 1.10 0.00 0.00 33.01 32.15 1cy4 s GLN 237 CO 0.04 0.45 1.32 0.08 -0.55 0.00 0.00 175.29 176.63 1cy4 s VAL 238 N -0.41 3.70 -0.07 1.34 1.01 -0.32 -0.65 120.40 125.00 1cy4 s VAL 238 Ca 0.05 1.19 0.03 0.00 0.00 0.00 0.00 61.98 63.24 1cy4 s VAL 238 Cb -0.10 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 1cy4 s VAL 238 CO 0.00 0.07 -0.03 0.35 0.00 0.00 0.00 175.10 175.49 1cy4 n THR 239 N 4.14 0.42 -4.13 3.92 -2.24 -0.43 -4.76 114.28 111.22 1cy4 n THR 239 Ca 0.11 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 1cy4 n THR 239 Cb 0.44 -0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 67.77 1cy4 n THR 239 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1cy4 s HIS 240 N -2.15 0.73 -0.15 4.78 3.76 -0.60 -0.87 115.29 120.79 1cy4 s HIS 240 Ca -0.07 -0.89 -0.05 0.00 -0.15 0.00 0.00 55.06 53.90 1cy4 s HIS 240 Cb 0.02 -0.45 0.08 0.00 1.11 0.00 0.00 32.58 33.34 1cy4 s HIS 240 CO 0.20 -0.21 0.28 -1.14 -0.85 0.00 0.00 174.74 173.03 1cy4 s GLN 241 N -3.50 0.19 -1.07 1.40 0.74 -0.20 -1.61 119.66 115.61 1cy4 s GLN 241 Ca 0.07 0.71 -0.00 0.00 0.05 0.00 0.00 55.36 56.18 1cy4 s GLN 241 Cb 0.04 -0.16 0.00 0.00 1.10 0.00 0.00 33.01 33.99 1cy4 s GLN 241 CO -0.05 -0.35 0.01 0.09 -0.55 0.00 0.00 175.29 174.44 1cy4 n ASN 242 N 5.35 -3.99 0.00 6.67 5.03 -0.18 -1.94 115.26 126.20 1cy4 n ASN 242 Ca -0.06 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.37 1cy4 n ASN 242 Cb 0.50 -3.18 0.00 0.00 -1.02 0.00 0.00 39.78 36.08 1cy4 n ASN 242 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1cy4 n ASP 243 N -0.43 -0.85 -4.87 6.41 8.00 -1.26 -4.97 116.55 118.59 1cy4 n ASP 243 Ca -0.15 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.04 1cy4 n ASP 243 Cb 0.61 -1.70 -0.05 0.00 -0.02 0.00 0.00 41.12 39.97 1cy4 n ASP 243 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1cy4 s LYS 244 N -0.73 3.27 0.39 -1.24 -0.14 -0.82 -5.03 119.74 115.45 1cy4 s LYS 244 Ca 0.00 -0.47 -0.25 0.00 -1.36 0.00 0.00 55.97 53.89 1cy4 s LYS 244 Cb 0.00 -2.97 -0.11 0.00 -1.68 0.00 0.00 37.83 33.07 1cy4 s LYS 244 CO 0.00 0.62 1.00 -2.30 -0.76 0.00 0.00 175.35 173.92 1cy4 n PRO 245 N 0.61 1.36 -3.22 -1.68 -0.02 -1.26 -1.03 135.00 129.75 1cy4 n PRO 245 Ca -0.08 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.45 1cy4 n PRO 245 Cb 0.52 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.93 1cy4 n PRO 245 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1cy4 s PHE 246 N -1.23 3.11 -0.45 6.00 5.36 -0.04 -4.65 117.98 126.08 1cy4 s PHE 246 Ca 0.62 -0.33 0.07 0.00 -0.96 0.00 0.00 56.93 56.33 1cy4 s PHE 246 Cb -0.59 -3.18 0.24 0.00 -0.34 0.00 0.00 43.02 39.16 1cy4 s PHE 246 CO 0.58 -0.83 0.73 0.54 -1.46 0.00 0.00 175.22 174.77 1cy4 n ARG 247 N 5.92 0.75 -0.83 10.12 5.12 -1.26 -4.91 116.66 131.57 1cy4 n ARG 247 Ca -0.05 -2.39 -0.31 0.00 -1.93 0.00 0.00 57.85 53.16 1cy4 n ARG 247 Cb 0.47 -1.35 0.15 0.00 -1.16 0.00 0.00 32.46 30.57 1cy4 n ARG 247 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1cy4 s PRO 248 N -0.14 1.26 0.00 5.56 0.04 -1.26 -4.79 135.00 135.68 1cy4 s PRO 248 Ca 0.33 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1cy4 s PRO 248 Cb 0.20 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1cy4 s PRO 248 CO -0.19 -2.43 0.49 1.33 0.04 0.00 0.00 177.00 176.25 1cy4 n VAL 249 N -4.08 0.06 -4.17 -0.36 0.24 -1.26 -0.97 118.33 107.79 1cy4 n VAL 249 Ca 0.11 -0.48 -0.16 0.00 -2.04 0.00 0.00 64.34 61.76 1cy4 n VAL 249 Cb 0.52 1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 33.89 1cy4 n VAL 249 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1cy4 s ASN 250 N -0.06 1.09 0.07 -1.34 4.22 -1.26 -4.49 114.94 113.17 1cy4 s ASN 250 Ca 0.00 -1.56 -0.18 0.00 -2.14 0.00 0.00 52.86 48.98 1cy4 s ASN 250 Cb 0.00 0.59 -0.10 0.00 1.28 0.00 0.00 41.25 43.02 1cy4 s ASN 250 CO 0.00 -1.16 1.43 0.50 -2.04 0.00 0.00 177.10 175.83 1cy4 h LYS 251 N 2.18 0.50 -0.43 3.55 3.64 -2.01 -3.24 116.57 120.75 1cy4 h LYS 251 Ca -0.28 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1cy4 h LYS 251 Cb 1.24 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1cy4 h LYS 251 CO 0.39 0.78 0.17 0.93 -2.27 0.00 0.00 179.45 179.45 1cy4 h GLU 252 N 0.21 0.65 -0.68 1.90 3.07 -1.99 -2.17 114.58 115.56 1cy4 h GLU 252 Ca 0.05 -0.12 0.12 0.00 -0.50 0.00 0.00 59.36 58.91 1cy4 h GLU 252 Cb 0.64 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.40 1cy4 h GLU 252 CO 0.04 0.60 0.46 1.96 -1.40 0.00 0.00 179.01 180.67 1cy4 h GLN 253 N 0.56 0.42 0.15 2.33 4.20 -1.99 -0.39 115.11 120.38 1cy4 h GLN 253 Ca 0.14 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1cy4 h GLN 253 Cb 0.20 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1cy4 h GLN 253 CO -0.01 0.28 -0.07 1.15 -0.67 0.00 0.00 178.83 179.50 1cy4 h THR 254 N 0.43 0.84 -1.00 -0.54 2.02 -1.51 -2.74 112.91 110.41 1cy4 h THR 254 Ca 0.32 -1.17 0.14 0.00 0.77 0.00 0.00 66.41 66.48 1cy4 h THR 254 Cb 0.68 1.43 -0.09 0.00 -1.74 0.00 0.00 68.15 68.43 1cy4 h THR 254 CO -0.10 0.22 0.63 1.56 0.37 0.00 0.00 175.52 178.20 1cy4 h GLN 255 N -0.87 0.91 -0.06 6.66 1.08 -1.02 0.94 115.11 122.73 1cy4 h GLN 255 Ca -0.02 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1cy4 h GLN 255 Cb 0.52 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 1cy4 h GLN 255 CO 0.03 0.60 -0.10 0.00 -0.95 0.00 0.00 178.83 178.41 1cy4 h ALA 256 N 1.57 -0.06 -0.20 3.87 0.00 -1.12 0.67 119.26 123.99 1cy4 h ALA 256 Ca 0.52 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.34 1cy4 h ALA 256 Cb 0.60 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1cy4 h ALA 256 CO -0.29 -0.58 -0.36 0.00 0.00 0.00 0.00 179.25 178.03 1cy4 h ALA 257 N 0.88 1.02 -0.52 0.00 0.00 -0.74 -3.03 119.26 116.87 1cy4 h ALA 257 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1cy4 h ALA 257 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1cy4 h ALA 257 CO -0.15 0.60 0.30 0.28 0.00 0.00 0.00 179.25 180.27 1cy4 h VAL 258 N 0.36 1.17 0.00 0.00 2.07 0.17 -1.36 116.25 118.66 1cy4 h VAL 258 Ca 0.04 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1cy4 h VAL 258 Cb 0.80 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1cy4 h VAL 258 CO 0.06 0.18 -0.31 0.77 0.02 0.00 0.00 177.57 178.30 1cy4 h SER 259 N 0.70 0.00 -0.05 0.57 4.64 -0.86 -1.25 113.55 117.30 1cy4 h SER 259 Ca 0.18 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 1cy4 h SER 259 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1cy4 h SER 259 CO -0.03 0.31 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.03 1cy4 h LEU 260 N 0.00 0.21 -2.49 5.97 3.38 -1.37 -3.04 115.31 117.97 1cy4 h LEU 260 Ca -0.00 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 1cy4 h LEU 260 Cb 0.83 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1cy4 h LEU 260 CO 0.04 0.77 -0.02 -0.07 0.09 0.00 0.00 178.44 179.25 1cy4 h LEU 261 N -0.34 0.00 -0.81 1.67 3.38 -1.10 -1.49 115.31 116.63 1cy4 h LEU 261 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cy4 h LEU 261 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1cy4 h LEU 261 CO 0.03 0.02 0.00 -0.08 0.09 0.00 0.00 178.44 178.50 1cy4 h GLU 262 N 0.00 0.00 0.00 1.13 4.81 -1.10 -3.19 114.58 116.23 1cy4 h GLU 262 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1cy4 h GLU 262 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1cy4 h GLU 262 CO 0.00 0.00 -1.00 1.63 -0.73 0.00 0.00 179.01 178.91 1cy4 n LYS 263 N -2.84 1.83 -1.03 1.92 5.02 -0.59 -5.03 118.16 117.43 1cy4 n LYS 263 Ca 0.02 -0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 1cy4 n LYS 263 Cb 0.36 -1.19 0.13 0.00 -0.02 0.00 0.00 35.03 34.31 1cy4 n LYS 263 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cy4 s ALA 264 N -2.49 1.79 -0.26 7.82 0.00 -1.03 -5.00 121.76 122.59 1cy4 s ALA 264 Ca 0.01 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 52.57 1cy4 s ALA 264 Cb 0.09 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1cy4 s ALA 264 CO 0.54 -2.34 0.16 0.50 0.00 0.00 0.00 175.76 174.62 1cy4 s ARG 265 N -4.35 3.95 -0.06 0.00 6.06 -1.26 -4.96 118.95 118.33 1cy4 s ARG 265 Ca 0.70 -0.32 -0.15 0.00 -2.50 0.00 0.00 55.73 53.46 1cy4 s ARG 265 Cb -0.25 -3.57 -0.05 0.00 0.06 0.00 0.00 34.95 31.14 1cy4 s ARG 265 CO 0.53 -0.09 0.38 0.71 -2.50 0.00 0.00 175.30 174.33 1cy4 s TYR 266 N 1.48 3.62 -0.03 5.12 1.51 -1.26 -4.00 117.35 123.80 1cy4 s TYR 266 Ca 0.07 0.87 -0.16 0.00 -1.01 0.00 0.00 57.07 56.84 1cy4 s TYR 266 Cb -0.15 -2.33 0.03 0.00 -0.11 0.00 0.00 41.96 39.39 1cy4 s TYR 266 CO 0.08 0.47 0.34 -1.54 -1.11 0.00 0.00 175.55 173.79 1cy4 s SER 267 N -0.41 -0.24 -0.73 2.29 1.04 -0.22 -1.61 113.70 113.82 1cy4 s SER 267 Ca 0.22 0.18 -0.26 0.00 0.48 0.00 0.00 55.95 56.58 1cy4 s SER 267 Cb -0.15 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1cy4 s SER 267 CO 0.10 -0.43 1.69 -0.69 0.98 0.00 0.00 173.24 174.89 1cy4 s VAL 268 N -1.19 3.52 -0.65 5.02 1.01 -0.09 0.04 120.40 128.05 1cy4 s VAL 268 Ca -0.12 0.07 0.25 0.00 0.00 0.00 0.00 61.98 62.18 1cy4 s VAL 268 Cb -0.05 -4.31 0.27 0.00 0.00 0.00 0.00 36.38 32.30 1cy4 s VAL 268 CO 0.04 -1.26 1.76 -0.11 0.00 0.00 0.00 175.10 175.53 1cy4 n LEU 269 N 11.73 0.75 -3.64 3.92 0.00 -0.17 -0.77 117.00 128.83 1cy4 n LEU 269 Ca 0.20 0.61 -0.05 0.00 0.00 0.00 0.00 56.01 56.77 1cy4 n LEU 269 Cb 0.50 -0.41 -0.06 0.00 0.00 0.00 0.00 43.42 43.45 1cy4 n LEU 269 CO 0.69 -0.31 1.03 -0.70 0.00 0.00 0.00 177.39 178.10 1cy4 s GLU 270 N -3.17 0.21 -0.01 1.96 2.12 -0.99 -4.89 118.70 113.94 1cy4 s GLU 270 Ca 0.09 0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.61 1cy4 s GLU 270 Cb 0.11 0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 1cy4 s GLU 270 CO 0.53 -0.04 -0.10 0.50 -0.54 0.00 0.00 175.26 175.60 1cy4 s ARG 271 N -0.33 0.83 -0.07 4.30 3.52 -1.26 -0.65 118.95 125.29 1cy4 s ARG 271 Ca 0.06 -0.39 -0.03 0.00 -0.13 0.00 0.00 55.73 55.24 1cy4 s ARG 271 Cb -0.03 -0.80 0.04 0.00 -1.56 0.00 0.00 34.95 32.60 1cy4 s ARG 271 CO -0.10 0.22 0.14 -2.00 -0.81 0.00 0.00 175.30 172.75 1cy4 s GLU 272 N -0.30 0.03 -0.27 5.12 2.12 -0.94 -5.02 118.70 119.44 1cy4 s GLU 272 Ca 0.04 0.49 -0.00 0.00 0.36 0.00 0.00 54.97 55.85 1cy4 s GLU 272 Cb -0.04 -0.28 0.05 0.00 0.26 0.00 0.00 34.13 34.12 1cy4 s GLU 272 CO -0.00 -0.27 -0.05 -0.51 -0.54 0.00 0.00 175.26 173.88 1cy4 s ASP 273 N 1.98 4.60 -0.03 -1.70 1.01 -1.26 -1.08 116.67 120.18 1cy4 s ASP 273 Ca 0.00 -1.23 0.04 0.00 0.71 0.00 0.00 52.55 52.08 1cy4 s ASP 273 Cb -0.12 -1.64 -0.01 0.00 1.01 0.00 0.00 42.92 42.16 1cy4 s ASP 273 CO -0.05 -0.21 -0.17 -1.59 0.21 0.00 0.00 175.17 173.36 1cy4 s LYS 274 N 1.22 1.61 0.01 8.23 -2.85 -0.27 -4.97 119.74 122.72 1cy4 s LYS 274 Ca -0.05 -0.59 -0.30 0.00 -1.00 0.00 0.00 55.97 54.03 1cy4 s LYS 274 Cb -0.19 -1.44 -0.03 0.00 -2.06 0.00 0.00 37.83 34.10 1cy4 s LYS 274 CO -0.03 0.27 1.00 -1.25 0.10 0.00 0.00 175.35 175.44 1cy4 s PRO 275 N -0.08 4.55 0.41 1.78 0.04 -1.26 -0.80 135.00 139.63 1cy4 s PRO 275 Ca -0.01 1.46 0.06 0.00 0.04 0.00 0.00 61.00 62.55 1cy4 s PRO 275 Cb -0.10 -3.44 -0.07 0.00 0.04 0.00 0.00 34.50 30.93 1cy4 s PRO 275 CO 0.01 -0.06 0.02 0.95 0.04 0.00 0.00 177.00 177.96 1cy4 s THR 276 N 0.96 1.72 0.14 1.26 -4.23 0.41 -4.92 115.64 110.97 1cy4 s THR 276 Ca 0.52 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 1cy4 s THR 276 Cb -0.22 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 1cy4 s THR 276 CO 0.28 0.00 0.14 0.42 -0.54 0.00 0.00 174.62 174.92 1cy4 s THR 277 N -2.85 0.10 -0.04 3.99 -4.23 -1.26 -0.09 115.64 111.26 1cy4 s THR 277 Ca 0.31 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1cy4 s THR 277 Cb 0.09 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 72.03 1cy4 s THR 277 CO 0.16 -0.44 -0.01 -0.94 -0.54 0.00 0.00 174.62 172.85 1cy4 s SER 278 N -3.01 0.67 0.14 3.99 1.04 -0.93 -4.97 113.70 110.63 1cy4 s SER 278 Ca 0.20 -0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.54 1cy4 s SER 278 Cb 0.06 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.84 1cy4 s SER 278 CO 0.00 -0.10 0.35 -0.54 0.98 0.00 0.00 173.24 173.93 1cy4 s LYS 279 N 1.11 3.58 0.62 4.02 1.02 -1.26 -2.06 119.74 126.76 1cy4 s LYS 279 Ca -0.08 -0.18 -0.14 0.00 0.02 0.00 0.00 55.97 55.59 1cy4 s LYS 279 Cb -0.14 -2.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1cy4 s LYS 279 CO -0.02 0.48 1.05 -1.25 -0.92 0.00 0.00 175.35 174.70 1cy4 s PRO 280 N -2.72 3.27 0.70 -1.68 0.04 -1.26 -5.03 135.00 128.32 1cy4 s PRO 280 Ca 0.40 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 1cy4 s PRO 280 Cb -0.12 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1cy4 s PRO 280 CO 0.26 -0.84 1.06 0.20 0.04 0.00 0.00 177.00 177.72 1cy4 s GLY 281 N -3.16 1.66 0.85 0.56 0.00 -1.26 -4.90 107.32 101.06 1cy4 s GLY 281 Ca 0.61 -0.02 -0.11 0.00 0.00 0.00 0.00 44.72 45.21 1cy4 s GLY 281 CO 0.42 0.31 1.10 0.00 0.00 0.00 0.00 173.10 174.93 1cy4 s ALA 282 N -3.10 1.80 0.54 3.20 0.00 -1.26 -4.28 121.76 118.66 1cy4 s ALA 282 Ca 0.58 0.24 -0.21 0.00 0.00 0.00 0.00 51.96 52.57 1cy4 s ALA 282 Cb -0.13 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1cy4 s ALA 282 CO 0.55 -2.21 1.24 -1.25 0.00 0.00 0.00 175.76 174.09 1cy4 s PRO 283 N -4.84 3.24 0.91 0.00 0.04 -1.26 -4.96 135.00 128.14 1cy4 s PRO 283 Ca 0.63 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 63.49 1cy4 s PRO 283 Cb -0.19 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.27 1cy4 s PRO 283 CO 0.57 -1.02 0.80 1.19 0.04 0.00 0.00 177.00 178.58 1cy4 n PHE 284 N -1.11 -0.21 -4.05 0.56 3.72 -1.26 -4.80 117.46 110.31 1cy4 n PHE 284 Ca 0.11 0.32 -0.09 0.00 -0.05 0.00 0.00 57.45 57.74 1cy4 n PHE 284 Cb 0.48 -1.91 -0.09 0.00 -0.94 0.00 0.00 39.48 37.02 1cy4 n PHE 284 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1cy4 s ILE 285 N -2.45 0.11 0.15 4.37 -4.36 -1.26 -1.42 121.20 116.33 1cy4 s ILE 285 Ca 0.63 -1.66 -0.29 0.00 -0.26 0.00 0.00 60.65 59.07 1cy4 s ILE 285 Cb -0.23 -1.85 -0.07 0.00 1.25 0.00 0.00 42.46 41.56 1cy4 s ILE 285 CO 0.62 -0.49 1.45 0.41 0.24 0.00 0.00 174.94 177.16 1cy4 n THR 286 N -0.11 -0.64 0.33 8.37 -1.04 -0.82 -0.33 114.28 120.05 1cy4 n THR 286 Ca -0.08 2.28 -0.17 0.00 -2.04 0.00 0.00 64.05 64.04 1cy4 n THR 286 Cb 0.63 -2.81 -0.09 0.00 -1.82 0.00 0.00 70.33 66.24 1cy4 n THR 286 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1cy4 h SER 287 N 0.00 -0.77 -0.87 8.00 4.64 -1.94 -2.32 113.55 120.30 1cy4 h SER 287 Ca 0.15 0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.58 1cy4 h SER 287 Cb 0.39 0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 62.63 1cy4 h SER 287 CO -0.88 -0.51 0.57 0.71 -0.87 0.00 0.00 176.83 175.84 1cy4 h THR 288 N -0.83 1.02 -0.02 2.95 1.35 -1.85 -2.25 112.91 113.27 1cy4 h THR 288 Ca -0.08 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1cy4 h THR 288 Cb 0.66 0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.09 1cy4 h THR 288 CO 0.11 0.17 0.01 0.25 -0.25 0.00 0.00 175.52 175.81 1cy4 h LEU 289 N 0.93 0.02 -0.47 3.87 5.85 -0.50 -1.21 115.31 123.79 1cy4 h LEU 289 Ca 0.39 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.12 1cy4 h LEU 289 Cb 0.29 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1cy4 h LEU 289 CO -0.15 0.02 0.28 1.56 -0.34 0.00 0.00 178.44 179.81 1cy4 h GLN 290 N 0.02 0.55 -0.53 1.25 4.20 -0.89 0.15 115.11 119.86 1cy4 h GLN 290 Ca 0.01 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.69 1cy4 h GLN 290 Cb -0.00 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1cy4 h GLN 290 CO -0.00 0.36 0.35 0.37 -0.67 0.00 0.00 178.83 179.25 1cy4 h GLN 291 N 0.57 0.70 -0.51 1.46 5.75 -1.29 0.24 115.11 122.03 1cy4 h GLN 291 Ca 0.19 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.56 1cy4 h GLN 291 Cb 0.00 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 1cy4 h GLN 291 CO -0.08 0.46 -0.04 0.00 -2.65 0.00 0.00 178.83 176.53 1cy4 h ALA 292 N 1.19 0.98 -0.38 3.38 0.00 -0.77 0.20 119.26 123.86 1cy4 h ALA 292 Ca 0.19 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1cy4 h ALA 292 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1cy4 h ALA 292 CO -0.04 0.62 -0.21 0.00 0.00 0.00 0.00 179.25 179.61 1cy4 h ALA 293 N 1.14 0.92 -0.04 0.00 0.00 -0.31 0.19 119.26 121.16 1cy4 h ALA 293 Ca 0.15 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1cy4 h ALA 293 Cb 0.54 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1cy4 h ALA 293 CO 0.03 0.62 -0.54 1.03 0.00 0.00 0.00 179.25 180.39 1cy4 h SER 294 N 0.65 0.54 -0.05 0.00 0.87 -0.64 -1.04 113.55 113.87 1cy4 h SER 294 Ca 0.09 -0.71 -0.03 0.00 -1.23 0.00 0.00 61.79 59.91 1cy4 h SER 294 Cb 0.71 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1cy4 h SER 294 CO 0.05 1.17 -0.07 0.74 -0.53 0.00 0.00 176.83 178.20 1cy4 h THR 295 N -0.05 1.40 0.04 2.23 2.02 -0.57 -2.24 112.91 115.74 1cy4 h THR 295 Ca -0.06 -1.29 -0.09 0.00 0.77 0.00 0.00 66.41 65.74 1cy4 h THR 295 Cb 1.22 2.14 0.01 0.00 -1.74 0.00 0.00 68.15 69.78 1cy4 h THR 295 CO 0.11 0.35 -0.37 0.03 0.37 0.00 0.00 175.52 176.01 1cy4 h ARG 296 N -0.33 0.19 -0.01 6.66 -0.00 -0.76 -3.40 114.38 116.72 1cy4 h ARG 296 Ca 0.01 -0.25 0.00 0.00 -0.50 0.00 0.00 59.98 59.23 1cy4 h ARG 296 Cb 0.61 0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.66 1cy4 h ARG 296 CO 0.02 1.04 -0.05 1.28 0.00 0.00 0.00 179.97 182.25 1cy4 n LEU 297 N -4.40 1.51 -1.51 3.04 4.77 -0.71 -5.01 117.00 114.70 1cy4 n LEU 297 Ca -0.11 -0.93 -0.11 0.00 -0.03 0.00 0.00 56.01 54.83 1cy4 n LEU 297 Cb 0.60 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 1cy4 n LEU 297 CO 0.41 0.30 -0.06 0.61 -1.33 0.00 0.00 177.39 177.32 1cy4 n GLY 298 N 0.58 -0.01 3.78 -0.72 0.00 -0.64 -4.95 105.19 103.23 1cy4 n GLY 298 Ca 0.04 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1cy4 n GLY 298 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cy4 s PHE 299 N -2.73 3.53 0.86 1.61 0.08 -0.49 -4.92 117.98 115.92 1cy4 s PHE 299 Ca 0.09 0.60 -0.12 0.00 0.12 0.00 0.00 56.93 57.62 1cy4 s PHE 299 Cb -0.04 -2.20 0.11 0.00 -0.57 0.00 0.00 43.02 40.31 1cy4 s PHE 299 CO 0.11 0.44 1.13 0.20 -0.10 0.00 0.00 175.22 177.00 1cy4 s GLY 300 N -0.17 1.59 0.18 4.36 0.00 -1.26 -3.13 107.32 108.89 1cy4 s GLY 300 Ca 0.16 -0.47 -0.13 0.00 0.00 0.00 0.00 44.72 44.28 1cy4 s GLY 300 CO 0.04 0.04 1.82 -2.08 0.00 0.00 0.00 173.10 172.93 1cy4 h VAL 301 N -1.29 1.08 -0.33 1.40 2.07 -1.93 -1.07 116.25 116.17 1cy4 h VAL 301 Ca -0.49 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1cy4 h VAL 301 Cb 1.31 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1cy4 h VAL 301 CO 0.62 0.12 0.16 0.50 0.02 0.00 0.00 177.57 179.00 1cy4 h LYS 302 N 0.66 0.48 0.30 1.57 3.64 -1.93 -1.02 116.57 120.27 1cy4 h LYS 302 Ca 0.21 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1cy4 h LYS 302 Cb -0.00 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1cy4 h LYS 302 CO -0.08 0.44 -0.27 -0.22 -2.27 0.00 0.00 179.45 177.04 1cy4 h LYS 303 N 0.41 -0.57 -0.71 1.90 1.63 -1.88 -1.46 116.57 115.89 1cy4 h LYS 303 Ca 0.12 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.00 1cy4 h LYS 303 Cb 0.11 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.82 1cy4 h LYS 303 CO -0.02 -0.38 0.43 1.15 -3.45 0.00 0.00 179.45 177.18 1cy4 h THR 304 N -0.60 1.05 0.00 1.00 2.02 -1.10 -2.11 112.91 113.18 1cy4 h THR 304 Ca -0.01 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 1cy4 h THR 304 Cb 0.54 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1cy4 h THR 304 CO -0.04 0.15 -0.52 0.24 0.37 0.00 0.00 175.52 175.71 1cy4 h MET 305 N 0.81 0.00 -0.07 6.66 2.86 -1.04 -0.76 114.93 123.40 1cy4 h MET 305 Ca 0.30 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.72 1cy4 h MET 305 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1cy4 h MET 305 CO -0.14 0.52 -0.84 0.52 1.06 0.00 0.00 176.91 178.03 1cy4 h MET 306 N 0.00 0.55 -0.10 1.72 2.07 -0.87 -2.17 114.93 116.13 1cy4 h MET 306 Ca -0.01 -0.50 -0.23 0.00 -2.07 0.00 0.00 59.70 56.90 1cy4 h MET 306 Cb 0.95 0.12 0.01 0.00 -1.87 0.00 0.00 31.60 30.81 1cy4 h MET 306 CO 0.07 1.13 -0.84 0.52 1.07 0.00 0.00 176.91 178.85 1cy4 h MET 307 N 0.35 0.69 0.13 1.72 2.86 -1.35 -2.28 114.93 117.05 1cy4 h MET 307 Ca -0.06 -0.61 0.01 0.00 -2.06 0.00 0.00 59.70 56.98 1cy4 h MET 307 Cb 1.45 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 33.23 1cy4 h MET 307 CO 0.15 1.22 -0.22 0.00 1.06 0.00 0.00 176.91 179.12 1cy4 h ALA 308 N 0.59 -0.39 -0.81 6.32 0.00 -1.14 0.99 119.26 124.82 1cy4 h ALA 308 Ca -0.07 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1cy4 h ALA 308 Cb 1.47 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 1cy4 h ALA 308 CO 0.17 -0.76 0.54 0.37 0.00 0.00 0.00 179.25 179.56 1cy4 h GLN 309 N -0.43 0.99 -0.47 0.00 4.15 -1.41 -0.73 115.11 117.20 1cy4 h GLN 309 Ca 0.02 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 1cy4 h GLN 309 Cb 0.44 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1cy4 h GLN 309 CO -0.11 0.65 -0.02 -0.09 -1.93 0.00 0.00 178.83 177.34 1cy4 h ARG 310 N 1.02 0.80 -0.14 1.69 2.43 -0.76 0.62 114.38 120.02 1cy4 h ARG 310 Ca 0.32 -0.22 -0.21 0.00 -0.81 0.00 0.00 59.98 59.06 1cy4 h ARG 310 Cb 0.02 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1cy4 h ARG 310 CO -0.09 0.81 -0.76 -0.07 -1.51 0.00 0.00 179.97 178.35 1cy4 h LEU 311 N 0.74 0.84 0.14 3.80 3.38 -0.17 -2.90 115.31 121.14 1cy4 h LEU 311 Ca 0.14 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1cy4 h LEU 311 Cb 0.47 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1cy4 h LEU 311 CO 0.02 1.33 -0.07 0.22 0.09 0.00 0.00 178.44 180.03 1cy4 h TYR 312 N 0.48 -0.17 0.00 1.13 3.20 -0.84 -0.77 116.97 120.00 1cy4 h TYR 312 Ca -0.04 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1cy4 h TYR 312 Cb 1.37 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.70 1cy4 h TYR 312 CO 0.08 0.10 0.00 0.93 -1.64 0.00 0.00 178.16 177.63 1cy4 h GLU 313 N -0.44 0.00 -0.00 1.82 5.08 -0.97 0.59 114.58 120.65 1cy4 h GLU 313 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1cy4 h GLU 313 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1cy4 h GLU 313 CO 0.03 0.00 -0.25 0.00 -1.00 0.00 0.00 179.01 177.80 1cy4 n ALA 314 N -1.85 3.03 -0.79 3.43 0.00 -1.03 -4.26 120.51 119.03 1cy4 n ALA 314 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1cy4 n ALA 314 Cb 0.15 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1cy4 n ALA 314 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cy4 n GLY 315 N 1.36 0.53 0.08 0.00 0.00 0.20 -4.97 105.19 102.40 1cy4 n GLY 315 Ca 0.11 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 1cy4 n GLY 315 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cy4 n TYR 316 N -2.79 0.64 -4.14 1.61 4.01 -0.32 -4.74 117.16 111.43 1cy4 n TYR 316 Ca 0.00 0.22 -0.10 0.00 -0.16 0.00 0.00 57.90 57.85 1cy4 n TYR 316 Cb 0.00 -1.01 -0.10 0.00 -0.31 0.00 0.00 39.34 37.92 1cy4 n TYR 316 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1cy4 s ILE 317 N -2.84 0.07 0.83 -0.72 -4.36 -1.23 -0.88 121.20 112.07 1cy4 s ILE 317 Ca -0.05 -1.88 -0.12 0.00 -0.26 0.00 0.00 60.65 58.34 1cy4 s ILE 317 Cb 0.09 -2.16 0.09 0.00 1.25 0.00 0.00 42.46 41.73 1cy4 s ILE 317 CO 0.83 -0.31 1.11 0.42 0.24 0.00 0.00 174.94 177.23 1cy4 s THR 318 N -4.07 2.70 0.08 8.37 -4.23 -0.78 -4.43 115.64 113.28 1cy4 s THR 318 Ca 0.28 0.23 -0.37 0.00 -1.18 0.00 0.00 61.69 60.65 1cy4 s THR 318 Cb 0.07 -2.98 -0.18 0.00 1.34 0.00 0.00 72.50 70.75 1cy4 s THR 318 CO 0.05 -0.30 1.20 0.00 -0.54 0.00 0.00 174.62 175.03 1cy4 n TYR 319 N -3.54 1.14 1.48 3.99 9.36 0.10 -4.74 117.16 124.95 1cy4 n TYR 319 Ca 0.07 0.78 0.08 0.00 3.32 0.00 0.00 57.90 62.16 1cy4 n TYR 319 Cb 0.57 -2.24 0.36 0.00 -0.63 0.00 0.00 39.34 37.41 1cy4 n TYR 319 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1cy4 n MET 320 N 2.03 1.46 -3.91 2.98 0.00 -1.26 -4.61 117.12 113.80 1cy4 n MET 320 Ca 0.18 -0.69 -0.32 0.00 0.00 0.00 0.00 57.70 56.87 1cy4 n MET 320 Cb 0.17 -1.31 -0.13 0.00 0.00 0.00 0.00 33.22 31.95 1cy4 n MET 320 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1cy4 s ARG 321 N -1.83 1.88 0.06 3.17 0.52 -1.26 -4.42 118.95 117.06 1cy4 s ARG 321 Ca 0.27 -2.17 -0.27 0.00 -0.52 0.00 0.00 55.73 53.04 1cy4 s ARG 321 Cb 0.14 -3.39 0.07 0.00 0.52 0.00 0.00 34.95 32.29 1cy4 s ARG 321 CO 0.21 -1.05 0.65 -0.08 0.02 0.00 0.00 175.30 175.05 1cy4 s THR 322 N 0.47 0.00 -0.07 0.02 -1.32 -1.26 -4.93 115.64 108.55 1cy4 s THR 322 Ca 0.13 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.71 1cy4 s THR 322 Cb -0.22 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 69.93 1cy4 s THR 322 CO -0.04 0.00 1.05 -0.90 -2.21 0.00 0.00 174.62 172.52 1cy4 n ASP 323 N 0.20 1.51 -4.61 8.08 5.68 -1.26 -1.95 116.55 124.19 1cy4 n ASP 323 Ca -0.17 -2.53 -0.35 0.00 -0.50 0.00 0.00 54.79 51.24 1cy4 n ASP 323 Cb 0.61 -0.29 -0.10 0.00 -1.14 0.00 0.00 41.12 40.20 1cy4 n ASP 323 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1cy4 s SER 324 N -1.95 5.59 -0.24 -1.12 0.15 -1.26 -4.99 113.70 109.87 1cy4 s SER 324 Ca 0.17 0.05 0.13 0.00 0.70 0.00 0.00 55.95 57.00 1cy4 s SER 324 Cb 0.15 -1.96 0.79 0.00 -1.71 0.00 0.00 66.02 63.29 1cy4 s SER 324 CO 0.02 0.14 1.73 0.35 1.20 0.00 0.00 173.24 176.68 1cy4 n THR 325 N 3.73 2.72 -2.50 6.45 -2.24 -1.26 -2.64 114.28 118.53 1cy4 n THR 325 Ca -0.16 -1.39 -0.31 0.00 -2.27 0.00 0.00 64.05 59.92 1cy4 n THR 325 Cb 0.52 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1cy4 n THR 325 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1cy4 s ASN 326 N -0.78 6.53 -0.02 3.42 2.47 -1.26 -4.60 114.94 120.71 1cy4 s ASN 326 Ca 0.53 1.38 0.04 0.00 0.42 0.00 0.00 52.86 55.23 1cy4 s ASN 326 Cb 0.41 -2.43 -0.00 0.00 -1.45 0.00 0.00 41.25 37.77 1cy4 s ASN 326 CO 0.15 -0.56 -0.12 -0.76 -3.72 0.00 0.00 177.10 172.09 1cy4 s LEU 327 N -4.14 1.93 0.84 3.21 1.43 -1.26 -1.27 118.68 119.41 1cy4 s LEU 327 Ca 0.55 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 1cy4 s LEU 327 Cb -0.10 -0.68 0.10 0.00 0.03 0.00 0.00 46.19 45.54 1cy4 s LEU 327 CO 0.34 0.13 1.09 -0.94 0.23 0.00 0.00 176.35 177.20 1cy4 s SER 328 N -0.08 3.90 0.17 2.29 1.04 -1.26 -4.86 113.70 114.90 1cy4 s SER 328 Ca 0.01 1.70 -0.14 0.00 0.48 0.00 0.00 55.95 58.00 1cy4 s SER 328 Cb -0.07 -2.37 0.06 0.00 0.10 0.00 0.00 66.02 63.73 1cy4 s SER 328 CO 0.00 -2.40 1.79 -0.61 0.98 0.00 0.00 173.24 173.00 1cy4 h GLN 329 N -1.38 0.73 -0.63 4.02 4.15 -2.01 -2.00 115.11 117.98 1cy4 h GLN 329 Ca -0.46 -0.08 -0.09 0.00 0.77 0.00 0.00 58.65 58.79 1cy4 h GLN 329 Cb 1.26 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.78 1cy4 h GLN 329 CO 0.52 0.55 0.03 -0.44 -1.93 0.00 0.00 178.83 177.56 1cy4 h ASP 330 N 0.70 1.06 -0.69 -0.69 3.32 -1.98 -0.44 116.42 117.71 1cy4 h ASP 330 Ca 0.19 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1cy4 h ASP 330 Cb 0.02 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1cy4 h ASP 330 CO -0.03 1.09 0.44 0.00 -1.72 0.00 0.00 179.24 179.03 1cy4 h ALA 331 N 1.02 0.87 -0.06 3.45 0.00 -1.88 0.17 119.26 122.83 1cy4 h ALA 331 Ca 0.18 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1cy4 h ALA 331 Cb 0.53 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1cy4 h ALA 331 CO 0.03 0.31 -0.67 0.28 0.00 0.00 0.00 179.25 179.20 1cy4 h VAL 332 N 0.93 1.41 0.01 0.00 2.07 -1.19 -2.13 116.25 117.35 1cy4 h VAL 332 Ca 0.25 -2.12 -0.23 0.00 0.82 0.00 0.00 66.70 65.42 1cy4 h VAL 332 Cb -0.09 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1cy4 h VAL 332 CO -0.05 0.63 -0.96 0.78 0.02 0.00 0.00 177.57 177.98 1cy4 h ASN 333 N 0.18 0.55 -0.46 0.57 2.35 -0.67 -1.37 115.58 116.73 1cy4 h ASN 333 Ca -0.02 -0.45 -0.13 0.00 -0.55 0.00 0.00 56.30 55.15 1cy4 h ASN 333 Cb 1.21 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1cy4 h ASN 333 CO 0.11 1.25 -0.23 0.00 -1.65 0.00 0.00 177.43 176.91 1cy4 h MET 334 N 0.24 0.98 -0.34 0.81 -0.00 -0.63 -2.41 114.93 113.58 1cy4 h MET 334 Ca -0.09 -0.42 -0.13 0.00 -0.00 0.00 0.00 59.70 59.06 1cy4 h MET 334 Cb 1.60 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 33.16 1cy4 h MET 334 CO 0.17 1.09 -0.29 -0.24 -0.00 0.00 0.00 176.91 177.65 1cy4 h VAL 335 N 0.84 1.29 -0.82 -0.10 3.04 -1.38 -2.19 116.25 116.92 1cy4 h VAL 335 Ca 0.11 -1.45 0.01 0.00 -1.01 0.00 0.00 66.70 64.36 1cy4 h VAL 335 Cb 0.81 1.45 -0.04 0.00 -2.01 0.00 0.00 31.29 31.50 1cy4 h VAL 335 CO 0.07 0.47 0.54 0.03 -1.01 0.00 0.00 177.57 177.68 1cy4 h ARG 336 N 0.58 1.07 -0.44 4.17 3.08 -1.19 0.06 114.38 121.70 1cy4 h ARG 336 Ca 0.06 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1cy4 h ARG 336 Cb 0.86 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1cy4 h ARG 336 CO 0.07 0.70 0.23 0.78 -1.07 0.00 0.00 179.97 180.69 1cy4 h GLY 337 N 1.10 0.66 0.83 0.04 0.00 -1.25 -0.87 103.07 103.58 1cy4 h GLY 337 Ca 0.30 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1cy4 h GLY 337 CO -0.07 0.30 0.32 -1.82 0.00 0.00 0.00 176.54 175.26 1cy4 h TYR 338 N 0.57 0.59 -0.82 5.60 5.03 -0.54 -0.04 116.97 127.36 1cy4 h TYR 338 Ca 0.15 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.46 1cy4 h TYR 338 Cb 0.07 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.13 1cy4 h TYR 338 CO -0.02 0.33 0.42 0.82 -1.32 0.00 0.00 178.16 178.39 1cy4 h ILE 339 N 0.63 1.25 -0.32 1.81 2.04 -0.70 -0.52 117.51 121.70 1cy4 h ILE 339 Ca 0.23 -0.67 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 1cy4 h ILE 339 Cb 0.05 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1cy4 h ILE 339 CO -0.11 0.29 -0.09 -1.28 0.00 0.00 0.00 178.15 176.96 1cy4 h SER 340 N 1.16 0.64 -0.15 1.72 0.87 -0.56 0.35 113.55 117.57 1cy4 h SER 340 Ca 0.29 -0.37 -0.21 0.00 -1.23 0.00 0.00 61.79 60.26 1cy4 h SER 340 Cb 0.08 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1cy4 h SER 340 CO -0.04 0.87 -0.71 0.44 -0.53 0.00 0.00 176.83 176.85 1cy4 h ASP 341 N 0.41 0.92 0.01 6.23 3.32 -0.90 -3.08 116.42 123.34 1cy4 h ASP 341 Ca 0.08 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1cy4 h ASP 341 Cb 0.59 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1cy4 h ASP 341 CO 0.03 1.37 -0.44 0.59 -1.72 0.00 0.00 179.24 179.07 1cy4 n ASN 342 N -3.95 1.94 0.00 6.45 3.02 -0.21 -4.75 115.26 117.76 1cy4 n ASN 342 Ca -0.06 -1.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 1cy4 n ASN 342 Cb 0.71 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 1cy4 n ASN 342 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1cy4 n PHE 343 N -0.06 0.00 0.00 3.10 3.72 0.12 -5.02 117.46 119.31 1cy4 n PHE 343 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1cy4 n PHE 343 Cb 0.46 0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 1cy4 n PHE 343 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cy4 n GLY 344 N 2.16 2.67 0.25 1.37 0.00 -0.81 -4.82 105.19 106.02 1cy4 n GLY 344 Ca 0.00 -2.06 0.01 0.00 0.00 0.00 0.00 46.02 43.98 1cy4 n GLY 344 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cy4 h LYS 345 N 0.00 0.04 0.00 1.61 1.63 -1.89 -1.08 116.57 116.87 1cy4 h LYS 345 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1cy4 h LYS 345 Cb 0.00 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1cy4 h LYS 345 CO 0.00 0.02 0.00 0.36 -3.45 0.00 0.00 179.45 176.38 1cy4 n LYS 346 N -5.40 0.08 -0.00 1.90 -0.00 -1.26 -2.13 118.16 111.34 1cy4 n LYS 346 Ca 0.10 0.25 0.09 0.00 -0.00 0.00 0.00 58.31 58.75 1cy4 n LYS 346 Cb 0.37 -1.50 -0.12 0.00 -0.00 0.00 0.00 35.03 33.78 1cy4 n LYS 346 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1cy4 n TYR 347 N -1.39 0.00 -3.28 5.58 4.02 -0.41 -4.71 117.16 116.97 1cy4 n TYR 347 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.50 1cy4 n TYR 347 Cb 0.10 -0.09 -0.08 0.00 -0.02 0.00 0.00 39.34 39.25 1cy4 n TYR 347 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1cy4 s LEU 348 N -3.22 4.92 0.83 7.72 2.96 -0.91 -1.32 118.68 129.67 1cy4 s LEU 348 Ca 0.04 -0.75 -0.13 0.00 -0.22 0.00 0.00 54.13 53.08 1cy4 s LEU 348 Cb 0.14 -2.41 0.07 0.00 0.50 0.00 0.00 46.19 44.49 1cy4 s LEU 348 CO 0.81 -0.65 0.97 -2.65 -1.32 0.00 0.00 176.35 173.50 1cy4 n PRO 349 N 5.71 0.05 0.21 0.98 -0.02 -1.26 -4.91 135.00 135.76 1cy4 n PRO 349 Ca -0.07 0.08 -0.16 0.00 -2.02 0.00 0.00 63.50 61.33 1cy4 n PRO 349 Cb 0.47 -2.25 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 1cy4 n PRO 349 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1cy4 h GLU 350 N -1.05 -0.78 -6.32 -0.52 4.81 -1.97 -3.43 114.58 105.32 1cy4 h GLU 350 Ca -0.45 0.05 -0.61 0.00 -0.13 0.00 0.00 59.36 58.22 1cy4 h GLU 350 Cb 1.30 0.18 -0.14 0.00 0.63 0.00 0.00 28.75 30.72 1cy4 h GLU 350 CO 0.43 -0.52 -0.73 -1.12 -0.73 0.00 0.00 179.01 176.34 1cy4 s SER 351 N -4.56 3.94 0.64 1.04 0.01 -1.26 -5.11 113.70 108.40 1cy4 s SER 351 Ca -0.17 -0.81 -0.18 0.00 1.31 0.00 0.00 55.95 56.10 1cy4 s SER 351 Cb 0.06 -0.52 -0.02 0.00 0.21 0.00 0.00 66.02 65.75 1cy4 s SER 351 CO 0.62 0.06 1.21 -2.65 0.41 0.00 0.00 173.24 172.89 1cy4 n PRO 352 N -0.42 1.04 -2.94 12.44 -0.02 -1.26 -4.96 135.00 138.89 1cy4 n PRO 352 Ca -0.08 0.41 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 1cy4 n PRO 352 Cb 0.58 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 1cy4 n PRO 352 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1cy4 s ASN 353 N -1.36 6.97 -0.29 2.55 0.01 -1.26 -5.03 114.94 116.52 1cy4 s ASN 353 Ca 0.81 1.18 -0.07 0.00 -0.71 0.00 0.00 52.86 54.07 1cy4 s ASN 353 Cb -0.39 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 38.84 1cy4 s ASN 353 CO 0.42 -0.30 0.09 -1.58 -1.51 0.00 0.00 177.10 174.22 1cy4 s GLN 354 N 1.69 3.17 -0.06 -0.60 -0.44 -1.26 -5.00 119.66 117.15 1cy4 s GLN 354 Ca 0.38 -0.81 -0.03 0.00 -2.50 0.00 0.00 55.36 52.41 1cy4 s GLN 354 Cb -0.17 -3.40 -0.04 0.00 -1.64 0.00 0.00 33.01 27.76 1cy4 s GLN 354 CO 0.15 -0.42 0.07 0.71 0.50 0.00 0.00 175.29 176.29 1cy4 s TYR 355 N 1.53 3.33 -0.25 1.67 1.51 -1.26 -5.17 117.35 118.70 1cy4 s TYR 355 Ca 0.03 0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 56.18 1cy4 s TYR 355 Cb -0.17 -1.81 0.07 0.00 -0.11 0.00 0.00 41.96 39.94 1cy4 s TYR 355 CO 0.03 0.57 0.65 0.00 -1.11 0.00 0.00 175.55 175.69 1cy4 s ALA 356 N -1.04 -1.66 0.33 3.71 0.00 -1.26 -4.36 121.76 117.48 1cy4 s ALA 356 Ca 0.17 2.01 0.00 0.00 0.00 0.00 0.00 51.96 54.14 1cy4 s ALA 356 Cb -0.12 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1cy4 s ALA 356 CO 0.07 -0.33 0.00 0.72 0.00 0.00 0.00 175.76 176.22 1cy4 n HIS 365 N 3.32 -2.46 -4.20 0.00 -0.00 -1.26 -4.84 115.22 105.77 1cy4 n HIS 365 Ca -0.16 1.31 -0.12 0.00 -0.00 0.00 0.00 57.72 58.74 1cy4 n HIS 365 Cb 0.56 -2.24 -0.10 0.00 -0.00 0.00 0.00 29.99 28.21 1cy4 n HIS 365 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1cy4 s GLU 366 N -3.42 0.94 1.14 -0.41 2.02 -1.26 -4.62 118.70 113.08 1cy4 s GLU 366 Ca 0.00 -1.40 -0.17 0.00 0.02 0.00 0.00 54.97 53.42 1cy4 s GLU 366 Cb 0.00 -0.28 0.26 0.00 0.10 0.00 0.00 34.13 34.20 1cy4 s GLU 366 CO 0.00 -0.03 1.09 0.00 0.02 0.00 0.00 175.26 176.34 1cy4 s ALA 367 N -3.59 0.58 -0.35 5.21 0.00 -0.40 -4.71 121.76 118.51 1cy4 s ALA 367 Ca 0.16 -0.70 -0.23 0.00 0.00 0.00 0.00 51.96 51.19 1cy4 s ALA 367 Cb 0.05 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.19 1cy4 s ALA 367 CO -0.02 -3.40 0.79 0.42 0.00 0.00 0.00 175.76 173.56 1cy4 s ILE 368 N -2.93 4.74 0.19 0.00 1.01 -0.51 -4.79 121.20 118.91 1cy4 s ILE 368 Ca 0.69 0.99 -0.08 0.00 0.00 0.00 0.00 60.65 62.25 1cy4 s ILE 368 Cb -0.14 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 1cy4 s ILE 368 CO 0.57 -0.38 0.30 0.00 0.00 0.00 0.00 174.94 175.42 1cy4 s ARG 369 N 3.08 1.24 0.69 2.79 1.70 -1.26 -4.12 118.95 123.07 1cy4 s ARG 369 Ca 0.32 -1.26 -0.14 0.00 -0.47 0.00 0.00 55.73 54.17 1cy4 s ARG 369 Cb -0.13 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1cy4 s ARG 369 CO 0.16 -0.46 1.12 -2.14 -1.08 0.00 0.00 175.30 172.90 1cy4 s PRO 370 N -4.01 2.56 0.13 3.89 0.02 -1.26 -1.86 135.00 134.48 1cy4 s PRO 370 Ca 0.22 1.43 0.09 0.00 0.02 0.00 0.00 61.00 62.76 1cy4 s PRO 370 Cb 0.03 -1.92 -0.16 0.00 0.02 0.00 0.00 34.50 32.48 1cy4 s PRO 370 CO 0.04 -1.44 1.23 0.77 -0.33 0.00 0.00 177.00 177.27 1cy4 h SER 371 N -0.23 0.00 -2.88 2.53 0.02 -1.30 -3.43 113.55 108.25 1cy4 h SER 371 Ca -0.46 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.07 1cy4 h SER 371 Cb 1.25 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.40 1cy4 h SER 371 CO 0.53 0.89 -0.71 -0.62 -1.14 0.00 0.00 176.83 175.77 1cy4 s ASP 372 N -6.57 2.06 0.65 3.07 -1.08 -1.26 -5.02 116.67 108.51 1cy4 s ASP 372 Ca 0.01 -0.50 0.42 0.00 -0.52 0.00 0.00 52.55 51.95 1cy4 s ASP 372 Cb 0.09 -0.05 2.26 0.00 -1.46 0.00 0.00 42.92 43.77 1cy4 s ASP 372 CO 0.81 -0.34 2.27 0.58 0.52 0.00 0.00 175.17 179.01 1cy4 h VAL 373 N 6.39 0.00 -0.01 1.11 2.07 -1.94 -1.98 116.25 121.89 1cy4 h VAL 373 Ca -0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1cy4 h VAL 373 Cb 1.15 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1cy4 h VAL 373 CO 0.29 0.00 -0.06 0.59 0.02 0.00 0.00 177.57 178.41 1cy4 n ASN 374 N -3.00 0.58 -4.49 0.57 3.02 -1.26 -4.69 115.26 105.99 1cy4 n ASN 374 Ca -0.03 -0.88 -0.43 0.00 -0.03 0.00 0.00 54.58 53.21 1cy4 n ASN 374 Cb 0.11 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.15 1cy4 n ASN 374 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1cy4 s VAL 375 N -2.25 5.11 0.49 2.41 1.01 -0.75 -5.07 120.40 121.35 1cy4 s VAL 375 Ca 0.35 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1cy4 s VAL 375 Cb 0.21 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1cy4 s VAL 375 CO 0.42 -0.36 0.84 -0.04 0.00 0.00 0.00 175.10 175.97 1cy4 s MET 376 N 2.10 3.64 0.41 2.72 -1.94 -1.26 -4.96 119.30 120.01 1cy4 s MET 376 Ca 0.12 0.43 0.16 0.00 -1.71 0.00 0.00 55.69 54.69 1cy4 s MET 376 Cb -0.17 -2.30 1.03 0.00 2.01 0.00 0.00 34.83 35.40 1cy4 s MET 376 CO 0.13 -0.24 1.87 0.00 -0.01 0.00 0.00 175.02 176.77 1cy4 h ALA 377 N 0.43 2.12 0.00 3.03 0.00 -1.92 0.12 119.26 123.04 1cy4 h ALA 377 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1cy4 h ALA 377 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1cy4 h ALA 377 CO 0.62 -0.39 0.00 0.39 0.00 0.00 0.00 179.25 179.87 1cy4 n GLU 378 N -4.52 0.08 -0.33 0.00 4.71 -1.26 -2.76 120.64 116.56 1cy4 n GLU 378 Ca 0.18 0.30 0.11 0.00 -0.01 0.00 0.00 57.16 57.74 1cy4 n GLU 378 Cb 0.63 -1.65 0.30 0.00 -1.01 0.00 0.00 31.44 29.71 1cy4 n GLU 378 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1cy4 n SER 379 N -1.81 3.68 -4.74 1.62 7.64 0.43 -4.95 113.62 115.49 1cy4 n SER 379 Ca 0.03 -2.00 -0.41 0.00 1.01 0.00 0.00 58.87 57.51 1cy4 n SER 379 Cb 0.21 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 1cy4 n SER 379 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1cy4 s LEU 380 N -1.07 4.54 0.00 -3.43 1.43 -1.11 -4.95 118.68 114.08 1cy4 s LEU 380 Ca 0.46 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1cy4 s LEU 380 Cb 0.24 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1cy4 s LEU 380 CO 0.32 -0.04 0.00 0.29 0.23 0.00 0.00 176.35 177.14 1cy4 n LYS 381 N 2.28 0.00 0.00 1.70 5.02 -1.26 -4.52 118.16 121.38 1cy4 n LYS 381 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1cy4 n LYS 381 Cb 0.48 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 1cy4 n LYS 381 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1cy4 n ASP 382 N -0.40 0.47 -4.37 4.39 2.03 -1.26 -4.82 116.55 112.59 1cy4 n ASP 382 Ca 0.00 -0.59 -0.32 0.00 0.52 0.00 0.00 54.79 54.40 1cy4 n ASP 382 Cb 0.00 -0.15 -0.15 0.00 -0.72 0.00 0.00 41.12 40.10 1cy4 n ASP 382 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1cy4 s MET 383 N -0.49 2.68 0.82 -0.67 -1.94 -1.26 -5.12 119.30 113.32 1cy4 s MET 383 Ca 0.00 -0.79 -0.12 0.00 -1.71 0.00 0.00 55.69 53.08 1cy4 s MET 383 Cb 0.00 -2.33 0.08 0.00 2.01 0.00 0.00 34.83 34.59 1cy4 s MET 383 CO 0.00 0.45 1.10 -1.83 -0.01 0.00 0.00 175.02 174.73 1cy4 s GLU 384 N -0.29 1.91 0.20 2.03 1.03 -1.26 -4.81 118.70 117.52 1cy4 s GLU 384 Ca 0.01 0.58 -0.18 0.00 0.03 0.00 0.00 54.97 55.42 1cy4 s GLU 384 Cb -0.13 -1.90 0.19 0.00 -0.80 0.00 0.00 34.13 31.49 1cy4 s GLU 384 CO 0.03 -1.73 1.59 0.00 -1.33 0.00 0.00 175.26 173.81 1cy4 h ALA 385 N -1.17 0.13 0.00 -0.84 0.00 -2.00 -1.05 119.26 114.34 1cy4 h ALA 385 Ca -0.48 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1cy4 h ALA 385 Cb 1.28 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1cy4 h ALA 385 CO 0.60 -0.60 -0.31 -0.44 0.00 0.00 0.00 179.25 178.50 1cy4 h ASP 386 N -0.10 0.00 1.18 0.00 3.32 -1.99 -0.86 116.42 117.96 1cy4 h ASP 386 Ca 0.28 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 1cy4 h ASP 386 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1cy4 h ASP 386 CO -0.74 0.31 -0.14 0.00 -1.72 0.00 0.00 179.24 176.96 1cy4 h ALA 387 N 1.69 0.98 0.23 3.45 0.00 -1.57 -1.95 119.26 122.09 1cy4 h ALA 387 Ca -0.00 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.44 1cy4 h ALA 387 Cb 0.57 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.36 1cy4 h ALA 387 CO 0.04 0.17 -1.57 1.96 0.00 0.00 0.00 179.25 179.84 1cy4 h GLN 388 N 0.00 0.48 -0.92 0.00 4.20 -0.61 -2.91 115.11 115.37 1cy4 h GLN 388 Ca -0.00 -0.83 -0.01 0.00 0.06 0.00 0.00 58.65 57.87 1cy4 h GLN 388 Cb 0.76 0.31 -0.04 0.00 0.30 0.00 0.00 27.48 28.80 1cy4 h GLN 388 CO 0.02 1.39 0.53 0.87 -0.67 0.00 0.00 178.83 180.97 1cy4 h LYS 389 N 0.13 1.26 -0.52 1.46 1.57 -0.98 0.80 116.57 120.30 1cy4 h LYS 389 Ca -0.29 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.28 1cy4 h LYS 389 Cb 2.14 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 34.18 1cy4 h LYS 389 CO 0.24 0.90 0.00 1.25 -0.57 0.00 0.00 179.45 181.27 1cy4 h LEU 390 N 1.27 0.90 -0.52 2.94 5.85 -1.44 -0.94 115.31 123.37 1cy4 h LEU 390 Ca 0.33 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1cy4 h LEU 390 Cb -0.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1cy4 h LEU 390 CO -0.06 0.98 0.25 0.22 -0.34 0.00 0.00 178.44 179.49 1cy4 h TYR 391 N 0.78 0.76 -0.62 1.25 3.20 -1.22 -0.75 116.97 120.38 1cy4 h TYR 391 Ca 0.15 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1cy4 h TYR 391 Cb 0.52 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 1cy4 h TYR 391 CO 0.04 0.60 0.34 0.37 -1.64 0.00 0.00 178.16 177.86 1cy4 h GLN 392 N 0.70 0.61 -0.58 1.82 4.15 -0.47 0.22 115.11 121.57 1cy4 h GLN 392 Ca 0.18 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1cy4 h GLN 392 Cb 0.13 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 1cy4 h GLN 392 CO -0.02 0.40 0.32 1.25 -1.93 0.00 0.00 178.83 178.85 1cy4 h LEU 393 N 0.63 0.72 -0.56 -2.39 5.85 -0.76 0.52 115.31 119.31 1cy4 h LEU 393 Ca 0.28 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1cy4 h LEU 393 Cb 0.17 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1cy4 h LEU 393 CO -0.18 0.60 -0.01 0.40 -0.34 0.00 0.00 178.44 178.92 1cy4 h ILE 394 N 0.78 1.27 0.01 4.05 2.04 -0.39 -2.43 117.51 122.84 1cy4 h ILE 394 Ca 0.20 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1cy4 h ILE 394 Cb 0.04 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1cy4 h ILE 394 CO -0.03 0.41 -0.01 -0.25 0.00 0.00 0.00 178.15 178.27 1cy4 h TRP 395 N 0.88 -0.01 -0.35 1.37 7.01 -0.29 -2.06 115.95 122.49 1cy4 h TRP 395 Ca 0.16 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.18 1cy4 h TRP 395 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.59 1cy4 h TRP 395 CO 0.04 0.16 0.18 0.00 -2.79 0.00 0.00 178.44 176.03 1cy4 h ARG 396 N -0.19 0.36 -0.60 2.65 3.08 -0.87 -1.03 114.38 117.79 1cy4 h ARG 396 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1cy4 h ARG 396 Cb 0.18 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1cy4 h ARG 396 CO 0.00 0.24 0.39 0.37 -1.07 0.00 0.00 179.97 179.90 1cy4 h GLN 397 N 0.37 0.80 0.20 0.04 5.75 -1.40 0.91 115.11 121.78 1cy4 h GLN 397 Ca 0.15 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 1cy4 h GLN 397 Cb 0.05 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.42 1cy4 h GLN 397 CO -0.10 0.54 -0.10 0.35 -2.65 0.00 0.00 178.83 176.87 1cy4 h PHE 398 N 0.81 -0.25 -0.39 3.99 3.57 -1.08 -0.84 116.94 122.74 1cy4 h PHE 398 Ca 0.22 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1cy4 h PHE 398 Cb -0.08 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1cy4 h PHE 398 CO -0.03 -0.03 0.25 0.28 -2.23 0.00 0.00 178.31 176.55 1cy4 h VAL 399 N -0.44 1.11 -0.95 1.41 2.07 -1.09 -2.97 116.25 115.39 1cy4 h VAL 399 Ca -0.03 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1cy4 h VAL 399 Cb 0.34 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1cy4 h VAL 399 CO 0.05 0.11 0.57 0.00 0.02 0.00 0.00 177.57 178.32 1cy4 h ALA 400 N 1.12 1.21 0.00 1.67 0.00 -0.76 -2.46 119.26 120.05 1cy4 h ALA 400 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cy4 h ALA 400 Cb -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.38 1cy4 h ALA 400 CO -0.03 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1cy4 n GLN 402 N -2.29 2.93 -3.99 0.00 1.13 -0.93 -4.74 117.38 109.49 1cy4 n GLN 402 Ca 0.00 -2.39 -0.21 0.00 -1.94 0.00 0.00 57.00 52.46 1cy4 n GLN 402 Cb 0.12 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 1cy4 n GLN 402 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1cy4 s MET 403 N -1.21 3.12 0.94 -1.09 -1.94 -0.74 -4.38 119.30 114.00 1cy4 s MET 403 Ca 0.36 -0.96 -0.11 0.00 -1.71 0.00 0.00 55.69 53.27 1cy4 s MET 403 Cb 0.20 -2.70 0.15 0.00 2.01 0.00 0.00 34.83 34.49 1cy4 s MET 403 CO 0.22 0.36 1.10 0.95 -0.01 0.00 0.00 175.02 177.64 1cy4 s THR 404 N -2.09 2.44 0.59 2.05 -4.23 -0.43 -4.70 115.64 109.25 1cy4 s THR 404 Ca 0.35 0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 60.91 1cy4 s THR 404 Cb -0.08 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 1cy4 s THR 404 CO 0.27 -0.18 0.95 -2.16 -0.54 0.00 0.00 174.62 172.96 1cy4 s PRO 405 N -4.74 3.42 0.32 3.99 0.04 -1.26 -0.95 135.00 135.82 1cy4 s PRO 405 Ca 0.65 0.47 -0.25 0.00 0.04 0.00 0.00 61.00 61.91 1cy4 s PRO 405 Cb -0.21 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 1cy4 s PRO 405 CO 0.59 -0.53 0.92 0.00 0.04 0.00 0.00 177.00 178.01 1cy4 s ALA 406 N -3.05 3.21 -0.09 8.56 0.00 -0.88 -4.39 121.76 125.13 1cy4 s ALA 406 Ca 0.53 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.97 1cy4 s ALA 406 Cb -0.11 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1cy4 s ALA 406 CO 0.50 0.19 -0.11 0.15 0.00 0.00 0.00 175.76 176.49 1cy4 s LYS 407 N -2.19 2.93 0.14 0.00 1.02 0.73 -2.19 119.74 120.19 1cy4 s LYS 407 Ca 0.51 -0.64 0.04 0.00 0.02 0.00 0.00 55.97 55.90 1cy4 s LYS 407 Cb -0.17 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1cy4 s LYS 407 CO 0.22 0.47 -0.10 0.71 -0.92 0.00 0.00 175.35 175.73 1cy4 s TYR 408 N -0.32 1.24 -0.41 3.18 1.51 0.87 -0.52 117.35 122.90 1cy4 s TYR 408 Ca 0.03 -0.74 0.02 0.00 -1.01 0.00 0.00 57.07 55.38 1cy4 s TYR 408 Cb -0.13 -0.64 0.11 0.00 -0.11 0.00 0.00 41.96 41.20 1cy4 s TYR 408 CO 0.02 0.07 0.15 -0.51 -1.11 0.00 0.00 175.55 174.18 1cy4 s ASP 409 N -3.05 4.79 0.29 2.29 1.01 0.25 -0.45 116.67 121.80 1cy4 s ASP 409 Ca 0.15 -2.38 -0.23 0.00 0.71 0.00 0.00 52.55 50.80 1cy4 s ASP 409 Cb 0.02 -1.68 -0.09 0.00 1.01 0.00 0.00 42.92 42.17 1cy4 s ASP 409 CO 0.01 -0.37 0.85 -0.44 0.21 0.00 0.00 175.17 175.42 1cy4 s SER 410 N 0.78 7.19 -0.05 0.27 0.01 0.02 -2.60 113.70 119.31 1cy4 s SER 410 Ca 0.12 1.64 0.03 0.00 1.31 0.00 0.00 55.95 59.05 1cy4 s SER 410 Cb -0.21 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.52 1cy4 s SER 410 CO -0.05 -0.04 -0.11 -0.89 0.41 0.00 0.00 173.24 172.55 1cy4 s THR 411 N -1.61 1.01 -0.24 1.44 2.01 0.25 -1.12 115.64 117.38 1cy4 s THR 411 Ca 0.48 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1cy4 s THR 411 Cb -0.17 -0.91 0.07 0.00 0.01 0.00 0.00 72.50 71.50 1cy4 s THR 411 CO 0.22 0.32 0.01 -0.89 -0.69 0.00 0.00 174.62 173.59 1cy4 s THR 412 N 0.41 1.06 -0.18 -0.82 2.01 -0.24 -1.85 115.64 116.02 1cy4 s THR 412 Ca -0.08 -1.05 -0.12 0.00 0.31 0.00 0.00 61.69 60.75 1cy4 s THR 412 Cb -0.12 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 1cy4 s THR 412 CO 0.02 -0.27 0.23 -0.76 -0.69 0.00 0.00 174.62 173.15 1cy4 s LEU 413 N 1.59 4.22 -0.18 4.42 1.43 -0.86 -2.22 118.68 127.09 1cy4 s LEU 413 Ca -0.00 0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1cy4 s LEU 413 Cb -0.18 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1cy4 s LEU 413 CO -0.10 0.12 -0.05 -0.89 0.23 0.00 0.00 176.35 175.66 1cy4 s THR 414 N 0.51 3.58 -0.10 5.49 2.01 0.18 -1.84 115.64 125.46 1cy4 s THR 414 Ca 0.13 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1cy4 s THR 414 Cb -0.12 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1cy4 s THR 414 CO 0.02 0.46 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.57 1cy4 s VAL 415 N 0.86 2.88 0.04 3.82 1.01 0.63 -1.00 120.40 128.65 1cy4 s VAL 415 Ca -0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1cy4 s VAL 415 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1cy4 s VAL 415 CO 0.01 0.55 0.21 -0.83 0.00 0.00 0.00 175.10 175.04 1cy4 s GLY 416 N -0.00 2.19 -0.31 4.51 0.00 0.11 0.69 107.32 114.50 1cy4 s GLY 416 Ca -0.05 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.90 1cy4 s GLY 416 CO 0.04 -0.77 0.66 0.00 0.00 0.00 0.00 173.10 173.03 1cy4 s ALA 417 N -1.47 -2.62 0.00 3.20 0.00 -0.29 -1.05 121.76 119.53 1cy4 s ALA 417 Ca 0.33 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1cy4 s ALA 417 Cb -0.13 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1cy4 s ALA 417 CO 0.26 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.48 1cy4 n GLY 418 N 5.18 3.12 0.63 0.00 0.00 -1.26 -0.50 105.19 112.35 1cy4 n GLY 418 Ca 0.07 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.87 1cy4 n GLY 418 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cy4 n ASP 419 N 3.63 1.79 -4.83 1.61 8.00 -1.26 -4.87 116.55 120.62 1cy4 n ASP 419 Ca 0.00 -2.08 -0.30 0.00 0.71 0.00 0.00 54.79 53.12 1cy4 n ASP 419 Cb 0.00 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 1cy4 n ASP 419 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cy4 s PHE 420 N -1.64 3.30 -0.12 1.24 0.40 0.34 -1.01 117.98 120.49 1cy4 s PHE 420 Ca 0.19 0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.64 1cy4 s PHE 420 Cb 0.11 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 42.01 1cy4 s PHE 420 CO 0.11 0.54 -0.09 0.50 0.70 0.00 0.00 175.22 176.98 1cy4 s ARG 421 N -2.53 1.66 0.30 0.44 3.52 -0.63 -1.13 118.95 120.58 1cy4 s ARG 421 Ca 0.31 -0.31 0.09 0.00 -0.13 0.00 0.00 55.73 55.70 1cy4 s ARG 421 Cb -0.12 -1.67 -0.05 0.00 -1.56 0.00 0.00 34.95 31.56 1cy4 s ARG 421 CO 0.24 -0.26 0.03 -0.51 -0.81 0.00 0.00 175.30 174.00 1cy4 s LEU 422 N 1.65 3.15 0.05 -0.88 1.02 0.22 -1.31 118.68 122.58 1cy4 s LEU 422 Ca 0.05 -0.76 0.01 0.00 0.02 0.00 0.00 54.13 53.44 1cy4 s LEU 422 Cb -0.13 -1.63 -0.03 0.00 0.02 0.00 0.00 46.19 44.43 1cy4 s LEU 422 CO -0.08 -0.13 -0.06 -0.75 0.02 0.00 0.00 176.35 175.35 1cy4 s LYS 423 N -3.73 0.53 -0.01 1.70 2.20 0.17 -0.27 119.74 120.34 1cy4 s LYS 423 Ca 0.34 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1cy4 s LYS 423 Cb -0.04 -0.11 0.01 0.00 -1.51 0.00 0.00 37.83 36.18 1cy4 s LYS 423 CO 0.20 -0.01 0.01 0.00 -0.36 0.00 0.00 175.35 175.20 1cy4 s ALA 424 N -2.07 0.09 0.02 3.13 0.00 -0.77 -1.24 121.76 120.93 1cy4 s ALA 424 Ca -0.06 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.09 1cy4 s ALA 424 Cb -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1cy4 s ALA 424 CO -0.02 -0.04 -0.16 1.03 0.00 0.00 0.00 175.76 176.57 1cy4 s ARG 425 N 0.53 2.21 -0.17 0.00 1.81 -1.26 -2.02 118.95 120.05 1cy4 s ARG 425 Ca -0.05 -0.90 -0.20 0.00 -1.72 0.00 0.00 55.73 52.87 1cy4 s ARG 425 Cb -0.07 -2.26 0.05 0.00 -0.45 0.00 0.00 34.95 32.22 1cy4 s ARG 425 CO -0.01 0.56 0.53 0.20 -0.68 0.00 0.00 175.30 175.90 1cy4 s GLY 426 N -1.34 -0.40 -0.01 -3.53 0.00 -0.77 -4.77 107.32 96.51 1cy4 s GLY 426 Ca 0.15 1.39 0.01 0.00 0.00 0.00 0.00 44.72 46.26 1cy4 s GLY 426 CO 0.05 1.16 -0.02 -1.60 0.00 0.00 0.00 173.10 172.69 1cy4 s ARG 427 N -0.02 0.22 -0.08 2.90 3.52 -1.26 -0.58 118.95 123.64 1cy4 s ARG 427 Ca -0.02 -0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.53 1cy4 s ARG 427 Cb -0.04 -0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.12 1cy4 s ARG 427 CO 0.02 0.03 -0.14 0.42 -0.81 0.00 0.00 175.30 174.81 1cy4 s ILE 428 N 0.11 1.35 0.11 4.11 -1.09 -1.07 -4.22 121.20 120.50 1cy4 s ILE 428 Ca -0.01 -0.58 -0.31 0.00 -2.23 0.00 0.00 60.65 57.52 1cy4 s ILE 428 Cb -0.03 -1.23 -0.07 0.00 -1.58 0.00 0.00 42.46 39.55 1cy4 s ILE 428 CO -0.00 0.41 1.27 -0.22 -1.23 0.00 0.00 174.94 175.17 1cy4 s LEU 429 N 0.76 4.39 -0.08 2.97 2.96 -1.26 -0.58 118.68 127.83 1cy4 s LEU 429 Ca -0.12 2.19 0.06 0.00 -0.22 0.00 0.00 54.13 56.04 1cy4 s LEU 429 Cb -0.16 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.85 1cy4 s LEU 429 CO 0.02 -0.52 0.00 -2.11 -1.32 0.00 0.00 176.35 172.43 1cy4 n ARG 430 N 3.57 2.20 -3.47 1.98 1.85 0.32 -4.92 116.66 118.19 1cy4 n ARG 430 Ca 0.09 0.01 -0.08 0.00 -1.00 0.00 0.00 57.85 56.87 1cy4 n ARG 430 Cb 0.44 -1.20 -0.08 0.00 -1.05 0.00 0.00 32.46 30.57 1cy4 n ARG 430 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1cy4 s PHE 431 N -2.19 -0.86 0.44 2.89 5.36 -1.00 -4.95 117.98 117.65 1cy4 s PHE 431 Ca -0.06 1.19 0.11 0.00 -0.96 0.00 0.00 56.93 57.22 1cy4 s PHE 431 Cb 0.03 0.18 0.96 0.00 -0.34 0.00 0.00 43.02 43.85 1cy4 s PHE 431 CO 0.30 -0.63 2.02 0.38 -1.46 0.00 0.00 175.22 175.84 1cy4 h ASP 432 N 8.17 0.19 0.00 6.13 3.04 -1.91 0.21 116.42 132.24 1cy4 h ASP 432 Ca -0.18 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.59 1cy4 h ASP 432 Cb 1.14 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 1cy4 h ASP 432 CO 0.21 0.24 0.00 0.61 -2.04 0.00 0.00 179.24 178.26 1cy4 n GLY 433 N -1.21 3.11 0.34 7.15 0.00 -1.26 -1.88 105.19 111.45 1cy4 n GLY 433 Ca -0.01 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.10 1cy4 n GLY 433 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1cy4 h TRP 434 N 0.00 0.00 0.00 1.61 5.08 -1.29 -1.53 115.95 119.82 1cy4 h TRP 434 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1cy4 h TRP 434 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1cy4 h TRP 434 CO 0.00 0.00 0.00 0.25 -1.28 0.00 0.00 178.44 177.41 1cy4 n THR 435 N -4.35 1.44 -0.07 0.12 -2.24 -0.79 -2.46 114.28 105.93 1cy4 n THR 435 Ca 0.05 0.36 0.03 0.00 -2.27 0.00 0.00 64.05 62.22 1cy4 n THR 435 Cb 0.42 -1.29 0.36 0.00 -2.10 0.00 0.00 70.33 67.72 1cy4 n THR 435 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1cy4 h LYS 436 N 0.00 0.69 -0.00 -0.78 3.11 -1.44 -2.12 116.57 116.03 1cy4 h LYS 436 Ca 0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1cy4 h LYS 436 Cb 0.06 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.13 1cy4 h LYS 436 CO 0.00 0.46 -0.01 1.33 -2.81 0.00 0.00 179.45 178.42 1cy4 n VAL 437 N -4.45 0.00 -3.97 2.00 0.24 -1.03 -4.83 118.33 106.29 1cy4 n VAL 437 Ca 0.05 -0.06 -0.23 0.00 -2.04 0.00 0.00 64.34 62.06 1cy4 n VAL 437 Cb 0.05 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.15 1cy4 n VAL 437 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1cy4 s MET 438 N -2.11 3.41 0.52 7.34 -1.94 -0.80 -4.94 119.30 120.78 1cy4 s MET 438 Ca 0.42 -0.71 -0.20 0.00 -1.71 0.00 0.00 55.69 53.49 1cy4 s MET 438 Cb 0.21 -2.90 -0.09 0.00 2.01 0.00 0.00 34.83 34.06 1cy4 s MET 438 CO 0.39 0.47 0.73 -2.30 -0.01 0.00 0.00 175.02 174.29 1cy4 n PRO 439 N -1.05 0.79 -1.49 2.03 -0.02 -1.26 -4.90 135.00 129.09 1cy4 n PRO 439 Ca -0.08 0.30 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 1cy4 n PRO 439 Cb 0.56 -1.85 0.09 0.00 -0.02 0.00 0.00 33.50 32.28 1cy4 n PRO 439 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cy4 n ALA 440 N -1.31 0.57 -1.00 3.55 0.00 -1.26 -5.06 120.51 116.00 1cy4 n ALA 440 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1cy4 n ALA 440 Cb 0.44 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1cy4 n ALA 440 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cy4 n LEU 441 N -2.21 0.00 0.00 0.00 4.32 -1.26 -5.26 117.00 112.59 1cy4 n LEU 441 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1cy4 n LEU 441 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1cy4 n LEU 441 CO 0.48 0.00 0.00 2.30 -1.22 0.00 0.00 177.39 178.95 1cy4 n ILE 449 N 0.00 0.00 -2.51 -0.08 -6.64 -1.26 -5.32 119.36 103.55 1cy4 n ILE 449 Ca 0.00 0.00 -0.39 0.00 -1.77 0.00 0.00 62.75 60.59 1cy4 n ILE 449 Cb 0.00 0.00 -0.04 0.00 -1.44 0.00 0.00 39.64 38.16 1cy4 n ILE 449 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 1cy4 s LEU 450 N 0.00 4.46 0.00 7.28 1.43 -1.26 -5.04 118.68 125.55 1cy4 s LEU 450 Ca 0.00 2.19 -0.08 0.00 -1.03 0.00 0.00 54.13 55.21 1cy4 s LEU 450 Cb 0.00 -3.75 0.13 0.00 0.03 0.00 0.00 46.19 42.59 1cy4 s LEU 450 CO 0.00 -0.20 0.29 -2.65 0.23 0.00 0.00 176.35 174.02 1cy4 n PRO 451 N 0.92 -2.20 -3.64 1.29 -0.02 -1.26 -4.96 135.00 125.13 1cy4 n PRO 451 Ca 0.00 -0.49 -0.38 0.00 -2.02 0.00 0.00 63.50 60.61 1cy4 n PRO 451 Cb 0.46 -0.71 -0.11 0.00 -0.02 0.00 0.00 33.50 33.11 1cy4 n PRO 451 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cy4 s ALA 452 N -2.04 3.36 -0.13 3.55 0.00 -1.26 -5.06 121.76 120.18 1cy4 s ALA 452 Ca 0.22 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 1cy4 s ALA 452 Cb -0.04 -2.39 0.04 0.00 0.00 0.00 0.00 23.12 20.72 1cy4 s ALA 452 CO 0.19 -0.73 0.36 0.14 0.00 0.00 0.00 175.76 175.72 1cy4 s VAL 453 N 1.67 0.00 0.23 0.00 -7.23 -1.26 -4.92 120.40 108.89 1cy4 s VAL 453 Ca 0.06 -0.01 0.06 0.00 -1.81 0.00 0.00 61.98 60.28 1cy4 s VAL 453 Cb -0.16 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 1cy4 s VAL 453 CO 0.08 -0.00 0.24 0.20 -0.31 0.00 0.00 175.10 175.31 1cy4 s ASN 454 N 0.17 5.81 0.26 4.85 0.02 -1.26 -5.03 114.94 119.76 1cy4 s ASN 454 Ca -0.00 -0.12 -0.31 0.00 -1.02 0.00 0.00 52.86 51.41 1cy4 s ASN 454 Cb -0.03 -1.57 -0.12 0.00 0.02 0.00 0.00 41.25 39.55 1cy4 s ASN 454 CO 0.01 -0.03 1.53 1.17 0.02 0.00 0.00 177.10 179.79 1cy4 n LYS 455 N -1.11 2.41 -0.08 -0.60 4.81 -1.26 -2.16 118.16 120.16 1cy4 n LYS 455 Ca -0.08 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1cy4 n LYS 455 Cb 0.57 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 33.03 1cy4 n LYS 455 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cy4 n GLY 456 N 2.35 0.61 3.78 3.14 0.00 0.06 -5.01 105.19 110.11 1cy4 n GLY 456 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1cy4 n GLY 456 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cy4 s ASP 457 N -2.64 6.33 -0.06 1.61 1.01 -0.92 -4.71 116.67 117.30 1cy4 s ASP 457 Ca 0.00 2.07 -0.15 0.00 0.71 0.00 0.00 52.55 55.18 1cy4 s ASP 457 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1cy4 s ASP 457 CO 0.00 -0.79 0.39 0.00 0.21 0.00 0.00 175.17 174.97 1cy4 s ALA 458 N -1.77 3.65 0.11 5.23 0.00 -1.26 -0.92 121.76 126.80 1cy4 s ALA 458 Ca 0.65 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.40 1cy4 s ALA 458 Cb -0.21 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 1cy4 s ALA 458 CO 0.26 0.33 -0.07 -0.51 0.00 0.00 0.00 175.76 175.77 1cy4 s LEU 459 N -0.50 3.13 -0.16 0.00 1.43 -0.63 -3.91 118.68 118.04 1cy4 s LEU 459 Ca 0.22 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1cy4 s LEU 459 Cb -0.15 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1cy4 s LEU 459 CO 0.11 0.16 -0.01 -0.89 0.23 0.00 0.00 176.35 175.95 1cy4 s THR 460 N -1.30 4.10 0.15 5.49 2.01 -0.67 -4.24 115.64 121.19 1cy4 s THR 460 Ca 0.23 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 1cy4 s THR 460 Cb -0.11 -2.81 -0.07 0.00 0.01 0.00 0.00 72.50 69.52 1cy4 s THR 460 CO 0.15 0.48 1.12 -0.22 -0.69 0.00 0.00 174.62 175.46 1cy4 s LEU 461 N 0.39 4.46 -0.06 4.42 2.96 -1.26 -1.17 118.68 128.41 1cy4 s LEU 461 Ca -0.02 2.07 -0.00 0.00 -0.22 0.00 0.00 54.13 55.96 1cy4 s LEU 461 Cb -0.14 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1cy4 s LEU 461 CO 0.02 -0.28 -0.06 0.52 -1.32 0.00 0.00 176.35 175.23 1cy4 n VAL 462 N 2.71 0.36 -3.52 1.68 0.31 0.67 -4.96 118.33 115.58 1cy4 n VAL 462 Ca 0.04 -0.13 -0.18 0.00 -0.01 0.00 0.00 64.34 64.06 1cy4 n VAL 462 Cb 0.46 -0.88 -0.06 0.00 -0.91 0.00 0.00 33.84 32.45 1cy4 n VAL 462 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1cy4 s GLU 463 N -2.13 1.03 -0.15 5.55 2.56 -1.12 -5.00 118.70 119.46 1cy4 s GLU 463 Ca -0.09 0.26 0.01 0.00 0.00 0.00 0.00 54.97 55.15 1cy4 s GLU 463 Cb 0.02 0.49 0.00 0.00 2.00 0.00 0.00 34.13 36.64 1cy4 s GLU 463 CO 0.14 -0.32 -0.17 -0.51 -0.56 0.00 0.00 175.26 173.84 1cy4 s LEU 464 N -1.18 2.36 -0.26 2.70 1.43 -1.26 -1.15 118.68 121.32 1cy4 s LEU 464 Ca -0.10 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1cy4 s LEU 464 Cb -0.00 -1.52 0.06 0.00 0.03 0.00 0.00 46.19 44.76 1cy4 s LEU 464 CO 0.10 0.09 -0.09 -0.89 0.23 0.00 0.00 176.35 175.78 1cy4 s THR 465 N 0.79 2.03 0.26 5.49 2.01 -0.59 -5.00 115.64 120.64 1cy4 s THR 465 Ca -0.06 -1.59 -0.14 0.00 0.31 0.00 0.00 61.69 60.21 1cy4 s THR 465 Cb -0.15 -2.19 -0.08 0.00 0.01 0.00 0.00 72.50 70.08 1cy4 s THR 465 CO -0.00 -0.08 0.66 -2.16 -0.69 0.00 0.00 174.62 172.34 1cy4 s PRO 466 N 1.16 3.96 -0.07 4.92 0.04 -1.26 -1.48 135.00 142.26 1cy4 s PRO 466 Ca -0.07 0.54 -0.04 0.00 0.04 0.00 0.00 61.00 61.47 1cy4 s PRO 466 Cb -0.20 -2.60 0.03 0.00 0.04 0.00 0.00 34.50 31.78 1cy4 s PRO 466 CO -0.06 0.26 0.17 0.00 0.04 0.00 0.00 177.00 177.42 1cy4 s ALA 467 N -1.83 -0.37 -0.09 8.56 0.00 -0.74 -5.00 121.76 122.29 1cy4 s ALA 467 Ca 0.49 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 1cy4 s ALA 467 Cb -0.12 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1cy4 s ALA 467 CO 0.19 -0.14 0.28 -1.14 0.00 0.00 0.00 175.76 174.95 1cy4 s GLN 468 N 0.83 3.87 0.40 0.00 0.74 -1.26 -2.12 119.66 122.12 1cy4 s GLN 468 Ca -0.06 0.12 0.04 0.00 0.05 0.00 0.00 55.36 55.51 1cy4 s GLN 468 Cb -0.08 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 1cy4 s GLN 468 CO -0.04 0.57 0.15 0.72 -0.55 0.00 0.00 175.29 176.13 1cy4 n HIS 469 N 2.46 0.12 -3.65 1.67 8.25 -0.83 -5.03 115.22 118.21 1cy4 n HIS 469 Ca -0.15 -2.61 -0.11 0.00 -0.26 0.00 0.00 57.72 54.59 1cy4 n HIS 469 Cb 0.53 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.56 1cy4 n HIS 469 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1cy4 s PHE 470 N -3.08 -0.82 0.51 4.41 -0.12 -1.26 -2.77 117.98 114.86 1cy4 s PHE 470 Ca 0.21 1.82 -0.22 0.00 -0.05 0.00 0.00 56.93 58.69 1cy4 s PHE 470 Cb 0.01 0.38 -0.07 0.00 -0.63 0.00 0.00 43.02 42.71 1cy4 s PHE 470 CO 0.15 -0.40 1.14 0.25 -0.05 0.00 0.00 175.22 176.31 1cy4 n THR 471 N 3.44 3.20 -4.01 -4.49 -2.24 -0.30 -4.85 114.28 105.04 1cy4 n THR 471 Ca -0.17 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 60.84 1cy4 n THR 471 Cb 0.57 -1.38 -0.05 0.00 -2.10 0.00 0.00 70.33 67.37 1cy4 n THR 471 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1cy4 s LYS 472 N -2.51 3.15 0.85 -0.78 -0.14 -1.26 -4.24 119.74 114.82 1cy4 s LYS 472 Ca 0.69 -0.70 -0.12 0.00 -1.36 0.00 0.00 55.97 54.47 1cy4 s LYS 472 Cb -0.47 -2.81 0.10 0.00 -1.68 0.00 0.00 37.83 32.97 1cy4 s LYS 472 CO 0.52 0.52 1.15 -1.25 -0.76 0.00 0.00 175.35 175.53 1cy4 s PRO 473 N -3.00 1.67 0.42 -1.68 0.04 -1.26 -4.98 135.00 126.21 1cy4 s PRO 473 Ca 0.32 0.26 -0.26 0.00 0.04 0.00 0.00 61.00 61.36 1cy4 s PRO 473 Cb -0.11 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1cy4 s PRO 473 CO 0.26 -1.83 1.39 -2.30 0.04 0.00 0.00 177.00 174.56 1cy4 n PRO 474 N -3.50 2.23 -2.21 0.56 -0.02 -1.26 -4.95 135.00 125.85 1cy4 n PRO 474 Ca 0.07 0.79 -0.36 0.00 -2.02 0.00 0.00 63.50 61.99 1cy4 n PRO 474 Cb 0.60 -2.55 0.01 0.00 -0.02 0.00 0.00 33.50 31.53 1cy4 n PRO 474 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cy4 s ALA 475 N -1.17 2.72 0.53 3.55 0.00 -1.26 -4.86 121.76 121.27 1cy4 s ALA 475 Ca 0.59 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 53.26 1cy4 s ALA 475 Cb -0.48 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.19 1cy4 s ALA 475 CO 0.59 -0.83 1.03 1.03 0.00 0.00 0.00 175.76 177.58 1cy4 s ARG 476 N -3.19 3.65 0.51 0.00 0.52 -1.26 -5.02 118.95 114.16 1cy4 s ARG 476 Ca 0.72 1.19 -0.19 0.00 -0.52 0.00 0.00 55.73 56.93 1cy4 s ARG 476 Cb -0.26 -2.08 -0.07 0.00 0.52 0.00 0.00 34.95 33.05 1cy4 s ARG 476 CO 0.30 -0.53 1.05 -0.06 0.02 0.00 0.00 175.30 176.08 1cy4 s PHE 477 N -2.34 2.95 0.39 -0.53 0.08 -1.26 -4.89 117.98 112.38 1cy4 s PHE 477 Ca 0.64 1.56 0.08 0.00 0.12 0.00 0.00 56.93 59.32 1cy4 s PHE 477 Cb -0.14 -3.09 -0.05 0.00 -0.57 0.00 0.00 43.02 39.17 1cy4 s PHE 477 CO 0.29 -0.99 0.17 -1.54 -0.10 0.00 0.00 175.22 173.05 1cy4 s SER 478 N -2.10 4.53 0.12 1.36 1.04 -1.26 -1.25 113.70 116.15 1cy4 s SER 478 Ca 0.67 -0.96 -0.21 0.00 0.48 0.00 0.00 55.95 55.94 1cy4 s SER 478 Cb -0.17 -0.56 -0.04 0.00 0.10 0.00 0.00 66.02 65.34 1cy4 s SER 478 CO 0.24 -0.46 1.70 -0.33 0.98 0.00 0.00 173.24 175.37 1cy4 h GLU 479 N 1.45 -0.06 -0.53 4.02 5.08 -1.97 0.85 114.58 123.43 1cy4 h GLU 479 Ca -0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1cy4 h GLU 479 Cb 1.25 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1cy4 h GLU 479 CO 0.67 -0.04 0.28 0.00 -1.00 0.00 0.00 179.01 178.92 1cy4 h ALA 480 N 1.07 0.68 -0.66 3.43 0.00 -1.93 -2.08 119.26 119.76 1cy4 h ALA 480 Ca 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1cy4 h ALA 480 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1cy4 h ALA 480 CO -0.18 0.20 0.30 0.77 0.00 0.00 0.00 179.25 180.34 1cy4 h SER 481 N 0.71 0.86 -0.58 0.00 0.02 -1.86 0.73 113.55 113.43 1cy4 h SER 481 Ca 0.19 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1cy4 h SER 481 Cb 0.06 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1cy4 h SER 481 CO -0.03 0.74 0.20 0.25 -1.14 0.00 0.00 176.83 176.85 1cy4 h LEU 482 N 0.94 0.83 -0.67 5.07 5.85 -0.52 0.77 115.31 127.59 1cy4 h LEU 482 Ca 0.23 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1cy4 h LEU 482 Cb 0.12 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1cy4 h LEU 482 CO -0.03 0.80 0.36 0.58 -0.34 0.00 0.00 178.44 179.82 1cy4 h VAL 483 N 0.82 1.21 -0.60 1.05 2.07 -0.72 0.69 116.25 120.76 1cy4 h VAL 483 Ca 0.19 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.24 1cy4 h VAL 483 Cb 0.25 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1cy4 h VAL 483 CO -0.01 0.23 0.31 0.50 0.02 0.00 0.00 177.57 178.62 1cy4 h LYS 484 N 0.91 0.56 -0.66 1.57 3.64 -0.12 0.84 116.57 123.31 1cy4 h LYS 484 Ca 0.23 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1cy4 h LYS 484 Cb 0.04 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1cy4 h LYS 484 CO -0.04 0.37 0.16 1.49 -2.27 0.00 0.00 179.45 179.16 1cy4 h GLU 485 N 0.57 1.06 -0.58 1.90 4.57 -0.19 -1.10 114.58 120.81 1cy4 h GLU 485 Ca 0.27 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1cy4 h GLU 485 Cb 0.20 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1cy4 h GLU 485 CO -0.19 0.95 0.32 -0.07 -1.18 0.00 0.00 179.01 178.83 1cy4 h LEU 486 N 0.98 0.72 -0.35 1.64 3.38 0.21 -2.05 115.31 119.85 1cy4 h LEU 486 Ca 0.21 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1cy4 h LEU 486 Cb 0.37 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1cy4 h LEU 486 CO 0.00 0.60 0.01 -0.08 0.09 0.00 0.00 178.44 179.06 1cy4 h GLU 487 N 0.78 0.61 -0.99 1.13 4.81 -0.66 0.21 114.58 120.46 1cy4 h GLU 487 Ca 0.20 -0.19 0.19 0.00 -0.13 0.00 0.00 59.36 59.44 1cy4 h GLU 487 Cb 0.04 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.27 1cy4 h GLU 487 CO -0.03 0.72 0.61 -0.22 -0.73 0.00 0.00 179.01 179.36 1cy4 h LYS 488 N 0.42 0.68 -0.05 1.92 3.64 -0.93 0.19 116.57 122.44 1cy4 h LYS 488 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1cy4 h LYS 488 Cb 0.44 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1cy4 h LYS 488 CO 0.02 0.45 0.00 0.54 -2.27 0.00 0.00 179.45 178.19 1cy4 n ARG 489 N -4.72 1.74 -2.86 1.90 1.74 -0.79 -4.94 116.66 108.73 1cy4 n ARG 489 Ca 0.23 -1.09 -0.15 0.00 -0.77 0.00 0.00 57.85 56.08 1cy4 n ARG 489 Cb 0.60 -1.46 0.03 0.00 -1.02 0.00 0.00 32.46 30.61 1cy4 n ARG 489 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cy4 n GLY 490 N 1.19 -0.07 0.10 -0.13 0.00 0.67 -4.72 105.19 102.23 1cy4 n GLY 490 Ca 0.18 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1cy4 n GLY 490 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1cy4 n ILE 491 N -4.07 1.50 -0.01 -0.61 2.08 0.58 -4.37 119.36 114.47 1cy4 n ILE 491 Ca -0.05 0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1cy4 n ILE 491 Cb 0.57 -2.13 0.00 0.00 -0.75 0.00 0.00 39.64 37.33 1cy4 n ILE 491 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1cy4 n GLY 492 N 1.47 0.92 3.61 7.39 0.00 -1.26 -4.89 105.19 112.43 1cy4 n GLY 492 Ca -0.27 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 1cy4 n GLY 492 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cy4 s ARG 493 N 0.03 0.68 0.57 1.61 0.52 -1.26 -4.99 118.95 116.11 1cy4 s ARG 493 Ca 0.00 0.54 0.42 0.00 -0.52 0.00 0.00 55.73 56.16 1cy4 s ARG 493 Cb 0.00 0.33 1.49 0.00 0.52 0.00 0.00 34.95 37.29 1cy4 s ARG 493 CO 0.00 -0.14 1.55 -1.35 0.02 0.00 0.00 175.30 175.38 1cy4 h PRO 494 N 3.83 0.00 -0.00 3.54 0.11 -1.94 0.34 132.00 137.88 1cy4 h PRO 494 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1cy4 h PRO 494 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1cy4 h PRO 494 CO 0.18 0.00 -0.49 0.43 -0.21 0.00 0.00 178.00 177.91 1cy4 n SER 495 N -3.77 0.68 -0.00 -2.05 7.64 -1.26 -4.31 113.62 110.55 1cy4 n SER 495 Ca 0.35 -0.47 0.03 0.00 1.01 0.00 0.00 58.87 59.78 1cy4 n SER 495 Cb 1.74 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 65.19 1cy4 n SER 495 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1cy4 n THR 496 N -1.29 0.00 -0.07 0.44 -2.24 0.12 -4.76 114.28 106.47 1cy4 n THR 496 Ca 0.07 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1cy4 n THR 496 Cb 0.34 0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 1cy4 n THR 496 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1cy4 h TYR 497 N 0.00 -1.27 -0.29 4.78 0.05 -1.65 0.31 116.97 118.90 1cy4 h TYR 497 Ca 0.00 0.06 0.05 0.00 0.05 0.00 0.00 58.73 58.89 1cy4 h TYR 497 Cb 0.17 0.60 -0.05 0.00 1.01 0.00 0.00 36.73 38.46 1cy4 h TYR 497 CO 0.00 -0.46 -0.03 0.00 -1.05 0.00 0.00 178.16 176.61 1cy4 h ALA 498 N 0.23 0.23 -0.34 3.88 0.00 -1.86 -0.61 119.26 120.79 1cy4 h ALA 498 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1cy4 h ALA 498 Cb 0.61 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1cy4 h ALA 498 CO -0.49 -0.44 0.22 0.66 0.00 0.00 0.00 179.25 179.20 1cy4 h SER 499 N 0.05 0.39 -0.11 0.00 4.64 -1.71 -0.87 113.55 115.93 1cy4 h SER 499 Ca 0.14 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.48 1cy4 h SER 499 Cb 0.19 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.13 1cy4 h SER 499 CO -0.26 0.29 -0.29 0.40 -0.87 0.00 0.00 176.83 176.11 1cy4 h ILE 500 N 0.45 0.34 -0.10 0.95 2.04 0.14 0.74 117.51 122.05 1cy4 h ILE 500 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 1cy4 h ILE 500 Cb -0.04 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.33 1cy4 h ILE 500 CO -0.03 0.00 -0.18 0.40 0.00 0.00 0.00 178.15 178.34 1cy4 h ILE 501 N -0.37 0.54 -0.34 -0.67 1.08 -0.83 -2.65 117.51 114.28 1cy4 h ILE 501 Ca 0.09 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1cy4 h ILE 501 Cb 0.51 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1cy4 h ILE 501 CO -0.32 0.00 -0.03 -1.28 -0.69 0.00 0.00 178.15 175.82 1cy4 h SER 502 N -0.24 0.61 0.22 1.72 0.87 -0.81 -3.19 113.55 112.72 1cy4 h SER 502 Ca 0.09 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1cy4 h SER 502 Cb 0.37 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1cy4 h SER 502 CO -0.25 0.80 0.00 1.07 -0.53 0.00 0.00 176.83 177.92 1cy4 n THR 503 N -4.48 1.23 0.02 2.23 5.66 0.25 -1.49 114.28 117.69 1cy4 n THR 503 Ca -0.02 0.31 0.11 0.00 -3.05 0.00 0.00 64.05 61.39 1cy4 n THR 503 Cb 0.30 -1.17 0.23 0.00 -1.55 0.00 0.00 70.33 68.14 1cy4 n THR 503 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1cy4 n ILE 504 N -1.42 0.71 -4.08 1.09 -5.35 -1.02 -4.92 119.36 104.38 1cy4 n ILE 504 Ca 0.03 -0.86 -0.22 0.00 -0.27 0.00 0.00 62.75 61.43 1cy4 n ILE 504 Cb 0.08 0.77 -0.05 0.00 -1.74 0.00 0.00 39.64 38.71 1cy4 n ILE 504 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1cy4 s GLN 505 N -1.23 2.79 -2.03 6.28 -0.21 -0.56 -4.12 119.66 120.58 1cy4 s GLN 505 Ca 0.39 -1.16 0.00 0.00 0.02 0.00 0.00 55.36 54.60 1cy4 s GLN 505 Cb 0.22 -2.48 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1cy4 s GLN 505 CO 0.29 0.33 0.00 -0.25 -2.12 0.00 0.00 175.29 173.54 1cy4 n ASP 506 N -1.18 -5.31 -0.38 5.90 8.00 -1.26 -4.78 116.55 117.54 1cy4 n ASP 506 Ca -0.06 0.40 0.05 0.00 0.71 0.00 0.00 54.79 55.89 1cy4 n ASP 506 Cb 0.58 -4.66 0.04 0.00 -0.02 0.00 0.00 41.12 37.06 1cy4 n ASP 506 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1cy4 n ARG 507 N -2.44 0.32 -0.99 -1.24 1.74 -1.26 -4.99 116.66 107.80 1cy4 n ARG 507 Ca -0.21 -1.06 0.00 0.00 -0.77 0.00 0.00 57.85 55.82 1cy4 n ARG 507 Cb 0.66 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 1cy4 n ARG 507 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cy4 n GLY 508 N 0.53 0.47 0.18 -0.13 0.00 -1.26 -4.84 105.19 100.15 1cy4 n GLY 508 Ca 0.05 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 1cy4 n GLY 508 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cy4 n TYR 509 N -2.99 0.00 -3.88 1.61 4.01 -1.26 -4.00 117.16 110.65 1cy4 n TYR 509 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 1cy4 n TYR 509 Cb 0.00 -0.86 -0.11 0.00 -0.31 0.00 0.00 39.34 38.06 1cy4 n TYR 509 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1cy4 s VAL 510 N -2.44 0.06 0.05 -0.72 -7.23 -1.26 -1.00 120.40 107.85 1cy4 s VAL 510 Ca -0.32 -0.50 0.03 0.00 -1.81 0.00 0.00 61.98 59.38 1cy4 s VAL 510 Cb 0.10 -0.31 -0.02 0.00 0.56 0.00 0.00 36.38 36.71 1cy4 s VAL 510 CO 0.47 -0.28 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.30 1cy4 s ARG 511 N -0.91 0.58 -0.20 4.82 3.52 -0.10 -4.42 118.95 122.25 1cy4 s ARG 511 Ca -0.10 -0.78 -0.17 0.00 -0.13 0.00 0.00 55.73 54.56 1cy4 s ARG 511 Cb -0.06 -0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 32.90 1cy4 s ARG 511 CO 0.01 0.08 0.44 0.08 -0.81 0.00 0.00 175.30 175.09 1cy4 s VAL 512 N -1.32 5.17 -0.17 7.11 1.01 -1.26 -0.56 120.40 130.38 1cy4 s VAL 512 Ca -0.08 0.79 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 1cy4 s VAL 512 Cb -0.10 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.57 1cy4 s VAL 512 CO 0.01 0.23 0.04 -1.61 0.00 0.00 0.00 175.10 173.76 1cy4 s GLU 513 N 1.41 0.57 -0.72 2.72 2.02 0.21 -4.77 118.70 120.13 1cy4 s GLU 513 Ca 0.21 -0.30 -0.05 0.00 0.02 0.00 0.00 54.97 54.86 1cy4 s GLU 513 Cb -0.15 -1.90 0.01 0.00 0.10 0.00 0.00 34.13 32.19 1cy4 s GLU 513 CO 0.09 -0.59 0.62 -1.71 0.02 0.00 0.00 175.26 173.68 1cy4 n ASN 514 N 5.09 -4.32 -0.19 -0.19 5.15 -1.26 -2.52 115.26 117.02 1cy4 n ASN 514 Ca -0.08 -0.28 -0.03 0.00 -0.60 0.00 0.00 54.58 53.59 1cy4 n ASN 514 Cb 0.48 -2.90 -0.01 0.00 -0.53 0.00 0.00 39.78 36.82 1cy4 n ASN 514 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1cy4 n ARG 515 N -2.88 -1.12 -4.33 1.20 1.74 -1.26 -5.00 116.66 105.02 1cy4 n ARG 515 Ca 0.00 0.43 -0.22 0.00 -0.77 0.00 0.00 57.85 57.29 1cy4 n ARG 515 Cb 0.53 -4.34 -0.11 0.00 -1.02 0.00 0.00 32.46 27.52 1cy4 n ARG 515 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1cy4 s ARG 516 N -1.56 1.26 0.14 5.56 1.81 -1.05 -4.36 118.95 120.76 1cy4 s ARG 516 Ca 0.00 -1.39 -0.24 0.00 -1.72 0.00 0.00 55.73 52.37 1cy4 s ARG 516 Cb 0.00 -1.33 -0.08 0.00 -0.45 0.00 0.00 34.95 33.09 1cy4 s ARG 516 CO 0.00 0.27 0.74 -0.06 -0.68 0.00 0.00 175.30 175.57 1cy4 s PHE 517 N -2.00 3.88 -0.03 -0.53 0.40 -0.38 0.64 117.98 119.97 1cy4 s PHE 517 Ca 0.15 1.57 0.02 0.00 -0.60 0.00 0.00 56.93 58.07 1cy4 s PHE 517 Cb -0.06 -2.73 0.01 0.00 0.51 0.00 0.00 43.02 40.75 1cy4 s PHE 517 CO 0.06 0.51 -0.09 0.71 0.70 0.00 0.00 175.22 177.12 1cy4 s TYR 518 N -1.07 1.01 -0.03 0.36 1.51 0.28 -4.63 117.35 114.77 1cy4 s TYR 518 Ca 0.35 -0.27 -0.22 0.00 -1.01 0.00 0.00 57.07 55.91 1cy4 s TYR 518 Cb -0.22 -0.73 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1cy4 s TYR 518 CO 0.25 -0.13 0.67 0.00 -1.11 0.00 0.00 175.55 175.23 1cy4 s ALA 519 N 0.30 3.39 0.31 3.71 0.00 -1.26 -0.92 121.76 127.29 1cy4 s ALA 519 Ca -0.05 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 1cy4 s ALA 519 Cb -0.10 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1cy4 s ALA 519 CO 0.01 0.01 0.56 -1.21 0.00 0.00 0.00 175.76 175.13 1cy4 s GLU 520 N 0.35 3.61 0.18 0.00 2.02 -0.17 -4.97 118.70 119.72 1cy4 s GLU 520 Ca 0.35 -0.03 -0.14 0.00 0.02 0.00 0.00 54.97 55.17 1cy4 s GLU 520 Cb -0.18 -2.63 0.17 0.00 0.10 0.00 0.00 34.13 31.58 1cy4 s GLU 520 CO 0.18 0.18 1.71 0.87 0.02 0.00 0.00 175.26 178.22 1cy4 h LYS 521 N 1.47 0.18 -0.33 1.61 6.56 -1.88 0.36 116.57 124.54 1cy4 h LYS 521 Ca -0.48 -0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.18 1cy4 h LYS 521 Cb 1.19 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.80 1cy4 h LYS 521 CO 0.65 0.12 0.24 1.98 -2.06 0.00 0.00 179.45 180.38 1cy4 h MET 522 N 0.19 0.09 0.00 3.15 4.05 -1.89 0.48 114.93 121.00 1cy4 h MET 522 Ca 0.23 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.59 1cy4 h MET 522 Cb 0.32 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1cy4 h MET 522 CO -0.33 0.06 -0.29 0.78 0.23 0.00 0.00 176.91 177.36 1cy4 h GLY 523 N 0.09 0.00 1.04 1.39 0.00 -0.43 -1.38 103.07 103.78 1cy4 h GLY 523 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.17 1cy4 h GLY 523 CO -0.01 0.00 -1.68 0.83 0.00 0.00 0.00 176.54 175.68 1cy4 h GLU 524 N 0.00 0.23 0.21 4.80 5.08 0.42 -2.96 114.58 122.36 1cy4 h GLU 524 Ca -0.00 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1cy4 h GLU 524 Cb 0.59 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1cy4 h GLU 524 CO 0.04 1.06 -0.17 0.82 -1.00 0.00 0.00 179.01 179.76 1cy4 h ILE 525 N 0.06 0.63 -0.34 3.13 2.04 -0.58 -1.40 117.51 121.05 1cy4 h ILE 525 Ca -0.30 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1cy4 h ILE 525 Cb 2.03 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1cy4 h ILE 525 CO 0.14 0.00 -0.10 0.58 0.00 0.00 0.00 178.15 178.76 1cy4 h VAL 526 N -0.39 1.24 -0.60 1.67 2.07 -1.40 -2.77 116.25 116.07 1cy4 h VAL 526 Ca -0.01 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 1cy4 h VAL 526 Cb 0.35 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1cy4 h VAL 526 CO -0.02 0.34 -0.01 0.74 0.02 0.00 0.00 177.57 178.65 1cy4 h THR 527 N 0.54 1.26 -0.36 2.57 2.02 -1.30 -1.37 112.91 116.27 1cy4 h THR 527 Ca 0.10 -1.16 -0.12 0.00 0.77 0.00 0.00 66.41 66.00 1cy4 h THR 527 Cb 0.50 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1cy4 h THR 527 CO 0.03 0.42 -0.25 0.44 0.37 0.00 0.00 175.52 176.53 1cy4 h ASP 528 N 0.96 0.84 0.06 4.18 3.32 -1.19 -1.02 116.42 123.58 1cy4 h ASP 528 Ca 0.17 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1cy4 h ASP 528 Cb 0.57 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1cy4 h ASP 528 CO 0.03 1.09 -0.12 0.03 -1.72 0.00 0.00 179.24 178.56 1cy4 h ARG 529 N 0.59 -0.22 -0.63 3.56 -0.00 -1.36 0.34 114.38 116.66 1cy4 h ARG 529 Ca 0.07 0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.54 1cy4 h ARG 529 Cb 0.81 0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.80 1cy4 h ARG 529 CO 0.07 -0.15 0.28 -0.07 0.00 0.00 0.00 179.97 180.10 1cy4 h LEU 530 N -0.23 0.83 -1.13 3.04 3.38 -1.25 -0.49 115.31 119.45 1cy4 h LEU 530 Ca 0.02 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1cy4 h LEU 530 Cb 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1cy4 h LEU 530 CO -0.07 0.72 -0.30 -0.33 0.09 0.00 0.00 178.44 178.55 1cy4 h GLU 531 N 0.90 0.22 0.15 1.13 5.08 -0.53 0.47 114.58 122.01 1cy4 h GLU 531 Ca 0.22 -0.08 -0.31 0.00 -1.00 0.00 0.00 59.36 58.19 1cy4 h GLU 531 Cb 0.13 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1cy4 h GLU 531 CO -0.02 0.51 -1.48 0.93 -1.00 0.00 0.00 179.01 177.95 1cy4 h GLU 532 N 0.20 0.32 -0.02 2.33 5.08 -0.42 -3.33 114.58 118.75 1cy4 h GLU 532 Ca 0.03 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1cy4 h GLU 532 Cb 0.64 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1cy4 h GLU 532 CO 0.05 1.22 -0.08 0.09 -1.00 0.00 0.00 179.01 179.28 1cy4 n ASN 533 N -3.53 2.04 -2.85 1.42 3.02 -0.24 -4.61 115.26 110.51 1cy4 n ASN 533 Ca -0.15 -1.52 -0.12 0.00 -0.03 0.00 0.00 54.58 52.75 1cy4 n ASN 533 Cb 1.05 0.13 0.02 0.00 -0.61 0.00 0.00 39.78 40.38 1cy4 n ASN 533 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1cy4 n PHE 534 N 0.56 0.17 -0.06 3.10 3.01 0.16 -4.66 117.46 119.75 1cy4 n PHE 534 Ca 0.08 -3.01 -0.08 0.00 1.01 0.00 0.00 57.45 55.45 1cy4 n PHE 534 Cb 0.36 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 39.76 1cy4 n PHE 534 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1cy4 h ARG 535 N 2.90 -0.20 -0.82 -1.08 2.43 -1.66 -2.08 114.38 113.87 1cy4 h ARG 535 Ca -0.05 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1cy4 h ARG 535 Cb 1.11 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 1cy4 h ARG 535 CO 0.42 -0.13 0.46 1.49 -1.51 0.00 0.00 179.97 180.69 1cy4 h GLU 536 N -0.21 1.14 -0.02 0.20 4.81 -1.92 -1.81 114.58 116.78 1cy4 h GLU 536 Ca 0.14 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1cy4 h GLU 536 Cb 0.43 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1cy4 h GLU 536 CO -0.39 0.84 -0.43 1.25 -0.73 0.00 0.00 179.01 179.55 1cy4 h LEU 537 N 1.14 0.04 0.00 1.64 6.46 -1.85 -3.04 115.31 119.70 1cy4 h LEU 537 Ca 0.29 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 1cy4 h LEU 537 Cb 0.02 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1cy4 h LEU 537 CO -0.05 0.47 -0.62 0.24 -0.62 0.00 0.00 178.44 177.86 1cy4 h MET 538 N 0.03 0.00 -6.59 1.25 2.86 -1.09 -3.46 114.93 107.94 1cy4 h MET 538 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1cy4 h MET 538 Cb 0.78 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.48 1cy4 h MET 538 CO 0.06 0.00 0.92 1.21 1.06 0.00 0.00 176.91 180.15 1cy4 s ASN 539 N -4.34 6.56 0.14 1.22 2.47 -0.71 -4.87 114.94 115.41 1cy4 s ASN 539 Ca 0.06 2.63 -0.16 0.00 0.42 0.00 0.00 52.86 55.80 1cy4 s ASN 539 Cb 0.13 -2.59 -0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1cy4 s ASN 539 CO 0.72 -0.85 1.74 1.88 -3.72 0.00 0.00 177.10 176.87 1cy4 h TYR 540 N 7.06 0.53 -0.52 0.43 0.05 -1.90 -2.25 116.97 120.36 1cy4 h TYR 540 Ca -0.43 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.31 1cy4 h TYR 540 Cb 1.20 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 1cy4 h TYR 540 CO 0.67 0.42 0.22 -0.44 -1.05 0.00 0.00 178.16 177.98 1cy4 h ASP 541 N 0.49 0.71 -0.16 3.88 3.32 -1.92 -1.53 116.42 121.20 1cy4 h ASP 541 Ca 0.13 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1cy4 h ASP 541 Cb 0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1cy4 h ASP 541 CO -0.02 0.67 0.00 -0.26 -1.72 0.00 0.00 179.24 177.91 1cy4 h PHE 542 N 0.71 0.41 -0.19 4.55 0.04 -1.83 -0.07 116.94 120.56 1cy4 h PHE 542 Ca 0.18 -0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.81 1cy4 h PHE 542 Cb 0.17 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 1cy4 h PHE 542 CO 0.00 0.42 -0.28 1.15 -0.60 0.00 0.00 178.31 179.00 1cy4 h THR 543 N 0.39 1.34 -0.59 -1.55 2.02 -1.09 -2.31 112.91 111.12 1cy4 h THR 543 Ca 0.09 -1.50 -0.06 0.00 0.77 0.00 0.00 66.41 65.71 1cy4 h THR 543 Cb 0.26 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1cy4 h THR 543 CO 0.01 0.46 0.11 0.00 0.37 0.00 0.00 175.52 176.47 1cy4 h ALA 544 N 0.61 1.09 -0.54 6.16 0.00 -0.95 -2.14 119.26 123.48 1cy4 h ALA 544 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1cy4 h ALA 544 Cb 0.86 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1cy4 h ALA 544 CO 0.07 0.60 0.35 0.37 0.00 0.00 0.00 179.25 180.63 1cy4 h GLN 545 N 0.89 0.72 -0.31 0.00 5.75 -0.92 -1.30 115.11 119.94 1cy4 h GLN 545 Ca 0.19 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.60 1cy4 h GLN 545 Cb 0.36 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1cy4 h GLN 545 CO 0.01 0.48 0.02 1.98 -2.65 0.00 0.00 178.83 178.67 1cy4 h MET 546 N 0.74 0.47 -0.28 1.69 4.05 -0.80 0.43 114.93 121.22 1cy4 h MET 546 Ca 0.20 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.48 1cy4 h MET 546 Cb -0.07 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.64 1cy4 h MET 546 CO -0.04 0.48 -0.05 0.93 0.23 0.00 0.00 176.91 178.46 1cy4 h GLU 547 N 0.46 0.52 -0.65 0.39 4.39 -1.18 0.16 114.58 118.66 1cy4 h GLU 547 Ca 0.10 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1cy4 h GLU 547 Cb 0.26 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1cy4 h GLU 547 CO 0.00 0.71 0.43 -0.91 -1.16 0.00 0.00 179.01 178.08 1cy4 h ASN 548 N 0.28 0.73 -0.50 1.42 -0.26 -0.86 -0.54 115.58 115.86 1cy4 h ASN 548 Ca 0.07 -0.01 0.09 0.00 -0.56 0.00 0.00 56.30 55.89 1cy4 h ASN 548 Cb 0.51 -0.18 -0.08 0.00 -1.06 0.00 0.00 38.32 37.52 1cy4 h ASN 548 CO 0.02 0.52 0.04 -1.28 -1.06 0.00 0.00 177.43 175.68 1cy4 h SER 549 N 0.86 -0.12 0.11 5.81 0.87 0.29 -0.81 113.55 120.56 1cy4 h SER 549 Ca 0.25 0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 60.81 1cy4 h SER 549 Cb -0.07 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1cy4 h SER 549 CO -0.07 -0.03 -0.36 -0.07 -0.53 0.00 0.00 176.83 175.77 1cy4 h LEU 550 N 0.16 0.36 -0.84 2.23 3.38 0.12 -2.72 115.31 118.00 1cy4 h LEU 550 Ca 0.25 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1cy4 h LEU 550 Cb 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1cy4 h LEU 550 CO -0.38 0.70 -0.11 0.44 0.09 0.00 0.00 178.44 179.18 1cy4 h ASP 551 N 0.30 0.73 -0.15 -0.43 3.32 -0.11 -2.68 116.42 117.41 1cy4 h ASP 551 Ca 0.03 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1cy4 h ASP 551 Cb 0.78 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1cy4 h ASP 551 CO 0.06 0.87 -0.03 1.56 -1.72 0.00 0.00 179.24 179.98 1cy4 h GLN 552 N 0.67 0.41 -0.44 3.56 4.20 -0.87 -1.57 115.11 121.07 1cy4 h GLN 552 Ca 0.12 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1cy4 h GLN 552 Cb 0.58 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1cy4 h GLN 552 CO 0.04 0.47 -0.21 0.28 -0.67 0.00 0.00 178.83 178.73 1cy4 h VAL 553 N 0.40 1.27 0.00 -0.54 2.07 -1.32 0.66 116.25 118.80 1cy4 h VAL 553 Ca 0.09 -1.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 1cy4 h VAL 553 Cb 0.32 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1cy4 h VAL 553 CO 0.01 0.46 -0.25 0.00 0.02 0.00 0.00 177.57 177.82 1cy4 h ALA 554 N 0.84 1.35 -0.57 1.67 0.00 -1.14 -2.66 119.26 118.76 1cy4 h ALA 554 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1cy4 h ALA 554 Cb 0.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1cy4 h ALA 554 CO 0.06 0.31 0.00 0.09 0.00 0.00 0.00 179.25 179.71 1cy4 n ASN 555 N -3.90 4.72 -2.40 0.00 3.02 -0.65 -4.26 115.26 111.79 1cy4 n ASN 555 Ca -0.02 -2.58 -0.20 0.00 -0.03 0.00 0.00 54.58 51.76 1cy4 n ASN 555 Cb 0.33 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1cy4 n ASN 555 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1cy4 n HIS 556 N 0.79 -1.18 -0.07 3.10 -0.00 -1.00 -4.86 115.22 112.00 1cy4 n HIS 556 Ca 0.25 0.13 0.08 0.00 -0.00 0.00 0.00 57.72 58.18 1cy4 n HIS 556 Cb 0.92 -3.94 0.20 0.00 -0.00 0.00 0.00 29.99 27.17 1cy4 n HIS 556 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1cy4 n GLU 557 N -3.14 2.51 -3.57 1.57 1.02 0.23 -4.96 120.64 114.30 1cy4 n GLU 557 Ca -0.20 -2.17 -0.10 0.00 -0.02 0.00 0.00 57.16 54.67 1cy4 n GLU 557 Cb 0.66 -1.39 -0.05 0.00 -0.02 0.00 0.00 31.44 30.64 1cy4 n GLU 557 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cy4 s ALA 558 N -1.08 -1.91 -0.18 0.62 0.00 -0.94 -4.84 121.76 113.41 1cy4 s ALA 558 Ca 0.32 1.50 -0.11 0.00 0.00 0.00 0.00 51.96 53.67 1cy4 s ALA 558 Cb 0.17 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 1cy4 s ALA 558 CO 0.23 -0.37 0.17 -2.00 0.00 0.00 0.00 175.76 173.80 1cy4 s GLU 559 N -1.41 4.14 0.24 0.00 -6.30 -1.26 -4.23 118.70 109.88 1cy4 s GLU 559 Ca -0.01 -0.13 -0.05 0.00 -2.50 0.00 0.00 54.97 52.28 1cy4 s GLU 559 Cb -0.01 -3.40 0.34 0.00 0.00 0.00 0.00 34.13 31.06 1cy4 s GLU 559 CO 0.00 0.33 1.85 0.11 0.02 0.00 0.00 175.26 177.57 1cy4 h TRP 560 N 6.51 0.99 -0.48 5.30 5.08 -1.91 -1.85 115.95 129.59 1cy4 h TRP 560 Ca -0.42 0.03 -0.08 0.00 1.08 0.00 0.00 58.89 59.49 1cy4 h TRP 560 Cb 1.16 -0.32 -0.02 0.00 -3.00 0.00 0.00 29.16 26.99 1cy4 h TRP 560 CO 0.60 0.50 -0.02 0.87 -1.28 0.00 0.00 178.44 179.11 1cy4 h LYS 561 N 0.97 0.87 -0.57 0.12 1.57 -1.95 -0.43 116.57 117.14 1cy4 h LYS 561 Ca 0.38 -0.29 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1cy4 h LYS 561 Cb 0.18 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1cy4 h LYS 561 CO -0.18 0.92 0.36 0.00 -0.57 0.00 0.00 179.45 179.99 1cy4 h ALA 562 N 0.92 0.73 -0.41 3.86 0.00 -1.93 0.23 119.26 122.66 1cy4 h ALA 562 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1cy4 h ALA 562 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1cy4 h ALA 562 CO 0.03 0.11 0.04 0.28 0.00 0.00 0.00 179.25 179.71 1cy4 h VAL 563 N 0.73 1.21 -0.30 0.00 2.07 -1.10 -1.80 116.25 117.05 1cy4 h VAL 563 Ca 0.22 -0.81 -0.18 0.00 0.82 0.00 0.00 66.70 66.75 1cy4 h VAL 563 Cb -0.03 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1cy4 h VAL 563 CO -0.07 0.29 -0.52 -0.07 0.02 0.00 0.00 177.57 177.21 1cy4 h LEU 564 N 0.61 0.95 -0.41 2.57 3.38 -0.07 -2.56 115.31 119.77 1cy4 h LEU 564 Ca 0.13 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1cy4 h LEU 564 Cb 0.33 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1cy4 h LEU 564 CO 0.01 1.29 0.25 0.44 0.09 0.00 0.00 178.44 180.52 1cy4 h ASP 565 N 0.67 0.48 -0.80 -0.43 3.32 -0.18 0.13 116.42 119.60 1cy4 h ASP 565 Ca 0.02 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1cy4 h ASP 565 Cb 1.12 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 1cy4 h ASP 565 CO 0.12 0.38 0.33 -0.74 -1.72 0.00 0.00 179.24 177.61 1cy4 h HIS 566 N 0.54 1.21 -0.39 4.55 2.76 -1.36 -0.25 115.15 122.21 1cy4 h HIS 566 Ca 0.15 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1cy4 h HIS 566 Cb -0.02 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 28.56 1cy4 h HIS 566 CO -0.04 0.91 0.20 0.35 -1.30 0.00 0.00 177.93 178.05 1cy4 h PHE 567 N 1.16 0.56 -0.20 5.26 3.57 -1.00 -2.61 116.94 123.68 1cy4 h PHE 567 Ca 0.27 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 1cy4 h PHE 567 Cb 0.20 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1cy4 h PHE 567 CO 0.02 0.46 -0.27 0.35 -2.23 0.00 0.00 178.31 176.63 1cy4 h PHE 568 N 0.50 0.43 0.24 0.41 3.57 -0.31 -1.10 116.94 120.68 1cy4 h PHE 568 Ca 0.14 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1cy4 h PHE 568 Cb 0.10 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1cy4 h PHE 568 CO -0.02 0.63 -0.11 1.03 -2.23 0.00 0.00 178.31 177.61 1cy4 h SER 569 N 0.34 -0.27 -0.69 0.41 0.87 -0.90 0.35 113.55 113.66 1cy4 h SER 569 Ca 0.05 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 1cy4 h SER 569 Cb 0.66 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 1cy4 h SER 569 CO 0.05 -0.08 0.27 0.44 -0.53 0.00 0.00 176.83 176.98 1cy4 h ASP 570 N -0.46 0.98 -0.18 6.23 3.32 -1.37 -2.74 116.42 122.20 1cy4 h ASP 570 Ca -0.03 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1cy4 h ASP 570 Cb 0.34 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1cy4 h ASP 570 CO 0.05 0.88 0.02 0.15 -1.72 0.00 0.00 179.24 178.62 1cy4 h PHE 571 N 1.03 0.33 0.00 4.55 3.57 -0.96 -2.82 116.94 122.65 1cy4 h PHE 571 Ca 0.24 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1cy4 h PHE 571 Cb 0.22 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1cy4 h PHE 571 CO 0.02 0.48 -0.20 1.79 -2.23 0.00 0.00 178.31 178.18 1cy4 h THR 572 N 0.08 0.52 -0.15 4.41 1.35 -0.90 -0.41 112.91 117.81 1cy4 h THR 572 Ca 0.05 -0.99 -0.17 0.00 -0.55 0.00 0.00 66.41 64.75 1cy4 h THR 572 Cb 0.34 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1cy4 h THR 572 CO 0.01 0.19 -0.61 -0.61 -0.25 0.00 0.00 175.52 174.25 1cy4 h GLN 573 N 0.00 0.50 0.15 4.72 4.15 -1.43 -0.98 115.11 122.23 1cy4 h GLN 573 Ca -0.00 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.07 1cy4 h GLN 573 Cb 0.67 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1cy4 h GLN 573 CO 0.03 0.96 -0.07 1.96 -1.93 0.00 0.00 178.83 179.77 1cy4 h GLN 574 N 0.38 -0.20 -0.78 1.69 4.20 -1.17 -3.20 115.11 116.04 1cy4 h GLN 574 Ca -0.01 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.79 1cy4 h GLN 574 Cb 1.16 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.93 1cy4 h GLN 574 CO 0.11 0.17 0.51 1.25 -0.67 0.00 0.00 178.83 180.20 1cy4 h LEU 575 N -0.60 0.71 -0.06 1.46 5.85 -1.06 -2.08 115.31 119.54 1cy4 h LEU 575 Ca -0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1cy4 h LEU 575 Cb 0.45 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1cy4 h LEU 575 CO 0.03 0.45 0.01 0.44 -0.34 0.00 0.00 178.44 179.04 1cy4 h ASP 576 N 0.80 0.09 -0.19 1.25 3.32 -1.22 -2.70 116.42 117.78 1cy4 h ASP 576 Ca 0.34 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1cy4 h ASP 576 Cb 0.29 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1cy4 h ASP 576 CO -0.12 0.30 -0.03 0.11 -1.72 0.00 0.00 179.24 177.78 1cy4 h LYS 577 N -0.13 0.48 -0.37 3.56 1.57 -1.51 -2.54 116.57 117.64 1cy4 h LYS 577 Ca 0.02 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1cy4 h LYS 577 Cb 0.24 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1cy4 h LYS 577 CO 0.00 0.53 0.13 0.00 -0.57 0.00 0.00 179.45 179.54 1cy4 h ALA 578 N 1.52 1.54 0.00 3.86 0.00 -1.19 -2.57 119.26 122.43 1cy4 h ALA 578 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cy4 h ALA 578 Cb 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1cy4 h ALA 578 CO 0.01 0.35 0.00 0.93 0.00 0.00 0.00 179.25 180.55 1cy4 h GLU 579 N 0.52 0.00 -7.29 0.00 5.08 -1.13 0.12 114.58 111.88 1cy4 h GLU 579 Ca 0.13 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.97 1cy4 h GLU 579 Cb 0.14 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.55 1cy4 h GLU 579 CO -0.01 0.00 0.28 0.15 -1.00 0.00 0.00 179.01 178.43 1cy4 s LYS 580 N -3.43 1.73 0.57 2.33 1.02 -0.97 -4.89 119.74 116.10 1cy4 s LYS 580 Ca 0.04 1.37 -0.21 0.00 0.02 0.00 0.00 55.97 57.19 1cy4 s LYS 580 Cb 0.07 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.52 1cy4 s LYS 580 CO 0.59 -2.07 1.32 -0.51 -0.92 0.00 0.00 175.35 173.76 1cy4 s ASP 581 N -3.00 5.16 0.57 2.83 1.01 -1.26 -3.60 116.67 118.37 1cy4 s ASP 581 Ca 0.64 2.67 0.27 0.00 0.71 0.00 0.00 52.55 56.85 1cy4 s ASP 581 Cb -0.20 -2.63 1.51 0.00 1.01 0.00 0.00 42.92 42.62 1cy4 s ASP 581 CO 0.56 -1.64 2.02 1.55 0.21 0.00 0.00 175.17 177.87 1cy4 h PRO 582 N 1.24 0.00 0.00 8.23 0.13 -1.73 0.14 132.00 140.00 1cy4 h PRO 582 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1cy4 h PRO 582 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1cy4 h PRO 582 CO 0.56 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.48 1cy4 n GLU 583 N -4.00 0.09 -0.11 0.86 0.00 -1.26 -1.32 120.64 114.90 1cy4 n GLU 583 Ca 0.06 0.21 0.04 0.00 0.00 0.00 0.00 57.16 57.46 1cy4 n GLU 583 Cb 0.49 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.52 1cy4 n GLU 583 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1cy4 n GLU 584 N -1.41 2.84 -0.07 3.44 4.71 0.40 -4.95 120.64 125.60 1cy4 n GLU 584 Ca 0.05 -1.89 0.00 0.00 -0.01 0.00 0.00 57.16 55.31 1cy4 n GLU 584 Cb 0.15 -1.20 0.00 0.00 -1.01 0.00 0.00 31.44 29.38 1cy4 n GLU 584 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1cy4 n GLY 585 N -0.11 0.96 3.91 0.62 0.00 -0.44 -4.93 105.19 105.21 1cy4 n GLY 585 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1cy4 n GLY 585 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cy4 s GLY 586 N -1.98 1.71 0.39 -0.02 0.00 -0.75 -4.72 107.32 101.95 1cy4 s GLY 586 Ca 0.00 -0.99 -0.27 0.00 0.00 0.00 0.00 44.72 43.45 1cy4 s GLY 586 CO 0.00 -0.32 1.44 -0.13 0.00 0.00 0.00 173.10 174.08 1cy4 n MET 587 N -3.63 2.47 -2.61 2.90 0.00 0.03 -4.15 117.12 112.13 1cy4 n MET 587 Ca 0.13 0.87 -0.40 0.00 -0.00 0.00 0.00 57.70 58.30 1cy4 n MET 587 Cb 0.60 -2.60 -0.05 0.00 0.00 0.00 0.00 33.22 31.17 1cy4 n MET 587 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1cy4 s ARG 588 N -2.14 4.69 0.43 2.12 0.52 -1.26 -4.20 118.95 119.11 1cy4 s ARG 588 Ca 0.55 1.63 -0.13 0.00 -0.52 0.00 0.00 55.73 57.26 1cy4 s ARG 588 Cb -0.49 -3.16 -0.07 0.00 0.52 0.00 0.00 34.95 31.76 1cy4 s ARG 588 CO 0.62 0.32 0.85 -1.25 0.02 0.00 0.00 175.30 175.85 1cy4 s PRO 589 N -1.45 3.88 -1.44 3.54 0.04 -1.26 -4.88 135.00 133.42 1cy4 s PRO 589 Ca 0.44 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 1cy4 s PRO 589 Cb -0.28 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 32.01 1cy4 s PRO 589 CO 0.35 -0.09 2.36 -1.71 0.04 0.00 0.00 177.00 177.95 1cy4 n ASN 590 N -1.26 5.96 0.00 6.66 5.15 -1.03 -4.88 115.26 125.86 1cy4 n ASN 590 Ca 0.04 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.14 1cy4 n ASN 590 Cb 0.54 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 1cy4 n ASN 590 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1cy4 n GLN 591 N 4.34 3.38 0.00 1.20 1.13 -1.26 -5.03 117.38 121.14 1cy4 n GLN 591 Ca 0.57 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.63 1cy4 n GLN 591 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.67 1cy4 n GLN 591 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1cy4 n MET 592 N 0.00 0.00 -1.05 -1.09 0.00 -1.26 -5.17 117.12 108.55 1cy4 n MET 592 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.70 57.36 1cy4 n MET 592 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 33.22 33.32 1cy4 n MET 592 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1cy4 n VAL 593 N 0.00 1.19 0.00 1.12 0.31 -1.26 -5.02 118.33 114.67 1cy4 n VAL 593 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1cy4 n VAL 593 Cb 0.00 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1cy4 n VAL 593 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1cy4 n LEU 594 N -1.51 0.00 -0.69 7.52 4.32 -1.26 -4.92 117.00 120.46 1cy4 n LEU 594 Ca 0.10 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.16 1cy4 n LEU 594 Cb 0.51 0.00 0.19 0.00 -1.62 0.00 0.00 43.42 42.50 1cy4 n LEU 594 CO 0.50 -0.03 0.65 0.41 -1.22 0.00 0.00 177.39 177.70 1cy4 n THR 595 N -0.06 1.59 1.43 -5.08 -1.04 -1.26 -5.34 114.28 104.51 1cy4 n THR 595 Ca 0.00 -1.42 0.11 0.00 -2.04 0.00 0.00 64.05 60.70 1cy4 n THR 595 Cb 0.00 0.15 0.68 0.00 -1.82 0.00 0.00 70.33 69.34 1cy4 n THR 595 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89