#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iye n ALA 5 N 0.00 0.00 -0.09 3.14 0.00 -1.26 -4.80 120.51 117.50 1iye n ALA 5 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1iye n ALA 5 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1iye n ALA 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iye n ASP 6 N 0.00 2.03 -4.38 0.00 8.00 -1.26 -4.70 116.55 116.24 1iye n ASP 6 Ca 0.00 -0.06 -0.25 0.00 0.71 0.00 0.00 54.79 55.19 1iye n ASP 6 Cb 0.00 0.15 -0.12 0.00 -0.02 0.00 0.00 41.12 41.13 1iye n ASP 6 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1iye s TYR 7 N -2.38 2.09 -0.02 1.24 1.51 -1.26 -0.48 117.35 118.05 1iye s TYR 7 Ca -0.19 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 1iye s TYR 7 Cb 0.06 -1.06 0.01 0.00 -0.11 0.00 0.00 41.96 40.86 1iye s TYR 7 CO 0.51 0.40 -0.02 0.42 -1.11 0.00 0.00 175.55 175.75 1iye s ILE 8 N -1.67 0.25 -0.00 2.71 1.01 0.01 -4.67 121.20 118.83 1iye s ILE 8 Ca 0.17 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 1iye s ILE 8 Cb -0.08 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 42.08 1iye s ILE 8 CO 0.08 0.12 1.04 0.86 0.00 0.00 0.00 174.94 177.04 1iye s TRP 9 N 0.52 3.57 -0.15 3.97 -0.00 -0.74 -1.15 118.94 124.96 1iye s TRP 9 Ca -0.05 1.58 -0.04 0.00 -0.00 0.00 0.00 56.10 57.58 1iye s TRP 9 Cb -0.08 -3.21 0.06 0.00 -0.00 0.00 0.00 33.47 30.24 1iye s TRP 9 CO -0.01 -0.36 0.10 0.12 -0.00 0.00 0.00 176.95 176.79 1iye s PHE 10 N 1.22 0.12 -1.31 5.86 5.99 0.10 -1.26 117.98 128.69 1iye s PHE 10 Ca 0.53 -0.15 -0.12 0.00 0.00 0.00 0.00 56.93 57.20 1iye s PHE 10 Cb -0.23 -0.62 0.01 0.00 0.00 0.00 0.00 43.02 42.18 1iye s PHE 10 CO 0.27 -0.46 0.52 0.09 -0.00 0.00 0.00 175.22 175.64 1iye n ASN 11 N 5.29 -2.23 0.00 6.13 3.02 -0.36 -1.90 115.26 125.21 1iye n ASN 11 Ca -0.06 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1iye n ASN 11 Cb 0.49 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 36.93 1iye n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iye n GLY 12 N -1.99 2.15 3.23 7.41 0.00 -1.26 -5.03 105.19 109.69 1iye n GLY 12 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1iye n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iye s GLU 13 N -0.39 1.30 -0.77 1.61 -1.05 -0.80 -5.08 118.70 113.52 1iye s GLU 13 Ca 0.00 -0.91 -0.24 0.00 -0.15 0.00 0.00 54.97 53.67 1iye s GLU 13 Cb 0.00 -1.40 0.06 0.00 -0.44 0.00 0.00 34.13 32.35 1iye s GLU 13 CO 0.00 0.36 1.18 -1.64 0.95 0.00 0.00 175.26 176.11 1iye s MET 14 N -1.17 3.26 0.41 -4.83 -1.94 -1.26 0.01 119.30 113.78 1iye s MET 14 Ca 0.06 -0.72 0.02 0.00 -1.71 0.00 0.00 55.69 53.34 1iye s MET 14 Cb -0.09 -4.44 -0.01 0.00 2.01 0.00 0.00 34.83 32.31 1iye s MET 14 CO 0.02 -2.01 0.61 0.08 -0.01 0.00 0.00 175.02 173.71 1iye s VAL 15 N 4.75 4.08 0.44 -6.03 1.01 -0.30 -4.88 120.40 119.48 1iye s VAL 15 Ca 0.32 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 1iye s VAL 15 Cb -0.10 -3.48 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 1iye s VAL 15 CO 0.07 -0.30 0.96 0.00 0.00 0.00 0.00 175.10 175.83 1iye s ARG 16 N -4.44 4.18 0.18 2.72 1.70 -1.26 -0.81 118.95 121.21 1iye s ARG 16 Ca 0.47 1.13 -0.25 0.00 -0.47 0.00 0.00 55.73 56.61 1iye s ARG 16 Cb -0.10 -2.17 0.05 0.00 -0.57 0.00 0.00 34.95 32.17 1iye s ARG 16 CO 0.36 -0.08 1.56 2.35 -1.08 0.00 0.00 175.30 178.41 1iye h TRP 17 N 1.81 -1.30 0.00 5.89 2.91 -1.06 -0.29 115.95 123.91 1iye h TRP 17 Ca -0.49 0.09 0.00 0.00 1.13 0.00 0.00 58.89 59.62 1iye h TRP 17 Cb 1.18 0.66 0.00 0.00 -0.51 0.00 0.00 29.16 30.50 1iye h TRP 17 CO 0.62 -0.42 0.09 0.93 -1.03 0.00 0.00 178.44 178.63 1iye h GLU 18 N -0.18 0.00 -0.01 2.65 3.07 -1.92 -1.66 114.58 116.54 1iye h GLU 18 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1iye h GLU 18 Cb 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1iye h GLU 18 CO -0.75 0.00 -0.53 -0.25 -1.40 0.00 0.00 179.01 176.09 1iye n ASP 19 N -2.90 1.19 -4.22 1.42 8.00 -0.13 -4.72 116.55 115.18 1iye n ASP 19 Ca -0.03 -0.95 -0.42 0.00 0.71 0.00 0.00 54.79 54.11 1iye n ASP 19 Cb 0.15 0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 41.68 1iye n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iye n ALA 20 N -0.84 4.15 -2.40 2.24 0.00 -0.63 -4.91 120.51 118.14 1iye n ALA 20 Ca 0.08 -3.78 -0.20 0.00 0.00 0.00 0.00 53.44 49.54 1iye n ALA 20 Cb 0.37 -3.58 -0.10 0.00 0.00 0.00 0.00 19.45 16.14 1iye n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iye s LYS 21 N 4.04 1.39 0.14 0.00 1.02 -1.26 -5.09 119.74 119.98 1iye s LYS 21 Ca 0.53 -1.59 -0.00 0.00 0.02 0.00 0.00 55.97 54.92 1iye s LYS 21 Cb 0.08 -1.31 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 1iye s LYS 21 CO 0.02 0.24 0.04 0.14 -0.92 0.00 0.00 175.35 174.87 1iye s VAL 22 N -2.67 0.26 0.58 3.17 -7.23 -1.26 -5.15 120.40 108.10 1iye s VAL 22 Ca 0.23 -1.92 -0.19 0.00 -1.81 0.00 0.00 61.98 58.28 1iye s VAL 22 Cb -0.03 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 1iye s VAL 22 CO 0.09 -0.50 1.19 -2.28 -0.31 0.00 0.00 175.10 173.28 1iye s HIS 23 N -3.94 2.47 -0.61 2.82 2.46 -1.26 -4.90 115.29 112.33 1iye s HIS 23 Ca 0.23 1.52 0.20 0.00 0.47 0.00 0.00 55.06 57.48 1iye s HIS 23 Cb 0.07 -3.43 0.87 0.00 -0.13 0.00 0.00 32.58 29.95 1iye s HIS 23 CO 0.02 -2.04 1.62 1.33 -2.47 0.00 0.00 174.74 173.19 1iye n VAL 24 N -1.48 0.93 -0.52 0.89 0.24 -1.26 -1.72 118.33 115.42 1iye n VAL 24 Ca 0.13 0.29 0.07 0.00 -2.04 0.00 0.00 64.34 62.78 1iye n VAL 24 Cb 0.50 -1.18 0.34 0.00 -1.47 0.00 0.00 33.84 32.03 1iye n VAL 24 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1iye n MET 25 N -2.02 4.02 -1.98 7.34 2.81 -1.26 -4.89 117.12 121.14 1iye n MET 25 Ca 0.02 -2.63 -0.42 0.00 -1.81 0.00 0.00 57.70 52.86 1iye n MET 25 Cb 0.19 -2.04 -0.03 0.00 -0.71 0.00 0.00 33.22 30.63 1iye n MET 25 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1iye s SER 26 N -0.72 6.63 0.18 7.83 0.01 -0.70 -4.54 113.70 122.38 1iye s SER 26 Ca 0.46 2.58 -0.26 0.00 1.31 0.00 0.00 55.95 60.04 1iye s SER 26 Cb 0.33 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 64.01 1iye s SER 26 CO 0.16 -0.78 1.56 -0.74 0.41 0.00 0.00 173.24 173.85 1iye h HIS 27 N 6.56 -1.39 -0.54 2.43 2.76 -0.91 -1.28 115.15 122.78 1iye h HIS 27 Ca -0.43 0.10 0.16 0.00 -2.20 0.00 0.00 60.37 57.99 1iye h HIS 27 Cb 1.21 0.71 -0.02 0.00 1.55 0.00 0.00 27.41 30.85 1iye h HIS 27 CO 0.64 -0.41 0.47 0.00 -1.30 0.00 0.00 177.93 177.33 1iye h ALA 28 N 0.69 2.36 0.00 5.26 0.00 -1.33 0.10 119.26 126.34 1iye h ALA 28 Ca 0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1iye h ALA 28 Cb 0.54 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1iye h ALA 28 CO -0.79 -0.75 -0.24 1.25 0.00 0.00 0.00 179.25 178.73 1iye h LEU 29 N 0.00 0.00 0.00 0.00 5.85 -1.52 -2.16 115.31 117.48 1iye h LEU 29 Ca 0.26 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.85 1iye h LEU 29 Cb 1.20 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1iye h LEU 29 CO -0.00 0.24 -1.83 1.41 -0.34 0.00 0.00 178.44 177.92 1iye n HIS 30 N -3.39 0.00 -0.53 1.25 8.25 0.17 -4.73 115.22 116.24 1iye n HIS 30 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1iye n HIS 30 Cb 0.45 -0.52 0.02 0.00 1.12 0.00 0.00 29.99 31.06 1iye n HIS 30 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1iye n TYR 31 N -2.27 0.00 -1.74 4.41 4.02 -0.14 -5.00 117.16 116.44 1iye n TYR 31 Ca -0.13 -0.40 -0.20 0.00 -0.01 0.00 0.00 57.90 57.17 1iye n TYR 31 Cb 0.67 -0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 39.87 1iye n TYR 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iye n GLY 32 N -0.45 1.49 3.36 2.72 0.00 -0.81 -4.87 105.19 106.63 1iye n GLY 32 Ca 0.02 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1iye n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iye n THR 33 N -2.71 3.98 -3.68 2.61 -2.24 -1.25 -2.19 114.28 108.79 1iye n THR 33 Ca -0.21 -4.12 -0.10 0.00 -2.27 0.00 0.00 64.05 57.35 1iye n THR 33 Cb 0.67 -2.42 -0.05 0.00 -2.10 0.00 0.00 70.33 66.43 1iye n THR 33 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1iye s SER 34 N 3.45 -0.17 0.02 3.42 1.04 -1.26 -2.07 113.70 118.12 1iye s SER 34 Ca 0.49 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.56 1iye s SER 34 Cb 0.04 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 1iye s SER 34 CO 0.03 -0.84 -0.09 0.68 0.98 0.00 0.00 173.24 174.00 1iye s VAL 35 N -3.82 0.65 0.33 5.02 -7.23 -0.15 -0.77 120.40 114.42 1iye s VAL 35 Ca 0.04 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1iye s VAL 35 Cb 0.02 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.36 1iye s VAL 35 CO -0.11 -0.02 0.42 2.22 -0.31 0.00 0.00 175.10 177.30 1iye n PHE 36 N 2.32 -1.27 -4.13 2.82 1.16 -0.49 -0.72 117.46 117.15 1iye n PHE 36 Ca -0.17 -2.30 -0.11 0.00 -1.87 0.00 0.00 57.45 53.01 1iye n PHE 36 Cb 0.56 0.47 -0.08 0.00 -1.61 0.00 0.00 39.48 38.82 1iye n PHE 36 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1iye s GLU 37 N -2.85 1.31 -0.07 3.97 0.41 -0.60 -4.74 118.70 116.13 1iye s GLU 37 Ca 0.29 -1.50 0.00 0.00 -0.41 0.00 0.00 54.97 53.36 1iye s GLU 37 Cb -0.00 0.34 0.02 0.00 -1.78 0.00 0.00 34.13 32.71 1iye s GLU 37 CO 0.21 -0.47 -0.04 0.20 -0.49 0.00 0.00 175.26 174.67 1iye s GLY 38 N -3.11 0.57 0.02 -1.39 0.00 -1.26 -3.85 107.32 98.30 1iye s GLY 38 Ca 0.33 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.86 1iye s GLY 38 CO 0.11 0.69 -0.06 -0.42 0.00 0.00 0.00 173.10 173.41 1iye s ILE 39 N 1.36 0.43 -0.03 0.90 1.01 -0.23 -4.88 121.20 119.77 1iye s ILE 39 Ca -0.04 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.91 1iye s ILE 39 Cb -0.13 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 1iye s ILE 39 CO -0.03 -0.23 -0.19 -0.13 0.00 0.00 0.00 174.94 174.35 1iye s ARG 40 N -1.07 2.29 -0.18 2.79 0.52 -1.26 0.12 118.95 122.16 1iye s ARG 40 Ca -0.07 -0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 54.29 1iye s ARG 40 Cb -0.07 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 1iye s ARG 40 CO 0.00 0.59 -0.04 0.00 0.02 0.00 0.00 175.30 175.87 1iye s TYR 42 N 0.80 2.84 0.02 0.00 1.51 0.13 -1.36 117.35 121.29 1iye s TYR 42 Ca -0.01 -0.09 -0.24 0.00 -1.01 0.00 0.00 57.07 55.72 1iye s TYR 42 Cb -0.15 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 1iye s TYR 42 CO 0.02 0.42 0.72 0.34 -1.11 0.00 0.00 175.55 175.94 1iye s ASP 43 N -2.00 7.13 0.24 2.29 -1.08 -1.12 -0.60 116.67 121.54 1iye s ASP 43 Ca 0.21 1.35 0.04 0.00 -0.52 0.00 0.00 52.55 53.64 1iye s ASP 43 Cb -0.11 -2.44 -0.02 0.00 -1.46 0.00 0.00 42.92 38.89 1iye s ASP 43 CO 0.13 0.01 0.16 -1.54 0.52 0.00 0.00 175.17 174.45 1iye n SER 44 N 2.96 0.06 0.00 -0.34 3.41 -0.24 -4.95 113.62 114.52 1iye n SER 44 Ca -0.03 -2.47 0.04 0.00 -0.26 0.00 0.00 58.87 56.15 1iye n SER 44 Cb 0.51 0.98 0.20 0.00 -0.26 0.00 0.00 64.21 65.64 1iye n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iye n HIS 45 N -0.49 0.00 -1.49 7.33 1.44 -0.84 -1.01 115.22 120.16 1iye n HIS 45 Ca 0.02 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.80 1iye n HIS 45 Cb 0.41 -0.29 0.13 0.00 0.12 0.00 0.00 29.99 30.35 1iye n HIS 45 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1iye n LYS 46 N -1.29 1.05 0.00 -1.40 5.02 -1.26 -5.06 118.16 115.22 1iye n LYS 46 Ca 0.04 -2.48 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 1iye n LYS 46 Cb 0.06 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1iye n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iye n GLY 47 N -0.95 -1.82 3.69 0.72 0.00 -0.18 -4.84 105.19 101.81 1iye n GLY 47 Ca 0.13 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1iye n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iye s PRO 48 N 0.00 4.21 -0.03 1.61 0.04 -1.26 -1.08 135.00 138.48 1iye s PRO 48 Ca 0.00 2.31 0.03 0.00 0.04 0.00 0.00 61.00 63.37 1iye s PRO 48 Cb 0.00 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1iye s PRO 48 CO 0.00 -0.71 -0.10 0.14 0.04 0.00 0.00 177.00 176.37 1iye s VAL 49 N 2.44 0.90 -0.22 -0.36 -7.23 0.23 -0.41 120.40 115.76 1iye s VAL 49 Ca 0.73 -0.41 -0.18 0.00 -1.81 0.00 0.00 61.98 60.30 1iye s VAL 49 Cb -0.40 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 1iye s VAL 49 CO 0.32 0.28 0.51 -0.69 -0.31 0.00 0.00 175.10 175.21 1iye s VAL 50 N 0.23 5.10 -0.13 1.32 1.01 0.10 0.17 120.40 128.20 1iye s VAL 50 Ca -0.04 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 62.56 1iye s VAL 50 Cb -0.10 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1iye s VAL 50 CO 0.01 0.15 1.19 0.12 0.00 0.00 0.00 175.10 176.58 1iye s PHE 51 N 1.83 3.07 -1.38 5.22 5.36 -0.53 -1.65 117.98 129.90 1iye s PHE 51 Ca 0.23 1.18 -0.10 0.00 -0.96 0.00 0.00 56.93 57.28 1iye s PHE 51 Cb -0.15 -3.42 0.01 0.00 -0.34 0.00 0.00 43.02 39.11 1iye s PHE 51 CO 0.09 -1.31 0.39 0.54 -1.46 0.00 0.00 175.22 173.47 1iye n ARG 52 N 6.00 -1.69 0.27 10.12 1.74 0.18 -4.67 116.66 128.61 1iye n ARG 52 Ca 0.12 0.25 -0.17 0.00 -0.77 0.00 0.00 57.85 57.29 1iye n ARG 52 Cb 0.46 -3.79 -0.08 0.00 -1.02 0.00 0.00 32.46 28.02 1iye n ARG 52 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1iye h HIS 53 N -1.99 -1.07 -1.00 -1.55 2.76 -1.76 -2.53 115.15 108.02 1iye h HIS 53 Ca -0.66 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 57.53 1iye h HIS 53 Cb 1.39 0.41 -0.05 0.00 1.55 0.00 0.00 27.41 30.70 1iye h HIS 53 CO 0.45 -0.56 0.66 -0.09 -1.30 0.00 0.00 177.93 177.10 1iye h ARG 54 N -0.84 1.29 -0.63 5.26 2.43 -1.92 -2.43 114.38 117.53 1iye h ARG 54 Ca -0.04 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1iye h ARG 54 Cb 0.74 -0.29 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 1iye h ARG 54 CO -0.04 0.85 0.35 0.93 -1.51 0.00 0.00 179.97 180.56 1iye h GLU 55 N 1.33 0.65 -0.35 0.20 3.07 -1.91 0.45 114.58 118.02 1iye h GLU 55 Ca 0.37 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.15 1iye h GLU 55 Cb -0.12 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.64 1iye h GLU 55 CO -0.09 0.43 0.04 0.45 -1.40 0.00 0.00 179.01 178.43 1iye h HIS 56 N 0.67 0.64 0.00 4.33 3.86 -1.01 -1.36 115.15 122.28 1iye h HIS 56 Ca 0.28 -0.10 -0.06 0.00 -1.16 0.00 0.00 60.37 59.33 1iye h HIS 56 Cb 0.14 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1iye h HIS 56 CO -0.08 0.67 -0.27 0.52 0.86 0.00 0.00 177.93 179.63 1iye h MET 57 N 0.42 0.00 -0.24 2.45 2.86 -1.09 -0.50 114.93 118.82 1iye h MET 57 Ca 0.10 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.59 1iye h MET 57 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1iye h MET 57 CO 0.01 0.27 -0.44 0.37 1.06 0.00 0.00 176.91 178.19 1iye h GLN 58 N 0.00 0.72 -0.39 1.72 5.75 -0.65 -1.77 115.11 120.50 1iye h GLN 58 Ca -0.00 -0.45 -0.08 0.00 -0.15 0.00 0.00 58.65 57.97 1iye h GLN 58 Cb 0.55 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1iye h GLN 58 CO 0.04 1.08 -0.08 -0.09 -2.65 0.00 0.00 178.83 177.12 1iye h ARG 59 N 0.45 0.67 -0.66 1.69 2.43 -0.74 0.16 114.38 118.37 1iye h ARG 59 Ca 0.01 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1iye h ARG 59 Cb 1.04 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 1iye h ARG 59 CO 0.10 0.75 0.42 1.25 -1.51 0.00 0.00 179.97 180.98 1iye h LEU 60 N 0.62 0.71 -0.33 3.80 6.46 -0.94 0.22 115.31 125.84 1iye h LEU 60 Ca 0.11 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.81 1iye h LEU 60 Cb 0.51 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1iye h LEU 60 CO 0.03 0.50 -0.01 0.45 -0.62 0.00 0.00 178.44 178.79 1iye h HIS 61 N 0.84 0.65 -0.82 1.25 3.86 -0.62 -2.42 115.15 117.89 1iye h HIS 61 Ca 0.26 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1iye h HIS 61 Cb -0.03 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.23 1iye h HIS 61 CO -0.04 0.71 0.53 -0.44 0.86 0.00 0.00 177.93 179.56 1iye h ASP 62 N 0.40 0.89 -0.08 2.45 3.32 -0.04 -0.28 116.42 123.08 1iye h ASP 62 Ca 0.09 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1iye h ASP 62 Cb 0.46 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1iye h ASP 62 CO 0.02 0.62 0.04 0.28 -1.72 0.00 0.00 179.24 178.48 1iye h SER 63 N 1.05 0.10 -0.71 6.45 0.02 -0.49 -2.29 113.55 117.68 1iye h SER 63 Ca 0.32 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1iye h SER 63 Cb -0.03 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1iye h SER 63 CO -0.10 0.17 0.45 0.00 -1.14 0.00 0.00 176.83 176.21 1iye h ALA 64 N 0.93 0.93 -0.91 3.77 0.00 -1.09 -2.71 119.26 120.18 1iye h ALA 64 Ca 0.03 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1iye h ALA 64 Cb 0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1iye h ALA 64 CO -0.00 0.24 0.58 -0.22 0.00 0.00 0.00 179.25 179.85 1iye h LYS 65 N 0.89 1.05 -0.72 0.00 3.64 -0.77 0.18 116.57 120.84 1iye h LYS 65 Ca 0.28 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1iye h LYS 65 Cb -0.00 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 1iye h LYS 65 CO -0.10 0.70 0.41 0.82 -2.27 0.00 0.00 179.45 179.00 1iye h ILE 66 N 1.09 1.21 -0.02 2.00 2.04 -1.09 -1.93 117.51 120.81 1iye h ILE 66 Ca 0.38 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1iye h ILE 66 Cb 0.10 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1iye h ILE 66 CO -0.15 0.23 -0.05 -1.22 0.00 0.00 0.00 178.15 176.97 1iye n TYR 67 N -4.37 0.00 -2.51 1.37 4.02 -0.82 -4.94 117.16 109.91 1iye n TYR 67 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.80 1iye n TYR 67 Cb 0.09 -0.01 0.01 0.00 -0.02 0.00 0.00 39.34 39.40 1iye n TYR 67 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1iye n ARG 68 N 0.41 -2.24 -2.64 -0.72 1.74 0.45 -4.97 116.66 108.69 1iye n ARG 68 Ca 0.17 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.58 1iye n ARG 68 Cb 0.43 -5.19 -0.03 0.00 -1.02 0.00 0.00 32.46 26.66 1iye n ARG 68 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1iye s PHE 69 N -2.90 3.47 0.08 -1.55 0.08 -0.11 -4.99 117.98 112.06 1iye s PHE 69 Ca 0.09 1.53 -0.31 0.00 0.12 0.00 0.00 56.93 58.36 1iye s PHE 69 Cb -0.04 -3.23 -0.06 0.00 -0.57 0.00 0.00 43.02 39.12 1iye s PHE 69 CO 0.11 -0.43 1.28 -1.25 -0.10 0.00 0.00 175.22 174.82 1iye s PRO 70 N 1.90 4.38 -0.21 0.24 0.04 -1.26 -4.51 135.00 135.58 1iye s PRO 70 Ca 0.50 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.44 1iye s PRO 70 Cb -0.20 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.05 1iye s PRO 70 CO 0.20 -0.34 -0.14 0.08 0.04 0.00 0.00 177.00 176.84 1iye s VAL 71 N 1.14 2.34 -0.73 -0.36 1.01 -1.26 -3.85 120.40 118.70 1iye s VAL 71 Ca 0.61 -1.06 0.25 0.00 0.00 0.00 0.00 61.98 61.78 1iye s VAL 71 Cb -0.32 -2.11 0.14 0.00 0.00 0.00 0.00 36.38 34.09 1iye s VAL 71 CO 0.29 0.35 1.53 -1.54 0.00 0.00 0.00 175.10 175.74 1iye n SER 72 N 4.61 0.68 -4.89 3.32 3.41 -1.26 -4.86 113.62 114.62 1iye n SER 72 Ca -0.18 0.28 -0.34 0.00 -0.26 0.00 0.00 58.87 58.37 1iye n SER 72 Cb 0.48 -0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1iye n SER 72 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1iye s GLN 73 N -3.12 3.57 0.60 4.33 1.11 -1.26 -5.10 119.66 119.79 1iye s GLN 73 Ca 0.09 -0.12 -0.03 0.00 0.01 0.00 0.00 55.36 55.31 1iye s GLN 73 Cb 0.14 -3.03 0.03 0.00 -1.01 0.00 0.00 33.01 29.14 1iye s GLN 73 CO 0.66 0.61 0.87 -1.54 0.01 0.00 0.00 175.29 175.90 1iye s SER 74 N -1.94 5.30 0.24 5.90 1.04 -1.26 -4.92 113.70 118.07 1iye s SER 74 Ca 0.31 0.39 -0.07 0.00 0.48 0.00 0.00 55.95 57.06 1iye s SER 74 Cb -0.13 -1.28 0.26 0.00 0.10 0.00 0.00 66.02 64.97 1iye s SER 74 CO 0.19 -1.20 1.89 0.40 0.98 0.00 0.00 173.24 175.50 1iye h ILE 75 N -0.16 1.17 -0.00 -1.02 2.04 -1.99 -2.04 117.51 115.50 1iye h ILE 75 Ca -0.44 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 1iye h ILE 75 Cb 1.28 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1iye h ILE 75 CO 0.58 0.21 -0.43 0.44 0.00 0.00 0.00 178.15 178.94 1iye h ASP 76 N 1.14 0.01 -0.16 1.72 3.32 -1.98 -0.67 116.42 119.79 1iye h ASP 76 Ca 0.35 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.22 1iye h ASP 76 Cb -0.03 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1iye h ASP 76 CO -0.11 0.44 -0.56 -0.33 -1.72 0.00 0.00 179.24 176.96 1iye h GLU 77 N 0.01 0.75 -0.39 3.56 5.08 -1.82 0.32 114.58 122.09 1iye h GLU 77 Ca -0.00 -0.48 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 1iye h GLU 77 Cb 0.77 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1iye h GLU 77 CO 0.06 1.11 0.04 -0.07 -1.00 0.00 0.00 179.01 179.14 1iye h LEU 78 N 0.57 0.64 -0.69 1.33 3.38 -1.14 -0.55 115.31 118.86 1iye h LEU 78 Ca 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1iye h LEU 78 Cb 1.15 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1iye h LEU 78 CO 0.12 0.77 0.43 0.24 0.09 0.00 0.00 178.44 180.08 1iye h MET 79 N 0.50 0.92 -0.53 1.13 2.86 -0.95 0.12 114.93 118.98 1iye h MET 79 Ca 0.11 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 1iye h MET 79 Cb 0.41 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1iye h MET 79 CO 0.01 0.64 0.04 1.49 1.06 0.00 0.00 176.91 180.15 1iye h GLU 80 N 0.93 0.87 -0.46 1.72 4.57 -0.69 -0.55 114.58 120.97 1iye h GLU 80 Ca 0.25 -0.23 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 1iye h GLU 80 Cb -0.06 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1iye h GLU 80 CO -0.05 0.84 -0.07 0.00 -1.18 0.00 0.00 179.01 178.55 1iye h ALA 81 N 1.22 0.62 0.11 2.92 0.00 -0.47 -0.29 119.26 123.37 1iye h ALA 81 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1iye h ALA 81 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iye h ALA 81 CO 0.02 0.48 -0.05 0.00 0.00 0.00 0.00 179.25 179.70 1iye h ARG 83 N -0.20 0.70 -0.42 0.00 3.08 -0.99 -2.25 114.38 114.31 1iye h ARG 83 Ca -0.02 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1iye h ARG 83 Cb 0.16 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1iye h ARG 83 CO 0.03 0.46 0.24 -0.44 -1.07 0.00 0.00 179.97 179.19 1iye h ASP 84 N 0.72 0.38 -0.52 7.04 3.32 -0.45 -2.18 116.42 124.72 1iye h ASP 84 Ca 0.34 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1iye h ASP 84 Cb 0.26 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1iye h ASP 84 CO -0.21 0.27 0.28 0.58 -1.72 0.00 0.00 179.24 178.43 1iye h VAL 85 N 0.48 1.18 0.00 -1.35 2.07 -0.36 0.19 116.25 118.46 1iye h VAL 85 Ca 0.17 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1iye h VAL 85 Cb 0.03 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1iye h VAL 85 CO -0.09 0.21 -0.00 0.40 0.02 0.00 0.00 177.57 178.10 1iye h ILE 86 N 0.77 1.23 0.51 4.57 2.04 -1.09 -2.65 117.51 122.89 1iye h ILE 86 Ca 0.19 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1iye h ILE 86 Cb 0.06 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1iye h ILE 86 CO -0.03 0.18 -0.24 0.03 0.00 0.00 0.00 178.15 178.09 1iye h ARG 87 N -0.30 -0.66 -1.07 2.37 3.08 -1.10 -2.02 114.38 114.69 1iye h ARG 87 Ca -0.00 0.04 0.29 0.00 0.07 0.00 0.00 59.98 60.39 1iye h ARG 87 Cb 0.30 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 1iye h ARG 87 CO 0.00 -0.38 0.73 0.87 -1.07 0.00 0.00 179.97 180.12 1iye h LYS 88 N -0.82 0.19 -0.24 0.04 6.56 -0.69 0.82 116.57 122.43 1iye h LYS 88 Ca -0.07 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1iye h LYS 88 Cb 0.58 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 1iye h LYS 88 CO 0.11 0.12 0.00 0.09 -2.06 0.00 0.00 179.45 177.72 1iye n ASN 89 N -4.41 2.44 -3.71 0.86 3.02 -1.00 -4.89 115.26 107.57 1iye n ASN 89 Ca 0.24 -1.84 -0.30 0.00 -0.03 0.00 0.00 54.58 52.66 1iye n ASN 89 Cb 1.02 -0.15 0.04 0.00 -0.61 0.00 0.00 39.78 40.07 1iye n ASN 89 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1iye n ASN 90 N 0.84 -4.37 -4.40 6.41 4.13 0.29 -4.93 115.26 113.23 1iye n ASN 90 Ca 0.17 -1.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.13 1iye n ASN 90 Cb 0.45 -3.42 -0.14 0.00 -1.54 0.00 0.00 39.78 35.13 1iye n ASN 90 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1iye s LEU 91 N -6.53 2.39 -0.01 3.41 1.43 -0.81 -5.00 118.68 113.55 1iye s LEU 91 Ca 0.38 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1iye s LEU 91 Cb -0.13 -1.42 -0.10 0.00 0.03 0.00 0.00 46.19 44.57 1iye s LEU 91 CO 0.86 0.28 0.22 0.35 0.23 0.00 0.00 176.35 178.29 1iye n THR 92 N 1.87 0.00 -3.77 5.49 -2.24 -1.26 -4.66 114.28 109.71 1iye n THR 92 Ca -0.16 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1iye n THR 92 Cb 0.52 0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 69.20 1iye n THR 92 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1iye s SER 93 N -2.41 -0.14 0.04 3.42 1.04 -1.26 -2.80 113.70 111.59 1iye s SER 93 Ca -0.01 0.32 -0.28 0.00 0.48 0.00 0.00 55.95 56.46 1iye s SER 93 Cb 0.05 0.24 0.10 0.00 0.10 0.00 0.00 66.02 66.51 1iye s SER 93 CO 0.30 -0.12 1.21 0.00 0.98 0.00 0.00 173.24 175.62 1iye s ALA 94 N 0.80 -2.14 -0.12 5.32 0.00 -0.46 -4.59 121.76 120.57 1iye s ALA 94 Ca -0.06 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1iye s ALA 94 Cb -0.08 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1iye s ALA 94 CO -0.04 -1.08 -0.12 -0.47 0.00 0.00 0.00 175.76 174.05 1iye s TYR 95 N -2.36 2.83 -0.10 0.00 5.04 0.36 -0.49 117.35 122.63 1iye s TYR 95 Ca 0.20 -0.51 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 1iye s TYR 95 Cb 0.01 -1.82 -0.02 0.00 0.35 0.00 0.00 41.96 40.48 1iye s TYR 95 CO -0.01 -0.11 -0.10 0.42 -1.34 0.00 0.00 175.55 174.41 1iye s ILE 96 N 0.15 3.38 -0.43 3.14 1.09 0.32 -1.22 121.20 127.63 1iye s ILE 96 Ca -0.06 -0.57 0.03 0.00 -1.10 0.00 0.00 60.65 58.95 1iye s ILE 96 Cb -0.15 -2.40 0.12 0.00 -1.06 0.00 0.00 42.46 38.97 1iye s ILE 96 CO 0.05 0.55 0.18 -0.60 -0.10 0.00 0.00 174.94 175.01 1iye s ARG 97 N -0.13 1.53 0.18 2.79 6.06 0.79 -1.06 118.95 129.10 1iye s ARG 97 Ca 0.00 -2.09 -0.27 0.00 -2.50 0.00 0.00 55.73 50.87 1iye s ARG 97 Cb -0.13 -2.90 -0.08 0.00 0.06 0.00 0.00 34.95 31.90 1iye s ARG 97 CO 0.03 -1.06 0.84 -2.14 -2.50 0.00 0.00 175.30 170.47 1iye s PRO 98 N 0.42 4.67 -0.07 5.12 0.02 -1.25 -2.48 135.00 141.42 1iye s PRO 98 Ca 0.15 1.28 -0.03 0.00 0.02 0.00 0.00 61.00 62.41 1iye s PRO 98 Cb -0.23 -3.28 0.04 0.00 0.02 0.00 0.00 34.50 31.05 1iye s PRO 98 CO -0.05 0.51 0.14 -1.17 -0.33 0.00 0.00 177.00 176.10 1iye s LEU 99 N -1.01 0.12 -0.22 -5.54 0.20 0.36 -1.55 118.68 111.04 1iye s LEU 99 Ca 0.38 0.28 -0.04 0.00 0.69 0.00 0.00 54.13 55.44 1iye s LEU 99 Cb -0.24 0.21 -0.01 0.00 -0.43 0.00 0.00 46.19 45.73 1iye s LEU 99 CO 0.28 -0.23 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.44 1iye s ILE 100 N 2.06 3.39 0.04 6.68 1.01 0.10 -1.31 121.20 133.17 1iye s ILE 100 Ca 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1iye s ILE 100 Cb -0.12 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1iye s ILE 100 CO -0.05 0.42 -0.05 0.72 0.00 0.00 0.00 174.94 175.98 1iye s PHE 101 N 1.47 0.47 -0.22 3.97 -0.12 -0.25 -0.98 117.98 122.33 1iye s PHE 101 Ca 0.06 -0.61 -0.29 0.00 -0.05 0.00 0.00 56.93 56.04 1iye s PHE 101 Cb -0.14 -0.31 0.00 0.00 -0.63 0.00 0.00 43.02 41.94 1iye s PHE 101 CO -0.03 -0.17 1.15 0.08 -0.05 0.00 0.00 175.22 176.20 1iye s VAL 102 N -1.86 4.47 0.00 -2.49 1.01 -0.88 -0.71 120.40 119.94 1iye s VAL 102 Ca -0.09 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1iye s VAL 102 Cb -0.07 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1iye s VAL 102 CO -0.02 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.48 1iye n GLY 103 N 3.55 1.57 3.57 4.51 0.00 -1.26 -1.17 105.19 115.96 1iye n GLY 103 Ca 0.13 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 1iye n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iye s ASP 104 N -1.00 4.70 0.00 1.61 3.68 -1.26 -0.99 116.67 123.41 1iye s ASP 104 Ca 0.00 -1.06 0.00 0.00 2.13 0.00 0.00 52.55 53.62 1iye s ASP 104 Cb 0.00 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 38.89 1iye s ASP 104 CO 0.00 -3.32 0.90 1.33 0.13 0.00 0.00 175.17 174.21 1iye n VAL 105 N 8.12 0.80 0.00 1.11 0.24 -1.26 -4.99 118.33 122.35 1iye n VAL 105 Ca 0.43 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1iye n VAL 105 Cb 0.46 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 1iye n VAL 105 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iye n GLY 106 N -0.40 2.38 3.77 7.63 0.00 -1.26 -4.61 105.19 112.70 1iye n GLY 106 Ca 0.00 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 1iye n GLY 106 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iye s MET 107 N -3.55 1.99 0.00 1.61 -1.94 -1.26 -4.81 119.30 111.34 1iye s MET 107 Ca 0.00 0.83 0.00 0.00 -1.71 0.00 0.00 55.69 54.81 1iye s MET 107 Cb 0.00 -1.89 0.00 0.00 2.01 0.00 0.00 34.83 34.95 1iye s MET 107 CO 0.00 -1.73 0.00 0.41 -0.01 0.00 0.00 175.02 173.69 1iye n GLY 108 N -1.64 1.99 0.46 -0.03 0.00 -1.26 -4.89 105.19 99.82 1iye n GLY 108 Ca 0.07 -1.21 0.27 0.00 0.00 0.00 0.00 46.02 45.15 1iye n GLY 108 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1iye h VAL 109 N 0.00 0.54 -3.57 1.61 3.04 -2.00 -3.37 116.25 112.49 1iye h VAL 109 Ca 0.00 -0.05 -0.63 0.00 -1.01 0.00 0.00 66.70 65.01 1iye h VAL 109 Cb 0.00 0.37 -0.13 0.00 -2.01 0.00 0.00 31.29 29.53 1iye h VAL 109 CO 0.00 0.03 0.25 0.20 -1.01 0.00 0.00 177.57 177.04 1iye s ASN 110 N -5.46 6.45 0.59 3.17 -0.87 -1.26 -5.04 114.94 112.52 1iye s ASN 110 Ca -0.06 0.12 -0.19 0.00 -1.57 0.00 0.00 52.86 51.16 1iye s ASN 110 Cb 0.23 -2.36 -0.04 0.00 -0.02 0.00 0.00 41.25 39.06 1iye s ASN 110 CO 0.79 -0.72 1.18 -2.84 -2.57 0.00 0.00 177.10 172.94 1iye s PRO 111 N 2.95 3.03 0.46 -0.60 0.02 -1.26 -4.97 135.00 134.64 1iye s PRO 111 Ca 0.27 1.75 -0.23 0.00 0.02 0.00 0.00 61.00 62.81 1iye s PRO 111 Cb -0.14 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.37 1iye s PRO 111 CO 0.17 -1.14 1.19 -1.25 -0.33 0.00 0.00 177.00 175.64 1iye s PRO 112 N -3.38 3.73 0.34 5.54 0.04 -1.26 -4.95 135.00 135.06 1iye s PRO 112 Ca 0.76 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 63.35 1iye s PRO 112 Cb -0.28 -2.42 -0.13 0.00 0.04 0.00 0.00 34.50 31.71 1iye s PRO 112 CO 0.32 -0.59 1.13 0.00 0.04 0.00 0.00 177.00 177.90 1iye n ALA 113 N -0.48 0.50 -0.88 8.56 0.00 -1.26 -2.65 120.51 124.30 1iye n ALA 113 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1iye n ALA 113 Cb 0.48 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1iye n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iye n GLY 114 N 1.02 0.76 3.66 0.00 0.00 -1.26 -5.04 105.19 104.32 1iye n GLY 114 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1iye n GLY 114 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iye s TYR 115 N -2.95 1.97 0.13 1.61 -0.85 -1.08 -5.08 117.35 111.09 1iye s TYR 115 Ca 0.00 0.95 0.04 0.00 -0.52 0.00 0.00 57.07 57.54 1iye s TYR 115 Cb 0.00 -3.27 -0.04 0.00 0.38 0.00 0.00 41.96 39.03 1iye s TYR 115 CO 0.00 -3.06 -0.10 -1.12 -1.52 0.00 0.00 175.55 169.75 1iye s SER 116 N -3.41 1.60 0.18 -0.18 0.01 -1.26 -4.84 113.70 105.80 1iye s SER 116 Ca 0.66 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1iye s SER 116 Cb -0.19 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1iye s SER 116 CO 0.58 -0.33 0.35 0.42 0.41 0.00 0.00 173.24 174.67 1iye s THR 117 N -3.12 5.25 -0.00 1.44 -4.23 -1.25 -4.50 115.64 109.22 1iye s THR 117 Ca 0.13 -0.47 -0.10 0.00 -1.18 0.00 0.00 61.69 60.07 1iye s THR 117 Cb 0.01 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 1iye s THR 117 CO -0.00 -0.15 0.32 -1.81 -0.54 0.00 0.00 174.62 172.44 1iye s ASP 118 N -3.19 6.60 -0.04 3.99 1.01 0.11 -4.91 116.67 120.24 1iye s ASP 118 Ca 0.37 0.72 0.04 0.00 0.71 0.00 0.00 52.55 54.39 1iye s ASP 118 Cb -0.11 -2.15 -0.00 0.00 1.01 0.00 0.00 42.92 41.66 1iye s ASP 118 CO 0.29 0.29 -0.18 -0.69 0.21 0.00 0.00 175.17 175.09 1iye s VAL 119 N -1.20 1.47 0.05 -1.27 1.01 -1.26 -1.09 120.40 118.10 1iye s VAL 119 Ca 0.25 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1iye s VAL 119 Cb -0.14 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1iye s VAL 119 CO 0.13 0.42 -0.11 -0.63 0.00 0.00 0.00 175.10 174.91 1iye s ILE 120 N 0.03 0.88 -0.23 2.22 1.09 -0.43 -1.23 121.20 123.54 1iye s ILE 120 Ca -0.04 -1.06 -0.03 0.00 -1.10 0.00 0.00 60.65 58.42 1iye s ILE 120 Cb -0.12 -0.85 0.10 0.00 -1.06 0.00 0.00 42.46 40.53 1iye s ILE 120 CO 0.02 -0.18 0.21 -0.63 -0.10 0.00 0.00 174.94 174.27 1iye s ILE 121 N -1.08 -0.29 0.02 2.92 1.01 -0.39 -0.49 121.20 122.90 1iye s ILE 121 Ca -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1iye s ILE 121 Cb -0.09 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1iye s ILE 121 CO 0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 174.94 174.61 1iye s ALA 122 N 2.29 3.27 0.00 9.38 0.00 -1.04 -1.79 121.76 133.87 1iye s ALA 122 Ca 0.07 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1iye s ALA 122 Cb -0.15 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 1iye s ALA 122 CO -0.20 0.66 -0.14 0.00 0.00 0.00 0.00 175.76 176.08 1iye s ALA 123 N -1.14 1.16 -0.04 0.00 0.00 -1.26 -0.15 121.76 120.32 1iye s ALA 123 Ca 0.21 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 1iye s ALA 123 Cb -0.12 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 22.85 1iye s ALA 123 CO 0.12 0.26 0.91 -0.59 0.00 0.00 0.00 175.76 176.46 1iye s PHE 124 N -0.48 -0.36 0.01 0.00 -0.12 -0.36 -4.58 117.98 112.09 1iye s PHE 124 Ca 0.04 0.33 -0.30 0.00 -0.05 0.00 0.00 56.93 56.95 1iye s PHE 124 Cb -0.06 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 1iye s PHE 124 CO 0.00 -0.50 1.28 -2.14 -0.05 0.00 0.00 175.22 173.81 1iye s PRO 125 N -2.62 4.35 -0.04 1.99 0.02 -1.26 0.14 135.00 137.57 1iye s PRO 125 Ca 0.03 1.84 -0.01 0.00 0.02 0.00 0.00 61.00 62.88 1iye s PRO 125 Cb -0.01 -3.47 0.03 0.00 0.02 0.00 0.00 34.50 31.07 1iye s PRO 125 CO -0.06 -0.43 0.04 -0.46 -0.33 0.00 0.00 177.00 175.76 1iye s TRP 126 N 1.81 0.20 0.00 6.54 -0.00 -1.26 -4.85 118.94 121.38 1iye s TRP 126 Ca 0.60 0.13 0.00 0.00 -0.00 0.00 0.00 56.10 56.83 1iye s TRP 126 Cb -0.30 -0.49 0.00 0.00 -0.00 0.00 0.00 33.47 32.69 1iye s TRP 126 CO 0.26 -0.19 0.00 0.41 -0.00 0.00 0.00 176.95 177.43 1iye n GLY 127 N 4.94 -1.40 3.66 5.86 0.00 -1.26 -4.81 105.19 112.19 1iye n GLY 127 Ca -0.11 -1.60 -0.50 0.00 0.00 0.00 0.00 46.02 43.81 1iye n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iye n ALA 128 N -3.00 0.39 -0.30 4.61 0.00 -1.26 -4.87 120.51 116.08 1iye n ALA 128 Ca 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.82 1iye n ALA 128 Cb 0.00 -2.30 0.09 0.00 0.00 0.00 0.00 19.45 17.24 1iye n ALA 128 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1iye h TYR 129 N 6.70 0.99 -0.59 0.00 3.20 -1.88 -3.03 116.97 122.36 1iye h TYR 129 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 1iye h TYR 129 Cb 1.29 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.23 1iye h TYR 129 CO 0.71 0.59 0.00 1.28 -1.64 0.00 0.00 178.16 179.10 1iye n LEU 130 N -4.56 4.97 0.00 2.82 4.77 -1.26 -5.01 117.00 118.73 1iye n LEU 130 Ca 0.09 -2.64 0.00 0.00 -0.03 0.00 0.00 56.01 53.44 1iye n LEU 130 Cb 0.06 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1iye n LEU 130 CO 0.34 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 1iye n GLY 131 N 0.82 3.57 0.31 -0.72 0.00 -1.15 -4.58 105.19 103.45 1iye n GLY 131 Ca 0.26 -1.79 0.18 0.00 0.00 0.00 0.00 46.02 44.67 1iye n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iye h ALA 132 N 0.00 1.19 -0.01 4.61 0.00 -1.97 -2.70 119.26 120.38 1iye h ALA 132 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iye h ALA 132 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iye h ALA 132 CO 0.00 0.03 -0.14 0.39 0.00 0.00 0.00 179.25 179.53 1iye n GLU 133 N -3.38 1.59 -0.04 0.00 -0.58 -1.26 -4.81 120.64 112.16 1iye n GLU 133 Ca -0.02 -0.76 -0.03 0.00 -0.42 0.00 0.00 57.16 55.93 1iye n GLU 133 Cb 0.13 -1.12 -0.02 0.00 -0.57 0.00 0.00 31.44 29.86 1iye n GLU 133 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iye h ALA 134 N 1.83 -0.33 -0.99 0.62 0.00 -1.72 -1.20 119.26 117.47 1iye h ALA 134 Ca 0.00 0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.16 1iye h ALA 134 Cb 0.37 0.87 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1iye h ALA 134 CO 0.00 -0.39 0.65 -0.07 0.00 0.00 0.00 179.25 179.43 1iye h LEU 135 N -0.06 0.42 0.00 0.00 3.38 -1.85 0.12 115.31 117.32 1iye h LEU 135 Ca 0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1iye h LEU 135 Cb 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1iye h LEU 135 CO -0.14 0.12 -0.23 -0.33 0.09 0.00 0.00 178.44 177.95 1iye h GLU 136 N 0.40 0.00 0.00 1.13 3.07 -1.84 -3.42 114.58 113.92 1iye h GLU 136 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1iye h GLU 136 Cb 1.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1iye h GLU 136 CO -0.24 0.00 -0.28 1.96 -1.40 0.00 0.00 179.01 179.05 1iye h GLN 137 N -0.94 0.00 0.00 2.33 4.20 -1.23 -3.41 115.11 116.07 1iye h GLN 137 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1iye h GLN 137 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1iye h GLN 137 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1iye n GLY 138 N 1.14 -0.63 3.49 3.46 0.00 0.43 -4.52 105.19 108.56 1iye n GLY 138 Ca 0.03 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1iye n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iye s ILE 139 N -2.52 1.72 -0.26 -0.61 -5.25 0.20 -4.70 121.20 109.78 1iye s ILE 139 Ca 0.00 -2.09 -0.14 0.00 -0.99 0.00 0.00 60.65 57.44 1iye s ILE 139 Cb 0.00 -2.67 -0.04 0.00 2.95 0.00 0.00 42.46 42.70 1iye s ILE 139 CO 0.00 -0.16 0.31 -1.81 -1.79 0.00 0.00 174.94 171.50 1iye s ASP 140 N -3.53 6.20 0.24 4.36 1.01 -1.26 -1.08 116.67 122.60 1iye s ASP 140 Ca 0.33 0.22 0.07 0.00 0.71 0.00 0.00 52.55 53.87 1iye s ASP 140 Cb 0.06 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 1iye s ASP 140 CO 0.15 -0.12 0.21 0.00 0.21 0.00 0.00 175.17 175.61 1iye s ALA 141 N 1.84 3.63 -0.01 5.23 0.00 0.50 -1.28 121.76 131.66 1iye s ALA 141 Ca 0.13 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1iye s ALA 141 Cb -0.16 -1.36 -0.00 0.00 0.00 0.00 0.00 23.12 21.60 1iye s ALA 141 CO 0.10 0.29 -0.06 1.41 0.00 0.00 0.00 175.76 177.49 1iye s MET 142 N -3.75 0.54 -0.12 0.00 1.75 -0.79 -0.61 119.30 116.32 1iye s MET 142 Ca 0.33 -0.22 -0.27 0.00 -1.25 0.00 0.00 55.69 54.28 1iye s MET 142 Cb -0.08 -0.53 -0.02 0.00 2.84 0.00 0.00 34.83 37.05 1iye s MET 142 CO 0.25 0.12 0.90 0.08 -0.65 0.00 0.00 175.02 175.73 1iye s VAL 143 N -0.06 4.85 0.68 10.11 1.01 -1.26 -0.26 120.40 135.47 1iye s VAL 143 Ca 0.01 1.82 -0.11 0.00 0.00 0.00 0.00 61.98 63.70 1iye s VAL 143 Cb -0.03 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1iye s VAL 143 CO -0.00 0.05 1.06 -0.55 0.00 0.00 0.00 175.10 175.65 1iye s SER 144 N 1.08 5.47 0.00 3.32 0.15 0.35 -4.88 113.70 119.19 1iye s SER 144 Ca 0.43 1.63 0.27 0.00 0.70 0.00 0.00 55.95 58.98 1iye s SER 144 Cb -0.18 -2.50 0.89 0.00 -1.71 0.00 0.00 66.02 62.52 1iye s SER 144 CO 0.16 -1.38 1.65 -1.54 1.20 0.00 0.00 173.24 173.33 1iye n SER 145 N -2.98 1.77 -4.61 5.45 3.41 -1.26 -4.75 113.62 110.65 1iye n SER 145 Ca 0.08 -1.60 -0.34 0.00 -0.26 0.00 0.00 58.87 56.74 1iye n SER 145 Cb 0.53 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 1iye n SER 145 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1iye s TRP 146 N -1.98 3.09 0.21 7.33 0.52 -1.26 -5.12 118.94 121.73 1iye s TRP 146 Ca 0.36 0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.51 1iye s TRP 146 Cb 0.21 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.65 1iye s TRP 146 CO 0.32 0.28 0.39 -0.80 0.02 0.00 0.00 176.95 177.16 1iye s ASN 147 N -0.44 6.36 0.55 2.95 -0.87 -1.26 -4.39 114.94 117.84 1iye s ASN 147 Ca 0.08 0.33 -0.17 0.00 -1.57 0.00 0.00 52.86 51.52 1iye s ASN 147 Cb -0.12 -1.98 -0.05 0.00 -0.02 0.00 0.00 41.25 39.08 1iye s ASN 147 CO 0.02 -0.06 1.05 -0.13 -2.57 0.00 0.00 177.10 175.42 1iye s ARG 148 N -3.49 3.50 0.21 -0.60 1.81 -0.52 -4.96 118.95 114.91 1iye s ARG 148 Ca 0.37 1.27 -0.31 0.00 -1.72 0.00 0.00 55.73 55.34 1iye s ARG 148 Cb -0.11 -2.06 -0.15 0.00 -0.45 0.00 0.00 34.95 32.19 1iye s ARG 148 CO 0.30 -0.67 1.11 0.00 -0.68 0.00 0.00 175.30 175.36 1iye n ALA 149 N -1.62 -0.62 -1.69 2.13 0.00 -1.26 -4.02 120.51 113.43 1iye n ALA 149 Ca 0.09 0.44 -0.32 0.00 0.00 0.00 0.00 53.44 53.65 1iye n ALA 149 Cb 0.53 -2.02 0.01 0.00 0.00 0.00 0.00 19.45 17.96 1iye n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iye s ALA 150 N -0.44 2.79 0.49 0.00 0.00 -1.26 -4.80 121.76 118.55 1iye s ALA 150 Ca 0.69 0.29 -0.24 0.00 0.00 0.00 0.00 51.96 52.70 1iye s ALA 150 Cb -0.81 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.04 1iye s ALA 150 CO 0.54 -0.78 1.40 -2.30 0.00 0.00 0.00 175.76 174.62 1iye n PRO 151 N -2.16 2.01 -2.08 0.00 -0.02 -1.26 -2.93 135.00 128.57 1iye n PRO 151 Ca 0.08 0.73 -0.15 0.00 -2.02 0.00 0.00 63.50 62.13 1iye n PRO 151 Cb 0.53 -2.60 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 1iye n PRO 151 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1iye n ASN 152 N -0.51 -4.68 0.00 2.55 5.15 -1.26 -4.87 115.26 111.64 1iye n ASN 152 Ca 0.07 0.08 -0.00 0.00 -0.60 0.00 0.00 54.58 54.13 1iye n ASN 152 Cb 0.43 -3.74 -0.00 0.00 -0.53 0.00 0.00 39.78 35.93 1iye n ASN 152 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1iye n THR 153 N -3.65 0.22 -3.80 -0.44 -2.24 -1.15 -4.97 114.28 98.25 1iye n THR 153 Ca -0.18 0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1iye n THR 153 Cb 0.61 -1.25 -0.16 0.00 -2.10 0.00 0.00 70.33 67.42 1iye n THR 153 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1iye s ILE 154 N -1.21 0.90 -0.52 2.28 1.01 -1.26 -5.08 121.20 117.32 1iye s ILE 154 Ca -0.01 -0.92 -0.36 0.00 0.00 0.00 0.00 60.65 59.36 1iye s ILE 154 Cb 0.00 -1.38 -0.15 0.00 0.01 0.00 0.00 42.46 40.94 1iye s ILE 154 CO 0.02 -0.26 2.29 -0.81 0.00 0.00 0.00 174.94 176.18 1iye n PRO 155 N 4.90 0.59 0.00 2.79 -0.04 -1.26 -4.82 135.00 137.15 1iye n PRO 155 Ca -0.08 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.64 1iye n PRO 155 Cb 0.45 -2.13 0.78 0.00 -0.04 0.00 0.00 33.50 32.57 1iye n PRO 155 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1iye n THR 156 N 7.15 0.04 0.24 0.52 -2.24 -1.26 -2.49 114.28 116.23 1iye n THR 156 Ca 0.49 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 62.41 1iye n THR 156 Cb 0.15 -0.57 0.35 0.00 -2.10 0.00 0.00 70.33 68.16 1iye n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iye h ALA 157 N 3.61 0.99 -2.73 6.98 0.00 -1.88 -3.37 119.26 122.86 1iye h ALA 157 Ca 0.00 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 54.24 1iye h ALA 157 Cb 0.07 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1iye h ALA 157 CO 0.00 0.03 -0.47 0.00 0.00 0.00 0.00 179.25 178.81 1iye s ALA 158 N -3.37 3.91 -0.91 0.00 0.00 -1.04 -4.63 121.76 115.72 1iye s ALA 158 Ca 0.05 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 1iye s ALA 158 Cb 0.07 -1.95 0.20 0.00 0.00 0.00 0.00 23.12 21.44 1iye s ALA 158 CO 0.63 0.68 0.95 0.21 0.00 0.00 0.00 175.76 178.23 1iye s LYS 159 N -1.56 3.71 0.09 0.00 2.20 -1.26 -5.00 119.74 117.92 1iye s LYS 159 Ca 0.23 -2.37 0.08 0.00 -0.36 0.00 0.00 55.97 53.54 1iye s LYS 159 Cb -0.13 -4.61 -0.04 0.00 -1.51 0.00 0.00 37.83 31.54 1iye s LYS 159 CO 0.13 -1.44 -0.18 0.00 -0.36 0.00 0.00 175.35 173.50 1iye s ALA 160 N 0.76 2.66 0.18 3.13 0.00 -1.26 -1.40 121.76 125.83 1iye s ALA 160 Ca 0.25 -1.29 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 1iye s ALA 160 Cb -0.08 -0.69 0.13 0.00 0.00 0.00 0.00 23.12 22.47 1iye s ALA 160 CO -0.08 0.59 1.62 0.78 0.00 0.00 0.00 175.76 178.66 1iye h GLY 161 N 4.04 0.08 1.46 0.00 0.00 -1.10 -1.64 103.07 105.90 1iye h GLY 161 Ca -0.49 0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.20 1iye h GLY 161 CO 0.47 -0.21 0.21 -1.33 0.00 0.00 0.00 176.54 175.68 1iye h GLY 162 N -0.13 0.00 1.23 4.60 0.00 -1.69 -1.45 103.07 105.63 1iye h GLY 162 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.62 1iye h GLY 162 CO -0.56 0.00 0.37 3.43 0.00 0.00 0.00 176.54 179.77 1iye h ASN 163 N 0.00 0.44 0.19 0.19 4.21 -1.61 -3.07 115.58 115.92 1iye h ASN 163 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1iye h ASN 163 Cb 0.52 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 1iye h ASN 163 CO -0.00 0.28 0.00 -1.22 -1.29 0.00 0.00 177.43 175.20 1iye n TYR 164 N -4.47 0.00 -0.25 1.19 4.02 -0.55 -2.60 117.16 114.50 1iye n TYR 164 Ca 0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.92 1iye n TYR 164 Cb 0.25 -0.15 0.10 0.00 -0.02 0.00 0.00 39.34 39.52 1iye n TYR 164 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1iye h LEU 165 N 0.00 1.02 -0.37 7.72 3.38 -1.74 0.36 115.31 125.67 1iye h LEU 165 Ca 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1iye h LEU 165 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1iye h LEU 165 CO 0.00 0.92 0.16 -1.28 0.09 0.00 0.00 178.44 178.33 1iye h SER 166 N 1.06 0.51 0.18 -0.43 0.87 -1.75 -1.94 113.55 112.05 1iye h SER 166 Ca 0.24 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 1iye h SER 166 Cb 0.25 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1iye h SER 166 CO -0.01 0.52 -0.16 0.28 -0.53 0.00 0.00 176.83 176.93 1iye h SER 167 N 0.46 0.00 -0.13 6.23 0.02 -1.55 -0.56 113.55 118.02 1iye h SER 167 Ca 0.13 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1iye h SER 167 Cb 0.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1iye h SER 167 CO -0.01 0.16 -0.06 0.25 -1.14 0.00 0.00 176.83 176.02 1iye h LEU 168 N 0.00 0.29 -0.32 5.07 5.85 -0.37 -0.58 115.31 125.25 1iye h LEU 168 Ca -0.00 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1iye h LEU 168 Cb 0.29 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1iye h LEU 168 CO 0.02 0.63 0.16 -0.07 -0.34 0.00 0.00 178.44 178.84 1iye h LEU 169 N -0.06 0.42 0.14 2.25 3.38 -0.81 0.71 115.31 121.34 1iye h LEU 169 Ca 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1iye h LEU 169 Cb 0.52 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1iye h LEU 169 CO 0.02 0.42 -0.07 0.58 0.09 0.00 0.00 178.44 179.48 1iye h VAL 170 N 0.39 0.94 -0.33 1.22 2.07 -1.13 -2.66 116.25 116.75 1iye h VAL 170 Ca 0.11 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 1iye h VAL 170 Cb 0.11 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1iye h VAL 170 CO -0.01 0.08 -0.33 1.23 0.02 0.00 0.00 177.57 178.56 1iye h GLY 171 N -0.35 0.80 1.84 2.17 0.00 -1.07 -3.06 103.07 103.39 1iye h GLY 171 Ca -0.02 -0.75 -0.13 0.00 0.00 0.00 0.00 47.33 46.43 1iye h GLY 171 CO 0.03 0.68 -0.54 1.48 0.00 0.00 0.00 176.54 178.19 1iye h SER 172 N 0.62 0.19 -0.30 0.19 4.64 -0.90 -2.61 113.55 115.37 1iye h SER 172 Ca 0.07 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1iye h SER 172 Cb 0.85 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1iye h SER 172 CO 0.07 0.70 0.08 -0.08 -0.87 0.00 0.00 176.83 176.73 1iye h GLU 173 N 0.13 0.48 -0.63 4.77 4.81 -1.43 0.18 114.58 122.89 1iye h GLU 173 Ca 0.00 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1iye h GLU 173 Cb 1.00 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1iye h GLU 173 CO 0.08 0.55 0.31 0.00 -0.73 0.00 0.00 179.01 179.22 1iye h ALA 174 N 0.91 0.82 -0.44 2.92 0.00 -1.50 -2.41 119.26 119.56 1iye h ALA 174 Ca 0.10 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1iye h ALA 174 Cb 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1iye h ALA 174 CO 0.00 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.51 1iye h ARG 175 N 0.87 0.79 0.00 0.00 3.08 -1.25 0.77 114.38 118.64 1iye h ARG 175 Ca 0.22 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1iye h ARG 175 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1iye h ARG 175 CO -0.03 0.88 -0.18 0.00 -1.07 0.00 0.00 179.97 179.57 1iye h ARG 176 N 0.72 0.00 -0.38 0.04 3.08 -0.73 -2.58 114.38 114.52 1iye h ARG 176 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1iye h ARG 176 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1iye h ARG 176 CO 0.04 0.18 0.00 0.72 -1.07 0.00 0.00 179.97 179.84 1iye n HIS 177 N -3.46 0.49 -0.51 3.04 8.25 -0.93 -4.94 115.22 117.16 1iye n HIS 177 Ca -0.01 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 1iye n HIS 177 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1iye n HIS 177 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iye n GLY 178 N 1.37 0.71 3.97 -1.41 0.00 -0.97 -5.07 105.19 103.79 1iye n GLY 178 Ca 0.18 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 1iye n GLY 178 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iye s TYR 179 N -2.00 2.65 -0.12 1.61 1.51 0.22 -5.01 117.35 116.22 1iye s TYR 179 Ca 0.00 -0.46 0.20 0.00 -1.01 0.00 0.00 57.07 55.80 1iye s TYR 179 Cb 0.00 -2.30 -0.21 0.00 -0.11 0.00 0.00 41.96 39.34 1iye s TYR 179 CO 0.00 -0.39 0.59 1.04 -1.11 0.00 0.00 175.55 175.67 1iye n GLN 180 N -1.79 0.65 -3.53 -0.62 3.00 -0.41 -3.90 117.38 110.78 1iye n GLN 180 Ca 0.07 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.89 1iye n GLN 180 Cb 0.60 -1.64 -0.05 0.00 0.00 0.00 0.00 30.24 29.14 1iye n GLN 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1iye s GLU 181 N -3.17 1.07 -0.03 -1.09 2.56 -1.24 -4.87 118.70 111.93 1iye s GLU 181 Ca -0.06 0.04 0.01 0.00 0.00 0.00 0.00 54.97 54.95 1iye s GLU 181 Cb 0.10 0.50 -0.03 0.00 2.00 0.00 0.00 34.13 36.70 1iye s GLU 181 CO 0.85 -0.37 -0.01 0.20 -0.56 0.00 0.00 175.26 175.38 1iye s GLY 182 N -1.58 1.85 -0.14 -1.50 0.00 -1.26 -1.89 107.32 102.80 1iye s GLY 182 Ca -0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 1iye s GLY 182 CO 0.04 -0.74 -0.04 -0.42 0.00 0.00 0.00 173.10 171.94 1iye s ILE 183 N -1.00 3.87 0.07 0.90 1.01 0.63 -1.87 121.20 124.81 1iye s ILE 183 Ca 0.17 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.48 1iye s ILE 183 Cb -0.11 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1iye s ILE 183 CO 0.07 0.51 0.01 0.00 0.00 0.00 0.00 174.94 175.53 1iye s ALA 184 N 0.15 3.33 0.11 9.38 0.00 -0.21 -0.49 121.76 134.03 1iye s ALA 184 Ca -0.02 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1iye s ALA 184 Cb -0.14 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1iye s ALA 184 CO 0.03 0.70 0.24 -0.51 0.00 0.00 0.00 175.76 176.21 1iye s LEU 185 N -2.15 4.28 0.00 0.00 1.43 -1.26 -0.90 118.68 120.09 1iye s LEU 185 Ca 0.25 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 1iye s LEU 185 Cb -0.12 -2.87 0.16 0.00 0.03 0.00 0.00 46.19 43.39 1iye s LEU 185 CO 0.17 0.10 0.94 -0.90 0.23 0.00 0.00 176.35 176.89 1iye n ASP 186 N -0.17 0.08 0.00 2.29 5.75 0.24 -1.44 116.55 123.30 1iye n ASP 186 Ca -0.06 -1.35 0.06 0.00 -0.01 0.00 0.00 54.79 53.43 1iye n ASP 186 Cb 0.53 -0.72 0.31 0.00 -1.03 0.00 0.00 41.12 40.21 1iye n ASP 186 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1iye n VAL 187 N -3.29 0.60 0.50 2.12 0.24 -1.26 -1.95 118.33 115.29 1iye n VAL 187 Ca 0.12 0.15 0.11 0.00 -2.04 0.00 0.00 64.34 62.68 1iye n VAL 187 Cb 0.41 -0.95 -0.04 0.00 -1.47 0.00 0.00 33.84 31.79 1iye n VAL 187 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1iye n ASN 188 N -1.25 0.56 0.00 -1.34 3.02 -1.26 -4.97 115.26 110.02 1iye n ASN 188 Ca 0.06 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1iye n ASN 188 Cb 0.09 1.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 1iye n ASN 188 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iye n GLY 189 N 1.36 0.97 3.95 7.41 0.00 -0.82 -5.09 105.19 112.96 1iye n GLY 189 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1iye n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iye s TYR 190 N -2.00 3.30 0.23 1.61 1.51 -1.26 -4.12 117.35 116.61 1iye s TYR 190 Ca 0.00 -0.09 -0.30 0.00 -1.01 0.00 0.00 57.07 55.66 1iye s TYR 190 Cb 0.00 -1.67 -0.10 0.00 -0.11 0.00 0.00 41.96 40.08 1iye s TYR 190 CO 0.00 0.32 1.39 0.42 -1.11 0.00 0.00 175.55 176.57 1iye s ILE 191 N -2.06 2.87 0.00 2.71 1.01 -0.25 -0.59 121.20 124.88 1iye s ILE 191 Ca 0.37 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.74 1iye s ILE 191 Cb -0.09 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1iye s ILE 191 CO 0.29 0.11 0.00 -0.24 0.00 0.00 0.00 174.94 175.10 1iye n SER 192 N 2.45 0.00 -3.68 3.58 2.88 -0.08 -4.66 113.62 114.11 1iye n SER 192 Ca 0.07 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.59 1iye n SER 192 Cb 0.41 -0.15 -0.01 0.00 -0.75 0.00 0.00 64.21 63.71 1iye n SER 192 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1iye s GLU 193 N -0.55 0.92 0.91 -1.46 -1.05 -1.19 -4.58 118.70 111.71 1iye s GLU 193 Ca 0.00 -0.52 -0.14 0.00 -0.15 0.00 0.00 54.97 54.17 1iye s GLU 193 Cb 0.00 0.31 0.14 0.00 -0.44 0.00 0.00 34.13 34.14 1iye s GLU 193 CO 0.00 -0.42 1.19 0.20 0.95 0.00 0.00 175.26 177.18 1iye s GLY 194 N -3.02 1.63 0.51 -3.83 0.00 0.10 -1.04 107.32 101.67 1iye s GLY 194 Ca 0.14 -0.75 0.17 0.00 0.00 0.00 0.00 44.72 44.29 1iye s GLY 194 CO 0.00 -0.14 2.11 0.00 0.00 0.00 0.00 173.10 175.08 1iye h ALA 195 N -1.47 2.07 0.00 3.20 0.00 -1.71 -3.24 119.26 118.11 1iye h ALA 195 Ca -0.47 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1iye h ALA 195 Cb 1.31 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.83 1iye h ALA 195 CO 0.56 -0.11 -0.74 0.41 0.00 0.00 0.00 179.25 179.37 1iye n GLY 196 N -1.55 0.82 3.39 0.00 0.00 -1.26 -4.74 105.19 101.83 1iye n GLY 196 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1iye n GLY 196 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iye s GLU 197 N 0.00 1.18 0.29 1.61 8.01 -1.22 -4.81 118.70 123.76 1iye s GLU 197 Ca 0.20 -0.92 0.01 0.00 0.01 0.00 0.00 54.97 54.27 1iye s GLU 197 Cb 0.23 0.45 -0.03 0.00 -4.31 0.00 0.00 34.13 30.46 1iye s GLU 197 CO -0.10 -0.46 0.47 -0.80 0.01 0.00 0.00 175.26 174.37 1iye s ASN 198 N -2.88 6.33 -0.15 -0.19 -0.87 0.59 0.02 114.94 117.78 1iye s ASN 198 Ca 0.09 0.35 -0.03 0.00 -1.57 0.00 0.00 52.86 51.71 1iye s ASN 198 Cb 0.02 -1.99 -0.02 0.00 -0.02 0.00 0.00 41.25 39.23 1iye s ASN 198 CO -0.05 -0.18 -0.06 -0.22 -2.57 0.00 0.00 177.10 174.02 1iye s LEU 199 N -3.99 3.09 0.07 0.60 1.98 -1.26 -1.43 118.68 117.73 1iye s LEU 199 Ca 0.38 -0.20 0.09 0.00 -2.89 0.00 0.00 54.13 51.51 1iye s LEU 199 Cb -0.10 -1.74 -0.03 0.00 0.66 0.00 0.00 46.19 44.99 1iye s LEU 199 CO 0.33 0.16 -0.23 -0.36 -1.89 0.00 0.00 176.35 174.35 1iye s PHE 200 N 0.42 2.02 0.09 5.38 0.40 0.04 -4.18 117.98 122.15 1iye s PHE 200 Ca -0.05 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 1iye s PHE 200 Cb -0.15 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.18 1iye s PHE 200 CO 0.03 0.15 -0.15 -1.21 0.70 0.00 0.00 175.22 174.75 1iye s GLU 201 N -1.43 0.91 -0.11 0.44 2.02 0.33 -1.57 118.70 119.29 1iye s GLU 201 Ca 0.09 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 54.05 1iye s GLU 201 Cb -0.09 -0.94 0.01 0.00 0.10 0.00 0.00 34.13 33.21 1iye s GLU 201 CO 0.03 0.20 -0.16 0.08 0.02 0.00 0.00 175.26 175.43 1iye s VAL 202 N -1.45 1.57 -0.04 2.63 1.01 0.17 0.19 120.40 124.49 1iye s VAL 202 Ca 0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1iye s VAL 202 Cb -0.09 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1iye s VAL 202 CO 0.03 0.45 0.07 -0.75 0.00 0.00 0.00 175.10 174.90 1iye s LYS 203 N 0.94 -0.06 -1.48 2.72 2.47 -0.31 -0.22 119.74 123.79 1iye s LYS 203 Ca -0.07 0.38 -0.09 0.00 -1.56 0.00 0.00 55.97 54.63 1iye s LYS 203 Cb -0.15 -0.46 0.06 0.00 -1.46 0.00 0.00 37.83 35.82 1iye s LYS 203 CO -0.01 -0.31 0.81 -0.25 0.16 0.00 0.00 175.35 175.75 1iye n ASP 204 N 5.20 -3.08 0.00 1.43 8.00 -1.26 -1.55 116.55 125.28 1iye n ASP 204 Ca -0.06 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1iye n ASP 204 Cb 0.50 -3.67 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 1iye n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iye n GLY 205 N -1.67 1.58 3.79 0.44 0.00 -1.26 -5.02 105.19 103.05 1iye n GLY 205 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1iye n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iye s VAL 206 N -3.42 4.98 -0.12 1.61 1.01 -0.60 -4.41 120.40 119.46 1iye s VAL 206 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 1iye s VAL 206 Cb 0.00 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1iye s VAL 206 CO 0.00 0.61 0.36 -0.22 0.00 0.00 0.00 175.10 175.85 1iye s LEU 207 N -0.93 4.30 0.10 3.92 2.96 -0.01 -1.16 118.68 127.85 1iye s LEU 207 Ca 0.14 0.68 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 1iye s LEU 207 Cb -0.12 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 1iye s LEU 207 CO 0.03 0.12 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.61 1iye s PHE 208 N 0.18 1.84 -0.21 5.38 0.40 0.13 -0.24 117.98 125.46 1iye s PHE 208 Ca 0.20 -0.41 -0.27 0.00 -0.60 0.00 0.00 56.93 55.86 1iye s PHE 208 Cb -0.14 -1.02 0.08 0.00 0.51 0.00 0.00 43.02 42.45 1iye s PHE 208 CO 0.07 0.20 0.77 -0.08 0.70 0.00 0.00 175.22 176.88 1iye s THR 209 N -1.10 0.00 0.65 0.64 -1.32 -1.00 -0.52 115.64 113.00 1iye s THR 209 Ca 0.07 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.39 1iye s THR 209 Cb -0.10 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1iye s THR 209 CO 0.04 0.00 1.17 -2.84 -2.21 0.00 0.00 174.62 170.78 1iye s PRO 210 N -0.11 2.71 0.80 7.08 0.02 -1.24 -1.63 135.00 142.63 1iye s PRO 210 Ca -0.02 1.64 -0.11 0.00 0.02 0.00 0.00 61.00 62.52 1iye s PRO 210 Cb -0.04 -1.92 0.08 0.00 0.02 0.00 0.00 34.50 32.65 1iye s PRO 210 CO 0.02 -1.37 1.16 -1.25 -0.33 0.00 0.00 177.00 175.24 1iye s PRO 211 N -3.74 1.95 0.48 5.54 0.04 -1.26 -4.75 135.00 133.26 1iye s PRO 211 Ca 0.73 0.04 0.15 0.00 0.04 0.00 0.00 61.00 61.95 1iye s PRO 211 Cb -0.26 -1.98 1.13 0.00 0.04 0.00 0.00 34.50 33.43 1iye s PRO 211 CO 0.39 -1.58 2.07 0.74 0.04 0.00 0.00 177.00 178.66 1iye h PHE 212 N -1.01 0.00 0.00 0.56 0.04 -1.94 -1.30 116.94 113.29 1iye h PHE 212 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1iye h PHE 212 Cb 1.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.47 1iye h PHE 212 CO 0.26 0.10 0.00 0.25 -0.60 0.00 0.00 178.31 178.32 1iye n THR 213 N -4.42 0.03 -1.20 -1.55 -2.24 -1.26 -1.42 114.28 102.21 1iye n THR 213 Ca -0.03 0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.58 1iye n THR 213 Cb 0.17 -0.81 0.21 0.00 -2.10 0.00 0.00 70.33 67.80 1iye n THR 213 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1iye n SER 214 N -1.01 3.92 -2.56 3.42 7.64 -0.49 -4.88 113.62 119.65 1iye n SER 214 Ca 0.09 -3.53 -0.20 0.00 1.01 0.00 0.00 58.87 56.24 1iye n SER 214 Cb 0.05 -0.80 0.01 0.00 -1.01 0.00 0.00 64.21 62.46 1iye n SER 214 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1iye n SER 215 N -0.92 -5.75 -4.72 6.43 7.64 -0.51 -4.34 113.62 111.45 1iye n SER 215 Ca 0.54 -0.16 -0.34 0.00 1.01 0.00 0.00 58.87 59.92 1iye n SER 215 Cb 1.57 -4.67 -0.08 0.00 -1.01 0.00 0.00 64.21 60.01 1iye n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iye s ALA 216 N -3.07 3.41 0.35 -0.43 0.00 -1.07 -4.77 121.76 116.18 1iye s ALA 216 Ca 0.16 -0.86 -0.27 0.00 0.00 0.00 0.00 51.96 50.98 1iye s ALA 216 Cb -0.07 -1.49 -0.09 0.00 0.00 0.00 0.00 23.12 21.47 1iye s ALA 216 CO 0.20 0.64 1.22 -1.17 0.00 0.00 0.00 175.76 176.65 1iye s LEU 217 N -1.37 4.36 -1.03 0.00 2.96 -1.26 -4.55 118.68 117.78 1iye s LEU 217 Ca 0.18 2.50 -0.19 0.00 -0.22 0.00 0.00 54.13 56.40 1iye s LEU 217 Cb -0.12 -3.79 -0.08 0.00 0.50 0.00 0.00 46.19 42.70 1iye s LEU 217 CO 0.08 -0.54 2.02 -2.65 -1.32 0.00 0.00 176.35 173.95 1iye n PRO 218 N 0.58 2.00 -1.63 0.98 -0.02 -1.26 -4.93 135.00 130.72 1iye n PRO 218 Ca 0.01 -2.17 -0.44 0.00 -2.02 0.00 0.00 63.50 58.89 1iye n PRO 218 Cb 0.44 -3.10 -0.01 0.00 -0.02 0.00 0.00 33.50 30.81 1iye n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iye n GLY 219 N 4.48 0.02 0.11 -1.23 0.00 -1.26 -4.91 105.19 102.40 1iye n GLY 219 Ca 0.50 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.83 1iye n GLY 219 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iye h ILE 220 N 2.16 1.05 0.00 -0.61 2.04 -1.98 -1.57 117.51 118.61 1iye h ILE 220 Ca -0.42 -2.53 -0.23 0.00 1.00 0.00 0.00 64.86 62.68 1iye h ILE 220 Cb 1.32 2.49 0.02 0.00 -0.74 0.00 0.00 36.82 39.91 1iye h ILE 220 CO 0.61 0.60 -0.91 0.74 0.00 0.00 0.00 178.15 179.19 1iye h THR 221 N 0.00 1.32 -0.25 -0.27 2.02 -1.91 -2.25 112.91 111.58 1iye h THR 221 Ca -0.03 -2.20 0.05 0.00 0.77 0.00 0.00 66.41 65.00 1iye h THR 221 Cb 1.53 2.45 -0.05 0.00 -1.74 0.00 0.00 68.15 70.35 1iye h THR 221 CO 0.08 0.67 -0.05 -0.09 0.37 0.00 0.00 175.52 176.49 1iye h ARG 222 N 0.24 0.01 -0.61 6.66 2.43 -1.87 0.58 114.38 121.82 1iye h ARG 222 Ca -0.11 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1iye h ARG 222 Cb 1.58 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.10 1iye h ARG 222 CO 0.18 0.01 0.30 0.22 -1.51 0.00 0.00 179.97 179.17 1iye h ASP 223 N 0.01 0.79 -0.84 -3.80 3.58 -1.30 -1.70 116.42 113.14 1iye h ASP 223 Ca 0.12 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1iye h ASP 223 Cb 0.18 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 1iye h ASP 223 CO -0.25 0.69 0.52 0.00 -2.88 0.00 0.00 179.24 177.32 1iye h ALA 224 N 1.13 1.07 -0.56 -0.78 0.00 -0.87 -2.12 119.26 117.13 1iye h ALA 224 Ca 0.21 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1iye h ALA 224 Cb 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1iye h ALA 224 CO -0.03 0.53 0.00 0.82 0.00 0.00 0.00 179.25 180.57 1iye h ILE 225 N 1.16 1.26 -0.64 0.00 2.04 -0.53 0.10 117.51 120.91 1iye h ILE 225 Ca 0.30 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1iye h ILE 225 Cb -0.06 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1iye h ILE 225 CO -0.06 0.39 0.33 0.40 0.00 0.00 0.00 178.15 179.21 1iye h ILE 226 N 0.88 1.21 -0.36 -0.67 2.04 -0.95 0.97 117.51 120.64 1iye h ILE 226 Ca 0.16 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 1iye h ILE 226 Cb 0.51 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1iye h ILE 226 CO 0.03 0.24 -0.13 0.11 0.00 0.00 0.00 178.15 178.39 1iye h LYS 227 N 0.87 0.73 -0.72 2.37 1.57 -1.00 -1.91 116.57 118.48 1iye h LYS 227 Ca 0.22 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1iye h LYS 227 Cb 0.08 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1iye h LYS 227 CO -0.03 0.90 0.23 -0.07 -0.57 0.00 0.00 179.45 179.91 1iye h LEU 228 N 0.52 1.04 -0.15 2.94 3.38 -0.61 -2.03 115.31 120.40 1iye h LEU 228 Ca 0.09 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1iye h LEU 228 Cb 0.66 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1iye h LEU 228 CO 0.04 0.96 0.08 0.00 0.09 0.00 0.00 178.44 179.62 1iye h ALA 229 N 1.17 0.18 -0.68 1.53 0.00 -0.62 -1.32 119.26 119.52 1iye h ALA 229 Ca 0.23 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1iye h ALA 229 Cb 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1iye h ALA 229 CO -0.01 -0.35 0.30 0.87 0.00 0.00 0.00 179.25 180.06 1iye h LYS 230 N 0.17 0.98 -0.58 0.00 1.57 -1.19 0.14 116.57 117.65 1iye h LYS 230 Ca 0.06 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1iye h LYS 230 Cb -0.00 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1iye h LYS 230 CO -0.03 0.77 0.31 0.93 -0.57 0.00 0.00 179.45 180.87 1iye h GLU 231 N 0.97 0.80 -0.00 3.15 4.39 -0.81 -0.68 114.58 122.39 1iye h GLU 231 Ca 0.23 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1iye h GLU 231 Cb 0.14 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1iye h GLU 231 CO -0.03 0.60 0.00 1.28 -1.16 0.00 0.00 179.01 179.70 1iye n LEU 232 N -4.39 0.07 -0.01 1.33 4.77 -0.55 -4.88 117.00 113.35 1iye n LEU 232 Ca 0.05 -0.02 -0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1iye n LEU 232 Cb 0.10 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1iye n LEU 232 CO 0.37 0.01 -0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1iye n GLY 233 N 0.97 0.43 3.70 -0.72 0.00 -0.26 -5.02 105.19 104.28 1iye n GLY 233 Ca 0.22 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1iye n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iye s ILE 234 N -2.00 5.13 0.34 -0.61 1.01 -0.07 -4.99 121.20 120.01 1iye s ILE 234 Ca 0.00 1.04 -0.28 0.00 0.00 0.00 0.00 60.65 61.42 1iye s ILE 234 Cb 0.00 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.51 1iye s ILE 234 CO 0.00 0.26 1.15 -0.70 0.00 0.00 0.00 174.94 175.65 1iye s GLU 235 N 1.02 4.37 -0.04 2.79 2.12 -1.26 -3.80 118.70 123.90 1iye s GLU 235 Ca 0.27 1.87 0.05 0.00 0.36 0.00 0.00 54.97 57.52 1iye s GLU 235 Cb -0.16 -2.96 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 1iye s GLU 235 CO 0.11 -0.05 -0.20 0.08 -0.54 0.00 0.00 175.26 174.66 1iye s VAL 236 N -1.28 1.61 -0.18 3.70 1.01 -1.26 -0.83 120.40 123.18 1iye s VAL 236 Ca 0.50 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1iye s VAL 236 Cb -0.32 -1.37 0.05 0.00 0.00 0.00 0.00 36.38 34.73 1iye s VAL 236 CO 0.41 0.46 -0.03 -0.13 0.00 0.00 0.00 175.10 175.81 1iye s ARG 237 N -0.11 1.28 -0.46 2.72 0.52 0.67 -4.96 118.95 118.61 1iye s ARG 237 Ca -0.02 -0.56 -0.21 0.00 -0.52 0.00 0.00 55.73 54.42 1iye s ARG 237 Cb -0.11 -2.10 0.03 0.00 0.52 0.00 0.00 34.95 33.29 1iye s ARG 237 CO 0.02 -0.50 0.67 -1.21 0.02 0.00 0.00 175.30 174.30 1iye s GLU 238 N 1.65 3.26 0.17 3.54 2.02 -1.26 -2.38 118.70 125.69 1iye s GLU 238 Ca -0.01 -0.45 -0.21 0.00 0.02 0.00 0.00 54.97 54.33 1iye s GLU 238 Cb -0.16 -3.98 0.06 0.00 0.10 0.00 0.00 34.13 30.14 1iye s GLU 238 CO -0.07 -1.09 0.57 1.14 0.02 0.00 0.00 175.26 175.83 1iye s GLN 239 N 2.89 1.30 0.48 1.61 -2.07 -0.64 -4.78 119.66 118.44 1iye s GLN 239 Ca 0.22 -0.59 -0.24 0.00 -1.82 0.00 0.00 55.36 52.93 1iye s GLN 239 Cb -0.15 0.56 -0.07 0.00 -1.09 0.00 0.00 33.01 32.27 1iye s GLN 239 CO 0.18 -0.56 1.33 0.08 -1.32 0.00 0.00 175.29 175.00 1iye s VAL 240 N -3.79 2.38 -0.02 3.63 1.01 -1.26 -3.68 120.40 118.68 1iye s VAL 240 Ca 0.03 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1iye s VAL 240 Cb -0.01 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1iye s VAL 240 CO -0.10 0.02 -0.12 -0.76 0.00 0.00 0.00 175.10 174.14 1iye s LEU 241 N -2.99 1.92 0.67 3.92 1.43 -1.26 -5.00 118.68 117.37 1iye s LEU 241 Ca 0.64 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 1iye s LEU 241 Cb -0.39 -0.67 -0.00 0.00 0.03 0.00 0.00 46.19 45.16 1iye s LEU 241 CO 0.48 0.12 1.07 -0.94 0.23 0.00 0.00 176.35 177.31 1iye s SER 242 N -0.07 5.39 0.14 2.29 1.04 -1.26 -1.09 113.70 120.13 1iye s SER 242 Ca 0.01 1.75 -0.17 0.00 0.48 0.00 0.00 55.95 58.01 1iye s SER 242 Cb -0.07 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 1iye s SER 242 CO 0.00 -1.44 1.79 -0.09 0.98 0.00 0.00 173.24 174.49 1iye h ARG 243 N -0.30 0.43 0.00 4.02 1.12 -1.92 -2.52 114.38 115.22 1iye h ARG 243 Ca -0.45 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.39 1iye h ARG 243 Cb 1.22 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 31.08 1iye h ARG 243 CO 0.56 0.29 0.00 1.05 -3.11 0.00 0.00 179.97 178.77 1iye h GLU 244 N 0.44 0.00 -0.05 0.20 9.09 -1.93 -2.60 114.58 119.72 1iye h GLU 244 Ca 0.12 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.55 1iye h GLU 244 Cb -0.04 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.06 1iye h GLU 244 CO -0.03 0.00 0.12 0.66 0.05 0.00 0.00 179.01 179.82 1iye h SER 245 N 0.00 0.00 0.33 3.06 4.64 -1.82 0.36 113.55 120.12 1iye h SER 245 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1iye h SER 245 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1iye h SER 245 CO 0.00 0.00 -0.27 -0.07 -0.87 0.00 0.00 176.83 175.62 1iye h LEU 246 N 0.00 0.00 0.00 5.97 3.38 -1.63 -1.15 115.31 121.88 1iye h LEU 246 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1iye h LEU 246 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1iye h LEU 246 CO -0.00 0.27 -0.65 1.88 0.09 0.00 0.00 178.44 180.03 1iye h TYR 247 N 0.00 0.00 0.00 1.13 0.99 -1.15 -3.35 116.97 114.59 1iye h TYR 247 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1iye h TYR 247 Cb 0.51 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.24 1iye h TYR 247 CO 0.00 0.00 -1.03 1.28 -0.00 0.00 0.00 178.16 178.41 1iye n LEU 248 N -2.71 0.76 -4.76 3.88 4.77 -1.02 -4.95 117.00 112.97 1iye n LEU 248 Ca 0.02 -0.43 -0.37 0.00 -0.03 0.00 0.00 56.01 55.20 1iye n LEU 248 Cb 0.53 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 1iye n LEU 248 CO 0.38 0.19 0.87 0.00 -1.33 0.00 0.00 177.39 177.50 1iye s ALA 249 N -2.86 2.77 0.16 -1.18 0.00 -0.47 -4.92 121.76 115.26 1iye s ALA 249 Ca 0.05 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 1iye s ALA 249 Cb 0.14 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1iye s ALA 249 CO 0.78 -1.03 1.42 -0.44 0.00 0.00 0.00 175.76 176.48 1iye h ASP 250 N 1.44 0.63 -5.10 0.00 3.32 -0.96 -3.39 116.42 112.36 1iye h ASP 250 Ca -0.50 -0.39 -0.14 0.00 0.02 0.00 0.00 57.03 56.01 1iye h ASP 250 Cb 1.28 -0.19 -0.18 0.00 0.22 0.00 0.00 39.33 40.46 1iye h ASP 250 CO 0.57 1.14 -0.64 -1.61 -1.72 0.00 0.00 179.24 176.98 1iye s GLU 251 N -3.75 0.49 -0.07 3.56 2.02 -0.77 -3.76 118.70 116.42 1iye s GLU 251 Ca -0.07 -0.86 -0.05 0.00 0.02 0.00 0.00 54.97 54.01 1iye s GLU 251 Cb 0.10 0.18 0.03 0.00 0.10 0.00 0.00 34.13 34.54 1iye s GLU 251 CO 0.86 -0.10 0.17 0.08 0.02 0.00 0.00 175.26 176.29 1iye s VAL 252 N -2.62 -0.02 0.10 2.63 1.01 -1.26 -0.65 120.40 119.59 1iye s VAL 252 Ca -0.05 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 1iye s VAL 252 Cb -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1iye s VAL 252 CO -0.05 0.03 0.37 0.72 0.00 0.00 0.00 175.10 176.17 1iye s PHE 253 N 0.55 -0.16 0.10 5.22 -0.71 -0.61 -0.17 117.98 122.20 1iye s PHE 253 Ca -0.04 -0.11 0.06 0.00 -1.04 0.00 0.00 56.93 55.80 1iye s PHE 253 Cb -0.05 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 1iye s PHE 253 CO -0.03 -0.65 -0.06 -1.64 -1.34 0.00 0.00 175.22 171.50 1iye s MET 254 N -3.51 2.28 0.07 1.99 -1.94 -0.08 -0.78 119.30 117.32 1iye s MET 254 Ca 0.01 -0.96 0.06 0.00 -1.71 0.00 0.00 55.69 53.09 1iye s MET 254 Cb 0.02 -2.39 -0.03 0.00 2.01 0.00 0.00 34.83 34.44 1iye s MET 254 CO -0.10 0.52 -0.16 -1.54 -0.01 0.00 0.00 175.02 173.73 1iye s SER 255 N -2.25 1.88 0.00 3.03 1.04 -0.51 -1.33 113.70 115.56 1iye s SER 255 Ca 0.23 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1iye s SER 255 Cb -0.11 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1iye s SER 255 CO 0.15 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1iye n GLY 256 N 1.35 1.06 0.15 7.32 0.00 -0.50 -0.30 105.19 114.27 1iye n GLY 256 Ca -0.20 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 1iye n GLY 256 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1iye h THR 257 N 0.28 0.85 -0.25 2.61 2.02 -1.88 0.94 112.91 117.49 1iye h THR 257 Ca 0.00 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 1iye h THR 257 Cb 0.00 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1iye h THR 257 CO 0.00 0.08 -0.22 0.00 0.37 0.00 0.00 175.52 175.75 1iye h ALA 258 N 0.26 0.36 -0.00 6.16 0.00 -1.92 -3.21 119.26 120.91 1iye h ALA 258 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1iye h ALA 258 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1iye h ALA 258 CO 0.05 0.32 -0.19 0.00 0.00 0.00 0.00 179.25 179.43 1iye n ALA 259 N -2.46 2.89 -0.47 0.00 0.00 -1.22 -3.10 120.51 116.13 1iye n ALA 259 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1iye n ALA 259 Cb 0.42 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1iye n ALA 259 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iye n GLU 260 N -1.10 0.00 -3.91 0.00 1.02 0.33 -3.43 120.64 113.54 1iye n GLU 260 Ca 0.11 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.95 1iye n GLU 260 Cb 0.31 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.58 1iye n GLU 260 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1iye s ILE 261 N 0.00 1.69 -0.23 -3.67 1.01 -1.26 -1.42 121.20 117.32 1iye s ILE 261 Ca 0.00 -1.88 -0.05 0.00 0.00 0.00 0.00 60.65 58.72 1iye s ILE 261 Cb 0.00 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 1iye s ILE 261 CO 0.00 -0.57 -0.00 -0.89 0.00 0.00 0.00 174.94 173.48 1iye s THR 262 N 1.21 3.67 0.57 2.92 2.01 -0.44 -4.74 115.64 120.85 1iye s THR 262 Ca 0.08 -0.43 -0.19 0.00 0.31 0.00 0.00 61.69 61.46 1iye s THR 262 Cb -0.18 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1iye s THR 262 CO -0.14 0.37 1.18 -2.84 -0.69 0.00 0.00 174.62 172.50 1iye s PRO 263 N 1.52 3.11 -0.30 4.92 0.02 -1.26 -0.91 135.00 142.10 1iye s PRO 263 Ca 0.06 1.76 -0.02 0.00 0.02 0.00 0.00 61.00 62.82 1iye s PRO 263 Cb -0.15 -1.97 0.05 0.00 0.02 0.00 0.00 34.50 32.45 1iye s PRO 263 CO -0.01 -1.08 -0.00 0.08 -0.33 0.00 0.00 177.00 175.66 1iye s VAL 264 N -1.64 2.98 -0.91 3.83 1.01 0.76 -0.62 120.40 125.81 1iye s VAL 264 Ca 0.76 -1.37 0.26 0.00 0.00 0.00 0.00 61.98 61.63 1iye s VAL 264 Cb -0.28 -2.71 0.11 0.00 0.00 0.00 0.00 36.38 33.50 1iye s VAL 264 CO 0.31 -0.09 1.58 -2.11 0.00 0.00 0.00 175.10 174.79 1iye n ARG 265 N 4.62 0.08 -3.58 2.72 1.85 -0.24 -4.29 116.66 117.83 1iye n ARG 265 Ca -0.13 0.04 -0.14 0.00 -1.00 0.00 0.00 57.85 56.62 1iye n ARG 265 Cb 0.43 -1.56 -0.06 0.00 -1.05 0.00 0.00 32.46 30.22 1iye n ARG 265 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1iye s SER 266 N -3.38 -0.56 -0.10 2.89 1.04 -1.23 -0.95 113.70 111.42 1iye s SER 266 Ca 0.11 0.79 0.01 0.00 0.48 0.00 0.00 55.95 57.34 1iye s SER 266 Cb 0.17 0.70 0.02 0.00 0.10 0.00 0.00 66.02 67.00 1iye s SER 266 CO 0.65 -0.39 -0.12 -0.69 0.98 0.00 0.00 173.24 173.66 1iye s VAL 267 N -0.65 1.25 -1.37 5.02 1.01 -0.38 -0.37 120.40 124.90 1iye s VAL 267 Ca -0.04 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1iye s VAL 267 Cb -0.02 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1iye s VAL 267 CO 0.03 0.39 0.36 0.47 0.00 0.00 0.00 175.10 176.36 1iye n ASP 268 N 4.40 -4.77 0.00 3.32 8.00 0.23 -0.67 116.55 127.06 1iye n ASP 268 Ca -0.18 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.14 1iye n ASP 268 Cb 0.51 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 1iye n ASP 268 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iye n GLY 269 N -1.18 1.76 3.63 0.44 0.00 -1.26 -5.00 105.19 103.58 1iye n GLY 269 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1iye n GLY 269 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iye s ILE 270 N -3.27 5.10 0.28 -0.61 1.01 0.16 -5.03 121.20 118.83 1iye s ILE 270 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.21 1iye s ILE 270 Cb 0.00 -3.81 -0.11 0.00 0.01 0.00 0.00 42.46 38.55 1iye s ILE 270 CO 0.00 0.13 1.48 -1.58 0.00 0.00 0.00 174.94 174.97 1iye s GLN 271 N 2.02 4.22 -0.25 2.79 0.74 -1.26 -1.25 119.66 126.66 1iye s GLN 271 Ca 0.21 2.40 -0.14 0.00 0.05 0.00 0.00 55.36 57.88 1iye s GLN 271 Cb -0.15 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.85 1iye s GLN 271 CO 0.09 -0.48 0.34 0.08 -0.55 0.00 0.00 175.29 174.78 1iye s VAL 272 N -0.19 5.21 0.00 1.34 1.01 -0.12 -4.91 120.40 122.74 1iye s VAL 272 Ca 0.59 0.53 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1iye s VAL 272 Cb -0.44 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1iye s VAL 272 CO 0.47 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1iye n GLY 273 N 4.51 3.25 0.26 4.51 0.00 -1.25 -0.95 105.19 115.52 1iye n GLY 273 Ca -0.10 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1iye n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iye n GLU 274 N 14.00 1.35 -0.95 1.61 4.71 -1.26 -4.90 120.64 135.19 1iye n GLU 274 Ca 0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 57.16 56.64 1iye n GLU 274 Cb 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 1iye n GLU 274 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iye n GLY 275 N 0.99 0.46 2.91 0.62 0.00 -0.13 -5.02 105.19 105.03 1iye n GLY 275 Ca 0.17 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 1iye n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iye n ARG 276 N -2.95 0.39 -1.72 1.61 5.12 -1.26 -4.83 116.66 113.02 1iye n ARG 276 Ca 0.00 -3.02 -0.42 0.00 -1.93 0.00 0.00 57.85 52.47 1iye n ARG 276 Cb 0.00 2.39 -0.03 0.00 -1.16 0.00 0.00 32.46 33.67 1iye n ARG 276 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iye s GLY 278 N 0.91 1.62 0.25 0.00 0.00 -1.26 -4.91 107.32 103.93 1iye s GLY 278 Ca 0.72 -0.45 -0.06 0.00 0.00 0.00 0.00 44.72 44.93 1iye s GLY 278 CO 0.38 -0.09 1.93 -0.56 0.00 0.00 0.00 173.10 174.76 1iye h PRO 279 N -0.57 1.32 -0.14 2.90 0.13 -1.96 -1.28 132.00 132.40 1iye h PRO 279 Ca -0.45 -0.08 -0.22 0.00 -0.87 0.00 0.00 66.00 64.38 1iye h PRO 279 Cb 1.26 -0.30 0.01 0.00 0.13 0.00 0.00 31.00 32.10 1iye h PRO 279 CO 0.63 0.88 -0.79 0.28 -0.23 0.00 0.00 178.00 178.77 1iye h VAL 280 N 1.36 1.29 -0.13 1.56 2.07 -1.99 -1.80 116.25 118.60 1iye h VAL 280 Ca 0.37 -2.01 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 1iye h VAL 280 Cb -0.15 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1iye h VAL 280 CO -0.08 0.63 -0.13 0.74 0.02 0.00 0.00 177.57 178.76 1iye h THR 281 N 0.49 1.17 -0.19 2.57 2.02 -1.93 -1.57 112.91 115.47 1iye h THR 281 Ca -0.05 -0.74 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1iye h THR 281 Cb 1.41 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1iye h THR 281 CO 0.16 0.23 -0.02 0.50 0.37 0.00 0.00 175.52 176.75 1iye h LYS 282 N 0.19 0.36 -0.37 6.66 3.11 -0.97 -0.62 116.57 124.92 1iye h LYS 282 Ca 0.04 -0.13 -0.02 0.00 -2.81 0.00 0.00 60.65 57.74 1iye h LYS 282 Cb 0.35 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.54 1iye h LYS 282 CO 0.02 0.59 0.15 0.00 -2.81 0.00 0.00 179.45 177.40 1iye h ARG 283 N 0.09 0.54 -0.44 1.90 3.08 -0.90 -1.59 114.38 117.07 1iye h ARG 283 Ca 0.05 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1iye h ARG 283 Cb 0.44 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1iye h ARG 283 CO 0.01 0.52 0.15 0.82 -1.07 0.00 0.00 179.97 180.40 1iye h ILE 284 N 0.45 1.22 -0.79 2.04 2.04 -1.29 -0.69 117.51 120.48 1iye h ILE 284 Ca 0.12 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1iye h ILE 284 Cb 0.17 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1iye h ILE 284 CO -0.01 0.26 0.39 -0.61 0.00 0.00 0.00 178.15 178.18 1iye h GLN 285 N 0.57 1.14 -0.45 2.37 4.15 -1.00 0.68 115.11 122.57 1iye h GLN 285 Ca 0.14 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 59.27 1iye h GLN 285 Cb 0.25 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1iye h GLN 285 CO -0.01 0.87 -0.24 1.96 -1.93 0.00 0.00 178.83 179.48 1iye h GLN 286 N 1.12 0.93 -0.58 1.69 4.20 -1.10 -1.29 115.11 120.09 1iye h GLN 286 Ca 0.27 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1iye h GLN 286 Cb 0.10 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1iye h GLN 286 CO -0.04 1.07 0.18 0.00 -0.67 0.00 0.00 178.83 179.37 1iye h ALA 287 N 0.91 0.76 0.89 3.87 0.00 -0.74 0.11 119.26 125.06 1iye h ALA 287 Ca 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1iye h ALA 287 Cb 0.81 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1iye h ALA 287 CO 0.07 0.43 -0.45 0.35 0.00 0.00 0.00 179.25 179.65 1iye h PHE 288 N 0.82 -1.16 0.00 0.00 3.57 -0.63 -2.66 116.94 116.88 1iye h PHE 288 Ca 0.19 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1iye h PHE 288 Cb 0.29 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1iye h PHE 288 CO 0.02 -0.71 0.00 1.19 -2.23 0.00 0.00 178.31 176.58 1iye n PHE 289 N -5.33 0.75 0.38 0.41 3.72 -0.51 -1.75 117.46 115.13 1iye n PHE 289 Ca -0.15 0.32 0.13 0.00 -0.05 0.00 0.00 57.45 57.70 1iye n PHE 289 Cb 0.48 -1.01 0.53 0.00 -0.94 0.00 0.00 39.48 38.54 1iye n PHE 289 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1iye h GLY 290 N 1.69 0.00 1.54 1.37 0.00 -0.41 -2.72 103.07 104.54 1iye h GLY 290 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1iye h GLY 290 CO 0.00 0.00 -0.23 1.41 0.00 0.00 0.00 176.54 177.72 1iye h LEU 291 N 0.00 0.54 -1.27 3.11 3.38 -1.33 0.13 115.31 119.86 1iye h LEU 291 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1iye h LEU 291 Cb 0.39 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1iye h LEU 291 CO 0.00 0.77 0.00 0.49 0.09 0.00 0.00 178.44 179.79 1iye n PHE 292 N -4.13 0.48 0.00 1.13 3.01 -1.03 -3.42 117.46 113.51 1iye n PHE 292 Ca -0.00 -0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.24 1iye n PHE 292 Cb 0.40 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1iye n PHE 292 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1iye n THR 293 N 0.38 0.00 0.00 4.37 -2.24 -1.12 -1.99 114.28 113.68 1iye n THR 293 Ca 0.11 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1iye n THR 293 Cb 0.32 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1iye n THR 293 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iye n GLY 294 N 0.87 3.41 0.36 3.38 0.00 -0.87 -4.71 105.19 107.63 1iye n GLY 294 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1iye n GLY 294 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iye h GLU 295 N 2.56 0.64 -4.75 1.61 5.08 -1.69 -3.32 114.58 114.71 1iye h GLU 295 Ca 0.00 -0.04 -0.68 0.00 -1.00 0.00 0.00 59.36 57.64 1iye h GLU 295 Cb 0.00 -0.14 -0.23 0.00 0.50 0.00 0.00 28.75 28.88 1iye h GLU 295 CO 0.00 0.42 -0.55 0.99 -1.00 0.00 0.00 179.01 178.87 1iye s THR 296 N -5.76 4.59 0.03 1.13 2.01 0.37 -4.97 115.64 113.05 1iye s THR 296 Ca -0.11 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 1iye s THR 296 Cb 0.25 -3.37 -0.07 0.00 0.01 0.00 0.00 72.50 69.31 1iye s THR 296 CO 0.80 0.02 1.65 -0.70 -0.69 0.00 0.00 174.62 175.70 1iye s GLU 297 N 1.60 4.20 -1.16 4.92 2.12 -1.25 -4.21 118.70 124.92 1iye s GLU 297 Ca 0.04 2.29 -0.21 0.00 0.36 0.00 0.00 54.97 57.45 1iye s GLU 297 Cb -0.17 -3.72 -0.06 0.00 0.26 0.00 0.00 34.13 30.44 1iye s GLU 297 CO 0.06 -0.76 1.90 -3.47 -0.54 0.00 0.00 175.26 172.46 1iye n ASP 298 N 6.03 3.41 0.16 -1.70 -0.08 -1.26 -4.72 116.55 118.40 1iye n ASP 298 Ca 0.16 -2.75 0.13 0.00 -1.51 0.00 0.00 54.79 50.83 1iye n ASP 298 Cb 0.41 -1.64 0.54 0.00 2.34 0.00 0.00 41.12 42.77 1iye n ASP 298 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1iye h LYS 299 N 8.80 0.00 0.00 -0.67 1.57 -2.03 -3.19 116.57 121.05 1iye h LYS 299 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1iye h LYS 299 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1iye h LYS 299 CO 1.42 0.00 -0.78 0.91 -0.57 0.00 0.00 179.45 180.43 1iye n TRP 300 N -2.44 0.00 -2.24 -1.35 8.01 -1.26 -5.01 117.44 113.14 1iye n TRP 300 Ca 0.02 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.18 1iye n TRP 300 Cb 0.25 -0.04 0.02 0.00 -2.01 0.00 0.00 31.31 29.53 1iye n TRP 300 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1iye n GLY 301 N 1.37 0.30 0.17 6.99 0.00 -1.21 -4.97 105.19 107.86 1iye n GLY 301 Ca 0.02 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1iye n GLY 301 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1iye n TRP 302 N -1.60 0.00 -3.65 1.61 8.01 -1.26 -4.81 117.44 115.74 1iye n TRP 302 Ca -0.05 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.75 1iye n TRP 302 Cb 0.53 -0.15 -0.12 0.00 -2.01 0.00 0.00 31.31 29.56 1iye n TRP 302 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1iye s LEU 303 N -2.67 4.42 -0.49 -0.99 1.43 -1.26 0.50 118.68 119.62 1iye s LEU 303 Ca 0.19 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.26 1iye s LEU 303 Cb 0.19 -1.98 0.08 0.00 0.03 0.00 0.00 46.19 44.50 1iye s LEU 303 CO 0.59 -0.31 0.46 -0.62 0.23 0.00 0.00 176.35 176.70 1iye s ASP 304 N 1.54 6.17 0.27 2.29 2.15 -0.66 -4.90 116.67 123.53 1iye s ASP 304 Ca 0.02 -1.29 -0.31 0.00 0.43 0.00 0.00 52.55 51.40 1iye s ASP 304 Cb -0.18 -2.21 -0.12 0.00 -0.30 0.00 0.00 42.92 40.10 1iye s ASP 304 CO 0.06 -0.73 1.53 0.00 -0.17 0.00 0.00 175.17 175.86 1iye n GLN 305 N 5.43 2.45 0.01 4.34 6.02 -1.26 -0.72 117.38 133.65 1iye n GLN 305 Ca -0.11 0.87 -0.18 0.00 -0.01 0.00 0.00 57.00 57.57 1iye n GLN 305 Cb 0.44 -2.61 -0.14 0.00 1.02 0.00 0.00 30.24 28.95 1iye n GLN 305 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1iye h VAL 306 N 3.26 1.57 0.00 5.09 2.07 -1.10 -3.46 116.25 123.68 1iye h VAL 306 Ca -0.46 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 64.66 1iye h VAL 306 Cb 1.24 3.15 0.00 0.00 -1.52 0.00 0.00 31.29 34.16 1iye h VAL 306 CO 0.79 0.67 0.00 0.59 0.02 0.00 0.00 177.57 179.64