#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k45 n LYS 2 N 0.00 0.00 0.06 3.44 0.00 -1.26 -4.74 118.16 115.66 2k45 n LYS 2 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 2k45 n LYS 2 Cb 0.00 0.00 0.33 0.00 -0.00 0.00 0.00 35.03 35.36 2k45 n LYS 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2k45 n LEU 3 N 0.00 0.61 0.00 -5.58 4.77 0.74 -4.69 117.00 112.84 2k45 n LEU 3 Ca 0.00 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2k45 n LEU 3 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2k45 n LEU 3 CO 0.00 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 2k45 n GLY 4 N 1.37 -1.35 3.23 -0.72 0.00 -1.23 -2.94 105.19 103.55 2k45 n GLY 4 Ca 0.05 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 2k45 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k45 s LYS 5 N 0.00 1.16 -0.24 1.61 1.02 -1.22 -1.04 119.74 121.04 2k45 s LYS 5 Ca 0.00 -1.59 -0.04 0.00 0.02 0.00 0.00 55.97 54.36 2k45 s LYS 5 Cb 0.00 -0.03 0.08 0.00 -0.52 0.00 0.00 37.83 37.36 2k45 s LYS 5 CO 0.00 -0.26 0.10 -1.17 -0.92 0.00 0.00 175.35 173.11 2k45 s LEU 6 N -3.17 0.62 -0.01 3.17 2.96 0.32 -0.08 118.68 122.48 2k45 s LEU 6 Ca 0.31 -1.01 -0.22 0.00 -0.22 0.00 0.00 54.13 52.99 2k45 s LEU 6 Cb 0.07 -0.36 -0.05 0.00 0.50 0.00 0.00 46.19 46.35 2k45 s LEU 6 CO 0.07 -0.39 0.63 0.00 -1.32 0.00 0.00 176.35 175.35 2k45 s GLN 7 N 2.07 4.36 0.24 1.98 0.00 -0.16 -1.20 119.66 126.95 2k45 s GLN 7 Ca 0.05 0.80 0.01 0.00 -0.00 0.00 0.00 55.36 56.22 2k45 s GLN 7 Cb -0.16 -3.36 -0.04 0.00 0.00 0.00 0.00 33.01 29.45 2k45 s GLN 7 CO -0.23 0.31 0.15 1.52 0.00 0.00 0.00 175.29 177.04 2k45 s TYR 8 N -0.01 1.33 -0.05 9.60 -0.85 -0.98 0.12 117.35 126.53 2k45 s TYR 8 Ca 0.33 -1.41 -0.02 0.00 -0.52 0.00 0.00 57.07 55.45 2k45 s TYR 8 Cb -0.18 -0.64 0.03 0.00 0.38 0.00 0.00 41.96 41.55 2k45 s TYR 8 CO 0.18 -0.64 0.08 -1.54 -1.52 0.00 0.00 175.55 172.10 2k45 s SER 9 N -3.23 0.92 -0.11 -0.18 1.04 -0.98 -2.79 113.70 108.36 2k45 s SER 9 Ca 0.39 0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.97 2k45 s SER 9 Cb 0.06 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.13 2k45 s SER 9 CO 0.15 -0.23 -0.19 -0.76 0.98 0.00 0.00 173.24 173.19 2k45 s LEU 10 N 2.04 1.93 0.32 2.42 2.01 0.15 0.07 118.68 127.62 2k45 s LEU 10 Ca 0.03 -0.50 0.03 0.00 0.01 0.00 0.00 54.13 53.70 2k45 s LEU 10 Cb -0.12 -1.25 -0.05 0.00 0.01 0.00 0.00 46.19 44.77 2k45 s LEU 10 CO -0.04 0.08 0.08 -0.62 1.01 0.00 0.00 176.35 176.87 2k45 s ASP 11 N 0.69 2.11 -0.02 2.29 2.15 0.41 0.15 116.67 124.45 2k45 s ASP 11 Ca -0.12 -1.44 -0.00 0.00 0.43 0.00 0.00 52.55 51.42 2k45 s ASP 11 Cb -0.16 0.10 0.02 0.00 -0.30 0.00 0.00 42.92 42.58 2k45 s ASP 11 CO 0.03 -0.71 0.03 -0.72 -0.17 0.00 0.00 175.17 173.62 2k45 s TYR 12 N -3.41 0.02 -0.29 -5.34 1.13 -1.25 0.15 117.35 108.36 2k45 s TYR 12 Ca 0.35 0.11 -0.17 0.00 -1.41 0.00 0.00 57.07 55.94 2k45 s TYR 12 Cb 0.07 -0.18 -0.02 0.00 -1.10 0.00 0.00 41.96 40.73 2k45 s TYR 12 CO 0.15 -0.07 0.49 0.34 -2.51 0.00 0.00 175.55 173.95 2k45 s ASP 13 N 0.82 6.36 0.16 -0.18 -1.08 -0.68 -4.97 116.67 117.11 2k45 s ASP 13 Ca -0.07 0.30 0.21 0.00 -0.52 0.00 0.00 52.55 52.48 2k45 s ASP 13 Cb -0.10 -2.26 -0.04 0.00 -1.46 0.00 0.00 42.92 39.05 2k45 s ASP 13 CO -0.02 -0.33 0.97 2.22 0.52 0.00 0.00 175.17 178.52 2k45 n PHE 14 N 5.58 0.95 0.84 -5.34 1.16 -1.26 -1.18 117.46 118.20 2k45 n PHE 14 Ca -0.05 0.29 0.07 0.00 -1.87 0.00 0.00 57.45 55.88 2k45 n PHE 14 Cb 0.50 -0.98 0.19 0.00 -1.61 0.00 0.00 39.48 37.57 2k45 n PHE 14 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k45 n GLN 15 N -2.72 1.86 0.00 3.97 -0.00 -1.26 -1.42 117.38 117.82 2k45 n GLN 15 Ca -0.03 -1.34 0.04 0.00 -0.00 0.00 0.00 57.00 55.67 2k45 n GLN 15 Cb 0.62 -1.31 0.02 0.00 -0.00 0.00 0.00 30.24 29.58 2k45 n GLN 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2k45 n ASN 16 N 0.58 1.41 -3.63 2.61 0.23 -1.24 -5.03 115.26 110.20 2k45 n ASN 16 Ca 0.13 -1.20 -0.28 0.00 -0.53 0.00 0.00 54.58 52.70 2k45 n ASN 16 Cb 0.32 0.17 0.04 0.00 -2.08 0.00 0.00 39.78 38.24 2k45 n ASN 16 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k45 n ASN 17 N 0.16 -4.89 -4.11 0.53 4.13 -0.51 -4.90 115.26 105.68 2k45 n ASN 17 Ca 0.04 -0.95 -0.24 0.00 1.68 0.00 0.00 54.58 55.10 2k45 n ASN 17 Cb 0.18 -3.71 -0.16 0.00 -1.54 0.00 0.00 39.78 34.54 2k45 n ASN 17 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k45 s GLN 18 N -5.76 1.52 0.52 3.52 1.03 -0.33 -2.05 119.66 118.11 2k45 s GLN 18 Ca 0.41 -0.54 -0.08 0.00 0.04 0.00 0.00 55.36 55.19 2k45 s GLN 18 Cb -0.13 -1.36 -0.04 0.00 0.03 0.00 0.00 33.01 31.51 2k45 s GLN 18 CO 0.84 0.23 0.86 -0.51 -2.54 0.00 0.00 175.29 174.18 2k45 s LEU 19 N 0.00 3.53 -0.03 2.60 1.43 -0.02 -1.69 118.68 124.50 2k45 s LEU 19 Ca -0.02 1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 54.19 2k45 s LEU 19 Cb -0.10 -4.09 0.03 0.00 0.03 0.00 0.00 46.19 42.06 2k45 s LEU 19 CO 0.01 -0.65 0.05 -0.22 0.23 0.00 0.00 176.35 175.77 2k45 s LEU 20 N -4.77 0.93 -0.56 1.79 1.98 0.39 0.88 118.68 119.32 2k45 s LEU 20 Ca 0.50 0.08 0.06 0.00 -2.89 0.00 0.00 54.13 51.88 2k45 s LEU 20 Cb -0.10 -0.02 0.23 0.00 0.66 0.00 0.00 46.19 46.95 2k45 s LEU 20 CO 0.46 -0.15 0.61 1.33 -1.89 0.00 0.00 176.35 176.71 2k45 n VAL 21 N 4.31 1.08 -2.63 1.68 0.24 -1.25 0.16 118.33 121.92 2k45 n VAL 21 Ca -0.25 -4.67 -0.42 0.00 -2.04 0.00 0.00 64.34 56.96 2k45 n VAL 21 Cb 0.50 -2.03 -0.03 0.00 -1.47 0.00 0.00 33.84 30.81 2k45 n VAL 21 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2k45 s GLY 22 N -1.74 1.06 0.00 7.63 0.00 0.11 -4.04 107.32 110.34 2k45 s GLY 22 Ca 0.36 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2k45 s GLY 22 CO -0.08 2.50 0.00 0.29 0.00 0.00 0.00 173.10 175.81 2k45 n ILE 23 N 6.31 0.00 0.00 0.90 -5.35 -1.25 -2.33 119.36 117.64 2k45 n ILE 23 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2k45 n ILE 23 Cb 0.48 -0.79 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2k45 n ILE 24 N -0.16 0.00 -3.48 7.28 5.41 0.33 -2.61 119.36 126.12 2k45 n ILE 24 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 2k45 n ILE 24 Cb 0.00 -0.73 -0.04 0.00 -0.71 0.00 0.00 39.64 38.16 2k45 n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k45 s GLN 25 N -0.70 1.12 0.20 0.38 1.03 -1.05 0.22 119.66 120.85 2k45 s GLN 25 Ca 0.00 -0.04 0.11 0.00 0.04 0.00 0.00 55.36 55.47 2k45 s GLN 25 Cb 0.00 0.52 -0.04 0.00 0.03 0.00 0.00 33.01 33.52 2k45 s GLN 25 CO 0.00 -0.41 -0.19 0.00 -2.54 0.00 0.00 175.29 172.15 2k45 s ALA 26 N -2.21 2.69 -0.10 2.60 0.00 -1.09 -0.99 121.76 122.67 2k45 s ALA 26 Ca -0.06 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.30 2k45 s ALA 26 Cb -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2k45 s ALA 26 CO 0.00 0.42 -0.14 0.00 0.00 0.00 0.00 175.76 176.04 2k45 s ALA 27 N -1.78 1.62 -1.06 0.00 0.00 0.88 -2.02 121.76 119.39 2k45 s ALA 27 Ca 0.23 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 2k45 s ALA 27 Cb -0.08 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2k45 s ALA 27 CO 0.12 -0.07 0.89 0.39 0.00 0.00 0.00 175.76 177.10 2k45 n GLU 28 N 4.19 -5.94 -3.18 0.00 1.02 0.73 -3.41 120.64 114.04 2k45 n GLU 28 Ca -0.19 0.73 -0.39 0.00 -0.02 0.00 0.00 57.16 57.29 2k45 n GLU 28 Cb 0.51 -5.41 -0.06 0.00 -0.02 0.00 0.00 31.44 26.47 2k45 n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k45 s LEU 29 N -5.89 4.50 0.38 -4.62 1.43 0.27 -4.40 118.68 110.36 2k45 s LEU 29 Ca 0.10 1.32 -0.23 0.00 -1.03 0.00 0.00 54.13 54.29 2k45 s LEU 29 Cb -0.04 -3.00 -0.14 0.00 0.03 0.00 0.00 46.19 43.03 2k45 s LEU 29 CO 0.63 0.19 0.43 -2.65 0.23 0.00 0.00 176.35 175.18 2k45 n PRO 30 N 2.08 0.37 -3.20 1.29 -0.02 -1.26 -4.50 135.00 129.75 2k45 n PRO 30 Ca -0.08 0.13 -0.39 0.00 -2.02 0.00 0.00 63.50 61.14 2k45 n PRO 30 Cb 0.50 -1.31 -0.06 0.00 -0.02 0.00 0.00 33.50 32.61 2k45 n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k45 s ALA 31 N -1.46 3.49 -0.33 3.55 0.00 -1.26 -4.65 121.76 121.10 2k45 s ALA 31 Ca 0.62 -0.21 0.12 0.00 0.00 0.00 0.00 51.96 52.50 2k45 s ALA 31 Cb -0.66 -2.82 0.46 0.00 0.00 0.00 0.00 23.12 20.10 2k45 s ALA 31 CO 0.59 -0.26 1.10 1.47 0.00 0.00 0.00 175.76 178.66 2k45 n LEU 32 N 4.31 3.41 -4.01 0.00 -0.00 -1.20 -4.89 117.00 114.63 2k45 n LEU 32 Ca -0.04 -4.27 -0.08 0.00 -0.00 0.00 0.00 56.01 51.61 2k45 n LEU 32 Cb 0.51 -0.03 -0.10 0.00 -0.00 0.00 0.00 43.42 43.79 2k45 n LEU 32 CO 0.44 1.79 -0.33 -0.62 -0.00 0.00 0.00 177.39 178.66 2k45 s ASP 33 N -3.54 0.31 -1.51 1.45 -1.08 -0.89 -4.41 116.67 107.00 2k45 s ASP 33 Ca 0.40 -0.67 -0.11 0.00 -0.52 0.00 0.00 52.55 51.65 2k45 s ASP 33 Cb 0.40 0.16 0.00 0.00 -1.46 0.00 0.00 42.92 42.02 2k45 s ASP 33 CO -0.04 -0.44 2.52 0.23 0.52 0.00 0.00 175.17 177.96 2k45 n MET 34 N 0.96 3.39 -0.24 4.34 2.81 -1.26 -2.76 117.12 124.36 2k45 n MET 34 Ca -0.20 -2.57 0.00 0.00 -1.81 0.00 0.00 57.70 53.12 2k45 n MET 34 Cb 0.58 -3.01 0.00 0.00 -0.71 0.00 0.00 33.22 30.07 2k45 n MET 34 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k45 n GLY 35 N 3.61 0.51 3.72 3.03 0.00 -1.26 -4.96 105.19 109.85 2k45 n GLY 35 Ca 0.63 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.37 2k45 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k45 n GLY 36 N 0.00 -0.49 3.36 -0.02 0.00 -1.11 -4.97 105.19 101.96 2k45 n GLY 36 Ca 0.00 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2k45 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k45 s THR 37 N -3.18 0.25 0.23 2.61 -4.23 -1.25 -4.89 115.64 105.18 2k45 s THR 37 Ca 0.57 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.12 2k45 s THR 37 Cb -0.29 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 2k45 s THR 37 CO 0.70 0.00 -0.03 -0.94 -0.54 0.00 0.00 174.62 173.81 2k45 s SER 38 N -3.43 2.03 -0.77 3.99 1.04 -1.26 -2.10 113.70 113.20 2k45 s SER 38 Ca 0.34 -1.18 0.03 0.00 0.48 0.00 0.00 55.95 55.62 2k45 s SER 38 Cb 0.03 -0.03 0.24 0.00 0.10 0.00 0.00 66.02 66.36 2k45 s SER 38 CO 0.21 -0.44 0.82 0.47 0.98 0.00 0.00 173.24 175.27 2k45 n ASP 39 N -0.42 4.12 -4.73 7.02 9.92 -1.25 -0.68 116.55 130.52 2k45 n ASP 39 Ca -0.06 -3.33 -0.34 0.00 -0.53 0.00 0.00 54.79 50.53 2k45 n ASP 39 Cb 0.63 -0.86 0.09 0.00 -0.64 0.00 0.00 41.12 40.35 2k45 n ASP 39 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 2k45 s PRO 40 N -2.11 2.12 -0.28 -0.24 0.02 -1.26 -0.23 135.00 133.02 2k45 s PRO 40 Ca 0.33 1.65 -0.18 0.00 0.02 0.00 0.00 61.00 62.82 2k45 s PRO 40 Cb 0.05 -1.84 0.11 0.00 0.02 0.00 0.00 34.50 32.84 2k45 s PRO 40 CO -0.05 -1.83 0.85 1.52 -0.33 0.00 0.00 177.00 177.16 2k45 s TYR 41 N -2.16 -0.78 -0.40 6.54 -0.85 -0.47 -3.46 117.35 115.78 2k45 s TYR 41 Ca 0.72 1.60 -0.20 0.00 -0.52 0.00 0.00 57.07 58.67 2k45 s TYR 41 Cb -0.26 0.46 0.01 0.00 0.38 0.00 0.00 41.96 42.55 2k45 s TYR 41 CO 0.47 -0.38 0.62 0.08 -1.52 0.00 0.00 175.55 174.81 2k45 s VAL 42 N 1.26 4.88 -0.30 -3.49 1.01 -1.16 0.11 120.40 122.72 2k45 s VAL 42 Ca -0.07 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 2k45 s VAL 42 Cb -0.04 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2k45 s VAL 42 CO -0.15 -0.44 0.29 -1.59 0.00 0.00 0.00 175.10 173.22 2k45 s LYS 43 N 2.71 3.83 -0.19 2.72 -2.85 0.28 -0.54 119.74 125.70 2k45 s LYS 43 Ca 0.23 -0.27 -0.07 0.00 -1.00 0.00 0.00 55.97 54.86 2k45 s LYS 43 Cb -0.14 -3.71 -0.04 0.00 -2.06 0.00 0.00 37.83 31.88 2k45 s LYS 43 CO 0.17 -0.32 0.05 0.54 0.10 0.00 0.00 175.35 175.88 2k45 s VAL 44 N 1.91 4.54 0.29 1.79 0.11 -1.18 -0.37 120.40 127.49 2k45 s VAL 44 Ca 0.10 -0.12 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 2k45 s VAL 44 Cb -0.16 -3.05 -0.01 0.00 -1.53 0.00 0.00 36.38 31.62 2k45 s VAL 44 CO 0.11 0.44 0.38 0.72 -3.33 0.00 0.00 175.10 173.42 2k45 s PHE 45 N 0.61 0.98 0.25 1.54 -0.71 -0.52 -3.41 117.98 116.72 2k45 s PHE 45 Ca 0.02 -1.21 0.12 0.00 -1.04 0.00 0.00 56.93 54.82 2k45 s PHE 45 Cb -0.13 -0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.44 2k45 s PHE 45 CO 0.02 -0.96 -0.20 -0.51 -1.34 0.00 0.00 175.22 172.23 2k45 s LEU 46 N -3.18 2.59 0.39 -1.99 1.43 -1.26 -1.70 118.68 114.96 2k45 s LEU 46 Ca 0.31 -0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 52.24 2k45 s LEU 46 Cb 0.01 -1.18 -0.10 0.00 0.03 0.00 0.00 46.19 44.95 2k45 s LEU 46 CO 0.16 0.07 0.98 -1.48 0.23 0.00 0.00 176.35 176.31 2k45 s LEU 47 N -3.22 4.12 0.00 1.79 2.34 -1.13 -3.62 118.68 118.96 2k45 s LEU 47 Ca 0.27 1.84 0.00 0.00 0.06 0.00 0.00 54.13 56.30 2k45 s LEU 47 Cb -0.06 -4.27 0.00 0.00 -0.56 0.00 0.00 46.19 41.30 2k45 s LEU 47 CO 0.14 -0.31 0.00 -2.65 -1.06 0.00 0.00 176.35 172.47 2k45 n PRO 48 N -0.10 0.00 -0.00 1.48 -0.02 -1.26 -4.07 135.00 131.03 2k45 n PRO 48 Ca 0.05 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2k45 n PRO 48 Cb 0.51 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.99 2k45 n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k45 h ASP 49 N 0.00 0.00 -5.61 2.55 3.58 -1.99 -3.49 116.42 111.47 2k45 h ASP 49 Ca 0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 2k45 h ASP 49 Cb 0.00 0.00 0.17 0.00 1.72 0.00 0.00 39.33 41.22 2k45 h ASP 49 CO 0.00 0.03 -0.80 1.17 -2.88 0.00 0.00 179.24 176.76 2k45 n LYS 50 N -2.28 -5.22 -0.47 0.28 0.00 -1.24 -4.85 118.16 104.39 2k45 n LYS 50 Ca -0.00 0.85 -0.05 0.00 0.00 0.00 0.00 58.31 59.11 2k45 n LYS 50 Cb 0.01 -5.83 0.12 0.00 0.00 0.00 0.00 35.03 29.33 2k45 n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k45 n LYS 51 N -3.86 2.01 -3.36 1.64 4.76 -1.26 -4.69 118.16 113.39 2k45 n LYS 51 Ca -0.22 -1.31 -0.17 0.00 -2.87 0.00 0.00 58.31 53.74 2k45 n LYS 51 Cb 0.65 -1.64 -0.08 0.00 -1.84 0.00 0.00 35.03 32.13 2k45 n LYS 51 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2k45 s LYS 52 N -1.55 0.58 -0.78 1.97 -2.85 -1.26 -4.53 119.74 111.31 2k45 s LYS 52 Ca 0.24 -0.70 -0.21 0.00 -1.00 0.00 0.00 55.97 54.31 2k45 s LYS 52 Cb 0.19 -0.69 0.10 0.00 -2.06 0.00 0.00 37.83 35.37 2k45 s LYS 52 CO 0.06 -1.16 1.03 0.21 0.10 0.00 0.00 175.35 175.58 2k45 s LYS 53 N 1.64 3.34 0.36 1.78 2.20 -1.26 -4.30 119.74 123.49 2k45 s LYS 53 Ca 0.15 -1.30 0.08 0.00 -0.36 0.00 0.00 55.97 54.55 2k45 s LYS 53 Cb -0.15 -4.57 -0.05 0.00 -1.51 0.00 0.00 37.83 31.55 2k45 s LYS 53 CO -0.10 -1.79 0.08 -0.06 -0.36 0.00 0.00 175.35 173.12 2k45 s PHE 54 N 3.36 2.60 -0.28 4.03 0.08 -1.22 -5.02 117.98 121.52 2k45 s PHE 54 Ca 0.27 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.82 2k45 s PHE 54 Cb -0.12 -1.63 0.17 0.00 -0.57 0.00 0.00 43.02 40.87 2k45 s PHE 54 CO 0.01 0.39 0.56 -2.00 -0.10 0.00 0.00 175.22 174.07 2k45 s GLU 55 N -3.78 0.52 -0.02 0.44 2.12 -1.25 -3.12 118.70 113.61 2k45 s GLU 55 Ca 0.37 0.98 -0.27 0.00 0.36 0.00 0.00 54.97 56.41 2k45 s GLU 55 Cb 0.01 0.40 -0.03 0.00 0.26 0.00 0.00 34.13 34.76 2k45 s GLU 55 CO 0.21 -0.55 0.86 0.95 -0.54 0.00 0.00 175.26 176.18 2k45 s THR 56 N 2.79 4.92 -0.48 -1.70 -4.23 0.30 -4.86 115.64 112.39 2k45 s THR 56 Ca 0.15 1.79 -0.17 0.00 -1.18 0.00 0.00 61.69 62.28 2k45 s THR 56 Cb -0.15 -4.20 0.06 0.00 1.34 0.00 0.00 72.50 69.56 2k45 s THR 56 CO -0.19 0.21 0.47 -1.59 -0.54 0.00 0.00 174.62 172.98 2k45 s LYS 57 N 0.84 3.04 -0.39 3.99 0.00 -1.26 -2.97 119.74 122.98 2k45 s LYS 57 Ca 0.45 -1.15 0.01 0.00 0.00 0.00 0.00 55.97 55.29 2k45 s LYS 57 Cb -0.20 -4.11 0.11 0.00 0.00 0.00 0.00 37.83 33.63 2k45 s LYS 57 CO 0.24 -1.08 0.14 0.54 0.00 0.00 0.00 175.35 175.19 2k45 s VAL 58 N 2.01 2.78 -0.49 1.79 0.11 -1.26 -4.91 120.40 120.43 2k45 s VAL 58 Ca 0.08 -2.29 0.07 0.00 -2.93 0.00 0.00 61.98 56.91 2k45 s VAL 58 Cb -0.22 -2.97 0.26 0.00 -1.53 0.00 0.00 36.38 31.92 2k45 s VAL 58 CO 0.09 -0.66 0.64 0.00 -3.33 0.00 0.00 175.10 171.84 2k45 n HIS 59 N 4.31 1.39 -3.35 1.54 1.44 -1.22 -4.21 115.22 115.12 2k45 n HIS 59 Ca 0.02 -3.82 -0.43 0.00 -2.01 0.00 0.00 57.72 51.47 2k45 n HIS 59 Cb 0.41 -0.44 -0.08 0.00 0.12 0.00 0.00 29.99 30.00 2k45 n HIS 59 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2k45 s ARG 60 N -1.86 3.04 -1.36 -1.40 1.04 -1.26 -4.82 118.95 112.33 2k45 s ARG 60 Ca 0.38 -0.97 -0.01 0.00 -1.04 0.00 0.00 55.73 54.08 2k45 s ARG 60 Cb 0.18 -4.03 0.01 0.00 -2.04 0.00 0.00 34.95 29.07 2k45 s ARG 60 CO -0.07 -0.92 0.62 1.63 -0.04 0.00 0.00 175.30 176.52 2k45 n LYS 61 N 5.48 -4.39 -3.66 3.89 4.76 -1.21 -4.88 118.16 118.16 2k45 n LYS 61 Ca -0.09 0.54 -0.08 0.00 -2.87 0.00 0.00 58.31 55.82 2k45 n LYS 61 Cb 0.46 -4.98 -0.08 0.00 -1.84 0.00 0.00 35.03 28.59 2k45 n LYS 61 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2k45 s THR 62 N -3.74 -0.16 -0.74 -0.18 -4.23 0.14 -4.75 115.64 101.97 2k45 s THR 62 Ca 0.04 0.04 0.26 0.00 -1.18 0.00 0.00 61.69 60.86 2k45 s THR 62 Cb -0.02 -0.85 0.24 0.00 1.34 0.00 0.00 72.50 73.20 2k45 s THR 62 CO 0.84 0.02 1.70 0.18 -0.54 0.00 0.00 174.62 176.82 2k45 n LEU 63 N 4.50 0.72 -3.28 4.79 4.77 -1.26 -4.10 117.00 123.15 2k45 n LEU 63 Ca -0.19 0.50 -0.26 0.00 -0.03 0.00 0.00 56.01 56.02 2k45 n LEU 63 Cb 0.56 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 2k45 n LEU 63 CO 0.01 -0.14 0.05 -3.20 -1.33 0.00 0.00 177.39 172.79 2k45 n ASN 64 N -2.16 3.55 -4.18 -1.43 4.05 -1.26 0.94 115.26 114.77 2k45 n ASN 64 Ca 0.05 -3.43 -0.25 0.00 0.45 0.00 0.00 54.58 51.41 2k45 n ASN 64 Cb 0.42 -0.64 -0.15 0.00 1.23 0.00 0.00 39.78 40.64 2k45 n ASN 64 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2k45 s PRO 65 N -2.60 1.41 -0.04 1.20 0.04 -0.86 -4.79 135.00 129.36 2k45 s PRO 65 Ca 0.42 -0.67 -0.18 0.00 0.04 0.00 0.00 61.00 60.61 2k45 s PRO 65 Cb 0.19 -1.38 0.03 0.00 0.04 0.00 0.00 34.50 33.38 2k45 s PRO 65 CO -0.05 0.37 0.39 0.08 0.04 0.00 0.00 177.00 177.84 2k45 s VAL 66 N -0.47 0.04 0.03 -0.36 1.01 -1.24 -2.66 120.40 116.75 2k45 s VAL 66 Ca 0.07 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2k45 s VAL 66 Cb -0.07 -0.69 -0.25 0.00 0.00 0.00 0.00 36.38 35.38 2k45 s VAL 66 CO -0.00 -0.18 0.94 0.15 0.00 0.00 0.00 175.10 176.01 2k45 h PHE 67 N 3.88 0.21 -4.54 5.22 3.57 -1.65 -3.29 116.94 120.33 2k45 h PHE 67 Ca -0.29 -0.15 -0.19 0.00 3.53 0.00 0.00 57.97 60.88 2k45 h PHE 67 Cb 1.17 -0.01 0.12 0.00 2.79 0.00 0.00 35.95 40.03 2k45 h PHE 67 CO 0.48 1.18 -0.55 -1.71 -2.23 0.00 0.00 178.31 175.48 2k45 n ASN 68 N -3.33 -3.93 -3.15 0.41 5.15 0.60 -4.90 115.26 106.12 2k45 n ASN 68 Ca -0.11 -0.45 0.04 0.00 -0.60 0.00 0.00 54.58 53.46 2k45 n ASN 68 Cb 1.01 -3.60 -0.00 0.00 -0.53 0.00 0.00 39.78 36.67 2k45 n ASN 68 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2k45 s GLU 69 N -4.29 0.52 -0.17 1.20 2.12 -1.07 -4.78 118.70 112.22 2k45 s GLU 69 Ca 0.19 0.50 -0.02 0.00 0.36 0.00 0.00 54.97 56.00 2k45 s GLU 69 Cb -0.02 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.58 2k45 s GLU 69 CO 0.49 -0.97 -0.08 -1.14 -0.54 0.00 0.00 175.26 173.01 2k45 s GLN 70 N 2.83 3.40 -0.66 4.30 -0.44 -1.26 -3.95 119.66 123.88 2k45 s GLN 70 Ca 0.12 -0.65 -0.18 0.00 -2.50 0.00 0.00 55.36 52.15 2k45 s GLN 70 Cb -0.09 -2.83 0.12 0.00 -1.64 0.00 0.00 33.01 28.57 2k45 s GLN 70 CO -0.25 0.02 0.77 0.12 0.50 0.00 0.00 175.29 176.45 2k45 s PHE 71 N 0.88 3.09 0.05 1.67 5.36 -1.26 -2.74 117.98 125.03 2k45 s PHE 71 Ca -0.02 -1.12 0.00 0.00 -0.96 0.00 0.00 56.93 54.83 2k45 s PHE 71 Cb -0.15 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.50 2k45 s PHE 71 CO 0.01 -1.30 0.00 2.41 -1.46 0.00 0.00 175.22 174.88 2k45 n THR 72 N 5.38 -1.44 -3.82 0.12 -1.04 -1.26 -4.75 114.28 107.46 2k45 n THR 72 Ca -0.03 0.24 -0.36 0.00 -2.04 0.00 0.00 64.05 61.86 2k45 n THR 72 Cb 0.44 -0.41 -0.13 0.00 -1.82 0.00 0.00 70.33 68.41 2k45 n THR 72 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2k45 s PHE 73 N -2.06 3.35 -1.35 -1.42 0.08 0.25 -4.60 117.98 112.23 2k45 s PHE 73 Ca 0.00 -1.88 -0.13 0.00 0.12 0.00 0.00 56.93 55.04 2k45 s PHE 73 Cb 0.00 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 2k45 s PHE 73 CO 0.00 -0.83 2.38 1.17 -0.10 0.00 0.00 175.22 177.84 2k45 n LYS 74 N 4.68 2.81 -3.70 0.44 3.00 -1.26 -0.84 118.16 123.30 2k45 n LYS 74 Ca -0.10 -2.26 -0.12 0.00 -0.00 0.00 0.00 58.31 55.83 2k45 n LYS 74 Cb 0.43 -3.01 -0.12 0.00 0.00 0.00 0.00 35.03 32.33 2k45 n LYS 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2k45 s VAL 75 N 3.20 -0.20 0.68 3.15 -7.23 -1.26 -4.64 120.40 114.11 2k45 s VAL 75 Ca 0.54 0.18 -0.17 0.00 -1.81 0.00 0.00 61.98 60.73 2k45 s VAL 75 Cb 0.15 -0.47 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 2k45 s VAL 75 CO -0.04 0.07 0.91 -2.65 -0.31 0.00 0.00 175.10 173.08 2k45 n PRO 76 N 4.67 0.59 -0.13 4.82 -0.02 -0.87 -3.01 135.00 141.05 2k45 n PRO 76 Ca -0.18 0.25 -0.01 0.00 -2.02 0.00 0.00 63.50 61.54 2k45 n PRO 76 Cb 0.52 -2.15 0.24 0.00 -0.02 0.00 0.00 33.50 32.09 2k45 n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k45 h TYR 77 N -0.05 0.82 -0.19 6.00 -0.00 -1.95 0.37 116.97 121.97 2k45 h TYR 77 Ca -0.47 -0.04 0.04 0.00 0.00 0.00 0.00 58.73 58.25 2k45 h TYR 77 Cb 1.35 -0.25 -0.01 0.00 0.00 0.00 0.00 36.73 37.82 2k45 h TYR 77 CO 0.38 0.63 0.13 0.66 -0.00 0.00 0.00 178.16 179.96 2k45 h SER 78 N 0.81 0.08 1.14 0.10 4.64 -1.96 -1.98 113.55 116.37 2k45 h SER 78 Ca 0.19 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 2k45 h SER 78 Cb 0.15 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2k45 h SER 78 CO -0.02 0.05 -0.90 -0.08 -0.87 0.00 0.00 176.83 175.01 2k45 h GLU 79 N 0.09 0.00 -0.27 4.77 4.57 -0.96 -3.32 114.58 119.46 2k45 h GLU 79 Ca 0.09 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 2k45 h GLU 79 Cb 0.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2k45 h GLU 79 CO -0.01 0.26 -0.05 1.25 -1.18 0.00 0.00 179.01 179.28 2k45 h LEU 80 N 0.00 0.39 -0.61 1.64 6.46 0.36 -3.26 115.31 120.29 2k45 h LEU 80 Ca -0.06 -0.08 0.12 0.00 -0.12 0.00 0.00 57.88 57.74 2k45 h LEU 80 Cb 1.34 -0.10 -0.12 0.00 -0.73 0.00 0.00 40.66 41.05 2k45 h LEU 80 CO 0.04 0.50 -0.17 1.23 -0.62 0.00 0.00 178.44 179.41 2k45 h GLY 81 N 0.80 0.38 2.00 3.75 0.00 -1.65 0.17 103.07 108.52 2k45 h GLY 81 Ca 0.08 0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.55 2k45 h GLY 81 CO 0.02 -0.23 -0.42 -1.33 0.00 0.00 0.00 176.54 174.57 2k45 h GLY 82 N -0.02 0.00 -3.47 4.60 0.00 -1.83 -3.36 103.07 98.99 2k45 h GLY 82 Ca 0.29 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.13 2k45 h GLY 82 CO -0.64 0.00 0.34 0.54 0.00 0.00 0.00 176.54 176.78 2k45 s LYS 83 N -3.98 4.73 -0.20 4.80 -0.14 0.60 -4.97 119.74 120.57 2k45 s LYS 83 Ca -0.02 1.40 -0.00 0.00 -1.36 0.00 0.00 55.97 55.99 2k45 s LYS 83 Cb 0.14 -3.08 0.05 0.00 -1.68 0.00 0.00 37.83 33.26 2k45 s LYS 83 CO 0.72 0.42 -0.05 0.95 -0.76 0.00 0.00 175.35 176.64 2k45 s THR 84 N -1.36 1.28 0.18 2.17 -4.23 -1.26 -1.66 115.64 110.76 2k45 s THR 84 Ca 0.45 -0.91 -0.26 0.00 -1.18 0.00 0.00 61.69 59.79 2k45 s THR 84 Cb -0.23 -1.52 -0.08 0.00 1.34 0.00 0.00 72.50 72.01 2k45 s THR 84 CO 0.28 0.00 0.80 -1.48 -0.54 0.00 0.00 174.62 173.69 2k45 s LEU 85 N 1.53 4.60 -0.09 4.79 0.05 -0.67 -2.83 118.68 126.06 2k45 s LEU 85 Ca -0.02 1.70 0.04 0.00 0.05 0.00 0.00 54.13 55.89 2k45 s LEU 85 Cb -0.17 -3.35 -0.00 0.00 -2.05 0.00 0.00 46.19 40.62 2k45 s LEU 85 CO -0.07 0.20 -0.24 0.68 -0.55 0.00 0.00 176.35 176.37 2k45 s VAL 86 N -1.16 2.01 0.01 1.48 -7.23 -0.69 -2.37 120.40 112.45 2k45 s VAL 86 Ca 0.37 -1.00 0.08 0.00 -1.81 0.00 0.00 61.98 59.62 2k45 s VAL 86 Cb -0.24 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 2k45 s VAL 86 CO 0.27 0.55 -0.26 -0.32 -0.31 0.00 0.00 175.10 175.04 2k45 s MET 87 N 0.28 1.96 -0.15 4.82 0.00 -0.79 -1.44 119.30 123.98 2k45 s MET 87 Ca -0.17 -0.99 -0.03 0.00 0.00 0.00 0.00 55.69 54.51 2k45 s MET 87 Cb -0.17 -1.98 0.05 0.00 0.00 0.00 0.00 34.83 32.73 2k45 s MET 87 CO 0.08 0.53 0.04 0.00 0.00 0.00 0.00 175.02 175.67 2k45 s ALA 88 N -0.68 0.80 -0.31 4.11 0.00 0.50 -0.79 121.76 125.39 2k45 s ALA 88 Ca 0.10 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.32 2k45 s ALA 88 Cb -0.10 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2k45 s ALA 88 CO 0.00 -0.96 1.30 0.54 0.00 0.00 0.00 175.76 176.64 2k45 s VAL 89 N 1.95 4.14 -0.15 0.00 0.11 -0.55 -0.56 120.40 125.33 2k45 s VAL 89 Ca 0.01 1.27 -0.02 0.00 -2.93 0.00 0.00 61.98 60.32 2k45 s VAL 89 Cb -0.15 -4.18 -0.02 0.00 -1.53 0.00 0.00 36.38 30.50 2k45 s VAL 89 CO -0.07 -0.51 -0.09 -0.47 -3.33 0.00 0.00 175.10 170.63 2k45 s TYR 90 N 4.43 2.89 -0.16 1.54 6.14 0.31 -2.76 117.35 129.74 2k45 s TYR 90 Ca 0.56 -0.56 -0.14 0.00 0.64 0.00 0.00 57.07 57.57 2k45 s TYR 90 Cb -0.16 -1.90 -0.05 0.00 0.42 0.00 0.00 41.96 40.27 2k45 s TYR 90 CO 0.24 -0.19 0.28 0.34 0.64 0.00 0.00 175.55 176.86 2k45 s ASP 91 N 0.45 6.42 -0.45 4.32 2.15 -1.18 -1.37 116.67 127.02 2k45 s ASP 91 Ca -0.07 0.49 -0.29 0.00 0.43 0.00 0.00 52.55 53.11 2k45 s ASP 91 Cb -0.15 -2.18 0.03 0.00 -0.30 0.00 0.00 42.92 40.32 2k45 s ASP 91 CO 0.04 0.11 1.16 0.12 -0.17 0.00 0.00 175.17 176.43 2k45 s PHE 92 N 0.44 2.82 -2.42 -5.34 5.36 0.68 -3.95 117.98 115.57 2k45 s PHE 92 Ca 0.16 0.78 0.28 0.00 -0.96 0.00 0.00 56.93 57.19 2k45 s PHE 92 Cb -0.13 -4.31 1.06 0.00 -0.34 0.00 0.00 43.02 39.29 2k45 s PHE 92 CO 0.04 -1.28 1.75 -3.47 -1.46 0.00 0.00 175.22 170.79 2k45 n ASP 93 N 7.80 1.41 0.00 6.13 -0.08 -1.26 -3.97 116.55 126.58 2k45 n ASP 93 Ca 0.12 -1.43 0.00 0.00 -1.51 0.00 0.00 54.79 51.97 2k45 n ASP 93 Cb 0.49 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.95 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k45 n ARG 94 N 0.07 0.00 0.05 -0.67 1.74 -1.26 -3.85 116.66 112.74 2k45 n ARG 94 Ca 0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2k45 n ARG 94 Cb 0.35 -3.00 0.00 0.00 -1.02 0.00 0.00 32.46 28.79 2k45 n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k45 n PHE 95 N -0.87 -1.16 -1.21 -1.55 7.35 -1.26 -5.13 117.46 113.63 2k45 n PHE 95 Ca 0.00 0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 2k45 n PHE 95 Cb 0.00 0.71 0.00 0.00 0.35 0.00 0.00 39.48 40.54 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2k45 n SER 96 N -2.77 0.00 -4.69 -2.13 3.41 -1.25 -4.97 113.62 101.22 2k45 n SER 96 Ca 0.00 -0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 57.68 2k45 n SER 96 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2k45 n SER 96 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k45 s LYS 97 N -0.82 4.22 -0.10 4.33 -0.14 -1.26 -4.72 119.74 121.25 2k45 s LYS 97 Ca 0.00 2.27 -0.29 0.00 -1.36 0.00 0.00 55.97 56.58 2k45 s LYS 97 Cb 0.00 -3.54 -0.05 0.00 -1.68 0.00 0.00 37.83 32.57 2k45 s LYS 97 CO 0.00 -0.69 1.64 -1.01 -0.76 0.00 0.00 175.35 174.53 2k45 s HIS 98 N 2.40 2.03 -0.21 3.18 3.76 -1.26 -4.85 115.29 120.34 2k45 s HIS 98 Ca 0.72 0.31 -0.24 0.00 -0.15 0.00 0.00 55.06 55.70 2k45 s HIS 98 Cb -0.39 -3.90 -0.01 0.00 1.11 0.00 0.00 32.58 29.39 2k45 s HIS 98 CO 0.31 -3.56 0.80 0.34 -0.85 0.00 0.00 174.74 171.78 2k45 s ASP 99 N 3.55 6.85 0.03 1.40 2.15 -1.25 -4.89 116.67 124.51 2k45 s ASP 99 Ca 0.73 1.05 -0.30 0.00 0.43 0.00 0.00 52.55 54.45 2k45 s ASP 99 Cb -0.31 -2.43 -0.07 0.00 -0.30 0.00 0.00 42.92 39.81 2k45 s ASP 99 CO 0.29 -0.44 1.57 -0.63 -0.17 0.00 0.00 175.17 175.78 2k45 s ILE 100 N 2.49 3.31 -0.07 4.11 1.01 -1.26 -3.11 121.20 127.68 2k45 s ILE 100 Ca 0.35 0.71 -0.24 0.00 0.00 0.00 0.00 60.65 61.47 2k45 s ILE 100 Cb -0.16 -3.46 -0.30 0.00 0.01 0.00 0.00 42.46 38.56 2k45 s ILE 100 CO 0.09 -0.01 0.85 0.16 0.00 0.00 0.00 174.94 176.03 2k45 h ILE 101 N 4.92 1.57 -0.51 2.92 3.07 -1.82 -3.45 117.51 124.21 2k45 h ILE 101 Ca -0.41 -2.49 0.00 0.00 1.55 0.00 0.00 64.86 63.52 2k45 h ILE 101 Cb 1.19 3.23 0.00 0.00 -0.27 0.00 0.00 36.82 40.98 2k45 h ILE 101 CO 0.92 0.69 0.00 0.61 -1.05 0.00 0.00 178.15 179.32 2k45 n GLY 102 N 1.65 1.69 3.59 0.16 0.00 -1.21 -3.44 105.19 107.63 2k45 n GLY 102 Ca -0.13 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 2k45 n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k45 s GLU 103 N 0.80 1.13 -0.03 1.61 2.12 0.13 -1.49 118.70 122.98 2k45 s GLU 103 Ca 0.00 -0.51 -0.03 0.00 0.36 0.00 0.00 54.97 54.79 2k45 s GLU 103 Cb 0.00 0.46 0.01 0.00 0.26 0.00 0.00 34.13 34.86 2k45 s GLU 103 CO 0.00 -0.51 0.09 -0.59 -0.54 0.00 0.00 175.26 173.71 2k45 s PHE 104 N -3.40 -0.08 -0.18 5.30 -0.12 0.03 -1.74 117.98 117.79 2k45 s PHE 104 Ca 0.07 0.19 0.01 0.00 -0.05 0.00 0.00 56.93 57.14 2k45 s PHE 104 Cb -0.02 0.02 0.03 0.00 -0.63 0.00 0.00 43.02 42.43 2k45 s PHE 104 CO -0.05 -0.07 -0.13 0.21 -0.05 0.00 0.00 175.22 175.13 2k45 s LYS 105 N -0.10 2.25 -0.19 1.99 2.47 -1.26 -1.88 119.74 123.01 2k45 s LYS 105 Ca -0.02 -0.75 -0.04 0.00 -1.56 0.00 0.00 55.97 53.60 2k45 s LYS 105 Cb -0.01 -2.34 0.09 0.00 -1.46 0.00 0.00 37.83 34.11 2k45 s LYS 105 CO 0.00 -0.34 0.28 0.08 0.16 0.00 0.00 175.35 175.54 2k45 s VAL 106 N 1.41 -0.44 0.09 4.02 1.01 -1.00 -5.05 120.40 120.44 2k45 s VAL 106 Ca 0.01 0.04 -0.32 0.00 0.00 0.00 0.00 61.98 61.71 2k45 s VAL 106 Cb -0.15 -0.64 -0.11 0.00 0.00 0.00 0.00 36.38 35.48 2k45 s VAL 106 CO -0.10 -0.07 1.80 -0.81 0.00 0.00 0.00 175.10 175.93 2k45 n PRO 107 N 5.34 2.57 0.26 2.72 -0.04 -1.26 -1.67 135.00 142.92 2k45 n PRO 107 Ca -0.05 0.94 0.10 0.00 -0.04 0.00 0.00 63.50 64.44 2k45 n PRO 107 Cb 0.50 -2.80 0.68 0.00 -0.04 0.00 0.00 33.50 31.83 2k45 n PRO 107 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k45 h MET 108 N 8.22 0.00 0.00 0.54 2.86 -1.54 -0.88 114.93 124.13 2k45 h MET 108 Ca -0.47 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.13 2k45 h MET 108 Cb 1.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 2k45 h MET 108 CO 0.94 0.10 -0.21 -2.95 1.06 0.00 0.00 176.91 175.85 2k45 h ASN 109 N 0.00 0.00 0.74 1.22 7.08 -1.66 -2.71 115.58 120.25 2k45 h ASN 109 Ca -0.00 0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 53.08 2k45 h ASN 109 Cb 0.21 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.43 2k45 h ASN 109 CO 0.01 0.21 -1.35 0.41 -2.08 0.00 0.00 177.43 174.63 2k45 n THR 110 N -3.63 1.07 -3.08 6.14 -1.04 -0.35 -4.74 114.28 108.65 2k45 n THR 110 Ca -0.01 -0.66 -0.42 0.00 -2.04 0.00 0.00 64.05 60.91 2k45 n THR 110 Cb 0.34 -0.65 -0.06 0.00 -1.82 0.00 0.00 70.33 68.13 2k45 n THR 110 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k45 s VAL 111 N -3.01 4.84 -0.37 12.58 0.11 -1.02 -5.02 120.40 128.50 2k45 s VAL 111 Ca -0.03 0.55 -0.26 0.00 -2.93 0.00 0.00 61.98 59.31 2k45 s VAL 111 Cb 0.09 -4.14 0.02 0.00 -1.53 0.00 0.00 36.38 30.82 2k45 s VAL 111 CO 0.81 -0.41 0.92 -0.62 -3.33 0.00 0.00 175.10 172.47 2k45 s ASP 112 N 1.86 6.66 -1.21 3.54 2.15 -1.26 -4.90 116.67 123.51 2k45 s ASP 112 Ca 0.26 0.55 -0.07 0.00 0.43 0.00 0.00 52.55 53.71 2k45 s ASP 112 Cb -0.14 -2.46 0.22 0.00 -0.30 0.00 0.00 42.92 40.24 2k45 s ASP 112 CO 0.16 -0.86 1.76 0.49 -0.17 0.00 0.00 175.17 176.56 2k45 n PHE 113 N 6.77 2.65 0.01 -5.34 3.72 -1.26 -4.72 117.46 119.30 2k45 n PHE 113 Ca 0.07 -2.70 -0.11 0.00 -0.05 0.00 0.00 57.45 54.66 2k45 n PHE 113 Cb 0.48 -1.68 -0.09 0.00 -0.94 0.00 0.00 39.48 37.26 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2k45 h GLY 114 N 6.82 -0.13 0.00 1.37 0.00 -1.97 -3.47 103.07 105.69 2k45 h GLY 114 Ca 0.34 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2k45 h GLY 114 CO 1.51 -0.05 0.00 -2.39 0.00 0.00 0.00 176.54 175.62 2k45 n HIS 115 N -4.83 0.00 -4.92 5.60 -0.00 -1.26 -5.01 115.22 104.79 2k45 n HIS 115 Ca -0.08 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.32 2k45 n HIS 115 Cb 0.29 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.13 2k45 n HIS 115 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2k45 s VAL 116 N 1.83 2.69 -0.17 0.61 0.11 -1.26 -3.75 120.40 120.46 2k45 s VAL 116 Ca 0.00 -0.79 -0.18 0.00 -2.93 0.00 0.00 61.98 58.08 2k45 s VAL 116 Cb 0.00 -2.10 -0.04 0.00 -1.53 0.00 0.00 36.38 32.71 2k45 s VAL 116 CO 0.00 0.54 0.49 -0.89 -3.33 0.00 0.00 175.10 171.91 2k45 s THR 117 N 0.36 5.14 -0.18 5.04 2.01 0.39 -4.88 115.64 123.52 2k45 s THR 117 Ca -0.14 0.92 0.00 0.00 0.31 0.00 0.00 61.69 62.79 2k45 s THR 117 Cb -0.17 -3.82 0.04 0.00 0.01 0.00 0.00 72.50 68.56 2k45 s THR 117 CO 0.07 0.23 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.53 2k45 s GLU 118 N 1.26 1.89 0.14 4.92 2.02 -1.26 0.33 118.70 128.00 2k45 s GLU 118 Ca 0.24 -0.72 -0.18 0.00 0.02 0.00 0.00 54.97 54.33 2k45 s GLU 118 Cb -0.15 -2.27 0.04 0.00 0.10 0.00 0.00 34.13 31.85 2k45 s GLU 118 CO 0.10 -0.41 0.46 -1.83 0.02 0.00 0.00 175.26 173.59 2k45 s GLU 119 N 1.47 1.13 -0.45 1.61 -1.05 -1.12 -5.04 118.70 115.25 2k45 s GLU 119 Ca -0.00 -0.64 -0.22 0.00 -0.15 0.00 0.00 54.97 53.96 2k45 s GLU 119 Cb -0.16 0.50 0.03 0.00 -0.44 0.00 0.00 34.13 34.07 2k45 s GLU 119 CO -0.08 -0.46 0.70 -1.58 0.95 0.00 0.00 175.26 174.79 2k45 s TRP 120 N -3.79 3.02 -0.03 4.83 0.23 -1.26 -2.32 118.94 119.62 2k45 s TRP 120 Ca 0.02 -0.03 0.00 0.00 -2.03 0.00 0.00 56.10 54.07 2k45 s TRP 120 Cb 0.01 -3.51 -0.03 0.00 0.03 0.00 0.00 33.47 29.97 2k45 s TRP 120 CO -0.12 -0.95 -0.00 0.50 0.96 0.00 0.00 176.95 177.34 2k45 s ARG 121 N 3.02 2.85 -0.07 4.98 6.06 -0.34 -4.95 118.95 130.50 2k45 s ARG 121 Ca 0.25 -0.54 -0.14 0.00 -2.50 0.00 0.00 55.73 52.80 2k45 s ARG 121 Cb -0.14 -2.70 -0.05 0.00 0.06 0.00 0.00 34.95 32.12 2k45 s ARG 121 CO 0.20 0.65 0.34 0.34 -2.50 0.00 0.00 175.30 174.33 2k45 s ASP 122 N -1.30 6.64 -0.34 -2.12 2.15 -1.26 0.12 116.67 120.56 2k45 s ASP 122 Ca 0.17 0.76 -0.23 0.00 0.43 0.00 0.00 52.55 53.68 2k45 s ASP 122 Cb -0.11 -2.21 0.01 0.00 -0.30 0.00 0.00 42.92 40.30 2k45 s ASP 122 CO 0.07 0.25 0.78 -0.22 -0.17 0.00 0.00 175.17 175.88 2k45 s LEU 123 N -0.53 4.12 -0.09 -1.34 1.98 -0.20 -4.75 118.68 117.86 2k45 s LEU 123 Ca 0.21 0.45 -0.05 0.00 -2.89 0.00 0.00 54.13 51.85 2k45 s LEU 123 Cb -0.15 -3.03 -0.04 0.00 0.66 0.00 0.00 46.19 43.63 2k45 s LEU 123 CO 0.09 -0.69 0.10 0.00 -1.89 0.00 0.00 176.35 173.96 2k45 s GLN 124 N 3.04 3.27 -0.35 1.98 -2.07 -0.71 -0.19 119.66 124.63 2k45 s GLN 124 Ca 0.31 -0.26 -0.29 0.00 -1.82 0.00 0.00 55.36 53.30 2k45 s GLN 124 Cb -0.14 -3.04 0.02 0.00 -1.09 0.00 0.00 33.01 28.76 2k45 s GLN 124 CO 0.15 0.74 1.16 0.45 -1.32 0.00 0.00 175.29 176.47 2k45 s SER 125 N -1.12 6.78 -0.12 12.60 0.15 -1.26 0.18 113.70 130.92 2k45 s SER 125 Ca 0.16 0.96 -0.08 0.00 0.70 0.00 0.00 55.95 57.69 2k45 s SER 125 Cb -0.12 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2k45 s SER 125 CO 0.05 -1.03 0.16 0.00 1.20 0.00 0.00 173.24 173.62 2k45 s ALA 126 N 4.08 3.85 -1.04 5.45 0.00 -1.22 -4.75 121.76 128.13 2k45 s ALA 126 Ca 0.49 -0.61 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 2k45 s ALA 126 Cb -0.12 -2.02 0.26 0.00 0.00 0.00 0.00 23.12 21.24 2k45 s ALA 126 CO 0.22 0.57 1.01 -1.21 0.00 0.00 0.00 175.76 176.35 2k45 s GLU 127 N -0.92 4.01 0.00 0.00 8.01 -1.26 -4.51 118.70 124.03 2k45 s GLU 127 Ca 0.15 -3.06 0.10 0.00 0.01 0.00 0.00 54.97 52.17 2k45 s GLU 127 Cb -0.12 -4.49 0.08 0.00 -4.31 0.00 0.00 34.13 25.29 2k45 s GLU 127 CO 0.04 -1.25 0.82 1.17 0.01 0.00 0.00 175.26 176.05