#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wta s ILE 4 N 0.00 4.95 0.21 0.00 1.01 -1.26 -4.96 121.20 121.14 1wta s ILE 4 Ca 0.00 1.58 0.10 0.00 0.00 0.00 0.00 60.65 62.33 1wta s ILE 4 Cb 0.00 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 1wta s ILE 4 CO 0.00 0.12 -0.20 0.42 0.00 0.00 0.00 174.94 175.28 1wta s THR 5 N 1.55 2.18 -0.12 2.92 -4.23 -1.26 -1.61 115.64 115.06 1wta s THR 5 Ca 0.39 -2.11 -0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1wta s THR 5 Cb -0.17 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.62 1wta s THR 5 CO 0.16 -0.29 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.79 1wta s ARG 6 N -3.01 1.12 0.92 3.99 1.81 -0.26 -2.78 118.95 120.74 1wta s ARG 6 Ca 0.22 -0.23 -0.10 0.00 -1.72 0.00 0.00 55.73 53.89 1wta s ARG 6 Cb -0.06 -1.58 0.15 0.00 -0.45 0.00 0.00 34.95 33.01 1wta s ARG 6 CO 0.10 -0.37 1.12 -1.25 -0.68 0.00 0.00 175.30 174.23 1wta s PRO 7 N 1.79 0.98 0.61 3.54 0.04 -1.26 -0.79 135.00 139.91 1wta s PRO 7 Ca 0.03 1.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.32 1wta s PRO 7 Cb -0.14 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1wta s PRO 7 CO -0.07 -2.60 1.04 -1.25 0.04 0.00 0.00 177.00 174.15 1wta s PRO 8 N -4.68 3.40 -0.55 0.56 0.04 -1.12 -4.10 135.00 128.55 1wta s PRO 8 Ca 0.66 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1wta s PRO 8 Cb -0.22 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1wta s PRO 8 CO 0.58 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1wta n GLY 9 N -1.60 0.75 3.73 0.56 0.00 -1.26 -5.00 105.19 102.37 1wta n GLY 9 Ca 0.08 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1wta n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wta s VAL 10 N -2.03 3.98 0.12 1.61 1.01 -1.26 -5.04 120.40 118.79 1wta s VAL 10 Ca 0.00 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.62 1wta s VAL 10 Cb 0.00 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1wta s VAL 10 CO 0.00 0.22 -0.10 -0.13 0.00 0.00 0.00 175.10 175.09 1wta s ARG 11 N 0.14 0.96 0.10 2.72 1.81 -1.26 -4.80 118.95 118.61 1wta s ARG 11 Ca 0.52 -1.30 -0.11 0.00 -1.72 0.00 0.00 55.73 53.12 1wta s ARG 11 Cb -0.29 -0.59 0.01 0.00 -0.45 0.00 0.00 34.95 33.63 1wta s ARG 11 CO 0.33 0.08 0.25 0.00 -0.68 0.00 0.00 175.30 175.28 1wta s ALA 12 N -2.85 -0.42 -0.09 2.13 0.00 0.05 -4.89 121.76 115.69 1wta s ALA 12 Ca 0.11 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.65 1wta s ALA 12 Cb -0.00 0.54 -0.08 0.00 0.00 0.00 0.00 23.12 23.58 1wta s ALA 12 CO 0.00 -0.54 -0.03 1.58 0.00 0.00 0.00 175.76 176.77 1wta n HIS 13 N -0.10 0.00 -4.85 0.00 -0.00 0.20 -1.90 115.22 108.57 1wta n HIS 13 Ca -0.15 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.74 1wta n HIS 13 Cb 0.63 -0.37 -0.17 0.00 -0.12 0.00 0.00 29.99 29.96 1wta n HIS 13 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1wta s VAL 14 N -2.19 1.67 -0.05 3.57 1.01 -0.66 -0.92 120.40 122.84 1wta s VAL 14 Ca -0.08 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 1wta s VAL 14 Cb 0.03 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1wta s VAL 14 CO 0.26 0.47 0.23 -0.83 0.00 0.00 0.00 175.10 175.24 1wta s GLY 15 N 0.59 2.25 -0.19 4.51 0.00 0.61 0.12 107.32 115.20 1wta s GLY 15 Ca -0.15 -0.55 0.01 0.00 0.00 0.00 0.00 44.72 44.03 1wta s GLY 15 CO 0.05 -0.31 -0.10 0.14 0.00 0.00 0.00 173.10 172.88 1wta s VAL 16 N -1.15 1.58 -0.20 1.40 1.01 0.16 -0.75 120.40 122.45 1wta s VAL 16 Ca 0.21 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1wta s VAL 16 Cb -0.13 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1wta s VAL 16 CO 0.11 0.17 -0.04 -0.63 0.00 0.00 0.00 175.10 174.70 1wta s ILE 17 N 1.43 3.51 -1.32 2.22 1.01 -0.11 -1.04 121.20 126.91 1wta s ILE 17 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1wta s ILE 17 Cb -0.16 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.73 1wta s ILE 17 CO -0.08 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1wta n GLY 18 N 4.49 -0.69 3.78 6.18 0.00 -1.11 -0.89 105.19 116.96 1wta n GLY 18 Ca -0.18 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1wta n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wta s GLY 19 N 0.00 2.49 0.54 -0.02 0.00 -1.26 -2.79 107.32 106.28 1wta s GLY 19 Ca 0.00 0.70 0.29 0.00 0.00 0.00 0.00 44.72 45.71 1wta s GLY 19 CO 0.00 1.04 2.12 1.48 0.00 0.00 0.00 173.10 177.74 1wta h SER 20 N 1.04 0.00 0.45 1.64 4.64 -1.94 -2.31 113.55 117.08 1wta h SER 20 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1wta h SER 20 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1wta h SER 20 CO 0.57 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 1wta n GLY 21 N -0.79 -1.11 0.23 -0.77 0.00 -1.26 -2.79 105.19 98.71 1wta n GLY 21 Ca -0.02 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1wta n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wta h LEU 22 N 0.00 0.53 -9.58 0.99 3.38 -1.79 -3.43 115.31 105.41 1wta h LEU 22 Ca 0.00 -0.20 -0.53 0.00 0.09 0.00 0.00 57.88 57.25 1wta h LEU 22 Cb 0.23 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 40.86 1wta h LEU 22 CO 0.00 0.80 0.79 -0.47 0.09 0.00 0.00 178.44 179.66 1wta s TYR 23 N -4.42 3.16 -0.24 1.13 5.04 -1.12 -4.92 117.35 115.99 1wta s TYR 23 Ca -0.07 0.81 0.01 0.00 -2.44 0.00 0.00 57.07 55.38 1wta s TYR 23 Cb 0.13 -3.79 0.06 0.00 0.35 0.00 0.00 41.96 38.71 1wta s TYR 23 CO 0.80 -2.85 -0.07 0.34 -1.34 0.00 0.00 175.55 172.44 1wta s ASP 24 N 1.11 4.02 0.30 4.32 -1.08 -1.26 -5.00 116.67 119.08 1wta s ASP 24 Ca 0.67 -1.24 0.25 0.00 -0.52 0.00 0.00 52.55 51.71 1wta s ASP 24 Cb -0.40 -1.29 1.04 0.00 -1.46 0.00 0.00 42.92 40.81 1wta s ASP 24 CO 0.31 -0.22 1.74 1.55 0.52 0.00 0.00 175.17 179.07 1wta h PRO 25 N 7.90 0.00 0.00 4.34 0.13 -1.95 -1.30 132.00 141.12 1wta h PRO 25 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1wta h PRO 25 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1wta h PRO 25 CO 0.43 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.61 1wta n GLY 26 N -0.04 -1.36 0.46 1.56 0.00 -1.26 -4.14 105.19 100.41 1wta n GLY 26 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1wta n GLY 26 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wta n ILE 27 N -1.98 0.78 -2.30 -0.61 5.41 -0.59 -5.01 119.36 115.05 1wta n ILE 27 Ca 0.04 -0.22 -0.43 0.00 1.00 0.00 0.00 62.75 63.15 1wta n ILE 27 Cb 0.29 -1.55 -0.02 0.00 -0.71 0.00 0.00 39.64 37.64 1wta n ILE 27 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1wta s VAL 28 N -2.26 4.04 0.19 1.39 1.01 -0.63 -4.81 120.40 119.33 1wta s VAL 28 Ca -0.19 1.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.83 1wta s VAL 28 Cb 0.07 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 1wta s VAL 28 CO 0.26 -0.23 0.66 -1.61 0.00 0.00 0.00 175.10 174.18 1wta s GLU 29 N 3.94 4.15 -1.47 2.72 0.41 0.08 -4.34 118.70 124.19 1wta s GLU 29 Ca 0.61 0.73 -0.05 0.00 -0.41 0.00 0.00 54.97 55.84 1wta s GLU 29 Cb -0.23 -2.90 0.04 0.00 -1.78 0.00 0.00 34.13 29.26 1wta s GLU 29 CO 0.21 0.43 0.59 0.09 -0.49 0.00 0.00 175.26 176.09 1wta n ASN 30 N 0.75 -1.52 -4.77 -0.19 3.02 -1.26 -0.61 115.26 110.68 1wta n ASN 30 Ca -0.03 -0.96 -0.39 0.00 -0.03 0.00 0.00 54.58 53.17 1wta n ASN 30 Cb 0.51 -3.22 -0.01 0.00 -0.61 0.00 0.00 39.78 36.45 1wta n ASN 30 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wta s PRO 31 N -6.56 4.06 -0.01 3.52 0.04 -1.26 -4.57 135.00 130.22 1wta s PRO 31 Ca 0.22 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.31 1wta s PRO 31 Cb -0.12 -2.78 0.01 0.00 0.04 0.00 0.00 34.50 31.65 1wta s PRO 31 CO 0.88 -0.38 0.02 0.54 0.04 0.00 0.00 177.00 178.11 1wta s VAL 32 N -1.29 -0.03 0.04 -0.36 0.11 0.17 -4.97 120.40 114.07 1wta s VAL 32 Ca 0.56 0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 59.40 1wta s VAL 32 Cb -0.36 -0.06 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 1wta s VAL 32 CO 0.46 0.04 1.01 -1.61 -3.33 0.00 0.00 175.10 171.67 1wta s GLU 33 N 0.50 4.57 -0.03 1.54 2.02 -1.26 -0.67 118.70 125.36 1wta s GLU 33 Ca -0.04 1.49 0.05 0.00 0.02 0.00 0.00 54.97 56.48 1wta s GLU 33 Cb -0.06 -3.42 -0.01 0.00 0.10 0.00 0.00 34.13 30.74 1wta s GLU 33 CO -0.01 -0.03 -0.17 0.08 0.02 0.00 0.00 175.26 175.15 1wta s VAL 34 N 0.80 1.37 -0.27 2.63 1.01 0.44 -4.48 120.40 121.89 1wta s VAL 34 Ca 0.52 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 1wta s VAL 34 Cb -0.23 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1wta s VAL 34 CO 0.29 0.39 0.16 -0.54 0.00 0.00 0.00 175.10 175.40 1wta s LYS 35 N -0.11 3.84 -0.26 2.72 1.02 0.03 -2.84 119.74 124.15 1wta s LYS 35 Ca -0.00 -0.38 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 1wta s LYS 35 Cb -0.10 -3.57 0.03 0.00 -0.52 0.00 0.00 37.83 33.68 1wta s LYS 35 CO 0.01 -0.19 -0.04 0.08 -0.92 0.00 0.00 175.35 174.29 1wta s VAL 36 N 1.72 2.96 0.38 3.17 1.01 -1.26 -1.10 120.40 127.27 1wta s VAL 36 Ca 0.07 -1.08 -0.28 0.00 0.00 0.00 0.00 61.98 60.69 1wta s VAL 36 Cb -0.16 -2.55 -0.10 0.00 0.00 0.00 0.00 36.38 33.57 1wta s VAL 36 CO 0.09 0.13 1.47 -0.55 0.00 0.00 0.00 175.10 176.23 1wta s SER 37 N 1.32 6.30 0.11 3.32 0.15 -0.63 -4.86 113.70 119.41 1wta s SER 37 Ca -0.01 3.01 0.03 0.00 0.70 0.00 0.00 55.95 59.68 1wta s SER 37 Cb -0.17 -2.66 -0.04 0.00 -1.71 0.00 0.00 66.02 61.43 1wta s SER 37 CO -0.03 -0.90 -0.09 0.42 1.20 0.00 0.00 173.24 173.84 1wta s THR 38 N -1.14 0.94 -1.88 6.45 -4.23 -1.26 -4.79 115.64 109.74 1wta s THR 38 Ca 0.54 -1.88 0.20 0.00 -1.18 0.00 0.00 61.69 59.37 1wta s THR 38 Cb -0.46 -1.63 0.53 0.00 1.34 0.00 0.00 72.50 72.28 1wta s THR 38 CO 0.61 -0.73 1.62 -0.81 -0.54 0.00 0.00 174.62 174.77 1wta n PRO 39 N 0.09 0.57 -0.09 3.99 -0.05 -1.26 -3.16 135.00 135.09 1wta n PRO 39 Ca -0.13 0.02 0.04 0.00 -0.05 0.00 0.00 63.50 63.39 1wta n PRO 39 Cb 0.60 -1.50 0.09 0.00 -0.05 0.00 0.00 33.50 32.64 1wta n PRO 39 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1wta n TYR 40 N -1.06 0.24 -2.62 0.54 4.01 -1.26 -5.11 117.16 111.90 1wta n TYR 40 Ca 0.14 -0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1wta n TYR 40 Cb 0.09 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1wta n TYR 40 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wta n GLY 41 N 0.35 -0.42 3.70 2.72 0.00 -1.19 -4.79 105.19 105.56 1wta n GLY 41 Ca 0.08 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1wta n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wta s ASN 42 N -4.00 7.03 1.13 1.61 -0.87 -1.26 -4.32 114.94 114.26 1wta s ASN 42 Ca 0.00 1.95 -0.13 0.00 -1.57 0.00 0.00 52.86 53.10 1wta s ASN 42 Cb 0.00 -2.57 0.23 0.00 -0.02 0.00 0.00 41.25 38.90 1wta s ASN 42 CO 0.00 -0.56 0.83 -2.65 -2.57 0.00 0.00 177.10 172.15 1wta n PRO 43 N 4.69 -2.02 -0.17 -0.60 -0.02 -1.26 -4.80 135.00 130.83 1wta n PRO 43 Ca 0.10 -0.56 0.13 0.00 -2.02 0.00 0.00 63.50 61.16 1wta n PRO 43 Cb 0.46 -2.10 0.47 0.00 -0.02 0.00 0.00 33.50 32.31 1wta n PRO 43 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1wta h SER 44 N -2.46 0.46 -2.66 2.55 0.02 -1.85 -3.45 113.55 106.17 1wta h SER 44 Ca -0.58 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.35 1wta h SER 44 Cb 1.33 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1wta h SER 44 CO 0.46 0.25 0.19 -0.67 -1.14 0.00 0.00 176.83 175.92 1wta n ASP 45 N -4.49 -1.76 -4.55 3.07 -0.08 -1.26 -4.32 116.55 103.15 1wta n ASP 45 Ca 0.14 -2.29 -0.42 0.00 -1.51 0.00 0.00 54.79 50.71 1wta n ASP 45 Cb 0.46 2.96 0.01 0.00 2.34 0.00 0.00 41.12 46.89 1wta n ASP 45 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1wta n PHE 46 N -0.43 0.56 -3.59 -0.67 3.72 -1.26 -4.94 117.46 110.85 1wta n PHE 46 Ca -0.06 0.59 -0.36 0.00 -0.05 0.00 0.00 57.45 57.56 1wta n PHE 46 Cb 0.47 -2.14 -0.08 0.00 -0.94 0.00 0.00 39.48 36.80 1wta n PHE 46 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1wta s ILE 47 N -1.33 5.33 -0.29 4.37 1.01 -1.13 -4.66 121.20 124.50 1wta s ILE 47 Ca 0.64 0.41 -0.12 0.00 0.00 0.00 0.00 60.65 61.57 1wta s ILE 47 Cb -0.58 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1wta s ILE 47 CO 0.57 0.38 0.24 -0.69 0.00 0.00 0.00 174.94 175.43 1wta s VAL 48 N 0.65 5.28 -0.13 2.92 1.01 -0.61 -0.42 120.40 129.10 1wta s VAL 48 Ca 0.13 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1wta s VAL 48 Cb -0.13 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1wta s VAL 48 CO 0.03 0.18 -0.01 -0.69 0.00 0.00 0.00 175.10 174.61 1wta s VAL 49 N 1.82 4.16 0.17 2.92 1.01 0.16 -0.63 120.40 130.01 1wta s VAL 49 Ca 0.08 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1wta s VAL 49 Cb -0.16 -2.80 0.06 0.00 0.00 0.00 0.00 36.38 33.48 1wta s VAL 49 CO 0.11 0.53 0.78 0.61 0.00 0.00 0.00 175.10 177.13 1wta n GLY 50 N 2.99 0.82 3.49 4.51 0.00 -0.72 -0.65 105.19 115.63 1wta n GLY 50 Ca -0.18 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 1wta n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wta s ASP 51 N -2.87 4.75 -0.25 1.61 1.01 0.22 -0.45 116.67 120.68 1wta s ASP 51 Ca 0.17 -0.14 0.02 0.00 0.71 0.00 0.00 52.55 53.31 1wta s ASP 51 Cb -0.03 -1.75 0.06 0.00 1.01 0.00 0.00 42.92 42.21 1wta s ASP 51 CO 0.05 0.18 -0.07 -0.69 0.21 0.00 0.00 175.17 174.85 1wta s VAL 52 N 0.31 1.75 -1.56 -1.27 1.01 -0.04 -0.74 120.40 119.86 1wta s VAL 52 Ca -0.04 -1.38 -0.14 0.00 0.00 0.00 0.00 61.98 60.42 1wta s VAL 52 Cb -0.14 -1.97 0.10 0.00 0.00 0.00 0.00 36.38 34.36 1wta s VAL 52 CO 0.03 -0.09 0.96 0.00 0.00 0.00 0.00 175.10 176.00 1wta n ALA 53 N 4.59 -1.29 -0.98 5.51 0.00 -1.26 -1.12 120.51 125.96 1wta n ALA 53 Ca -0.12 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1wta n ALA 53 Cb 0.43 -4.34 0.00 0.00 0.00 0.00 0.00 19.45 15.54 1wta n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wta n GLY 54 N -1.66 0.56 3.60 0.00 0.00 -1.26 -4.91 105.19 101.53 1wta n GLY 54 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1wta n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wta s VAL 55 N -2.38 4.65 -0.23 1.61 1.01 -0.27 -5.06 120.40 119.73 1wta s VAL 55 Ca 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 1wta s VAL 55 Cb 0.00 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 1wta s VAL 55 CO 0.00 0.45 0.85 -0.54 0.00 0.00 0.00 175.10 175.86 1wta s LYS 56 N 0.49 4.20 -0.04 2.72 1.02 -1.26 -0.86 119.74 126.01 1wta s LYS 56 Ca 0.02 0.98 0.06 0.00 0.02 0.00 0.00 55.97 57.06 1wta s LYS 56 Cb -0.13 -3.64 -0.02 0.00 -0.52 0.00 0.00 37.83 33.52 1wta s LYS 56 CO 0.01 -0.51 -0.22 0.08 -0.92 0.00 0.00 175.35 173.79 1wta s VAL 57 N 2.80 2.40 -0.25 3.17 1.01 0.40 -0.62 120.40 129.31 1wta s VAL 57 Ca 0.36 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1wta s VAL 57 Cb -0.15 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.38 1wta s VAL 57 CO 0.08 0.58 -0.05 0.00 0.00 0.00 0.00 175.10 175.70 1wta s ALA 58 N -0.57 2.71 -0.18 5.51 0.00 0.12 -1.75 121.76 127.61 1wta s ALA 58 Ca 0.08 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.41 1wta s ALA 58 Cb -0.11 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 1wta s ALA 58 CO 0.00 -0.87 0.28 -0.06 0.00 0.00 0.00 175.76 175.12 1wta s PHE 59 N 1.32 3.43 -0.15 0.00 0.08 0.20 -0.66 117.98 122.19 1wta s PHE 59 Ca -0.00 0.54 -0.03 0.00 0.12 0.00 0.00 56.93 57.56 1wta s PHE 59 Cb -0.17 -2.34 0.05 0.00 -0.57 0.00 0.00 43.02 39.99 1wta s PHE 59 CO -0.04 0.19 0.03 -1.17 -0.10 0.00 0.00 175.22 174.13 1wta s LEU 60 N 0.63 0.92 -0.44 -0.37 2.96 -0.20 -1.57 118.68 120.61 1wta s LEU 60 Ca 0.15 -0.57 -0.29 0.00 -0.22 0.00 0.00 54.13 53.20 1wta s LEU 60 Cb -0.13 -0.52 0.02 0.00 0.50 0.00 0.00 46.19 46.07 1wta s LEU 60 CO 0.04 -0.27 1.21 -2.16 -1.32 0.00 0.00 176.35 173.84 1wta s PRO 61 N 1.92 3.73 0.47 0.98 0.04 -1.26 -2.73 135.00 138.16 1wta s PRO 61 Ca 0.01 0.74 0.14 0.00 0.04 0.00 0.00 61.00 61.93 1wta s PRO 61 Cb -0.15 -3.92 1.10 0.00 0.04 0.00 0.00 34.50 31.57 1wta s PRO 61 CO -0.07 -1.37 2.07 0.07 0.04 0.00 0.00 177.00 177.74 1wta h ARG 62 N 9.48 0.08 -0.10 4.56 0.11 -1.88 -0.91 114.38 125.73 1wta h ARG 62 Ca -0.24 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.83 1wta h ARG 62 Cb 1.07 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.14 1wta h ARG 62 CO 1.10 0.13 0.00 0.72 0.10 0.00 0.00 179.97 182.02 1wta n HIS 63 N -4.45 0.12 -0.26 4.08 8.25 -1.26 -4.75 115.22 116.95 1wta n HIS 63 Ca -0.02 -0.06 0.02 0.00 -0.26 0.00 0.00 57.72 57.41 1wta n HIS 63 Cb 0.15 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 1wta n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wta n GLY 64 N 1.15 -2.82 3.76 -1.41 0.00 -0.35 -0.92 105.19 104.61 1wta n GLY 64 Ca 0.17 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 1wta n GLY 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wta n ARG 65 N -2.25 2.58 -0.99 1.61 0.63 -1.26 -2.16 116.66 114.82 1wta n ARG 65 Ca -0.01 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 1wta n ARG 65 Cb 0.11 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.40 1wta n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wta n GLY 66 N 0.79 0.64 3.52 5.14 0.00 -1.26 -4.08 105.19 109.94 1wta n GLY 66 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1wta n GLY 66 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wta n HIS 67 N -2.63 -2.12 0.78 1.61 -0.00 -0.92 -4.93 115.22 107.00 1wta n HIS 67 Ca 0.00 0.79 0.12 0.00 0.46 0.00 0.00 57.72 59.10 1wta n HIS 67 Cb 0.02 -4.28 0.27 0.00 -0.12 0.00 0.00 29.99 25.87 1wta n HIS 67 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1wta n ARG 68 N -3.94 0.15 -3.92 1.57 1.74 -0.28 -4.82 116.66 107.17 1wta n ARG 68 Ca -0.20 0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.64 1wta n ARG 68 Cb 0.64 -1.60 -0.16 0.00 -1.02 0.00 0.00 32.46 30.32 1wta n ARG 68 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1wta s ILE 69 N -3.08 1.41 0.81 0.55 1.01 -0.10 -5.02 121.20 116.77 1wta s ILE 69 Ca 0.09 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 1wta s ILE 69 Cb 0.15 -1.67 0.08 0.00 0.01 0.00 0.00 42.46 41.03 1wta s ILE 69 CO 0.68 -0.06 1.10 -2.16 0.00 0.00 0.00 174.94 174.50 1wta s PRO 70 N 1.46 1.98 0.30 2.79 0.04 -1.26 -4.49 135.00 135.82 1wta s PRO 70 Ca -0.04 1.14 0.06 0.00 0.04 0.00 0.00 61.00 62.20 1wta s PRO 70 Cb -0.18 -1.87 0.75 0.00 0.04 0.00 0.00 34.50 33.24 1wta s PRO 70 CO -0.07 -1.83 1.77 -1.35 0.04 0.00 0.00 177.00 175.57 1wta h PRO 71 N -1.26 0.73 0.00 0.56 0.11 -1.92 -1.16 132.00 129.06 1wta h PRO 71 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wta h PRO 71 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1wta h PRO 71 CO 0.51 0.48 0.00 1.12 -0.21 0.00 0.00 178.00 179.90 1wta h HIS 72 N 0.75 0.00 -0.03 0.65 2.07 -1.87 -3.12 115.15 113.60 1wta h HIS 72 Ca 0.59 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.11 1wta h HIS 72 Cb 0.93 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.91 1wta h HIS 72 CO -0.00 0.00 -0.05 0.00 -3.07 0.00 0.00 177.93 174.80 1wta n ALA 73 N -2.01 2.58 -2.03 6.11 0.00 -0.45 -4.84 120.51 119.89 1wta n ALA 73 Ca 0.02 -0.68 -0.41 0.00 0.00 0.00 0.00 53.44 52.36 1wta n ALA 73 Cb 0.34 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1wta n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1wta s ILE 74 N -2.05 3.49 -1.28 0.00 1.01 -1.17 -4.93 121.20 116.28 1wta s ILE 74 Ca 0.27 1.26 -0.17 0.00 0.00 0.00 0.00 60.65 62.01 1wta s ILE 74 Cb 0.20 -3.81 0.09 0.00 0.01 0.00 0.00 42.46 38.95 1wta s ILE 74 CO 0.33 0.21 1.68 0.21 0.00 0.00 0.00 174.94 177.37 1wta s ASN 75 N 0.10 6.87 0.22 3.58 3.84 -1.26 -4.82 114.94 123.46 1wta s ASN 75 Ca 0.53 -2.52 -0.08 0.00 0.21 0.00 0.00 52.86 51.00 1wta s ASN 75 Cb -0.33 -2.55 0.17 0.00 -0.55 0.00 0.00 41.25 37.99 1wta s ASN 75 CO 0.37 -1.11 1.83 1.88 -2.79 0.00 0.00 177.10 177.29 1wta h TYR 76 N 7.56 1.13 -0.36 0.43 0.05 -1.95 -1.97 116.97 121.86 1wta h TYR 76 Ca 0.42 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 59.15 1wta h TYR 76 Cb 0.87 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 1wta h TYR 76 CO 1.37 0.80 0.15 0.00 -1.05 0.00 0.00 178.16 179.43 1wta h ARG 77 N 1.14 0.53 -0.79 4.88 3.08 -1.92 -2.00 114.38 119.30 1wta h ARG 77 Ca 0.28 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1wta h ARG 77 Cb 0.06 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1wta h ARG 77 CO -0.04 0.51 0.42 0.00 -1.07 0.00 0.00 179.97 179.79 1wta h ALA 78 N 1.00 1.01 -0.11 0.04 0.00 -1.81 -0.66 119.26 118.73 1wta h ALA 78 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wta h ALA 78 Cb 0.17 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1wta h ALA 78 CO -0.01 0.53 0.04 -0.91 0.00 0.00 0.00 179.25 178.91 1wta h ASN 79 N 1.10 0.15 -0.09 0.00 2.35 -1.08 -0.97 115.58 117.05 1wta h ASN 79 Ca 0.28 -0.17 -0.24 0.00 -0.55 0.00 0.00 56.30 55.62 1wta h ASN 79 Cb 0.05 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.40 1wta h ASN 79 CO -0.04 0.28 -0.89 0.40 -1.65 0.00 0.00 177.43 175.53 1wta h ILE 80 N 0.02 1.28 -0.71 2.81 1.08 -1.34 -2.39 117.51 118.26 1wta h ILE 80 Ca 0.04 -2.09 0.05 0.00 -0.39 0.00 0.00 64.86 62.47 1wta h ILE 80 Cb 0.17 2.14 -0.05 0.00 -3.07 0.00 0.00 36.82 36.01 1wta h ILE 80 CO -0.00 0.66 0.42 -0.25 -0.69 0.00 0.00 178.15 178.28 1wta h TRP 81 N 0.48 0.77 -0.41 1.37 2.91 -1.09 -0.99 115.95 119.00 1wta h TRP 81 Ca -0.09 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.91 1wta h TRP 81 Cb 1.53 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.92 1wta h TRP 81 CO 0.09 0.40 0.07 0.00 -1.03 0.00 0.00 178.44 177.98 1wta h ALA 82 N 1.34 0.54 -0.34 2.65 0.00 -1.07 0.66 119.26 123.04 1wta h ALA 82 Ca 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1wta h ALA 82 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1wta h ALA 82 CO -0.15 0.24 0.15 -0.07 0.00 0.00 0.00 179.25 179.41 1wta h LEU 83 N 0.52 0.46 -0.94 0.00 3.38 -1.22 -2.47 115.31 115.04 1wta h LEU 83 Ca 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1wta h LEU 83 Cb 0.36 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1wta h LEU 83 CO 0.01 0.48 0.52 0.50 0.09 0.00 0.00 178.44 180.04 1wta h LYS 84 N 0.40 1.27 -0.00 1.13 1.63 -1.00 -2.46 116.57 117.54 1wta h LYS 84 Ca 0.11 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1wta h LYS 84 Cb 0.16 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1wta h LYS 84 CO -0.01 0.91 -0.14 0.00 -3.45 0.00 0.00 179.45 176.76 1wta h ALA 85 N 1.30 1.76 0.00 5.00 0.00 -0.65 -1.34 119.26 125.32 1wta h ALA 85 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wta h ALA 85 Cb -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wta h ALA 85 CO -0.06 0.18 0.00 -0.07 0.00 0.00 0.00 179.25 179.31 1wta h LEU 86 N 0.00 0.00 0.00 0.00 3.38 -0.98 -3.45 115.31 114.26 1wta h LEU 86 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wta h LEU 86 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wta h LEU 86 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1wta n GLY 87 N 0.80 1.11 3.76 0.83 0.00 -0.51 -0.77 105.19 110.42 1wta n GLY 87 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1wta n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wta s VAL 88 N -2.00 2.43 -0.10 1.61 -7.23 -0.80 -4.60 120.40 109.71 1wta s VAL 88 Ca 0.00 0.32 0.05 0.00 -1.81 0.00 0.00 61.98 60.54 1wta s VAL 88 Cb 0.00 -3.16 -0.10 0.00 0.56 0.00 0.00 36.38 33.68 1wta s VAL 88 CO 0.00 -0.01 -0.02 0.29 -0.31 0.00 0.00 175.10 175.05 1wta n LYS 89 N -0.91 1.61 -4.63 4.82 4.76 -0.09 -4.80 118.16 118.91 1wta n LYS 89 Ca 0.10 0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.24 1wta n LYS 89 Cb 0.46 -1.24 -0.12 0.00 -1.84 0.00 0.00 35.03 32.29 1wta n LYS 89 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1wta s TRP 90 N -2.23 2.78 -0.13 2.13 0.52 -1.11 -1.61 118.94 119.29 1wta s TRP 90 Ca -0.09 -0.10 -0.01 0.00 0.02 0.00 0.00 56.10 55.92 1wta s TRP 90 Cb 0.03 -1.60 0.03 0.00 -1.15 0.00 0.00 33.47 30.79 1wta s TRP 90 CO 0.35 0.30 -0.06 0.08 0.02 0.00 0.00 176.95 177.63 1wta s VAL 91 N -0.89 1.02 -0.29 4.03 1.01 0.43 -0.28 120.40 125.42 1wta s VAL 91 Ca 0.15 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 1wta s VAL 91 Cb -0.11 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1wta s VAL 91 CO 0.04 0.27 0.31 -0.63 0.00 0.00 0.00 175.10 175.10 1wta s ILE 92 N 1.69 5.22 -0.13 2.22 1.01 0.07 -1.90 121.20 129.38 1wta s ILE 92 Ca 0.03 0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.89 1wta s ILE 92 Cb -0.14 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1wta s ILE 92 CO -0.08 0.12 0.19 -0.55 0.00 0.00 0.00 174.94 174.62 1wta s SER 93 N 1.70 6.40 -0.12 3.58 0.15 -0.35 -0.93 113.70 124.13 1wta s SER 93 Ca 0.12 0.47 0.02 0.00 0.70 0.00 0.00 55.95 57.25 1wta s SER 93 Cb -0.16 -2.11 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 1wta s SER 93 CO 0.11 0.30 -0.18 -0.69 1.20 0.00 0.00 173.24 173.98 1wta s VAL 94 N -0.47 2.57 -0.01 4.45 1.01 -0.07 -0.08 120.40 127.80 1wta s VAL 94 Ca 0.14 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1wta s VAL 94 Cb -0.12 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 1wta s VAL 94 CO 0.03 0.54 0.06 -0.44 0.00 0.00 0.00 175.10 175.29 1wta s SER 95 N 0.45 0.02 0.27 3.32 0.01 -0.61 -4.42 113.70 112.75 1wta s SER 95 Ca -0.13 -0.08 -0.28 0.00 1.31 0.00 0.00 55.95 56.78 1wta s SER 95 Cb -0.17 0.14 -0.09 0.00 0.21 0.00 0.00 66.02 66.11 1wta s SER 95 CO 0.06 -0.15 0.93 0.00 0.41 0.00 0.00 173.24 174.48 1wta s ALA 96 N -0.58 3.29 0.00 1.44 0.00 -1.26 -0.30 121.76 124.36 1wta s ALA 96 Ca -0.06 0.55 -0.08 0.00 0.00 0.00 0.00 51.96 52.37 1wta s ALA 96 Cb -0.04 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1wta s ALA 96 CO 0.00 0.20 0.15 0.14 0.00 0.00 0.00 175.76 176.25 1wta s VAL 97 N -1.37 0.08 0.47 0.00 -7.23 -0.79 -4.78 120.40 106.78 1wta s VAL 97 Ca 0.45 -0.69 -0.15 0.00 -1.81 0.00 0.00 61.98 59.78 1wta s VAL 97 Cb -0.22 -0.47 -0.07 0.00 0.56 0.00 0.00 36.38 36.17 1wta s VAL 97 CO 0.28 -0.38 0.90 -0.83 -0.31 0.00 0.00 175.10 174.76 1wta s GLY 98 N -1.42 2.04 -0.06 2.32 0.00 0.08 -1.21 107.32 109.06 1wta s GLY 98 Ca -0.14 0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 1wta s GLY 98 CO 0.02 0.30 0.02 -0.45 0.00 0.00 0.00 173.10 172.98 1wta s SER 99 N -3.06 5.31 -0.10 1.64 0.15 0.12 -0.93 113.70 116.83 1wta s SER 99 Ca 0.56 0.13 0.13 0.00 0.70 0.00 0.00 55.95 57.48 1wta s SER 99 Cb -0.10 -1.49 0.39 0.00 -1.71 0.00 0.00 66.02 63.11 1wta s SER 99 CO 0.31 0.35 1.31 0.18 1.20 0.00 0.00 173.24 176.59 1wta n LEU 100 N 1.90 3.30 -3.78 3.45 4.77 -0.21 -4.01 117.00 122.42 1wta n LEU 100 Ca -0.17 -2.57 -0.13 0.00 -0.03 0.00 0.00 56.01 53.11 1wta n LEU 100 Cb 0.53 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1wta n LEU 100 CO 0.30 0.69 -0.06 0.00 -1.33 0.00 0.00 177.39 177.00 1wta s ARG 101 N -2.02 0.33 0.24 3.23 1.70 -1.26 -4.94 118.95 116.23 1wta s ARG 101 Ca 0.32 0.40 -0.05 0.00 -0.47 0.00 0.00 55.73 55.92 1wta s ARG 101 Cb 0.23 0.16 0.43 0.00 -0.57 0.00 0.00 34.95 35.19 1wta s ARG 101 CO 0.10 -0.04 1.73 1.49 -1.08 0.00 0.00 175.30 177.50 1wta h GLU 102 N 5.73 0.42 0.00 3.89 4.22 -1.98 -2.04 114.58 124.83 1wta h GLU 102 Ca -0.26 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.15 1wta h GLU 102 Cb 1.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1wta h GLU 102 CO 0.33 0.28 0.00 -0.40 -2.18 0.00 0.00 179.01 177.04 1wta n ASP 103 N -5.01 0.54 -4.42 1.04 5.75 -1.26 -3.90 116.55 109.28 1wta n ASP 103 Ca 0.13 0.59 -0.44 0.00 -0.01 0.00 0.00 54.79 55.06 1wta n ASP 103 Cb 0.39 -0.72 -0.03 0.00 -1.03 0.00 0.00 41.12 39.73 1wta n ASP 103 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1wta s TYR 104 N -3.16 3.17 0.13 2.11 1.51 -0.77 -5.03 117.35 115.32 1wta s TYR 104 Ca 0.08 -1.37 -0.07 0.00 -1.01 0.00 0.00 57.07 54.69 1wta s TYR 104 Cb 0.12 -4.18 -0.06 0.00 -0.11 0.00 0.00 41.96 37.73 1wta s TYR 104 CO 0.46 -1.40 0.41 1.03 -1.11 0.00 0.00 175.55 174.94 1wta s ARG 105 N 2.39 3.70 0.13 -0.62 0.52 -1.25 -4.73 118.95 119.08 1wta s ARG 105 Ca 0.27 0.07 -0.35 0.00 -0.52 0.00 0.00 55.73 55.20 1wta s ARG 105 Cb -0.09 -2.88 -0.16 0.00 0.52 0.00 0.00 34.95 32.34 1wta s ARG 105 CO -0.06 0.48 1.27 -2.30 0.02 0.00 0.00 175.30 174.72 1wta n PRO 106 N 0.39 1.20 0.00 3.54 -0.02 -1.26 -0.72 135.00 138.13 1wta n PRO 106 Ca -0.04 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1wta n PRO 106 Cb 0.52 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1wta n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wta n GLY 107 N 2.32 3.09 3.77 -1.23 0.00 0.08 -4.98 105.19 108.25 1wta n GLY 107 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1wta n GLY 107 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wta s ASP 108 N 0.45 6.69 0.35 1.61 1.01 0.10 -4.80 116.67 122.07 1wta s ASP 108 Ca 0.00 2.36 -0.13 0.00 0.71 0.00 0.00 52.55 55.48 1wta s ASP 108 Cb 0.00 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.23 1wta s ASP 108 CO 0.00 -0.56 0.74 -0.36 0.21 0.00 0.00 175.17 175.20 1wta s PHE 109 N -1.35 3.40 -0.03 4.23 0.08 -0.78 -1.02 117.98 122.51 1wta s PHE 109 Ca 0.54 1.16 0.01 0.00 0.12 0.00 0.00 56.93 58.76 1wta s PHE 109 Cb -0.31 -2.50 0.02 0.00 -0.57 0.00 0.00 43.02 39.65 1wta s PHE 109 CO 0.40 0.03 -0.01 0.08 -0.10 0.00 0.00 175.22 175.62 1wta s VAL 110 N -2.10 0.24 -0.60 -0.44 1.01 0.36 -1.04 120.40 117.83 1wta s VAL 110 Ca 0.53 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 1wta s VAL 110 Cb -0.10 -0.30 0.16 0.00 0.00 0.00 0.00 36.38 36.13 1wta s VAL 110 CO 0.22 0.14 0.44 -0.69 0.00 0.00 0.00 175.10 175.21 1wta s VAL 111 N 0.79 3.98 0.66 2.92 1.01 -0.40 -0.72 120.40 128.63 1wta s VAL 111 Ca -0.08 -2.61 -0.16 0.00 0.00 0.00 0.00 61.98 59.13 1wta s VAL 111 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1wta s VAL 111 CO -0.01 -0.86 1.15 -2.16 0.00 0.00 0.00 175.10 173.22 1wta s PRO 112 N 0.33 2.70 -0.00 2.72 0.04 -1.26 -3.63 135.00 135.90 1wta s PRO 112 Ca 0.14 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.78 1wta s PRO 112 Cb -0.20 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1wta s PRO 112 CO -0.04 -1.36 0.16 -0.40 0.04 0.00 0.00 177.00 175.40 1wta n ASP 113 N -2.29 0.48 -4.10 6.66 5.75 -0.60 -4.79 116.55 117.65 1wta n ASP 113 Ca 0.12 -0.55 -0.09 0.00 -0.01 0.00 0.00 54.79 54.26 1wta n ASP 113 Cb 0.51 1.01 -0.10 0.00 -1.03 0.00 0.00 41.12 41.52 1wta n ASP 113 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1wta s GLN 114 N -1.44 0.85 0.10 0.11 -1.52 -0.98 -4.43 119.66 112.35 1wta s GLN 114 Ca 0.01 -1.33 -0.11 0.00 -1.95 0.00 0.00 55.36 51.99 1wta s GLN 114 Cb 0.03 0.25 0.01 0.00 -0.22 0.00 0.00 33.01 33.08 1wta s GLN 114 CO 0.16 -0.23 0.25 -0.59 -0.25 0.00 0.00 175.29 174.63 1wta s PHE 115 N -3.99 0.07 -0.16 0.91 -0.12 -1.26 -1.37 117.98 112.06 1wta s PHE 115 Ca 0.17 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 1wta s PHE 115 Cb 0.07 0.02 0.03 0.00 -0.63 0.00 0.00 43.02 42.52 1wta s PHE 115 CO -0.02 -0.59 -0.10 0.42 -0.05 0.00 0.00 175.22 174.87 1wta s ILE 116 N -3.85 1.39 -0.46 -4.49 1.01 -0.11 -4.89 121.20 109.81 1wta s ILE 116 Ca 0.05 -0.68 -0.24 0.00 0.00 0.00 0.00 60.65 59.77 1wta s ILE 116 Cb 0.04 -1.43 0.03 0.00 0.01 0.00 0.00 42.46 41.11 1wta s ILE 116 CO -0.11 0.28 0.87 -0.62 0.00 0.00 0.00 174.94 175.36 1wta s ASP 117 N 1.53 6.46 -0.11 3.58 2.15 -1.26 -1.27 116.67 127.75 1wta s ASP 117 Ca 0.02 0.02 0.14 0.00 0.43 0.00 0.00 52.55 53.16 1wta s ASP 117 Cb -0.14 -2.42 0.35 0.00 -0.30 0.00 0.00 42.92 40.41 1wta s ASP 117 CO -0.09 -1.00 1.26 0.23 -0.17 0.00 0.00 175.17 175.40 1wta n MET 118 N 6.98 2.43 -1.36 4.34 2.81 0.57 -4.97 117.12 127.92 1wta n MET 118 Ca 0.04 -2.46 -0.30 0.00 -1.81 0.00 0.00 57.70 53.17 1wta n MET 118 Cb 0.48 -1.54 0.11 0.00 -0.71 0.00 0.00 33.22 31.56 1wta n MET 118 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1wta s THR 119 N -2.31 2.94 0.00 2.03 -4.23 -1.05 -4.10 115.64 108.92 1wta s THR 119 Ca 0.31 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1wta s THR 119 Cb 0.24 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1wta s THR 119 CO 0.07 -0.40 0.00 2.29 -0.54 0.00 0.00 174.62 176.04 1wta n LYS 120 N -3.64 3.71 -1.01 3.99 2.85 -1.26 -4.94 118.16 117.86 1wta n LYS 120 Ca 0.07 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.37 1wta n LYS 120 Cb 0.55 -0.49 0.13 0.00 -0.65 0.00 0.00 35.03 34.58 1wta n LYS 120 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1wta n ASN 121 N -0.19 1.59 -0.23 -5.58 5.15 -1.26 -4.76 115.26 109.98 1wta n ASN 121 Ca 0.00 -3.21 0.12 0.00 -0.60 0.00 0.00 54.58 50.89 1wta n ASN 121 Cb 0.00 -0.44 0.26 0.00 -0.53 0.00 0.00 39.78 39.07 1wta n ASN 121 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wta n ARG 122 N -0.54 0.70 0.00 1.20 5.12 -1.26 -4.95 116.66 116.93 1wta n ARG 122 Ca 0.15 -0.46 0.00 0.00 -1.93 0.00 0.00 57.85 55.61 1wta n ARG 122 Cb 0.86 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 1wta n ARG 122 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1wta n ARG 123 N -0.75 0.00 -3.74 5.56 5.12 -1.26 -4.75 116.66 116.83 1wta n ARG 123 Ca 0.10 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.86 1wta n ARG 123 Cb 0.36 -0.07 -0.16 0.00 -1.16 0.00 0.00 32.46 31.43 1wta n ARG 123 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1wta s HIS 124 N 0.00 0.02 -0.65 -1.55 3.76 -1.26 -5.02 115.29 110.58 1wta s HIS 124 Ca 0.00 0.19 0.11 0.00 -0.15 0.00 0.00 55.06 55.21 1wta s HIS 124 Cb 0.00 -0.28 0.32 0.00 1.11 0.00 0.00 32.58 33.72 1wta s HIS 124 CO 0.00 -0.12 1.26 0.66 -0.85 0.00 0.00 174.74 175.69 1wta n TYR 125 N 4.46 0.49 -3.50 1.40 4.01 -1.26 -4.78 117.16 117.98 1wta n TYR 125 Ca -0.22 -0.59 -0.09 0.00 -0.16 0.00 0.00 57.90 56.84 1wta n TYR 125 Cb 0.50 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.42 1wta n TYR 125 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1wta s THR 126 N -1.41 0.00 -0.53 -0.72 -1.32 -1.26 -4.70 115.64 105.69 1wta s THR 126 Ca 0.25 -0.05 0.24 0.00 -1.21 0.00 0.00 61.69 60.91 1wta s THR 126 Cb 0.16 -1.07 0.03 0.00 -1.51 0.00 0.00 72.50 70.10 1wta s THR 126 CO 0.12 0.00 1.23 -0.26 -2.21 0.00 0.00 174.62 173.50 1wta h PHE 127 N 2.00 0.00 -3.35 9.09 0.04 -1.94 -3.46 116.94 119.32 1wta h PHE 127 Ca -0.25 0.00 -0.72 0.00 2.80 0.00 0.00 57.97 59.80 1wta h PHE 127 Cb 1.26 0.00 -0.31 0.00 2.20 0.00 0.00 35.95 39.10 1wta h PHE 127 CO 0.26 0.00 -0.41 0.71 -0.60 0.00 0.00 178.31 178.27 1wta s TYR 128 N -3.22 3.46 -1.53 -0.55 2.02 -1.26 -4.87 117.35 111.40 1wta s TYR 128 Ca 0.04 -2.01 0.16 0.00 -0.37 0.00 0.00 57.07 54.90 1wta s TYR 128 Cb 0.12 -3.45 0.38 0.00 -0.40 0.00 0.00 41.96 38.62 1wta s TYR 128 CO 0.74 -0.99 1.30 -0.25 -1.57 0.00 0.00 175.55 174.79 1wta n ASP 129 N 4.79 3.15 0.00 2.29 8.00 -1.26 -4.67 116.55 128.85 1wta n ASP 129 Ca -0.06 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1wta n ASP 129 Cb 0.41 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1wta n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wta n GLY 130 N 0.99 2.29 0.00 0.44 0.00 -1.26 -4.96 105.19 102.69 1wta n GLY 130 Ca 0.15 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.35 1wta n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wta n PRO 131 N 0.88 0.51 -3.33 1.61 -0.04 -1.26 -4.99 135.00 128.39 1wta n PRO 131 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.04 1wta n PRO 131 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 1wta n PRO 131 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wta s VAL 132 N -2.49 5.09 0.01 0.52 1.01 -1.26 -5.03 120.40 118.25 1wta s VAL 132 Ca 0.31 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1wta s VAL 132 Cb 0.20 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1wta s VAL 132 CO 0.45 -0.37 1.07 -0.89 0.00 0.00 0.00 175.10 175.36 1wta s THR 133 N 2.13 4.54 -0.11 3.92 2.01 -1.26 -4.66 115.64 122.21 1wta s THR 133 Ca 0.12 1.82 0.01 0.00 0.31 0.00 0.00 61.69 63.95 1wta s THR 133 Cb -0.17 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.19 1wta s THR 133 CO 0.13 0.12 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.37 1wta s VAL 134 N 1.22 1.28 -0.48 3.82 1.01 -1.26 -0.42 120.40 125.57 1wta s VAL 134 Ca 0.54 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1wta s VAL 134 Cb -0.24 -1.21 0.14 0.00 0.00 0.00 0.00 36.38 35.07 1wta s VAL 134 CO 0.27 0.40 0.27 -1.00 0.00 0.00 0.00 175.10 175.04 1wta s HIS 135 N 1.22 2.38 0.28 5.22 3.76 0.12 -4.95 115.29 123.32 1wta s HIS 135 Ca -0.03 -2.69 -0.29 0.00 -0.15 0.00 0.00 55.06 51.90 1wta s HIS 135 Cb -0.14 -2.15 -0.09 0.00 1.11 0.00 0.00 32.58 31.30 1wta s HIS 135 CO -0.04 -0.75 1.05 0.14 -0.85 0.00 0.00 174.74 174.29 1wta s VAL 136 N 0.02 3.66 -0.12 -0.90 -7.23 -1.26 -4.64 120.40 109.94 1wta s VAL 136 Ca 0.19 1.63 -0.29 0.00 -1.81 0.00 0.00 61.98 61.69 1wta s VAL 136 Cb -0.22 -4.02 -0.02 0.00 0.56 0.00 0.00 36.38 32.68 1wta s VAL 136 CO -0.02 0.36 1.23 -0.55 -0.31 0.00 0.00 175.10 175.80 1wta s SER 137 N -1.03 7.00 -0.14 4.85 0.15 -1.26 -4.91 113.70 118.36 1wta s SER 137 Ca 0.45 1.73 0.16 0.00 0.70 0.00 0.00 55.95 58.99 1wta s SER 137 Cb -0.29 -2.55 0.41 0.00 -1.71 0.00 0.00 66.02 61.88 1wta s SER 137 CO 0.37 -0.68 1.20 0.23 1.20 0.00 0.00 173.24 175.56 1wta n MET 138 N 6.00 1.06 -0.20 5.44 2.81 -1.26 -4.79 117.12 126.18 1wta n MET 138 Ca 0.13 -2.84 -0.00 0.00 -1.81 0.00 0.00 57.70 53.17 1wta n MET 138 Cb 0.45 -1.10 0.08 0.00 -0.71 0.00 0.00 33.22 31.94 1wta n MET 138 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wta h ALA 139 N 0.94 0.49 -3.20 3.04 0.00 -2.01 -3.12 119.26 115.40 1wta h ALA 139 Ca -0.07 0.22 -0.65 0.00 0.00 0.00 0.00 54.91 54.40 1wta h ALA 139 Cb 1.28 0.40 -0.40 0.00 0.00 0.00 0.00 17.79 19.08 1wta h ALA 139 CO 0.03 -0.42 -0.51 -0.51 0.00 0.00 0.00 179.25 177.84 1wta s ASP 140 N -5.23 4.80 0.45 0.00 1.01 -1.26 -5.00 116.67 111.45 1wta s ASP 140 Ca -0.14 -3.31 0.27 0.00 0.71 0.00 0.00 52.55 50.08 1wta s ASP 140 Cb 0.19 -1.71 0.71 0.00 1.01 0.00 0.00 42.92 43.12 1wta s ASP 140 CO 0.73 -0.21 1.74 1.55 0.21 0.00 0.00 175.17 179.20 1wta h PRO 141 N 6.22 0.00 -6.31 8.23 0.13 -1.75 -3.44 132.00 135.08 1wta h PRO 141 Ca 0.02 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.65 1wta h PRO 141 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1wta h PRO 141 CO 0.72 0.00 -0.31 -0.06 -0.23 0.00 0.00 178.00 178.12 1wta s PHE 142 N -3.35 3.48 -0.39 1.56 0.08 -1.26 -4.92 117.98 113.18 1wta s PHE 142 Ca 0.05 0.28 -0.26 0.00 0.12 0.00 0.00 56.93 57.12 1wta s PHE 142 Cb 0.07 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1wta s PHE 142 CO 0.62 0.31 0.93 0.00 -0.10 0.00 0.00 175.22 176.98 1wta h GLU 144 N 8.62 1.03 -0.03 0.00 4.57 -1.79 -0.78 114.58 126.20 1wta h GLU 144 Ca -0.23 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 57.72 1wta h GLU 144 Cb 1.08 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.49 1wta h GLU 144 CO 1.00 0.94 -0.23 0.22 -1.18 0.00 0.00 179.01 179.76 1wta h ASP 145 N 0.97 -0.69 -0.36 1.04 1.82 -1.55 -1.16 116.42 116.49 1wta h ASP 145 Ca 0.20 0.10 -0.14 0.00 -0.39 0.00 0.00 57.03 56.80 1wta h ASP 145 Cb 0.41 0.29 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 1wta h ASP 145 CO 0.01 -0.30 -0.29 0.25 -1.61 0.00 0.00 179.24 177.31 1wta h LEU 146 N -0.35 0.91 -0.42 2.28 5.85 -1.76 -2.26 115.31 119.57 1wta h LEU 146 Ca 0.07 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.51 1wta h LEU 146 Cb 0.45 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 1wta h LEU 146 CO -0.23 1.13 -0.11 0.03 -0.34 0.00 0.00 178.44 178.92 1wta h ARG 147 N 0.74 -0.01 -0.05 1.25 3.08 -0.89 -0.62 114.38 117.89 1wta h ARG 147 Ca 0.09 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 1wta h ARG 147 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1wta h ARG 147 CO 0.07 -0.01 -0.46 1.96 -1.07 0.00 0.00 179.97 180.47 1wta h GLN 148 N -0.01 0.11 -0.50 0.04 1.08 -1.05 -1.49 115.11 113.29 1wta h GLN 148 Ca 0.20 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.24 1wta h GLN 148 Cb 0.32 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1wta h GLN 148 CO -0.43 0.55 -0.09 0.00 -0.95 0.00 0.00 178.83 177.90 1wta h ARG 149 N 0.09 0.96 -0.59 1.46 3.08 -0.84 -0.09 114.38 118.45 1wta h ARG 149 Ca 0.00 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 1wta h ARG 149 Cb 0.85 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1wta h ARG 149 CO 0.06 1.02 0.24 -0.07 -1.07 0.00 0.00 179.97 180.15 1wta h LEU 150 N 0.82 0.80 -0.34 3.04 3.38 -0.80 -1.80 115.31 120.41 1wta h LEU 150 Ca 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1wta h LEU 150 Cb 0.65 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1wta h LEU 150 CO 0.04 0.75 0.14 0.40 0.09 0.00 0.00 178.44 179.86 1wta h ILE 151 N 0.81 1.19 -0.71 1.22 2.04 -1.11 -2.37 117.51 118.57 1wta h ILE 151 Ca 0.20 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.55 1wta h ILE 151 Cb 0.20 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1wta h ILE 151 CO -0.02 0.20 0.40 0.44 0.00 0.00 0.00 178.15 179.18 1wta h ASP 152 N 0.40 0.60 -0.56 1.72 3.32 -0.90 -2.09 116.42 118.92 1wta h ASP 152 Ca 0.11 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1wta h ASP 152 Cb 0.18 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1wta h ASP 152 CO -0.01 0.39 0.25 0.28 -1.72 0.00 0.00 179.24 178.42 1wta h SER 153 N 0.74 0.75 -0.58 6.45 0.02 -1.08 -1.25 113.55 118.61 1wta h SER 153 Ca 0.32 -0.15 0.09 0.00 -0.84 0.00 0.00 61.79 61.21 1wta h SER 153 Cb 0.20 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1wta h SER 153 CO -0.19 0.70 0.19 1.23 -1.14 0.00 0.00 176.83 177.62 1wta h GLY 154 N 0.76 0.78 0.99 -3.77 0.00 -1.01 -1.06 103.07 99.78 1wta h GLY 154 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1wta h GLY 154 CO -0.02 -0.03 0.17 3.21 0.00 0.00 0.00 176.54 179.87 1wta h ARG 155 N 0.36 0.35 -0.78 4.80 3.08 -0.99 -0.03 114.38 121.17 1wta h ARG 155 Ca 0.29 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.38 1wta h ARG 155 Cb 0.36 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 1wta h ARG 155 CO -0.31 0.23 0.51 0.00 -1.07 0.00 0.00 179.97 179.33 1wta h ARG 156 N 0.36 0.81 -0.00 0.04 3.08 -0.65 -2.68 114.38 115.34 1wta h ARG 156 Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1wta h ARG 156 Cb -0.04 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1wta h ARG 156 CO -0.03 0.54 -0.49 1.28 -1.07 0.00 0.00 179.97 180.21 1wta n LEU 157 N -4.48 0.76 0.00 3.04 4.77 -0.45 -4.96 117.00 115.68 1wta n LEU 157 Ca 0.11 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1wta n LEU 157 Cb 0.22 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1wta n LEU 157 CO 0.33 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1wta n GLY 158 N 1.45 0.41 3.87 -0.72 0.00 -0.41 -5.05 105.19 104.74 1wta n GLY 158 Ca 0.07 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 1wta n GLY 158 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wta s TYR 159 N -2.00 3.50 -0.08 1.61 2.02 -0.16 -5.01 117.35 117.22 1wta s TYR 159 Ca 0.00 0.86 -0.30 0.00 -0.37 0.00 0.00 57.07 57.26 1wta s TYR 159 Cb 0.00 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 1wta s TYR 159 CO 0.00 0.37 1.48 0.99 -1.57 0.00 0.00 175.55 176.82 1wta s THR 160 N -1.65 3.82 -0.27 -0.71 2.01 -1.26 -4.36 115.64 113.22 1wta s THR 160 Ca 0.42 1.04 -0.01 0.00 0.31 0.00 0.00 61.69 63.45 1wta s THR 160 Cb -0.13 -3.67 0.09 0.00 0.01 0.00 0.00 72.50 68.80 1wta s THR 160 CO 0.21 -0.07 0.07 -0.69 -0.69 0.00 0.00 174.62 173.44 1wta s VAL 161 N 3.54 0.76 0.21 3.82 1.01 -1.26 -1.87 120.40 126.62 1wta s VAL 161 Ca 0.66 -1.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 1wta s VAL 161 Cb -0.29 -1.45 -0.11 0.00 0.00 0.00 0.00 36.38 34.52 1wta s VAL 161 CO 0.24 -0.51 1.65 -1.00 0.00 0.00 0.00 175.10 175.49 1wta s HIS 162 N 1.70 2.92 -2.42 5.22 3.76 -0.21 -4.89 115.29 121.38 1wta s HIS 162 Ca 0.06 0.51 0.23 0.00 -0.15 0.00 0.00 55.06 55.71 1wta s HIS 162 Cb -0.17 -4.07 0.74 0.00 1.11 0.00 0.00 32.58 30.19 1wta s HIS 162 CO -0.20 -3.92 1.56 0.39 -0.85 0.00 0.00 174.74 171.72 1wta n GLU 163 N 3.62 1.86 -3.92 1.40 1.02 -1.26 -1.28 120.64 122.08 1wta n GLU 163 Ca 0.14 -1.28 -0.09 0.00 -0.02 0.00 0.00 57.16 55.91 1wta n GLU 163 Cb 0.37 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1wta n GLU 163 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1wta s ARG 164 N -1.82 1.77 0.00 3.49 1.70 -1.24 -4.87 118.95 117.98 1wta s ARG 164 Ca 0.34 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 54.40 1wta s ARG 164 Cb 0.19 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 35.12 1wta s ARG 164 CO 0.29 -0.78 0.00 0.41 -1.08 0.00 0.00 175.30 174.14 1wta n GLY 165 N -0.45 3.35 3.47 3.88 0.00 -1.26 -4.66 105.19 109.53 1wta n GLY 165 Ca -0.03 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 1wta n GLY 165 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wta s THR 166 N -1.79 4.48 -0.37 2.61 2.01 -1.26 -1.56 115.64 119.76 1wta s THR 166 Ca 0.00 -0.12 -0.17 0.00 0.31 0.00 0.00 61.69 61.71 1wta s THR 166 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1wta s THR 166 CO 0.00 0.32 0.47 -0.47 -0.69 0.00 0.00 174.62 174.25 1wta s TYR 167 N 1.64 3.18 -0.25 4.92 6.04 -0.47 -1.12 117.35 131.29 1wta s TYR 167 Ca 0.06 0.02 -0.23 0.00 0.04 0.00 0.00 57.07 56.96 1wta s TYR 167 Cb -0.15 -2.88 -0.01 0.00 -1.04 0.00 0.00 41.96 37.87 1wta s TYR 167 CO 0.05 -0.56 0.77 0.54 -1.54 0.00 0.00 175.55 174.80 1wta s VAL 168 N 2.28 4.88 -0.34 3.14 0.11 -0.36 -0.93 120.40 129.18 1wta s VAL 168 Ca 0.16 1.43 -0.16 0.00 -2.93 0.00 0.00 61.98 60.48 1wta s VAL 168 Cb -0.16 -4.06 -0.01 0.00 -1.53 0.00 0.00 36.38 30.62 1wta s VAL 168 CO 0.13 -0.05 0.40 0.00 -3.33 0.00 0.00 175.10 172.26 1wta s ILE 170 N 2.12 4.41 -0.04 0.00 -4.36 -0.28 -0.32 121.20 122.74 1wta s ILE 170 Ca 0.14 -1.01 -0.25 0.00 -0.26 0.00 0.00 60.65 59.26 1wta s ILE 170 Cb -0.16 -3.53 -0.21 0.00 1.25 0.00 0.00 42.46 39.80 1wta s ILE 170 CO 0.12 -0.21 1.13 -0.08 0.24 0.00 0.00 174.94 176.14 1wta h GLU 171 N 0.99 0.10 0.00 0.37 4.57 -1.88 -3.39 114.58 115.34 1wta h GLU 171 Ca -0.48 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 1wta h GLU 171 Cb 1.25 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1wta h GLU 171 CO 0.55 0.73 0.00 0.41 -1.18 0.00 0.00 179.01 179.52 1wta n GLY 172 N 0.67 0.16 0.22 1.92 0.00 -1.26 -4.56 105.19 102.34 1wta n GLY 172 Ca -0.09 -0.98 0.15 0.00 0.00 0.00 0.00 46.02 45.09 1wta n GLY 172 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wta h PRO 173 N 0.00 0.00 -7.07 1.61 0.13 -2.01 -3.49 132.00 121.16 1wta h PRO 173 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1wta h PRO 173 Cb 0.00 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.27 1wta h PRO 173 CO 0.00 0.00 0.57 -0.98 -0.23 0.00 0.00 178.00 177.36 1wta s ARG 174 N -3.43 2.91 0.73 0.86 1.04 -1.26 -5.00 118.95 114.79 1wta s ARG 174 Ca 0.04 2.15 -0.11 0.00 -1.04 0.00 0.00 55.73 56.77 1wta s ARG 174 Cb 0.08 -2.09 0.03 0.00 -2.04 0.00 0.00 34.95 30.93 1wta s ARG 174 CO 0.56 -1.34 1.08 -0.06 -0.04 0.00 0.00 175.30 175.51 1wta s PHE 175 N -1.35 3.16 0.54 5.89 0.08 -1.26 -4.97 117.98 120.08 1wta s PHE 175 Ca 0.76 1.16 -0.22 0.00 0.12 0.00 0.00 56.93 58.75 1wta s PHE 175 Cb -0.39 -3.02 -0.05 0.00 -0.57 0.00 0.00 43.02 38.99 1wta s PHE 175 CO 0.44 -1.33 1.36 -1.12 -0.10 0.00 0.00 175.22 174.46 1wta s SER 176 N -4.11 5.28 0.88 1.36 0.01 -1.26 -5.04 113.70 110.82 1wta s SER 176 Ca 0.59 2.76 -0.12 0.00 1.31 0.00 0.00 55.95 60.49 1wta s SER 176 Cb -0.13 -2.64 0.12 0.00 0.21 0.00 0.00 66.02 63.59 1wta s SER 176 CO 0.53 -1.56 1.12 0.42 0.41 0.00 0.00 173.24 174.16 1wta s THR 177 N -1.31 2.40 0.22 1.44 -4.23 -1.26 -4.88 115.64 108.02 1wta s THR 177 Ca 0.71 0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 61.28 1wta s THR 177 Cb -0.40 -2.86 0.18 0.00 1.34 0.00 0.00 72.50 70.76 1wta s THR 177 CO 0.48 -0.17 1.81 0.03 -0.54 0.00 0.00 174.62 176.23 1wta h ARG 178 N -1.38 1.23 -0.50 3.99 3.08 -1.97 -1.28 114.38 117.55 1wta h ARG 178 Ca -0.49 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.27 1wta h ARG 178 Cb 1.31 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1wta h ARG 178 CO 0.61 0.95 -0.07 0.00 -1.07 0.00 0.00 179.97 180.38 1wta h ALA 179 N 1.22 0.93 -0.27 0.04 0.00 -1.99 -0.48 119.26 118.70 1wta h ALA 179 Ca 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wta h ALA 179 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1wta h ALA 179 CO -0.04 0.63 0.03 0.93 0.00 0.00 0.00 179.25 180.81 1wta h GLU 180 N 0.81 0.45 -0.69 0.00 5.08 -1.90 -2.70 114.58 115.64 1wta h GLU 180 Ca 0.14 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1wta h GLU 180 Cb 0.58 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1wta h GLU 180 CO 0.04 0.58 0.36 1.03 -1.00 0.00 0.00 179.01 180.02 1wta h SER 181 N 0.26 0.86 -0.86 1.42 0.87 -0.86 -0.70 113.55 114.55 1wta h SER 181 Ca 0.08 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1wta h SER 181 Cb 0.35 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 1wta h SER 181 CO 0.01 0.71 0.50 -0.09 -0.53 0.00 0.00 176.83 177.43 1wta h ARG 182 N 0.97 1.18 -0.16 2.24 2.43 -1.04 -0.18 114.38 119.83 1wta h ARG 182 Ca 0.24 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1wta h ARG 182 Cb 0.05 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1wta h ARG 182 CO -0.04 0.85 -0.00 0.28 -1.51 0.00 0.00 179.97 179.55 1wta h VAL 183 N 1.20 1.26 -0.52 0.20 2.07 -0.89 0.79 116.25 120.35 1wta h VAL 183 Ca 0.31 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1wta h VAL 183 Cb -0.02 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1wta h VAL 183 CO -0.05 0.25 0.30 -0.50 0.02 0.00 0.00 177.57 177.59 1wta h TRP 184 N 0.02 0.57 0.02 1.57 -0.00 -0.81 -0.39 115.95 116.93 1wta h TRP 184 Ca 0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.95 1wta h TRP 184 Cb 0.38 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 29.36 1wta h TRP 184 CO 0.04 0.32 -0.01 -0.22 -0.00 0.00 0.00 178.44 178.56 1wta h LYS 185 N 0.60 -0.03 0.00 0.49 3.64 -0.98 -0.90 116.57 119.39 1wta h LYS 185 Ca 0.21 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.37 1wta h LYS 185 Cb 0.04 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1wta h LYS 185 CO -0.10 0.67 -1.81 -0.25 -2.27 0.00 0.00 179.45 175.69 1wta n ASP 186 N -4.70 0.51 -0.12 4.20 8.00 0.26 -3.08 116.55 121.62 1wta n ASP 186 Ca -0.08 0.23 -0.23 0.00 0.71 0.00 0.00 54.79 55.42 1wta n ASP 186 Cb 0.34 0.59 -0.08 0.00 -0.02 0.00 0.00 41.12 41.95 1wta n ASP 186 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wta n VAL 187 N -2.80 1.52 0.20 2.53 0.31 -0.78 -4.51 118.33 114.80 1wta n VAL 187 Ca -0.17 -0.20 0.09 0.00 -0.01 0.00 0.00 64.34 64.05 1wta n VAL 187 Cb 0.93 -2.03 0.17 0.00 -0.91 0.00 0.00 33.84 32.01 1wta n VAL 187 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1wta h PHE 188 N -1.00 0.00 -4.64 3.52 -1.00 -1.17 -3.48 116.94 109.18 1wta h PHE 188 Ca -0.47 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 59.93 1wta h PHE 188 Cb 1.39 0.00 0.08 0.00 3.61 0.00 0.00 35.95 41.03 1wta h PHE 188 CO -0.15 0.18 -0.59 1.63 -1.61 0.00 0.00 178.31 177.77 1wta n LYS 189 N -3.16 -5.58 -1.81 1.51 5.02 -0.88 -5.00 118.16 108.27 1wta n LYS 189 Ca 0.03 0.82 -0.32 0.00 -2.02 0.00 0.00 58.31 56.82 1wta n LYS 189 Cb 0.58 -5.60 0.04 0.00 -0.02 0.00 0.00 35.03 30.02 1wta n LYS 189 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wta s ALA 190 N -3.19 2.58 -0.20 7.82 0.00 -0.40 -4.88 121.76 123.49 1wta s ALA 190 Ca 0.37 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1wta s ALA 190 Cb -0.17 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 1wta s ALA 190 CO 0.46 -1.13 -0.16 -0.25 0.00 0.00 0.00 175.76 174.69 1wta n ASP 191 N -2.43 2.23 -4.23 0.00 8.00 -0.27 -4.62 116.55 115.23 1wta n ASP 191 Ca 0.09 -0.10 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 1wta n ASP 191 Cb 0.53 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.33 1wta n ASP 191 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1wta s ILE 192 N -2.41 0.60 -0.02 0.53 -4.36 -0.88 -1.04 121.20 113.62 1wta s ILE 192 Ca -0.26 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.16 1wta s ILE 192 Cb 0.07 -2.09 0.02 0.00 1.25 0.00 0.00 42.46 41.71 1wta s ILE 192 CO 0.50 -0.49 0.02 -0.51 0.24 0.00 0.00 174.94 174.69 1wta s ILE 193 N -3.71 0.02 0.06 8.37 2.07 -0.11 -1.23 121.20 126.67 1wta s ILE 193 Ca 0.23 0.13 -0.00 0.00 -1.41 0.00 0.00 60.65 59.60 1wta s ILE 193 Cb 0.06 -0.12 0.00 0.00 0.13 0.00 0.00 42.46 42.54 1wta s ILE 193 CO 0.03 0.09 0.09 0.61 -1.91 0.00 0.00 174.94 173.85 1wta n GLY 194 N 3.93 2.90 0.00 1.50 0.00 -0.77 -0.74 105.19 112.01 1wta n GLY 194 Ca -0.24 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1wta n GLY 194 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wta n MET 195 N -0.10 3.94 0.00 1.61 2.81 -1.26 -1.13 117.12 122.99 1wta n MET 195 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 1wta n MET 195 Cb 0.10 -0.60 -0.06 0.00 -0.71 0.00 0.00 33.22 31.95 1wta n MET 195 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1wta n THR 196 N -0.96 0.00 -0.36 2.03 -2.24 -1.26 -4.63 114.28 106.85 1wta n THR 196 Ca 0.00 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 1wta n THR 196 Cb 0.00 1.01 0.12 0.00 -2.10 0.00 0.00 70.33 69.37 1wta n THR 196 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1wta h LEU 197 N 0.13 1.13 -8.91 3.22 6.46 -1.96 -3.38 115.31 111.99 1wta h LEU 197 Ca 0.00 -0.03 -0.67 0.00 -0.12 0.00 0.00 57.88 57.06 1wta h LEU 197 Cb 0.29 -0.28 -0.22 0.00 -0.73 0.00 0.00 40.66 39.72 1wta h LEU 197 CO 0.00 0.82 -0.72 -0.69 -0.62 0.00 0.00 178.44 177.23 1wta s VAL 198 N -6.09 3.44 -1.47 1.05 1.01 -1.26 -1.24 120.40 115.83 1wta s VAL 198 Ca -0.13 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.39 1wta s VAL 198 Cb 0.18 -2.42 0.37 0.00 0.00 0.00 0.00 36.38 34.51 1wta s VAL 198 CO 0.82 0.56 1.22 -0.81 0.00 0.00 0.00 175.10 176.89 1wta n PRO 199 N 2.72 2.30 -0.22 2.72 -0.04 -1.26 -4.97 135.00 136.24 1wta n PRO 199 Ca -0.18 -1.45 0.01 0.00 -0.04 0.00 0.00 63.50 61.84 1wta n PRO 199 Cb 0.53 -1.52 0.10 0.00 -0.04 0.00 0.00 33.50 32.56 1wta n PRO 199 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1wta h GLU 200 N 2.14 0.05 -0.40 0.54 4.81 -1.64 -1.63 114.58 118.46 1wta h GLU 200 Ca 0.00 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1wta h GLU 200 Cb 0.79 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1wta h GLU 200 CO 0.10 0.04 -0.29 0.97 -0.73 0.00 0.00 179.01 179.09 1wta h ILE 201 N 0.06 1.27 -0.36 2.32 2.10 -1.49 -1.61 117.51 119.80 1wta h ILE 201 Ca 0.34 -1.45 0.07 0.00 1.08 0.00 0.00 64.86 64.90 1wta h ILE 201 Cb 0.55 1.28 -0.07 0.00 -1.09 0.00 0.00 36.82 37.49 1wta h ILE 201 CO -0.63 0.49 -0.10 0.78 -1.08 0.00 0.00 178.15 177.61 1wta h ASN 202 N 0.73 -0.35 -0.31 2.19 4.21 -1.60 -0.98 115.58 119.47 1wta h ASN 202 Ca 0.08 0.11 -0.15 0.00 1.21 0.00 0.00 56.30 57.55 1wta h ASN 202 Cb 0.85 0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 38.27 1wta h ASN 202 CO 0.07 -0.13 -0.37 -0.07 -1.29 0.00 0.00 177.43 175.65 1wta h LEU 203 N -0.01 0.91 -0.75 1.61 3.38 -1.11 -1.15 115.31 118.19 1wta h LEU 203 Ca 0.17 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1wta h LEU 203 Cb 0.27 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1wta h LEU 203 CO -0.38 1.17 0.34 0.00 0.09 0.00 0.00 178.44 179.67 1wta h ALA 204 N 0.87 0.97 -0.40 1.53 0.00 -1.06 -0.32 119.26 120.85 1wta h ALA 204 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1wta h ALA 204 Cb 0.94 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1wta h ALA 204 CO 0.09 0.56 0.08 0.00 0.00 0.00 0.00 179.25 179.98 1wta h GLU 206 N 0.51 0.00 -0.00 0.00 5.08 -0.93 -1.73 114.58 117.51 1wta h GLU 206 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1wta h GLU 206 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1wta h GLU 206 CO 0.00 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 1wta n ALA 207 N -2.50 2.66 -3.44 3.43 0.00 -0.15 -4.85 120.51 115.65 1wta n ALA 207 Ca -0.02 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 1wta n ALA 207 Cb 0.25 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.32 1wta n ALA 207 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wta n GLN 208 N -0.78 -6.87 -3.78 0.00 6.02 -0.65 -5.01 117.38 106.31 1wta n GLN 208 Ca 0.22 0.71 -0.30 0.00 -0.01 0.00 0.00 57.00 57.63 1wta n GLN 208 Cb 0.15 -5.41 -0.04 0.00 1.02 0.00 0.00 30.24 25.96 1wta n GLN 208 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wta s LEU 209 N -6.42 4.29 -0.65 1.08 1.43 -0.59 -4.52 118.68 113.30 1wta s LEU 209 Ca 0.50 0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 53.79 1wta s LEU 209 Cb -0.22 -3.13 0.08 0.00 0.03 0.00 0.00 46.19 42.95 1wta s LEU 209 CO 0.63 0.07 0.91 0.00 0.23 0.00 0.00 176.35 178.19 1wta s TYR 211 N 3.79 2.77 0.03 0.00 5.04 -1.26 -0.43 117.35 127.28 1wta s TYR 211 Ca 0.20 -0.84 -0.01 0.00 -2.44 0.00 0.00 57.07 53.99 1wta s TYR 211 Cb -0.18 -1.84 -0.02 0.00 0.35 0.00 0.00 41.96 40.26 1wta s TYR 211 CO 0.09 -0.33 -0.02 0.00 -1.34 0.00 0.00 175.55 173.95 1wta s ALA 212 N 0.52 0.19 -0.16 3.97 0.00 -0.80 -0.93 121.76 124.56 1wta s ALA 212 Ca -0.10 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 1wta s ALA 212 Cb -0.16 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1wta s ALA 212 CO 0.04 -0.22 -0.02 0.99 0.00 0.00 0.00 175.76 176.55 1wta s THR 213 N -2.12 4.03 -0.45 0.00 2.01 -1.26 -1.21 115.64 116.65 1wta s THR 213 Ca -0.10 -0.31 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 1wta s THR 213 Cb -0.05 -2.77 0.09 0.00 0.01 0.00 0.00 72.50 69.78 1wta s THR 213 CO -0.03 0.49 0.31 -0.22 -0.69 0.00 0.00 174.62 174.48 1wta s LEU 214 N 0.31 5.41 0.12 4.42 2.96 0.88 -4.09 118.68 128.69 1wta s LEU 214 Ca -0.03 -1.61 -0.06 0.00 -0.22 0.00 0.00 54.13 52.22 1wta s LEU 214 Cb -0.14 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 1wta s LEU 214 CO 0.03 -0.61 0.37 0.00 -1.32 0.00 0.00 176.35 174.81 1wta s ALA 215 N 1.44 3.79 -0.17 5.97 0.00 0.10 -1.57 121.76 131.32 1wta s ALA 215 Ca 0.04 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1wta s ALA 215 Cb -0.24 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.76 1wta s ALA 215 CO 0.02 0.65 -0.17 1.41 0.00 0.00 0.00 175.76 177.67 1wta s MET 216 N -2.44 2.68 0.07 0.00 1.75 0.59 -0.48 119.30 121.47 1wta s MET 216 Ca 0.38 -0.74 -0.31 0.00 -1.25 0.00 0.00 55.69 53.77 1wta s MET 216 Cb -0.13 -2.40 -0.08 0.00 2.84 0.00 0.00 34.83 35.07 1wta s MET 216 CO 0.23 -0.24 1.53 0.08 -0.65 0.00 0.00 175.02 175.97 1wta s VAL 217 N 1.36 3.22 -0.13 10.11 1.01 -0.19 -1.89 120.40 133.89 1wta s VAL 217 Ca 0.04 0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.83 1wta s VAL 217 Cb -0.13 -3.46 -0.12 0.00 0.00 0.00 0.00 36.38 32.67 1wta s VAL 217 CO -0.12 0.01 0.24 0.35 0.00 0.00 0.00 175.10 175.58 1wta n THR 218 N 4.50 0.00 -3.81 3.92 -2.24 -0.35 -0.74 114.28 115.56 1wta n THR 218 Ca 0.14 -0.23 -0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1wta n THR 218 Cb 0.41 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1wta n THR 218 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1wta s ASP 219 N -2.61 -0.07 -0.35 3.42 -4.77 -1.26 -4.69 116.67 106.34 1wta s ASP 219 Ca -0.01 -0.53 0.07 0.00 -3.30 0.00 0.00 52.55 48.78 1wta s ASP 219 Cb 0.06 0.47 0.52 0.00 -1.09 0.00 0.00 42.92 42.88 1wta s ASP 219 CO 0.35 -0.90 1.56 -1.22 0.70 0.00 0.00 175.17 175.65 1wta n TYR 220 N -0.59 1.71 0.00 2.11 4.01 -1.26 0.11 117.16 123.26 1wta n TYR 220 Ca -0.05 -1.82 0.00 0.00 -0.16 0.00 0.00 57.90 55.87 1wta n TYR 220 Cb 0.60 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1wta n TYR 220 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1wta n ASP 221 N -1.08 0.00 -0.27 7.72 2.03 -1.26 -1.00 116.55 122.70 1wta n ASP 221 Ca 0.41 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.85 1wta n ASP 221 Cb 1.10 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 41.93 1wta n ASP 221 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1wta n VAL 222 N 0.00 0.00 0.10 5.18 0.24 -1.26 -1.25 118.33 121.34 1wta n VAL 222 Ca 0.00 -0.14 0.10 0.00 -2.04 0.00 0.00 64.34 62.26 1wta n VAL 222 Cb 0.00 0.36 -0.01 0.00 -1.47 0.00 0.00 33.84 32.72 1wta n VAL 222 CO 0.00 0.00 0.00 -0.50 -2.14 0.00 0.00 176.83 174.19 1wta h TRP 223 N 1.32 0.00 -3.94 6.34 4.06 -1.40 -3.43 115.95 118.90 1wta h TRP 223 Ca 0.00 0.00 -0.44 0.00 2.06 0.00 0.00 58.89 60.51 1wta h TRP 223 Cb 0.49 0.00 0.17 0.00 -1.00 0.00 0.00 29.16 28.82 1wta h TRP 223 CO 0.00 0.07 0.40 0.00 -3.56 0.00 0.00 178.44 175.35 1wta s ALA 224 N -3.31 2.06 0.14 1.49 0.00 -1.26 -4.98 121.76 115.91 1wta s ALA 224 Ca -0.01 -1.22 -0.18 0.00 0.00 0.00 0.00 51.96 50.55 1wta s ALA 224 Cb 0.09 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.46 1wta s ALA 224 CO 0.79 -2.60 1.74 -0.44 0.00 0.00 0.00 175.76 175.25 1wta h ASP 225 N -1.77 0.05 -3.30 0.00 3.32 -1.98 -3.39 116.42 109.35 1wta h ASP 225 Ca -0.44 0.04 -0.62 0.00 0.02 0.00 0.00 57.03 56.03 1wta h ASP 225 Cb 1.23 0.05 -0.16 0.00 0.22 0.00 0.00 39.33 40.66 1wta h ASP 225 CO 0.36 0.06 -0.57 -0.60 -1.72 0.00 0.00 179.24 176.77 1wta s ARG 226 N -6.17 3.96 0.75 3.56 3.00 -1.26 -5.09 118.95 117.69 1wta s ARG 226 Ca -0.13 -0.35 -0.14 0.00 -1.00 0.00 0.00 55.73 54.10 1wta s ARG 226 Cb 0.11 -3.21 0.05 0.00 0.00 0.00 0.00 34.95 31.90 1wta s ARG 226 CO 0.70 0.26 1.18 -2.14 0.00 0.00 0.00 175.30 175.30 1wta s PRO 227 N 0.41 2.07 0.39 5.12 0.02 -1.26 -4.86 135.00 136.89 1wta s PRO 227 Ca 0.03 1.67 -0.25 0.00 0.02 0.00 0.00 61.00 62.47 1wta s PRO 227 Cb -0.13 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 1wta s PRO 227 CO 0.00 -1.87 1.00 1.55 -0.33 0.00 0.00 177.00 177.36 1wta n VAL 228 N -2.91 2.29 -4.29 3.83 3.14 -0.38 -5.02 118.33 114.99 1wta n VAL 228 Ca 0.13 -0.50 -0.16 0.00 -2.96 0.00 0.00 64.34 60.85 1wta n VAL 228 Cb 0.51 -1.11 -0.10 0.00 -1.06 0.00 0.00 33.84 32.07 1wta n VAL 228 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1wta s THR 229 N -1.23 1.16 0.25 1.55 -4.23 -1.26 -5.03 115.64 106.84 1wta s THR 229 Ca 0.62 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1wta s THR 229 Cb -0.59 -2.05 0.24 0.00 1.34 0.00 0.00 72.50 71.44 1wta s THR 229 CO 0.58 -0.58 1.88 0.00 -0.54 0.00 0.00 174.62 175.96 1wta h ALA 230 N 2.65 1.28 -0.63 3.99 0.00 -2.00 -1.85 119.26 122.69 1wta h ALA 230 Ca -0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1wta h ALA 230 Cb 1.20 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1wta h ALA 230 CO 0.64 0.42 0.35 1.49 0.00 0.00 0.00 179.25 182.14 1wta h GLU 231 N 1.13 0.89 -0.18 0.00 4.81 -1.99 -1.69 114.58 117.55 1wta h GLU 231 Ca 0.39 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1wta h GLU 231 Cb 0.10 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1wta h GLU 231 CO -0.15 0.67 0.11 1.49 -0.73 0.00 0.00 179.01 180.40 1wta h GLU 232 N 0.86 0.24 -0.12 1.92 4.81 -1.84 -0.90 114.58 119.55 1wta h GLU 232 Ca 0.22 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1wta h GLU 232 Cb 0.05 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1wta h GLU 232 CO -0.04 0.19 0.04 0.28 -0.73 0.00 0.00 179.01 178.76 1wta h VAL 233 N 0.21 0.97 -0.44 0.32 2.07 -1.13 -1.80 116.25 116.46 1wta h VAL 233 Ca 0.06 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 1wta h VAL 233 Cb 0.01 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1wta h VAL 233 CO -0.01 0.02 0.01 -0.08 0.02 0.00 0.00 177.57 177.53 1wta h GLU 234 N 0.10 0.71 -0.23 1.57 4.57 -1.26 -1.44 114.58 118.61 1wta h GLU 234 Ca 0.05 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 1wta h GLU 234 Cb 0.03 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1wta h GLU 234 CO -0.05 0.72 0.03 -0.09 -1.18 0.00 0.00 179.01 178.44 1wta h ARG 235 N 0.67 0.38 -0.33 1.92 2.43 -0.80 -1.51 114.38 117.14 1wta h ARG 235 Ca 0.14 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 1wta h ARG 235 Cb 0.40 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1wta h ARG 235 CO 0.01 0.52 -0.24 0.28 -1.51 0.00 0.00 179.97 179.04 1wta h VAL 236 N 0.18 1.27 -0.20 0.20 2.07 -1.20 -1.84 116.25 116.73 1wta h VAL 236 Ca 0.07 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 1wta h VAL 236 Cb 0.33 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1wta h VAL 236 CO 0.01 0.43 0.06 0.24 0.02 0.00 0.00 177.57 178.32 1wta h MET 237 N 0.57 0.31 -0.39 1.57 2.86 -1.09 -2.21 114.93 116.54 1wta h MET 237 Ca 0.08 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1wta h MET 237 Cb 0.71 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1wta h MET 237 CO 0.05 0.42 -0.17 0.82 1.06 0.00 0.00 176.91 179.10 1wta h ILE 238 N 0.14 1.26 0.00 -1.22 2.04 -1.22 -0.13 117.51 118.38 1wta h ILE 238 Ca 0.06 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 1wta h ILE 238 Cb 0.24 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1wta h ILE 238 CO -0.00 0.41 -0.09 0.28 0.00 0.00 0.00 178.15 178.75 1wta h SER 239 N 0.65 0.00 -0.09 1.72 0.02 -1.20 -3.17 113.55 111.49 1wta h SER 239 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1wta h SER 239 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1wta h SER 239 CO 0.05 0.09 0.00 0.59 -1.14 0.00 0.00 176.83 176.42 1wta n ASN 240 N -3.89 1.96 0.14 3.07 3.02 -0.78 -4.67 115.26 114.11 1wta n ASN 240 Ca -0.02 -1.56 0.03 0.00 -0.03 0.00 0.00 54.58 53.00 1wta n ASN 240 Cb 0.19 -0.05 0.39 0.00 -0.61 0.00 0.00 39.78 39.70 1wta n ASN 240 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1wta h VAL 241 N 1.37 1.19 -0.62 2.41 3.04 -1.02 -2.24 116.25 120.38 1wta h VAL 241 Ca 0.00 -0.86 -0.03 0.00 -1.01 0.00 0.00 66.70 64.80 1wta h VAL 241 Cb 0.43 1.32 -0.03 0.00 -2.01 0.00 0.00 31.29 31.00 1wta h VAL 241 CO 0.00 0.26 0.27 -0.08 -1.01 0.00 0.00 177.57 177.01 1wta h GLU 242 N 0.16 0.92 -0.43 4.17 4.57 -1.83 0.87 114.58 123.01 1wta h GLU 242 Ca 0.03 -0.15 -0.09 0.00 -1.18 0.00 0.00 59.36 57.97 1wta h GLU 242 Cb 0.43 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1wta h GLU 242 CO 0.03 0.76 -0.10 0.00 -1.18 0.00 0.00 179.01 178.52 1wta h ARG 243 N 0.87 0.76 -0.56 1.92 3.08 -1.78 -1.22 114.38 117.44 1wta h ARG 243 Ca 0.21 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1wta h ARG 243 Cb 0.17 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1wta h ARG 243 CO -0.02 0.83 0.37 0.00 -1.07 0.00 0.00 179.97 180.08 1wta h ALA 244 N 1.20 0.71 -0.77 0.04 0.00 -0.88 -1.92 119.26 117.65 1wta h ALA 244 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1wta h ALA 244 Cb 0.57 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1wta h ALA 244 CO 0.04 0.14 0.33 0.00 0.00 0.00 0.00 179.25 179.75 1wta h ARG 245 N 0.75 1.14 -0.68 0.00 3.08 -0.53 -1.03 114.38 117.12 1wta h ARG 245 Ca 0.21 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1wta h ARG 245 Cb -0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 1wta h ARG 245 CO -0.05 0.92 0.21 0.00 -1.07 0.00 0.00 179.97 179.98 1wta h ARG 246 N 1.11 1.03 -0.23 0.04 3.08 -0.83 0.71 114.38 119.29 1wta h ARG 246 Ca 0.26 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1wta h ARG 246 Cb 0.19 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1wta h ARG 246 CO -0.02 0.88 0.03 0.52 -1.07 0.00 0.00 179.97 180.31 1wta h MET 247 N 1.00 0.38 -0.16 0.04 2.86 -1.13 -1.80 114.93 116.12 1wta h MET 247 Ca 0.22 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1wta h MET 247 Cb 0.28 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1wta h MET 247 CO -0.01 0.53 0.06 1.25 1.06 0.00 0.00 176.91 179.81 1wta h LEU 248 N 0.17 0.08 -0.07 1.22 5.85 -0.36 -0.44 115.31 121.77 1wta h LEU 248 Ca 0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1wta h LEU 248 Cb 0.34 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1wta h LEU 248 CO 0.01 0.07 0.00 -1.22 -0.34 0.00 0.00 178.44 176.96 1wta n TYR 249 N -5.04 0.60 0.10 1.25 4.01 0.17 -1.72 117.16 116.53 1wta n TYR 249 Ca -0.04 0.18 -0.17 0.00 -0.16 0.00 0.00 57.90 57.72 1wta n TYR 249 Cb 0.06 -0.80 -0.13 0.00 -0.31 0.00 0.00 39.34 38.16 1wta n TYR 249 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1wta h ASP 250 N 0.00 0.51 0.09 7.72 3.58 -0.69 -3.39 116.42 124.24 1wta h ASP 250 Ca 0.00 -0.52 -0.19 0.00 0.42 0.00 0.00 57.03 56.74 1wta h ASP 250 Cb 0.61 -0.16 0.02 0.00 1.72 0.00 0.00 39.33 41.51 1wta h ASP 250 CO 0.00 1.39 -0.80 0.58 -2.88 0.00 0.00 179.24 177.53 1wta h VAL 251 N 0.11 1.45 -0.63 2.25 2.07 -0.76 -3.39 116.25 117.36 1wta h VAL 251 Ca -0.14 -2.36 0.04 0.00 0.82 0.00 0.00 66.70 65.06 1wta h VAL 251 Cb 1.93 2.91 -0.05 0.00 -1.52 0.00 0.00 31.29 34.57 1wta h VAL 251 CO 0.21 0.68 0.37 0.40 0.02 0.00 0.00 177.57 179.25 1wta h ILE 252 N -0.18 1.03 0.00 4.57 2.04 -1.52 -2.09 117.51 121.36 1wta h ILE 252 Ca -0.12 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1wta h ILE 252 Cb 1.56 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1wta h ILE 252 CO 0.15 0.13 0.04 -0.65 0.00 0.00 0.00 178.15 177.82 1wta h PRO 253 N 0.71 0.00 -0.50 2.37 0.11 -1.77 -1.23 132.00 131.69 1wta h PRO 253 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1wta h PRO 253 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1wta h PRO 253 CO -0.14 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.28 1wta n LYS 254 N -2.90 2.31 -0.77 1.05 5.02 -0.78 -4.17 118.16 117.91 1wta n LYS 254 Ca -0.03 -2.02 0.01 0.00 -2.02 0.00 0.00 58.31 54.25 1wta n LYS 254 Cb 0.10 -1.46 0.28 0.00 -0.02 0.00 0.00 35.03 33.93 1wta n LYS 254 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wta n LEU 255 N 1.17 4.96 0.19 -0.35 4.77 -0.46 -4.58 117.00 122.70 1wta n LEU 255 Ca 0.19 -3.22 0.04 0.00 -0.03 0.00 0.00 56.01 52.99 1wta n LEU 255 Cb 0.50 -0.65 0.44 0.00 -2.33 0.00 0.00 43.42 41.37 1wta n LEU 255 CO 0.14 0.82 0.84 0.00 -1.33 0.00 0.00 177.39 177.86 1wta h ALA 256 N 2.21 1.57 -3.07 -1.18 0.00 -1.75 -3.44 119.26 113.58 1wta h ALA 256 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wta h ALA 256 Cb 1.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1wta h ALA 256 CO 0.48 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1wta n GLY 257 N -0.82 0.12 3.85 0.00 0.00 -1.26 -5.10 105.19 101.98 1wta n GLY 257 Ca -0.02 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 43.94 1wta n GLY 257 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wta s GLU 258 N 0.25 3.12 0.55 1.61 0.41 -1.26 -5.02 118.70 118.37 1wta s GLU 258 Ca 0.00 -0.70 -0.22 0.00 -0.41 0.00 0.00 54.97 53.65 1wta s GLU 258 Cb 0.00 -2.81 -0.05 0.00 -1.78 0.00 0.00 34.13 29.50 1wta s GLU 258 CO 0.00 0.53 1.37 -2.14 -0.49 0.00 0.00 175.26 174.53 1wta s PRO 259 N -2.91 3.09 -0.22 0.39 0.02 -1.26 -4.95 135.00 129.16 1wta s PRO 259 Ca 0.32 2.25 -0.28 0.00 0.02 0.00 0.00 61.00 63.31 1wta s PRO 259 Cb -0.11 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.17 1wta s PRO 259 CO 0.25 -1.23 0.99 -1.21 -0.33 0.00 0.00 177.00 175.47 1wta s GLU 260 N -2.93 4.27 0.28 5.54 2.02 -1.26 -4.93 118.70 121.69 1wta s GLU 260 Ca 0.72 1.28 -0.00 0.00 0.02 0.00 0.00 54.97 56.99 1wta s GLU 260 Cb -0.41 -3.63 0.48 0.00 0.10 0.00 0.00 34.13 30.68 1wta s GLU 260 CO 0.48 -0.57 1.89 -0.07 0.02 0.00 0.00 175.26 177.02 1wta h LEU 261 N 9.20 0.97 -0.17 1.80 3.38 -1.92 0.53 115.31 129.09 1wta h LEU 261 Ca -0.21 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1wta h LEU 261 Cb 1.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1wta h LEU 261 CO 0.94 0.61 0.00 -1.84 0.09 0.00 0.00 178.44 178.24 1wta n GLU 262 N -4.51 0.08 -0.89 1.13 0.00 -1.26 -1.89 120.64 113.30 1wta n GLU 262 Ca 0.15 0.23 -0.01 0.00 0.00 0.00 0.00 57.16 57.53 1wta n GLU 262 Cb 0.21 -1.63 0.17 0.00 0.00 0.00 0.00 31.44 30.19 1wta n GLU 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wta n ARG 263 N -1.79 1.99 -3.44 3.44 1.74 0.11 -4.88 116.66 113.83 1wta n ARG 263 Ca 0.04 -3.44 -0.24 0.00 -0.77 0.00 0.00 57.85 53.44 1wta n ARG 263 Cb 0.26 -1.77 -0.11 0.00 -1.02 0.00 0.00 32.46 29.81 1wta n ARG 263 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wta h SER 265 N 7.46 0.15 -0.01 0.00 4.64 -1.81 -2.62 113.55 121.37 1wta h SER 265 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1wta h SER 265 Cb 1.01 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1wta h SER 265 CO 0.29 0.09 -0.58 0.00 -0.87 0.00 0.00 176.83 175.77 1wta n ARG 268 N -4.15 2.60 -0.35 0.00 5.12 -1.26 -4.83 116.66 113.79 1wta n ARG 268 Ca -0.03 -3.72 0.06 0.00 -1.93 0.00 0.00 57.85 52.24 1wta n ARG 268 Cb 0.17 -1.87 0.22 0.00 -1.16 0.00 0.00 32.46 29.82 1wta n ARG 268 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wta h ALA 269 N 1.87 1.44 0.00 7.54 0.00 -1.52 -2.10 119.26 126.49 1wta h ALA 269 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wta h ALA 269 Cb 1.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wta h ALA 269 CO 0.44 0.23 0.00 -0.07 0.00 0.00 0.00 179.25 179.85 1wta h LEU 270 N 0.98 0.00 -0.91 0.00 3.38 -1.89 -3.12 115.31 113.75 1wta h LEU 270 Ca 0.47 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.59 1wta h LEU 270 Cb 0.43 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 1wta h LEU 270 CO -0.25 0.00 0.52 0.44 0.09 0.00 0.00 178.44 179.24 1wta h ASP 271 N 0.00 0.68 0.00 -0.43 3.32 -1.79 -3.13 116.42 115.07 1wta h ASP 271 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1wta h ASP 271 Cb 0.38 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1wta h ASP 271 CO 0.00 0.30 -0.04 0.35 -1.72 0.00 0.00 179.24 178.12 1wta n THR 272 N -4.79 0.96 0.55 0.35 -2.24 -1.22 -4.76 114.28 103.12 1wta n THR 272 Ca 0.19 -1.05 0.10 0.00 -2.27 0.00 0.00 64.05 61.02 1wta n THR 272 Cb 0.44 0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 68.94 1wta n THR 272 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wta n ALA 273 N -0.60 3.89 -2.78 6.98 0.00 -1.18 -4.98 120.51 121.84 1wta n ALA 273 Ca 0.04 -0.55 -0.35 0.00 0.00 0.00 0.00 53.44 52.57 1wta n ALA 273 Cb 0.43 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 1wta n ALA 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wta s ALA 274 N -3.18 3.56 0.00 0.00 0.00 -1.25 -0.71 121.76 120.18 1wta s ALA 274 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1wta s ALA 274 Cb 0.15 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1wta s ALA 274 CO 0.87 0.62 0.16 -0.89 0.00 0.00 0.00 175.76 176.52