#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3g n ALA 5 N 0.00 0.00 -3.63 7.82 0.00 -1.26 -4.52 120.51 118.92 1a3g n ALA 5 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1a3g n ALA 5 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1a3g n ALA 5 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1a3g s ASP 6 N -4.00 -0.32 0.00 0.00 1.47 -1.26 -4.69 116.67 107.86 1a3g s ASP 6 Ca 0.00 0.61 0.00 0.00 1.18 0.00 0.00 52.55 54.34 1a3g s ASP 6 Cb 0.00 0.51 0.00 0.00 -0.34 0.00 0.00 42.92 43.09 1a3g s ASP 6 CO 0.00 -0.16 0.00 -1.22 0.68 0.00 0.00 175.17 174.47 1a3g n TYR 7 N 4.02 0.00 -4.97 2.11 4.01 -1.14 -4.73 117.16 116.46 1a3g n TYR 7 Ca -0.23 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.19 1a3g n TYR 7 Cb 0.54 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.42 1a3g n TYR 7 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1a3g s ILE 8 N 0.00 2.55 0.98 -0.72 1.01 -0.58 -4.79 121.20 119.65 1a3g s ILE 8 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 1a3g s ILE 8 Cb 0.00 -2.03 0.18 0.00 0.01 0.00 0.00 42.46 40.62 1a3g s ILE 8 CO 0.00 0.54 1.08 0.86 0.00 0.00 0.00 174.94 177.43 1a3g s TRP 9 N 0.37 1.94 -0.30 3.97 -0.00 -0.93 -2.31 118.94 121.69 1a3g s TRP 9 Ca -0.14 1.30 -0.11 0.00 -0.00 0.00 0.00 56.10 57.14 1a3g s TRP 9 Cb -0.17 -3.18 0.18 0.00 -0.00 0.00 0.00 33.47 30.30 1a3g s TRP 9 CO 0.07 -2.88 0.98 0.12 -0.00 0.00 0.00 176.95 175.24 1a3g s PHE 10 N -2.77 -0.70 -1.68 5.86 2.19 0.91 -3.54 117.98 118.25 1a3g s PHE 10 Ca 0.65 0.79 -0.13 0.00 0.33 0.00 0.00 56.93 58.57 1a3g s PHE 10 Cb -0.21 0.26 0.12 0.00 -1.31 0.00 0.00 43.02 41.89 1a3g s PHE 10 CO 0.59 -0.38 0.52 0.09 1.83 0.00 0.00 175.22 177.87 1a3g n ASN 11 N 5.42 -1.58 0.00 6.13 3.02 0.10 -1.02 115.26 127.33 1a3g n ASN 11 Ca -0.06 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1a3g n ASN 11 Cb 0.53 -2.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.44 1a3g n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a3g n GLY 12 N -1.63 0.77 3.25 7.41 0.00 -1.26 -5.03 105.19 108.70 1a3g n GLY 12 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 1a3g n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a3g s GLU 13 N -0.26 1.06 0.14 1.61 0.41 -0.19 -5.12 118.70 116.34 1a3g s GLU 13 Ca 0.00 -1.39 -0.05 0.00 -0.41 0.00 0.00 54.97 53.12 1a3g s GLU 13 Cb 0.00 -0.72 -0.06 0.00 -1.78 0.00 0.00 34.13 31.57 1a3g s GLU 13 CO 0.00 0.11 0.38 -1.64 -0.49 0.00 0.00 175.26 173.61 1a3g s MET 14 N -3.41 3.62 -0.10 1.61 -1.94 -1.26 -0.06 119.30 117.77 1a3g s MET 14 Ca 0.14 -0.07 -0.08 0.00 -1.71 0.00 0.00 55.69 53.97 1a3g s MET 14 Cb 0.00 -2.86 0.03 0.00 2.01 0.00 0.00 34.83 34.01 1a3g s MET 14 CO 0.02 0.47 0.25 0.08 -0.01 0.00 0.00 175.02 175.83 1a3g s VAL 15 N -1.64 -0.01 0.41 -6.03 1.01 -0.98 -4.93 120.40 108.23 1a3g s VAL 15 Ca 0.40 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.16 1a3g s VAL 15 Cb -0.12 -0.37 -0.11 0.00 0.00 0.00 0.00 36.38 35.79 1a3g s VAL 15 CO 0.24 0.01 1.11 0.54 0.00 0.00 0.00 175.10 177.00 1a3g n ARG 16 N 3.19 1.58 -0.08 2.72 1.74 -1.26 -1.52 116.66 123.02 1a3g n ARG 16 Ca -0.15 0.56 0.26 0.00 -0.77 0.00 0.00 57.85 57.75 1a3g n ARG 16 Cb 0.57 -2.16 0.70 0.00 -1.02 0.00 0.00 32.46 30.55 1a3g n ARG 16 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1a3g h TRP 17 N 1.79 0.00 -0.38 -1.55 2.91 -1.84 -0.53 115.95 116.35 1a3g h TRP 17 Ca -0.45 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.57 1a3g h TRP 17 Cb 1.32 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.97 1a3g h TRP 17 CO 0.46 0.00 0.00 0.39 -1.03 0.00 0.00 178.44 178.26 1a3g n GLU 18 N -3.81 2.15 -0.08 2.65 4.71 -1.26 -3.75 120.64 121.25 1a3g n GLU 18 Ca 0.15 -1.76 0.03 0.00 -0.01 0.00 0.00 57.16 55.58 1a3g n GLU 18 Cb 0.94 -1.43 0.07 0.00 -1.01 0.00 0.00 31.44 30.01 1a3g n GLU 18 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1a3g n ASP 19 N 0.95 2.26 -4.41 1.62 8.00 -0.21 -4.75 116.55 120.02 1a3g n ASP 19 Ca 0.18 -1.78 -0.45 0.00 0.71 0.00 0.00 54.79 53.44 1a3g n ASP 19 Cb 0.45 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1a3g n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a3g s ALA 20 N -0.87 3.77 0.17 2.24 0.00 -1.24 -4.95 121.76 120.88 1a3g s ALA 20 Ca 0.12 -3.10 0.09 0.00 0.00 0.00 0.00 51.96 49.07 1a3g s ALA 20 Cb 0.07 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1a3g s ALA 20 CO 0.09 -2.68 -0.18 0.15 0.00 0.00 0.00 175.76 173.14 1a3g s LYS 21 N 1.48 1.29 -0.02 0.00 1.02 -1.26 -5.09 119.74 117.16 1a3g s LYS 21 Ca 0.29 -1.42 -0.02 0.00 0.02 0.00 0.00 55.97 54.84 1a3g s LYS 21 Cb -0.06 -1.35 0.00 0.00 -0.52 0.00 0.00 37.83 35.90 1a3g s LYS 21 CO -0.08 0.27 0.06 0.54 -0.92 0.00 0.00 175.35 175.22 1a3g s VAL 22 N -2.06 0.02 0.49 3.17 0.11 -1.26 -5.13 120.40 115.73 1a3g s VAL 22 Ca 0.16 -0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 58.79 1a3g s VAL 22 Cb -0.06 -0.15 -0.07 0.00 -1.53 0.00 0.00 36.38 34.57 1a3g s VAL 22 CO 0.07 -0.10 1.36 1.57 -3.33 0.00 0.00 175.10 174.66 1a3g n HIS 23 N 2.71 2.37 0.10 1.54 -0.00 -1.26 -4.92 115.22 115.76 1a3g n HIS 23 Ca -0.15 0.45 0.02 0.00 0.46 0.00 0.00 57.72 58.50 1a3g n HIS 23 Cb 0.59 -2.40 0.09 0.00 -0.12 0.00 0.00 29.99 28.15 1a3g n HIS 23 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1a3g n VAL 24 N -0.57 1.77 -1.76 3.57 0.31 -1.26 -2.74 118.33 117.66 1a3g n VAL 24 Ca 0.08 0.47 -0.27 0.00 -0.01 0.00 0.00 64.34 64.60 1a3g n VAL 24 Cb 0.42 -1.42 0.05 0.00 -0.91 0.00 0.00 33.84 31.98 1a3g n VAL 24 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1a3g n MET 25 N -1.54 3.24 -3.03 5.55 2.81 -1.26 -4.91 117.12 117.97 1a3g n MET 25 Ca 0.01 -3.83 -0.39 0.00 -1.81 0.00 0.00 57.70 51.67 1a3g n MET 25 Cb 0.03 -2.27 -0.06 0.00 -0.71 0.00 0.00 33.22 30.22 1a3g n MET 25 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1a3g s SER 26 N -2.95 7.26 0.13 7.83 0.01 -1.11 -4.43 113.70 120.44 1a3g s SER 26 Ca 0.56 1.50 -0.26 0.00 1.31 0.00 0.00 55.95 59.05 1a3g s SER 26 Cb 0.45 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 64.15 1a3g s SER 26 CO 0.02 0.14 1.45 -0.74 0.41 0.00 0.00 173.24 174.51 1a3g h HIS 27 N 4.95 -1.53 -1.38 2.43 2.76 0.16 -2.25 115.15 120.30 1a3g h HIS 27 Ca -0.46 0.10 0.40 0.00 -2.20 0.00 0.00 60.37 58.21 1a3g h HIS 27 Cb 1.21 0.76 -0.06 0.00 1.55 0.00 0.00 27.41 30.86 1a3g h HIS 27 CO 0.65 -0.33 0.98 0.00 -1.30 0.00 0.00 177.93 177.93 1a3g h ALA 28 N 0.11 3.22 0.00 5.26 0.00 -1.70 0.47 119.26 126.63 1a3g h ALA 28 Ca 0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1a3g h ALA 28 Cb 0.38 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1a3g h ALA 28 CO -0.70 -1.64 -0.30 -0.07 0.00 0.00 0.00 179.25 176.54 1a3g h LEU 29 N 0.03 0.00 0.01 0.00 3.38 -1.71 -2.29 115.31 114.73 1a3g h LEU 29 Ca 0.67 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 58.24 1a3g h LEU 29 Cb 2.60 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 43.29 1a3g h LEU 29 CO -0.06 0.30 -2.35 1.41 0.09 0.00 0.00 178.44 177.83 1a3g n HIS 30 N -3.25 0.23 0.70 1.13 8.25 0.15 -4.71 115.22 117.72 1a3g n HIS 30 Ca 0.02 0.07 0.08 0.00 -0.26 0.00 0.00 57.72 57.63 1a3g n HIS 30 Cb 0.58 -1.03 0.07 0.00 1.12 0.00 0.00 29.99 30.73 1a3g n HIS 30 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1a3g n TYR 31 N -3.74 0.00 -2.21 4.41 4.01 -0.48 -5.00 117.16 114.15 1a3g n TYR 31 Ca -0.47 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.13 1a3g n TYR 31 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.95 1a3g n TYR 31 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a3g n GLY 32 N 0.96 -0.10 2.31 2.72 0.00 -0.86 -4.92 105.19 105.30 1a3g n GLY 32 Ca 0.10 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1a3g n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a3g n THR 33 N -3.90 3.19 -4.58 2.61 -2.24 -1.26 -2.59 114.28 105.52 1a3g n THR 33 Ca -0.17 -2.46 -0.27 0.00 -2.27 0.00 0.00 64.05 58.87 1a3g n THR 33 Cb 0.62 -1.71 -0.11 0.00 -2.10 0.00 0.00 70.33 67.04 1a3g n THR 33 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a3g s SER 34 N 0.86 3.86 -0.02 3.42 1.04 -1.26 -3.39 113.70 118.21 1a3g s SER 34 Ca 0.60 -1.30 0.01 0.00 0.48 0.00 0.00 55.95 55.73 1a3g s SER 34 Cb 0.35 -0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.10 1a3g s SER 34 CO -0.15 -0.37 -0.01 -0.69 0.98 0.00 0.00 173.24 173.01 1a3g s VAL 35 N -2.67 0.17 0.28 5.02 1.01 -0.12 -0.58 120.40 123.50 1a3g s VAL 35 Ca 0.34 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1a3g s VAL 35 Cb 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1a3g s VAL 35 CO 0.18 0.10 0.16 0.72 0.00 0.00 0.00 175.10 176.26 1a3g s PHE 36 N 0.58 1.50 0.07 5.22 -0.71 -1.00 -1.12 117.98 122.52 1a3g s PHE 36 Ca -0.06 -1.39 0.00 0.00 -1.04 0.00 0.00 56.93 54.44 1a3g s PHE 36 Cb -0.08 -0.77 -0.04 0.00 -1.21 0.00 0.00 43.02 40.92 1a3g s PHE 36 CO -0.01 -0.58 -0.05 -1.21 -1.34 0.00 0.00 175.22 172.04 1a3g s GLU 37 N -3.88 0.70 -0.15 1.99 0.41 -0.83 -4.77 118.70 112.18 1a3g s GLU 37 Ca 0.37 -1.26 0.00 0.00 -0.41 0.00 0.00 54.97 53.67 1a3g s GLU 37 Cb 0.05 0.03 0.03 0.00 -1.78 0.00 0.00 34.13 32.46 1a3g s GLU 37 CO 0.17 -0.07 -0.12 0.20 -0.49 0.00 0.00 175.26 174.95 1a3g s GLY 38 N -2.96 1.09 0.03 -1.39 0.00 -1.26 -3.96 107.32 98.87 1a3g s GLY 38 Ca 0.09 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.96 1a3g s GLY 38 CO -0.08 0.61 -0.12 -0.42 0.00 0.00 0.00 173.10 173.10 1a3g s ILE 39 N 1.52 0.92 -0.04 0.90 1.01 -0.71 -4.93 121.20 119.86 1a3g s ILE 39 Ca 0.04 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1a3g s ILE 39 Cb -0.13 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 1a3g s ILE 39 CO -0.10 -0.05 -0.21 -0.13 0.00 0.00 0.00 174.94 174.45 1a3g s ARG 40 N -1.09 2.37 -0.22 2.79 1.81 -1.26 0.82 118.95 124.17 1a3g s ARG 40 Ca -0.00 -0.84 -0.08 0.00 -1.72 0.00 0.00 55.73 53.09 1a3g s ARG 40 Cb -0.07 -2.20 -0.04 0.00 -0.45 0.00 0.00 34.95 32.19 1a3g s ARG 40 CO 0.01 0.53 0.08 0.00 -0.68 0.00 0.00 175.30 175.24 1a3g s TYR 42 N 1.13 2.84 -0.36 0.00 2.02 0.31 -3.06 117.35 120.23 1a3g s TYR 42 Ca 0.05 -0.27 -0.29 0.00 -0.37 0.00 0.00 57.07 56.19 1a3g s TYR 42 Cb -0.14 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.66 1a3g s TYR 42 CO 0.03 0.08 1.38 0.34 -1.57 0.00 0.00 175.55 175.82 1a3g s ASP 43 N -0.29 6.45 0.00 2.29 -1.08 -1.26 -0.12 116.67 122.67 1a3g s ASP 43 Ca 0.03 1.00 0.00 0.00 -0.52 0.00 0.00 52.55 53.06 1a3g s ASP 43 Cb -0.13 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1a3g s ASP 43 CO 0.03 -1.30 0.00 -1.54 0.52 0.00 0.00 175.17 172.87 1a3g n SER 44 N 8.39 1.13 -1.02 -0.34 3.41 -1.26 -4.81 113.62 119.11 1a3g n SER 44 Ca 0.16 -0.64 -0.00 0.00 -0.26 0.00 0.00 58.87 58.13 1a3g n SER 44 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1a3g n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a3g n HIS 45 N -0.28 0.02 0.00 7.33 1.44 0.49 -2.86 115.22 121.36 1a3g n HIS 45 Ca 0.00 -0.52 0.00 0.00 -2.01 0.00 0.00 57.72 55.19 1a3g n HIS 45 Cb 0.00 -0.26 0.00 0.00 0.12 0.00 0.00 29.99 29.85 1a3g n HIS 45 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1a3g n LYS 46 N 0.51 0.00 -0.05 -1.40 2.85 -1.26 -4.98 118.16 113.84 1a3g n LYS 46 Ca 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 1a3g n LYS 46 Cb 0.51 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.91 1a3g n LYS 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a3g n GLY 47 N 0.00 -3.19 3.69 2.58 0.00 -1.14 -4.83 105.19 102.31 1a3g n GLY 47 Ca 0.00 -1.33 -0.58 0.00 0.00 0.00 0.00 46.02 44.11 1a3g n GLY 47 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a3g n PRO 48 N -2.07 0.94 -4.06 1.61 -0.02 -1.26 -4.26 135.00 125.89 1a3g n PRO 48 Ca 0.01 0.34 -0.19 0.00 -2.02 0.00 0.00 63.50 61.65 1a3g n PRO 48 Cb 0.05 -1.99 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 1a3g n PRO 48 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a3g s VAL 49 N 2.90 0.38 -0.13 -1.45 0.11 0.83 -2.11 120.40 120.92 1a3g s VAL 49 Ca 0.97 -0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 59.76 1a3g s VAL 49 Cb -1.13 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 33.26 1a3g s VAL 49 CO 0.65 0.19 0.70 -0.69 -3.33 0.00 0.00 175.10 172.63 1a3g s VAL 50 N 0.99 5.00 -0.35 2.04 1.01 0.46 0.12 120.40 129.67 1a3g s VAL 50 Ca -0.10 1.40 -0.26 0.00 0.00 0.00 0.00 61.98 63.01 1a3g s VAL 50 Cb -0.14 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1a3g s VAL 50 CO -0.01 0.16 0.94 0.12 0.00 0.00 0.00 175.10 176.31 1a3g s PHE 51 N 1.45 3.11 -1.23 5.22 5.36 -0.41 -1.74 117.98 129.74 1a3g s PHE 51 Ca 0.35 0.86 -0.15 0.00 -0.96 0.00 0.00 56.93 57.03 1a3g s PHE 51 Cb -0.17 -3.61 -0.00 0.00 -0.34 0.00 0.00 43.02 38.90 1a3g s PHE 51 CO 0.14 -0.79 0.67 0.54 -1.46 0.00 0.00 175.22 174.33 1a3g n ARG 52 N 6.73 -1.90 0.26 10.12 1.74 0.28 -4.68 116.66 129.20 1a3g n ARG 52 Ca 0.08 0.42 -0.15 0.00 -0.77 0.00 0.00 57.85 57.42 1a3g n ARG 52 Cb 0.48 -4.17 -0.08 0.00 -1.02 0.00 0.00 32.46 27.67 1a3g n ARG 52 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1a3g h HIS 53 N -1.93 -0.60 -0.73 -1.55 2.76 -1.81 -2.79 115.15 108.50 1a3g h HIS 53 Ca -0.66 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 57.45 1a3g h HIS 53 Cb 1.37 0.20 -0.03 0.00 1.55 0.00 0.00 27.41 30.49 1a3g h HIS 53 CO 0.39 -0.31 0.25 -0.09 -1.30 0.00 0.00 177.93 176.87 1a3g h ARG 54 N -0.79 1.12 0.00 5.26 2.43 -1.94 -1.86 114.38 118.61 1a3g h ARG 54 Ca -0.07 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 58.85 1a3g h ARG 54 Cb 0.56 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1a3g h ARG 54 CO 0.11 0.94 -0.12 0.93 -1.51 0.00 0.00 179.97 180.32 1a3g h GLU 55 N 1.07 0.00 0.00 0.20 3.07 -1.94 0.64 114.58 117.61 1a3g h GLU 55 Ca 0.24 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.96 1a3g h GLU 55 Cb 0.27 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1a3g h GLU 55 CO -0.01 0.12 -0.65 0.45 -1.40 0.00 0.00 179.01 177.52 1a3g h HIS 56 N 0.00 0.00 0.16 4.33 3.86 -1.06 -2.87 115.15 119.57 1a3g h HIS 56 Ca -0.00 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.91 1a3g h HIS 56 Cb 0.22 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.71 1a3g h HIS 56 CO 0.00 0.65 -1.30 0.52 0.86 0.00 0.00 177.93 178.65 1a3g h MET 57 N 0.00 0.41 0.00 2.45 2.86 -0.88 -1.90 114.93 117.88 1a3g h MET 57 Ca -0.01 -0.66 -0.00 0.00 -2.06 0.00 0.00 59.70 56.97 1a3g h MET 57 Cb 1.23 0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.13 1a3g h MET 57 CO 0.08 1.31 -0.00 0.37 1.06 0.00 0.00 176.91 179.73 1a3g h GLN 58 N 0.13 -0.00 0.00 1.72 5.75 -0.99 -1.08 115.11 120.64 1a3g h GLN 58 Ca -0.18 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.31 1a3g h GLN 58 Cb 2.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.55 1a3g h GLN 58 CO 0.23 0.01 -0.04 -0.09 -2.65 0.00 0.00 178.83 176.29 1a3g h ARG 59 N -0.01 0.00 -0.04 1.69 2.43 -1.44 0.27 114.38 117.27 1a3g h ARG 59 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1a3g h ARG 59 Cb 0.01 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1a3g h ARG 59 CO 0.00 0.04 -0.02 1.25 -1.51 0.00 0.00 179.97 179.73 1a3g h LEU 60 N 0.00 0.09 -0.54 3.80 6.46 -0.40 -2.06 115.31 122.66 1a3g h LEU 60 Ca -0.00 -0.41 0.09 0.00 -0.12 0.00 0.00 57.88 57.44 1a3g h LEU 60 Cb 0.15 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 39.98 1a3g h LEU 60 CO 0.01 0.48 0.15 0.45 -0.62 0.00 0.00 178.44 178.91 1a3g h HIS 61 N -0.30 0.26 -0.70 1.25 3.86 0.52 -2.38 115.15 117.66 1a3g h HIS 61 Ca 0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1a3g h HIS 61 Cb 0.45 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 1a3g h HIS 61 CO 0.07 0.04 0.39 -0.44 0.86 0.00 0.00 177.93 178.84 1a3g h ASP 62 N 0.30 0.88 -0.50 2.45 3.32 -0.96 0.20 116.42 122.12 1a3g h ASP 62 Ca 0.27 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.28 1a3g h ASP 62 Cb 0.35 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1a3g h ASP 62 CO -0.32 0.72 0.33 0.28 -1.72 0.00 0.00 179.24 178.54 1a3g h SER 63 N 0.97 0.41 0.61 6.45 0.02 -0.84 -2.67 113.55 118.49 1a3g h SER 63 Ca 0.25 -0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.92 1a3g h SER 63 Cb 0.04 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1a3g h SER 63 CO -0.04 0.27 -1.37 0.00 -1.14 0.00 0.00 176.83 174.55 1a3g h ALA 64 N 1.73 0.28 -0.40 3.77 0.00 -1.11 -3.21 119.26 120.31 1a3g h ALA 64 Ca 0.21 -1.04 0.05 0.00 0.00 0.00 0.00 54.91 54.13 1a3g h ALA 64 Cb 0.25 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1a3g h ALA 64 CO -0.06 1.15 0.13 -0.22 0.00 0.00 0.00 179.25 180.26 1a3g h LYS 65 N 0.05 0.28 -0.93 0.00 3.64 -0.73 0.60 116.57 119.48 1a3g h LYS 65 Ca -0.17 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1a3g h LYS 65 Cb 1.96 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.67 1a3g h LYS 65 CO 0.16 0.18 0.57 0.82 -2.27 0.00 0.00 179.45 178.91 1a3g h ILE 66 N 0.28 1.25 -0.39 2.00 2.04 -1.57 -1.17 117.51 119.96 1a3g h ILE 66 Ca 0.19 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1a3g h ILE 66 Cb 0.18 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1a3g h ILE 66 CO -0.20 0.26 0.00 -1.22 0.00 0.00 0.00 178.15 177.00 1a3g n TYR 67 N -4.38 0.51 -1.24 1.37 4.02 -0.56 -4.94 117.16 111.94 1a3g n TYR 67 Ca 0.10 -0.26 -0.08 0.00 -0.01 0.00 0.00 57.90 57.66 1a3g n TYR 67 Cb 0.05 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.34 1a3g n TYR 67 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1a3g n ARG 68 N 0.92 -1.37 -2.06 -0.72 1.74 0.20 -4.96 116.66 110.41 1a3g n ARG 68 Ca 0.17 0.74 -0.42 0.00 -0.77 0.00 0.00 57.85 57.57 1a3g n ARG 68 Cb 0.44 -4.94 -0.03 0.00 -1.02 0.00 0.00 32.46 26.91 1a3g n ARG 68 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1a3g s PHE 69 N -1.91 3.14 0.36 -1.55 0.08 -0.65 -4.97 117.98 112.47 1a3g s PHE 69 Ca 0.00 0.84 -0.25 0.00 0.12 0.00 0.00 56.93 57.64 1a3g s PHE 69 Cb 0.00 -3.80 -0.09 0.00 -0.57 0.00 0.00 43.02 38.56 1a3g s PHE 69 CO 0.00 -2.82 1.01 -1.25 -0.10 0.00 0.00 175.22 172.06 1a3g s PRO 70 N 0.88 4.37 -0.12 0.24 0.04 -1.26 -4.56 135.00 134.59 1a3g s PRO 70 Ca 0.66 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 63.15 1a3g s PRO 70 Cb -0.40 -2.70 0.04 0.00 0.04 0.00 0.00 34.50 31.47 1a3g s PRO 70 CO 0.33 0.06 -0.00 0.08 0.04 0.00 0.00 177.00 177.50 1a3g s VAL 71 N -1.60 0.58 0.09 -0.36 1.01 -1.26 -4.28 120.40 114.58 1a3g s VAL 71 Ca 0.54 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 1a3g s VAL 71 Cb -0.22 -0.82 -0.10 0.00 0.00 0.00 0.00 36.38 35.25 1a3g s VAL 71 CO 0.27 0.12 1.41 0.28 0.00 0.00 0.00 175.10 177.18 1a3g h SER 72 N 8.26 0.67 -3.47 3.32 0.02 -1.97 -3.45 113.55 116.92 1a3g h SER 72 Ca -0.20 -0.47 -0.54 0.00 -0.84 0.00 0.00 61.79 59.74 1a3g h SER 72 Cb 1.12 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 1a3g h SER 72 CO 0.32 1.00 0.22 -1.10 -1.14 0.00 0.00 176.83 176.12 1a3g s GLN 73 N -4.36 4.56 1.08 3.45 1.11 -1.26 -5.04 119.66 119.19 1a3g s GLN 73 Ca -0.13 1.18 -0.15 0.00 0.01 0.00 0.00 55.36 56.27 1a3g s GLN 73 Cb 0.08 -3.36 0.23 0.00 -1.01 0.00 0.00 33.01 28.95 1a3g s GLN 73 CO 0.81 0.28 1.10 -1.54 0.01 0.00 0.00 175.29 175.95 1a3g s SER 74 N -0.12 1.93 0.08 5.90 1.04 -1.26 -4.79 113.70 116.48 1a3g s SER 74 Ca 0.41 0.97 -0.17 0.00 0.48 0.00 0.00 55.95 57.63 1a3g s SER 74 Cb -0.21 -1.48 -0.09 0.00 0.10 0.00 0.00 66.02 64.34 1a3g s SER 74 CO 0.25 -3.54 1.46 0.40 0.98 0.00 0.00 173.24 172.79 1a3g h ILE 75 N -2.17 1.29 -0.41 -1.02 2.04 -1.96 -1.59 117.51 113.69 1a3g h ILE 75 Ca -0.52 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.15 1a3g h ILE 75 Cb 1.32 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1a3g h ILE 75 CO 0.49 0.36 0.07 0.44 0.00 0.00 0.00 178.15 179.51 1a3g h ASP 76 N 0.26 0.57 0.30 1.72 5.19 -1.99 0.38 116.42 122.85 1a3g h ASP 76 Ca 0.06 -0.09 -0.12 0.00 -0.62 0.00 0.00 57.03 56.26 1a3g h ASP 76 Cb 0.59 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1a3g h ASP 76 CO 0.03 0.59 -0.48 -0.33 -3.12 0.00 0.00 179.24 175.93 1a3g h GLU 77 N 0.59 0.22 -0.06 3.56 5.08 -1.87 -0.85 114.58 121.26 1a3g h GLU 77 Ca 0.13 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1a3g h GLU 77 Cb 0.28 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1a3g h GLU 77 CO 0.00 0.66 -0.55 -0.07 -1.00 0.00 0.00 179.01 178.05 1a3g h LEU 78 N 0.18 0.21 0.08 1.33 3.38 0.56 -1.73 115.31 119.31 1a3g h LEU 78 Ca 0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1a3g h LEU 78 Cb 0.92 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1a3g h LEU 78 CO 0.07 0.72 -0.04 0.24 0.09 0.00 0.00 178.44 179.53 1a3g h MET 79 N 0.15 -0.10 -0.60 1.13 2.86 0.27 0.90 114.93 119.54 1a3g h MET 79 Ca -0.00 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1a3g h MET 79 Cb 1.02 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.66 1a3g h MET 79 CO 0.08 0.27 0.33 0.93 1.06 0.00 0.00 176.91 179.58 1a3g h GLU 80 N -0.50 0.61 -0.10 1.72 4.39 -1.20 0.39 114.58 119.89 1a3g h GLU 80 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1a3g h GLU 80 Cb 0.42 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1a3g h GLU 80 CO 0.02 0.40 0.06 0.00 -1.16 0.00 0.00 179.01 178.33 1a3g h ALA 81 N 1.31 1.93 0.03 3.43 0.00 -0.99 0.26 119.26 125.22 1a3g h ALA 81 Ca 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1a3g h ALA 81 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1a3g h ALA 81 CO -0.16 0.07 -0.02 0.00 0.00 0.00 0.00 179.25 179.14 1a3g h ARG 83 N -0.44 -0.81 -0.98 0.00 3.08 0.60 -1.92 114.38 113.92 1a3g h ARG 83 Ca -0.00 0.06 0.31 0.00 0.07 0.00 0.00 59.98 60.41 1a3g h ARG 83 Cb 0.41 0.18 -0.15 0.00 0.08 0.00 0.00 29.97 30.49 1a3g h ARG 83 CO 0.01 -0.54 0.51 -0.44 -1.07 0.00 0.00 179.97 178.44 1a3g h ASP 84 N -0.84 0.43 0.44 7.04 3.32 -0.60 0.62 116.42 126.83 1a3g h ASP 84 Ca -0.03 0.19 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 1a3g h ASP 84 Cb 0.76 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1a3g h ASP 84 CO -0.09 -0.14 -0.45 0.58 -1.72 0.00 0.00 179.24 177.42 1a3g h VAL 85 N 0.31 1.33 0.43 -1.35 2.07 -0.81 0.23 116.25 118.45 1a3g h VAL 85 Ca 0.70 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1a3g h VAL 85 Cb 1.57 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1a3g h VAL 85 CO -0.62 0.45 -0.20 0.40 0.02 0.00 0.00 177.57 177.62 1a3g h ILE 86 N 0.02 0.19 0.11 4.57 2.04 0.89 -3.04 117.51 122.28 1a3g h ILE 86 Ca -0.00 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1a3g h ILE 86 Cb 0.81 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1a3g h ILE 86 CO 0.06 0.04 -0.15 0.03 0.00 0.00 0.00 178.15 178.13 1a3g h ARG 87 N -1.09 -0.27 -1.80 2.37 3.08 -1.17 -0.83 114.38 114.67 1a3g h ARG 87 Ca -0.06 0.02 0.54 0.00 0.07 0.00 0.00 59.98 60.55 1a3g h ARG 87 Cb 0.51 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.52 1a3g h ARG 87 CO 0.10 -0.18 1.27 -0.22 -1.07 0.00 0.00 179.97 179.86 1a3g h LYS 88 N -0.28 0.00 -0.02 0.04 1.63 -0.70 1.19 116.57 118.44 1a3g h LYS 88 Ca -0.01 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1a3g h LYS 88 Cb 0.25 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1a3g h LYS 88 CO -0.04 0.00 -0.15 0.09 -3.45 0.00 0.00 179.45 175.90 1a3g n ASN 89 N -4.17 2.02 -2.89 4.20 3.02 -0.40 -4.92 115.26 112.11 1a3g n ASN 89 Ca 0.43 -1.56 -0.12 0.00 -0.03 0.00 0.00 54.58 53.30 1a3g n ASN 89 Cb 1.88 0.13 0.06 0.00 -0.61 0.00 0.00 39.78 41.24 1a3g n ASN 89 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1a3g n ASN 90 N 0.37 -5.31 -4.50 6.41 5.15 0.41 -4.97 115.26 112.81 1a3g n ASN 90 Ca 0.14 -0.56 -0.28 0.00 -0.60 0.00 0.00 54.58 53.28 1a3g n ASN 90 Cb 0.46 -4.24 -0.11 0.00 -0.53 0.00 0.00 39.78 35.36 1a3g n ASN 90 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1a3g s LEU 91 N -4.96 2.73 0.01 1.20 1.43 -0.88 -5.02 118.68 113.19 1a3g s LEU 91 Ca 0.33 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1a3g s LEU 91 Cb -0.04 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.66 1a3g s LEU 91 CO 0.59 0.15 -0.02 0.35 0.23 0.00 0.00 176.35 177.65 1a3g n THR 92 N 0.48 0.30 -3.98 5.49 -2.24 -1.26 -4.72 114.28 108.35 1a3g n THR 92 Ca -0.14 0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 1a3g n THR 92 Cb 0.54 -1.54 -0.16 0.00 -2.10 0.00 0.00 70.33 67.07 1a3g n THR 92 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a3g s SER 93 N -5.28 2.91 0.31 3.42 1.04 -1.26 -4.03 113.70 110.80 1a3g s SER 93 Ca -0.02 -0.64 -0.07 0.00 0.48 0.00 0.00 55.95 55.71 1a3g s SER 93 Cb 0.01 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1a3g s SER 93 CO 0.02 -0.12 0.49 0.00 0.98 0.00 0.00 173.24 174.62 1a3g s ALA 94 N 1.50 0.32 -0.38 5.32 0.00 -1.17 -0.70 121.76 126.65 1a3g s ALA 94 Ca 0.02 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 1a3g s ALA 94 Cb -0.14 1.09 0.04 0.00 0.00 0.00 0.00 23.12 24.11 1a3g s ALA 94 CO -0.09 -0.82 0.20 -0.47 0.00 0.00 0.00 175.76 174.58 1a3g s TYR 95 N -3.32 3.27 0.09 0.00 5.04 0.26 0.10 117.35 122.80 1a3g s TYR 95 Ca 0.27 -1.22 -0.23 0.00 -2.44 0.00 0.00 57.07 53.45 1a3g s TYR 95 Cb -0.01 -2.55 -0.07 0.00 0.35 0.00 0.00 41.96 39.68 1a3g s TYR 95 CO 0.16 -0.72 0.71 0.42 -1.34 0.00 0.00 175.55 174.77 1a3g s ILE 96 N 1.49 4.60 -0.51 3.14 1.09 0.24 -2.32 121.20 128.93 1a3g s ILE 96 Ca 0.01 1.53 0.04 0.00 -1.10 0.00 0.00 60.65 61.13 1a3g s ILE 96 Cb -0.20 -4.06 0.14 0.00 -1.06 0.00 0.00 42.46 37.27 1a3g s ILE 96 CO 0.05 0.48 0.28 -0.60 -0.10 0.00 0.00 174.94 175.04 1a3g s ARG 97 N -0.74 1.82 0.05 2.79 6.06 0.20 -1.74 118.95 127.39 1a3g s ARG 97 Ca 0.35 -2.52 -0.28 0.00 -2.50 0.00 0.00 55.73 50.78 1a3g s ARG 97 Cb -0.21 -3.02 -0.05 0.00 0.06 0.00 0.00 34.95 31.73 1a3g s ARG 97 CO 0.23 -1.15 0.90 -2.14 -2.50 0.00 0.00 175.30 170.64 1a3g s PRO 98 N -0.23 4.60 0.18 5.12 0.02 -1.25 -2.40 135.00 141.03 1a3g s PRO 98 Ca 0.18 1.31 0.10 0.00 0.02 0.00 0.00 61.00 62.61 1a3g s PRO 98 Cb -0.23 -3.40 -0.04 0.00 0.02 0.00 0.00 34.50 30.85 1a3g s PRO 98 CO -0.02 0.15 -0.18 -0.51 -0.33 0.00 0.00 177.00 176.12 1a3g s LEU 99 N 0.29 2.68 -0.10 -5.54 1.43 -1.12 -1.96 118.68 114.37 1a3g s LEU 99 Ca 0.45 -0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1a3g s LEU 99 Cb -0.22 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1a3g s LEU 99 CO 0.27 0.12 0.06 -0.63 0.23 0.00 0.00 176.35 176.40 1a3g s ILE 100 N -1.59 0.04 0.08 -0.59 1.01 -0.28 -2.71 121.20 117.16 1a3g s ILE 100 Ca 0.22 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.98 1a3g s ILE 100 Cb -0.09 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1a3g s ILE 100 CO 0.12 0.02 -0.05 0.72 0.00 0.00 0.00 174.94 175.75 1a3g s PHE 101 N 2.10 0.74 -0.21 3.97 -0.71 -0.67 -0.94 117.98 122.25 1a3g s PHE 101 Ca 0.04 -0.94 -0.24 0.00 -1.04 0.00 0.00 56.93 54.75 1a3g s PHE 101 Cb -0.14 -0.46 -0.01 0.00 -1.21 0.00 0.00 43.02 41.20 1a3g s PHE 101 CO -0.06 -0.23 0.78 0.08 -1.34 0.00 0.00 175.22 174.46 1a3g s VAL 102 N -3.56 4.90 0.00 -2.49 1.01 -1.22 -0.30 120.40 118.74 1a3g s VAL 102 Ca 0.08 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1a3g s VAL 102 Cb 0.05 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1a3g s VAL 102 CO -0.06 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1a3g n GLY 103 N 3.68 0.59 3.39 4.51 0.00 -1.25 -2.24 105.19 113.88 1a3g n GLY 103 Ca 0.03 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 44.88 1a3g n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a3g s ASP 104 N -1.07 6.62 0.48 1.61 -1.08 -1.26 0.14 116.67 122.11 1a3g s ASP 104 Ca 0.00 -2.21 0.02 0.00 -0.52 0.00 0.00 52.55 49.84 1a3g s ASP 104 Cb 0.00 -2.31 -0.01 0.00 -1.46 0.00 0.00 42.92 39.14 1a3g s ASP 104 CO 0.00 -0.88 0.07 -0.69 0.52 0.00 0.00 175.17 174.19 1a3g s VAL 105 N 1.70 0.76 0.52 1.11 1.01 -1.26 -5.02 120.40 119.21 1a3g s VAL 105 Ca 0.24 -2.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.13 1a3g s VAL 105 Cb -0.10 -2.13 0.13 0.00 0.00 0.00 0.00 36.38 34.28 1a3g s VAL 105 CO -0.07 0.00 0.44 0.61 0.00 0.00 0.00 175.10 176.08 1a3g n GLY 106 N -1.15 -2.76 1.07 4.51 0.00 -1.26 -4.70 105.19 100.90 1a3g n GLY 106 Ca -0.14 -1.44 0.05 0.00 0.00 0.00 0.00 46.02 44.49 1a3g n GLY 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a3g n MET 107 N -2.99 2.69 -3.53 1.61 2.81 -1.26 -4.71 117.12 111.74 1a3g n MET 107 Ca 0.06 -1.67 -0.37 0.00 -1.81 0.00 0.00 57.70 53.91 1a3g n MET 107 Cb 0.24 -1.68 -0.08 0.00 -0.71 0.00 0.00 33.22 30.99 1a3g n MET 107 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1a3g s GLY 108 N -0.67 2.04 0.35 3.03 0.00 -1.26 -4.97 107.32 105.83 1a3g s GLY 108 Ca 0.30 -0.70 0.16 0.00 0.00 0.00 0.00 44.72 44.48 1a3g s GLY 108 CO 0.13 0.59 1.62 -2.08 0.00 0.00 0.00 173.10 173.36 1a3g h VAL 109 N 5.00 0.15 -3.31 1.40 2.07 -2.02 -3.29 116.25 116.25 1a3g h VAL 109 Ca -0.37 -0.05 -0.65 0.00 0.82 0.00 0.00 66.70 66.45 1a3g h VAL 109 Cb 1.17 -0.02 -0.15 0.00 -1.52 0.00 0.00 31.29 30.77 1a3g h VAL 109 CO 0.69 0.03 0.29 0.20 0.02 0.00 0.00 177.57 178.80 1a3g s ASN 110 N -4.75 6.30 0.46 0.57 -0.87 -1.26 -5.01 114.94 110.38 1a3g s ASN 110 Ca -0.10 -0.55 -0.22 0.00 -1.57 0.00 0.00 52.86 50.42 1a3g s ASN 110 Cb 0.31 -2.36 -0.10 0.00 -0.02 0.00 0.00 41.25 39.09 1a3g s ASN 110 CO 0.78 -1.01 0.85 -0.81 -2.57 0.00 0.00 177.10 174.35 1a3g n PRO 111 N 6.74 1.03 -0.81 -0.60 -0.04 -1.24 -4.87 135.00 135.20 1a3g n PRO 111 Ca -0.02 0.37 -0.34 0.00 -0.04 0.00 0.00 63.50 63.48 1a3g n PRO 111 Cb 0.47 -1.91 0.11 0.00 -0.04 0.00 0.00 33.50 32.14 1a3g n PRO 111 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1a3g n PRO 112 N 0.06 -0.57 -1.32 0.54 -0.02 -1.26 -4.94 135.00 127.49 1a3g n PRO 112 Ca 0.11 -0.14 -0.29 0.00 -2.02 0.00 0.00 63.50 61.16 1a3g n PRO 112 Cb 0.41 -1.61 0.15 0.00 -0.02 0.00 0.00 33.50 32.44 1a3g n PRO 112 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a3g s ALA 113 N -2.26 1.35 -1.73 3.55 0.00 -1.26 -3.80 121.76 117.61 1a3g s ALA 113 Ca 0.52 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 51.92 1a3g s ALA 113 Cb -0.16 -3.09 0.16 0.00 0.00 0.00 0.00 23.12 20.03 1a3g s ALA 113 CO 0.70 -2.56 0.59 0.41 0.00 0.00 0.00 175.76 174.90 1a3g n GLY 114 N -1.54 -0.37 2.40 0.00 0.00 -1.26 -4.93 105.19 99.49 1a3g n GLY 114 Ca 0.06 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1a3g n GLY 114 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1a3g n TYR 115 N -4.29 -2.89 -3.84 1.61 4.11 -1.25 -5.11 117.16 105.50 1a3g n TYR 115 Ca 0.01 -1.17 -0.12 0.00 -0.00 0.00 0.00 57.90 56.61 1a3g n TYR 115 Cb 0.52 -0.40 -0.11 0.00 -0.00 0.00 0.00 39.34 39.34 1a3g n TYR 115 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1a3g s SER 116 N -3.39 -0.08 0.13 9.48 0.01 -1.26 -4.84 113.70 113.74 1a3g s SER 116 Ca 0.39 0.10 -0.26 0.00 1.31 0.00 0.00 55.95 57.50 1a3g s SER 116 Cb -0.03 0.27 -0.07 0.00 0.21 0.00 0.00 66.02 66.41 1a3g s SER 116 CO 0.26 -0.18 0.79 0.42 0.41 0.00 0.00 173.24 174.94 1a3g s THR 117 N -0.52 4.48 0.19 1.44 -4.23 -1.26 -3.91 115.64 111.83 1a3g s THR 117 Ca -0.06 1.72 -0.14 0.00 -1.18 0.00 0.00 61.69 62.03 1a3g s THR 117 Cb -0.04 -4.15 -0.07 0.00 1.34 0.00 0.00 72.50 69.58 1a3g s THR 117 CO 0.01 0.46 0.59 -1.81 -0.54 0.00 0.00 174.62 173.33 1a3g s ASP 118 N -0.73 6.82 -0.03 3.99 1.01 0.59 -4.90 116.67 123.42 1a3g s ASP 118 Ca 0.38 1.12 0.05 0.00 0.71 0.00 0.00 52.55 54.80 1a3g s ASP 118 Cb -0.22 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 1a3g s ASP 118 CO 0.26 0.03 -0.17 -0.69 0.21 0.00 0.00 175.17 174.81 1a3g s VAL 119 N -1.58 1.40 0.34 -1.27 1.01 -1.26 -1.68 120.40 117.37 1a3g s VAL 119 Ca 0.42 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1a3g s VAL 119 Cb -0.14 -1.19 -0.07 0.00 0.00 0.00 0.00 36.38 34.98 1a3g s VAL 119 CO 0.20 0.40 -0.02 -0.63 0.00 0.00 0.00 175.10 175.05 1a3g s ILE 120 N -0.15 1.78 -0.42 2.22 1.09 -1.10 0.01 121.20 124.62 1a3g s ILE 120 Ca 0.01 -2.08 0.08 0.00 -1.10 0.00 0.00 60.65 57.56 1a3g s ILE 120 Cb -0.09 -2.73 0.18 0.00 -1.06 0.00 0.00 42.46 38.76 1a3g s ILE 120 CO 0.01 -0.12 0.63 -0.63 -0.10 0.00 0.00 174.94 174.73 1a3g s ILE 121 N -2.90 -0.98 0.32 2.92 1.01 -1.23 -2.78 121.20 117.56 1a3g s ILE 121 Ca 0.33 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.79 1a3g s ILE 121 Cb 0.06 -0.02 -0.06 0.00 0.01 0.00 0.00 42.46 42.46 1a3g s ILE 121 CO 0.15 -0.02 0.62 0.00 0.00 0.00 0.00 174.94 175.70 1a3g s ALA 122 N 1.74 3.53 -0.14 9.38 0.00 -1.01 -2.18 121.76 133.09 1a3g s ALA 122 Ca 0.17 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.64 1a3g s ALA 122 Cb -0.04 -2.43 0.06 0.00 0.00 0.00 0.00 23.12 20.70 1a3g s ALA 122 CO -0.07 0.19 0.31 0.00 0.00 0.00 0.00 175.76 176.19 1a3g s ALA 123 N -2.15 -0.75 0.10 0.00 0.00 -1.26 0.63 121.76 118.33 1a3g s ALA 123 Ca 0.46 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.64 1a3g s ALA 123 Cb -0.11 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1a3g s ALA 123 CO 0.30 -0.37 -0.09 -0.59 0.00 0.00 0.00 175.76 175.01 1a3g s PHE 124 N 1.69 1.03 0.21 0.00 -0.71 -0.98 -4.83 117.98 114.39 1a3g s PHE 124 Ca -0.06 -0.74 -0.32 0.00 -1.04 0.00 0.00 56.93 54.77 1a3g s PHE 124 Cb -0.10 -0.56 -0.12 0.00 -1.21 0.00 0.00 43.02 41.03 1a3g s PHE 124 CO -0.10 -0.03 1.72 -1.25 -1.34 0.00 0.00 175.22 174.22 1a3g s PRO 125 N -3.21 4.12 0.57 1.99 0.04 -1.26 -0.57 135.00 136.68 1a3g s PRO 125 Ca 0.09 2.61 0.07 0.00 0.04 0.00 0.00 61.00 63.81 1a3g s PRO 125 Cb 0.00 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.54 1a3g s PRO 125 CO -0.01 -0.75 0.54 -0.46 0.04 0.00 0.00 177.00 176.36 1a3g s TRP 126 N 1.11 1.40 0.00 0.56 -0.00 0.12 -4.74 118.94 117.40 1a3g s TRP 126 Ca 0.74 -0.85 0.00 0.00 -0.00 0.00 0.00 56.10 56.00 1a3g s TRP 126 Cb -0.50 -1.98 0.00 0.00 -0.00 0.00 0.00 33.47 30.99 1a3g s TRP 126 CO 0.33 -0.76 0.00 0.94 -0.00 0.00 0.00 176.95 177.45 1a3g n GLN 137 N -1.96 0.00 -0.00 5.86 -0.06 -1.26 -4.95 117.38 115.00 1a3g n GLN 137 Ca 0.04 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 55.04 1a3g n GLN 137 Cb 0.64 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.82 1a3g n GLN 137 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a3g n GLY 138 N 0.00 -1.87 0.05 1.69 0.00 -1.26 -4.78 105.19 99.02 1a3g n GLY 138 Ca 0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 1a3g n GLY 138 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1a3g n ILE 139 N -2.29 0.61 -1.21 -0.61 -5.35 0.07 -4.77 119.36 105.81 1a3g n ILE 139 Ca 0.00 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1a3g n ILE 139 Cb 0.00 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.10 1a3g n ILE 139 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1a3g n ASP 140 N -2.44 -1.62 -4.98 7.28 8.00 -1.24 -4.60 116.55 116.95 1a3g n ASP 140 Ca -0.16 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.14 1a3g n ASP 140 Cb 0.77 -0.81 0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1a3g n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a3g s ALA 141 N -0.13 4.11 0.04 2.24 0.00 -0.51 -2.54 121.76 124.97 1a3g s ALA 141 Ca 0.00 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.60 1a3g s ALA 141 Cb 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 1a3g s ALA 141 CO 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 175.76 175.28 1a3g s MET 142 N -4.48 0.60 -0.11 0.00 0.23 -0.45 -2.11 119.30 112.98 1a3g s MET 142 Ca 0.52 -0.66 -0.24 0.00 -1.03 0.00 0.00 55.69 54.27 1a3g s MET 142 Cb -0.10 -0.47 -0.03 0.00 -1.53 0.00 0.00 34.83 32.70 1a3g s MET 142 CO 0.35 0.10 0.76 0.08 -2.03 0.00 0.00 175.02 174.28 1a3g s VAL 143 N -1.04 4.98 0.54 5.16 1.01 -1.26 0.56 120.40 130.34 1a3g s VAL 143 Ca -0.05 1.53 -0.18 0.00 0.00 0.00 0.00 61.98 63.28 1a3g s VAL 143 Cb -0.08 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1a3g s VAL 143 CO 0.01 0.16 1.04 -0.55 0.00 0.00 0.00 175.10 175.75 1a3g s SER 144 N 0.98 6.12 0.00 3.32 0.15 0.31 -4.91 113.70 119.67 1a3g s SER 144 Ca 0.38 1.84 0.29 0.00 0.70 0.00 0.00 55.95 59.16 1a3g s SER 144 Cb -0.17 -2.54 1.28 0.00 -1.71 0.00 0.00 66.02 62.87 1a3g s SER 144 CO 0.16 -0.94 1.87 -1.54 1.20 0.00 0.00 173.24 174.00 1a3g n SER 145 N -1.52 1.05 -4.78 5.45 3.41 -1.26 -4.70 113.62 111.28 1a3g n SER 145 Ca 0.09 -1.32 -0.28 0.00 -0.26 0.00 0.00 58.87 57.10 1a3g n SER 145 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1a3g n SER 145 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1a3g s TRP 146 N -2.03 3.15 0.36 7.33 0.52 -1.26 -5.12 118.94 121.89 1a3g s TRP 146 Ca 0.40 0.02 0.09 0.00 0.02 0.00 0.00 56.10 56.62 1a3g s TRP 146 Cb 0.21 -1.55 -0.06 0.00 -1.15 0.00 0.00 33.47 30.92 1a3g s TRP 146 CO 0.35 0.52 -0.02 -0.80 0.02 0.00 0.00 176.95 177.03 1a3g s ASN 147 N -2.78 3.97 0.29 2.95 0.02 -1.26 -4.39 114.94 113.73 1a3g s ASN 147 Ca 0.30 -1.15 -0.02 0.00 -1.02 0.00 0.00 52.86 50.97 1a3g s ASN 147 Cb -0.11 -0.43 -0.04 0.00 0.02 0.00 0.00 41.25 40.69 1a3g s ASN 147 CO 0.22 -0.29 0.51 -0.13 0.02 0.00 0.00 177.10 177.43 1a3g s ARG 148 N -3.69 3.55 0.12 -0.60 0.52 -0.81 -4.98 118.95 113.06 1a3g s ARG 148 Ca 0.34 -0.21 -0.22 0.00 -0.52 0.00 0.00 55.73 55.12 1a3g s ARG 148 Cb 0.03 -2.70 -0.13 0.00 0.52 0.00 0.00 34.95 32.67 1a3g s ARG 148 CO 0.18 0.24 0.45 0.00 0.02 0.00 0.00 175.30 176.19 1a3g n ALA 149 N -1.18 -2.46 -1.93 2.13 0.00 -1.26 -4.18 120.51 111.63 1a3g n ALA 149 Ca -0.04 0.34 -0.27 0.00 0.00 0.00 0.00 53.44 53.48 1a3g n ALA 149 Cb 0.55 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.86 1a3g n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a3g s ALA 150 N -0.62 3.03 0.14 0.00 0.00 -1.26 -4.76 121.76 118.28 1a3g s ALA 150 Ca 0.50 -0.81 -0.26 0.00 0.00 0.00 0.00 51.96 51.40 1a3g s ALA 150 Cb -0.73 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1a3g s ALA 150 CO 0.41 -1.35 1.60 -1.35 0.00 0.00 0.00 175.76 175.08 1a3g h PRO 151 N -0.68 -0.40 -1.82 0.00 0.11 -1.92 -3.11 132.00 124.17 1a3g h PRO 151 Ca -0.45 0.03 -0.65 0.00 0.11 0.00 0.00 66.00 65.04 1a3g h PRO 151 Cb 1.31 0.09 -0.37 0.00 0.11 0.00 0.00 31.00 32.14 1a3g h PRO 151 CO 0.62 -0.27 -0.15 -1.71 -0.21 0.00 0.00 178.00 176.28 1a3g n ASN 152 N -5.42 5.55 -0.00 -2.05 5.15 -1.26 -4.58 115.26 112.65 1a3g n ASN 152 Ca -0.03 -3.74 -0.00 0.00 -0.60 0.00 0.00 54.58 50.21 1a3g n ASN 152 Cb 0.33 -0.68 -0.00 0.00 -0.53 0.00 0.00 39.78 38.91 1a3g n ASN 152 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1a3g n THR 153 N -0.42 0.06 -4.00 -0.44 -2.24 -1.17 -4.98 114.28 101.09 1a3g n THR 153 Ca 0.42 0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 62.19 1a3g n THR 153 Cb 0.48 -1.34 -0.15 0.00 -2.10 0.00 0.00 70.33 67.22 1a3g n THR 153 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1a3g s ILE 154 N -1.07 1.85 -0.49 2.28 1.01 -1.26 -5.07 121.20 118.46 1a3g s ILE 154 Ca -0.01 -1.51 -0.46 0.00 0.00 0.00 0.00 60.65 58.67 1a3g s ILE 154 Cb 0.00 -2.08 -0.20 0.00 0.01 0.00 0.00 42.46 40.19 1a3g s ILE 154 CO 0.01 -0.14 1.69 -2.65 0.00 0.00 0.00 174.94 173.85 1a3g n PRO 155 N 4.53 0.07 0.07 2.79 -0.02 -1.26 -4.86 135.00 136.32 1a3g n PRO 155 Ca -0.11 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.51 1a3g n PRO 155 Cb 0.43 -1.54 0.07 0.00 -0.02 0.00 0.00 33.50 32.44 1a3g n PRO 155 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1a3g n THR 156 N 4.40 0.41 1.30 3.45 -2.24 -1.26 -3.68 114.28 116.66 1a3g n THR 156 Ca 0.34 -0.38 0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1a3g n THR 156 Cb -0.05 -0.14 0.10 0.00 -2.10 0.00 0.00 70.33 68.15 1a3g n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a3g n ALA 157 N -1.97 2.17 -2.70 6.98 0.00 -1.26 -4.44 120.51 119.28 1a3g n ALA 157 Ca 0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1a3g n ALA 157 Cb 0.48 -1.05 -0.16 0.00 0.00 0.00 0.00 19.45 18.72 1a3g n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a3g s ALA 158 N -2.00 1.98 -1.23 0.00 0.00 -1.24 -4.82 121.76 114.45 1a3g s ALA 158 Ca 0.05 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 1a3g s ALA 158 Cb 0.02 -0.60 0.20 0.00 0.00 0.00 0.00 23.12 22.74 1a3g s ALA 158 CO 0.04 0.40 1.73 1.17 0.00 0.00 0.00 175.76 179.10 1a3g n LYS 159 N 2.91 3.74 -2.82 0.00 4.81 -1.26 -4.94 118.16 120.60 1a3g n LYS 159 Ca -0.17 -3.78 -0.26 0.00 -0.87 0.00 0.00 58.31 53.23 1a3g n LYS 159 Cb 0.52 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.72 1a3g n LYS 159 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a3g s ALA 160 N -0.08 3.51 -0.48 3.14 0.00 -1.26 -2.39 121.76 124.20 1a3g s ALA 160 Ca 0.38 -0.71 0.24 0.00 0.00 0.00 0.00 51.96 51.87 1a3g s ALA 160 Cb 0.07 -2.41 0.30 0.00 0.00 0.00 0.00 23.12 21.07 1a3g s ALA 160 CO 0.02 -0.35 1.36 0.78 0.00 0.00 0.00 175.76 177.57 1a3g h GLY 161 N 0.31 0.00 2.00 0.00 0.00 -1.01 -3.23 103.07 101.13 1a3g h GLY 161 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1a3g h GLY 161 CO 0.61 0.00 -0.16 -1.33 0.00 0.00 0.00 176.54 175.66 1a3g h GLY 162 N 4.23 0.00 0.48 4.60 0.00 -1.72 -2.87 103.07 107.79 1a3g h GLY 162 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 1a3g h GLY 162 CO 0.00 0.00 0.47 3.43 0.00 0.00 0.00 176.54 180.44 1a3g h ASN 163 N 0.00 0.66 0.00 0.19 2.35 -1.88 -3.11 115.58 113.79 1a3g h ASN 163 Ca -0.00 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1a3g h ASN 163 Cb 0.33 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1a3g h ASN 163 CO 0.02 0.36 0.00 -1.22 -1.65 0.00 0.00 177.43 174.95 1a3g n TYR 164 N -4.76 0.00 0.08 1.19 4.02 -1.09 -0.28 117.16 116.33 1a3g n TYR 164 Ca 0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.91 1a3g n TYR 164 Cb 0.30 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.56 1a3g n TYR 164 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1a3g h LEU 165 N 0.00 0.39 0.51 7.72 3.38 -1.79 0.84 115.31 126.37 1a3g h LEU 165 Ca 0.00 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1a3g h LEU 165 Cb 0.00 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.63 1a3g h LEU 165 CO 0.00 1.18 -0.25 -1.28 0.09 0.00 0.00 178.44 178.19 1a3g h SER 166 N 0.14 -0.59 -0.98 -0.43 0.87 -0.92 -0.10 113.55 111.55 1a3g h SER 166 Ca -0.08 -0.03 0.12 0.00 -1.23 0.00 0.00 61.79 60.57 1a3g h SER 166 Cb 1.67 0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 63.70 1a3g h SER 166 CO 0.16 -0.33 0.61 0.28 -0.53 0.00 0.00 176.83 177.02 1a3g h SER 167 N -0.82 0.88 -0.64 6.23 0.02 -1.67 0.12 113.55 117.67 1a3g h SER 167 Ca -0.07 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1a3g h SER 167 Cb 0.58 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 1a3g h SER 167 CO 0.12 0.46 0.37 0.25 -1.14 0.00 0.00 176.83 176.88 1a3g h LEU 168 N 0.94 0.58 -0.27 5.07 7.12 -0.31 -1.55 115.31 126.89 1a3g h LEU 168 Ca 0.49 0.02 -0.20 0.00 0.13 0.00 0.00 57.88 58.31 1a3g h LEU 168 Cb 0.51 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1a3g h LEU 168 CO -0.28 0.39 -0.73 -0.07 -0.13 0.00 0.00 178.44 177.63 1a3g h LEU 169 N 0.71 0.79 0.44 2.25 3.38 0.11 -2.76 115.31 120.23 1a3g h LEU 169 Ca 0.27 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1a3g h LEU 169 Cb 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1a3g h LEU 169 CO -0.14 1.28 -0.21 0.58 0.09 0.00 0.00 178.44 180.04 1a3g h VAL 170 N 0.47 0.40 -0.92 1.22 2.07 -1.24 -2.99 116.25 115.25 1a3g h VAL 170 Ca -0.04 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 67.04 1a3g h VAL 170 Cb 1.34 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.62 1a3g h VAL 170 CO 0.14 0.07 0.56 1.23 0.02 0.00 0.00 177.57 179.60 1a3g h GLY 171 N -0.97 1.46 2.00 2.17 0.00 -1.36 -1.37 103.07 104.99 1a3g h GLY 171 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1a3g h GLY 171 CO 0.10 0.17 0.00 1.48 0.00 0.00 0.00 176.54 178.29 1a3g h SER 172 N 0.93 0.00 -0.34 0.19 4.64 -1.58 -2.24 113.55 115.15 1a3g h SER 172 Ca 0.44 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.64 1a3g h SER 172 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1a3g h SER 172 CO -0.24 0.00 -0.25 -0.08 -0.87 0.00 0.00 176.83 175.38 1a3g h GLU 173 N 0.00 0.77 0.31 4.77 4.81 -1.09 -2.31 114.58 121.84 1a3g h GLU 173 Ca 0.00 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1a3g h GLU 173 Cb 0.69 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1a3g h GLU 173 CO 0.00 1.00 -0.15 0.00 -0.73 0.00 0.00 179.01 179.13 1a3g h ALA 174 N 0.76 -0.97 -0.89 2.92 0.00 -1.40 -2.76 119.26 116.92 1a3g h ALA 174 Ca 0.06 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.12 1a3g h ALA 174 Cb 0.82 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.61 1a3g h ALA 174 CO 0.07 -0.94 0.07 0.00 0.00 0.00 0.00 179.25 178.44 1a3g h ARG 175 N -0.47 0.08 0.00 0.00 3.08 -1.49 0.45 114.38 116.04 1a3g h ARG 175 Ca -0.04 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1a3g h ARG 175 Cb 0.32 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1a3g h ARG 175 CO 0.07 0.05 -0.05 -0.09 -1.07 0.00 0.00 179.97 178.88 1a3g h ARG 176 N 0.08 0.00 -0.02 0.04 2.43 -1.35 -2.23 114.38 113.32 1a3g h ARG 176 Ca 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1a3g h ARG 176 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1a3g h ARG 176 CO -0.79 0.05 -0.21 0.72 -1.51 0.00 0.00 179.97 178.24 1a3g n HIS 177 N -3.94 0.00 0.00 2.20 8.25 0.15 -4.95 115.22 116.93 1a3g n HIS 177 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1a3g n HIS 177 Cb 0.14 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1a3g n HIS 177 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a3g n GLY 178 N 1.38 2.23 0.15 -1.41 0.00 -0.84 -5.06 105.19 101.64 1a3g n GLY 178 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1a3g n GLY 178 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a3g n TYR 179 N -0.82 -3.95 -0.38 1.61 4.02 -0.98 -4.92 117.16 111.74 1a3g n TYR 179 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1a3g n TYR 179 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 1a3g n TYR 179 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1a3g n GLN 180 N -1.14 0.82 -3.64 -0.72 6.02 -1.05 -3.92 117.38 113.75 1a3g n GLN 180 Ca 0.01 -0.11 -0.15 0.00 -0.01 0.00 0.00 57.00 56.73 1a3g n GLN 180 Cb 0.02 -0.49 -0.08 0.00 1.02 0.00 0.00 30.24 30.72 1a3g n GLN 180 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1a3g s GLU 181 N -0.15 0.81 -0.14 -1.09 2.56 -1.25 -4.95 118.70 114.48 1a3g s GLU 181 Ca 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 54.97 55.55 1a3g s GLU 181 Cb 0.00 0.39 -0.02 0.00 2.00 0.00 0.00 34.13 36.50 1a3g s GLU 181 CO 0.00 -0.16 -0.10 0.20 -0.56 0.00 0.00 175.26 174.64 1a3g s GLY 182 N -0.25 1.60 -0.13 -1.50 0.00 -1.26 -1.34 107.32 104.43 1a3g s GLY 182 Ca -0.04 -0.88 -0.09 0.00 0.00 0.00 0.00 44.72 43.71 1a3g s GLY 182 CO 0.04 -0.13 0.17 -0.42 0.00 0.00 0.00 173.10 172.76 1a3g s ILE 183 N 0.40 5.43 0.05 0.90 1.01 0.19 -1.05 121.20 128.14 1a3g s ILE 183 Ca -0.08 0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.90 1a3g s ILE 183 Cb -0.15 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1a3g s ILE 183 CO 0.04 0.57 -0.07 0.00 0.00 0.00 0.00 174.94 175.48 1a3g s ALA 184 N -0.69 3.03 0.32 9.38 0.00 0.33 -0.53 121.76 133.60 1a3g s ALA 184 Ca 0.15 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.03 1a3g s ALA 184 Cb -0.12 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1a3g s ALA 184 CO 0.04 0.64 0.49 -0.51 0.00 0.00 0.00 175.76 176.41 1a3g s LEU 185 N -1.80 4.08 0.00 0.00 1.43 -1.26 -0.37 118.68 120.76 1a3g s LEU 185 Ca 0.20 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1a3g s LEU 185 Cb -0.11 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1a3g s LEU 185 CO 0.11 -0.28 0.00 -0.90 0.23 0.00 0.00 176.35 175.52 1a3g n ASP 186 N -1.67 0.00 0.25 2.29 5.68 0.12 -1.93 116.55 121.29 1a3g n ASP 186 Ca -0.05 -0.85 0.15 0.00 -0.50 0.00 0.00 54.79 53.53 1a3g n ASP 186 Cb 0.57 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.08 1a3g n ASP 186 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1a3g h VAL 187 N -0.56 0.13 0.00 2.12 -1.51 -1.86 -2.86 116.25 111.71 1a3g h VAL 187 Ca 0.00 -0.77 -0.04 0.00 -1.23 0.00 0.00 66.70 64.66 1a3g h VAL 187 Cb 0.00 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 1a3g h VAL 187 CO 0.00 0.06 -0.19 0.78 -1.23 0.00 0.00 177.57 176.99 1a3g h ASN 188 N 0.00 0.00 0.00 4.19 2.35 -1.95 -3.48 115.58 116.69 1a3g h ASN 188 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a3g h ASN 188 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1a3g h ASN 188 CO 0.01 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 176.58 1a3g n GLY 189 N 0.77 0.63 3.94 2.83 0.00 -1.08 -5.09 105.19 107.20 1a3g n GLY 189 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1a3g n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a3g s TYR 190 N -2.06 2.74 0.27 1.61 2.02 -1.26 -4.33 117.35 116.35 1a3g s TYR 190 Ca 0.00 0.27 -0.29 0.00 -0.37 0.00 0.00 57.07 56.68 1a3g s TYR 190 Cb 0.00 -3.12 -0.09 0.00 -0.40 0.00 0.00 41.96 38.35 1a3g s TYR 190 CO 0.00 -1.36 0.98 0.42 -1.57 0.00 0.00 175.55 174.02 1a3g s ILE 191 N -3.15 3.96 -0.01 2.71 1.01 -0.02 0.11 121.20 125.82 1a3g s ILE 191 Ca 0.61 1.88 -0.01 0.00 0.00 0.00 0.00 60.65 63.13 1a3g s ILE 191 Cb -0.10 -4.16 -0.00 0.00 0.01 0.00 0.00 42.46 38.21 1a3g s ILE 191 CO 0.43 0.38 -0.02 -0.24 0.00 0.00 0.00 174.94 175.49 1a3g n SER 192 N 1.16 0.11 0.00 3.58 2.88 0.51 -4.60 113.62 117.26 1a3g n SER 192 Ca -0.01 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1a3g n SER 192 Cb 0.47 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1a3g n SER 192 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1a3g n GLU 193 N -2.61 -2.93 -2.55 -1.46 0.28 -1.14 -4.62 120.64 105.61 1a3g n GLU 193 Ca -0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.76 1a3g n GLU 193 Cb 0.02 0.00 0.09 0.00 1.43 0.00 0.00 31.44 32.98 1a3g n GLU 193 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1a3g s GLY 194 N 0.00 1.77 0.19 -1.84 0.00 0.29 -0.51 107.32 107.22 1a3g s GLY 194 Ca 0.00 -1.52 -0.09 0.00 0.00 0.00 0.00 44.72 43.11 1a3g s GLY 194 CO 0.00 -1.05 1.12 0.00 0.00 0.00 0.00 173.10 173.18 1a3g n ALA 195 N -2.73 0.06 -0.55 3.20 0.00 -0.21 -2.86 120.51 117.43 1a3g n ALA 195 Ca 0.12 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1a3g n ALA 195 Cb 0.60 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1a3g n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3g n GLY 196 N -1.41 0.03 3.16 0.00 0.00 -1.26 -4.46 105.19 101.25 1a3g n GLY 196 Ca 0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1a3g n GLY 196 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a3g s GLU 197 N -0.52 0.63 0.78 1.61 1.03 -1.13 -4.91 118.70 116.17 1a3g s GLU 197 Ca 0.01 -0.56 -0.11 0.00 0.03 0.00 0.00 54.97 54.33 1a3g s GLU 197 Cb 0.00 0.26 0.06 0.00 -0.80 0.00 0.00 34.13 33.66 1a3g s GLU 197 CO 0.00 -0.17 1.11 -0.80 -1.33 0.00 0.00 175.26 174.07 1a3g s ASN 198 N -1.87 4.33 -0.09 0.83 0.01 -0.85 -0.55 114.94 116.75 1a3g s ASN 198 Ca -0.08 1.94 0.02 0.00 -0.71 0.00 0.00 52.86 54.03 1a3g s ASN 198 Cb -0.03 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.11 1a3g s ASN 198 CO -0.02 -2.16 -0.13 -0.22 -1.51 0.00 0.00 177.10 173.06 1a3g s LEU 199 N -5.83 1.64 0.12 0.60 1.98 -1.26 -1.57 118.68 114.35 1a3g s LEU 199 Ca 0.64 -0.35 0.10 0.00 -2.89 0.00 0.00 54.13 51.62 1a3g s LEU 199 Cb -0.19 -0.93 -0.04 0.00 0.66 0.00 0.00 46.19 45.68 1a3g s LEU 199 CO 0.53 0.02 -0.21 -0.36 -1.89 0.00 0.00 176.35 174.44 1a3g s PHE 200 N 0.86 2.46 0.15 5.38 0.40 0.95 -4.29 117.98 123.90 1a3g s PHE 200 Ca -0.10 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.00 1a3g s PHE 200 Cb -0.15 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 1a3g s PHE 200 CO 0.01 0.36 -0.16 -1.21 0.70 0.00 0.00 175.22 174.92 1a3g s GLU 201 N -2.06 1.19 -0.05 0.44 2.02 0.29 -1.59 118.70 118.93 1a3g s GLU 201 Ca 0.16 -1.37 0.03 0.00 0.02 0.00 0.00 54.97 53.82 1a3g s GLU 201 Cb -0.10 -1.14 0.00 0.00 0.10 0.00 0.00 34.13 32.99 1a3g s GLU 201 CO 0.08 0.22 -0.15 0.08 0.02 0.00 0.00 175.26 175.52 1a3g s VAL 202 N -2.20 1.27 0.00 2.63 1.01 0.41 -4.19 120.40 119.34 1a3g s VAL 202 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1a3g s VAL 202 Cb -0.05 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1a3g s VAL 202 CO 0.05 0.38 0.00 1.17 0.00 0.00 0.00 175.10 176.70 1a3g n LYS 203 N 3.47 0.00 -3.50 2.72 0.00 -0.76 0.47 118.16 120.55 1a3g n LYS 203 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 57.84 1a3g n LYS 203 Cb 0.53 -0.03 -0.09 0.00 0.00 0.00 0.00 35.03 35.44 1a3g n LYS 203 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1a3g n ASP 204 N -1.70 3.13 -1.43 3.14 8.00 -1.26 -4.63 116.55 121.79 1a3g n ASP 204 Ca 0.00 -3.29 -0.19 0.00 0.71 0.00 0.00 54.79 52.02 1a3g n ASP 204 Cb 0.00 -0.68 -0.08 0.00 -0.02 0.00 0.00 41.12 40.34 1a3g n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3g n GLY 205 N 1.20 1.78 3.59 0.44 0.00 -1.26 -4.96 105.19 105.99 1a3g n GLY 205 Ca 0.27 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1a3g n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3g s VAL 206 N -2.69 3.71 0.00 1.61 1.01 -1.26 -4.47 120.40 118.31 1a3g s VAL 206 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1a3g s VAL 206 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1a3g s VAL 206 CO 0.00 0.57 0.35 -0.11 0.00 0.00 0.00 175.10 175.90 1a3g n LEU 207 N 2.11 0.95 -1.09 3.92 0.00 -0.22 -1.83 117.00 120.84 1a3g n LEU 207 Ca -0.17 0.35 0.00 0.00 0.00 0.00 0.00 56.01 56.19 1a3g n LEU 207 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.93 1a3g n LEU 207 CO 0.28 -0.02 -0.05 0.49 0.00 0.00 0.00 177.39 178.09 1a3g n PHE 208 N -0.56 -0.45 -3.66 1.96 3.72 -1.12 -3.64 117.46 113.71 1a3g n PHE 208 Ca 0.00 0.27 -0.14 0.00 -0.05 0.00 0.00 57.45 57.53 1a3g n PHE 208 Cb 0.00 -2.17 -0.07 0.00 -0.94 0.00 0.00 39.48 36.30 1a3g n PHE 208 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1a3g s THR 209 N -0.05 0.04 0.46 4.37 -4.23 -0.72 -0.54 115.64 114.97 1a3g s THR 209 Ca 0.00 -0.35 -0.24 0.00 -1.18 0.00 0.00 61.69 59.91 1a3g s THR 209 Cb 0.00 -0.85 -0.07 0.00 1.34 0.00 0.00 72.50 72.91 1a3g s THR 209 CO 0.00 -0.19 1.36 -2.84 -0.54 0.00 0.00 174.62 172.41 1a3g s PRO 210 N -1.82 3.63 0.55 3.99 0.02 -1.26 -1.75 135.00 138.36 1a3g s PRO 210 Ca -0.09 2.27 -0.07 0.00 0.02 0.00 0.00 61.00 63.13 1a3g s PRO 210 Cb -0.02 -2.57 0.12 0.00 0.02 0.00 0.00 34.50 32.05 1a3g s PRO 210 CO 0.03 -0.81 0.74 -0.35 -0.33 0.00 0.00 177.00 176.28 1a3g n PRO 211 N -0.33 -0.48 0.04 5.54 -0.04 -1.26 -4.76 135.00 133.69 1a3g n PRO 211 Ca 0.06 -1.38 -0.02 0.00 -0.04 0.00 0.00 63.50 62.13 1a3g n PRO 211 Cb 0.43 -0.70 0.25 0.00 -0.04 0.00 0.00 33.50 33.45 1a3g n PRO 211 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1a3g h PHE 212 N -1.17 0.47 0.00 0.54 0.04 -1.95 -1.70 116.94 113.16 1a3g h PHE 212 Ca -0.24 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.44 1a3g h PHE 212 Cb 0.73 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1a3g h PHE 212 CO 0.00 0.61 0.00 0.25 -0.60 0.00 0.00 178.31 178.57 1a3g n THR 213 N -4.16 0.64 -0.14 -1.55 -2.24 -1.26 0.13 114.28 105.69 1a3g n THR 213 Ca -0.00 0.16 0.07 0.00 -2.27 0.00 0.00 64.05 62.01 1a3g n THR 213 Cb 0.36 -1.06 0.28 0.00 -2.10 0.00 0.00 70.33 67.82 1a3g n THR 213 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1a3g n SER 214 N -1.20 3.87 -2.61 3.42 7.64 -0.64 -4.89 113.62 119.21 1a3g n SER 214 Ca 0.04 -2.37 -0.13 0.00 1.01 0.00 0.00 58.87 57.42 1a3g n SER 214 Cb 0.04 -0.52 0.06 0.00 -1.01 0.00 0.00 64.21 62.78 1a3g n SER 214 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a3g n SER 215 N 0.81 -2.76 -4.44 6.43 7.64 0.34 -4.38 113.62 117.26 1a3g n SER 215 Ca 0.20 -0.40 -0.33 0.00 1.01 0.00 0.00 58.87 59.35 1a3g n SER 215 Cb 0.74 -3.58 -0.13 0.00 -1.01 0.00 0.00 64.21 60.23 1a3g n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a3g s ALA 216 N -3.23 2.80 0.27 -0.43 0.00 -0.96 -4.84 121.76 115.37 1a3g s ALA 216 Ca 0.10 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 1a3g s ALA 216 Cb -0.04 -1.35 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 1a3g s ALA 216 CO 0.49 0.27 1.16 -1.17 0.00 0.00 0.00 175.76 176.51 1a3g s LEU 217 N 0.24 4.50 -0.94 0.00 0.20 -1.26 -4.52 118.68 116.90 1a3g s LEU 217 Ca -0.06 2.34 -0.23 0.00 0.69 0.00 0.00 54.13 56.87 1a3g s LEU 217 Cb -0.15 -3.63 -0.14 0.00 -0.43 0.00 0.00 46.19 41.84 1a3g s LEU 217 CO 0.04 -0.27 1.92 -2.65 -0.29 0.00 0.00 176.35 175.10 1a3g n PRO 218 N 1.45 1.38 -1.61 0.98 -0.02 -1.26 -4.92 135.00 130.99 1a3g n PRO 218 Ca 0.00 -2.09 -0.38 0.00 -2.02 0.00 0.00 63.50 59.01 1a3g n PRO 218 Cb 0.44 -3.34 0.05 0.00 -0.02 0.00 0.00 33.50 30.63 1a3g n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a3g n GLY 219 N 5.25 -0.30 0.09 -1.23 0.00 -1.26 -4.95 105.19 102.79 1a3g n GLY 219 Ca 0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.35 1a3g n GLY 219 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a3g h ILE 220 N 0.66 1.00 0.27 -0.61 2.04 -1.98 -2.96 117.51 115.93 1a3g h ILE 220 Ca -0.48 -2.64 -0.01 0.00 1.00 0.00 0.00 64.86 62.73 1a3g h ILE 220 Cb 1.36 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 1a3g h ILE 220 CO 0.52 0.57 -0.13 0.74 0.00 0.00 0.00 178.15 179.84 1a3g h THR 221 N 0.00 0.63 -1.00 -0.27 2.02 -1.92 -0.84 112.91 111.53 1a3g h THR 221 Ca -0.13 -0.84 0.24 0.00 0.77 0.00 0.00 66.41 66.44 1a3g h THR 221 Cb 1.74 1.00 -0.19 0.00 -1.74 0.00 0.00 68.15 68.96 1a3g h THR 221 CO 0.08 0.14 -0.11 -1.14 0.37 0.00 0.00 175.52 174.86 1a3g n ARG 222 N -5.04 -0.08 -0.03 6.66 0.63 -1.26 0.12 116.66 117.66 1a3g n ARG 222 Ca -0.08 1.52 -0.12 0.00 -0.92 0.00 0.00 57.85 58.25 1a3g n ARG 222 Cb 0.26 -2.35 -0.08 0.00 0.45 0.00 0.00 32.46 30.75 1a3g n ARG 222 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1a3g h ASP 223 N 0.00 0.15 -0.14 6.15 3.58 -1.45 -0.91 116.42 123.81 1a3g h ASP 223 Ca 0.54 -0.34 0.04 0.00 0.42 0.00 0.00 57.03 57.68 1a3g h ASP 223 Cb 0.99 -0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.93 1a3g h ASP 223 CO -0.98 0.46 -0.50 0.00 -2.88 0.00 0.00 179.24 175.34 1a3g h ALA 224 N 0.70 -0.79 -0.64 -0.78 0.00 0.24 -0.03 119.26 117.95 1a3g h ALA 224 Ca 0.02 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1a3g h ALA 224 Cb 0.39 0.94 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1a3g h ALA 224 CO 0.01 -1.04 0.04 0.82 0.00 0.00 0.00 179.25 179.07 1a3g h ILE 225 N -0.56 0.50 -0.02 0.00 2.04 0.03 0.12 117.51 119.62 1a3g h ILE 225 Ca 0.05 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1a3g h ILE 225 Cb 0.67 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1a3g h ILE 225 CO -0.43 0.03 -0.12 0.40 0.00 0.00 0.00 178.15 178.03 1a3g h ILE 226 N 0.15 0.70 -0.94 -0.67 2.04 -0.40 -1.01 117.51 117.38 1a3g h ILE 226 Ca 0.34 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.32 1a3g h ILE 226 Cb 0.55 0.70 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 1a3g h ILE 226 CO -0.52 0.00 0.60 0.11 0.00 0.00 0.00 178.15 178.34 1a3g h LYS 227 N -0.19 0.84 0.47 2.37 6.56 0.11 -1.47 116.57 125.26 1a3g h LYS 227 Ca 0.05 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1a3g h LYS 227 Cb 0.25 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 1a3g h LYS 227 CO -0.13 0.56 -0.23 -0.07 -2.06 0.00 0.00 179.45 177.51 1a3g h LEU 228 N 0.87 -0.54 -1.19 2.94 3.38 -0.45 -2.46 115.31 117.86 1a3g h LEU 228 Ca 0.46 0.02 0.40 0.00 0.09 0.00 0.00 57.88 58.85 1a3g h LEU 228 Cb 0.55 0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.29 1a3g h LEU 228 CO -0.22 -0.29 0.69 0.00 0.09 0.00 0.00 178.44 178.71 1a3g h ALA 229 N -1.52 2.38 -0.61 1.53 0.00 -1.06 1.69 119.26 121.67 1a3g h ALA 229 Ca -0.06 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1a3g h ALA 229 Cb 0.49 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1a3g h ALA 229 CO 0.11 -1.05 0.03 0.87 0.00 0.00 0.00 179.25 179.21 1a3g h LYS 230 N 0.12 1.05 -0.62 0.00 1.57 -0.97 -0.38 116.57 117.36 1a3g h LYS 230 Ca 0.80 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 59.25 1a3g h LYS 230 Cb 2.25 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 34.43 1a3g h LYS 230 CO -0.56 1.01 0.32 0.93 -0.57 0.00 0.00 179.45 180.59 1a3g h GLU 231 N 0.95 0.87 0.00 3.15 4.39 0.28 -0.48 114.58 123.76 1a3g h GLU 231 Ca 0.18 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1a3g h GLU 231 Cb 0.52 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1a3g h GLU 231 CO 0.02 0.68 0.00 1.28 -1.16 0.00 0.00 179.01 179.84 1a3g n LEU 232 N -4.54 0.00 -0.46 1.33 4.77 0.24 -4.82 117.00 113.52 1a3g n LEU 232 Ca 0.04 0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 56.17 1a3g n LEU 232 Cb 0.10 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1a3g n LEU 232 CO 0.37 -0.13 -0.05 0.61 -1.33 0.00 0.00 177.39 176.86 1a3g n GLY 233 N -0.41 0.32 3.88 -0.72 0.00 -0.19 -5.05 105.19 103.02 1a3g n GLY 233 Ca 0.06 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 1a3g n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a3g s ILE 234 N -2.21 4.93 0.14 -0.61 1.01 -0.21 -5.02 121.20 119.22 1a3g s ILE 234 Ca 0.00 0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.99 1a3g s ILE 234 Cb 0.00 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 1a3g s ILE 234 CO 0.00 -0.13 0.45 -0.70 0.00 0.00 0.00 174.94 174.56 1a3g s GLU 235 N -2.98 3.77 0.01 2.79 2.12 -1.26 -4.46 118.70 118.69 1a3g s GLU 235 Ca 0.47 0.19 0.08 0.00 0.36 0.00 0.00 54.97 56.08 1a3g s GLU 235 Cb -0.11 -2.88 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 1a3g s GLU 235 CO 0.23 0.48 -0.26 0.08 -0.54 0.00 0.00 175.26 175.24 1a3g s VAL 236 N -1.55 2.06 -0.21 3.70 1.01 -1.26 -1.06 120.40 123.09 1a3g s VAL 236 Ca 0.39 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1a3g s VAL 236 Cb -0.13 -1.73 0.06 0.00 0.00 0.00 0.00 36.38 34.57 1a3g s VAL 236 CO 0.20 0.49 -0.03 -0.13 0.00 0.00 0.00 175.10 175.63 1a3g s ARG 237 N -0.85 1.32 -0.59 2.72 0.52 -1.26 -4.83 118.95 115.99 1a3g s ARG 237 Ca 0.11 -0.72 -0.24 0.00 -0.52 0.00 0.00 55.73 54.35 1a3g s ARG 237 Cb -0.10 -2.32 0.04 0.00 0.52 0.00 0.00 34.95 33.10 1a3g s ARG 237 CO 0.00 -0.57 0.99 -1.21 0.02 0.00 0.00 175.30 174.54 1a3g s GLU 238 N 1.58 3.30 0.08 3.54 2.02 -1.26 -1.75 118.70 126.21 1a3g s GLU 238 Ca -0.03 -0.32 -0.13 0.00 0.02 0.00 0.00 54.97 54.52 1a3g s GLU 238 Cb -0.17 -4.09 0.02 0.00 0.10 0.00 0.00 34.13 29.98 1a3g s GLU 238 CO -0.07 -1.61 0.29 1.14 0.02 0.00 0.00 175.26 175.03 1a3g s GLN 239 N 4.19 0.89 0.49 1.61 -2.07 -0.72 -4.77 119.66 119.29 1a3g s GLN 239 Ca 0.30 -0.72 -0.23 0.00 -1.82 0.00 0.00 55.36 52.89 1a3g s GLN 239 Cb -0.13 0.38 -0.06 0.00 -1.09 0.00 0.00 33.01 32.11 1a3g s GLN 239 CO 0.18 -0.30 1.32 0.08 -1.32 0.00 0.00 175.29 175.25 1a3g s VAL 240 N -3.35 2.35 0.06 3.63 1.01 -1.26 -4.07 120.40 118.78 1a3g s VAL 240 Ca 0.01 0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1a3g s VAL 240 Cb 0.02 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1a3g s VAL 240 CO -0.08 0.01 -0.19 -0.76 0.00 0.00 0.00 175.10 174.08 1a3g s LEU 241 N -3.12 2.22 0.25 3.92 1.43 -1.26 -5.02 118.68 117.10 1a3g s LEU 241 Ca 0.66 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1a3g s LEU 241 Cb -0.38 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1a3g s LEU 241 CO 0.47 0.08 0.42 -0.94 0.23 0.00 0.00 176.35 176.61 1a3g s SER 242 N -1.46 6.34 0.11 2.29 1.04 -1.26 -0.84 113.70 119.91 1a3g s SER 242 Ca 0.05 0.30 -0.32 0.00 0.48 0.00 0.00 55.95 56.46 1a3g s SER 242 Cb -0.09 -1.97 -0.12 0.00 0.10 0.00 0.00 66.02 63.94 1a3g s SER 242 CO 0.03 -0.12 1.58 -0.09 0.98 0.00 0.00 173.24 175.62 1a3g h ARG 243 N 1.41 -0.69 -0.17 4.02 2.43 -1.91 0.17 114.38 119.65 1a3g h ARG 243 Ca -0.50 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 58.77 1a3g h ARG 243 Cb 1.21 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1a3g h ARG 243 CO 0.64 -0.46 0.34 0.93 -1.51 0.00 0.00 179.97 179.91 1a3g h GLU 244 N -0.72 0.00 0.00 0.20 3.07 -1.95 0.90 114.58 116.08 1a3g h GLU 244 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1a3g h GLU 244 Cb 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1a3g h GLU 244 CO -0.24 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.03 1a3g h SER 245 N 0.00 0.00 0.00 1.42 4.64 -1.05 -0.85 113.55 117.72 1a3g h SER 245 Ca 0.08 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 1a3g h SER 245 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1a3g h SER 245 CO -0.00 0.00 -0.31 -0.07 -0.87 0.00 0.00 176.83 175.58 1a3g h LEU 246 N 0.00 0.46 -1.05 5.97 3.38 -0.92 -2.05 115.31 121.09 1a3g h LEU 246 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1a3g h LEU 246 Cb 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1a3g h LEU 246 CO 0.00 0.75 0.00 -1.22 0.09 0.00 0.00 178.44 178.06 1a3g n TYR 247 N -4.09 0.32 0.00 1.13 4.01 -0.33 -3.89 117.16 114.32 1a3g n TYR 247 Ca -0.01 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1a3g n TYR 247 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1a3g n TYR 247 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1a3g n LEU 248 N 0.30 0.00 -4.71 7.72 4.77 -0.94 -4.92 117.00 119.22 1a3g n LEU 248 Ca 0.12 -0.35 -0.29 0.00 -0.03 0.00 0.00 56.01 55.46 1a3g n LEU 248 Cb 0.27 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.51 1a3g n LEU 248 CO 0.09 0.00 0.66 0.00 -1.33 0.00 0.00 177.39 176.81 1a3g s ALA 249 N -0.81 1.34 -0.07 -1.18 0.00 -0.81 -4.98 121.76 115.24 1a3g s ALA 249 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 1a3g s ALA 249 Cb 0.00 -3.16 -0.27 0.00 0.00 0.00 0.00 23.12 19.70 1a3g s ALA 249 CO 0.00 -2.53 0.57 -0.44 0.00 0.00 0.00 175.76 173.37 1a3g h ASP 250 N -1.67 0.39 -4.20 0.00 3.32 -0.25 -3.37 116.42 110.64 1a3g h ASP 250 Ca -0.51 -0.72 -0.23 0.00 0.02 0.00 0.00 57.03 55.58 1a3g h ASP 250 Cb 1.30 -0.13 -0.25 0.00 0.22 0.00 0.00 39.33 40.47 1a3g h ASP 250 CO 0.56 1.63 -0.72 -1.61 -1.72 0.00 0.00 179.24 177.38 1a3g s GLU 251 N -2.58 0.19 -0.01 3.56 2.02 -1.15 -4.23 118.70 116.51 1a3g s GLU 251 Ca -0.16 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.58 1a3g s GLU 251 Cb 0.07 -0.05 0.01 0.00 0.10 0.00 0.00 34.13 34.25 1a3g s GLU 251 CO 0.81 0.01 -0.04 0.54 0.02 0.00 0.00 175.26 176.60 1a3g s VAL 252 N -0.55 0.39 -0.05 2.63 0.11 -1.26 0.16 120.40 121.82 1a3g s VAL 252 Ca -0.05 -0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 58.70 1a3g s VAL 252 Cb -0.04 -0.36 0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1a3g s VAL 252 CO -0.00 0.14 0.32 0.72 -3.33 0.00 0.00 175.10 172.95 1a3g s PHE 253 N 0.22 -0.24 0.28 1.54 -0.12 -0.62 -0.84 117.98 118.19 1a3g s PHE 253 Ca -0.02 0.46 0.06 0.00 -0.05 0.00 0.00 56.93 57.38 1a3g s PHE 253 Cb -0.06 0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.42 1a3g s PHE 253 CO -0.00 -0.34 0.40 -1.64 -0.05 0.00 0.00 175.22 173.59 1a3g s MET 254 N -0.90 3.27 0.01 1.99 -1.94 -0.49 -0.03 119.30 121.20 1a3g s MET 254 Ca -0.10 -0.89 -0.12 0.00 -1.71 0.00 0.00 55.69 52.88 1a3g s MET 254 Cb -0.04 -2.84 0.01 0.00 2.01 0.00 0.00 34.83 33.97 1a3g s MET 254 CO 0.03 0.27 0.24 -1.54 -0.01 0.00 0.00 175.02 174.01 1a3g s SER 255 N -4.05 -0.08 -0.28 3.03 1.04 -0.61 -0.73 113.70 112.03 1a3g s SER 255 Ca 0.39 -0.12 -0.37 0.00 0.48 0.00 0.00 55.95 56.32 1a3g s SER 255 Cb -0.09 0.28 0.16 0.00 0.10 0.00 0.00 66.02 66.47 1a3g s SER 255 CO 0.30 -0.47 1.36 -0.83 0.98 0.00 0.00 173.24 174.58 1a3g s GLY 256 N -1.58 -0.18 0.28 7.32 0.00 -0.89 -2.01 107.32 110.25 1a3g s GLY 256 Ca -0.11 1.97 0.01 0.00 0.00 0.00 0.00 44.72 46.59 1a3g s GLY 256 CO 0.01 0.67 1.68 -0.84 0.00 0.00 0.00 173.10 174.63 1a3g h THR 257 N 2.01 0.45 0.00 0.90 2.02 -1.91 0.24 112.91 116.61 1a3g h THR 257 Ca -0.03 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1a3g h THR 257 Cb 1.14 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1a3g h THR 257 CO 0.19 0.06 -0.49 0.00 0.37 0.00 0.00 175.52 175.65 1a3g n ALA 258 N -2.60 3.08 0.33 6.16 0.00 -1.26 -3.99 120.51 122.24 1a3g n ALA 258 Ca 0.20 -0.26 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1a3g n ALA 258 Cb 0.61 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.90 1a3g n ALA 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a3g n ALA 259 N -1.66 2.47 -0.30 0.00 0.00 -0.62 -5.03 120.51 115.37 1a3g n ALA 259 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1a3g n ALA 259 Cb 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1a3g n ALA 259 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a3g n GLU 260 N 0.46 0.00 -3.81 0.00 1.02 0.75 -3.15 120.64 115.92 1a3g n GLU 260 Ca 0.05 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.89 1a3g n GLU 260 Cb 0.21 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.50 1a3g n GLU 260 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1a3g s ILE 261 N 0.00 1.86 0.04 -3.67 1.01 -1.26 -2.09 121.20 117.09 1a3g s ILE 261 Ca 0.00 -2.84 -0.20 0.00 0.00 0.00 0.00 60.65 57.61 1a3g s ILE 261 Cb 0.00 -2.30 -0.06 0.00 0.01 0.00 0.00 42.46 40.11 1a3g s ILE 261 CO 0.00 -0.85 0.58 -0.89 0.00 0.00 0.00 174.94 173.78 1a3g s THR 262 N 0.12 4.80 0.03 2.92 2.01 0.10 -4.90 115.64 120.72 1a3g s THR 262 Ca 0.17 1.24 -0.17 0.00 0.31 0.00 0.00 61.69 63.24 1a3g s THR 262 Cb -0.25 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 1a3g s THR 262 CO 0.00 0.50 0.47 -2.84 -0.69 0.00 0.00 174.62 172.06 1a3g s PRO 263 N -0.72 4.04 -0.03 4.92 0.02 -1.26 -1.40 135.00 140.56 1a3g s PRO 263 Ca 0.30 0.54 0.03 0.00 0.02 0.00 0.00 61.00 61.89 1a3g s PRO 263 Cb -0.19 -3.23 -0.03 0.00 0.02 0.00 0.00 34.50 31.07 1a3g s PRO 263 CO 0.18 0.66 -0.09 0.08 -0.33 0.00 0.00 177.00 177.51 1a3g s VAL 264 N -1.07 3.48 -0.02 3.83 1.01 -0.02 -0.76 120.40 126.86 1a3g s VAL 264 Ca 0.26 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1a3g s VAL 264 Cb -0.18 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1a3g s VAL 264 CO 0.16 0.52 0.02 -2.11 0.00 0.00 0.00 175.10 173.68 1a3g n ARG 265 N 1.99 4.59 -3.74 2.72 1.85 -1.26 -4.29 116.66 118.52 1a3g n ARG 265 Ca -0.17 -0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.55 1a3g n ARG 265 Cb 0.53 -0.69 -0.10 0.00 -1.05 0.00 0.00 32.46 31.15 1a3g n ARG 265 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1a3g s SER 266 N -1.38 -0.35 -0.07 2.89 1.04 -1.26 -0.95 113.70 113.61 1a3g s SER 266 Ca 0.00 0.58 0.02 0.00 0.48 0.00 0.00 55.95 57.03 1a3g s SER 266 Cb 0.00 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1a3g s SER 266 CO 0.02 -0.24 -0.12 -0.69 0.98 0.00 0.00 173.24 173.19 1a3g s VAL 267 N -0.27 1.16 -1.28 5.02 1.01 -0.05 -1.42 120.40 124.56 1a3g s VAL 267 Ca -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1a3g s VAL 267 Cb -0.03 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1a3g s VAL 267 CO 0.02 0.36 0.00 0.47 0.00 0.00 0.00 175.10 175.95 1a3g n ASP 268 N 3.92 -3.50 0.00 3.32 8.00 -0.90 -1.27 116.55 126.13 1a3g n ASP 268 Ca -0.22 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1a3g n ASP 268 Cb 0.52 -3.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.41 1a3g n ASP 268 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3g n GLY 269 N -0.38 0.47 2.96 0.44 0.00 -1.26 -5.02 105.19 102.39 1a3g n GLY 269 Ca -0.13 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 1a3g n GLY 269 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a3g s ILE 270 N -2.00 1.09 0.28 -0.61 1.01 -0.39 -5.09 121.20 115.49 1a3g s ILE 270 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 60.65 59.98 1a3g s ILE 270 Cb 0.00 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 41.31 1a3g s ILE 270 CO 0.00 0.37 1.37 -1.58 0.00 0.00 0.00 174.94 175.10 1a3g s GLN 271 N 1.27 4.31 -0.70 2.79 0.74 -1.26 -0.87 119.66 125.93 1a3g s GLN 271 Ca -0.03 2.25 -0.21 0.00 0.05 0.00 0.00 55.36 57.43 1a3g s GLN 271 Cb -0.14 -3.10 0.09 0.00 1.10 0.00 0.00 33.01 30.97 1a3g s GLN 271 CO -0.03 -0.31 0.94 0.08 -0.55 0.00 0.00 175.29 175.41 1a3g s VAL 272 N -0.51 4.53 -0.40 1.34 1.01 -0.13 -4.63 120.40 121.62 1a3g s VAL 272 Ca 0.54 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1a3g s VAL 272 Cb -0.41 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.32 1a3g s VAL 272 CO 0.48 -1.39 0.30 0.61 0.00 0.00 0.00 175.10 175.10 1a3g n GLY 273 N 5.34 -0.60 1.29 4.51 0.00 -1.26 -4.12 105.19 110.35 1a3g n GLY 273 Ca 0.01 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1a3g n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a3g n GLU 274 N -1.46 0.00 -0.56 1.61 1.02 -1.26 -4.64 120.64 115.35 1a3g n GLU 274 Ca -0.16 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1a3g n GLU 274 Cb 0.35 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1a3g n GLU 274 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a3g n GLY 275 N -0.75 0.00 1.07 0.62 0.00 -1.26 -3.52 105.19 101.35 1a3g n GLY 275 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a3g n GLY 275 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a3g n ARG 276 N -0.22 -3.06 0.00 1.61 0.00 -1.26 -4.69 116.66 109.04 1a3g n ARG 276 Ca 0.00 2.27 0.00 0.00 -0.00 0.00 0.00 57.85 60.12 1a3g n ARG 276 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 32.46 29.91 1a3g n ARG 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1a3g n GLY 278 N -0.05 -0.02 0.20 0.00 0.00 -1.26 -4.88 105.19 99.17 1a3g n GLY 278 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1a3g n GLY 278 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a3g h PRO 279 N 1.49 -0.30 -0.06 1.61 0.11 -1.99 0.19 132.00 133.06 1a3g h PRO 279 Ca -0.01 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 1a3g h PRO 279 Cb 0.03 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1a3g h PRO 279 CO 0.01 -0.20 -0.60 0.28 -0.21 0.00 0.00 178.00 177.27 1a3g h VAL 280 N -0.31 1.40 -0.12 3.15 2.07 -2.00 -1.83 116.25 118.61 1a3g h VAL 280 Ca 0.03 -2.00 0.03 0.00 0.82 0.00 0.00 66.70 65.58 1a3g h VAL 280 Cb 0.34 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1a3g h VAL 280 CO -0.10 0.59 -0.07 0.74 0.02 0.00 0.00 177.57 178.75 1a3g h THR 281 N 0.14 0.79 -0.68 2.57 2.02 -1.85 -1.68 112.91 114.23 1a3g h THR 281 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1a3g h THR 281 Cb 1.10 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1a3g h THR 281 CO 0.09 0.00 0.39 0.11 0.37 0.00 0.00 175.52 176.48 1a3g h LYS 282 N -0.06 0.95 -0.63 6.66 1.79 -0.53 -0.80 116.57 123.94 1a3g h LYS 282 Ca 0.07 -0.10 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1a3g h LYS 282 Cb 0.17 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 1a3g h LYS 282 CO -0.16 0.70 0.42 0.00 -1.08 0.00 0.00 179.45 179.33 1a3g h ARG 283 N 0.94 0.72 0.17 3.15 3.08 -0.55 -2.31 114.38 119.59 1a3g h ARG 283 Ca 0.24 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1a3g h ARG 283 Cb 0.02 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1a3g h ARG 283 CO -0.04 0.48 -0.08 0.82 -1.07 0.00 0.00 179.97 180.08 1a3g h ILE 284 N 0.75 0.95 -0.51 2.04 1.08 -0.39 -2.06 117.51 119.37 1a3g h ILE 284 Ca 0.25 -0.88 0.10 0.00 -0.39 0.00 0.00 64.86 63.95 1a3g h ILE 284 Cb 0.08 1.45 -0.09 0.00 -3.07 0.00 0.00 36.82 35.20 1a3g h ILE 284 CO -0.07 0.19 -0.03 1.56 -0.69 0.00 0.00 178.15 179.11 1a3g h GLN 285 N -0.68 0.08 -0.33 2.37 4.20 -1.11 0.48 115.11 120.13 1a3g h GLN 285 Ca -0.02 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.72 1a3g h GLN 285 Cb 0.49 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 1a3g h GLN 285 CO 0.04 0.06 0.10 1.96 -0.67 0.00 0.00 178.83 180.31 1a3g h GLN 286 N 0.09 0.22 -0.23 1.46 4.20 -1.35 0.43 115.11 119.93 1a3g h GLN 286 Ca 0.26 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 1a3g h GLN 286 Cb 0.39 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1a3g h GLN 286 CO -0.45 0.15 -0.11 0.00 -0.67 0.00 0.00 178.83 177.74 1a3g h ALA 287 N 1.22 1.39 0.34 3.87 0.00 -0.58 0.14 119.26 125.64 1a3g h ALA 287 Ca 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1a3g h ALA 287 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a3g h ALA 287 CO -0.17 0.42 -0.16 0.35 0.00 0.00 0.00 179.25 179.69 1a3g h PHE 288 N 0.35 -0.43 -0.03 0.00 3.57 0.41 -3.02 116.94 117.79 1a3g h PHE 288 Ca 0.07 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1a3g h PHE 288 Cb 0.42 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1a3g h PHE 288 CO 0.01 -0.27 0.03 0.74 -2.23 0.00 0.00 178.31 176.60 1a3g h PHE 289 N -0.47 0.00 0.00 0.41 0.04 -0.54 -1.82 116.94 114.57 1a3g h PHE 289 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1a3g h PHE 289 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1a3g h PHE 289 CO 0.15 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.27 1a3g n GLY 290 N -1.41 -0.51 0.09 -1.45 0.00 0.47 -0.61 105.19 101.77 1a3g n GLY 290 Ca -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 1a3g n GLY 290 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a3g h LEU 291 N 0.00 0.00 0.06 0.99 3.38 -1.39 0.85 115.31 119.20 1a3g h LEU 291 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1a3g h LEU 291 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1a3g h LEU 291 CO 0.00 0.84 -1.25 -0.26 0.09 0.00 0.00 178.44 177.87 1a3g h PHE 292 N 0.00 0.23 0.00 1.13 0.04 -1.05 -3.30 116.94 113.99 1a3g h PHE 292 Ca -0.01 -0.17 -0.20 0.00 2.80 0.00 0.00 57.97 60.40 1a3g h PHE 292 Cb 1.53 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.64 1a3g h PHE 292 CO 0.00 1.16 -0.94 1.15 -0.60 0.00 0.00 178.31 179.07 1a3g h THR 293 N 0.03 1.67 0.00 -1.55 2.02 -1.61 1.43 112.91 114.91 1a3g h THR 293 Ca -0.12 -3.24 0.00 0.00 0.77 0.00 0.00 66.41 63.82 1a3g h THR 293 Cb 1.90 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 71.06 1a3g h THR 293 CO 0.15 0.92 0.00 0.61 0.37 0.00 0.00 175.52 177.57 1a3g n GLY 294 N 1.20 2.18 0.23 2.16 0.00 -0.73 -4.60 105.19 105.62 1a3g n GLY 294 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1a3g n GLY 294 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a3g h GLU 295 N 1.38 0.74 -5.71 1.61 5.08 -1.59 -3.41 114.58 112.68 1a3g h GLU 295 Ca 0.00 -0.11 -0.58 0.00 -1.00 0.00 0.00 59.36 57.67 1a3g h GLU 295 Cb 0.00 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.03 1a3g h GLU 295 CO 0.00 0.61 -0.00 0.99 -1.00 0.00 0.00 179.01 179.61 1a3g s THR 296 N -5.73 5.10 0.09 1.13 2.01 0.28 -4.98 115.64 113.55 1a3g s THR 296 Ca -0.13 1.10 -0.31 0.00 0.31 0.00 0.00 61.69 62.66 1a3g s THR 296 Cb 0.12 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.66 1a3g s THR 296 CO 0.77 0.21 1.40 -0.70 -0.69 0.00 0.00 174.62 175.61 1a3g s GLU 297 N 1.29 4.31 -1.51 4.92 2.12 -1.26 -4.35 118.70 124.22 1a3g s GLU 297 Ca 0.28 2.05 -0.12 0.00 0.36 0.00 0.00 54.97 57.55 1a3g s GLU 297 Cb -0.16 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1a3g s GLU 297 CO 0.11 -0.47 2.63 -3.47 -0.54 0.00 0.00 175.26 173.52 1a3g n ASP 298 N 4.31 6.65 0.18 -1.70 2.03 -1.26 -4.69 116.55 122.06 1a3g n ASP 298 Ca 0.12 -2.66 0.16 0.00 0.52 0.00 0.00 54.79 52.93 1a3g n ASP 298 Cb 0.43 -1.56 0.77 0.00 -0.72 0.00 0.00 41.12 40.04 1a3g n ASP 298 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1a3g h LYS 299 N 5.51 0.00 0.00 -0.67 1.57 -2.03 -2.72 116.57 118.23 1a3g h LYS 299 Ca 0.74 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 59.36 1a3g h LYS 299 Cb 0.42 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1a3g h LYS 299 CO 1.81 0.00 -1.20 -1.49 -0.57 0.00 0.00 179.45 178.00 1a3g h TRP 300 N 0.00 0.00 -0.08 -1.35 6.55 -2.02 -3.48 115.95 115.56 1a3g h TRP 300 Ca 0.10 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.94 1a3g h TRP 300 Cb 0.50 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.80 1a3g h TRP 300 CO 0.00 0.57 0.00 0.41 -1.05 0.00 0.00 178.44 178.37 1a3g n GLY 301 N 1.36 1.40 0.00 1.49 0.00 -1.03 -5.01 105.19 103.40 1a3g n GLY 301 Ca -0.07 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1a3g n GLY 301 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a3g n TRP 302 N -1.29 0.00 -4.16 1.61 8.01 -1.26 -4.76 117.44 115.58 1a3g n TRP 302 Ca 0.00 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.86 1a3g n TRP 302 Cb 0.12 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.25 1a3g n TRP 302 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1a3g s LEU 303 N -1.94 2.08 -0.22 -0.99 1.43 -1.26 -0.56 118.68 117.22 1a3g s LEU 303 Ca 0.40 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1a3g s LEU 303 Cb 0.18 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 1a3g s LEU 303 CO 0.31 0.00 -0.02 -0.62 0.23 0.00 0.00 176.35 176.25 1a3g s ASP 304 N 1.27 4.56 -0.00 2.29 2.15 -0.71 -4.90 116.67 121.33 1a3g s ASP 304 Ca 0.04 -0.31 -0.24 0.00 0.43 0.00 0.00 52.55 52.47 1a3g s ASP 304 Cb -0.13 -1.79 -0.05 0.00 -0.30 0.00 0.00 42.92 40.65 1a3g s ASP 304 CO -0.12 0.00 0.71 -1.10 -0.17 0.00 0.00 175.17 174.50 1a3g s GLN 305 N 1.35 4.44 0.22 4.34 -0.21 -1.26 0.17 119.66 128.71 1a3g s GLN 305 Ca 0.04 0.94 -0.09 0.00 0.02 0.00 0.00 55.36 56.27 1a3g s GLN 305 Cb -0.14 -3.39 0.32 0.00 1.00 0.00 0.00 33.01 30.80 1a3g s GLN 305 CO -0.00 0.23 1.69 0.28 -2.12 0.00 0.00 175.29 175.36 1a3g h VAL 306 N 4.34 0.58 -1.66 1.09 2.07 -1.80 -3.32 116.25 117.55 1a3g h VAL 306 Ca -0.43 -0.08 -0.68 0.00 0.82 0.00 0.00 66.70 66.33 1a3g h VAL 306 Cb 1.20 0.34 -0.14 0.00 -1.52 0.00 0.00 31.29 31.18 1a3g h VAL 306 CO 0.72 0.04 1.50 0.20 0.02 0.00 0.00 177.57 180.05 1a3g s ASN 307 N -5.27 6.80 0.00 0.57 0.01 -1.26 -4.91 114.94 110.88 1a3g s ASN 307 Ca -0.13 -2.34 0.00 0.00 -0.71 0.00 0.00 52.86 49.68 1a3g s ASN 307 Cb 0.19 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.36 1a3g s ASN 307 CO 0.74 -1.08 0.11 0.00 -1.51 0.00 0.00 177.10 175.36