#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fta s SER 4 N -2.97 -0.28 -0.01 0.00 1.04 -1.26 -1.34 113.70 108.88 2fta s SER 4 Ca 0.37 -0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.71 2fta s SER 4 Cb 0.37 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.93 2fta s SER 4 CO -0.09 -0.71 0.06 0.54 0.98 0.00 0.00 173.24 174.03 2fta s VAL 5 N -2.76 0.03 -0.21 5.02 0.11 -0.50 -4.95 120.40 117.14 2fta s VAL 5 Ca -0.03 -0.29 -0.08 0.00 -2.93 0.00 0.00 61.98 58.65 2fta s VAL 5 Cb -0.00 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 2fta s VAL 5 CO -0.04 -0.16 0.09 -1.81 -3.33 0.00 0.00 175.10 169.85 2fta s ASP 6 N -0.48 5.64 0.01 3.54 1.01 -1.26 -1.21 116.67 123.91 2fta s ASP 6 Ca -0.05 0.02 0.05 0.00 0.71 0.00 0.00 52.55 53.28 2fta s ASP 6 Cb -0.04 -1.99 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 2fta s ASP 6 CO 0.00 0.10 -0.16 -0.63 0.21 0.00 0.00 175.17 174.68 2fta s ILE 7 N 0.85 1.29 -0.01 0.77 1.01 -0.47 -4.96 121.20 119.68 2fta s ILE 7 Ca 0.05 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.88 2fta s ILE 7 Cb -0.13 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2fta s ILE 7 CO 0.03 0.23 -0.17 -1.10 0.00 0.00 0.00 174.94 173.92 2fta s GLN 8 N -0.75 2.29 -0.19 2.79 -0.21 -1.26 -1.31 119.66 121.03 2fta s GLN 8 Ca 0.05 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.61 2fta s GLN 8 Cb -0.07 -2.26 0.03 0.00 1.00 0.00 0.00 33.01 31.71 2fta s GLN 8 CO 0.00 0.58 -0.14 0.20 -2.12 0.00 0.00 175.29 173.82 2fta s GLY 9 N -0.97 1.31 0.33 3.09 0.00 -0.61 -1.84 107.32 108.63 2fta s GLY 9 Ca 0.12 -1.21 0.05 0.00 0.00 0.00 0.00 44.72 43.68 2fta s GLY 9 CO 0.02 0.55 0.39 1.16 0.00 0.00 0.00 173.10 175.22 2fta n ASN 10 N 4.66 1.48 0.19 1.64 0.23 -0.94 -3.62 115.26 118.89 2fta n ASN 10 Ca -0.17 -1.96 0.14 0.00 -0.53 0.00 0.00 54.58 52.06 2fta n ASN 10 Cb 0.48 -0.18 0.58 0.00 -2.08 0.00 0.00 39.78 38.58 2fta n ASN 10 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2fta h ASP 11 N 0.16 0.00 -0.26 0.53 3.45 -1.92 -2.16 116.42 116.23 2fta h ASP 11 Ca -0.17 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.29 2fta h ASP 11 Cb 0.73 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 2fta h ASP 11 CO 0.26 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.93 2fta n GLN 12 N -2.56 1.79 -3.32 3.56 3.00 -1.26 -4.94 117.38 113.65 2fta n GLN 12 Ca 0.01 -1.21 -0.16 0.00 -0.01 0.00 0.00 57.00 55.64 2fta n GLN 12 Cb 0.25 -1.35 0.08 0.00 0.00 0.00 0.00 30.24 29.23 2fta n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2fta n MET 13 N 0.44 -6.00 -4.34 -1.09 2.81 -0.81 -5.04 117.12 103.10 2fta n MET 13 Ca 0.14 0.79 -0.18 0.00 -1.81 0.00 0.00 57.70 56.65 2fta n MET 13 Cb 0.32 -5.64 -0.14 0.00 -0.71 0.00 0.00 33.22 27.05 2fta n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2fta s GLN 14 N -5.23 0.73 0.10 0.03 -0.21 -1.26 -4.74 119.66 109.08 2fta s GLN 14 Ca 0.02 -0.40 -0.06 0.00 0.02 0.00 0.00 55.36 54.94 2fta s GLN 14 Cb -0.00 -0.69 -0.05 0.00 1.00 0.00 0.00 33.01 33.26 2fta s GLN 14 CO 0.68 0.18 0.35 -0.06 -2.12 0.00 0.00 175.29 174.33 2fta s PHE 15 N -0.38 3.52 -0.69 0.91 0.08 -1.26 -2.21 117.98 117.95 2fta s PHE 15 Ca 0.02 0.59 0.06 0.00 0.12 0.00 0.00 56.93 57.72 2fta s PHE 15 Cb -0.04 -2.02 0.34 0.00 -0.57 0.00 0.00 43.02 40.73 2fta s PHE 15 CO -0.00 0.50 1.02 0.27 -0.10 0.00 0.00 175.22 176.90 2fta n ASN 16 N 0.47 2.96 -3.61 1.36 2.04 -0.77 -4.78 115.26 112.93 2fta n ASN 16 Ca -0.05 -2.38 -0.16 0.00 -0.44 0.00 0.00 54.58 51.54 2fta n ASN 16 Cb 0.52 -0.58 -0.07 0.00 -2.53 0.00 0.00 39.78 37.12 2fta n ASN 16 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2fta s THR 17 N -1.73 0.02 0.00 5.53 -1.32 -1.26 -4.96 115.64 111.92 2fta s THR 17 Ca 0.23 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 2fta s THR 17 Cb 0.17 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 70.31 2fta s THR 17 CO 0.07 -0.09 0.68 -0.46 -2.21 0.00 0.00 174.62 172.60 2fta n ASN 18 N 1.13 1.33 -3.66 8.08 6.94 -1.26 -4.84 115.26 122.98 2fta n ASN 18 Ca -0.20 -1.41 -0.06 0.00 -0.02 0.00 0.00 54.58 52.89 2fta n ASN 18 Cb 0.57 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.91 2fta n ASN 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2fta s ALA 19 N -0.41 -1.58 -0.06 -2.53 0.00 -1.26 -1.46 121.76 114.47 2fta s ALA 19 Ca 0.00 2.00 0.03 0.00 0.00 0.00 0.00 51.96 53.99 2fta s ALA 19 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 2fta s ALA 19 CO 0.00 -0.59 -0.15 0.42 0.00 0.00 0.00 175.76 175.44 2fta s ILE 20 N 2.15 2.99 -0.13 0.00 1.01 0.11 -4.96 121.20 122.38 2fta s ILE 20 Ca -0.07 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.86 2fta s ILE 20 Cb -0.09 -2.18 -0.00 0.00 0.01 0.00 0.00 42.46 40.20 2fta s ILE 20 CO -0.16 0.58 -0.19 -0.89 0.00 0.00 0.00 174.94 174.27 2fta s THR 21 N -0.52 2.40 -0.25 2.92 2.01 -1.26 -1.12 115.64 119.81 2fta s THR 21 Ca 0.07 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 2fta s THR 21 Cb -0.12 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 2fta s THR 21 CO 0.01 0.54 0.07 -0.69 -0.69 0.00 0.00 174.62 173.87 2fta s VAL 22 N 0.53 4.32 0.18 3.82 1.01 0.68 -4.95 120.40 125.99 2fta s VAL 22 Ca -0.12 -0.17 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 2fta s VAL 22 Cb -0.17 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 2fta s VAL 22 CO 0.04 0.34 1.55 -0.62 0.00 0.00 0.00 175.10 176.41 2fta s ASP 23 N 1.61 6.59 0.56 3.32 -1.08 -1.26 -4.31 116.67 122.11 2fta s ASP 23 Ca 0.06 2.64 0.26 0.00 -0.52 0.00 0.00 52.55 54.99 2fta s ASP 23 Cb -0.15 -2.60 1.53 0.00 -1.46 0.00 0.00 42.92 40.24 2fta s ASP 23 CO 0.04 -0.81 2.09 0.50 0.52 0.00 0.00 175.17 177.51 2fta h LYS 24 N 6.41 0.00 0.00 4.34 3.64 -1.95 -1.14 116.57 127.87 2fta h LYS 24 Ca -0.43 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 2fta h LYS 24 Cb 1.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2fta h LYS 24 CO 0.89 0.00 -0.13 0.77 -2.27 0.00 0.00 179.45 178.70 2fta h SER 25 N 0.00 0.00 -3.90 4.20 0.02 -1.99 -3.45 113.55 108.44 2fta h SER 25 Ca 0.11 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.54 2fta h SER 25 Cb 0.51 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.12 2fta h SER 25 CO -0.00 0.13 0.59 0.00 -1.14 0.00 0.00 176.83 176.41 2fta n LYS 27 N 0.58 0.64 -3.94 0.00 4.76 -1.26 -4.65 118.16 114.28 2fta n LYS 27 Ca 0.01 0.10 -0.09 0.00 -2.87 0.00 0.00 58.31 55.47 2fta n LYS 27 Cb 0.43 -1.71 -0.09 0.00 -1.84 0.00 0.00 35.03 31.82 2fta n LYS 27 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2fta s GLN 28 N -2.98 0.66 -0.01 1.97 -0.21 -1.26 -1.51 119.66 116.32 2fta s GLN 28 Ca -0.05 -0.91 0.03 0.00 0.02 0.00 0.00 55.36 54.45 2fta s GLN 28 Cb 0.09 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.35 2fta s GLN 28 CO 0.83 -0.17 -0.10 0.12 -2.12 0.00 0.00 175.29 173.85 2fta s PHE 29 N -3.25 0.89 -0.04 0.91 5.36 -0.46 -4.83 117.98 116.56 2fta s PHE 29 Ca 0.00 -0.17 0.06 0.00 -0.96 0.00 0.00 56.93 55.86 2fta s PHE 29 Cb 0.03 -0.57 -0.01 0.00 -0.34 0.00 0.00 43.02 42.12 2fta s PHE 29 CO -0.08 -0.01 -0.24 0.99 -1.46 0.00 0.00 175.22 174.42 2fta s THR 30 N -0.25 1.94 -0.19 0.12 2.01 -0.45 -1.69 115.64 117.14 2fta s THR 30 Ca 0.04 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.01 2fta s THR 30 Cb -0.04 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.84 2fta s THR 30 CO -0.00 0.54 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.66 2fta s VAL 31 N -0.27 2.78 -0.51 3.82 1.01 0.12 -1.41 120.40 125.94 2fta s VAL 31 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 2fta s VAL 31 Cb -0.12 -2.21 0.13 0.00 0.00 0.00 0.00 36.38 34.18 2fta s VAL 31 CO 0.02 0.49 0.40 0.20 0.00 0.00 0.00 175.10 176.21 2fta s ASN 32 N 1.20 5.85 0.00 3.32 -0.87 -0.35 -1.49 114.94 122.59 2fta s ASN 32 Ca 0.02 -1.96 -0.17 0.00 -1.57 0.00 0.00 52.86 49.18 2fta s ASN 32 Cb -0.14 -2.06 -0.06 0.00 -0.02 0.00 0.00 41.25 38.97 2fta s ASN 32 CO -0.05 -0.71 0.48 -0.22 -2.57 0.00 0.00 177.10 174.02 2fta s LEU 33 N 1.30 4.46 0.20 0.60 2.96 -0.13 -1.37 118.68 126.71 2fta s LEU 33 Ca 0.06 1.04 0.01 0.00 -0.22 0.00 0.00 54.13 55.02 2fta s LEU 33 Cb -0.26 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.67 2fta s LEU 33 CO -0.00 0.25 0.06 -0.94 -1.32 0.00 0.00 176.35 174.39 2fta s SER 34 N -0.78 0.99 -0.37 3.68 1.04 -0.43 -1.25 113.70 116.59 2fta s SER 34 Ca 0.26 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2fta s SER 34 Cb -0.17 0.18 0.13 0.00 0.10 0.00 0.00 66.02 66.26 2fta s SER 34 CO 0.15 -0.68 0.19 -2.28 0.98 0.00 0.00 173.24 171.60 2fta s HIS 35 N -3.79 1.32 0.82 5.02 2.46 -1.12 -1.58 115.29 118.41 2fta s HIS 35 Ca 0.31 -1.86 -0.11 0.00 0.47 0.00 0.00 55.06 53.87 2fta s HIS 35 Cb 0.07 -1.41 0.08 0.00 -0.13 0.00 0.00 32.58 31.19 2fta s HIS 35 CO 0.08 -0.82 1.09 -2.14 -2.47 0.00 0.00 174.74 170.49 2fta s PRO 36 N 1.02 1.89 0.00 2.88 0.02 -1.24 -1.65 135.00 137.93 2fta s PRO 36 Ca 0.15 1.11 0.00 0.00 0.02 0.00 0.00 61.00 62.28 2fta s PRO 36 Cb -0.22 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.44 2fta s PRO 36 CO -0.08 -1.88 0.00 0.41 -0.33 0.00 0.00 177.00 175.12 2fta n GLY 37 N -1.07 -1.22 0.00 0.52 0.00 -1.26 -3.58 105.19 98.58 2fta n GLY 37 Ca 0.09 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2fta n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2fta n ASN 38 N 0.00 0.55 -4.74 1.61 6.94 -1.26 -4.47 115.26 113.89 2fta n ASN 38 Ca 0.00 -1.23 -0.40 0.00 -0.02 0.00 0.00 54.58 52.93 2fta n ASN 38 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 2fta n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2fta s LEU 39 N -0.23 4.52 0.82 -4.53 1.43 -1.26 -4.86 118.68 114.57 2fta s LEU 39 Ca 0.00 1.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.67 2fta s LEU 39 Cb 0.00 -3.43 0.08 0.00 0.03 0.00 0.00 46.19 42.88 2fta s LEU 39 CO 0.00 0.04 1.09 -2.16 0.23 0.00 0.00 176.35 175.55 2fta s PRO 40 N -0.37 1.88 0.46 1.29 0.04 -1.26 -1.23 135.00 135.81 2fta s PRO 40 Ca 0.42 0.75 0.20 0.00 0.04 0.00 0.00 61.00 62.40 2fta s PRO 40 Cb -0.23 -1.89 1.18 0.00 0.04 0.00 0.00 34.50 33.61 2fta s PRO 40 CO 0.27 -1.79 1.91 -0.22 0.04 0.00 0.00 177.00 177.22 2fta h LYS 41 N -1.21 0.27 0.00 4.56 3.64 -1.85 0.90 116.57 122.88 2fta h LYS 41 Ca -0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2fta h LYS 41 Cb 1.27 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2fta h LYS 41 CO 0.57 0.18 0.00 0.09 -2.27 0.00 0.00 179.45 178.02 2fta n ASN 42 N -4.44 0.00 -0.01 4.20 4.13 -1.26 -2.05 115.26 115.83 2fta n ASN 42 Ca 0.15 -0.61 -0.02 0.00 1.68 0.00 0.00 54.58 55.78 2fta n ASN 42 Cb 0.64 -0.12 -0.01 0.00 -1.54 0.00 0.00 39.78 38.75 2fta n ASN 42 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2fta n VAL 43 N -1.12 0.15 -3.17 2.41 0.31 -0.44 -4.90 118.33 111.56 2fta n VAL 43 Ca 0.19 -0.05 -0.20 0.00 -0.01 0.00 0.00 64.34 64.27 2fta n VAL 43 Cb 0.16 -0.94 -0.04 0.00 -0.91 0.00 0.00 33.84 32.11 2fta n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2fta n MET 44 N -2.77 1.16 -3.05 5.55 0.00 0.18 -5.01 117.12 113.17 2fta n MET 44 Ca -0.05 -3.51 -0.39 0.00 -0.00 0.00 0.00 57.70 53.75 2fta n MET 44 Cb 0.54 -1.70 -0.06 0.00 0.00 0.00 0.00 33.22 32.01 2fta n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2fta s GLY 45 N -2.35 2.84 0.06 -5.12 0.00 -0.87 -4.63 107.32 97.26 2fta s GLY 45 Ca 0.40 0.27 0.06 0.00 0.00 0.00 0.00 44.72 45.45 2fta s GLY 45 CO -0.09 0.81 -0.16 0.30 0.00 0.00 0.00 173.10 173.96 2fta s HIS 46 N -0.96 1.38 0.25 1.90 3.76 -0.56 -4.81 115.29 116.25 2fta s HIS 46 Ca 0.35 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.86 2fta s HIS 46 Cb -0.22 -0.79 -0.05 0.00 1.11 0.00 0.00 32.58 32.63 2fta s HIS 46 CO 0.24 0.08 0.10 0.54 -0.85 0.00 0.00 174.74 174.85 2fta s ASN 47 N -1.49 1.06 -0.18 1.40 2.20 -1.26 -0.44 114.94 116.21 2fta s ASN 47 Ca 0.02 -1.38 0.00 0.00 -0.94 0.00 0.00 52.86 50.56 2fta s ASN 47 Cb -0.09 0.19 0.04 0.00 -2.00 0.00 0.00 41.25 39.39 2fta s ASN 47 CO 0.02 -0.74 -0.09 0.86 -2.94 0.00 0.00 177.10 174.21 2fta s TRP 48 N -3.81 2.17 -0.04 1.54 -0.00 -1.26 -3.97 118.94 113.57 2fta s TRP 48 Ca 0.38 -1.40 0.05 0.00 -0.00 0.00 0.00 56.10 55.13 2fta s TRP 48 Cb 0.08 -1.53 -0.01 0.00 -0.00 0.00 0.00 33.47 32.01 2fta s TRP 48 CO 0.13 -0.70 -0.21 0.08 -0.00 0.00 0.00 176.95 176.26 2fta s VAL 49 N 1.48 1.71 -0.10 5.86 1.01 0.18 -1.35 120.40 129.20 2fta s VAL 49 Ca -0.00 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2fta s VAL 49 Cb -0.16 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2fta s VAL 49 CO -0.08 0.48 -0.18 -0.22 0.00 0.00 0.00 175.10 175.10 2fta s LEU 50 N -0.12 2.45 0.33 3.92 2.96 0.04 -0.98 118.68 127.28 2fta s LEU 50 Ca -0.02 -0.40 -0.18 0.00 -0.22 0.00 0.00 54.13 53.32 2fta s LEU 50 Cb -0.12 -1.51 0.03 0.00 0.50 0.00 0.00 46.19 45.09 2fta s LEU 50 CO 0.02 0.21 0.74 -0.94 -1.32 0.00 0.00 176.35 175.05 2fta s SER 51 N 0.09 -0.11 0.63 3.68 1.04 -0.86 -0.59 113.70 117.59 2fta s SER 51 Ca -0.08 -0.88 -0.15 0.00 0.48 0.00 0.00 55.95 55.32 2fta s SER 51 Cb -0.15 0.78 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 2fta s SER 51 CO 0.05 -1.49 1.07 0.42 0.98 0.00 0.00 173.24 174.27 2fta s THR 52 N -3.19 3.71 0.50 2.02 -4.23 -1.26 -0.84 115.64 112.36 2fta s THR 52 Ca 0.14 0.76 0.18 0.00 -1.18 0.00 0.00 61.69 61.58 2fta s THR 52 Cb -0.05 -3.31 0.31 0.00 1.34 0.00 0.00 72.50 70.79 2fta s THR 52 CO 0.09 -0.53 2.08 0.00 -0.54 0.00 0.00 174.62 175.72 2fta h ALA 53 N 0.12 2.12 0.00 3.99 0.00 -1.15 -1.28 119.26 123.06 2fta h ALA 53 Ca -0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2fta h ALA 53 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2fta h ALA 53 CO 0.56 -0.17 -0.28 0.00 0.00 0.00 0.00 179.25 179.36 2fta h ALA 54 N 1.87 0.96 0.00 0.00 0.00 -1.91 -3.17 119.26 117.02 2fta h ALA 54 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2fta h ALA 54 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2fta h ALA 54 CO -0.01 0.35 -1.16 -0.25 0.00 0.00 0.00 179.25 178.18 2fta n ASP 55 N -3.36 0.62 -0.10 0.00 10.43 -0.54 -4.55 116.55 119.03 2fta n ASP 55 Ca 0.01 -0.41 -0.13 0.00 2.57 0.00 0.00 54.79 56.83 2fta n ASP 55 Cb 0.49 1.03 -0.09 0.00 1.84 0.00 0.00 41.12 44.40 2fta n ASP 55 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 2fta h MET 56 N 0.00 -0.41 -0.39 -1.24 4.05 -1.37 0.30 114.93 115.87 2fta h MET 56 Ca 0.00 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.53 2fta h MET 56 Cb 0.70 0.09 -0.09 0.00 -0.80 0.00 0.00 31.60 31.50 2fta h MET 56 CO 0.00 -0.27 -0.32 0.37 0.23 0.00 0.00 176.91 176.91 2fta h GLN 57 N -0.43 -0.25 -0.84 0.39 5.75 -1.80 0.23 115.11 118.16 2fta h GLN 57 Ca 0.08 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.66 2fta h GLN 57 Cb 0.62 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.16 2fta h GLN 57 CO -0.55 -0.16 0.52 0.78 -2.65 0.00 0.00 178.83 176.76 2fta h GLY 58 N -0.26 1.27 1.06 2.39 0.00 -1.64 0.84 103.07 106.73 2fta h GLY 58 Ca 0.17 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 2fta h GLY 58 CO -0.53 0.24 -0.19 -2.08 0.00 0.00 0.00 176.54 173.98 2fta h VAL 59 N 0.93 1.27 0.52 4.60 2.07 0.22 -1.01 116.25 124.85 2fta h VAL 59 Ca 0.37 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 2fta h VAL 59 Cb 0.20 1.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2fta h VAL 59 CO -0.18 0.45 -0.25 0.58 0.02 0.00 0.00 177.57 178.19 2fta h VAL 60 N 0.74 0.42 -0.50 2.57 2.07 -0.05 0.19 116.25 121.69 2fta h VAL 60 Ca 0.10 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.36 2fta h VAL 60 Cb 0.75 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2fta h VAL 60 CO 0.06 0.04 0.27 0.71 0.02 0.00 0.00 177.57 178.67 2fta h THR 61 N -0.89 0.98 0.00 2.57 1.35 -0.88 -0.23 112.91 115.81 2fta h THR 61 Ca -0.07 -0.18 -0.06 0.00 -0.55 0.00 0.00 66.41 65.55 2fta h THR 61 Cb 0.61 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 2fta h THR 61 CO 0.12 0.10 -0.31 0.44 -0.25 0.00 0.00 175.52 175.61 2fta h ASP 62 N 0.52 0.00 -0.15 5.36 3.32 -1.17 -2.80 116.42 121.49 2fta h ASP 62 Ca 0.22 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 2fta h ASP 62 Cb 0.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2fta h ASP 62 CO -0.14 0.31 -0.07 1.23 -1.72 0.00 0.00 179.24 178.85 2fta h GLY 63 N 1.15 0.34 1.25 2.75 0.00 0.84 -2.66 103.07 106.74 2fta h GLY 63 Ca -0.00 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.05 2fta h GLY 63 CO 0.04 0.28 0.42 -0.33 0.00 0.00 0.00 176.54 176.95 2fta h MET 64 N -0.01 0.73 -0.65 4.80 2.86 -0.98 -1.99 114.93 119.68 2fta h MET 64 Ca 0.03 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 2fta h MET 64 Cb 0.54 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 2fta h MET 64 CO 0.02 0.48 0.15 0.00 1.06 0.00 0.00 176.91 178.62 2fta h ALA 65 N 1.63 0.85 0.00 6.32 0.00 -1.37 -2.28 119.26 124.41 2fta h ALA 65 Ca 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2fta h ALA 65 Cb 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2fta h ALA 65 CO -0.07 0.58 -0.04 0.77 0.00 0.00 0.00 179.25 180.49 2fta h SER 66 N 0.96 0.00 -3.91 0.00 0.02 -1.00 -3.48 113.55 106.14 2fta h SER 66 Ca 0.20 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 2fta h SER 66 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2fta h SER 66 CO 0.00 0.04 -0.08 0.61 -1.14 0.00 0.00 176.83 176.27 2fta n GLY 67 N -0.66 -1.45 0.37 -3.77 0.00 -0.86 -4.09 105.19 94.73 2fta n GLY 67 Ca -0.02 -1.48 0.02 0.00 0.00 0.00 0.00 46.02 44.54 2fta n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2fta h LEU 68 N -0.18 1.06 -2.03 0.99 5.85 -1.90 -0.03 115.31 119.06 2fta h LEU 68 Ca 0.00 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2fta h LEU 68 Cb 0.17 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2fta h LEU 68 CO 0.00 0.70 0.09 0.44 -0.34 0.00 0.00 178.44 179.33 2fta h ASP 69 N 1.21 0.00 -0.69 1.25 5.19 -2.01 -1.37 116.42 120.00 2fta h ASP 69 Ca 0.41 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.57 2fta h ASP 69 Cb 0.09 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.44 2fta h ASP 69 CO -0.15 0.00 0.28 0.29 -3.12 0.00 0.00 179.24 176.54 2fta n LYS 70 N -4.44 3.04 -2.25 3.56 4.01 -0.96 -4.91 118.16 116.21 2fta n LYS 70 Ca -0.00 -3.07 -0.16 0.00 -0.51 0.00 0.00 58.31 54.57 2fta n LYS 70 Cb 0.21 -2.11 -0.02 0.00 -0.51 0.00 0.00 35.03 32.59 2fta n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2fta n ASP 71 N -0.56 -4.79 -3.62 4.39 9.92 -0.52 -1.56 116.55 119.82 2fta n ASP 71 Ca 0.42 0.15 -0.26 0.00 -0.53 0.00 0.00 54.79 54.57 2fta n ASP 71 Cb 1.35 -4.07 0.05 0.00 -0.64 0.00 0.00 41.12 37.81 2fta n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2fta n TYR 72 N -3.40 -2.48 -3.95 1.24 4.01 -0.07 -4.70 117.16 107.83 2fta n TYR 72 Ca -0.19 0.87 -0.15 0.00 -0.16 0.00 0.00 57.90 58.27 2fta n TYR 72 Cb 0.63 -4.44 -0.15 0.00 -0.31 0.00 0.00 39.34 35.07 2fta n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2fta s LEU 73 N -7.17 1.51 -0.16 7.72 1.43 -0.60 -4.24 118.68 117.18 2fta s LEU 73 Ca 0.57 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 53.35 2fta s LEU 73 Cb -0.27 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.77 2fta s LEU 73 CO 0.70 -0.05 1.31 -0.75 0.23 0.00 0.00 176.35 177.79 2fta s LYS 74 N 0.57 4.22 0.16 1.70 2.20 -1.26 -4.83 119.74 122.50 2fta s LYS 74 Ca -0.05 1.71 -0.34 0.00 -0.36 0.00 0.00 55.97 56.93 2fta s LYS 74 Cb -0.08 -3.79 -0.16 0.00 -1.51 0.00 0.00 37.83 32.28 2fta s LYS 74 CO -0.01 -0.74 1.21 -2.30 -0.36 0.00 0.00 175.35 173.15 2fta n PRO 75 N 6.69 1.19 -2.17 4.03 -0.02 -1.26 -1.73 135.00 141.73 2fta n PRO 75 Ca 0.14 0.43 -0.20 0.00 -2.02 0.00 0.00 63.50 61.85 2fta n PRO 75 Cb 0.45 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 2fta n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2fta n ASP 76 N 2.13 -5.58 -4.59 2.55 8.00 -1.26 -4.88 116.55 112.91 2fta n ASP 76 Ca 0.16 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.38 2fta n ASP 76 Cb 0.24 -4.73 -0.03 0.00 -0.02 0.00 0.00 41.12 36.57 2fta n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2fta s ASP 77 N -2.23 5.29 0.67 -2.24 -1.08 -0.71 -4.81 116.67 111.55 2fta s ASP 77 Ca 0.00 1.72 0.41 0.00 -0.52 0.00 0.00 52.55 54.16 2fta s ASP 77 Cb 0.00 -2.51 2.23 0.00 -1.46 0.00 0.00 42.92 41.18 2fta s ASP 77 CO 0.00 -2.12 2.26 0.77 0.52 0.00 0.00 175.17 176.60 2fta h SER 78 N 15.79 0.00 1.37 -0.34 4.64 -1.90 -1.37 113.55 131.75 2fta h SER 78 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2fta h SER 78 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2fta h SER 78 CO 1.00 0.00 -0.05 0.54 -0.87 0.00 0.00 176.83 177.45 2fta n ARG 79 N -3.03 0.24 -2.91 4.77 1.74 -1.26 -4.71 116.66 111.49 2fta n ARG 79 Ca -0.03 0.18 -0.43 0.00 -0.77 0.00 0.00 57.85 56.80 2fta n ARG 79 Cb 0.15 -1.76 -0.05 0.00 -1.02 0.00 0.00 32.46 29.78 2fta n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2fta s VAL 80 N -3.09 4.52 0.12 1.55 1.01 -0.52 -4.47 120.40 119.52 2fta s VAL 80 Ca 0.11 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 2fta s VAL 80 Cb 0.13 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2fta s VAL 80 CO 0.60 -0.98 1.61 0.40 0.00 0.00 0.00 175.10 176.73 2fta h ILE 81 N 5.99 1.24 -2.49 2.22 2.04 -1.13 -3.46 117.51 121.91 2fta h ILE 81 Ca -0.26 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 2fta h ILE 81 Cb 1.08 1.03 -0.16 0.00 -0.74 0.00 0.00 36.82 38.03 2fta h ILE 81 CO 1.04 0.29 0.21 0.00 0.00 0.00 0.00 178.15 179.69 2fta s ALA 82 N -5.22 -1.69 -0.06 1.87 0.00 -1.22 -5.02 121.76 110.42 2fta s ALA 82 Ca -0.13 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 2fta s ALA 82 Cb 0.10 0.44 0.09 0.00 0.00 0.00 0.00 23.12 23.74 2fta s ALA 82 CO 0.77 -0.57 0.79 -3.38 0.00 0.00 0.00 175.76 173.37 2fta s HIS 83 N -2.49 -0.53 0.68 0.00 -3.43 -1.26 -0.78 115.29 107.47 2fta s HIS 83 Ca -0.05 0.84 0.04 0.00 -0.80 0.00 0.00 55.06 55.09 2fta s HIS 83 Cb -0.01 0.45 0.12 0.00 -1.43 0.00 0.00 32.58 31.71 2fta s HIS 83 CO -0.02 -0.54 0.94 0.95 -2.00 0.00 0.00 174.74 174.07 2fta s THR 84 N -1.53 2.04 0.69 -5.38 -4.23 -0.45 -4.84 115.64 101.94 2fta s THR 84 Ca -0.06 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 59.65 2fta s THR 84 Cb -0.00 -2.28 0.09 0.00 1.34 0.00 0.00 72.50 71.65 2fta s THR 84 CO 0.04 0.00 0.97 -1.59 -0.54 0.00 0.00 174.62 173.50 2fta s LYS 85 N -4.99 1.96 -0.02 3.99 -2.85 -1.26 -4.59 119.74 111.99 2fta s LYS 85 Ca 0.66 -0.74 -0.28 0.00 -1.00 0.00 0.00 55.97 54.61 2fta s LYS 85 Cb -0.05 -2.29 -0.03 0.00 -2.06 0.00 0.00 37.83 33.40 2fta s LYS 85 CO 0.43 -1.27 0.88 -1.17 0.10 0.00 0.00 175.35 174.32 2fta s LEU 86 N -5.13 4.36 0.08 2.77 2.96 -1.26 -4.48 118.68 117.98 2fta s LEU 86 Ca 0.63 1.50 0.07 0.00 -0.22 0.00 0.00 54.13 56.12 2fta s LEU 86 Cb -0.08 -3.40 -0.03 0.00 0.50 0.00 0.00 46.19 43.18 2fta s LEU 86 CO 0.43 -0.20 -0.19 0.27 -1.32 0.00 0.00 176.35 175.35 2fta s ILE 87 N 0.87 1.53 0.51 6.68 -4.36 0.41 -4.90 121.20 121.95 2fta s ILE 87 Ca 0.47 -1.40 0.07 0.00 -0.26 0.00 0.00 60.65 59.53 2fta s ILE 87 Cb -0.20 -1.40 0.07 0.00 1.25 0.00 0.00 42.46 42.18 2fta s ILE 87 CO 0.25 -0.05 0.57 0.61 0.24 0.00 0.00 174.94 176.56 2fta n GLY 88 N 1.31 2.31 3.71 6.27 0.00 -1.26 -1.49 105.19 116.04 2fta n GLY 88 Ca -0.19 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.16 2fta n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2fta n SER 89 N -2.16 2.94 0.00 1.61 3.41 -0.36 -2.12 113.62 116.94 2fta n SER 89 Ca 0.08 1.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.90 2fta n SER 89 Cb 0.55 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 2fta n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fta n GLY 90 N 0.75 1.95 4.00 5.00 0.00 -0.66 -4.92 105.19 111.32 2fta n GLY 90 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 2fta n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fta s GLU 91 N -0.19 2.87 0.09 1.61 2.02 -0.90 -4.95 118.70 119.25 2fta s GLU 91 Ca 0.00 -1.14 -0.15 0.00 0.02 0.00 0.00 54.97 53.70 2fta s GLU 91 Cb 0.00 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.51 2fta s GLU 91 CO 0.00 -0.24 0.37 -1.59 0.02 0.00 0.00 175.26 173.82 2fta s LYS 92 N -4.35 0.98 -0.18 1.61 -2.85 -1.26 -2.80 119.74 110.87 2fta s LYS 92 Ca 0.53 -0.63 -0.27 0.00 -1.00 0.00 0.00 55.97 54.59 2fta s LYS 92 Cb -0.10 0.43 0.07 0.00 -2.06 0.00 0.00 37.83 36.17 2fta s LYS 92 CO 0.33 -0.36 0.71 0.34 0.10 0.00 0.00 175.35 176.48 2fta s ASP 93 N -2.54 -0.70 0.17 0.03 2.15 -0.38 -5.01 116.67 110.38 2fta s ASP 93 Ca 0.00 1.14 0.11 0.00 0.43 0.00 0.00 52.55 54.24 2fta s ASP 93 Cb 0.01 1.09 -0.04 0.00 -0.30 0.00 0.00 42.92 43.68 2fta s ASP 93 CO -0.09 -0.39 -0.24 -0.44 -0.17 0.00 0.00 175.17 173.85 2fta s SER 94 N -0.25 3.48 -0.01 -0.34 0.01 -1.26 -0.95 113.70 114.38 2fta s SER 94 Ca -0.04 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2fta s SER 94 Cb -0.03 -0.29 0.01 0.00 0.21 0.00 0.00 66.02 65.92 2fta s SER 94 CO 0.04 0.14 -0.00 0.54 0.41 0.00 0.00 173.24 174.37 2fta s VAL 95 N -1.47 0.09 -0.02 3.43 0.11 -0.55 -4.91 120.40 117.07 2fta s VAL 95 Ca 0.19 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.33 2fta s VAL 95 Cb -0.09 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.62 2fta s VAL 95 CO 0.09 0.06 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.82 2fta s THR 96 N 0.41 1.67 0.06 5.04 2.01 -1.26 -0.70 115.64 122.86 2fta s THR 96 Ca -0.04 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.07 2fta s THR 96 Cb -0.06 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 2fta s THR 96 CO -0.01 0.47 -0.04 0.72 -0.69 0.00 0.00 174.62 175.07 2fta s PHE 97 N -0.44 0.58 0.20 4.92 -0.12 -0.68 -4.97 117.98 117.47 2fta s PHE 97 Ca 0.07 -0.90 -0.30 0.00 -0.05 0.00 0.00 56.93 55.74 2fta s PHE 97 Cb -0.09 -0.39 -0.08 0.00 -0.63 0.00 0.00 43.02 41.83 2fta s PHE 97 CO -0.00 -0.27 1.07 -0.51 -0.05 0.00 0.00 175.22 175.46 2fta s ASP 98 N -2.62 7.32 0.55 1.98 1.01 -1.26 -1.35 116.67 122.30 2fta s ASP 98 Ca 0.03 2.08 0.32 0.00 0.71 0.00 0.00 52.55 55.70 2fta s ASP 98 Cb 0.03 -2.61 1.58 0.00 1.01 0.00 0.00 42.92 42.93 2fta s ASP 98 CO -0.07 -0.16 2.09 0.58 0.21 0.00 0.00 175.17 177.83 2fta h VAL 99 N 3.58 0.29 0.00 -1.27 2.07 -1.54 -1.40 116.25 117.99 2fta h VAL 99 Ca -0.45 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2fta h VAL 99 Cb 1.21 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2fta h VAL 99 CO 0.71 0.07 0.00 -1.54 0.02 0.00 0.00 177.57 176.83 2fta n SER 100 N -3.35 0.11 0.20 0.57 3.41 -1.26 -0.76 113.62 112.54 2fta n SER 100 Ca -0.01 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.28 2fta n SER 100 Cb 0.24 -0.56 0.45 0.00 -0.26 0.00 0.00 64.21 64.08 2fta n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2fta h LYS 101 N 0.00 0.00 -6.22 4.33 1.79 -1.64 -3.45 116.57 111.38 2fta h LYS 101 Ca 0.00 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.99 2fta h LYS 101 Cb 0.08 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 2fta h LYS 101 CO 0.00 0.00 -0.45 -0.51 -1.08 0.00 0.00 179.45 177.41 2fta s LEU 102 N -5.52 3.88 -0.02 2.94 1.43 0.06 -5.12 118.68 116.33 2fta s LEU 102 Ca 0.05 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2fta s LEU 102 Cb 0.09 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.84 2fta s LEU 102 CO 0.56 -0.20 -0.02 -0.75 0.23 0.00 0.00 176.35 176.16 2fta s LYS 103 N -3.97 0.33 0.32 1.70 2.20 -1.26 -5.06 119.74 114.00 2fta s LYS 103 Ca 0.38 -0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.66 2fta s LYS 103 Cb -0.08 -0.41 -0.10 0.00 -1.51 0.00 0.00 37.83 35.73 2fta s LYS 103 CO 0.27 -0.03 1.36 -1.21 -0.36 0.00 0.00 175.35 175.39 2fta s GLU 104 N 0.49 4.29 0.00 4.03 2.02 -1.26 -2.72 118.70 125.55 2fta s GLU 104 Ca -0.05 2.30 0.00 0.00 0.02 0.00 0.00 54.97 57.24 2fta s GLU 104 Cb -0.08 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.09 2fta s GLU 104 CO -0.01 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.39 2fta n GLY 105 N 0.99 0.73 3.54 -1.39 0.00 -1.26 -5.06 105.19 102.73 2fta n GLY 105 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2fta n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fta s GLU 106 N -0.45 2.47 -0.42 1.61 2.56 -1.10 -5.09 118.70 118.28 2fta s GLU 106 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 54.97 54.03 2fta s GLU 106 Cb 0.00 -2.42 0.02 0.00 2.00 0.00 0.00 34.13 33.73 2fta s GLU 106 CO 0.00 0.60 0.59 -0.65 -0.56 0.00 0.00 175.26 175.24 2fta s GLN 107 N -1.19 3.32 0.05 4.30 -0.21 -1.26 -4.87 119.66 119.79 2fta s GLN 107 Ca 0.15 -0.38 0.03 0.00 0.02 0.00 0.00 55.36 55.18 2fta s GLN 107 Cb -0.11 -3.92 -0.04 0.00 1.00 0.00 0.00 33.01 29.94 2fta s GLN 107 CO 0.05 -0.92 0.00 0.71 -2.12 0.00 0.00 175.29 173.01 2fta s TYR 108 N 2.64 3.03 -0.02 0.91 2.02 -1.24 -0.60 117.35 124.10 2fta s TYR 108 Ca 0.20 0.02 0.05 0.00 -0.37 0.00 0.00 57.07 56.98 2fta s TYR 108 Cb -0.15 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 39.80 2fta s TYR 108 CO 0.17 0.47 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.81 2fta s MET 109 N -1.96 1.46 0.08 -0.62 -1.94 -0.02 -1.82 119.30 114.49 2fta s MET 109 Ca 0.23 -0.60 0.06 0.00 -1.71 0.00 0.00 55.69 53.68 2fta s MET 109 Cb -0.12 -1.37 -0.04 0.00 2.01 0.00 0.00 34.83 35.32 2fta s MET 109 CO 0.15 0.32 -0.09 -0.59 -0.01 0.00 0.00 175.02 174.80 2fta s PHE 110 N -0.26 2.77 0.07 -0.03 -0.12 0.08 -2.03 117.98 118.46 2fta s PHE 110 Ca 0.04 -0.13 -0.27 0.00 -0.05 0.00 0.00 56.93 56.51 2fta s PHE 110 Cb -0.08 -1.47 0.08 0.00 -0.63 0.00 0.00 43.02 40.92 2fta s PHE 110 CO 0.00 0.41 1.02 -0.59 -0.05 0.00 0.00 175.22 176.00 2fta s PHE 111 N -1.16 -0.16 -0.21 3.49 -0.71 -0.15 -1.23 117.98 117.84 2fta s PHE 111 Ca 0.20 -0.07 -0.09 0.00 -1.04 0.00 0.00 56.93 55.94 2fta s PHE 111 Cb -0.11 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 2fta s PHE 111 CO 0.12 -0.64 0.10 0.00 -1.34 0.00 0.00 175.22 173.46 2fta h THR 113 N 5.03 1.26 0.00 0.00 1.35 -1.87 -1.52 112.91 117.17 2fta h THR 113 Ca -0.37 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2fta h THR 113 Cb 1.17 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2fta h THR 113 CO 0.66 0.39 0.00 1.55 -0.25 0.00 0.00 175.52 177.87 2fta h PRO 114 N 0.92 0.00 -2.11 4.72 0.13 -1.87 -3.33 132.00 130.46 2fta h PRO 114 Ca 0.18 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.73 2fta h PRO 114 Cb 0.47 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.20 2fta h PRO 114 CO 0.02 0.00 -0.82 0.72 -0.23 0.00 0.00 178.00 177.69 2fta n HIS 115 N -3.00 1.92 0.15 1.56 8.25 -1.08 -4.95 115.22 118.07 2fta n HIS 115 Ca 0.03 -3.90 0.08 0.00 -0.26 0.00 0.00 57.72 53.67 2fta n HIS 115 Cb 0.43 -0.47 0.45 0.00 1.12 0.00 0.00 29.99 31.52 2fta n HIS 115 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2fta n PRO 116 N 1.02 0.11 0.00 -0.41 -0.04 -0.59 -0.37 135.00 134.71 2fta n PRO 116 Ca 0.26 0.59 0.12 0.00 -0.04 0.00 0.00 63.50 64.43 2fta n PRO 116 Cb 0.47 -1.99 0.57 0.00 -0.04 0.00 0.00 33.50 32.51 2fta n PRO 116 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2fta n PHE 117 N -2.11 0.00 -3.12 0.54 1.16 -1.26 -4.25 117.46 108.42 2fta n PHE 117 Ca -0.01 0.00 -0.45 0.00 -1.87 0.00 0.00 57.45 55.12 2fta n PHE 117 Cb 0.16 -0.41 -0.05 0.00 -1.61 0.00 0.00 39.48 37.57 2fta n PHE 117 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 2fta s MET 118 N -2.82 3.05 0.27 3.97 -1.94 0.50 -4.99 119.30 117.34 2fta s MET 118 Ca 0.17 -1.25 -0.18 0.00 -1.71 0.00 0.00 55.69 52.72 2fta s MET 118 Cb 0.16 -4.24 0.01 0.00 2.01 0.00 0.00 34.83 32.78 2fta s MET 118 CO 0.42 -1.49 0.62 -1.59 -0.01 0.00 0.00 175.02 172.98 2fta s LYS 119 N 2.66 1.70 0.12 2.03 -2.85 -1.26 -2.04 119.74 120.11 2fta s LYS 119 Ca 0.12 -1.11 -0.24 0.00 -1.00 0.00 0.00 55.97 53.74 2fta s LYS 119 Cb -0.23 0.55 0.08 0.00 -2.06 0.00 0.00 37.83 36.17 2fta s LYS 119 CO 0.07 -0.75 1.11 0.20 0.10 0.00 0.00 175.35 176.07 2fta s GLY 120 N -2.96 -0.00 0.17 0.59 0.00 -0.37 -4.76 107.32 99.98 2fta s GLY 120 Ca 0.16 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.76 2fta s GLY 120 CO 0.08 2.80 0.31 -0.51 0.00 0.00 0.00 173.10 175.78 2fta s THR 121 N -2.24 5.30 -0.04 0.90 -4.23 -0.53 -0.74 115.64 114.05 2fta s THR 121 Ca 0.22 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2fta s THR 121 Cb -0.01 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 70.09 2fta s THR 121 CO 0.03 -0.13 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.74 2fta s LEU 122 N -3.34 1.10 0.05 4.79 0.20 -0.76 0.05 118.68 120.78 2fta s LEU 122 Ca 0.35 -0.08 0.04 0.00 0.69 0.00 0.00 54.13 55.13 2fta s LEU 122 Cb -0.11 -0.36 -0.02 0.00 -0.43 0.00 0.00 46.19 45.27 2fta s LEU 122 CO 0.29 -0.10 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.23 2fta s THR 123 N 1.19 0.99 -2.23 3.68 2.01 -0.28 -3.63 115.64 117.38 2fta s THR 123 Ca -0.07 -1.11 0.30 0.00 0.31 0.00 0.00 61.69 61.12 2fta s THR 123 Cb -0.14 -0.94 0.75 0.00 0.01 0.00 0.00 72.50 72.18 2fta s THR 123 CO -0.02 -0.15 2.01 -0.11 -0.69 0.00 0.00 174.62 175.66