#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 -1.96 -0.36 -0.05 0.00 1.04 -1.26 -1.61 113.70 109.50 2fta s SER 4 Ca 0.57 -0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.78 2fta s SER 4 Cb 0.47 0.52 0.01 0.00 0.10 0.00 0.00 66.02 67.12 2fta s SER 4 CO 0.04 -0.88 0.13 0.54 0.98 0.00 0.00 173.24 174.04 2fta s VAL 5 N -3.69 -0.00 -0.22 5.02 0.11 -0.62 -4.97 120.40 116.03 2fta s VAL 5 Ca 0.02 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 2fta s VAL 5 Cb 0.01 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 2fta s VAL 5 CO -0.12 0.00 0.11 -1.81 -3.33 0.00 0.00 175.10 169.96 2fta s ASP 6 N 0.13 5.84 -0.01 3.54 1.01 -1.26 -1.08 116.67 124.84 2fta s ASP 6 Ca -0.01 0.08 0.05 0.00 0.71 0.00 0.00 52.55 53.38 2fta s ASP 6 Cb -0.01 -2.03 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 2fta s ASP 6 CO -0.00 0.11 -0.17 -0.63 0.21 0.00 0.00 175.17 174.68 2fta s ILE 7 N 0.79 1.35 -0.04 0.77 1.01 0.04 -4.95 121.20 120.16 2fta s ILE 7 Ca 0.06 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.02 2fta s ILE 7 Cb -0.13 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 2fta s ILE 7 CO 0.02 0.37 -0.18 -1.10 0.00 0.00 0.00 174.94 174.05 2fta s GLN 8 N -0.42 2.41 -0.16 2.79 -0.21 -1.26 -1.30 119.66 121.51 2fta s GLN 8 Ca 0.07 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.68 2fta s GLN 8 Cb -0.07 -2.27 0.01 0.00 1.00 0.00 0.00 33.01 31.69 2fta s GLN 8 CO -0.01 0.58 -0.20 0.20 -2.12 0.00 0.00 175.29 173.74 2fta s GLY 9 N -0.63 1.39 0.42 3.09 0.00 -0.52 -1.83 107.32 109.24 2fta s GLY 9 Ca 0.09 -1.15 0.05 0.00 0.00 0.00 0.00 44.72 43.71 2fta s GLY 9 CO 0.00 0.13 0.40 1.16 0.00 0.00 0.00 173.10 174.80 2fta n ASN 10 N 4.34 2.05 0.26 1.64 0.23 -0.74 -3.59 115.26 119.45 2fta n ASN 10 Ca -0.20 -2.31 0.13 0.00 -0.53 0.00 0.00 54.58 51.67 2fta n ASN 10 Cb 0.51 -0.13 0.70 0.00 -2.08 0.00 0.00 39.78 38.77 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 0.34 0.00 -0.22 0.53 3.45 -1.91 -2.34 116.42 116.27 2fta h ASP 11 Ca -0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.22 2fta h ASP 11 Cb 0.94 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 2fta h ASP 11 CO 0.36 0.13 0.00 0.00 -1.57 0.00 0.00 179.24 178.16 2fta n GLN 12 N -3.50 1.67 -3.42 3.56 3.00 -1.26 -4.91 117.38 112.51 2fta n GLN 12 Ca -0.01 -0.86 -0.18 0.00 -0.01 0.00 0.00 57.00 55.94 2fta n GLN 12 Cb 0.28 -1.29 0.07 0.00 0.00 0.00 0.00 30.24 29.30 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 0.18 -4.50 -4.08 -1.09 2.81 -0.88 -5.03 117.12 104.52 2fta n MET 13 Ca 0.08 0.80 -0.15 0.00 -1.81 0.00 0.00 57.70 56.61 2fta n MET 13 Cb 0.26 -5.64 -0.14 0.00 -0.71 0.00 0.00 33.22 26.99 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 -5.16 0.33 0.26 0.03 -0.21 -1.26 -4.76 119.66 108.89 2fta s GLN 14 Ca 0.19 -0.13 -0.03 0.00 0.02 0.00 0.00 55.36 55.41 2fta s GLN 14 Cb -0.03 -0.33 -0.05 0.00 1.00 0.00 0.00 33.01 33.60 2fta s GLN 14 CO 0.75 0.07 0.49 -0.06 -2.12 0.00 0.00 175.29 174.42 2fta s PHE 15 N -0.01 3.48 -0.44 0.91 0.08 -1.26 -1.79 117.98 118.95 2fta s PHE 15 Ca 0.01 0.50 0.09 0.00 0.12 0.00 0.00 56.93 57.65 2fta s PHE 15 Cb -0.02 -1.99 0.57 0.00 -0.57 0.00 0.00 43.02 41.00 2fta s PHE 15 CO -0.00 0.25 1.44 0.27 -0.10 0.00 0.00 175.22 177.08 2fta n ASN 16 N -0.88 4.26 -3.47 1.36 2.04 -0.76 -4.84 115.26 112.96 2fta n ASN 16 Ca -0.03 -2.75 -0.14 0.00 -0.44 0.00 0.00 54.58 51.22 2fta n ASN 16 Cb 0.54 -0.65 -0.03 0.00 -2.53 0.00 0.00 39.78 37.10 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 -2.28 0.00 -0.03 5.53 -1.32 -1.26 -4.97 115.64 111.31 2fta s THR 17 Ca 0.39 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.92 2fta s THR 17 Cb 0.31 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.36 2fta s THR 17 CO 0.11 0.00 0.90 -0.46 -2.21 0.00 0.00 174.62 172.96 2fta n ASN 18 N 0.12 1.04 -3.65 8.08 6.94 -1.26 -4.80 115.26 121.73 2fta n ASN 18 Ca -0.17 -1.98 -0.03 0.00 -0.02 0.00 0.00 54.58 52.38 2fta n ASN 18 Cb 0.62 -0.15 -0.06 0.00 -2.36 0.00 0.00 39.78 37.83 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 -0.92 -1.78 -0.08 -2.53 0.00 -1.26 -1.28 121.76 113.91 2fta s ALA 19 Ca 0.07 2.11 0.04 0.00 0.00 0.00 0.00 51.96 54.18 2fta s ALA 19 Cb 0.06 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 2fta s ALA 19 CO 0.01 -0.85 -0.21 0.42 0.00 0.00 0.00 175.76 175.12 2fta s ILE 20 N 2.76 2.35 -0.16 0.00 1.01 0.02 -4.96 121.20 122.21 2fta s ILE 20 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.66 2fta s ILE 20 Cb -0.12 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.46 2fta s ILE 20 CO -0.17 0.56 -0.16 -0.89 0.00 0.00 0.00 174.94 174.28 2fta s THR 21 N -0.02 2.54 -0.28 2.92 2.01 -1.26 -1.72 115.64 119.83 2fta s THR 21 Ca -0.07 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 2fta s THR 21 Cb -0.15 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 2fta s THR 21 CO 0.05 0.52 0.19 -0.69 -0.69 0.00 0.00 174.62 173.99 2fta s VAL 22 N 0.95 5.27 -0.00 3.82 1.01 0.61 -4.97 120.40 127.08 2fta s VAL 22 Ca -0.03 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2fta s VAL 22 Cb -0.15 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 2fta s VAL 22 CO -0.03 0.24 1.85 -0.62 0.00 0.00 0.00 175.10 176.55 2fta s ASP 23 N 1.75 6.51 0.55 3.32 -1.08 -1.26 -1.24 116.67 125.23 2fta s ASP 23 Ca 0.07 2.49 0.39 0.00 -0.52 0.00 0.00 52.55 54.98 2fta s ASP 23 Cb -0.16 -2.53 1.57 0.00 -1.46 0.00 0.00 42.92 40.34 2fta s ASP 23 CO 0.11 -1.02 1.73 0.07 0.52 0.00 0.00 175.17 176.57 2fta h LYS 24 N 10.28 0.00 -0.00 4.34 2.10 -1.06 0.23 116.57 132.47 2fta h LYS 24 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2fta h LYS 24 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2fta h LYS 24 CO 0.95 0.00 -0.01 -1.13 -2.00 0.00 0.00 179.45 177.26 2fta n SER 25 N -4.05 0.02 -4.75 7.07 3.41 -1.26 -4.83 113.62 109.23 2fta n SER 25 Ca 0.29 -0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.45 2fta n SER 25 Cb 1.42 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 65.01 2fta n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fta h LYS 27 N 4.63 0.19 -6.03 0.00 1.79 -1.88 -3.42 116.57 111.85 2fta h LYS 27 Ca -0.45 -0.33 -0.56 0.00 -2.18 0.00 0.00 60.65 57.13 2fta h LYS 27 Cb 1.21 0.12 -0.25 0.00 -1.58 0.00 0.00 32.23 31.74 2fta h LYS 27 CO 0.70 1.16 -0.83 1.14 -1.08 0.00 0.00 179.45 180.54 2fta s GLN 28 N -2.50 1.27 -0.03 3.15 -2.07 -1.26 -0.92 119.66 117.30 2fta s GLN 28 Ca -0.24 -0.98 0.05 0.00 -1.82 0.00 0.00 55.36 52.37 2fta s GLN 28 Cb 0.06 -1.42 -0.01 0.00 -1.09 0.00 0.00 33.01 30.56 2fta s GLN 28 CO 0.72 0.35 -0.19 0.12 -1.32 0.00 0.00 175.29 174.97 2fta s PHE 29 N -0.91 1.77 -0.05 9.60 5.36 -0.33 -4.85 117.98 128.58 2fta s PHE 29 Ca 0.07 -0.41 0.06 0.00 -0.96 0.00 0.00 56.93 55.69 2fta s PHE 29 Cb -0.09 -1.16 -0.01 0.00 -0.34 0.00 0.00 43.02 41.42 2fta s PHE 29 CO 0.02 -0.09 -0.25 0.99 -1.46 0.00 0.00 175.22 174.44 2fta s THR 30 N -0.26 2.10 -0.21 0.12 2.01 -0.63 -1.70 115.64 117.06 2fta s THR 30 Ca 0.03 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 2fta s THR 30 Cb -0.09 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.68 2fta s THR 30 CO 0.01 0.57 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.71 2fta s VAL 31 N -0.28 2.74 -0.51 3.82 1.01 -0.34 -1.59 120.40 125.26 2fta s VAL 31 Ca -0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 2fta s VAL 31 Cb -0.13 -2.25 0.11 0.00 0.00 0.00 0.00 36.38 34.12 2fta s VAL 31 CO 0.03 0.43 0.45 0.20 0.00 0.00 0.00 175.10 176.20 2fta s ASN 32 N 1.37 6.10 -0.03 3.32 0.02 -0.24 -1.98 114.94 123.50 2fta s ASN 32 Ca 0.04 -1.67 -0.14 0.00 -1.02 0.00 0.00 52.86 50.07 2fta s ASN 32 Cb -0.14 -2.17 -0.05 0.00 0.02 0.00 0.00 41.25 38.90 2fta s ASN 32 CO -0.07 -0.77 0.37 -0.22 0.02 0.00 0.00 177.10 176.42 2fta s LEU 33 N 1.58 4.44 0.23 0.60 2.96 0.03 -0.78 118.68 127.73 2fta s LEU 33 Ca 0.04 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 2fta s LEU 33 Cb -0.28 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 2fta s LEU 33 CO 0.03 0.30 0.15 -0.94 -1.32 0.00 0.00 176.35 174.57 2fta s SER 34 N -0.85 0.48 -0.37 3.68 1.04 -0.42 -1.50 113.70 115.76 2fta s SER 34 Ca 0.22 -1.44 0.01 0.00 0.48 0.00 0.00 55.95 55.22 2fta s SER 34 Cb -0.16 0.39 0.14 0.00 0.10 0.00 0.00 66.02 66.49 2fta s SER 34 CO 0.11 -0.86 0.23 -2.28 0.98 0.00 0.00 173.24 171.42 2fta s HIS 35 N -4.02 0.94 1.05 5.02 2.46 -1.18 -1.44 115.29 118.12 2fta s HIS 35 Ca 0.39 -1.81 -0.12 0.00 0.47 0.00 0.00 55.06 53.98 2fta s HIS 35 Cb 0.06 -1.05 0.22 0.00 -0.13 0.00 0.00 32.58 31.68 2fta s HIS 35 CO 0.14 -0.82 1.07 -2.14 -2.47 0.00 0.00 174.74 170.52 2fta s PRO 36 N 0.85 0.04 0.00 2.88 0.02 -1.24 -1.90 135.00 135.65 2fta s PRO 36 Ca 0.20 0.78 0.00 0.00 0.02 0.00 0.00 61.00 62.00 2fta s PRO 36 Cb -0.20 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.65 2fta s PRO 36 CO -0.02 -3.07 0.00 0.41 -0.33 0.00 0.00 177.00 174.00 2fta n GLY 37 N -0.21 -1.32 0.39 0.52 0.00 -1.26 -4.03 105.19 99.28 2fta n GLY 37 Ca 0.05 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 0.13 -4.71 1.61 6.94 -1.26 -4.50 115.26 113.46 2fta n ASN 38 Ca 0.00 -1.88 -0.37 0.00 -0.02 0.00 0.00 54.58 52.31 2fta n ASN 38 Cb 0.00 -0.18 -0.07 0.00 -2.36 0.00 0.00 39.78 37.18 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 -0.15 4.23 0.96 -4.53 1.43 -1.26 -4.89 118.68 114.47 2fta s LEU 39 Ca 0.02 0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 2fta s LEU 39 Cb 0.01 -2.47 0.16 0.00 0.03 0.00 0.00 46.19 43.93 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 0.67 0.75 0.54 1.29 0.04 -1.26 -1.19 135.00 135.84 2fta s PRO 40 Ca 0.19 0.99 0.27 0.00 0.04 0.00 0.00 61.00 62.49 2fta s PRO 40 Cb -0.14 -1.74 1.44 0.00 0.04 0.00 0.00 34.50 34.10 2fta s PRO 40 CO 0.06 -2.63 1.97 -0.22 0.04 0.00 0.00 177.00 176.22 2fta h LYS 41 N -1.84 0.00 -0.00 4.56 3.64 -1.85 0.58 116.57 121.65 2fta h LYS 41 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2fta h LYS 41 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2fta h LYS 41 CO 0.51 0.00 -0.13 0.09 -2.27 0.00 0.00 179.45 177.65 2fta n ASN 42 N -4.26 0.52 -0.04 4.20 5.03 -1.26 -2.78 115.26 116.67 2fta n ASN 42 Ca 0.11 -0.58 -0.06 0.00 0.87 0.00 0.00 54.58 54.91 2fta n ASN 42 Cb 0.66 -0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 39.33 2fta n ASN 42 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2fta n VAL 43 N -0.94 0.43 -3.17 2.41 0.31 -0.37 -4.89 118.33 112.11 2fta n VAL 43 Ca 0.14 -0.14 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 2fta n VAL 43 Cb 0.29 -1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 32.13 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 -2.94 0.97 -3.02 5.55 0.00 0.05 -5.01 117.12 112.72 2fta n MET 44 Ca -0.14 -3.31 -0.38 0.00 -0.00 0.00 0.00 57.70 53.87 2fta n MET 44 Cb 0.63 -1.67 -0.06 0.00 0.00 0.00 0.00 33.22 32.12 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 2.80 0.07 -5.12 0.00 -1.12 -4.66 107.32 96.93 2fta s GLY 45 Ca 0.39 0.29 0.05 0.00 0.00 0.00 0.00 44.72 45.45 2fta s GLY 45 CO -0.08 0.74 -0.15 0.30 0.00 0.00 0.00 173.10 173.91 2fta s HIS 46 N -1.30 1.29 0.13 1.90 3.76 -0.49 -4.82 115.29 115.77 2fta s HIS 46 Ca 0.39 -0.43 -0.00 0.00 -0.15 0.00 0.00 55.06 54.87 2fta s HIS 46 Cb -0.20 -0.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.71 2fta s HIS 46 CO 0.24 0.07 0.02 0.54 -0.85 0.00 0.00 174.74 174.76 2fta s ASN 47 N -1.62 0.66 -0.21 1.40 2.20 -1.26 -0.51 114.94 115.59 2fta s ASN 47 Ca -0.00 -1.16 -0.00 0.00 -0.94 0.00 0.00 52.86 50.76 2fta s ASN 47 Cb -0.10 0.22 0.02 0.00 -2.00 0.00 0.00 41.25 39.39 2fta s ASN 47 CO 0.02 -0.65 -0.13 0.86 -2.94 0.00 0.00 177.10 174.27 2fta s TRP 48 N -3.89 2.93 -0.04 1.54 -0.00 -1.26 -3.88 118.94 114.34 2fta s TRP 48 Ca 0.21 -1.56 0.03 0.00 -0.00 0.00 0.00 56.10 54.78 2fta s TRP 48 Cb 0.07 -1.99 0.00 0.00 -0.00 0.00 0.00 33.47 31.55 2fta s TRP 48 CO 0.00 -0.75 -0.13 0.08 -0.00 0.00 0.00 176.95 176.15 2fta s VAL 49 N 1.32 1.15 -0.08 5.86 1.01 -0.07 -0.95 120.40 128.63 2fta s VAL 49 Ca 0.03 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2fta s VAL 49 Cb -0.15 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2fta s VAL 49 CO -0.08 0.35 -0.10 -0.22 0.00 0.00 0.00 175.10 175.04 2fta s LEU 50 N 0.27 2.93 0.27 3.92 2.96 -0.17 -0.93 118.68 127.93 2fta s LEU 50 Ca -0.07 -0.16 -0.21 0.00 -0.22 0.00 0.00 54.13 53.48 2fta s LEU 50 Cb -0.12 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 44.98 2fta s LEU 50 CO 0.02 0.29 0.82 -0.94 -1.32 0.00 0.00 176.35 175.22 2fta s SER 51 N -0.40 -0.15 0.82 3.68 1.04 -0.52 -1.03 113.70 117.14 2fta s SER 51 Ca 0.05 -0.71 -0.11 0.00 0.48 0.00 0.00 55.95 55.65 2fta s SER 51 Cb -0.12 0.69 0.08 0.00 0.10 0.00 0.00 66.02 66.77 2fta s SER 51 CO 0.02 -1.32 1.09 0.42 0.98 0.00 0.00 173.24 174.44 2fta s THR 52 N -3.21 3.05 0.13 2.02 -4.23 -1.26 -0.82 115.64 111.32 2fta s THR 52 Ca 0.13 0.34 -0.17 0.00 -1.18 0.00 0.00 61.69 60.81 2fta s THR 52 Cb -0.05 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 2fta s THR 52 CO 0.07 -0.45 1.72 0.00 -0.54 0.00 0.00 174.62 175.42 2fta h ALA 53 N -1.22 0.43 0.00 3.99 0.00 -1.91 -2.61 119.26 117.93 2fta h ALA 53 Ca -0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2fta h ALA 53 Cb 1.26 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2fta h ALA 53 CO 0.56 -0.03 -0.09 0.00 0.00 0.00 0.00 179.25 179.69 2fta h ALA 54 N 1.03 1.21 0.00 0.00 0.00 -1.94 -2.91 119.26 116.65 2fta h ALA 54 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2fta h ALA 54 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2fta h ALA 54 CO -0.02 0.12 -0.75 -0.25 0.00 0.00 0.00 179.25 178.35 2fta n ASP 55 N -3.50 0.62 0.18 0.00 10.43 -1.04 -4.52 116.55 118.72 2fta n ASP 55 Ca -0.02 -0.17 -0.15 0.00 2.57 0.00 0.00 54.79 57.02 2fta n ASP 55 Cb 0.23 0.46 -0.07 0.00 1.84 0.00 0.00 41.12 43.58 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 -0.63 -0.81 -1.24 4.05 -1.26 -0.92 114.93 114.11 2fta h MET 56 Ca 0.00 0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.60 2fta h MET 56 Cb 0.65 0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 31.53 2fta h MET 56 CO 0.00 -0.42 0.53 0.37 0.23 0.00 0.00 176.91 177.62 2fta h GLN 57 N -0.66 0.57 -0.21 0.39 4.15 -1.79 0.17 115.11 117.73 2fta h GLN 57 Ca -0.00 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.26 2fta h GLN 57 Cb 0.62 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 2fta h GLN 57 CO -0.11 0.38 -0.36 0.78 -1.93 0.00 0.00 178.83 177.59 2fta h GLY 58 N 0.59 0.68 1.16 2.39 0.00 -1.73 0.20 103.07 106.35 2fta h GLY 58 Ca 0.40 -0.77 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 2fta h GLY 58 CO -0.16 0.69 0.15 -2.08 0.00 0.00 0.00 176.54 175.15 2fta h VAL 59 N 0.31 1.25 0.40 4.60 2.07 -0.04 -0.42 116.25 124.42 2fta h VAL 59 Ca 0.02 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2fta h VAL 59 Cb 0.95 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2fta h VAL 59 CO 0.08 0.36 -0.19 0.58 0.02 0.00 0.00 177.57 178.42 2fta h VAL 60 N 0.99 0.52 -0.41 2.57 2.07 -0.64 0.27 116.25 121.62 2fta h VAL 60 Ca 0.21 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.23 2fta h VAL 60 Cb 0.36 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2fta h VAL 60 CO 0.00 0.08 0.22 0.71 0.02 0.00 0.00 177.57 178.61 2fta h THR 61 N -0.88 1.01 -0.05 2.57 1.35 -0.93 0.15 112.91 116.13 2fta h THR 61 Ca -0.06 -0.15 -0.09 0.00 -0.55 0.00 0.00 66.41 65.56 2fta h THR 61 Cb 0.55 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 2fta h THR 61 CO 0.09 0.08 -0.39 0.44 -0.25 0.00 0.00 175.52 175.50 2fta h ASP 62 N 0.45 0.11 -0.13 5.36 3.32 -1.12 -2.16 116.42 122.25 2fta h ASP 62 Ca 0.17 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2fta h ASP 62 Cb 0.05 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 2fta h ASP 62 CO -0.10 0.49 -0.07 1.23 -1.72 0.00 0.00 179.24 179.07 2fta h GLY 63 N 1.18 0.29 1.06 2.75 0.00 0.47 -1.73 103.07 107.10 2fta h GLY 63 Ca 0.01 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.08 2fta h GLY 63 CO 0.05 0.24 0.62 -0.33 0.00 0.00 0.00 176.54 177.13 2fta h MET 64 N -0.08 1.23 -0.37 4.80 2.86 -0.63 -1.95 114.93 120.79 2fta h MET 64 Ca 0.03 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2fta h MET 64 Cb 0.54 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2fta h MET 64 CO 0.02 0.81 0.22 0.00 1.06 0.00 0.00 176.91 179.03 2fta h ALA 65 N 1.42 0.46 -0.23 6.32 0.00 -1.25 -1.98 119.26 124.00 2fta h ALA 65 Ca 0.35 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.31 2fta h ALA 65 Cb -0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2fta h ALA 65 CO -0.08 -0.12 0.17 0.77 0.00 0.00 0.00 179.25 180.00 2fta h SER 66 N 0.45 0.00 -4.03 0.00 0.02 -0.55 -3.48 113.55 105.96 2fta h SER 66 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2fta h SER 66 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2fta h SER 66 CO -0.06 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.24 2fta n GLY 67 N -1.57 -1.92 0.24 -3.77 0.00 -0.74 -4.37 105.19 93.06 2fta n GLY 67 Ca 0.03 -1.51 0.00 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 0.00 -0.45 0.00 0.99 5.85 -1.89 -0.64 115.31 119.17 2fta h LEU 68 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2fta h LEU 68 Cb 0.00 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2fta h LEU 68 CO 0.00 -0.17 0.00 -0.90 -0.34 0.00 0.00 178.44 177.03 2fta n ASP 69 N -5.37 0.00 -0.31 1.25 5.68 -1.26 -0.61 116.55 115.93 2fta n ASP 69 Ca 0.08 0.44 0.09 0.00 -0.50 0.00 0.00 54.79 54.90 2fta n ASP 69 Cb 0.35 -0.44 0.17 0.00 -1.14 0.00 0.00 41.12 40.05 2fta n ASP 69 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2fta n LYS 70 N -1.44 1.56 -2.13 0.11 5.02 -0.37 -4.94 118.16 115.96 2fta n LYS 70 Ca 0.00 -2.76 -0.20 0.00 -2.02 0.00 0.00 58.31 53.33 2fta n LYS 70 Cb 0.01 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 2fta n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2fta n ASP 71 N -1.26 -5.69 -3.82 4.39 9.92 0.21 -2.33 116.55 117.97 2fta n ASP 71 Ca 0.18 0.15 -0.28 0.00 -0.53 0.00 0.00 54.79 54.30 2fta n ASP 71 Cb 0.70 -4.80 0.04 0.00 -0.64 0.00 0.00 41.12 36.42 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 -3.50 -2.47 -4.02 1.24 4.01 -0.47 -4.74 117.16 107.21 2fta n TYR 72 Ca -0.23 0.94 -0.16 0.00 -0.16 0.00 0.00 57.90 58.29 2fta n TYR 72 Cb 0.68 -4.29 -0.15 0.00 -0.31 0.00 0.00 39.34 35.27 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 -7.29 1.56 -0.08 7.72 1.43 -0.99 -4.21 118.68 116.81 2fta s LEU 73 Ca 0.64 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 2fta s LEU 73 Cb -0.31 -0.23 -0.05 0.00 0.03 0.00 0.00 46.19 45.63 2fta s LEU 73 CO 0.80 -0.03 1.64 -0.75 0.23 0.00 0.00 176.35 178.24 2fta s LYS 74 N 0.52 4.12 0.30 1.70 2.20 -1.26 -4.82 119.74 122.49 2fta s LYS 74 Ca -0.05 2.09 -0.28 0.00 -0.36 0.00 0.00 55.97 57.37 2fta s LYS 74 Cb -0.08 -3.99 -0.14 0.00 -1.51 0.00 0.00 37.83 32.11 2fta s LYS 74 CO -0.01 -0.92 1.07 -2.30 -0.36 0.00 0.00 175.35 172.83 2fta n PRO 75 N 7.19 1.50 -3.97 4.03 -0.02 -1.26 -2.27 135.00 140.21 2fta n PRO 75 Ca 0.17 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.87 2fta n PRO 75 Cb 0.43 -1.94 0.01 0.00 -0.02 0.00 0.00 33.50 31.99 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 1.14 -4.48 -4.66 2.55 8.00 -1.26 -4.90 116.55 112.94 2fta n ASP 76 Ca 0.09 -0.82 -0.43 0.00 0.71 0.00 0.00 54.79 54.34 2fta n ASP 76 Cb 0.33 -3.59 -0.02 0.00 -0.02 0.00 0.00 41.12 37.81 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 -3.27 6.96 0.45 -2.24 -1.08 -0.96 -4.88 116.67 111.65 2fta s ASP 77 Ca 0.68 1.67 0.25 0.00 -0.52 0.00 0.00 52.55 54.63 2fta s ASP 77 Cb -0.35 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.18 2fta s ASP 77 CO 0.84 -0.75 1.70 0.77 0.52 0.00 0.00 175.17 178.25 2fta h SER 78 N 8.12 0.00 0.93 -0.34 4.64 -1.91 -3.08 113.55 121.91 2fta h SER 78 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2fta h SER 78 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2fta h SER 78 CO 0.97 0.07 0.00 0.03 -0.87 0.00 0.00 176.83 177.02 2fta h ARG 79 N 0.00 0.00 -5.65 4.77 3.08 -1.97 -3.41 114.38 111.19 2fta h ARG 79 Ca -0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 2fta h ARG 79 Cb 0.90 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.82 2fta h ARG 79 CO 0.01 0.00 0.27 0.08 -1.07 0.00 0.00 179.97 179.26 2fta s VAL 80 N -3.38 4.73 0.23 2.04 1.01 -1.17 -4.48 120.40 119.40 2fta s VAL 80 Ca 0.04 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.48 2fta s VAL 80 Cb 0.09 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2fta s VAL 80 CO 0.46 -0.60 1.55 0.40 0.00 0.00 0.00 175.10 176.91 2fta h ILE 81 N 5.89 1.38 -1.63 2.22 2.04 -1.33 -3.47 117.51 122.61 2fta h ILE 81 Ca -0.25 -1.97 0.14 0.00 1.00 0.00 0.00 64.86 63.78 2fta h ILE 81 Cb 1.09 1.98 -0.21 0.00 -0.74 0.00 0.00 36.82 38.94 2fta h ILE 81 CO 0.92 0.58 0.64 0.00 0.00 0.00 0.00 178.15 180.29 2fta s ALA 82 N -3.78 -1.96 -0.01 1.87 0.00 -1.24 -4.99 121.76 111.65 2fta s ALA 82 Ca -0.04 1.51 -0.28 0.00 0.00 0.00 0.00 51.96 53.15 2fta s ALA 82 Cb 0.12 -0.48 0.09 0.00 0.00 0.00 0.00 23.12 22.85 2fta s ALA 82 CO 0.80 -0.43 0.80 -3.38 0.00 0.00 0.00 175.76 173.55 2fta s HIS 83 N -1.74 -0.47 0.51 0.00 -3.43 -1.26 -1.00 115.29 107.91 2fta s HIS 83 Ca 0.03 0.53 0.08 0.00 -0.80 0.00 0.00 55.06 54.89 2fta s HIS 83 Cb -0.01 0.50 0.05 0.00 -1.43 0.00 0.00 32.58 31.69 2fta s HIS 83 CO -0.03 -0.59 0.70 0.95 -2.00 0.00 0.00 174.74 173.77 2fta s THR 84 N -2.44 2.58 0.75 -5.38 -4.23 -0.13 -4.85 115.64 101.95 2fta s THR 84 Ca -0.01 -0.95 -0.09 0.00 -1.18 0.00 0.00 61.69 59.46 2fta s THR 84 Cb -0.01 -2.63 0.07 0.00 1.34 0.00 0.00 72.50 71.28 2fta s THR 84 CO -0.04 0.00 1.08 -1.59 -0.54 0.00 0.00 174.62 173.53 2fta s LYS 85 N -4.55 2.05 0.11 3.99 -2.85 -1.26 -4.55 119.74 112.67 2fta s LYS 85 Ca 0.59 -0.16 -0.30 0.00 -1.00 0.00 0.00 55.97 55.10 2fta s LYS 85 Cb -0.08 -2.09 -0.06 0.00 -2.06 0.00 0.00 37.83 33.54 2fta s LYS 85 CO 0.36 -1.41 0.95 -1.17 0.10 0.00 0.00 175.35 174.18 2fta s LEU 86 N -5.38 4.50 0.10 2.77 2.96 -1.26 -4.56 118.68 117.81 2fta s LEU 86 Ca 0.61 1.77 0.06 0.00 -0.22 0.00 0.00 54.13 56.36 2fta s LEU 86 Cb -0.10 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 2fta s LEU 86 CO 0.46 -0.06 -0.15 0.27 -1.32 0.00 0.00 176.35 175.55 2fta s ILE 87 N -0.01 1.34 0.55 6.68 -4.36 0.33 -4.92 121.20 120.81 2fta s ILE 87 Ca 0.46 -1.56 0.05 0.00 -0.26 0.00 0.00 60.65 59.34 2fta s ILE 87 Cb -0.23 -1.40 0.05 0.00 1.25 0.00 0.00 42.46 42.13 2fta s ILE 87 CO 0.29 -0.29 0.41 0.61 0.24 0.00 0.00 174.94 176.20 2fta n GLY 88 N 0.86 2.75 3.65 6.27 0.00 -1.26 -1.39 105.19 116.07 2fta n GLY 88 Ca -0.18 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.11 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 -1.82 2.11 0.00 1.61 3.41 -0.34 -1.52 113.62 117.07 2fta n SER 89 Ca -0.02 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 2fta n SER 89 Cb 0.63 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 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 0.96 2.90 3.94 5.00 0.00 -0.80 -4.88 105.19 112.32 2fta n GLY 90 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.25 3.22 0.09 1.61 2.02 -0.57 -4.95 118.70 119.87 2fta s GLU 91 Ca 0.00 -0.36 -0.13 0.00 0.02 0.00 0.00 54.97 54.50 2fta s GLU 91 Cb 0.00 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.69 2fta s GLU 91 CO 0.00 -0.17 0.30 -1.59 0.02 0.00 0.00 175.26 173.82 2fta s LYS 92 N -4.52 0.92 -0.18 1.61 -2.85 -1.26 -3.12 119.74 110.34 2fta s LYS 92 Ca 0.46 -0.75 -0.27 0.00 -1.00 0.00 0.00 55.97 54.41 2fta s LYS 92 Cb -0.10 0.39 0.07 0.00 -2.06 0.00 0.00 37.83 36.13 2fta s LYS 92 CO 0.38 -0.32 0.69 0.34 0.10 0.00 0.00 175.35 176.55 2fta s ASP 93 N -2.64 -0.70 0.07 0.03 2.15 -0.56 -5.02 116.67 110.00 2fta s ASP 93 Ca 0.02 1.14 0.09 0.00 0.43 0.00 0.00 52.55 54.22 2fta s ASP 93 Cb 0.02 1.08 -0.03 0.00 -0.30 0.00 0.00 42.92 43.70 2fta s ASP 93 CO -0.09 -0.39 -0.23 -0.44 -0.17 0.00 0.00 175.17 173.85 2fta s SER 94 N -0.25 2.76 -0.00 -0.34 0.01 -1.26 -0.79 113.70 113.83 2fta s SER 94 Ca -0.04 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.62 2fta s SER 94 Cb -0.03 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 2fta s SER 94 CO 0.05 0.16 -0.06 0.54 0.41 0.00 0.00 173.24 174.34 2fta s VAL 95 N -0.94 0.43 -0.05 3.43 0.11 -0.84 -4.97 120.40 117.58 2fta s VAL 95 Ca 0.09 -0.27 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 2fta s VAL 95 Cb -0.10 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 2fta s VAL 95 CO 0.03 0.10 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.87 2fta s THR 96 N -0.19 1.24 0.18 5.04 2.01 -1.26 -1.20 115.64 121.46 2fta s THR 96 Ca 0.01 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.48 2fta s THR 96 Cb -0.02 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 2fta s THR 96 CO -0.00 0.37 -0.06 0.72 -0.69 0.00 0.00 174.62 174.95 2fta s PHE 97 N 0.35 1.40 -0.02 4.92 -0.12 -0.69 -4.95 117.98 118.89 2fta s PHE 97 Ca -0.09 -0.81 -0.24 0.00 -0.05 0.00 0.00 56.93 55.74 2fta s PHE 97 Cb -0.13 -0.75 -0.05 0.00 -0.63 0.00 0.00 43.02 41.46 2fta s PHE 97 CO 0.03 0.05 0.71 -0.51 -0.05 0.00 0.00 175.22 175.45 2fta s ASP 98 N -3.23 7.07 0.61 1.98 1.01 -1.26 -1.18 116.67 121.66 2fta s ASP 98 Ca 0.22 1.28 0.35 0.00 0.71 0.00 0.00 52.55 55.11 2fta s ASP 98 Cb 0.04 -2.43 1.99 0.00 1.01 0.00 0.00 42.92 43.53 2fta s ASP 98 CO 0.04 -0.04 2.27 0.58 0.21 0.00 0.00 175.17 178.24 2fta h VAL 99 N 4.44 0.33 -0.14 -1.27 2.07 -1.29 -1.74 116.25 118.65 2fta h VAL 99 Ca -0.43 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.06 2fta h VAL 99 Cb 1.20 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2fta h VAL 99 CO 0.73 0.01 0.21 0.28 0.02 0.00 0.00 177.57 178.82 2fta h SER 100 N 0.00 0.00 1.17 0.57 0.02 -1.90 0.51 113.55 113.92 2fta h SER 100 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2fta h SER 100 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2fta h SER 100 CO 0.00 0.00 0.00 0.11 -1.14 0.00 0.00 176.83 175.80 2fta h LYS 101 N 0.00 0.00 -5.63 3.45 1.57 -1.71 -3.44 116.57 110.81 2fta h LYS 101 Ca 0.07 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.19 2fta h LYS 101 Cb 0.48 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.72 2fta h LYS 101 CO -0.00 0.00 -0.46 -0.51 -0.57 0.00 0.00 179.45 177.91 2fta s LEU 102 N -5.25 4.38 -0.19 2.94 1.43 0.18 -5.09 118.68 117.08 2fta s LEU 102 Ca 0.05 0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 53.55 2fta s LEU 102 Cb 0.09 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2fta s LEU 102 CO 0.52 0.38 0.08 -0.54 0.23 0.00 0.00 176.35 177.03 2fta s LYS 103 N -0.91 4.04 -0.01 1.70 1.02 -1.26 -5.01 119.74 119.31 2fta s LYS 103 Ca 0.15 -0.30 -0.30 0.00 0.02 0.00 0.00 55.97 55.54 2fta s LYS 103 Cb -0.12 -3.28 -0.07 0.00 -0.52 0.00 0.00 37.83 33.84 2fta s LYS 103 CO 0.04 0.29 1.70 -2.00 -0.92 0.00 0.00 175.35 174.46 2fta s GLU 104 N 0.34 4.18 0.00 1.68 2.12 -1.26 -2.79 118.70 122.97 2fta s GLU 104 Ca 0.05 2.29 0.00 0.00 0.36 0.00 0.00 54.97 57.67 2fta s GLU 104 Cb -0.12 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.37 2fta s GLU 104 CO -0.01 -0.83 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 2fta n GLY 105 N 4.15 0.96 3.82 -1.50 0.00 -1.26 -5.07 105.19 106.29 2fta n GLY 105 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.01 4.12 -0.56 1.61 2.12 -1.12 -5.04 118.70 119.83 2fta s GLU 106 Ca 0.00 0.65 -0.19 0.00 0.36 0.00 0.00 54.97 55.79 2fta s GLU 106 Cb 0.00 -3.16 0.09 0.00 0.26 0.00 0.00 34.13 31.31 2fta s GLU 106 CO 0.00 0.61 0.67 -1.14 -0.54 0.00 0.00 175.26 174.86 2fta s GLN 107 N -1.31 3.07 0.66 4.30 0.74 -1.26 -4.60 119.66 121.27 2fta s GLN 107 Ca 0.31 -1.16 -0.11 0.00 0.05 0.00 0.00 55.36 54.44 2fta s GLN 107 Cb -0.18 -4.20 -0.01 0.00 1.10 0.00 0.00 33.01 29.71 2fta s GLN 107 CO 0.18 -1.42 1.05 0.71 -0.55 0.00 0.00 175.29 175.27 2fta s TYR 108 N 2.65 3.41 -0.03 1.67 2.02 -0.22 -4.24 117.35 122.61 2fta s TYR 108 Ca 0.13 1.26 0.07 0.00 -0.37 0.00 0.00 57.07 58.16 2fta s TYR 108 Cb -0.22 -2.85 -0.02 0.00 -0.40 0.00 0.00 41.96 38.47 2fta s TYR 108 CO 0.08 -0.97 -0.25 -1.64 -1.57 0.00 0.00 175.55 171.20 2fta s MET 109 N -5.19 2.14 0.11 -0.62 -1.94 0.00 -0.53 119.30 113.28 2fta s MET 109 Ca 0.57 -0.90 0.10 0.00 -1.71 0.00 0.00 55.69 53.75 2fta s MET 109 Cb -0.12 -2.01 -0.04 0.00 2.01 0.00 0.00 34.83 34.67 2fta s MET 109 CO 0.54 0.51 -0.25 -0.59 -0.01 0.00 0.00 175.02 175.22 2fta s PHE 110 N -0.50 2.36 0.19 -0.03 -0.12 -0.29 -1.44 117.98 118.15 2fta s PHE 110 Ca 0.07 -0.36 -0.23 0.00 -0.05 0.00 0.00 56.93 56.36 2fta s PHE 110 Cb -0.11 -1.30 0.07 0.00 -0.63 0.00 0.00 43.02 41.05 2fta s PHE 110 CO -0.00 0.31 0.96 -0.59 -0.05 0.00 0.00 175.22 175.85 2fta s PHE 111 N -1.03 -0.04 -0.19 3.49 -0.71 -0.11 -1.40 117.98 117.99 2fta s PHE 111 Ca 0.14 -0.34 -0.05 0.00 -1.04 0.00 0.00 56.93 55.65 2fta s PHE 111 Cb -0.10 0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 2fta s PHE 111 CO 0.06 -0.95 -0.00 0.00 -1.34 0.00 0.00 175.22 172.99 2fta h THR 113 N 5.28 1.28 0.00 0.00 1.35 -1.86 -1.60 112.91 117.35 2fta h THR 113 Ca -0.35 -1.21 -0.03 0.00 -0.55 0.00 0.00 66.41 64.28 2fta h THR 113 Cb 1.18 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 68.90 2fta h THR 113 CO 0.62 0.40 -0.13 1.55 -0.25 0.00 0.00 175.52 177.71 2fta h PRO 114 N 0.52 0.00 -2.20 4.72 0.13 -1.88 -3.30 132.00 129.99 2fta h PRO 114 Ca 0.09 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.63 2fta h PRO 114 Cb 0.64 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.36 2fta h PRO 114 CO 0.04 0.13 -0.76 0.72 -0.23 0.00 0.00 178.00 177.90 2fta n HIS 115 N -3.28 2.23 0.33 1.56 8.25 -1.10 -4.95 115.22 118.25 2fta n HIS 115 Ca 0.00 -3.96 0.18 0.00 -0.26 0.00 0.00 57.72 53.69 2fta n HIS 115 Cb 0.38 -0.47 0.96 0.00 1.12 0.00 0.00 29.99 31.98 2fta n HIS 115 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2fta h PRO 116 N 4.26 0.00 0.00 -0.41 0.13 -1.38 0.14 132.00 134.74 2fta h PRO 116 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2fta h PRO 116 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2fta h PRO 116 CO 0.70 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.44 2fta n PHE 117 N -2.92 0.11 -2.99 1.56 1.16 -1.26 -4.15 117.46 108.96 2fta n PHE 117 Ca -0.02 0.04 -0.44 0.00 -1.87 0.00 0.00 57.45 55.16 2fta n PHE 117 Cb 0.25 -0.57 -0.04 0.00 -1.61 0.00 0.00 39.48 37.51 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 -3.04 3.10 0.27 3.97 -1.94 0.50 -4.99 119.30 117.17 2fta s MET 118 Ca 0.07 -1.00 -0.15 0.00 -1.71 0.00 0.00 55.69 52.89 2fta s MET 118 Cb 0.10 -4.22 0.01 0.00 2.01 0.00 0.00 34.83 32.73 2fta s MET 118 CO 0.29 -1.62 0.57 -1.59 -0.01 0.00 0.00 175.02 172.66 2fta s LYS 119 N 3.33 1.67 0.21 2.03 -2.85 -1.26 -2.23 119.74 120.63 2fta s LYS 119 Ca 0.17 -1.19 -0.21 0.00 -1.00 0.00 0.00 55.97 53.74 2fta s LYS 119 Cb -0.20 0.52 0.07 0.00 -2.06 0.00 0.00 37.83 36.17 2fta s LYS 119 CO 0.09 -0.72 1.00 0.20 0.10 0.00 0.00 175.35 176.02 2fta s GLY 120 N -2.99 0.13 0.17 0.59 0.00 -0.50 -4.70 107.32 100.01 2fta s GLY 120 Ca 0.19 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.58 2fta s GLY 120 CO 0.09 1.98 0.21 -0.51 0.00 0.00 0.00 173.10 174.87 2fta s THR 121 N -2.25 4.86 -0.02 0.90 -4.23 -0.40 -1.13 115.64 113.36 2fta s THR 121 Ca 0.21 -0.93 -0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2fta s THR 121 Cb -0.03 -3.50 0.03 0.00 1.34 0.00 0.00 72.50 70.34 2fta s THR 121 CO 0.06 -0.12 0.04 -0.22 -0.54 0.00 0.00 174.62 173.83 2fta s LEU 122 N -3.23 0.85 0.03 4.79 0.20 0.31 -0.80 118.68 120.83 2fta s LEU 122 Ca 0.33 0.05 0.00 0.00 0.69 0.00 0.00 54.13 55.20 2fta s LEU 122 Cb -0.10 -0.09 -0.03 0.00 -0.43 0.00 0.00 46.19 45.55 2fta s LEU 122 CO 0.26 -0.16 -0.04 0.42 -0.29 0.00 0.00 176.35 176.54 2fta s THR 123 N 1.33 0.20 -0.24 3.68 -4.23 -0.70 -1.06 115.64 114.62 2fta s THR 123 Ca -0.06 -1.16 -0.13 0.00 -1.18 0.00 0.00 61.69 59.16 2fta s THR 123 Cb -0.13 -0.62 -0.04 0.00 1.34 0.00 0.00 72.50 73.05 2fta s THR 123 CO -0.03 -0.61 0.27 -0.22 -0.54 0.00 0.00 174.62 173.49 2fta s LEU 124 N -1.85 4.09 0.00 4.79 2.96 -1.26 -0.29 118.68 127.13 2fta s LEU 124 Ca -0.09 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 2fta s LEU 124 Cb -0.06 -2.28 0.00 0.00 0.50 0.00 0.00 46.19 44.36 2fta s LEU 124 CO -0.03 -0.04 0.14 0.29 -1.32 0.00 0.00 176.35 175.39