#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 0.00 0.03 -0.18 0.00 1.04 -1.26 -1.48 113.70 111.86 2fta s SER 4 Ca 0.00 -1.13 -0.17 0.00 0.48 0.00 0.00 55.95 55.13 2fta s SER 4 Cb 0.00 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2fta s SER 4 CO 0.00 -1.03 0.49 0.54 0.98 0.00 0.00 173.24 174.22 2fta s VAL 5 N -4.05 0.00 -0.26 5.02 0.11 -0.46 -4.93 120.40 115.82 2fta s VAL 5 Ca 0.29 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.26 2fta s VAL 5 Cb 0.02 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 2fta s VAL 5 CO 0.11 -0.01 0.07 -1.81 -3.33 0.00 0.00 175.10 170.13 2fta s ASP 6 N 0.20 5.06 0.01 3.54 1.01 -1.26 -1.05 116.67 124.18 2fta s ASP 6 Ca -0.00 -0.41 0.08 0.00 0.71 0.00 0.00 52.55 52.93 2fta s ASP 6 Cb -0.03 -1.89 -0.02 0.00 1.01 0.00 0.00 42.92 41.98 2fta s ASP 6 CO 0.01 -0.09 -0.24 -0.51 0.21 0.00 0.00 175.17 174.55 2fta s ILE 7 N 1.56 1.89 -0.02 0.77 2.07 -0.41 -4.98 121.20 122.08 2fta s ILE 7 Ca 0.05 -1.14 0.07 0.00 -1.41 0.00 0.00 60.65 58.22 2fta s ILE 7 Cb -0.16 -1.59 -0.02 0.00 0.13 0.00 0.00 42.46 40.82 2fta s ILE 7 CO 0.03 0.42 -0.23 -1.10 -1.91 0.00 0.00 174.94 172.14 2fta s GLN 8 N -0.85 1.88 -0.21 3.50 -0.21 -1.26 -1.80 119.66 120.72 2fta s GLN 8 Ca 0.09 -0.84 0.01 0.00 0.02 0.00 0.00 55.36 54.64 2fta s GLN 8 Cb -0.09 -1.83 0.03 0.00 1.00 0.00 0.00 33.01 32.12 2fta s GLN 8 CO 0.00 0.50 -0.16 0.20 -2.12 0.00 0.00 175.29 173.71 2fta s GLY 9 N -0.57 1.48 0.49 3.09 0.00 -0.76 -2.18 107.32 108.88 2fta s GLY 9 Ca 0.09 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.46 2fta s GLY 9 CO -0.01 0.39 0.67 1.16 0.00 0.00 0.00 173.10 175.31 2fta n ASN 10 N 4.58 1.20 0.00 1.64 0.23 -0.91 -3.00 115.26 119.00 2fta n ASN 10 Ca -0.19 -1.94 0.09 0.00 -0.53 0.00 0.00 54.58 52.01 2fta n ASN 10 Cb 0.48 -0.41 0.39 0.00 -2.08 0.00 0.00 39.78 38.16 2fta n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2fta n ASP 11 N -2.77 0.00 -0.84 0.53 10.43 -1.15 -2.45 116.55 120.30 2fta n ASP 11 Ca 0.12 0.49 0.06 0.00 2.57 0.00 0.00 54.79 58.03 2fta n ASP 11 Cb 0.43 -0.50 0.19 0.00 1.84 0.00 0.00 41.12 43.09 2fta n ASP 11 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2fta n GLN 12 N -1.50 2.13 -3.31 -1.24 3.00 -1.26 -4.93 117.38 110.27 2fta n GLN 12 Ca 0.05 -1.53 -0.16 0.00 -0.01 0.00 0.00 57.00 55.35 2fta n GLN 12 Cb 0.21 -1.41 0.08 0.00 0.00 0.00 0.00 30.24 29.13 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 0.66 -5.26 -3.72 -1.09 2.81 -1.02 -5.03 117.12 104.48 2fta n MET 13 Ca 0.14 0.82 -0.14 0.00 -1.81 0.00 0.00 57.70 56.71 2fta n MET 13 Cb 0.41 -5.69 -0.09 0.00 -0.71 0.00 0.00 33.22 27.14 2fta n MET 13 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 2fta s GLN 14 N -5.05 0.63 0.22 0.03 -2.07 -1.26 -4.70 119.66 107.46 2fta s GLN 14 Ca 0.11 0.25 -0.05 0.00 -1.82 0.00 0.00 55.36 53.85 2fta s GLN 14 Cb -0.01 0.29 -0.05 0.00 -1.09 0.00 0.00 33.01 32.15 2fta s GLN 14 CO 0.70 -0.14 0.47 -0.06 -1.32 0.00 0.00 175.29 174.94 2fta s PHE 15 N -0.54 3.47 -0.61 9.60 2.99 -1.26 -2.13 117.98 129.49 2fta s PHE 15 Ca -0.07 0.60 0.07 0.00 0.00 0.00 0.00 56.93 57.53 2fta s PHE 15 Cb -0.04 -2.06 0.41 0.00 0.00 0.00 0.00 43.02 41.34 2fta s PHE 15 CO 0.03 0.30 1.13 0.27 -0.00 0.00 0.00 175.22 176.95 2fta n ASN 16 N -0.48 3.36 -3.62 1.36 2.04 -0.93 -4.79 115.26 112.22 2fta n ASN 16 Ca -0.02 -2.48 -0.13 0.00 -0.44 0.00 0.00 54.58 51.51 2fta n ASN 16 Cb 0.53 -0.60 -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 -1.87 0.00 -0.14 5.53 -1.32 -1.26 -4.97 115.64 111.61 2fta s THR 17 Ca 0.27 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.90 2fta s THR 17 Cb 0.21 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.52 2fta s THR 17 CO 0.08 0.00 1.17 -0.46 -2.21 0.00 0.00 174.62 173.19 2fta n ASN 18 N 2.25 1.76 -3.53 8.08 2.04 -1.26 -4.77 115.26 119.83 2fta n ASN 18 Ca -0.14 -3.22 0.00 0.00 -0.44 0.00 0.00 54.58 50.78 2fta n ASN 18 Cb 0.56 -0.44 -0.04 0.00 -2.53 0.00 0.00 39.78 37.33 2fta n ASN 18 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2fta s ALA 19 N -2.50 -2.33 -0.06 -2.53 0.00 -1.26 -2.31 121.76 110.77 2fta s ALA 19 Ca 0.32 2.21 0.05 0.00 0.00 0.00 0.00 51.96 54.53 2fta s ALA 19 Cb 0.30 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 2fta s ALA 19 CO -0.03 -0.96 -0.19 0.42 0.00 0.00 0.00 175.76 175.00 2fta s ILE 20 N 2.73 2.61 -0.15 0.00 1.01 0.61 -4.95 121.20 123.07 2fta s ILE 20 Ca -0.04 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.76 2fta s ILE 20 Cb -0.10 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.38 2fta s ILE 20 CO -0.18 0.57 -0.21 -0.89 0.00 0.00 0.00 174.94 174.23 2fta s THR 21 N -0.42 2.12 -0.31 2.92 2.01 -1.26 -1.28 115.64 119.41 2fta s THR 21 Ca 0.04 -0.95 -0.12 0.00 0.31 0.00 0.00 61.69 60.97 2fta s THR 21 Cb -0.12 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2fta s THR 21 CO 0.02 0.54 0.20 -0.69 -0.69 0.00 0.00 174.62 174.01 2fta s VAL 22 N 0.88 5.14 -0.07 3.82 1.01 0.12 -4.96 120.40 126.33 2fta s VAL 22 Ca -0.05 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 2fta s VAL 22 Cb -0.15 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 2fta s VAL 22 CO -0.03 0.10 1.77 -0.62 0.00 0.00 0.00 175.10 176.32 2fta s ASP 23 N 1.71 6.46 0.07 3.32 -1.08 -1.26 -4.22 116.67 121.67 2fta s ASP 23 Ca 0.06 2.21 0.04 0.00 -0.52 0.00 0.00 52.55 54.34 2fta s ASP 23 Cb -0.17 -2.53 0.21 0.00 -1.46 0.00 0.00 42.92 38.97 2fta s ASP 23 CO 0.10 -1.10 1.03 2.29 0.52 0.00 0.00 175.17 178.00 2fta n LYS 24 N 7.47 0.03 0.00 4.34 2.85 -1.26 0.29 118.16 131.87 2fta n LYS 24 Ca 0.19 0.44 0.14 0.00 -1.05 0.00 0.00 58.31 58.04 2fta n LYS 24 Cb 0.43 -1.70 0.60 0.00 -0.65 0.00 0.00 35.03 33.71 2fta n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2fta n SER 25 N -1.57 0.24 -4.78 -5.58 3.41 -1.26 -4.82 113.62 99.26 2fta n SER 25 Ca -0.00 -0.14 -0.39 0.00 -0.26 0.00 0.00 58.87 58.07 2fta n SER 25 Cb 0.12 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 2fta n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fta n LYS 27 N 1.91 0.55 -3.95 0.00 5.02 -1.26 -4.64 118.16 115.79 2fta n LYS 27 Ca -0.06 -0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.01 2fta n LYS 27 Cb 0.50 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 2fta n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2fta s GLN 28 N -3.41 0.40 -0.02 1.97 -0.21 -1.26 -1.58 119.66 115.55 2fta s GLN 28 Ca -0.04 -0.57 0.02 0.00 0.02 0.00 0.00 55.36 54.79 2fta s GLN 28 Cb 0.14 0.15 0.00 0.00 1.00 0.00 0.00 33.01 34.30 2fta s GLN 28 CO 0.88 -0.08 -0.07 0.12 -2.12 0.00 0.00 175.29 174.02 2fta s PHE 29 N -1.59 0.68 -0.08 0.91 5.36 -0.73 -4.85 117.98 117.69 2fta s PHE 29 Ca -0.14 -0.15 0.05 0.00 -0.96 0.00 0.00 56.93 55.73 2fta s PHE 29 Cb -0.08 -0.49 -0.01 0.00 -0.34 0.00 0.00 43.02 42.10 2fta s PHE 29 CO -0.01 -0.06 -0.22 0.99 -1.46 0.00 0.00 175.22 174.46 2fta s THR 30 N 0.11 2.28 -0.22 0.12 2.01 -0.55 -1.97 115.64 117.43 2fta s THR 30 Ca -0.01 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 2fta s THR 30 Cb -0.06 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.60 2fta s THR 30 CO -0.00 0.56 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.72 2fta s VAL 31 N -0.04 2.91 -0.47 3.82 1.01 -0.25 -1.36 120.40 126.02 2fta s VAL 31 Ca -0.06 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 2fta s VAL 31 Cb -0.15 -2.35 0.09 0.00 0.00 0.00 0.00 36.38 33.98 2fta s VAL 31 CO 0.05 0.39 0.37 0.20 0.00 0.00 0.00 175.10 176.10 2fta s ASN 32 N 1.39 5.94 -0.09 3.32 0.01 -0.21 -1.72 114.94 123.57 2fta s ASN 32 Ca 0.04 -1.58 -0.13 0.00 -0.71 0.00 0.00 52.86 50.48 2fta s ASN 32 Cb -0.15 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 2fta s ASN 32 CO -0.06 -0.67 0.30 -0.22 -1.51 0.00 0.00 177.10 174.94 2fta s LEU 33 N 1.52 4.37 0.08 0.60 2.96 -0.09 -1.29 118.68 126.82 2fta s LEU 33 Ca 0.04 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 2fta s LEU 33 Cb -0.25 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 2fta s LEU 33 CO 0.03 0.26 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.33 2fta s SER 34 N -0.49 0.91 -0.37 3.68 1.04 -0.74 -0.77 113.70 116.96 2fta s SER 34 Ca 0.19 -0.93 0.04 0.00 0.48 0.00 0.00 55.95 55.72 2fta s SER 34 Cb -0.14 0.11 0.11 0.00 0.10 0.00 0.00 66.02 66.20 2fta s SER 34 CO 0.08 -0.46 0.09 -2.28 0.98 0.00 0.00 173.24 171.64 2fta s HIS 35 N -3.36 3.50 -0.13 5.02 2.46 -0.85 -1.82 115.29 120.11 2fta s HIS 35 Ca 0.07 -2.94 -0.29 0.00 0.47 0.00 0.00 55.06 52.36 2fta s HIS 35 Cb 0.04 -2.81 -0.02 0.00 -0.13 0.00 0.00 32.58 29.65 2fta s HIS 35 CO -0.05 -0.91 1.28 -2.14 -2.47 0.00 0.00 174.74 170.45 2fta s PRO 36 N 0.74 4.25 0.00 2.88 0.02 -1.16 -1.89 135.00 139.85 2fta s PRO 36 Ca 0.12 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2fta s PRO 36 Cb -0.20 -3.73 0.00 0.00 0.02 0.00 0.00 34.50 30.59 2fta s PRO 36 CO -0.08 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 2fta n GLY 37 N 3.59 -1.50 0.00 0.52 0.00 -1.26 -2.95 105.19 103.59 2fta n GLY 37 Ca 0.13 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2fta n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2fta n ASN 38 N 3.00 0.36 -4.69 1.61 4.13 -1.26 -4.19 115.26 114.22 2fta n ASN 38 Ca 0.00 -0.67 -0.42 0.00 1.68 0.00 0.00 54.58 55.16 2fta n ASN 38 Cb 0.00 0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 38.65 2fta n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2fta s LEU 39 N -0.88 4.33 0.66 3.41 1.02 -1.26 -4.92 118.68 121.04 2fta s LEU 39 Ca 0.00 2.18 -0.17 0.00 0.02 0.00 0.00 54.13 56.16 2fta s LEU 39 Cb 0.00 -3.57 -0.02 0.00 0.02 0.00 0.00 46.19 42.63 2fta s LEU 39 CO 0.00 -0.71 1.03 -0.81 0.02 0.00 0.00 176.35 175.87 2fta n PRO 40 N 5.08 0.76 -0.23 1.29 -0.04 -1.26 -3.02 135.00 137.58 2fta n PRO 40 Ca 0.13 0.31 0.01 0.00 -0.04 0.00 0.00 63.50 63.92 2fta n PRO 40 Cb 0.43 -2.26 0.13 0.00 -0.04 0.00 0.00 33.50 31.77 2fta n PRO 40 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2fta h LYS 41 N 0.17 0.47 0.00 0.54 3.64 -1.89 0.40 116.57 119.89 2fta h LYS 41 Ca -0.49 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2fta h LYS 41 Cb 1.35 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2fta h LYS 41 CO 0.49 0.31 0.00 -0.97 -2.27 0.00 0.00 179.45 177.02 2fta h ASN 42 N 0.49 0.00 0.00 4.20 -1.24 -1.96 0.57 115.58 117.63 2fta h ASN 42 Ca 0.34 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 57.14 2fta h ASN 42 Cb 0.42 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.43 2fta h ASN 42 CO -0.31 0.00 -1.84 0.52 -1.29 0.00 0.00 177.43 174.51 2fta n VAL 43 N -2.46 0.82 -2.69 2.57 0.31 -0.08 -4.81 118.33 111.98 2fta n VAL 43 Ca -0.00 -0.52 -0.07 0.00 -0.01 0.00 0.00 64.34 63.74 2fta n VAL 43 Cb 0.13 -0.63 0.05 0.00 -0.91 0.00 0.00 33.84 32.48 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 -2.44 1.24 -2.43 5.55 0.00 0.12 -4.97 117.12 114.18 2fta n MET 44 Ca -0.19 -3.01 -0.39 0.00 -0.00 0.00 0.00 57.70 54.11 2fta n MET 44 Cb 0.88 -1.06 -0.04 0.00 0.00 0.00 0.00 33.22 33.01 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 -2.86 2.96 0.08 -5.12 0.00 0.17 -4.71 107.32 97.84 2fta s GLY 45 Ca 0.26 0.89 0.06 0.00 0.00 0.00 0.00 44.72 45.93 2fta s GLY 45 CO 0.00 1.45 -0.16 0.30 0.00 0.00 0.00 173.10 174.70 2fta s HIS 46 N -1.31 1.33 0.10 1.90 3.76 -0.30 -4.85 115.29 115.93 2fta s HIS 46 Ca 0.50 -0.45 -0.00 0.00 -0.15 0.00 0.00 55.06 54.96 2fta s HIS 46 Cb -0.30 -0.75 -0.04 0.00 1.11 0.00 0.00 32.58 32.60 2fta s HIS 46 CO 0.39 0.08 -0.01 0.54 -0.85 0.00 0.00 174.74 174.90 2fta s ASN 47 N -1.74 0.64 -0.18 1.40 2.20 -1.26 -0.29 114.94 115.71 2fta s ASN 47 Ca -0.00 -1.09 0.01 0.00 -0.94 0.00 0.00 52.86 50.84 2fta s ASN 47 Cb -0.10 0.20 0.02 0.00 -2.00 0.00 0.00 41.25 39.37 2fta s ASN 47 CO 0.03 -0.61 -0.19 0.86 -2.94 0.00 0.00 177.10 174.25 2fta s TRP 48 N -3.88 2.80 -0.02 1.54 -0.00 -1.26 -3.72 118.94 114.42 2fta s TRP 48 Ca 0.15 -1.63 0.04 0.00 -0.00 0.00 0.00 56.10 54.66 2fta s TRP 48 Cb 0.07 -1.93 -0.01 0.00 -0.00 0.00 0.00 33.47 31.60 2fta s TRP 48 CO -0.04 -0.80 -0.13 0.08 -0.00 0.00 0.00 176.95 176.07 2fta s VAL 49 N 1.30 1.01 -0.08 5.86 1.01 0.25 -1.43 120.40 128.32 2fta s VAL 49 Ca 0.05 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2fta s VAL 49 Cb -0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2fta s VAL 49 CO -0.12 0.29 -0.15 -0.22 0.00 0.00 0.00 175.10 174.90 2fta s LEU 50 N -0.17 2.66 0.34 3.92 2.96 -0.24 -0.79 118.68 127.36 2fta s LEU 50 Ca 0.03 -0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 53.49 2fta s LEU 50 Cb -0.06 -1.56 0.04 0.00 0.50 0.00 0.00 46.19 45.11 2fta s LEU 50 CO -0.00 0.27 0.73 -0.94 -1.32 0.00 0.00 176.35 175.08 2fta s SER 51 N -0.25 -0.03 0.56 3.68 1.04 -0.77 -0.69 113.70 117.25 2fta s SER 51 Ca 0.01 -0.98 -0.17 0.00 0.48 0.00 0.00 55.95 55.29 2fta s SER 51 Cb -0.13 0.78 -0.05 0.00 0.10 0.00 0.00 66.02 66.72 2fta s SER 51 CO 0.03 -1.52 1.05 0.42 0.98 0.00 0.00 173.24 174.20 2fta s THR 52 N -2.99 3.84 0.29 2.02 -4.23 -1.26 -1.08 115.64 112.23 2fta s THR 52 Ca 0.15 0.93 0.02 0.00 -1.18 0.00 0.00 61.69 61.62 2fta s THR 52 Cb -0.05 -3.42 0.28 0.00 1.34 0.00 0.00 72.50 70.66 2fta s THR 52 CO 0.10 -0.45 1.82 0.00 -0.54 0.00 0.00 174.62 175.55 2fta h ALA 53 N 0.73 1.54 0.00 3.99 0.00 -1.10 0.03 119.26 124.45 2fta h ALA 53 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2fta h ALA 53 Cb 1.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2fta h ALA 53 CO 0.58 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.96 2fta h ALA 54 N 1.57 1.00 0.00 0.00 0.00 -1.91 -3.20 119.26 116.72 2fta h ALA 54 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2fta h ALA 54 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2fta h ALA 54 CO -0.30 0.00 -1.56 -0.25 0.00 0.00 0.00 179.25 177.14 2fta n ASP 55 N -2.60 0.42 -0.13 0.00 8.00 -0.05 -4.67 116.55 117.54 2fta n ASP 55 Ca 0.02 -0.39 -0.08 0.00 0.71 0.00 0.00 54.79 55.04 2fta n ASP 55 Cb 0.29 1.54 -0.06 0.00 -0.02 0.00 0.00 41.12 42.86 2fta n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2fta h MET 56 N 0.00 -0.19 -0.78 -1.24 1.85 -1.44 -0.77 114.93 112.36 2fta h MET 56 Ca 0.00 0.01 0.18 0.00 -0.61 0.00 0.00 59.70 59.28 2fta h MET 56 Cb 0.79 0.04 -0.12 0.00 0.43 0.00 0.00 31.60 32.75 2fta h MET 56 CO 0.00 -0.13 0.18 0.37 -0.40 0.00 0.00 176.91 176.94 2fta h GLN 57 N -0.20 0.24 -0.43 0.39 4.15 -1.83 0.15 115.11 117.59 2fta h GLN 57 Ca 0.06 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 2fta h GLN 57 Cb 0.35 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2fta h GLN 57 CO -0.42 0.16 0.17 0.78 -1.93 0.00 0.00 178.83 177.58 2fta h GLY 58 N 0.25 0.69 1.00 2.39 0.00 -1.69 0.13 103.07 105.84 2fta h GLY 58 Ca 0.45 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2fta h GLY 58 CO -0.56 0.36 0.39 -2.08 0.00 0.00 0.00 176.54 174.65 2fta h VAL 59 N 0.55 1.21 0.19 4.60 2.07 0.44 0.34 116.25 125.64 2fta h VAL 59 Ca 0.14 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2fta h VAL 59 Cb 0.20 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2fta h VAL 59 CO -0.01 0.23 -0.09 0.58 0.02 0.00 0.00 177.57 178.30 2fta h VAL 60 N 0.95 0.92 0.02 2.57 2.07 -0.58 0.25 116.25 122.46 2fta h VAL 60 Ca 0.25 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 67.06 2fta h VAL 60 Cb 0.02 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2fta h VAL 60 CO -0.04 0.16 -0.15 0.74 0.02 0.00 0.00 177.57 178.30 2fta h THR 61 N -0.62 0.65 -0.24 2.57 2.02 -0.64 0.12 112.91 116.75 2fta h THR 61 Ca -0.03 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 2fta h THR 61 Cb 0.46 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2fta h THR 61 CO 0.04 0.00 -0.22 0.44 0.37 0.00 0.00 175.52 176.15 2fta h ASP 62 N -0.26 0.45 -0.03 4.18 3.45 -0.99 -2.90 116.42 120.32 2fta h ASP 62 Ca 0.04 -0.14 -0.00 0.00 0.43 0.00 0.00 57.03 57.36 2fta h ASP 62 Cb 0.31 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.95 2fta h ASP 62 CO -0.13 0.68 0.00 1.23 -1.57 0.00 0.00 179.24 179.46 2fta h GLY 63 N 0.99 0.05 1.38 2.75 0.00 0.16 -2.76 103.07 105.65 2fta h GLY 63 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2fta h GLY 63 CO 0.04 0.03 0.36 -0.33 0.00 0.00 0.00 176.54 176.65 2fta h MET 64 N -0.22 0.82 0.00 4.80 2.86 -0.77 0.11 114.93 122.53 2fta h MET 64 Ca 0.01 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2fta h MET 64 Cb 0.28 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2fta h MET 64 CO 0.00 0.58 -0.03 0.00 1.06 0.00 0.00 176.91 178.52 2fta h ALA 65 N 1.57 1.18 0.00 6.32 0.00 -1.37 -2.57 119.26 124.39 2fta h ALA 65 Ca 0.22 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 2fta h ALA 65 Cb -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2fta h ALA 65 CO -0.04 0.04 -0.78 0.77 0.00 0.00 0.00 179.25 179.24 2fta h SER 66 N 0.00 0.00 -4.99 0.00 0.02 -0.68 -3.50 113.55 104.40 2fta h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2fta h SER 66 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2fta h SER 66 CO 0.00 0.78 0.00 0.61 -1.14 0.00 0.00 176.83 177.08 2fta n GLY 67 N 0.72 2.07 0.37 -3.77 0.00 -0.97 -4.41 105.19 99.20 2fta n GLY 67 Ca -0.01 -1.91 0.04 0.00 0.00 0.00 0.00 46.02 44.15 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 0.98 -2.33 0.99 7.12 -1.93 0.95 115.31 121.11 2fta h LEU 68 Ca 0.00 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 2fta h LEU 68 Cb 0.00 -0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 39.94 2fta h LEU 68 CO 0.00 0.60 -0.01 -2.24 -0.13 0.00 0.00 178.44 176.66 2fta h ASP 69 N 1.10 0.00 -0.50 1.25 3.04 -2.01 -0.90 116.42 118.39 2fta h ASP 69 Ca 0.45 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 54.10 2fta h ASP 69 Cb 0.28 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.49 2fta h ASP 69 CO -0.20 0.01 0.11 0.29 -2.04 0.00 0.00 179.24 177.41 2fta n LYS 70 N -4.02 3.09 -1.62 4.15 5.02 -0.25 -4.91 118.16 119.62 2fta n LYS 70 Ca -0.03 -3.03 -0.18 0.00 -2.02 0.00 0.00 58.31 53.05 2fta n LYS 70 Cb 0.09 -2.02 -0.07 0.00 -0.02 0.00 0.00 35.03 33.02 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 -0.47 -4.72 -3.62 4.39 8.00 -0.34 -1.31 116.55 118.48 2fta n ASP 71 Ca 0.33 0.39 -0.24 0.00 0.71 0.00 0.00 54.79 55.99 2fta n ASP 71 Cb 1.16 -4.21 0.07 0.00 -0.02 0.00 0.00 41.12 38.12 2fta n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2fta n TYR 72 N -2.36 -2.66 -4.03 1.24 4.01 0.17 -4.65 117.16 108.88 2fta n TYR 72 Ca -0.18 0.98 -0.16 0.00 -0.16 0.00 0.00 57.90 58.38 2fta n TYR 72 Cb 0.59 -4.88 -0.15 0.00 -0.31 0.00 0.00 39.34 34.58 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 -7.12 1.54 -0.02 7.72 1.43 -0.43 -3.86 118.68 117.94 2fta s LEU 73 Ca 0.48 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 2fta s LEU 73 Cb -0.22 -0.24 -0.07 0.00 0.03 0.00 0.00 46.19 45.70 2fta s LEU 73 CO 0.75 -0.03 1.73 -0.75 0.23 0.00 0.00 176.35 178.28 2fta s LYS 74 N 0.54 4.17 0.23 1.70 2.20 -1.26 -4.85 119.74 122.48 2fta s LYS 74 Ca -0.06 2.32 -0.31 0.00 -0.36 0.00 0.00 55.97 57.56 2fta s LYS 74 Cb -0.09 -3.99 -0.14 0.00 -1.51 0.00 0.00 37.83 32.11 2fta s LYS 74 CO -0.01 -0.86 1.35 -2.30 -0.36 0.00 0.00 175.35 173.17 2fta n PRO 75 N 7.06 1.86 -3.73 4.03 -0.02 -1.26 -1.89 135.00 141.04 2fta n PRO 75 Ca 0.18 0.66 -0.28 0.00 -2.02 0.00 0.00 63.50 62.04 2fta n PRO 75 Cb 0.42 -2.28 0.02 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.07 -4.80 -4.65 2.55 8.00 -1.26 -4.89 116.55 113.57 2fta n ASP 76 Ca 0.12 -0.66 -0.43 0.00 0.71 0.00 0.00 54.79 54.53 2fta n ASP 76 Cb 0.30 -3.85 -0.03 0.00 -0.02 0.00 0.00 41.12 37.53 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 -3.14 6.67 0.52 -2.24 -1.08 -0.79 -4.87 116.67 111.74 2fta s ASP 77 Ca 0.59 1.95 0.25 0.00 -0.52 0.00 0.00 52.55 54.82 2fta s ASP 77 Cb -0.30 -2.53 1.41 0.00 -1.46 0.00 0.00 42.92 40.04 2fta s ASP 77 CO 0.73 -0.96 2.09 0.77 0.52 0.00 0.00 175.17 178.31 2fta h SER 78 N 9.49 0.00 1.29 -0.34 4.64 -1.91 -2.39 113.55 124.34 2fta h SER 78 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2fta h SER 78 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2fta h SER 78 CO 0.97 0.11 0.00 0.03 -0.87 0.00 0.00 176.83 177.07 2fta h ARG 79 N 0.00 0.00 -5.89 4.77 3.08 -1.97 -3.42 114.38 110.95 2fta h ARG 79 Ca -0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 2fta h ARG 79 Cb 0.27 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.20 2fta h ARG 79 CO 0.01 0.00 0.46 0.08 -1.07 0.00 0.00 179.97 179.46 2fta s VAL 80 N -3.33 4.55 0.08 2.04 1.01 -0.90 -4.44 120.40 119.41 2fta s VAL 80 Ca 0.06 0.47 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2fta s VAL 80 Cb 0.09 -4.40 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 2fta s VAL 80 CO 0.55 -0.84 1.42 0.40 0.00 0.00 0.00 175.10 176.63 2fta h ILE 81 N 6.02 1.31 -2.58 2.22 2.04 -1.17 -3.47 117.51 121.87 2fta h ILE 81 Ca -0.25 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.26 2fta h ILE 81 Cb 1.08 1.60 -0.15 0.00 -0.74 0.00 0.00 36.82 38.61 2fta h ILE 81 CO 1.01 0.42 0.21 0.00 0.00 0.00 0.00 178.15 179.78 2fta s ALA 82 N -4.46 -1.67 0.03 1.87 0.00 -1.24 -5.01 121.76 111.28 2fta s ALA 82 Ca -0.13 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.39 2fta s ALA 82 Cb 0.08 0.52 0.09 0.00 0.00 0.00 0.00 23.12 23.80 2fta s ALA 82 CO 0.80 -0.61 0.79 -3.38 0.00 0.00 0.00 175.76 173.36 2fta s HIS 83 N -2.71 -0.43 0.51 0.00 -3.43 -1.26 -1.08 115.29 106.88 2fta s HIS 83 Ca -0.04 0.36 0.07 0.00 -0.80 0.00 0.00 55.06 54.66 2fta s HIS 83 Cb -0.01 0.53 0.07 0.00 -1.43 0.00 0.00 32.58 31.75 2fta s HIS 83 CO -0.04 -0.63 0.61 0.25 -2.00 0.00 0.00 174.74 172.94 2fta n THR 84 N -0.11 0.00 -2.45 -5.38 -2.24 -0.51 -4.82 114.28 98.77 2fta n THR 84 Ca -0.12 -1.79 -0.25 0.00 -2.27 0.00 0.00 64.05 59.62 2fta n THR 84 Cb 0.62 -0.42 0.12 0.00 -2.10 0.00 0.00 70.33 68.55 2fta n THR 84 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2fta s LYS 85 N -4.25 1.52 -0.04 -0.78 -2.85 -1.26 -4.60 119.74 107.47 2fta s LYS 85 Ca 0.47 -0.94 -0.24 0.00 -1.00 0.00 0.00 55.97 54.25 2fta s LYS 85 Cb -0.04 -2.23 -0.04 0.00 -2.06 0.00 0.00 37.83 33.46 2fta s LYS 85 CO 0.30 -1.61 0.74 -1.17 0.10 0.00 0.00 175.35 173.71 2fta s LEU 86 N -5.28 4.34 0.12 2.77 2.96 -1.26 -4.44 118.68 117.88 2fta s LEU 86 Ca 0.67 1.28 0.07 0.00 -0.22 0.00 0.00 54.13 55.93 2fta s LEU 86 Cb -0.05 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 2fta s LEU 86 CO 0.46 -0.12 -0.17 0.27 -1.32 0.00 0.00 176.35 175.47 2fta s ILE 87 N 0.72 1.51 0.45 6.68 -4.36 0.60 -4.88 121.20 121.93 2fta s ILE 87 Ca 0.39 -1.65 0.07 0.00 -0.26 0.00 0.00 60.65 59.20 2fta s ILE 87 Cb -0.18 -1.53 -0.01 0.00 1.25 0.00 0.00 42.46 41.98 2fta s ILE 87 CO 0.20 -0.27 0.32 -0.83 0.24 0.00 0.00 174.94 174.60 2fta s GLY 88 N -2.24 2.29 0.22 6.27 0.00 -1.26 -1.15 107.32 111.45 2fta s GLY 88 Ca 0.08 -1.76 -0.30 0.00 0.00 0.00 0.00 44.72 42.75 2fta s GLY 88 CO 0.04 -1.85 0.88 1.44 0.00 0.00 0.00 173.10 173.61 2fta n SER 89 N -1.51 0.37 0.00 1.64 7.64 -1.17 -0.75 113.62 119.85 2fta n SER 89 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2fta n SER 89 Cb 0.63 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2fta n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fta n GLY 90 N 1.67 2.65 3.99 0.23 0.00 -0.79 -4.91 105.19 108.03 2fta n GLY 90 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.12 2.92 0.09 1.61 2.02 0.07 -4.95 118.70 120.34 2fta s GLU 91 Ca 0.00 -1.00 -0.19 0.00 0.02 0.00 0.00 54.97 53.80 2fta s GLU 91 Cb 0.00 -2.72 0.04 0.00 0.10 0.00 0.00 34.13 31.55 2fta s GLU 91 CO 0.00 -0.21 0.45 -1.59 0.02 0.00 0.00 175.26 173.93 2fta s LYS 92 N -4.37 1.04 -0.22 1.61 -2.85 -1.26 -2.00 119.74 111.69 2fta s LYS 92 Ca 0.51 -0.47 -0.22 0.00 -1.00 0.00 0.00 55.97 54.79 2fta s LYS 92 Cb -0.10 0.47 0.06 0.00 -2.06 0.00 0.00 37.83 36.20 2fta s LYS 92 CO 0.34 -0.39 0.61 0.34 0.10 0.00 0.00 175.35 176.35 2fta s ASP 93 N -2.38 -0.63 0.14 0.03 2.15 0.05 -5.00 116.67 111.03 2fta s ASP 93 Ca -0.01 1.19 0.10 0.00 0.43 0.00 0.00 52.55 54.25 2fta s ASP 93 Cb 0.00 1.20 -0.04 0.00 -0.30 0.00 0.00 42.92 43.78 2fta s ASP 93 CO -0.07 -0.24 -0.21 -0.44 -0.17 0.00 0.00 175.17 174.04 2fta s SER 94 N 0.21 3.66 -0.00 -0.34 0.01 -1.26 -0.92 113.70 115.06 2fta s SER 94 Ca -0.01 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2fta s SER 94 Cb -0.04 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.78 2fta s SER 94 CO 0.01 0.16 -0.01 0.54 0.41 0.00 0.00 173.24 174.36 2fta s VAL 95 N -1.24 0.08 -0.04 3.43 0.11 -0.70 -4.94 120.40 117.11 2fta s VAL 95 Ca 0.18 -0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.25 2fta s VAL 95 Cb -0.10 -0.09 -0.01 0.00 -1.53 0.00 0.00 36.38 34.66 2fta s VAL 95 CO 0.09 0.03 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.79 2fta s THR 96 N 0.04 1.68 0.06 5.04 2.01 -1.26 -1.09 115.64 122.13 2fta s THR 96 Ca -0.00 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.12 2fta s THR 96 Cb -0.01 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2fta s THR 96 CO -0.00 0.48 -0.04 0.72 -0.69 0.00 0.00 174.62 175.08 2fta s PHE 97 N -0.19 0.61 0.05 4.92 -0.12 -0.83 -4.98 117.98 117.44 2fta s PHE 97 Ca 0.00 -0.98 -0.30 0.00 -0.05 0.00 0.00 56.93 55.61 2fta s PHE 97 Cb -0.11 -0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 41.83 2fta s PHE 97 CO 0.02 -0.30 1.00 -0.51 -0.05 0.00 0.00 175.22 175.38 2fta s ASP 98 N -2.81 7.37 0.61 1.98 1.01 -1.26 -1.77 116.67 121.80 2fta s ASP 98 Ca 0.06 1.76 0.40 0.00 0.71 0.00 0.00 52.55 55.49 2fta s ASP 98 Cb 0.06 -2.58 2.07 0.00 1.01 0.00 0.00 42.92 43.47 2fta s ASP 98 CO -0.08 -0.22 2.22 0.58 0.21 0.00 0.00 175.17 177.88 2fta h VAL 99 N 4.47 0.00 0.00 -1.27 2.07 -1.55 -1.91 116.25 118.06 2fta h VAL 99 Ca -0.42 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2fta h VAL 99 Cb 1.22 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2fta h VAL 99 CO 0.75 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.80 2fta n SER 100 N -3.00 0.15 -0.02 0.57 3.41 -1.26 -0.39 113.62 113.08 2fta n SER 100 Ca -0.02 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 2fta n SER 100 Cb 0.13 -0.58 0.52 0.00 -0.26 0.00 0.00 64.21 64.01 2fta n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2fta n LYS 101 N -1.68 0.12 -4.33 4.33 5.02 -0.72 -4.85 118.16 116.06 2fta n LYS 101 Ca 0.01 -0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.02 2fta n LYS 101 Cb 0.07 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.50 2fta n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2fta s LEU 102 N -2.90 3.04 -0.12 -0.35 1.43 0.47 -5.12 118.68 115.13 2fta s LEU 102 Ca 0.16 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 2fta s LEU 102 Cb 0.19 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.85 2fta s LEU 102 CO 0.57 0.03 0.33 -1.59 0.23 0.00 0.00 176.35 175.91 2fta s LYS 103 N -3.48 0.37 0.51 1.70 -2.85 -1.26 -5.01 119.74 109.72 2fta s LYS 103 Ca 0.30 0.49 -0.21 0.00 -1.00 0.00 0.00 55.97 55.55 2fta s LYS 103 Cb -0.07 0.14 -0.08 0.00 -2.06 0.00 0.00 37.83 35.76 2fta s LYS 103 CO 0.18 -0.06 0.88 0.39 0.10 0.00 0.00 175.35 176.84 2fta n GLU 104 N 3.13 1.00 -0.99 1.78 1.02 -1.26 -2.61 120.64 122.71 2fta n GLU 104 Ca -0.15 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2fta n GLU 104 Cb 0.57 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2fta n GLU 104 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fta n GLY 105 N 1.36 0.63 3.69 0.62 0.00 -1.26 -5.03 105.19 105.20 2fta n GLY 105 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2fta n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fta s GLU 106 N -0.01 3.85 -0.42 1.61 0.41 -1.07 -5.06 118.70 118.00 2fta s GLU 106 Ca 0.00 -0.30 -0.29 0.00 -0.41 0.00 0.00 54.97 53.97 2fta s GLU 106 Cb 0.00 -3.21 0.01 0.00 -1.78 0.00 0.00 34.13 29.16 2fta s GLU 106 CO 0.00 0.39 1.37 -0.65 -0.49 0.00 0.00 175.26 175.88 2fta s GLN 107 N 0.05 3.60 0.04 1.61 -0.21 -1.26 -4.88 119.66 118.60 2fta s GLN 107 Ca 0.06 0.88 0.06 0.00 0.02 0.00 0.00 55.36 56.39 2fta s GLN 107 Cb -0.12 -4.01 -0.03 0.00 1.00 0.00 0.00 33.01 29.85 2fta s GLN 107 CO 0.00 -1.54 -0.15 0.71 -2.12 0.00 0.00 175.29 172.19 2fta s TYR 108 N 5.29 2.64 -0.02 0.91 2.02 -1.24 -0.52 117.35 126.42 2fta s TYR 108 Ca 0.59 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 57.12 2fta s TYR 108 Cb -0.13 -1.49 -0.00 0.00 -0.40 0.00 0.00 41.96 39.94 2fta s TYR 108 CO 0.32 0.30 -0.12 -1.64 -1.57 0.00 0.00 175.55 172.84 2fta s MET 109 N -1.52 1.08 0.08 -0.62 -1.94 -0.24 -2.20 119.30 113.93 2fta s MET 109 Ca 0.16 -0.42 0.08 0.00 -1.71 0.00 0.00 55.69 53.80 2fta s MET 109 Cb -0.11 -1.01 -0.04 0.00 2.01 0.00 0.00 34.83 35.68 2fta s MET 109 CO 0.07 0.21 -0.19 -0.59 -0.01 0.00 0.00 175.02 174.51 2fta s PHE 110 N -0.10 2.53 0.18 -0.03 -0.12 0.12 -1.84 117.98 118.72 2fta s PHE 110 Ca 0.01 -0.27 -0.24 0.00 -0.05 0.00 0.00 56.93 56.38 2fta s PHE 110 Cb -0.07 -1.40 0.06 0.00 -0.63 0.00 0.00 43.02 40.99 2fta s PHE 110 CO 0.00 0.32 0.94 -0.59 -0.05 0.00 0.00 175.22 175.84 2fta s PHE 111 N -1.03 -0.09 -0.23 3.49 -0.71 0.03 -1.51 117.98 117.93 2fta s PHE 111 Ca 0.16 -0.26 -0.06 0.00 -1.04 0.00 0.00 56.93 55.74 2fta s PHE 111 Cb -0.10 0.66 -0.02 0.00 -1.21 0.00 0.00 43.02 42.35 2fta s PHE 111 CO 0.07 -0.91 0.02 0.00 -1.34 0.00 0.00 175.22 173.07 2fta h THR 113 N 5.55 1.22 0.00 0.00 1.35 -1.87 0.29 112.91 119.45 2fta h THR 113 Ca -0.39 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2fta h THR 113 Cb 1.17 -0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2fta h THR 113 CO 0.59 0.22 0.00 1.55 -0.25 0.00 0.00 175.52 177.63 2fta h PRO 114 N 1.14 0.00 -2.06 4.72 0.13 -1.89 -3.31 132.00 130.73 2fta h PRO 114 Ca 0.31 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.90 2fta h PRO 114 Cb -0.11 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.62 2fta h PRO 114 CO -0.06 0.00 -1.02 0.72 -0.23 0.00 0.00 178.00 177.41 2fta n HIS 115 N -2.76 0.94 0.18 1.56 8.25 -0.93 -4.97 115.22 117.49 2fta n HIS 115 Ca 0.03 -3.79 0.08 0.00 -0.26 0.00 0.00 57.72 53.78 2fta n HIS 115 Cb 0.39 -0.42 0.44 0.00 1.12 0.00 0.00 29.99 31.52 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 3.51 0.00 0.00 -0.41 0.13 -1.05 0.49 132.00 134.67 2fta h PRO 116 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2fta h PRO 116 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2fta h PRO 116 CO 0.57 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.31 2fta n PHE 117 N -2.16 0.16 -2.93 1.56 1.16 -1.26 -4.08 117.46 109.91 2fta n PHE 117 Ca -0.01 0.05 -0.44 0.00 -1.87 0.00 0.00 57.45 55.18 2fta n PHE 117 Cb 0.27 -0.58 -0.03 0.00 -1.61 0.00 0.00 39.48 37.53 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 -3.03 3.50 0.27 3.97 -1.94 0.17 -4.95 119.30 117.29 2fta s MET 118 Ca 0.12 -1.60 -0.02 0.00 -1.71 0.00 0.00 55.69 52.47 2fta s MET 118 Cb 0.16 -4.78 -0.02 0.00 2.01 0.00 0.00 34.83 32.19 2fta s MET 118 CO 0.48 -1.77 0.30 -1.59 -0.01 0.00 0.00 175.02 172.44 2fta s LYS 119 N 2.88 1.53 0.06 2.03 -2.85 -1.26 -2.40 119.74 119.73 2fta s LYS 119 Ca 0.30 -1.66 -0.28 0.00 -1.00 0.00 0.00 55.97 53.33 2fta s LYS 119 Cb -0.07 0.36 0.10 0.00 -2.06 0.00 0.00 37.83 36.15 2fta s LYS 119 CO -0.06 -0.58 1.16 0.20 0.10 0.00 0.00 175.35 176.18 2fta s GLY 120 N -3.19 -0.30 0.23 0.59 0.00 -0.57 -4.59 107.32 99.49 2fta s GLY 120 Ca 0.34 0.39 0.05 0.00 0.00 0.00 0.00 44.72 45.51 2fta s GLY 120 CO 0.16 0.53 0.31 -0.51 0.00 0.00 0.00 173.10 173.59 2fta s THR 121 N -2.68 5.06 -0.03 0.90 -4.23 -0.98 -0.70 115.64 112.99 2fta s THR 121 Ca 0.15 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2fta s THR 121 Cb 0.02 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.16 2fta s THR 121 CO -0.01 -0.30 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.55 2fta s LEU 122 N -3.82 1.19 0.17 4.79 0.20 -0.94 -0.28 118.68 119.99 2fta s LEU 122 Ca 0.34 -0.03 0.07 0.00 0.69 0.00 0.00 54.13 55.20 2fta s LEU 122 Cb -0.09 -0.22 -0.04 0.00 -0.43 0.00 0.00 46.19 45.40 2fta s LEU 122 CO 0.28 -0.10 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.21 2fta s THR 123 N 1.00 1.55 -2.94 3.68 2.01 -0.41 -3.71 115.64 116.82 2fta s THR 123 Ca -0.10 -2.04 0.25 0.00 0.31 0.00 0.00 61.69 60.10 2fta s THR 123 Cb -0.14 -1.87 0.24 0.00 0.01 0.00 0.00 72.50 70.74 2fta s THR 123 CO -0.02 -0.55 1.32 -0.11 -0.69 0.00 0.00 174.62 174.57