#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hta h SER -1 N 0.00 0.50 0.04 0.00 4.64 -1.94 0.61 113.55 117.39 2hta h SER -1 Ca 0.00 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2hta h SER -1 Cb 0.00 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2hta h SER -1 CO 0.00 0.67 -0.02 -0.74 -0.87 0.00 0.00 176.83 175.86 2hta h HIS 0 N 0.47 -0.06 -0.44 4.77 -0.00 -1.98 0.20 115.15 118.11 2hta h HIS 0 Ca 0.09 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.40 2hta h HIS 0 Cb 0.52 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 2hta h HIS 0 CO 0.02 -0.04 0.05 1.98 -0.00 0.00 0.00 177.93 179.94 2hta h MET 1 N -0.06 0.74 -0.26 5.26 1.85 -1.83 -2.39 114.93 118.24 2hta h MET 1 Ca -0.00 -0.21 -0.03 0.00 -0.61 0.00 0.00 59.70 58.85 2hta h MET 1 Cb 0.05 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 2hta h MET 1 CO 0.00 0.78 0.05 0.82 -0.40 0.00 0.00 176.91 178.16 2hta h ILE 2 N 0.59 1.23 -0.94 1.77 2.04 -0.78 -2.66 117.51 118.76 2hta h ILE 2 Ca 0.13 -0.76 0.17 0.00 1.00 0.00 0.00 64.86 65.40 2hta h ILE 2 Cb 0.41 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.63 2hta h ILE 2 CO 0.01 0.24 0.60 0.78 0.00 0.00 0.00 178.15 179.79 2hta h ASN 3 N 0.25 0.66 -0.73 1.72 2.35 -0.54 -0.79 115.58 118.50 2hta h ASN 3 Ca 0.08 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 2hta h ASN 3 Cb 0.32 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 2hta h ASN 3 CO 0.00 0.29 0.46 0.50 -1.65 0.00 0.00 177.43 177.03 2hta h LYS 4 N 0.68 0.86 -0.27 0.81 3.64 -1.09 -2.03 116.57 119.16 2hta h LYS 4 Ca 0.50 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.87 2hta h LYS 4 Cb 0.86 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 2hta h LYS 4 CO -0.25 0.57 0.03 0.82 -2.27 0.00 0.00 179.45 178.35 2hta h ILE 5 N 0.89 0.84 0.00 2.00 2.04 -0.88 -2.79 117.51 119.62 2hta h ILE 5 Ca 0.29 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.11 2hta h ILE 5 Cb 0.02 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2hta h ILE 5 CO -0.11 0.02 0.00 0.49 0.00 0.00 0.00 178.15 178.55 2hta n PHE 6 N -5.11 0.31 0.91 1.37 3.72 -0.98 -2.05 117.46 115.63 2hta n PHE 6 Ca -0.01 0.11 0.12 0.00 -0.05 0.00 0.00 57.45 57.63 2hta n PHE 6 Cb 0.13 -0.68 0.25 0.00 -0.94 0.00 0.00 39.48 38.24 2hta n PHE 6 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hta n ALA 7 N -1.60 3.35 -1.74 4.37 0.00 -0.80 -4.97 120.51 119.12 2hta n ALA 7 Ca 0.04 -0.32 -0.37 0.00 0.00 0.00 0.00 53.44 52.80 2hta n ALA 7 Cb 0.25 -1.15 0.05 0.00 0.00 0.00 0.00 19.45 18.60 2hta n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hta s LEU 8 N -3.26 3.66 0.51 0.00 1.43 -0.87 -4.96 118.68 115.19 2hta s LEU 8 Ca 0.10 2.52 -0.23 0.00 -1.03 0.00 0.00 54.13 55.49 2hta s LEU 8 Cb 0.17 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.76 2hta s LEU 8 CO 0.70 -1.74 1.39 -2.65 0.23 0.00 0.00 176.35 174.28 2hta n PRO 9 N -1.63 1.93 -2.24 1.29 -0.02 -1.26 -4.98 135.00 128.09 2hta n PRO 9 Ca 0.14 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.89 2hta n PRO 9 Cb 0.48 -2.60 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 2hta n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hta s VAL 10 N -1.25 3.95 -0.09 -1.45 1.01 -1.26 -4.58 120.40 116.73 2hta s VAL 10 Ca 0.67 1.17 -0.12 0.00 0.00 0.00 0.00 61.98 63.71 2hta s VAL 10 Cb -0.43 -3.76 -0.28 0.00 0.00 0.00 0.00 36.38 31.91 2hta s VAL 10 CO 0.53 -0.09 0.54 0.40 0.00 0.00 0.00 175.10 176.48 2hta h ILE 11 N 5.46 0.89 -3.46 2.22 2.04 -1.43 -3.47 117.51 119.75 2hta h ILE 11 Ca -0.33 -2.42 -0.25 0.00 1.00 0.00 0.00 64.86 62.86 2hta h ILE 11 Cb 1.14 2.67 -0.31 0.00 -0.74 0.00 0.00 36.82 39.58 2hta h ILE 11 CO 0.96 0.81 -0.66 -1.83 0.00 0.00 0.00 178.15 177.42 2hta s GLU 12 N -2.54 0.04 -0.41 2.37 -1.05 -1.02 -4.99 118.70 111.10 2hta s GLU 12 Ca -0.19 0.21 -0.23 0.00 -0.15 0.00 0.00 54.97 54.60 2hta s GLU 12 Cb 0.05 -0.13 0.02 0.00 -0.44 0.00 0.00 34.13 33.63 2hta s GLU 12 CO 0.80 -0.11 0.79 -1.14 0.95 0.00 0.00 175.26 176.55 2hta s GLN 13 N 0.74 3.59 -0.09 -4.83 2.00 -1.26 -0.55 119.66 119.26 2hta s GLN 13 Ca -0.06 0.12 -0.25 0.00 -2.00 0.00 0.00 55.36 53.17 2hta s GLN 13 Cb -0.08 -3.87 -0.29 0.00 0.80 0.00 0.00 33.01 29.57 2hta s GLN 13 CO -0.03 -0.99 0.85 -0.07 -0.50 0.00 0.00 175.29 174.55 2hta h LEU 14 N 9.96 0.25 -8.61 3.68 4.07 -0.97 -3.48 115.31 120.21 2hta h LEU 14 Ca -0.25 -0.96 -0.30 0.00 0.08 0.00 0.00 57.88 56.45 2hta h LEU 14 Cb 1.09 -0.08 -0.11 0.00 1.08 0.00 0.00 40.66 42.64 2hta h LEU 14 CO 0.94 1.19 -0.33 0.42 -1.08 0.00 0.00 178.44 179.58 2hta s THR 15 N -2.38 0.00 0.51 0.22 -4.23 -0.85 -4.98 115.64 103.92 2hta s THR 15 Ca -0.16 -1.75 0.28 0.00 -1.18 0.00 0.00 61.69 58.88 2hta s THR 15 Cb -0.01 -2.53 0.46 0.00 1.34 0.00 0.00 72.50 71.76 2hta s THR 15 CO 0.76 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 176.07 2hta h PRO 16 N 2.22 0.09 -0.00 3.99 0.11 -1.99 -2.77 132.00 133.65 2hta h PRO 16 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2hta h PRO 16 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2hta h PRO 16 CO 0.40 0.06 -0.15 1.33 -0.21 0.00 0.00 178.00 179.43 2hta n VAL 17 N -4.33 0.00 -5.07 3.15 0.24 -1.26 -4.96 118.33 106.09 2hta n VAL 17 Ca 0.19 -0.43 -0.32 0.00 -2.04 0.00 0.00 64.34 61.74 2hta n VAL 17 Cb 0.90 1.08 -0.16 0.00 -1.47 0.00 0.00 33.84 34.18 2hta n VAL 17 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2hta s LEU 18 N -1.44 2.21 0.10 1.34 1.43 -1.04 -0.63 118.68 120.64 2hta s LEU 18 Ca 0.06 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 2hta s LEU 18 Cb 0.06 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2hta s LEU 18 CO 0.18 0.15 -0.08 -0.94 0.23 0.00 0.00 176.35 175.89 2hta s SER 19 N 0.40 1.28 -0.16 2.29 1.04 -0.61 -0.25 113.70 117.69 2hta s SER 19 Ca -0.16 -0.90 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 2hta s SER 19 Cb -0.17 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 2hta s SER 19 CO 0.07 -0.36 0.08 -0.60 0.98 0.00 0.00 173.24 173.41 2hta s ARG 20 N -3.28 3.75 0.36 4.02 3.00 0.28 -0.37 118.95 126.71 2hta s ARG 20 Ca 0.08 -0.29 0.05 0.00 -1.00 0.00 0.00 55.73 54.57 2hta s ARG 20 Cb 0.01 -3.18 -0.03 0.00 0.00 0.00 0.00 34.95 31.75 2hta s ARG 20 CO -0.02 0.45 0.17 1.03 0.00 0.00 0.00 175.30 176.93 2hta s ARG 21 N -0.12 1.81 -0.05 5.12 0.52 -0.04 -0.99 118.95 125.20 2hta s ARG 21 Ca 0.08 -2.08 -0.03 0.00 -0.52 0.00 0.00 55.73 53.18 2hta s ARG 21 Cb -0.12 -0.26 0.02 0.00 0.52 0.00 0.00 34.95 35.12 2hta s ARG 21 CO 0.01 -0.52 0.12 -1.14 0.02 0.00 0.00 175.30 173.79 2hta s GLN 22 N -3.67 0.09 -0.13 3.54 0.74 -1.26 -0.56 119.66 118.42 2hta s GLN 22 Ca 0.31 0.25 -0.00 0.00 0.05 0.00 0.00 55.36 55.97 2hta s GLN 22 Cb 0.03 -0.07 0.02 0.00 1.10 0.00 0.00 33.01 34.09 2hta s GLN 22 CO 0.19 -0.10 -0.10 -1.17 -0.55 0.00 0.00 175.29 173.56 2hta s LEU 23 N 0.64 1.38 0.00 3.68 2.96 -0.43 -4.93 118.68 121.98 2hta s LEU 23 Ca -0.05 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2hta s LEU 23 Cb -0.07 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.66 2hta s LEU 23 CO -0.03 -0.09 0.00 -0.67 -1.32 0.00 0.00 176.35 174.24 2hta n ASP 24 N 4.86 0.00 0.22 3.68 -0.08 -1.26 -0.71 116.55 123.25 2hta n ASP 24 Ca -0.14 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.25 2hta n ASP 24 Cb 0.50 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.16 2hta n ASP 24 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2hta h ASP 25 N 0.00 0.00 -3.16 1.67 3.32 -1.65 -3.48 116.42 113.12 2hta h ASP 25 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 2hta h ASP 25 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 2hta h ASP 25 CO 0.00 0.06 -0.58 -0.76 -1.72 0.00 0.00 179.24 176.24 2hta s LEU 26 N -6.25 3.80 -0.01 1.55 1.43 0.11 -4.80 118.68 114.51 2hta s LEU 26 Ca 0.06 0.18 -0.25 0.00 -1.03 0.00 0.00 54.13 53.10 2hta s LEU 26 Cb 0.06 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2hta s LEU 26 CO 0.67 0.32 0.76 -1.81 0.23 0.00 0.00 176.35 176.52 2hta s ASP 27 N -0.52 7.13 0.08 2.29 1.01 -1.26 -1.32 116.67 124.08 2hta s ASP 27 Ca 0.10 1.36 0.09 0.00 0.71 0.00 0.00 52.55 54.80 2hta s ASP 27 Cb -0.12 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2hta s ASP 27 CO 0.02 -0.08 -0.21 -0.76 0.21 0.00 0.00 175.17 174.35 2hta s LEU 28 N 0.48 2.49 -0.21 1.23 1.43 0.28 -2.10 118.68 122.28 2hta s LEU 28 Ca 0.40 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 2hta s LEU 28 Cb -0.19 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 2hta s LEU 28 CO 0.21 0.22 -0.00 -0.63 0.23 0.00 0.00 176.35 176.38 2hta s ILE 29 N -0.98 3.90 -0.12 -0.59 -1.09 0.69 -0.86 121.20 122.14 2hta s ILE 29 Ca 0.15 -0.33 0.03 0.00 -2.23 0.00 0.00 60.65 58.27 2hta s ILE 29 Cb -0.10 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 2hta s ILE 29 CO 0.06 0.42 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.28 2hta s VAL 30 N 1.11 2.13 -0.37 2.92 1.01 0.50 -0.28 120.40 127.42 2hta s VAL 30 Ca 0.02 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 2hta s VAL 30 Cb -0.14 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 2hta s VAL 30 CO 0.01 0.55 0.27 -0.69 0.00 0.00 0.00 175.10 175.24 2hta s VAL 31 N 0.54 5.27 -0.46 2.92 1.01 0.69 -1.57 120.40 128.81 2hta s VAL 31 Ca -0.13 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2hta s VAL 31 Cb -0.17 -3.80 0.12 0.00 0.00 0.00 0.00 36.38 32.54 2hta s VAL 31 CO 0.04 -0.12 0.20 -0.62 0.00 0.00 0.00 175.10 174.60 2hta s ASP 32 N 1.71 4.58 0.14 3.32 -1.08 0.20 -1.67 116.67 123.87 2hta s ASP 32 Ca 0.06 -2.67 0.09 0.00 -0.52 0.00 0.00 52.55 49.51 2hta s ASP 32 Cb -0.18 -1.66 -0.04 0.00 -1.46 0.00 0.00 42.92 39.58 2hta s ASP 32 CO 0.10 -0.31 -0.21 -2.28 0.52 0.00 0.00 175.17 173.00 2hta s HIS 33 N 0.19 1.90 0.54 -5.34 5.65 0.08 -4.59 115.29 113.72 2hta s HIS 33 Ca 0.15 -0.43 0.28 0.00 0.25 0.00 0.00 55.06 55.31 2hta s HIS 33 Cb -0.23 -0.99 1.44 0.00 -1.18 0.00 0.00 32.58 31.62 2hta s HIS 33 CO -0.03 0.30 1.95 -1.35 -0.65 0.00 0.00 174.74 174.95 2hta h PRO 34 N 3.65 0.00 -0.00 2.88 0.11 -1.97 -1.28 132.00 135.39 2hta h PRO 34 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2hta h PRO 34 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2hta h PRO 34 CO 0.45 0.00 -0.78 1.04 -0.21 0.00 0.00 178.00 178.49 2hta n GLN 35 N -4.29 0.78 -3.63 1.05 1.13 -1.26 -4.79 117.38 106.37 2hta n GLN 35 Ca 0.13 -0.27 -0.10 0.00 -1.94 0.00 0.00 57.00 54.82 2hta n GLN 35 Cb 0.75 -1.42 -0.07 0.00 0.11 0.00 0.00 30.24 29.61 2hta n GLN 35 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2hta s VAL 36 N -2.69 0.00 -0.10 5.09 0.11 -0.48 -0.83 120.40 121.50 2hta s VAL 36 Ca 0.10 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.18 2hta s VAL 36 Cb 0.15 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2hta s VAL 36 CO 0.72 0.00 -0.19 -0.54 -3.33 0.00 0.00 175.10 171.76 2hta s LYS 37 N 0.16 3.03 0.10 1.54 1.02 -0.27 -0.74 119.74 124.57 2hta s LYS 37 Ca 0.02 -0.80 -0.11 0.00 0.02 0.00 0.00 55.97 55.11 2hta s LYS 37 Cb -0.05 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.87 2hta s LYS 37 CO -0.05 0.27 0.25 0.00 -0.92 0.00 0.00 175.35 174.90 2hta s ALA 38 N 0.15 -0.43 0.04 5.17 0.00 -0.67 -0.03 121.76 125.99 2hta s ALA 38 Ca -0.10 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 2hta s ALA 38 Cb -0.16 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.51 2hta s ALA 38 CO 0.06 -0.54 0.21 -1.54 0.00 0.00 0.00 175.76 173.95 2hta s SER 39 N -2.82 0.01 0.06 0.00 1.04 -0.81 -0.22 113.70 110.96 2hta s SER 39 Ca 0.04 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.14 2hta s SER 39 Cb 0.04 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 2hta s SER 39 CO -0.11 -0.57 -0.07 -0.36 0.98 0.00 0.00 173.24 173.12 2hta s PHE 40 N -2.58 0.70 -0.12 5.02 0.40 0.61 0.32 117.98 122.32 2hta s PHE 40 Ca -0.05 -0.70 -0.05 0.00 -0.60 0.00 0.00 56.93 55.53 2hta s PHE 40 Cb -0.01 -0.42 -0.04 0.00 0.51 0.00 0.00 43.02 43.06 2hta s PHE 40 CO -0.04 -0.14 0.06 0.00 0.70 0.00 0.00 175.22 175.80 2hta s ALA 41 N -2.40 3.52 0.33 5.36 0.00 -0.08 -0.22 121.76 128.26 2hta s ALA 41 Ca -0.01 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.24 2hta s ALA 41 Cb -0.03 -1.75 0.60 0.00 0.00 0.00 0.00 23.12 21.94 2hta s ALA 41 CO -0.02 0.50 1.94 -0.07 0.00 0.00 0.00 175.76 178.11 2hta h LEU 42 N 5.47 0.81 -9.11 0.00 3.38 -1.74 -0.41 115.31 113.71 2hta h LEU 42 Ca -0.49 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.92 2hta h LEU 42 Cb 1.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2hta h LEU 42 CO 0.60 0.53 1.24 -1.58 0.09 0.00 0.00 178.44 179.32 2hta s GLN 43 N -5.81 3.74 0.00 1.13 0.74 -1.26 -1.09 119.66 117.10 2hta s GLN 43 Ca -0.11 2.00 0.00 0.00 0.05 0.00 0.00 55.36 57.30 2hta s GLN 43 Cb 0.19 -4.14 0.00 0.00 1.10 0.00 0.00 33.01 30.16 2hta s GLN 43 CO 0.79 -1.39 0.00 0.41 -0.55 0.00 0.00 175.29 174.55 2hta n GLY 44 N 4.87 0.66 4.18 2.59 0.00 0.37 -3.66 105.19 114.20 2hta n GLY 44 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2hta n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hta n ALA 45 N 0.74 -2.16 -2.59 4.61 0.00 -1.02 -4.54 120.51 115.56 2hta n ALA 45 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 2hta n ALA 45 Cb 0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.04 2hta n ALA 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2hta s HIS 46 N -4.08 3.22 -0.17 0.00 5.04 -0.17 -4.89 115.29 114.23 2hta s HIS 46 Ca 0.16 -0.63 -0.29 0.00 -1.54 0.00 0.00 55.06 52.76 2hta s HIS 46 Cb -0.09 -2.86 -0.03 0.00 0.04 0.00 0.00 32.58 29.64 2hta s HIS 46 CO 0.94 -0.69 1.59 -1.17 -2.34 0.00 0.00 174.74 173.08 2hta s LEU 47 N 1.82 4.03 -0.15 8.88 2.96 -1.26 -0.90 118.68 134.07 2hta s LEU 47 Ca 0.07 1.79 0.11 0.00 -0.22 0.00 0.00 54.13 55.88 2hta s LEU 47 Cb -0.20 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.73 2hta s LEU 47 CO 0.10 -1.12 0.24 0.18 -1.32 0.00 0.00 176.35 174.42 2hta n LEU 48 N 7.94 1.10 -3.54 -0.68 4.77 0.15 -0.22 117.00 126.52 2hta n LEU 48 Ca 0.18 0.13 -0.18 0.00 -0.03 0.00 0.00 56.01 56.11 2hta n LEU 48 Cb 0.45 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2hta n LEU 48 CO 0.63 0.59 0.41 -0.94 -1.33 0.00 0.00 177.39 176.75 2hta s SER 49 N -6.04 -0.63 -0.15 -1.43 1.04 -1.15 -4.06 113.70 101.28 2hta s SER 49 Ca -0.14 0.69 -0.05 0.00 0.48 0.00 0.00 55.95 56.92 2hta s SER 49 Cb 0.07 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.81 2hta s SER 49 CO 0.78 -0.59 0.30 0.86 0.98 0.00 0.00 173.24 175.57 2hta s TRP 50 N -1.17 -0.51 -0.32 5.02 -0.00 -1.26 -1.93 118.94 118.78 2hta s TRP 50 Ca -0.11 1.08 -0.01 0.00 -0.00 0.00 0.00 56.10 57.06 2hta s TRP 50 Cb -0.00 0.03 0.10 0.00 -0.00 0.00 0.00 33.47 33.60 2hta s TRP 50 CO 0.09 -0.39 0.12 0.21 -0.00 0.00 0.00 176.95 176.98 2hta s LYS 51 N 2.46 0.64 0.44 5.86 2.20 0.96 -1.14 119.74 131.17 2hta s LYS 51 Ca 0.01 -1.03 -0.24 0.00 -0.36 0.00 0.00 55.97 54.35 2hta s LYS 51 Cb -0.12 -1.82 -0.08 0.00 -1.51 0.00 0.00 37.83 34.30 2hta s LYS 51 CO -0.10 -1.01 1.16 -1.25 -0.36 0.00 0.00 175.35 173.79 2hta s PRO 52 N 1.61 3.85 0.14 4.03 0.04 -1.26 -1.12 135.00 142.30 2hta s PRO 52 Ca 0.10 1.78 -0.35 0.00 0.04 0.00 0.00 61.00 62.58 2hta s PRO 52 Cb -0.18 -2.48 -0.15 0.00 0.04 0.00 0.00 34.50 31.73 2hta s PRO 52 CO -0.25 -0.48 1.44 1.55 0.04 0.00 0.00 177.00 179.30 2hta n VAL 53 N -0.32 0.16 0.00 -0.36 3.14 -0.01 -1.79 118.33 119.15 2hta n VAL 53 Ca 0.06 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2hta n VAL 53 Cb 0.48 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.06 2hta n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2hta n GLY 54 N 2.84 3.15 3.95 7.55 0.00 -1.26 -5.03 105.19 116.40 2hta n GLY 54 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2hta n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hta s GLU 55 N -0.32 3.41 0.74 1.61 0.41 -0.74 -5.10 118.70 118.70 2hta s GLU 55 Ca 0.00 -0.52 -0.11 0.00 -0.41 0.00 0.00 54.97 53.94 2hta s GLU 55 Cb 0.00 -2.73 0.03 0.00 -1.78 0.00 0.00 34.13 29.66 2hta s GLU 55 CO 0.00 0.18 1.07 -1.21 -0.49 0.00 0.00 175.26 174.82 2hta s GLU 56 N -4.23 2.58 0.15 1.61 0.41 -1.26 -4.76 118.70 113.20 2hta s GLU 56 Ca 0.39 1.01 -0.33 0.00 -0.41 0.00 0.00 54.97 55.64 2hta s GLU 56 Cb -0.09 -1.95 -0.17 0.00 -1.78 0.00 0.00 34.13 30.14 2hta s GLU 56 CO 0.34 -1.37 1.01 0.39 -0.49 0.00 0.00 175.26 175.14 2hta n GLU 57 N -3.32 0.72 0.00 1.61 -0.58 -1.26 -4.80 120.64 113.01 2hta n GLU 57 Ca 0.08 0.26 -0.19 0.00 -0.42 0.00 0.00 57.16 56.89 2hta n GLU 57 Cb 0.54 -1.65 -0.14 0.00 -0.57 0.00 0.00 31.44 29.62 2hta n GLU 57 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2hta n VAL 58 N 1.13 1.75 -3.81 2.62 0.31 -0.29 -4.64 118.33 115.41 2hta n VAL 58 Ca 0.16 -0.69 -0.35 0.00 -0.01 0.00 0.00 64.34 63.46 2hta n VAL 58 Cb 0.22 -1.60 -0.05 0.00 -0.91 0.00 0.00 33.84 31.50 2hta n VAL 58 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2hta s LEU 59 N -6.86 4.37 0.00 7.52 1.43 -1.25 -0.53 118.68 123.36 2hta s LEU 59 Ca -0.19 0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 53.26 2hta s LEU 59 Cb 0.07 -2.60 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 2hta s LEU 59 CO 0.78 0.27 0.44 0.86 0.23 0.00 0.00 176.35 178.93 2hta s TRP 60 N -1.28 3.72 -0.01 0.29 -0.00 -0.13 -4.48 118.94 117.05 2hta s TRP 60 Ca 0.26 1.03 0.03 0.00 -0.00 0.00 0.00 56.10 57.42 2hta s TRP 60 Cb -0.13 -2.34 -0.00 0.00 -0.00 0.00 0.00 33.47 30.99 2hta s TRP 60 CO 0.16 0.59 -0.09 -1.17 -0.00 0.00 0.00 176.95 176.44 2hta s LEU 61 N -0.93 1.95 -0.11 5.86 2.96 -1.26 -0.94 118.68 126.20 2hta s LEU 61 Ca 0.25 -0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 53.70 2hta s LEU 61 Cb -0.17 -0.47 -0.02 0.00 0.50 0.00 0.00 46.19 46.03 2hta s LEU 61 CO 0.14 0.09 1.20 -0.55 -1.32 0.00 0.00 176.35 175.91 2hta s SER 62 N -0.08 7.02 0.00 3.68 0.15 -0.79 -4.11 113.70 119.57 2hta s SER 62 Ca 0.02 1.72 0.16 0.00 0.70 0.00 0.00 55.95 58.55 2hta s SER 62 Cb -0.05 -2.55 0.95 0.00 -1.71 0.00 0.00 66.02 62.66 2hta s SER 62 CO -0.00 -0.65 1.41 -3.20 1.20 0.00 0.00 173.24 172.00 2hta n ASN 63 N 5.83 0.00 -0.14 5.45 5.15 -1.26 -2.61 115.26 127.67 2hta n ASN 63 Ca 0.12 -0.39 0.01 0.00 -0.60 0.00 0.00 54.58 53.73 2hta n ASN 63 Cb 0.46 -0.07 0.03 0.00 -0.53 0.00 0.00 39.78 39.67 2hta n ASN 63 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2hta n ASN 64 N -1.07 1.76 -4.75 1.20 4.13 -1.26 -5.00 115.26 110.28 2hta n ASN 64 Ca 0.11 -1.58 -0.40 0.00 1.68 0.00 0.00 54.58 54.39 2hta n ASN 64 Cb 0.07 -0.03 -0.04 0.00 -1.54 0.00 0.00 39.78 38.24 2hta n ASN 64 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2hta s THR 65 N -0.64 3.65 0.63 3.41 -1.32 -1.07 -4.48 115.64 115.82 2hta s THR 65 Ca 0.05 1.60 -0.18 0.00 -1.21 0.00 0.00 61.69 61.95 2hta s THR 65 Cb 0.03 -4.02 -0.02 0.00 -1.51 0.00 0.00 72.50 66.99 2hta s THR 65 CO 0.04 0.35 1.20 -2.84 -2.21 0.00 0.00 174.62 171.16 2hta s PRO 66 N -1.12 2.76 -0.77 7.08 0.02 -1.26 -4.99 135.00 136.72 2hta s PRO 66 Ca 0.45 1.78 0.03 0.00 0.02 0.00 0.00 61.00 63.28 2hta s PRO 66 Cb -0.31 -1.91 0.20 0.00 0.02 0.00 0.00 34.50 32.50 2hta s PRO 66 CO 0.38 -1.36 0.63 1.19 -0.33 0.00 0.00 177.00 177.52 2hta n PHE 67 N -1.93 3.59 -4.45 6.54 3.01 -1.26 -4.74 117.46 118.22 2hta n PHE 67 Ca 0.13 -4.21 -0.20 0.00 1.01 0.00 0.00 57.45 54.18 2hta n PHE 67 Cb 0.50 -0.79 -0.15 0.00 -0.01 0.00 0.00 39.48 39.03 2hta n PHE 67 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2hta s LYS 68 N -1.58 0.89 0.03 -1.08 -0.14 -1.26 -1.48 119.74 115.12 2hta s LYS 68 Ca 0.27 -0.44 -0.35 0.00 -1.36 0.00 0.00 55.97 54.09 2hta s LYS 68 Cb -0.03 -0.86 -0.14 0.00 -1.68 0.00 0.00 37.83 35.13 2hta s LYS 68 CO -0.14 0.23 1.64 2.41 -0.76 0.00 0.00 175.35 178.74 2hta n THR 69 N 2.67 0.20 -0.48 2.17 -1.04 -1.26 -1.61 114.28 114.93 2hta n THR 69 Ca -0.14 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2hta n THR 69 Cb 0.56 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 2hta n THR 69 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hta n GLY 70 N 3.63 1.92 3.68 3.41 0.00 -1.25 -5.00 105.19 111.58 2hta n GLY 70 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2hta n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hta s VAL 71 N -3.44 5.32 0.32 1.61 1.01 -0.64 -4.79 120.40 119.79 2hta s VAL 71 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 2hta s VAL 71 Cb 0.00 -3.58 -0.12 0.00 0.00 0.00 0.00 36.38 32.69 2hta s VAL 71 CO 0.00 0.34 1.55 0.00 0.00 0.00 0.00 175.10 176.99 2hta n ALA 72 N 4.13 2.43 -2.20 5.51 0.00 -1.26 -4.62 120.51 124.49 2hta n ALA 72 Ca -0.13 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.29 2hta n ALA 72 Cb 0.52 -2.44 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 2hta n ALA 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hta s LEU 73 N -0.91 4.53 -0.36 0.00 1.43 -1.26 -4.82 118.68 117.29 2hta s LEU 73 Ca 0.61 1.35 -0.15 0.00 -1.03 0.00 0.00 54.13 54.91 2hta s LEU 73 Cb -0.50 -3.03 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 2hta s LEU 73 CO 0.53 0.24 0.35 -0.60 0.23 0.00 0.00 176.35 177.10 2hta s ARG 74 N -1.19 3.43 0.00 1.70 6.06 -1.26 -4.89 118.95 122.79 2hta s ARG 74 Ca 0.31 -0.56 0.00 0.00 -2.50 0.00 0.00 55.73 52.98 2hta s ARG 74 Cb -0.20 -3.85 0.00 0.00 0.06 0.00 0.00 34.95 30.96 2hta s ARG 74 CO 0.21 -0.58 0.00 0.41 -2.50 0.00 0.00 175.30 172.84 2hta n GLY 75 N 5.02 0.02 7.00 8.12 0.00 -1.26 -1.89 105.19 122.21 2hta n GLY 75 Ca -0.10 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.64 2hta n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hta n GLY 76 N -0.22 2.69 2.87 -0.02 0.00 -0.12 -4.06 105.19 106.35 2hta n GLY 76 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 2hta n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hta s VAL 77 N 0.00 2.40 0.40 1.61 1.01 0.69 -1.15 120.40 125.36 2hta s VAL 77 Ca 0.00 -3.46 -0.26 0.00 0.00 0.00 0.00 61.98 58.26 2hta s VAL 77 Cb 0.00 -2.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 2hta s VAL 77 CO 0.00 -0.89 1.32 -2.84 0.00 0.00 0.00 175.10 172.68 2hta s PRO 78 N -0.52 4.00 -0.37 2.72 0.02 -1.26 -4.18 135.00 135.41 2hta s PRO 78 Ca 0.20 2.19 -0.14 0.00 0.02 0.00 0.00 61.00 63.27 2hta s PRO 78 Cb -0.18 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.54 2hta s PRO 78 CO -0.06 -0.48 0.30 0.42 -0.33 0.00 0.00 177.00 176.86 2hta s ILE 79 N -1.24 5.24 -0.42 2.83 1.01 -1.26 -1.25 121.20 126.10 2hta s ILE 79 Ca 0.56 -0.36 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 2hta s ILE 79 Cb -0.39 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.27 2hta s ILE 79 CO 0.50 -0.17 0.34 0.00 0.00 0.00 0.00 174.94 175.61 2hta s TRP 81 N 1.75 -0.52 -0.41 0.00 -0.00 -1.23 -1.43 118.94 117.11 2hta s TRP 81 Ca 0.06 1.24 0.09 0.00 -0.00 0.00 0.00 56.10 57.49 2hta s TRP 81 Cb -0.20 0.36 0.60 0.00 -0.00 0.00 0.00 33.47 34.23 2hta s TRP 81 CO 0.10 -0.27 1.49 -0.35 -0.00 0.00 0.00 176.95 177.92 2hta n PRO 82 N 2.16 3.55 -4.02 5.86 -0.04 -1.26 -1.64 135.00 139.60 2hta n PRO 82 Ca -0.13 -2.35 -0.12 0.00 -0.04 0.00 0.00 63.50 60.87 2hta n PRO 82 Cb 0.56 -2.04 -0.12 0.00 -0.04 0.00 0.00 33.50 31.86 2hta n PRO 82 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2hta s TRP 83 N -2.36 0.43 -0.15 0.54 -2.14 -0.89 -1.91 118.94 112.46 2hta s TRP 83 Ca 0.41 -0.42 -0.07 0.00 2.66 0.00 0.00 56.10 58.69 2hta s TRP 83 Cb 0.32 -0.27 -0.04 0.00 -3.10 0.00 0.00 33.47 30.38 2hta s TRP 83 CO 0.11 -0.11 0.08 0.12 -2.66 0.00 0.00 176.95 174.50 2hta s PHE 84 N -1.14 3.36 0.00 1.66 5.36 -1.22 -2.09 117.98 123.91 2hta s PHE 84 Ca -0.10 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2hta s PHE 84 Cb -0.08 -2.00 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 2hta s PHE 84 CO -0.00 0.40 0.00 0.41 -1.46 0.00 0.00 175.22 174.57 2hta n GLY 85 N 2.84 -0.97 3.66 13.12 0.00 -1.26 -4.72 105.19 117.86 2hta n GLY 85 Ca -0.18 -1.20 -0.44 0.00 0.00 0.00 0.00 46.02 44.20 2hta n GLY 85 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hta n PRO 86 N -0.09 1.92 -1.53 1.61 -0.02 -1.26 -0.09 135.00 135.54 2hta n PRO 86 Ca 0.00 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.82 2hta n PRO 86 Cb 0.00 -2.25 0.08 0.00 -0.02 0.00 0.00 33.50 31.30 2hta n PRO 86 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hta s ALA 87 N -0.62 2.23 0.22 3.55 0.00 -1.25 -4.87 121.76 121.01 2hta s ALA 87 Ca 0.62 0.74 0.06 0.00 0.00 0.00 0.00 51.96 53.38 2hta s ALA 87 Cb -0.64 -3.41 0.64 0.00 0.00 0.00 0.00 23.12 19.72 2hta s ALA 87 CO 0.56 -1.68 1.03 0.00 0.00 0.00 0.00 175.76 175.67 2hta n ALA 88 N -2.66 0.46 0.00 0.00 0.00 -1.26 -4.72 120.51 112.33 2hta n ALA 88 Ca 0.12 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.25 2hta n ALA 88 Cb 0.51 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.39 2hta n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hta n GLN 89 N -4.71 0.00 0.00 0.00 10.64 -1.26 -5.18 117.38 116.86 2hta n GLN 89 Ca 0.19 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 2hta n GLN 89 Cb 0.63 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.01 2hta n GLN 89 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2hta n GLN 90 N -0.93 0.00 0.02 2.61 10.64 -1.26 -4.59 117.38 123.87 2hta n GLN 90 Ca 0.00 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.30 2hta n GLN 90 Cb 0.00 0.00 0.40 0.00 -0.86 0.00 0.00 30.24 29.78 2hta n GLN 90 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2hta n GLY 91 N 0.00 -1.41 3.77 2.61 0.00 -1.26 -4.97 105.19 103.93 2hta n GLY 91 Ca 0.00 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2hta n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hta s LEU 92 N -3.28 4.16 0.79 0.99 1.43 -1.26 -5.00 118.68 116.51 2hta s LEU 92 Ca 0.12 2.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.88 2hta s LEU 92 Cb 0.17 -3.92 0.06 0.00 0.03 0.00 0.00 46.19 42.54 2hta s LEU 92 CO 0.63 -1.01 1.13 -2.16 0.23 0.00 0.00 176.35 175.17 2hta s PRO 93 N -2.34 2.18 0.69 1.29 0.04 -1.26 -4.44 135.00 131.15 2hta s PRO 93 Ca 0.59 0.35 -0.11 0.00 0.04 0.00 0.00 61.00 61.87 2hta s PRO 93 Cb -0.41 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2hta s PRO 93 CO 0.52 -1.49 1.07 -1.54 0.04 0.00 0.00 177.00 175.60 2hta s SER 94 N -4.30 5.57 -1.45 6.66 1.04 -1.26 -3.90 113.70 116.05 2hta s SER 94 Ca 0.61 1.30 -0.05 0.00 0.48 0.00 0.00 55.95 58.29 2hta s SER 94 Cb -0.12 -2.18 0.02 0.00 0.10 0.00 0.00 66.02 63.84 2hta s SER 94 CO 0.52 -1.28 0.48 1.41 0.98 0.00 0.00 173.24 175.35 2hta n HIS 95 N -2.99 -1.81 -4.35 5.02 8.25 0.87 -4.82 115.22 115.38 2hta n HIS 95 Ca 0.07 0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 2hta n HIS 95 Cb 0.56 -3.87 0.00 0.00 1.12 0.00 0.00 29.99 27.80 2hta n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hta n GLY 96 N -1.33 -0.28 0.00 -1.41 0.00 -0.89 -3.47 105.19 97.81 2hta n GLY 96 Ca -0.10 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2hta n GLY 96 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2hta n PHE 97 N 0.00 0.00 -0.14 1.61 -1.74 -0.72 -4.72 117.46 111.76 2hta n PHE 97 Ca 0.00 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 56.96 2hta n PHE 97 Cb 0.00 0.00 0.39 0.00 1.52 0.00 0.00 39.48 41.39 2hta n PHE 97 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2hta h ALA 98 N 0.00 1.75 0.00 1.98 0.00 -1.56 -1.99 119.26 119.43 2hta h ALA 98 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hta h ALA 98 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2hta h ALA 98 CO 0.00 0.15 0.00 2.89 0.00 0.00 0.00 179.25 182.29 2hta n ARG 99 N -4.47 0.05 0.00 0.00 1.85 -1.23 -3.21 116.66 109.65 2hta n ARG 99 Ca 0.09 0.16 0.07 0.00 -1.00 0.00 0.00 57.85 57.17 2hta n ARG 99 Cb 0.22 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.05 2hta n ARG 99 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2hta n ASN 100 N -1.46 0.77 -4.66 2.89 4.13 -0.75 -3.91 115.26 112.26 2hta n ASN 100 Ca 0.05 -0.88 -0.26 0.00 1.68 0.00 0.00 54.58 55.17 2hta n ASN 100 Cb 0.21 0.96 -0.08 0.00 -1.54 0.00 0.00 39.78 39.33 2hta n ASN 100 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2hta s LEU 101 N -2.64 3.31 0.10 3.41 1.43 -1.20 -3.84 118.68 119.26 2hta s LEU 101 Ca 0.06 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 2hta s LEU 101 Cb 0.11 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 2hta s LEU 101 CO 0.59 0.07 1.03 -2.16 0.23 0.00 0.00 176.35 176.11 2hta s PRO 102 N -3.06 4.61 0.23 1.29 0.04 -1.26 -0.48 135.00 136.37 2hta s PRO 102 Ca 0.28 1.56 0.07 0.00 0.04 0.00 0.00 61.00 62.94 2hta s PRO 102 Cb -0.09 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 2hta s PRO 102 CO 0.19 0.07 0.17 -1.58 0.04 0.00 0.00 177.00 175.88 2hta s TRP 103 N 0.27 3.09 0.15 0.56 0.52 -0.25 -4.90 118.94 118.38 2hta s TRP 103 Ca 0.50 -0.10 -0.07 0.00 0.02 0.00 0.00 56.10 56.45 2hta s TRP 103 Cb -0.25 -1.41 -0.06 0.00 -1.15 0.00 0.00 33.47 30.60 2hta s TRP 103 CO 0.31 0.53 0.42 0.00 0.02 0.00 0.00 176.95 178.23 2hta s ALA 104 N -2.06 3.73 -0.49 0.98 0.00 -0.48 -4.74 121.76 118.69 2hta s ALA 104 Ca 0.32 -0.46 -0.19 0.00 0.00 0.00 0.00 51.96 51.63 2hta s ALA 104 Cb -0.08 -2.22 0.05 0.00 0.00 0.00 0.00 23.12 20.87 2hta s ALA 104 CO 0.24 0.62 0.59 -1.17 0.00 0.00 0.00 175.76 176.04 2hta s LEU 105 N -2.59 4.99 -0.07 0.00 2.96 -1.26 -1.25 118.68 121.46 2hta s LEU 105 Ca 0.41 -0.89 -0.00 0.00 -0.22 0.00 0.00 54.13 53.43 2hta s LEU 105 Cb -0.12 -2.44 -0.26 0.00 0.50 0.00 0.00 46.19 43.88 2hta s LEU 105 CO 0.23 -0.84 0.55 0.50 -1.32 0.00 0.00 176.35 175.47 2hta h LYS 106 N 8.94 0.18 -3.13 1.98 3.64 -1.05 -3.49 116.57 123.65 2hta h LYS 106 Ca -0.27 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 58.73 2hta h LYS 106 Cb 1.10 0.12 -0.15 0.00 -0.41 0.00 0.00 32.23 32.89 2hta h LYS 106 CO 0.94 0.97 -0.06 0.00 -2.27 0.00 0.00 179.45 179.03 2hta s ALA 107 N -2.58 -1.05 0.13 5.00 0.00 -1.11 -5.00 121.76 117.15 2hta s ALA 107 Ca -0.14 0.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 2hta s ALA 107 Cb 0.07 0.51 0.07 0.00 0.00 0.00 0.00 23.12 23.77 2hta s ALA 107 CO 0.80 -0.55 0.67 -3.38 0.00 0.00 0.00 175.76 173.30 2hta s HIS 108 N -3.04 -0.49 0.13 0.00 -3.43 -1.26 -0.82 115.29 106.38 2hta s HIS 108 Ca -0.02 0.28 -0.14 0.00 -0.80 0.00 0.00 55.06 54.38 2hta s HIS 108 Cb 0.00 0.56 0.02 0.00 -1.43 0.00 0.00 32.58 31.74 2hta s HIS 108 CO -0.06 -0.80 0.37 0.54 -2.00 0.00 0.00 174.74 172.78 2hta s ASN 109 N -2.70 -0.14 0.05 7.38 2.20 -0.37 -4.99 114.94 116.36 2hta s ASN 109 Ca 0.02 -0.47 -0.03 0.00 -0.94 0.00 0.00 52.86 51.44 2hta s ASN 109 Cb -0.01 0.46 -0.02 0.00 -2.00 0.00 0.00 41.25 39.68 2hta s ASN 109 CO -0.11 -0.87 0.04 -1.83 -2.94 0.00 0.00 177.10 171.39 2hta s GLU 110 N -3.84 0.59 0.00 3.55 -1.05 -1.26 -0.84 118.70 115.84 2hta s GLU 110 Ca 0.06 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 53.95 2hta s GLU 110 Cb 0.02 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 2hta s GLU 110 CO -0.09 -0.13 0.00 -0.40 0.95 0.00 0.00 175.26 175.59 2hta n ASP 111 N 0.55 0.00 0.23 0.83 3.85 -0.63 -5.01 116.55 116.38 2hta n ASP 111 Ca -0.17 -0.37 0.16 0.00 -0.71 0.00 0.00 54.79 53.70 2hta n ASP 111 Cb 0.59 0.00 0.64 0.00 -1.35 0.00 0.00 41.12 41.00 2hta n ASP 111 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2hta h ASP 112 N 0.00 0.00 0.83 -1.12 3.32 -2.04 -3.09 116.42 114.32 2hta h ASP 112 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 2hta h ASP 112 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2hta h ASP 112 CO 0.00 0.00 -1.27 0.78 -1.72 0.00 0.00 179.24 177.03 2hta h ASN 113 N 0.00 0.00 0.00 6.45 2.35 -1.97 -3.45 115.58 118.96 2hta h ASN 113 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2hta h ASN 113 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2hta h ASN 113 CO 0.00 0.79 0.00 0.61 -1.65 0.00 0.00 177.43 177.18 2hta n GLY 114 N 1.41 -0.52 3.09 2.83 0.00 -1.17 -4.31 105.19 106.53 2hta n GLY 114 Ca -0.08 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 2hta n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hta s VAL 115 N -3.74 0.87 -0.05 1.61 1.01 -0.48 -1.60 120.40 118.02 2hta s VAL 115 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.13 2hta s VAL 115 Cb 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2hta s VAL 115 CO 0.00 -0.07 -0.18 -0.04 0.00 0.00 0.00 175.10 174.81 2hta s MET 116 N -1.08 2.44 0.03 2.72 -1.94 -0.02 -0.53 119.30 120.91 2hta s MET 116 Ca -0.01 -0.78 0.02 0.00 -1.71 0.00 0.00 55.69 53.21 2hta s MET 116 Cb -0.07 -2.28 -0.02 0.00 2.01 0.00 0.00 34.83 34.47 2hta s MET 116 CO 0.01 0.57 -0.06 -0.51 -0.01 0.00 0.00 175.02 175.01 2hta s LEU 117 N -0.60 2.18 -0.10 -0.03 1.02 -0.25 -1.24 118.68 119.66 2hta s LEU 117 Ca 0.09 -0.41 -0.00 0.00 0.02 0.00 0.00 54.13 53.83 2hta s LEU 117 Cb -0.11 -0.14 0.02 0.00 0.02 0.00 0.00 46.19 45.99 2hta s LEU 117 CO 0.01 -0.15 -0.07 -0.89 0.02 0.00 0.00 176.35 175.27 2hta s THR 118 N -1.03 0.95 0.09 5.49 2.01 -0.00 -0.42 115.64 122.72 2hta s THR 118 Ca -0.08 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.70 2hta s THR 118 Cb -0.08 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2hta s THR 118 CO 0.00 0.35 0.01 -0.36 -0.69 0.00 0.00 174.62 173.93 2hta s PHE 119 N 1.57 3.03 -0.03 4.92 0.40 0.04 -0.36 117.98 127.55 2hta s PHE 119 Ca 0.02 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.36 2hta s PHE 119 Cb -0.13 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 41.85 2hta s PHE 119 CO -0.06 0.49 -0.08 -2.00 0.70 0.00 0.00 175.22 174.27 2hta s GLU 120 N -2.31 0.90 -0.04 0.44 2.12 -0.38 -1.08 118.70 118.35 2hta s GLU 120 Ca 0.26 -0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.37 2hta s GLU 120 Cb -0.12 -0.85 -0.01 0.00 0.26 0.00 0.00 34.13 33.42 2hta s GLU 120 CO 0.19 0.09 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.64 2hta s LEU 121 N 0.27 1.95 0.18 2.70 2.96 0.02 -1.38 118.68 125.37 2hta s LEU 121 Ca -0.04 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.56 2hta s LEU 121 Cb -0.09 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 2hta s LEU 121 CO 0.00 0.17 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.98 2hta s GLN 122 N -0.04 1.21 0.77 1.98 -0.21 -1.26 -0.13 119.66 121.98 2hta s GLN 122 Ca -0.03 -1.50 -0.11 0.00 0.02 0.00 0.00 55.36 53.75 2hta s GLN 122 Cb -0.11 -0.95 0.06 0.00 1.00 0.00 0.00 33.01 33.00 2hta s GLN 122 CO 0.02 0.15 1.10 -1.54 -2.12 0.00 0.00 175.29 172.90 2hta s SER 123 N -3.14 4.47 0.00 5.90 1.04 -1.08 -4.99 113.70 115.89 2hta s SER 123 Ca 0.19 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.47 2hta s SER 123 Cb -0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2hta s SER 123 CO 0.04 -2.06 0.00 -1.20 0.98 0.00 0.00 173.24 171.00 2hta n SER 124 N -3.49 0.00 -0.23 7.02 7.64 -1.26 -4.92 113.62 118.38 2hta n SER 124 Ca 0.09 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.14 2hta n SER 124 Cb 0.53 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 64.05 2hta n SER 124 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2hta n GLU 125 N 0.00 -0.05 -0.09 1.43 0.28 -1.26 0.14 120.64 121.09 2hta n GLU 125 Ca 0.00 1.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.90 2hta n GLU 125 Cb 0.00 -1.70 -0.03 0.00 1.43 0.00 0.00 31.44 31.14 2hta n GLU 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2hta h ALA 126 N 1.40 0.38 0.00 -1.84 0.00 -1.96 -2.74 119.26 114.50 2hta h ALA 126 Ca 0.52 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2hta h ALA 126 Cb 1.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2hta h ALA 126 CO -0.59 0.01 -0.22 1.79 0.00 0.00 0.00 179.25 180.24 2hta h THR 127 N 0.31 0.47 0.00 0.00 1.35 -0.34 -3.11 112.91 111.59 2hta h THR 127 Ca 0.09 -1.23 -0.12 0.00 -0.55 0.00 0.00 66.41 64.60 2hta h THR 127 Cb 0.24 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.53 2hta h THR 127 CO -0.00 0.21 -0.58 0.03 -0.25 0.00 0.00 175.52 174.93 2hta h ARG 128 N 0.00 0.00 -6.65 4.72 3.08 0.14 -2.04 114.38 113.63 2hta h ARG 128 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2hta h ARG 128 Cb 0.87 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.96 2hta h ARG 128 CO 0.03 0.58 0.74 0.15 -1.07 0.00 0.00 179.97 180.40 2hta s LYS 129 N -3.49 4.31 0.00 0.04 -0.14 -1.04 -3.54 119.74 115.88 2hta s LYS 129 Ca -0.00 2.17 0.00 0.00 -1.36 0.00 0.00 55.97 56.78 2hta s LYS 129 Cb 0.12 -3.18 0.00 0.00 -1.68 0.00 0.00 37.83 33.09 2hta s LYS 129 CO 0.75 -0.41 0.00 2.48 -0.76 0.00 0.00 175.35 177.41 2hta n TYR 130 N 3.15 0.00 -3.15 3.18 0.18 -1.26 -4.87 117.16 114.39 2hta n TYR 130 Ca 0.09 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.92 2hta n TYR 130 Cb 0.41 -0.08 -0.00 0.00 -0.38 0.00 0.00 39.34 39.29 2hta n TYR 130 CO 0.00 0.00 0.00 -0.46 -2.08 0.00 0.00 176.86 174.32 2hta s TRP 131 N -3.46 -0.73 -1.46 -3.48 -0.00 -0.77 -5.08 118.94 103.96 2hta s TRP 131 Ca 0.00 0.44 -0.10 0.00 -0.00 0.00 0.00 56.10 56.44 2hta s TRP 131 Cb 0.00 0.13 0.03 0.00 -0.00 0.00 0.00 33.47 33.63 2hta s TRP 131 CO 0.00 -0.43 2.48 -0.35 -0.00 0.00 0.00 176.95 178.65 2hta n PRO 132 N 5.17 3.68 -3.84 5.86 -0.05 -1.23 -3.88 135.00 140.71 2hta n PRO 132 Ca 0.08 -2.80 -0.12 0.00 -0.05 0.00 0.00 63.50 60.62 2hta n PRO 132 Cb 0.57 -2.91 -0.12 0.00 -0.05 0.00 0.00 33.50 30.99 2hta n PRO 132 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 175.50 174.44 2hta s HIS 133 N 1.40 -0.09 0.35 0.54 3.76 -1.26 -5.08 115.29 114.91 2hta s HIS 133 Ca 0.56 0.21 -0.26 0.00 -0.15 0.00 0.00 55.06 55.42 2hta s HIS 133 Cb 0.16 0.02 -0.09 0.00 1.11 0.00 0.00 32.58 33.78 2hta s HIS 133 CO -0.06 -0.09 1.04 -0.51 -0.85 0.00 0.00 174.74 174.26 2hta s ASP 134 N -0.17 7.02 0.03 1.40 1.01 -1.26 -4.78 116.67 119.91 2hta s ASP 134 Ca -0.02 2.05 -0.26 0.00 0.71 0.00 0.00 52.55 55.02 2hta s ASP 134 Cb -0.02 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.38 2hta s ASP 134 CO 0.00 -0.30 0.60 0.72 0.21 0.00 0.00 175.17 176.40 2hta s PHE 135 N -1.51 -0.55 -0.14 4.23 -0.71 -1.26 -4.55 117.98 113.49 2hta s PHE 135 Ca 0.53 0.73 0.01 0.00 -1.04 0.00 0.00 56.93 57.16 2hta s PHE 135 Cb -0.24 0.42 0.02 0.00 -1.21 0.00 0.00 43.02 42.00 2hta s PHE 135 CO 0.30 -0.67 -0.17 0.99 -1.34 0.00 0.00 175.22 174.33 2hta s THR 136 N -2.15 1.73 -0.14 -4.49 2.01 -0.82 -2.62 115.64 109.16 2hta s THR 136 Ca -0.07 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 2hta s THR 136 Cb -0.01 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 2hta s THR 136 CO 0.01 0.49 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.08 2hta s LEU 137 N 1.15 2.71 -0.04 4.42 2.96 0.81 -0.01 118.68 130.69 2hta s LEU 137 Ca -0.01 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 2hta s LEU 137 Cb -0.14 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 2hta s LEU 137 CO -0.06 0.14 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.14 2hta s LEU 138 N 0.52 2.38 -0.18 -0.68 1.43 -0.00 -0.80 118.68 121.35 2hta s LEU 138 Ca -0.08 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2hta s LEU 138 Cb -0.16 -1.45 0.03 0.00 0.03 0.00 0.00 46.19 44.65 2hta s LEU 138 CO 0.04 0.32 -0.14 0.00 0.23 0.00 0.00 176.35 176.80 2hta s ALA 139 N -0.58 2.01 -0.11 4.21 0.00 -0.24 -1.03 121.76 126.02 2hta s ALA 139 Ca 0.08 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 2hta s ALA 139 Cb -0.11 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 2hta s ALA 139 CO 0.00 -0.56 -0.05 1.03 0.00 0.00 0.00 175.76 176.18 2hta s ARG 140 N 1.41 3.23 0.01 0.00 0.52 0.10 -0.78 118.95 123.45 2hta s ARG 140 Ca 0.02 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.77 2hta s ARG 140 Cb -0.14 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 2hta s ARG 140 CO -0.10 0.46 -0.19 -0.06 0.02 0.00 0.00 175.30 175.43 2hta s PHE 141 N -0.24 1.68 -0.24 -0.53 0.40 0.44 -0.69 117.98 118.80 2hta s PHE 141 Ca 0.04 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 56.03 2hta s PHE 141 Cb -0.13 -1.04 0.07 0.00 0.51 0.00 0.00 43.02 42.42 2hta s PHE 141 CO 0.02 0.02 -0.01 0.15 0.70 0.00 0.00 175.22 176.11 2hta s LYS 142 N -0.79 1.27 -0.11 0.44 3.01 -0.26 -1.09 119.74 122.21 2hta s LYS 142 Ca 0.07 -0.88 0.01 0.00 -1.01 0.00 0.00 55.97 54.15 2hta s LYS 142 Cb -0.08 -2.43 -0.02 0.00 -1.01 0.00 0.00 37.83 34.30 2hta s LYS 142 CO 0.00 -0.66 -0.14 0.14 0.51 0.00 0.00 175.35 175.20 2hta s VAL 143 N 1.52 3.00 0.00 3.17 -7.23 0.30 -1.33 120.40 119.83 2hta s VAL 143 Ca -0.02 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 2hta s VAL 143 Cb -0.18 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.52 2hta s VAL 143 CO -0.09 0.54 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 2hta n GLY 144 N 3.26 1.20 0.19 2.32 0.00 -1.26 -1.39 105.19 109.52 2hta n GLY 144 Ca -0.18 0.29 0.06 0.00 0.00 0.00 0.00 46.02 46.19 2hta n GLY 144 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2hta h LYS 145 N 0.00 0.00 -5.50 1.61 -0.00 -1.80 -3.40 116.57 107.48 2hta h LYS 145 Ca 0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 60.65 60.00 2hta h LYS 145 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 32.23 32.10 2hta h LYS 145 CO 0.00 0.36 -0.57 0.95 -0.00 0.00 0.00 179.45 180.20 2hta s THR 146 N -3.55 1.71 -0.14 0.07 -4.23 -1.26 -4.63 115.64 103.60 2hta s THR 146 Ca 0.01 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 2hta s THR 146 Cb 0.10 -2.70 0.04 0.00 1.34 0.00 0.00 72.50 71.29 2hta s THR 146 CO 0.68 0.00 -0.00 0.00 -0.54 0.00 0.00 174.62 174.76 2hta s GLU 148 N 1.83 3.57 -0.11 0.00 2.02 -0.44 -0.94 118.70 124.64 2hta s GLU 148 Ca 0.02 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 54.46 2hta s GLU 148 Cb -0.15 -2.88 0.01 0.00 0.10 0.00 0.00 34.13 31.21 2hta s GLU 148 CO -0.07 0.17 -0.19 0.42 0.02 0.00 0.00 175.26 175.61 2hta s ILE 149 N 0.54 1.75 -0.07 -1.63 1.01 0.13 -1.11 121.20 121.83 2hta s ILE 149 Ca -0.04 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 2hta s ILE 149 Cb -0.15 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.79 2hta s ILE 149 CO 0.03 0.49 -0.03 -1.61 0.00 0.00 0.00 174.94 173.82 2hta s GLU 150 N 0.71 0.87 -0.11 2.79 2.02 0.13 -1.21 118.70 123.90 2hta s GLU 150 Ca -0.11 -0.03 -0.04 0.00 0.02 0.00 0.00 54.97 54.81 2hta s GLU 150 Cb -0.16 -1.07 -0.04 0.00 0.10 0.00 0.00 34.13 32.97 2hta s GLU 150 CO 0.02 -0.23 0.04 -1.17 0.02 0.00 0.00 175.26 173.94 2hta s LEU 151 N 1.61 3.76 -0.11 1.80 2.96 0.14 -0.72 118.68 128.13 2hta s LEU 151 Ca 0.00 0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.06 2hta s LEU 151 Cb -0.13 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.72 2hta s LEU 151 CO -0.04 0.34 0.10 -0.70 -1.32 0.00 0.00 176.35 174.73 2hta s GLU 152 N -0.63 0.02 -0.19 1.98 2.12 -0.20 -1.69 118.70 120.10 2hta s GLU 152 Ca 0.11 0.21 -0.06 0.00 0.36 0.00 0.00 54.97 55.60 2hta s GLU 152 Cb -0.12 -1.05 -0.03 0.00 0.26 0.00 0.00 34.13 33.19 2hta s GLU 152 CO 0.02 -0.49 0.02 0.00 -0.54 0.00 0.00 175.26 174.28 2hta s ALA 153 N 2.19 3.17 -0.23 6.30 0.00 0.17 -0.82 121.76 132.55 2hta s ALA 153 Ca 0.04 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 2hta s ALA 153 Cb -0.14 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 2hta s ALA 153 CO -0.07 0.03 0.03 -1.01 0.00 0.00 0.00 175.76 174.74 2hta s HIS 154 N 0.67 3.05 -5.00 0.00 3.76 0.99 -1.63 115.29 117.13 2hta s HIS 154 Ca 0.01 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 2hta s HIS 154 Cb -0.14 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.39 2hta s HIS 154 CO 0.02 -0.33 0.00 0.41 -0.85 0.00 0.00 174.74 173.99 2hta n GLY 155 N 4.64 -0.36 2.69 -2.22 0.00 -1.26 -1.95 105.19 106.72 2hta n GLY 155 Ca -0.17 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 2hta n GLY 155 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hta s GLU 156 N -2.00 0.66 -0.15 1.61 2.56 -1.25 -2.68 118.70 117.45 2hta s GLU 156 Ca 0.00 -1.06 -0.34 0.00 0.00 0.00 0.00 54.97 53.57 2hta s GLU 156 Cb 0.00 -1.85 0.13 0.00 2.00 0.00 0.00 34.13 34.42 2hta s GLU 156 CO 0.00 -1.01 1.22 -0.59 -0.56 0.00 0.00 175.26 174.31 2hta s PHE 157 N 1.59 -0.12 0.05 5.30 -0.12 -0.62 -4.96 117.98 119.10 2hta s PHE 157 Ca 0.11 0.05 0.01 0.00 -0.05 0.00 0.00 56.93 57.05 2hta s PHE 157 Cb -0.18 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 2hta s PHE 157 CO -0.24 -0.23 0.13 0.00 -0.05 0.00 0.00 175.22 174.83 2hta s ALA 158 N -2.44 3.74 0.13 1.99 0.00 -1.26 -0.21 121.76 123.72 2hta s ALA 158 Ca 0.10 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 2hta s ALA 158 Cb 0.00 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2hta s ALA 158 CO -0.04 0.77 0.17 0.95 0.00 0.00 0.00 175.76 177.60 2hta s THR 159 N -1.39 0.10 0.24 0.00 -4.23 -0.16 -4.94 115.64 105.25 2hta s THR 159 Ca 0.30 -1.57 0.10 0.00 -1.18 0.00 0.00 61.69 59.35 2hta s THR 159 Cb -0.12 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 2hta s THR 159 CO 0.23 -0.47 -0.11 0.42 -0.54 0.00 0.00 174.62 174.15 2hta s THR 160 N -3.97 3.01 0.26 3.99 -4.23 -0.80 -0.10 115.64 113.79 2hta s THR 160 Ca 0.17 -1.97 -0.22 0.00 -1.18 0.00 0.00 61.69 58.49 2hta s THR 160 Cb 0.05 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.37 2hta s THR 160 CO -0.02 -0.27 0.74 -0.94 -0.54 0.00 0.00 174.62 173.59 2hta s SER 161 N -3.27 -0.27 -0.03 3.99 1.04 -0.70 -2.10 113.70 112.36 2hta s SER 161 Ca 0.28 -0.55 -0.27 0.00 0.48 0.00 0.00 55.95 55.89 2hta s SER 161 Cb -0.07 0.70 0.06 0.00 0.10 0.00 0.00 66.02 66.80 2hta s SER 161 CO 0.16 -1.28 0.58 0.00 0.98 0.00 0.00 173.24 173.68 2hta s ALA 162 N -3.84 -1.51 -0.55 5.32 0.00 -0.52 -0.24 121.76 120.43 2hta s ALA 162 Ca 0.11 1.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.97 2hta s ALA 162 Cb -0.05 0.05 0.14 0.00 0.00 0.00 0.00 23.12 23.25 2hta s ALA 162 CO 0.05 -0.35 0.47 -0.51 0.00 0.00 0.00 175.76 175.42 2hta s LEU 163 N -1.28 6.04 -1.08 0.00 1.43 0.14 -1.01 118.68 122.92 2hta s LEU 163 Ca -0.11 -1.96 -0.06 0.00 -1.03 0.00 0.00 54.13 50.96 2hta s LEU 163 Cb -0.01 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 44.10 2hta s LEU 163 CO 0.08 -0.75 2.72 1.57 0.23 0.00 0.00 176.35 180.20 2hta n HIS 164 N 4.94 2.09 -1.93 0.29 -0.00 -0.38 -2.37 115.22 117.84 2hta n HIS 164 Ca -0.08 -2.57 -0.42 0.00 0.46 0.00 0.00 57.72 55.11 2hta n HIS 164 Cb 0.41 -1.87 -0.03 0.00 -0.12 0.00 0.00 29.99 28.38 2hta n HIS 164 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2hta s SER 165 N 0.94 6.58 -0.41 0.26 0.01 -1.26 -4.15 113.70 115.67 2hta s SER 165 Ca 0.60 2.63 -0.14 0.00 1.31 0.00 0.00 55.95 60.35 2hta s SER 165 Cb 0.24 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.90 2hta s SER 165 CO -0.10 -0.82 0.30 -0.31 0.41 0.00 0.00 173.24 172.71 2hta s TYR 166 N 1.03 3.24 -0.10 2.43 1.51 -0.30 -2.43 117.35 122.73 2hta s TYR 166 Ca 0.69 -0.74 -0.13 0.00 -1.01 0.00 0.00 57.07 55.89 2hta s TYR 166 Cb -0.44 -2.66 -0.05 0.00 -0.11 0.00 0.00 41.96 38.71 2hta s TYR 166 CO 0.32 -0.64 0.30 -0.06 -1.11 0.00 0.00 175.55 174.36 2hta s PHE 167 N 1.64 3.57 0.02 2.71 0.40 0.35 -0.96 117.98 125.73 2hta s PHE 167 Ca 0.04 0.71 -0.30 0.00 -0.60 0.00 0.00 56.93 56.77 2hta s PHE 167 Cb -0.20 -2.24 -0.06 0.00 0.51 0.00 0.00 43.02 41.03 2hta s PHE 167 CO 0.09 0.47 1.36 1.21 0.70 0.00 0.00 175.22 179.04 2hta s ASN 168 N -0.32 6.89 0.10 1.36 2.47 0.30 -1.54 114.94 124.21 2hta s ASN 168 Ca 0.18 2.11 0.05 0.00 0.42 0.00 0.00 52.86 55.62 2hta s ASN 168 Cb -0.14 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.06 2hta s ASN 168 CO 0.07 -0.67 -0.12 0.68 -3.72 0.00 0.00 177.10 173.34 2hta s VAL 169 N 2.00 1.08 0.08 -5.21 -7.23 0.48 -4.91 120.40 106.70 2hta s VAL 169 Ca 0.63 -1.62 -0.22 0.00 -1.81 0.00 0.00 61.98 58.96 2hta s VAL 169 Cb -0.31 -1.37 -0.12 0.00 0.56 0.00 0.00 36.38 35.13 2hta s VAL 169 CO 0.27 -0.47 1.67 1.23 -0.31 0.00 0.00 175.10 177.49 2hta h GLY 170 N 3.64 0.13 -5.31 2.32 0.00 -1.86 -3.40 103.07 98.59 2hta h GLY 170 Ca -0.38 -0.06 0.07 0.00 0.00 0.00 0.00 47.33 46.95 2hta h GLY 170 CO 0.50 0.06 -0.18 -0.35 0.00 0.00 0.00 176.54 176.57 2hta s ASP 171 N -5.38 -1.13 0.41 0.19 -1.08 -1.25 -4.75 116.67 103.69 2hta s ASP 171 Ca -0.13 1.36 0.16 0.00 -0.52 0.00 0.00 52.55 53.42 2hta s ASP 171 Cb 0.06 2.20 1.05 0.00 -1.46 0.00 0.00 42.92 44.78 2hta s ASP 171 CO 0.68 -0.23 1.87 -0.29 0.52 0.00 0.00 175.17 177.72 2hta h ILE 172 N 6.01 0.71 -0.00 4.11 6.09 -1.04 -1.10 117.51 132.30 2hta h ILE 172 Ca -0.19 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 2hta h ILE 172 Cb 1.12 0.24 -0.00 0.00 0.47 0.00 0.00 36.82 38.65 2hta h ILE 172 CO 0.14 0.08 0.00 0.00 -3.07 0.00 0.00 178.15 175.30 2hta h ALA 173 N 1.62 1.75 -0.69 0.18 0.00 -1.85 -2.64 119.26 117.63 2hta h ALA 173 Ca 0.45 -0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.89 2hta h ALA 173 Cb 1.06 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.55 2hta h ALA 173 CO -0.17 -0.00 -0.21 0.09 0.00 0.00 0.00 179.25 178.96 2hta n ASN 174 N -4.17 4.85 -4.37 0.00 4.13 -0.42 -4.91 115.26 110.37 2hta n ASN 174 Ca -0.03 -3.78 -0.32 0.00 1.68 0.00 0.00 54.58 52.13 2hta n ASN 174 Cb 0.09 -0.58 -0.15 0.00 -1.54 0.00 0.00 39.78 37.60 2hta n ASN 174 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2hta s VAL 175 N -4.26 2.56 0.04 2.41 1.01 -0.99 -2.48 120.40 118.69 2hta s VAL 175 Ca 0.52 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2hta s VAL 175 Cb 0.43 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2hta s VAL 175 CO 0.01 0.57 -0.09 -1.59 0.00 0.00 0.00 175.10 174.01 2hta s LYS 176 N -0.41 0.59 -0.18 2.72 -2.85 -0.96 -4.03 119.74 114.62 2hta s LYS 176 Ca 0.04 -0.71 -0.01 0.00 -1.00 0.00 0.00 55.97 54.29 2hta s LYS 176 Cb -0.12 -0.44 -0.00 0.00 -2.06 0.00 0.00 37.83 35.21 2hta s LYS 176 CO 0.02 0.09 -0.11 0.08 0.10 0.00 0.00 175.35 175.53 2hta s VAL 177 N -1.15 2.95 0.50 1.79 1.01 -0.09 -0.56 120.40 124.85 2hta s VAL 177 Ca -0.06 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.33 2hta s VAL 177 Cb -0.09 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 34.03 2hta s VAL 177 CO 0.01 0.48 0.48 -0.94 0.00 0.00 0.00 175.10 175.13 2hta s SER 178 N 1.05 4.90 0.00 3.32 1.04 0.61 -0.81 113.70 123.81 2hta s SER 178 Ca -0.00 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2hta s SER 178 Cb -0.15 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2hta s SER 178 CO -0.02 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2hta n GLY 179 N -1.80 0.48 0.78 7.32 0.00 -1.03 -1.37 105.19 109.58 2hta n GLY 179 Ca 0.04 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.63 2hta n GLY 179 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hta n LEU 180 N 0.00 2.37 0.00 0.99 4.77 -0.52 -0.82 117.00 123.78 2hta n LEU 180 Ca 0.00 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 2hta n LEU 180 Cb 0.00 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2hta n LEU 180 CO 0.00 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2hta n GLY 181 N 1.28 0.26 0.98 -0.72 0.00 -1.25 -4.00 105.19 101.73 2hta n GLY 181 Ca 0.17 -1.11 -0.00 0.00 0.00 0.00 0.00 46.02 45.08 2hta n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hta n ASP 182 N 2.66 0.16 -4.77 1.61 5.68 -1.26 -2.94 116.55 117.69 2hta n ASP 182 Ca 0.00 0.02 -0.38 0.00 -0.50 0.00 0.00 54.79 53.93 2hta n ASP 182 Cb 0.00 -0.06 -0.05 0.00 -1.14 0.00 0.00 41.12 39.86 2hta n ASP 182 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2hta s ARG 183 N -1.15 4.56 0.07 0.11 0.52 -1.26 -0.46 118.95 121.34 2hta s ARG 183 Ca -0.00 1.50 -0.14 0.00 -0.52 0.00 0.00 55.73 56.57 2hta s ARG 183 Cb 0.00 -2.92 0.02 0.00 0.52 0.00 0.00 34.95 32.57 2hta s ARG 183 CO 0.00 0.22 0.32 -0.59 0.02 0.00 0.00 175.30 175.27 2hta s PHE 184 N -1.44 -0.10 -0.18 -0.53 -0.12 -0.62 -1.47 117.98 113.52 2hta s PHE 184 Ca 0.49 -0.13 -0.05 0.00 -0.05 0.00 0.00 56.93 57.19 2hta s PHE 184 Cb -0.24 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.25 2hta s PHE 184 CO 0.30 -0.57 -0.00 0.42 -0.05 0.00 0.00 175.22 175.32 2hta s ILE 185 N -3.12 4.07 -0.49 -4.49 1.01 -0.26 -0.72 121.20 117.21 2hta s ILE 185 Ca -0.01 -0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 2hta s ILE 185 Cb 0.01 -2.82 0.09 0.00 0.01 0.00 0.00 42.46 39.74 2hta s ILE 185 CO -0.07 0.45 0.41 -0.62 0.00 0.00 0.00 174.94 175.11 2hta s ASP 186 N 0.72 6.11 0.42 3.58 -1.08 -0.27 -1.03 116.67 125.13 2hta s ASP 186 Ca 0.00 -1.48 0.26 0.00 -0.52 0.00 0.00 52.55 50.81 2hta s ASP 186 Cb -0.14 -2.17 0.68 0.00 -1.46 0.00 0.00 42.92 39.83 2hta s ASP 186 CO 0.02 -0.70 1.73 0.11 0.52 0.00 0.00 175.17 176.85 2hta h LYS 187 N 8.76 0.00 -0.30 4.34 1.57 -1.12 0.19 116.57 130.01 2hta h LYS 187 Ca -0.28 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.33 2hta h LYS 187 Cb 1.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 2hta h LYS 187 CO 0.91 0.00 -0.46 0.28 -0.57 0.00 0.00 179.45 179.61 2hta h VAL 188 N 0.00 1.28 -2.37 0.50 2.07 -1.92 -3.38 116.25 112.43 2hta h VAL 188 Ca 0.00 -1.65 -0.68 0.00 0.82 0.00 0.00 66.70 65.20 2hta h VAL 188 Cb 0.81 1.54 -0.37 0.00 -1.52 0.00 0.00 31.29 31.76 2hta h VAL 188 CO 0.00 0.54 -0.04 0.59 0.02 0.00 0.00 177.57 178.67 2hta n ASN 189 N -4.02 5.17 -1.92 0.57 3.02 -0.87 -4.85 115.26 112.36 2hta n ASN 189 Ca -0.03 -3.56 -0.21 0.00 -0.03 0.00 0.00 54.58 50.75 2hta n ASN 189 Cb 0.57 -0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 38.85 2hta n ASN 189 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2hta n ASP 190 N 0.43 -5.66 -3.08 6.41 8.00 -1.24 -1.78 116.55 119.63 2hta n ASP 190 Ca 0.33 0.28 -0.22 0.00 0.71 0.00 0.00 54.79 55.89 2hta n ASP 190 Cb 0.36 -4.85 0.03 0.00 -0.02 0.00 0.00 41.12 36.64 2hta n ASP 190 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hta n ALA 191 N -0.07 -0.99 -1.76 2.24 0.00 0.60 -4.95 120.51 115.58 2hta n ALA 191 Ca -0.22 0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 2hta n ALA 191 Cb 0.68 -3.66 0.01 0.00 0.00 0.00 0.00 19.45 16.48 2hta n ALA 191 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2hta s LYS 192 N -5.75 3.63 -0.19 0.00 1.02 -0.73 -4.55 119.74 113.16 2hta s LYS 192 Ca 0.32 1.99 -0.23 0.00 0.02 0.00 0.00 55.97 58.07 2hta s LYS 192 Cb -0.15 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 2hta s LYS 192 CO 0.39 -0.72 0.76 -2.00 -0.92 0.00 0.00 175.35 172.86 2hta s GLU 193 N -2.64 4.25 0.49 1.68 2.12 -1.26 -1.12 118.70 122.21 2hta s GLU 193 Ca 0.64 0.86 0.06 0.00 0.36 0.00 0.00 54.97 56.89 2hta s GLU 193 Cb -0.34 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.46 2hta s GLU 193 CO 0.42 -0.32 0.31 0.20 -0.54 0.00 0.00 175.26 175.32 2hta s GLY 194 N 1.20 2.38 -0.12 -1.50 0.00 0.11 -4.96 107.32 104.42 2hta s GLY 194 Ca 0.34 -1.51 -0.04 0.00 0.00 0.00 0.00 44.72 43.51 2hta s GLY 194 CO 0.11 -1.91 0.21 0.14 0.00 0.00 0.00 173.10 171.64 2hta s VAL 195 N -2.69 -0.33 0.36 1.40 1.01 -1.26 -1.58 120.40 117.32 2hta s VAL 195 Ca 0.36 0.23 -0.18 0.00 0.00 0.00 0.00 61.98 62.39 2hta s VAL 195 Cb -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 36.38 35.85 2hta s VAL 195 CO 0.21 0.06 0.84 -0.76 0.00 0.00 0.00 175.10 175.45 2hta s LEU 196 N 2.34 4.04 0.00 3.92 1.43 0.39 -4.98 118.68 125.83 2hta s LEU 196 Ca 0.03 1.49 0.13 0.00 -1.03 0.00 0.00 54.13 54.75 2hta s LEU 196 Cb -0.13 -4.25 0.15 0.00 0.03 0.00 0.00 46.19 41.99 2hta s LEU 196 CO -0.08 -0.25 0.99 0.35 0.23 0.00 0.00 176.35 177.58 2hta n THR 197 N -0.38 0.16 -1.07 5.49 -2.24 -1.26 -4.42 114.28 110.56 2hta n THR 197 Ca 0.05 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2hta n THR 197 Cb 0.53 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 2hta n THR 197 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2hta n ASP 198 N 0.75 0.00 -0.56 3.42 3.85 -1.26 -5.02 116.55 117.73 2hta n ASP 198 Ca 0.09 -1.00 -0.07 0.00 -0.71 0.00 0.00 54.79 53.10 2hta n ASP 198 Cb 0.36 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.09 2hta n ASP 198 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2hta n GLY 199 N 0.00 0.83 3.42 6.12 0.00 -1.15 -4.69 105.19 109.72 2hta n GLY 199 Ca 0.00 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2hta n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hta s ILE 200 N -1.93 3.71 -0.12 -0.61 1.01 -1.26 -1.44 121.20 120.56 2hta s ILE 200 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 2hta s ILE 200 Cb 0.00 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 2hta s ILE 200 CO 0.00 0.46 -0.10 -1.58 0.00 0.00 0.00 174.94 173.71 2hta s GLN 201 N 0.85 3.31 0.38 2.79 2.00 0.01 -4.95 119.66 124.06 2hta s GLN 201 Ca -0.01 -0.63 0.08 0.00 -2.00 0.00 0.00 55.36 52.80 2hta s GLN 201 Cb -0.15 -2.68 -0.02 0.00 0.80 0.00 0.00 33.01 30.97 2hta s GLN 201 CO 0.02 0.31 0.37 0.95 -0.50 0.00 0.00 175.29 176.43 2hta s THR 202 N 0.13 3.09 -0.45 -0.34 -4.23 -1.26 -0.92 115.64 111.66 2hta s THR 202 Ca -0.05 -1.30 0.09 0.00 -1.18 0.00 0.00 61.69 59.26 2hta s THR 202 Cb -0.14 -3.09 0.34 0.00 1.34 0.00 0.00 72.50 70.94 2hta s THR 202 CO 0.04 -0.07 0.78 0.49 -0.54 0.00 0.00 174.62 175.32 2hta n PHE 203 N -1.52 1.51 0.24 3.99 3.01 -1.26 -4.90 117.46 118.54 2hta n PHE 203 Ca 0.02 -3.87 0.12 0.00 1.01 0.00 0.00 57.45 54.73 2hta n PHE 203 Cb 0.61 -0.44 0.51 0.00 -0.01 0.00 0.00 39.48 40.14 2hta n PHE 203 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2hta h PRO 204 N 3.12 0.00 -4.15 -1.08 0.13 -1.91 -3.41 132.00 124.69 2hta h PRO 204 Ca 0.11 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.94 2hta h PRO 204 Cb 0.80 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.86 2hta h PRO 204 CO 0.61 0.14 -0.18 -0.51 -0.23 0.00 0.00 178.00 177.84 2hta s ASP 205 N -6.04 1.07 -0.13 1.44 1.01 -1.26 -4.98 116.67 107.78 2hta s ASP 205 Ca 0.01 -1.55 -0.41 0.00 0.71 0.00 0.00 52.55 51.32 2hta s ASP 205 Cb 0.09 0.69 -0.18 0.00 1.01 0.00 0.00 42.92 44.52 2hta s ASP 205 CO 0.61 -1.34 1.36 -1.14 0.21 0.00 0.00 175.17 174.88 2hta n ARG 206 N -0.60 0.47 -4.06 8.23 0.63 -1.26 -4.73 116.66 115.33 2hta n ARG 206 Ca 0.01 0.17 -0.18 0.00 -0.92 0.00 0.00 57.85 56.94 2hta n ARG 206 Cb 0.61 -1.74 -0.16 0.00 0.45 0.00 0.00 32.46 31.63 2hta n ARG 206 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2hta s THR 207 N 1.34 0.35 -0.32 5.15 2.01 -0.31 -4.95 115.64 118.90 2hta s THR 207 Ca 0.94 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.90 2hta s THR 207 Cb -1.21 -0.38 0.15 0.00 0.01 0.00 0.00 72.50 71.07 2hta s THR 207 CO 0.61 0.16 0.39 -0.62 -0.69 0.00 0.00 174.62 174.47 2hta s ASP 208 N 0.69 0.81 -0.02 3.53 -1.08 -1.26 -1.27 116.67 118.08 2hta s ASP 208 Ca -0.08 -0.86 0.01 0.00 -0.52 0.00 0.00 52.55 51.10 2hta s ASP 208 Cb -0.11 0.85 0.01 0.00 -1.46 0.00 0.00 42.92 42.21 2hta s ASP 208 CO -0.01 -0.32 -0.05 -0.13 0.52 0.00 0.00 175.17 175.18 2hta s ARG 209 N 2.12 0.58 -0.36 4.34 0.52 -0.56 -0.50 118.95 125.10 2hta s ARG 209 Ca 0.12 -0.14 -0.12 0.00 -0.52 0.00 0.00 55.73 55.08 2hta s ARG 209 Cb -0.13 -0.59 0.01 0.00 0.52 0.00 0.00 34.95 34.76 2hta s ARG 209 CO -0.21 0.02 0.22 0.08 0.02 0.00 0.00 175.30 175.43 2hta s VAL 210 N 0.37 4.81 -0.12 3.52 1.01 -0.20 -1.39 120.40 128.41 2hta s VAL 210 Ca -0.04 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.10 2hta s VAL 210 Cb -0.08 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2hta s VAL 210 CO -0.00 -0.14 0.64 -0.31 0.00 0.00 0.00 175.10 175.28 2hta s TYR 211 N 1.62 3.50 -0.11 5.22 1.51 0.15 -1.10 117.35 128.14 2hta s TYR 211 Ca 0.04 1.08 0.20 0.00 -1.01 0.00 0.00 57.07 57.38 2hta s TYR 211 Cb -0.18 -2.75 -0.26 0.00 -0.11 0.00 0.00 41.96 38.65 2hta s TYR 211 CO 0.08 0.02 0.44 1.28 -1.11 0.00 0.00 175.55 176.26 2hta n LEU 212 N 4.15 0.17 -2.82 -1.29 4.77 -0.54 -2.54 117.00 118.90 2hta n LEU 212 Ca -0.02 0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.84 2hta n LEU 212 Cb 0.51 0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.75 2hta n LEU 212 CO 0.45 0.16 -0.03 0.59 -1.33 0.00 0.00 177.39 177.23 2hta n ASN 213 N -2.52 2.57 -4.79 -1.43 3.02 -1.26 -4.90 115.26 105.95 2hta n ASN 213 Ca -0.13 -3.20 -0.32 0.00 -0.03 0.00 0.00 54.58 50.90 2hta n ASN 213 Cb 0.79 -0.54 0.06 0.00 -0.61 0.00 0.00 39.78 39.47 2hta n ASN 213 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2hta s PRO 214 N -3.09 2.76 0.64 3.52 0.04 -1.26 -3.97 135.00 133.64 2hta s PRO 214 Ca 0.39 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2hta s PRO 214 Cb 0.38 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.93 2hta s PRO 214 CO -0.08 -1.25 1.04 -1.21 0.04 0.00 0.00 177.00 175.55 2hta s GLU 215 N -4.72 3.42 0.41 4.56 2.02 -0.00 -4.86 118.70 119.54 2hta s GLU 215 Ca 0.61 0.75 0.16 0.00 0.02 0.00 0.00 54.97 56.51 2hta s GLU 215 Cb -0.16 -2.06 1.04 0.00 0.10 0.00 0.00 34.13 33.05 2hta s GLU 215 CO 0.51 -0.70 1.88 0.00 0.02 0.00 0.00 175.26 176.97 2hta h ALA 216 N -0.41 2.13 -3.52 5.21 0.00 -1.88 -3.40 119.26 117.39 2hta h ALA 216 Ca -0.44 0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.80 2hta h ALA 216 Cb 1.20 -0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.61 2hta h ALA 216 CO 0.61 -0.38 -0.74 0.00 0.00 0.00 0.00 179.25 178.75 2hta s SER 218 N 1.24 7.33 -0.20 0.00 0.01 0.03 -4.46 113.70 117.64 2hta s SER 218 Ca -0.05 1.58 -0.02 0.00 1.31 0.00 0.00 55.95 58.77 2hta s SER 218 Cb -0.19 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2hta s SER 218 CO -0.03 0.10 -0.10 -0.69 0.41 0.00 0.00 173.24 172.93 2hta s VAL 219 N -0.59 2.87 -0.30 3.43 1.01 -0.47 -0.33 120.40 126.02 2hta s VAL 219 Ca 0.38 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 2hta s VAL 219 Cb -0.22 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.89 2hta s VAL 219 CO 0.25 0.47 0.83 -0.63 0.00 0.00 0.00 175.10 176.02 2hta s ILE 220 N 1.40 4.77 -0.29 2.22 1.01 0.68 -0.29 121.20 130.70 2hta s ILE 220 Ca 0.05 1.32 -0.10 0.00 0.00 0.00 0.00 60.65 61.92 2hta s ILE 220 Cb -0.14 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 2hta s ILE 220 CO -0.07 -0.24 0.16 -1.00 0.00 0.00 0.00 174.94 173.79 2hta s HIS 221 N 3.02 3.18 -0.31 3.97 3.76 0.28 -0.96 115.29 128.23 2hta s HIS 221 Ca 0.34 -0.27 0.03 0.00 -0.15 0.00 0.00 55.06 55.02 2hta s HIS 221 Cb -0.14 -2.36 0.08 0.00 1.11 0.00 0.00 32.58 31.28 2hta s HIS 221 CO 0.12 -0.33 -0.01 0.34 -0.85 0.00 0.00 174.74 174.01 2hta s ASP 222 N 1.68 4.59 -0.02 1.40 -1.08 -0.54 -2.26 116.67 120.45 2hta s ASP 222 Ca 0.06 -1.83 0.10 0.00 -0.52 0.00 0.00 52.55 50.36 2hta s ASP 222 Cb -0.16 -1.56 0.32 0.00 -1.46 0.00 0.00 42.92 40.06 2hta s ASP 222 CO 0.08 -0.31 1.23 0.00 0.52 0.00 0.00 175.17 176.69 2hta n ALA 223 N 4.35 2.56 -0.09 3.66 0.00 -1.03 -1.33 120.51 128.63 2hta n ALA 223 Ca -0.03 -0.66 -0.17 0.00 0.00 0.00 0.00 53.44 52.58 2hta n ALA 223 Cb 0.42 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 2hta n ALA 223 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hta n THR 224 N 0.48 0.97 1.72 0.00 -1.04 -1.26 -4.53 114.28 110.63 2hta n THR 224 Ca 0.12 -0.28 0.15 0.00 -2.04 0.00 0.00 64.05 61.99 2hta n THR 224 Cb 0.36 -1.56 0.72 0.00 -1.82 0.00 0.00 70.33 68.03 2hta n THR 224 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2hta n LEU 225 N -3.57 0.80 -3.95 -4.42 4.77 -1.24 -4.95 117.00 104.44 2hta n LEU 225 Ca -0.34 -0.26 -0.35 0.00 -0.03 0.00 0.00 56.01 55.03 2hta n LEU 225 Cb 0.77 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 2hta n LEU 225 CO 0.06 0.13 -0.19 0.59 -1.33 0.00 0.00 177.39 176.65 2hta n ASN 226 N -0.39 -2.98 -3.88 -1.43 4.13 -0.44 -4.84 115.26 105.42 2hta n ASN 226 Ca 0.21 -1.14 -0.09 0.00 1.68 0.00 0.00 54.58 55.24 2hta n ASN 226 Cb 0.24 -2.53 -0.06 0.00 -1.54 0.00 0.00 39.78 35.90 2hta n ASN 226 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2hta s ARG 227 N -6.76 1.24 0.12 3.52 1.70 -0.74 0.10 118.95 118.12 2hta s ARG 227 Ca 0.31 -1.07 0.10 0.00 -0.47 0.00 0.00 55.73 54.61 2hta s ARG 227 Cb -0.14 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 2hta s ARG 227 CO 0.92 -0.48 -0.22 0.95 -1.08 0.00 0.00 175.30 175.39 2hta s THR 228 N -3.93 2.56 -0.16 4.99 -4.23 0.06 -1.46 115.64 113.46 2hta s THR 228 Ca 0.14 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 2hta s THR 228 Cb 0.02 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.71 2hta s THR 228 CO -0.01 0.10 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.35 2hta s ILE 229 N -1.10 2.26 -0.09 2.99 1.01 -0.13 -1.18 121.20 124.96 2hta s ILE 229 Ca 0.16 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 2hta s ILE 229 Cb -0.10 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 2hta s ILE 229 CO 0.08 0.53 0.36 -1.81 0.00 0.00 0.00 174.94 174.10 2hta s ASP 230 N 1.01 6.61 -0.25 3.58 1.11 -0.19 -0.23 116.67 128.31 2hta s ASP 230 Ca -0.02 0.72 0.01 0.00 0.18 0.00 0.00 52.55 53.44 2hta s ASP 230 Cb -0.15 -2.22 0.07 0.00 1.07 0.00 0.00 42.92 41.70 2hta s ASP 230 CO -0.05 0.19 -0.03 -0.69 1.18 0.00 0.00 175.17 175.77 2hta s VAL 231 N -0.18 1.53 -0.19 -1.27 1.01 0.55 -1.72 120.40 120.13 2hta s VAL 231 Ca 0.21 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 60.77 2hta s VAL 231 Cb -0.15 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2hta s VAL 231 CO 0.08 -0.20 0.08 -0.69 0.00 0.00 0.00 175.10 174.38 2hta s VAL 232 N 1.37 4.98 -0.06 2.92 1.01 0.45 -0.79 120.40 130.28 2hta s VAL 232 Ca -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2hta s VAL 232 Cb -0.19 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2hta s VAL 232 CO -0.08 0.46 0.04 -1.00 0.00 0.00 0.00 175.10 174.52 2hta s HIS 233 N 0.36 3.25 0.02 5.22 3.76 0.53 -0.85 115.29 127.58 2hta s HIS 233 Ca 0.05 0.23 0.01 0.00 -0.15 0.00 0.00 55.06 55.20 2hta s HIS 233 Cb -0.12 -1.78 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 2hta s HIS 233 CO -0.01 0.53 -0.05 -1.01 -0.85 0.00 0.00 174.74 173.36 2hta s HIS 234 N -1.01 0.41 -0.01 1.40 3.76 -0.23 -4.84 115.29 114.77 2hta s HIS 234 Ca 0.17 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2hta s HIS 234 Cb -0.12 -0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.31 2hta s HIS 234 CO 0.07 -0.09 0.00 0.72 -0.85 0.00 0.00 174.74 174.59 2hta n HIS 235 N 2.01 0.00 -2.51 1.40 8.25 -1.26 -1.74 115.22 121.36 2hta n HIS 235 Ca -0.20 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.02 2hta n HIS 235 Cb 0.56 -1.04 0.12 0.00 1.12 0.00 0.00 29.99 30.75 2hta n HIS 235 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2hta s HIS 236 N -1.49 1.50 0.00 4.41 -0.00 -1.26 -4.72 115.29 113.73 2hta s HIS 236 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 55.06 54.83 2hta s HIS 236 Cb 0.00 -3.13 0.00 0.00 -0.00 0.00 0.00 32.58 29.45 2hta s HIS 236 CO 0.00 -1.86 0.00 -0.11 -0.00 0.00 0.00 174.74 172.77 2hta n LEU 237 N -2.96 0.99 -4.25 5.38 0.00 -0.33 -5.00 117.00 110.83 2hta n LEU 237 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 56.02 2hta n LEU 237 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.92 2hta n LEU 237 CO 0.42 0.17 -0.38 0.20 0.00 0.00 0.00 177.39 177.80 2hta s ASN 238 N -3.32 1.64 -0.04 1.96 0.02 -0.23 -4.82 114.94 110.15 2hta s ASN 238 Ca 0.00 -1.07 0.06 0.00 -1.02 0.00 0.00 52.86 50.83 2hta s ASN 238 Cb 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 41.25 41.28 2hta s ASN 238 CO 0.00 -0.42 -0.23 -0.69 0.02 0.00 0.00 177.10 175.78 2hta s VAL 239 N -3.43 2.24 -0.14 1.60 1.01 -1.05 -1.85 120.40 118.78 2hta s VAL 239 Ca 0.19 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 2hta s VAL 239 Cb 0.04 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2hta s VAL 239 CO 0.02 0.58 -0.04 -0.69 0.00 0.00 0.00 175.10 174.96 2hta s VAL 240 N -0.43 3.86 -0.13 2.92 1.01 -0.80 0.32 120.40 127.16 2hta s VAL 240 Ca 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 2hta s VAL 240 Cb -0.12 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2hta s VAL 240 CO 0.01 0.52 -0.08 -0.83 0.00 0.00 0.00 175.10 174.72 2hta s GLY 241 N 0.10 1.64 -0.10 4.51 0.00 -0.48 -0.85 107.32 112.14 2hta s GLY 241 Ca -0.01 -0.86 -0.07 0.00 0.00 0.00 0.00 44.72 43.78 2hta s GLY 241 CO 0.03 -0.20 0.25 0.86 0.00 0.00 0.00 173.10 174.03 2hta s TRP 242 N 0.20 -0.30 -0.05 1.90 -0.00 -0.60 -1.49 118.94 118.60 2hta s TRP 242 Ca -0.05 0.72 -0.02 0.00 -0.00 0.00 0.00 56.10 56.75 2hta s TRP 242 Cb -0.14 0.08 0.03 0.00 -0.00 0.00 0.00 33.47 33.43 2hta s TRP 242 CO 0.04 -0.18 0.11 1.21 -0.00 0.00 0.00 176.95 178.13 2hta s ASN 243 N 0.61 -0.07 0.29 5.86 3.84 -0.39 -0.96 114.94 124.11 2hta s ASN 243 Ca -0.04 0.22 0.26 0.00 0.21 0.00 0.00 52.86 53.51 2hta s ASN 243 Cb -0.05 0.14 0.93 0.00 -0.55 0.00 0.00 41.25 41.72 2hta s ASN 243 CO -0.04 -0.11 1.76 1.55 -2.79 0.00 0.00 177.10 177.47 2hta h PRO 244 N 6.91 0.00 -3.09 0.43 0.13 -1.91 -0.81 132.00 133.66 2hta h PRO 244 Ca -0.39 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 65.10 2hta h PRO 244 Cb 1.15 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 2hta h PRO 244 CO 0.44 0.00 -0.71 0.41 -0.23 0.00 0.00 178.00 177.91 2hta n GLY 245 N 0.50 -2.33 0.20 1.56 0.00 -1.26 -4.18 105.19 99.68 2hta n GLY 245 Ca 0.03 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 2hta n GLY 245 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hta h PRO 246 N -1.28 -0.27 0.11 1.61 0.13 -1.96 -2.36 132.00 127.99 2hta h PRO 246 Ca -0.04 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.13 2hta h PRO 246 Cb 1.25 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 2hta h PRO 246 CO 0.03 -0.18 -0.28 0.00 -0.23 0.00 0.00 178.00 177.34 2hta h ALA 247 N 0.64 -0.48 -0.56 -0.56 0.00 -1.93 -0.22 119.26 116.15 2hta h ALA 247 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2hta h ALA 247 Cb 0.33 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2hta h ALA 247 CO -0.14 -0.82 0.31 -0.07 0.00 0.00 0.00 179.25 178.53 2hta h LEU 248 N -0.50 0.68 -0.80 0.00 3.38 -1.72 -0.93 115.31 115.43 2hta h LEU 248 Ca 0.03 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2hta h LEU 248 Cb 0.53 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2hta h LEU 248 CO -0.17 0.55 -0.12 -1.28 0.09 0.00 0.00 178.44 177.51 2hta h SER 249 N 0.77 0.77 0.01 -0.43 0.87 -0.97 -0.70 113.55 113.88 2hta h SER 249 Ca 0.20 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2hta h SER 249 Cb 0.01 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2hta h SER 249 CO -0.03 0.91 -0.01 0.58 -0.53 0.00 0.00 176.83 177.75 2hta h VAL 250 N 0.70 1.17 0.00 2.23 2.07 -0.42 -3.21 116.25 118.79 2hta h VAL 250 Ca 0.12 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2hta h VAL 250 Cb 0.60 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2hta h VAL 250 CO 0.04 0.14 -0.11 0.77 0.02 0.00 0.00 177.57 178.43 2hta h SER 251 N -0.25 0.00 -3.48 0.57 4.64 -0.96 -3.42 113.55 110.64 2hta h SER 251 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 2hta h SER 251 Cb 0.25 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 2hta h SER 251 CO 0.00 0.11 0.91 -0.04 -0.87 0.00 0.00 176.83 176.94 2hta s MET 252 N -3.99 3.87 0.52 4.77 -1.94 -0.29 -4.92 119.30 117.32 2hta s MET 252 Ca -0.02 0.85 0.27 0.00 -1.71 0.00 0.00 55.69 55.08 2hta s MET 252 Cb 0.12 -3.85 1.43 0.00 2.01 0.00 0.00 34.83 34.54 2hta s MET 252 CO 0.57 -1.18 2.06 0.78 -0.01 0.00 0.00 175.02 177.24 2hta h GLY 253 N 10.81 0.00 -3.24 -0.03 0.00 -1.87 -2.67 103.07 106.07 2hta h GLY 253 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2hta h GLY 253 CO 1.08 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.71 2hta n ASP 254 N -3.63 5.08 -4.22 0.19 3.85 -1.26 -4.88 116.55 111.68 2hta n ASP 254 Ca -0.02 -2.61 -0.22 0.00 -0.71 0.00 0.00 54.79 51.23 2hta n ASP 254 Cb 0.24 -0.62 -0.13 0.00 -1.35 0.00 0.00 41.12 39.27 2hta n ASP 254 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 2hta s MET 255 N -2.17 1.09 0.59 0.11 1.75 -1.01 -3.20 119.30 116.45 2hta s MET 255 Ca 0.52 -0.95 -0.18 0.00 -1.25 0.00 0.00 55.69 53.83 2hta s MET 255 Cb 0.36 -1.20 -0.04 0.00 2.84 0.00 0.00 34.83 36.80 2hta s MET 255 CO 0.21 0.29 1.13 -2.14 -0.65 0.00 0.00 175.02 173.86 2hta s PRO 256 N -1.46 3.15 0.30 4.11 0.02 -1.26 -4.87 135.00 134.98 2hta s PRO 256 Ca 0.04 1.54 0.04 0.00 0.02 0.00 0.00 61.00 62.65 2hta s PRO 256 Cb -0.09 -1.98 0.68 0.00 0.02 0.00 0.00 34.50 33.13 2hta s PRO 256 CO 0.02 -1.00 1.79 -0.44 -0.33 0.00 0.00 177.00 177.04 2hta h ASP 257 N 0.78 0.82 -0.52 2.53 3.32 -1.90 0.12 116.42 121.57 2hta h ASP 257 Ca -0.49 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2hta h ASP 257 Cb 1.26 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2hta h ASP 257 CO 0.56 0.34 0.00 0.47 -1.72 0.00 0.00 179.24 178.88 2hta n ASP 258 N -4.73 5.31 -0.27 6.45 9.92 -1.26 -3.83 116.55 128.14 2hta n ASP 258 Ca 0.22 -2.91 0.04 0.00 -0.53 0.00 0.00 54.79 51.62 2hta n ASP 258 Cb 0.51 -0.65 0.18 0.00 -0.64 0.00 0.00 41.12 40.52 2hta n ASP 258 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2hta h GLY 259 N 3.58 1.20 1.29 0.44 0.00 -1.10 -1.84 103.07 106.64 2hta h GLY 259 Ca 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.17 2hta h GLY 259 CO 0.42 -0.01 0.30 0.10 0.00 0.00 0.00 176.54 177.35 2hta h TYR 260 N 0.58 0.00 0.00 5.60 -0.00 -1.81 -2.47 116.97 118.87 2hta h TYR 260 Ca 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.11 2hta h TYR 260 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.25 2hta h TYR 260 CO -0.12 0.00 -0.14 0.87 -0.00 0.00 0.00 178.16 178.77 2hta h LYS 261 N 0.00 0.00 -0.01 0.10 1.57 -1.70 -3.30 116.57 113.22 2hta h LYS 261 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2hta h LYS 261 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2hta h LYS 261 CO -0.00 0.14 0.00 0.25 -0.57 0.00 0.00 179.45 179.27 2hta n THR 262 N -3.78 1.31 -4.13 -0.16 -2.24 -0.93 -0.47 114.28 103.88 2hta n THR 262 Ca -0.02 -1.43 -0.10 0.00 -2.27 0.00 0.00 64.05 60.23 2hta n THR 262 Cb 0.25 0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 2hta n THR 262 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2hta s PHE 263 N -1.64 0.77 0.01 4.78 -0.12 -1.24 -0.39 117.98 120.15 2hta s PHE 263 Ca 0.12 -0.85 0.04 0.00 -0.05 0.00 0.00 56.93 56.19 2hta s PHE 263 Cb 0.10 -0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 42.01 2hta s PHE 263 CO 0.01 -0.17 -0.14 0.54 -0.05 0.00 0.00 175.22 175.41 2hta s VAL 264 N -3.20 1.07 -0.20 -2.49 0.11 -0.59 -4.86 120.40 110.24 2hta s VAL 264 Ca 0.06 -0.78 -0.10 0.00 -2.93 0.00 0.00 61.98 58.23 2hta s VAL 264 Cb 0.02 -0.94 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 2hta s VAL 264 CO -0.05 0.15 0.12 0.00 -3.33 0.00 0.00 175.10 172.00 2hta s VAL 266 N 0.32 1.21 -0.10 0.00 1.01 -1.02 -1.56 120.40 120.27 2hta s VAL 266 Ca 0.08 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 2hta s VAL 266 Cb -0.11 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2hta s VAL 266 CO -0.02 -0.37 -0.02 -1.61 0.00 0.00 0.00 175.10 173.09 2hta s GLU 267 N 1.50 3.13 -0.22 2.72 2.02 -0.03 -4.14 118.70 123.67 2hta s GLU 267 Ca 0.02 -0.45 -0.22 0.00 0.02 0.00 0.00 54.97 54.34 2hta s GLU 267 Cb -0.18 -2.80 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 2hta s GLU 267 CO -0.13 0.58 0.70 0.99 0.02 0.00 0.00 175.26 177.43 2hta s THR 268 N -0.56 4.95 0.02 3.63 2.01 -1.00 -1.90 115.64 122.79 2hta s THR 268 Ca 0.09 1.32 0.02 0.00 0.31 0.00 0.00 61.69 63.43 2hta s THR 268 Cb -0.12 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 2hta s THR 268 CO 0.02 0.03 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.21 2hta s VAL 269 N 2.37 0.58 -0.44 3.82 1.01 -0.77 -0.68 120.40 126.28 2hta s VAL 269 Ca 0.31 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2hta s VAL 269 Cb -0.16 -0.55 0.13 0.00 0.00 0.00 0.00 36.38 35.80 2hta s VAL 269 CO 0.09 -0.08 0.22 -0.47 0.00 0.00 0.00 175.10 174.86 2hta s TYR 270 N -0.71 2.26 0.00 5.22 5.04 0.67 -1.07 117.35 128.77 2hta s TYR 270 Ca -0.03 -2.54 0.00 0.00 -2.44 0.00 0.00 57.07 52.06 2hta s TYR 270 Cb -0.06 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.15 2hta s TYR 270 CO 0.00 -0.79 0.00 0.00 -1.34 0.00 0.00 175.55 173.42 2hta n ALA 271 N 3.58 1.34 0.98 3.97 0.00 -1.26 -1.72 120.51 127.39 2hta n ALA 271 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.63 2hta n ALA 271 Cb 0.35 0.08 0.57 0.00 0.00 0.00 0.00 19.45 20.44 2hta n ALA 271 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hta n THR 272 N -1.00 0.27 -3.76 0.00 -2.24 -1.26 -4.69 114.28 101.61 2hta n THR 272 Ca 0.00 0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 2hta n THR 272 Cb 0.16 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 67.67 2hta n THR 272 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hta s ALA 273 N -2.83 -0.60 0.43 6.98 0.00 -1.26 -5.16 121.76 119.32 2hta s ALA 273 Ca 0.16 -0.21 -0.22 0.00 0.00 0.00 0.00 51.96 51.70 2hta s ALA 273 Cb 0.16 0.47 -0.10 0.00 0.00 0.00 0.00 23.12 23.65 2hta s ALA 273 CO 0.42 -0.50 0.98 -1.25 0.00 0.00 0.00 175.76 175.41 2hta s PRO 274 N -3.28 4.13 0.12 0.00 0.04 -1.26 -4.87 135.00 129.87 2hta s PRO 274 Ca 0.00 1.25 -0.08 0.00 0.04 0.00 0.00 61.00 62.21 2hta s PRO 274 Cb 0.02 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2hta s PRO 274 CO -0.08 -0.13 0.41 -1.14 0.04 0.00 0.00 177.00 176.10 2hta s GLN 275 N -3.02 3.72 -0.12 4.56 0.74 0.86 -4.86 119.66 121.53 2hta s GLN 275 Ca 0.62 0.10 -0.01 0.00 0.05 0.00 0.00 55.36 56.11 2hta s GLN 275 Cb -0.13 -2.91 -0.03 0.00 1.10 0.00 0.00 33.01 31.04 2hta s GLN 275 CO 0.17 0.50 -0.07 -0.65 -0.55 0.00 0.00 175.29 174.70 2hta s GLN 276 N -2.26 3.30 -0.10 1.67 1.11 -1.26 -0.99 119.66 121.13 2hta s GLN 276 Ca 0.37 -0.56 -0.02 0.00 0.01 0.00 0.00 55.36 55.17 2hta s GLN 276 Cb -0.13 -2.75 -0.03 0.00 -1.01 0.00 0.00 33.01 29.09 2hta s GLN 276 CO 0.21 0.39 -0.03 0.00 0.01 0.00 0.00 175.29 175.86 2hta s ALA 277 N -0.05 3.11 0.24 6.09 0.00 0.71 -4.30 121.76 127.55 2hta s ALA 277 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.15 2hta s ALA 277 Cb -0.13 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 2hta s ALA 277 CO 0.03 0.47 0.05 0.95 0.00 0.00 0.00 175.76 177.26 2hta s THR 278 N -0.50 0.74 0.08 0.00 -4.23 -0.70 -1.59 115.64 109.44 2hta s THR 278 Ca 0.08 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.24 2hta s THR 278 Cb -0.12 -2.45 -0.14 0.00 1.34 0.00 0.00 72.50 71.13 2hta s THR 278 CO 0.02 -0.19 1.62 1.21 -0.54 0.00 0.00 174.62 176.74 2hta n GLU 279 N -0.41 2.02 0.00 3.99 0.00 -1.22 -0.87 120.64 124.14 2hta n GLU 279 Ca -0.03 0.73 0.00 0.00 0.00 0.00 0.00 57.16 57.86 2hta n GLU 279 Cb 0.65 -2.50 0.00 0.00 0.00 0.00 0.00 31.44 29.59 2hta n GLU 279 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2hta n GLU 280 N 4.08 0.00 -3.65 5.31 0.00 -1.26 -4.89 120.64 120.24 2hta n GLU 280 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 57.07 2hta n GLU 280 Cb 0.27 -1.95 -0.10 0.00 0.00 0.00 0.00 31.44 29.66 2hta n GLU 280 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2hta n LYS 281 N -1.92 1.63 -1.75 5.31 -0.00 -0.05 -5.11 118.16 116.26 2hta n LYS 281 Ca 0.00 -4.21 -0.35 0.00 -0.00 0.00 0.00 58.31 53.75 2hta n LYS 281 Cb 0.00 -2.09 0.06 0.00 -0.00 0.00 0.00 35.03 33.00 2hta n LYS 281 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2hta s PRO 282 N -1.42 2.61 0.23 -1.58 0.04 -1.24 -1.72 135.00 131.92 2hta s PRO 282 Ca 0.31 1.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 2hta s PRO 282 Cb 0.03 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 2hta s PRO 282 CO -0.13 -1.48 0.76 -1.54 0.04 0.00 0.00 177.00 174.65 2hta s SER 283 N -1.82 7.15 0.24 6.66 1.04 -0.65 -4.79 113.70 121.54 2hta s SER 283 Ca 0.76 1.52 0.06 0.00 0.48 0.00 0.00 55.95 58.77 2hta s SER 283 Cb -0.30 -2.46 -0.05 0.00 0.10 0.00 0.00 66.02 63.31 2hta s SER 283 CO 0.39 0.05 -0.07 -0.13 0.98 0.00 0.00 173.24 174.46 2hta s ARG 284 N -1.84 1.42 -0.24 4.02 3.00 -1.26 0.45 118.95 124.49 2hta s ARG 284 Ca 0.43 -1.70 -0.14 0.00 0.00 0.00 0.00 55.73 54.32 2hta s ARG 284 Cb -0.18 -0.99 0.07 0.00 0.00 0.00 0.00 34.95 33.85 2hta s ARG 284 CO 0.22 0.04 0.60 -1.17 0.00 0.00 0.00 175.30 174.99 2hta s LEU 285 N -3.37 -0.64 0.02 2.53 2.96 -0.68 -4.68 118.68 114.81 2hta s LEU 285 Ca 0.27 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.49 2hta s LEU 285 Cb 0.03 2.04 -0.01 0.00 0.50 0.00 0.00 46.19 48.75 2hta s LEU 285 CO 0.09 -0.22 -0.05 0.00 -1.32 0.00 0.00 176.35 174.85 2hta s ALA 286 N 1.48 0.33 -0.01 5.97 0.00 -0.71 0.27 121.76 129.09 2hta s ALA 286 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2hta s ALA 286 Cb -0.06 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2hta s ALA 286 CO -0.16 -0.01 0.01 -1.14 0.00 0.00 0.00 175.76 174.46 2hta s GLN 287 N -0.86 0.04 -0.08 0.00 0.74 -0.35 -1.06 119.66 118.09 2hta s GLN 287 Ca -0.06 0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.48 2hta s GLN 287 Cb -0.06 -0.20 -0.00 0.00 1.10 0.00 0.00 33.01 33.85 2hta s GLN 287 CO -0.00 -0.09 -0.22 0.99 -0.55 0.00 0.00 175.29 175.42 2hta s THR 288 N 0.63 1.88 -0.09 -0.34 2.01 -0.03 -0.69 115.64 119.02 2hta s THR 288 Ca -0.05 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.05 2hta s THR 288 Cb -0.08 -1.62 0.00 0.00 0.01 0.00 0.00 72.50 70.81 2hta s THR 288 CO -0.02 0.52 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.60 2hta s ILE 289 N 0.21 1.81 0.13 1.82 1.01 -0.11 -0.41 121.20 125.66 2hta s ILE 289 Ca -0.13 -0.88 0.09 0.00 0.00 0.00 0.00 60.65 59.73 2hta s ILE 289 Cb -0.16 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2hta s ILE 289 CO 0.06 0.50 -0.21 0.00 0.00 0.00 0.00 174.94 175.29 2hta s VAL 291 N -1.43 1.35 -0.19 0.00 1.01 -1.26 -1.02 120.40 118.86 2hta s VAL 291 Ca 0.11 -1.51 -0.09 0.00 0.00 0.00 0.00 61.98 60.49 2hta s VAL 291 Cb -0.09 -1.36 0.07 0.00 0.00 0.00 0.00 36.38 35.00 2hta s VAL 291 CO 0.06 -0.24 0.43 0.00 0.00 0.00 0.00 175.10 175.35 2hta s ALA 292 N -1.54 -1.15 0.62 5.51 0.00 -0.33 -5.01 121.76 119.88 2hta s ALA 292 Ca 0.04 1.59 -0.17 0.00 0.00 0.00 0.00 51.96 53.43 2hta s ALA 292 Cb -0.08 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 2hta s ALA 292 CO 0.03 -0.43 1.13 0.15 0.00 0.00 0.00 175.76 176.64 2hta s LYS 293 N 1.81 2.93 0.00 0.00 1.02 -1.26 -0.76 119.74 123.48 2hta s LYS 293 Ca -0.07 1.51 0.00 0.00 0.02 0.00 0.00 55.97 57.43 2hta s LYS 293 Cb -0.09 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2hta s LYS 293 CO -0.13 -1.17 0.00 0.54 -0.92 0.00 0.00 175.35 173.67