#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k45 s LYS 2 N 0.00 1.77 0.01 3.44 3.01 -1.26 -4.80 119.74 121.90 2k45 s LYS 2 Ca 0.00 -2.24 -0.05 0.00 -1.01 0.00 0.00 55.97 52.66 2k45 s LYS 2 Cb 0.00 -3.29 -0.29 0.00 -1.01 0.00 0.00 37.83 33.24 2k45 s LYS 2 CO 0.00 -1.03 0.90 -0.07 0.51 0.00 0.00 175.35 175.66 2k45 h LEU 3 N 7.10 0.47 0.00 3.17 -0.00 -1.85 -3.35 115.31 120.84 2k45 h LEU 3 Ca -0.06 -0.60 0.00 0.00 -0.00 0.00 0.00 57.88 57.22 2k45 h LEU 3 Cb 0.96 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.47 2k45 h LEU 3 CO 0.61 1.50 0.00 0.61 -0.00 0.00 0.00 178.44 181.16 2k45 n GLY 4 N 1.67 0.47 3.26 0.83 0.00 -1.26 -1.75 105.19 108.42 2k45 n GLY 4 Ca -0.16 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 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 0.94 -0.23 1.61 1.02 -1.22 -3.62 119.74 118.23 2k45 s LYS 5 Ca 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.23 2k45 s LYS 5 Cb 0.00 0.40 0.06 0.00 -0.52 0.00 0.00 37.83 37.77 2k45 s LYS 5 CO 0.00 -0.33 -0.05 -0.48 -0.92 0.00 0.00 175.35 173.57 2k45 s LEU 6 N -2.70 2.43 -0.25 3.17 2.34 0.27 -0.66 118.68 123.28 2k45 s LEU 6 Ca 0.02 -1.13 -0.25 0.00 0.06 0.00 0.00 54.13 52.84 2k45 s LEU 6 Cb 0.03 -1.13 -0.00 0.00 -0.56 0.00 0.00 46.19 44.53 2k45 s LEU 6 CO -0.10 -0.24 0.85 -1.10 -1.06 0.00 0.00 176.35 174.70 2k45 s GLN 7 N 1.44 4.16 0.24 1.48 1.11 -0.64 -1.19 119.66 126.25 2k45 s GLN 7 Ca -0.05 0.93 0.01 0.00 0.01 0.00 0.00 55.36 56.26 2k45 s GLN 7 Cb -0.19 -3.66 -0.05 0.00 -1.01 0.00 0.00 33.01 28.11 2k45 s GLN 7 CO -0.06 -0.56 0.10 1.52 0.01 0.00 0.00 175.29 176.30 2k45 s TYR 8 N 2.91 1.40 -0.11 0.91 -0.85 -0.90 -1.49 117.35 119.21 2k45 s TYR 8 Ca 0.36 -1.24 -0.05 0.00 -0.52 0.00 0.00 57.07 55.62 2k45 s TYR 8 Cb -0.15 -0.78 0.05 0.00 0.38 0.00 0.00 41.96 41.46 2k45 s TYR 8 CO 0.08 -0.43 0.24 -1.12 -1.52 0.00 0.00 175.55 172.80 2k45 s SER 9 N -3.26 0.09 -0.14 -0.18 0.01 -1.26 -1.71 113.70 107.25 2k45 s SER 9 Ca 0.37 0.53 -0.02 0.00 1.31 0.00 0.00 55.95 58.14 2k45 s SER 9 Cb 0.08 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.79 2k45 s SER 9 CO 0.13 -0.20 -0.07 -0.76 0.41 0.00 0.00 173.24 172.75 2k45 s LEU 10 N 1.83 3.09 0.38 2.44 2.01 0.26 -2.77 118.68 125.92 2k45 s LEU 10 Ca -0.04 -0.18 0.03 0.00 0.01 0.00 0.00 54.13 53.96 2k45 s LEU 10 Cb -0.11 -1.73 -0.04 0.00 0.01 0.00 0.00 46.19 44.32 2k45 s LEU 10 CO -0.08 0.18 0.10 -0.62 1.01 0.00 0.00 176.35 176.94 2k45 s ASP 11 N 0.26 2.63 -0.16 2.29 2.15 0.23 0.56 116.67 124.63 2k45 s ASP 11 Ca -0.05 -1.55 0.00 0.00 0.43 0.00 0.00 52.55 51.38 2k45 s ASP 11 Cb -0.14 0.28 0.03 0.00 -0.30 0.00 0.00 42.92 42.78 2k45 s ASP 11 CO 0.04 -0.80 -0.11 -0.47 -0.17 0.00 0.00 175.17 173.65 2k45 s TYR 12 N -3.25 2.12 -0.42 -5.34 5.04 -1.24 0.12 117.35 114.38 2k45 s TYR 12 Ca 0.28 -1.27 -0.19 0.00 -2.44 0.00 0.00 57.07 53.46 2k45 s TYR 12 Cb 0.05 -1.54 0.02 0.00 0.35 0.00 0.00 41.96 40.84 2k45 s TYR 12 CO 0.14 -0.67 0.53 0.34 -1.34 0.00 0.00 175.55 174.55 2k45 s ASP 13 N 1.50 6.26 0.08 4.32 -1.08 -0.76 -4.97 116.67 122.02 2k45 s ASP 13 Ca 0.03 -0.46 0.18 0.00 -0.52 0.00 0.00 52.55 51.77 2k45 s ASP 13 Cb -0.14 -2.27 -0.12 0.00 -1.46 0.00 0.00 42.92 38.93 2k45 s ASP 13 CO -0.09 -0.65 0.84 2.22 0.52 0.00 0.00 175.17 178.00 2k45 n PHE 14 N 5.89 0.95 0.27 -5.34 1.16 -1.26 -1.30 117.46 117.82 2k45 n PHE 14 Ca -0.05 0.31 0.10 0.00 -1.87 0.00 0.00 57.45 55.94 2k45 n PHE 14 Cb 0.48 -1.06 0.26 0.00 -1.61 0.00 0.00 39.48 37.55 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 -2.84 2.32 -0.00 3.97 0.00 -1.26 -1.96 117.38 117.61 2k45 n GLN 15 Ca -0.08 -2.04 0.06 0.00 0.00 0.00 0.00 57.00 54.94 2k45 n GLN 15 Cb 0.79 -1.46 0.05 0.00 0.00 0.00 0.00 30.24 29.63 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 1.17 2.02 -3.59 2.61 0.23 -1.24 -5.02 115.26 111.45 2k45 n ASN 16 Ca 0.19 -1.51 -0.25 0.00 -0.53 0.00 0.00 54.58 52.48 2k45 n ASN 16 Cb 0.50 -0.00 0.05 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 0.68 -4.43 -4.13 0.53 3.02 -0.75 -4.88 115.26 105.30 2k45 n ASN 17 Ca 0.07 -0.89 -0.26 0.00 -0.03 0.00 0.00 54.58 53.47 2k45 n ASN 17 Cb 0.31 -4.00 -0.16 0.00 -0.61 0.00 0.00 39.78 35.32 2k45 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k45 s GLN 18 N -5.60 1.70 0.27 3.52 -2.07 -0.42 -1.84 119.66 115.22 2k45 s GLN 18 Ca 0.34 -0.59 -0.24 0.00 -1.82 0.00 0.00 55.36 53.04 2k45 s GLN 18 Cb -0.09 -1.50 -0.09 0.00 -1.09 0.00 0.00 33.01 30.24 2k45 s GLN 18 CO 0.82 0.25 0.86 -0.51 -1.32 0.00 0.00 175.29 175.39 2k45 s LEU 19 N -0.00 4.37 -0.10 2.60 1.43 0.11 -1.82 118.68 125.27 2k45 s LEU 19 Ca -0.03 1.69 0.01 0.00 -1.03 0.00 0.00 54.13 54.78 2k45 s LEU 19 Cb -0.11 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.32 2k45 s LEU 19 CO 0.02 -0.00 -0.13 -0.22 0.23 0.00 0.00 176.35 176.25 2k45 s LEU 20 N -1.93 1.58 -0.59 1.79 2.96 0.33 -0.52 118.68 122.31 2k45 s LEU 20 Ca 0.46 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.07 2k45 s LEU 20 Cb -0.19 -0.96 0.24 0.00 0.50 0.00 0.00 46.19 45.78 2k45 s LEU 20 CO 0.23 -0.01 0.67 0.52 -1.32 0.00 0.00 176.35 176.44 2k45 n VAL 21 N 4.26 1.60 -3.29 1.68 0.31 -1.07 0.74 118.33 122.57 2k45 n VAL 21 Ca -0.19 -4.90 -0.35 0.00 -0.01 0.00 0.00 64.34 58.89 2k45 n VAL 21 Cb 0.51 -2.07 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 2k45 n VAL 21 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k45 n GLY 22 N 1.13 4.86 0.00 2.92 0.00 -1.11 0.33 105.19 113.33 2k45 n GLY 22 Ca 0.27 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.59 2k45 n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k45 n ILE 23 N 1.26 0.00 0.00 -0.61 2.08 -1.26 -4.65 119.36 116.18 2k45 n ILE 23 Ca 0.27 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.58 2k45 n ILE 23 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.26 2k45 n ILE 23 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 2k45 n ILE 24 N 0.00 0.00 -3.53 1.39 -5.35 -0.56 -2.78 119.36 108.54 2k45 n ILE 24 Ca 0.00 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 2k45 n ILE 24 Cb 0.00 -0.82 -0.05 0.00 -1.74 0.00 0.00 39.64 37.04 2k45 n ILE 24 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k45 s GLN 25 N 0.00 1.10 0.11 6.28 1.03 -1.24 0.75 119.66 127.69 2k45 s GLN 25 Ca 0.00 -0.22 0.03 0.00 0.04 0.00 0.00 55.36 55.22 2k45 s GLN 25 Cb 0.00 0.51 -0.04 0.00 0.03 0.00 0.00 33.01 33.51 2k45 s GLN 25 CO 0.00 -0.41 0.13 0.00 -2.54 0.00 0.00 175.29 172.46 2k45 s ALA 26 N -2.59 3.64 -0.08 2.60 0.00 -1.04 -1.62 121.76 122.68 2k45 s ALA 26 Ca -0.04 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2k45 s ALA 26 Cb -0.01 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.65 2k45 s ALA 26 CO -0.03 0.66 -0.12 0.00 0.00 0.00 0.00 175.76 176.28 2k45 s ALA 27 N -1.54 1.32 -1.17 0.00 0.00 0.17 -1.05 121.76 119.49 2k45 s ALA 27 Ca 0.31 -0.47 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 2k45 s ALA 27 Cb -0.11 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 2k45 s ALA 27 CO 0.24 -0.00 0.97 0.39 0.00 0.00 0.00 175.76 177.36 2k45 n GLU 28 N 4.06 -6.21 -2.47 0.00 1.02 -0.06 -3.44 120.64 113.54 2k45 n GLU 28 Ca -0.21 0.83 -0.28 0.00 -0.02 0.00 0.00 57.16 57.48 2k45 n GLU 28 Cb 0.51 -5.80 -0.00 0.00 -0.02 0.00 0.00 31.44 26.14 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 -6.21 3.55 0.44 -4.62 1.43 0.76 -4.27 118.68 109.76 2k45 s LEU 29 Ca 0.03 1.05 -0.25 0.00 -1.03 0.00 0.00 54.13 53.93 2k45 s LEU 29 Cb -0.00 -4.03 -0.09 0.00 0.03 0.00 0.00 46.19 42.10 2k45 s LEU 29 CO 0.72 -0.64 1.34 -0.81 0.23 0.00 0.00 176.35 177.19 2k45 n PRO 30 N -2.32 2.06 -2.76 1.29 -0.04 -1.26 -4.77 135.00 127.20 2k45 n PRO 30 Ca 0.02 0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 63.79 2k45 n PRO 30 Cb 0.55 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 2k45 n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k45 s ALA 31 N -1.20 3.67 -0.29 0.55 0.00 -1.26 -4.57 121.76 118.65 2k45 s ALA 31 Ca 0.61 0.03 0.12 0.00 0.00 0.00 0.00 51.96 52.72 2k45 s ALA 31 Cb -0.48 -3.43 0.47 0.00 0.00 0.00 0.00 23.12 19.68 2k45 s ALA 31 CO 0.58 -1.01 1.15 1.28 0.00 0.00 0.00 175.76 177.76 2k45 n LEU 32 N 6.20 3.80 -3.91 0.00 4.77 -0.73 -4.78 117.00 122.34 2k45 n LEU 32 Ca 0.09 -4.22 -0.09 0.00 -0.03 0.00 0.00 56.01 51.76 2k45 n LEU 32 Cb 0.47 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 2k45 n LEU 32 CO 0.50 1.77 -0.18 -0.62 -1.33 0.00 0.00 177.39 177.54 2k45 s ASP 33 N -3.65 0.18 -1.43 -1.43 2.15 -0.26 -3.36 116.67 108.88 2k45 s ASP 33 Ca 0.43 -0.62 -0.12 0.00 0.43 0.00 0.00 52.55 52.67 2k45 s ASP 33 Cb 0.38 0.27 0.06 0.00 -0.30 0.00 0.00 42.92 43.33 2k45 s ASP 33 CO 0.00 -0.61 2.24 0.80 -0.17 0.00 0.00 175.17 177.44 2k45 n MET 34 N 0.36 3.23 -0.17 4.34 0.00 -1.26 -3.24 117.12 120.38 2k45 n MET 34 Ca -0.17 -2.82 -0.00 0.00 -0.00 0.00 0.00 57.70 54.71 2k45 n MET 34 Cb 0.60 -3.11 -0.00 0.00 0.00 0.00 0.00 33.22 30.71 2k45 n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k45 n GLY 35 N 3.60 0.28 3.63 -5.12 0.00 -1.26 -4.95 105.19 101.37 2k45 n GLY 35 Ca 0.53 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.51 3.31 -0.02 0.00 -1.20 -4.97 105.19 101.80 2k45 n GLY 36 Ca -0.00 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 2k45 n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k45 n THR 37 N -4.60 0.00 -4.46 2.61 -2.24 -1.25 -4.82 114.28 99.52 2k45 n THR 37 Ca 0.00 -2.37 -0.22 0.00 -2.27 0.00 0.00 64.05 59.19 2k45 n THR 37 Cb 0.55 1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 69.90 2k45 n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k45 s SER 38 N -3.35 2.83 -0.84 3.42 1.04 -1.25 -1.10 113.70 114.44 2k45 s SER 38 Ca 0.39 -1.27 0.01 0.00 0.48 0.00 0.00 55.95 55.57 2k45 s SER 38 Cb 0.01 -0.18 0.28 0.00 0.10 0.00 0.00 66.02 66.24 2k45 s SER 38 CO 0.28 -0.43 1.11 0.47 0.98 0.00 0.00 173.24 175.65 2k45 n ASP 39 N -0.67 5.07 -4.75 7.02 8.00 -1.25 -1.50 116.55 128.47 2k45 n ASP 39 Ca -0.04 -3.45 -0.38 0.00 0.71 0.00 0.00 54.79 51.62 2k45 n ASP 39 Cb 0.65 -0.94 0.03 0.00 -0.02 0.00 0.00 41.12 40.84 2k45 n ASP 39 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2k45 s PRO 40 N -2.72 3.26 -0.21 -0.24 0.04 -1.14 -2.62 135.00 131.37 2k45 s PRO 40 Ca 0.36 2.17 -0.19 0.00 0.04 0.00 0.00 61.00 63.39 2k45 s PRO 40 Cb 0.11 -2.30 0.06 0.00 0.04 0.00 0.00 34.50 32.41 2k45 s PRO 40 CO 0.03 -1.07 0.56 1.52 0.04 0.00 0.00 177.00 178.08 2k45 s TYR 41 N -1.33 -0.65 -0.28 0.56 -0.85 0.49 -0.82 117.35 114.47 2k45 s TYR 41 Ca 0.70 1.53 -0.22 0.00 -0.52 0.00 0.00 57.07 58.56 2k45 s TYR 41 Cb -0.39 0.24 -0.01 0.00 0.38 0.00 0.00 41.96 42.18 2k45 s TYR 41 CO 0.46 -0.32 0.69 0.14 -1.52 0.00 0.00 175.55 175.01 2k45 s VAL 42 N 0.46 4.91 -0.54 -3.49 -7.23 -1.26 0.13 120.40 113.38 2k45 s VAL 42 Ca -0.01 1.12 -0.25 0.00 -1.81 0.00 0.00 61.98 61.03 2k45 s VAL 42 Cb -0.04 -4.02 0.04 0.00 0.56 0.00 0.00 36.38 32.91 2k45 s VAL 42 CO -0.02 -0.09 0.96 -0.54 -0.31 0.00 0.00 175.10 175.10 2k45 s LYS 43 N 2.68 3.37 -0.36 4.82 1.02 0.33 -3.75 119.74 127.85 2k45 s LYS 43 Ca 0.28 -0.16 -0.12 0.00 0.02 0.00 0.00 55.97 56.00 2k45 s LYS 43 Cb -0.15 -4.03 0.01 0.00 -0.52 0.00 0.00 37.83 33.14 2k45 s LYS 43 CO 0.10 -1.47 0.22 0.14 -0.92 0.00 0.00 175.35 173.42 2k45 s VAL 44 N 4.01 4.81 0.28 3.17 -7.23 -1.26 -0.52 120.40 123.67 2k45 s VAL 44 Ca 0.32 -0.63 -0.13 0.00 -1.81 0.00 0.00 61.98 59.73 2k45 s VAL 44 Cb -0.12 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.23 2k45 s VAL 44 CO 0.21 -0.15 0.55 0.72 -0.31 0.00 0.00 175.10 176.11 2k45 s PHE 45 N 1.62 0.35 0.18 2.82 -0.71 -1.13 -2.59 117.98 118.51 2k45 s PHE 45 Ca 0.04 -0.74 0.08 0.00 -1.04 0.00 0.00 56.93 55.26 2k45 s PHE 45 Cb -0.18 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.88 2k45 s PHE 45 CO 0.08 -1.12 -0.15 -1.17 -1.34 0.00 0.00 175.22 171.52 2k45 s LEU 46 N -3.04 2.50 0.16 -1.99 2.96 -1.26 -2.31 118.68 115.70 2k45 s LEU 46 Ca 0.21 -0.95 -0.07 0.00 -0.22 0.00 0.00 54.13 53.11 2k45 s LEU 46 Cb -0.02 -0.70 -0.06 0.00 0.50 0.00 0.00 46.19 45.91 2k45 s LEU 46 CO 0.11 -0.13 0.43 -0.76 -1.32 0.00 0.00 176.35 174.67 2k45 s LEU 47 N -3.02 4.25 0.00 -0.68 1.43 0.01 -2.71 118.68 117.96 2k45 s LEU 47 Ca 0.19 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 2k45 s LEU 47 Cb -0.03 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2k45 s LEU 47 CO 0.06 0.03 0.00 -2.65 0.23 0.00 0.00 176.35 174.02 2k45 n PRO 48 N 0.12 0.00 -0.00 1.29 -0.02 -1.26 -3.98 135.00 131.15 2k45 n PRO 48 Ca -0.02 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2k45 n PRO 48 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.00 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 -5.66 2.55 3.58 -1.92 -3.49 116.42 111.47 2k45 h ASP 49 Ca 0.00 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.12 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 -0.77 1.17 -2.88 0.00 0.00 179.24 176.79 2k45 n LYS 50 N -2.32 -6.49 -0.68 0.28 0.00 -1.10 -4.87 118.16 102.97 2k45 n LYS 50 Ca -0.00 0.84 -0.13 0.00 0.00 0.00 0.00 58.31 59.02 2k45 n LYS 50 Cb 0.01 -5.85 0.08 0.00 0.00 0.00 0.00 35.03 29.27 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 -4.12 1.67 -3.71 1.64 5.02 -1.26 -4.81 118.16 112.59 2k45 n LYS 51 Ca -0.29 -1.55 -0.30 0.00 -2.02 0.00 0.00 58.31 54.16 2k45 n LYS 51 Cb 0.67 -1.61 -0.14 0.00 -0.02 0.00 0.00 35.03 33.93 2k45 n LYS 51 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k45 s LYS 52 N -1.72 1.01 -0.41 1.97 3.01 -1.26 -4.39 119.74 117.94 2k45 s LYS 52 Ca 0.30 -1.58 -0.27 0.00 -1.01 0.00 0.00 55.97 53.41 2k45 s LYS 52 Cb 0.25 -2.15 0.02 0.00 -1.01 0.00 0.00 37.83 34.94 2k45 s LYS 52 CO 0.04 -1.09 0.98 -1.59 0.51 0.00 0.00 175.35 174.21 2k45 s LYS 53 N 0.93 3.76 0.21 1.68 -2.85 -1.26 -4.25 119.74 117.96 2k45 s LYS 53 Ca 0.14 0.52 -0.03 0.00 -1.00 0.00 0.00 55.97 55.60 2k45 s LYS 53 Cb -0.21 -3.85 -0.05 0.00 -2.06 0.00 0.00 37.83 31.66 2k45 s LYS 53 CO -0.10 -1.10 0.43 -0.59 0.10 0.00 0.00 175.35 174.09 2k45 s PHE 54 N 3.75 3.48 -0.30 1.78 -0.71 -1.07 -4.87 117.98 120.05 2k45 s PHE 54 Ca 0.40 0.47 0.01 0.00 -1.04 0.00 0.00 56.93 56.78 2k45 s PHE 54 Cb -0.11 -1.95 0.19 0.00 -1.21 0.00 0.00 43.02 39.95 2k45 s PHE 54 CO 0.23 0.34 0.62 -2.00 -1.34 0.00 0.00 175.22 173.07 2k45 s GLU 55 N -3.21 0.54 0.77 1.99 2.12 -1.26 -4.87 118.70 114.79 2k45 s GLU 55 Ca 0.40 0.78 -0.11 0.00 0.36 0.00 0.00 54.97 56.41 2k45 s GLU 55 Cb -0.11 0.41 0.06 0.00 0.26 0.00 0.00 34.13 34.75 2k45 s GLU 55 CO 0.28 -0.77 1.09 0.95 -0.54 0.00 0.00 175.26 176.26 2k45 s THR 56 N 2.85 3.35 0.23 -1.70 -4.23 -1.25 -5.02 115.64 109.88 2k45 s THR 56 Ca 0.16 0.44 -0.30 0.00 -1.18 0.00 0.00 61.69 60.81 2k45 s THR 56 Cb -0.13 -2.96 -0.09 0.00 1.34 0.00 0.00 72.50 70.66 2k45 s THR 56 CO -0.23 -0.57 1.32 -0.75 -0.54 0.00 0.00 174.62 173.85 2k45 s LYS 57 N -4.93 4.38 -0.01 3.99 2.47 -1.26 -4.92 119.74 119.46 2k45 s LYS 57 Ca 0.61 2.11 -0.30 0.00 -1.56 0.00 0.00 55.97 56.83 2k45 s LYS 57 Cb -0.17 -3.16 -0.03 0.00 -1.46 0.00 0.00 37.83 33.01 2k45 s LYS 57 CO 0.56 -0.25 1.06 0.08 0.16 0.00 0.00 175.35 176.96 2k45 s VAL 58 N -0.17 4.61 -0.86 4.02 1.01 -1.26 -4.73 120.40 123.01 2k45 s VAL 58 Ca 0.55 1.87 -0.11 0.00 0.00 0.00 0.00 61.98 64.30 2k45 s VAL 58 Cb -0.38 -4.20 0.22 0.00 0.00 0.00 0.00 36.38 32.02 2k45 s VAL 58 CO 0.41 0.11 0.78 -1.00 0.00 0.00 0.00 175.10 175.41 2k45 s HIS 59 N 1.30 3.81 -0.05 5.22 0.09 0.00 -4.99 115.29 120.68 2k45 s HIS 59 Ca 0.53 -2.29 -0.30 0.00 -0.00 0.00 0.00 55.06 53.00 2k45 s HIS 59 Cb -0.23 -3.70 -0.04 0.00 -0.00 0.00 0.00 32.58 28.62 2k45 s HIS 59 CO 0.26 -0.95 1.24 1.03 -0.00 0.00 0.00 174.74 176.32 2k45 s ARG 60 N -0.23 4.33 -0.92 1.40 1.81 -1.26 -2.89 118.95 121.19 2k45 s ARG 60 Ca 0.21 1.73 -0.01 0.00 -1.72 0.00 0.00 55.73 55.93 2k45 s ARG 60 Cb -0.11 -3.57 -0.01 0.00 -0.45 0.00 0.00 34.95 30.81 2k45 s ARG 60 CO -0.08 -0.48 0.77 1.63 -0.68 0.00 0.00 175.30 176.46 2k45 n LYS 61 N 5.29 -4.63 -3.68 3.54 4.76 -0.96 -4.98 118.16 117.50 2k45 n LYS 61 Ca 0.11 0.67 -0.10 0.00 -2.87 0.00 0.00 58.31 56.13 2k45 n LYS 61 Cb 0.46 -5.10 -0.10 0.00 -1.84 0.00 0.00 35.03 28.44 2k45 n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k45 s THR 62 N -3.29 -0.25 -1.41 -0.18 -1.32 -0.56 -4.87 115.64 103.77 2k45 s THR 62 Ca 0.06 0.12 0.24 0.00 -1.21 0.00 0.00 61.69 60.91 2k45 s THR 62 Cb -0.01 -0.63 0.06 0.00 -1.51 0.00 0.00 72.50 70.41 2k45 s THR 62 CO 0.57 0.05 1.34 0.18 -2.21 0.00 0.00 174.62 174.55 2k45 n LEU 63 N 4.67 0.98 -3.31 9.08 4.77 -1.26 -3.89 117.00 128.04 2k45 n LEU 63 Ca -0.18 -0.28 -0.26 0.00 -0.03 0.00 0.00 56.01 55.26 2k45 n LEU 63 Cb 0.53 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 2k45 n LEU 63 CO 0.05 0.21 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.10 2k45 n ASN 64 N -0.99 2.88 -4.08 -1.43 4.05 -1.26 -0.17 115.26 114.26 2k45 n ASN 64 Ca 0.08 -3.27 -0.19 0.00 0.45 0.00 0.00 54.58 51.65 2k45 n ASN 64 Cb 0.36 -0.65 -0.14 0.00 1.23 0.00 0.00 39.78 40.58 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 -2.26 0.84 -0.03 1.20 0.04 -0.21 -4.78 135.00 129.79 2k45 s PRO 65 Ca 0.40 -0.52 -0.03 0.00 0.04 0.00 0.00 61.00 60.89 2k45 s PRO 65 Cb 0.17 -0.81 0.01 0.00 0.04 0.00 0.00 34.50 33.92 2k45 s PRO 65 CO -0.05 0.21 0.09 0.08 0.04 0.00 0.00 177.00 177.37 2k45 s VAL 66 N -0.52 -0.01 0.27 -0.36 1.01 -1.23 -2.50 120.40 117.07 2k45 s VAL 66 Ca 0.02 0.02 0.32 0.00 0.00 0.00 0.00 61.98 62.34 2k45 s VAL 66 Cb -0.06 -0.13 0.35 0.00 0.00 0.00 0.00 36.38 36.54 2k45 s VAL 66 CO 0.00 0.01 2.04 0.15 0.00 0.00 0.00 175.10 177.30 2k45 h PHE 67 N 6.14 0.00 -4.00 5.22 3.57 -1.87 -3.31 116.94 122.68 2k45 h PHE 67 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 2k45 h PHE 67 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 2k45 h PHE 67 CO 0.41 0.07 -0.12 0.09 -2.23 0.00 0.00 178.31 176.53 2k45 n ASN 68 N -3.27 -4.54 -3.70 0.41 5.03 0.23 -4.99 115.26 104.44 2k45 n ASN 68 Ca -0.01 0.11 -0.12 0.00 0.87 0.00 0.00 54.58 55.43 2k45 n ASN 68 Cb 0.28 -2.88 -0.13 0.00 -1.02 0.00 0.00 39.78 36.03 2k45 n ASN 68 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2k45 s GLU 69 N -2.28 0.21 0.02 3.52 2.02 -1.12 -4.98 118.70 116.08 2k45 s GLU 69 Ca 0.06 0.67 -0.30 0.00 0.02 0.00 0.00 54.97 55.41 2k45 s GLU 69 Cb -0.02 -0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.12 2k45 s GLU 69 CO 0.33 -0.22 1.12 1.14 0.02 0.00 0.00 175.26 177.65 2k45 s GLN 70 N 1.80 4.47 -0.73 1.61 1.03 -1.23 -4.23 119.66 122.38 2k45 s GLN 70 Ca -0.05 1.62 -0.22 0.00 0.04 0.00 0.00 55.36 56.75 2k45 s GLN 70 Cb -0.11 -3.42 0.08 0.00 0.03 0.00 0.00 33.01 29.59 2k45 s GLN 70 CO -0.09 -0.21 1.03 -0.06 -2.54 0.00 0.00 175.29 173.42 2k45 s PHE 71 N 1.22 2.72 -0.09 9.60 0.40 0.15 -4.79 117.98 127.19 2k45 s PHE 71 Ca 0.56 -0.68 -0.29 0.00 -0.60 0.00 0.00 56.93 55.91 2k45 s PHE 71 Cb -0.26 -4.33 -0.07 0.00 0.51 0.00 0.00 43.02 38.87 2k45 s PHE 71 CO 0.27 -1.66 2.09 2.41 0.70 0.00 0.00 175.22 179.03 2k45 n THR 72 N 5.92 0.56 -3.65 0.64 -1.04 -1.26 -2.59 114.28 112.86 2k45 n THR 72 Ca 0.03 -0.29 -0.37 0.00 -2.04 0.00 0.00 64.05 61.38 2k45 n THR 72 Cb 0.46 -2.40 -0.08 0.00 -1.82 0.00 0.00 70.33 66.50 2k45 n THR 72 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2k45 s PHE 73 N 6.26 3.62 -1.40 -1.42 2.19 0.32 -4.77 117.98 122.79 2k45 s PHE 73 Ca 0.95 -2.78 -0.11 0.00 0.33 0.00 0.00 56.93 55.32 2k45 s PHE 73 Cb -0.41 -3.27 0.08 0.00 -1.31 0.00 0.00 43.02 38.11 2k45 s PHE 73 CO 0.40 -0.81 2.18 1.63 1.83 0.00 0.00 175.22 180.45 2k45 n LYS 74 N 3.06 3.38 -3.75 10.12 5.02 -1.26 0.08 118.16 134.82 2k45 n LYS 74 Ca 0.14 -2.99 -0.14 0.00 -2.02 0.00 0.00 58.31 53.30 2k45 n LYS 74 Cb 0.38 -3.04 -0.15 0.00 -0.02 0.00 0.00 35.03 32.20 2k45 n LYS 74 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k45 s VAL 75 N 1.64 -0.06 0.60 -0.18 0.11 -1.19 -4.70 120.40 116.63 2k45 s VAL 75 Ca 0.47 0.20 -0.19 0.00 -2.93 0.00 0.00 61.98 59.53 2k45 s VAL 75 Cb 0.13 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.74 2k45 s VAL 75 CO -0.05 0.08 1.06 -2.65 -3.33 0.00 0.00 175.10 170.21 2k45 n PRO 76 N 4.24 1.00 -0.05 1.54 -0.02 -0.77 -3.74 135.00 137.21 2k45 n PRO 76 Ca -0.26 0.39 -0.07 0.00 -2.02 0.00 0.00 63.50 61.54 2k45 n PRO 76 Cb 0.51 -2.27 0.12 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.58 0.76 -0.09 6.00 -0.00 -1.94 0.85 116.97 123.13 2k45 h TYR 77 Ca -0.49 -0.18 0.01 0.00 -0.00 0.00 0.00 58.73 58.07 2k45 h TYR 77 Cb 1.35 -0.18 -0.00 0.00 -0.00 0.00 0.00 36.73 37.90 2k45 h TYR 77 CO 0.39 0.86 0.06 0.77 -0.00 0.00 0.00 178.16 180.24 2k45 h SER 78 N 0.57 0.09 1.33 0.10 0.02 -2.00 -1.51 113.55 112.15 2k45 h SER 78 Ca 0.07 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2k45 h SER 78 Cb 0.76 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 2k45 h SER 78 CO 0.06 0.06 -0.67 -0.08 -1.14 0.00 0.00 176.83 175.06 2k45 h GLU 79 N 0.10 0.00 -0.39 3.45 4.81 -1.07 -3.31 114.58 118.18 2k45 h GLU 79 Ca 0.04 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2k45 h GLU 79 Cb 0.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2k45 h GLU 79 CO -0.01 0.03 0.26 1.25 -0.73 0.00 0.00 179.01 179.81 2k45 h LEU 80 N 0.00 0.38 -0.97 1.64 6.46 0.17 -3.09 115.31 119.90 2k45 h LEU 80 Ca -0.01 -0.01 0.26 0.00 -0.12 0.00 0.00 57.88 58.01 2k45 h LEU 80 Cb 1.04 -0.09 -0.18 0.00 -0.73 0.00 0.00 40.66 40.70 2k45 h LEU 80 CO 0.00 0.26 0.00 0.61 -0.62 0.00 0.00 178.44 178.70 2k45 n GLY 81 N -1.50 -1.34 0.24 3.75 0.00 -1.23 0.52 105.19 105.64 2k45 n GLY 81 Ca 0.04 0.96 -0.13 0.00 0.00 0.00 0.00 46.02 46.88 2k45 n GLY 81 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k45 h GLY 82 N 0.00 0.88 -5.81 -0.02 0.00 -1.84 -3.44 103.07 92.85 2k45 h GLY 82 Ca 0.58 -1.02 -0.61 0.00 0.00 0.00 0.00 47.33 46.28 2k45 h GLY 82 CO -0.92 0.92 -0.37 0.54 0.00 0.00 0.00 176.54 176.71 2k45 s LYS 83 N -4.10 4.05 -0.18 4.80 3.01 0.18 -4.99 119.74 122.51 2k45 s LYS 83 Ca -0.10 0.04 -0.04 0.00 -1.01 0.00 0.00 55.97 54.86 2k45 s LYS 83 Cb 0.10 -3.36 -0.02 0.00 -1.01 0.00 0.00 37.83 33.54 2k45 s LYS 83 CO 0.88 0.41 -0.02 0.95 0.51 0.00 0.00 175.35 178.08 2k45 s THR 84 N -0.02 3.88 -0.03 2.17 -4.23 -1.26 -3.36 115.64 112.79 2k45 s THR 84 Ca 0.16 -0.35 -0.17 0.00 -1.18 0.00 0.00 61.69 60.15 2k45 s THR 84 Cb -0.13 -2.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 2k45 s THR 84 CO 0.04 0.45 0.47 -0.22 -0.54 0.00 0.00 174.62 174.82 2k45 s LEU 85 N 0.78 4.41 0.01 4.79 2.96 -0.99 -0.80 118.68 129.82 2k45 s LEU 85 Ca -0.01 0.96 0.06 0.00 -0.22 0.00 0.00 54.13 54.93 2k45 s LEU 85 Cb -0.14 -2.69 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 2k45 s LEU 85 CO 0.02 0.18 -0.18 0.68 -1.32 0.00 0.00 176.35 175.73 2k45 s VAL 86 N -0.39 1.47 -0.08 1.68 -7.23 -0.98 -0.10 120.40 114.77 2k45 s VAL 86 Ca 0.26 -0.92 0.04 0.00 -1.81 0.00 0.00 61.98 59.55 2k45 s VAL 86 Cb -0.17 -1.25 -0.00 0.00 0.56 0.00 0.00 36.38 35.53 2k45 s VAL 86 CO 0.13 0.31 -0.21 -0.04 -0.31 0.00 0.00 175.10 174.98 2k45 s MET 87 N -0.71 2.51 -0.15 4.82 -1.94 -0.01 -2.84 119.30 120.99 2k45 s MET 87 Ca 0.07 -0.76 -0.03 0.00 -1.71 0.00 0.00 55.69 53.25 2k45 s MET 87 Cb -0.08 -2.00 0.05 0.00 2.01 0.00 0.00 34.83 34.82 2k45 s MET 87 CO 0.00 0.21 0.05 0.00 -0.01 0.00 0.00 175.02 175.27 2k45 s ALA 88 N 0.24 0.70 -0.36 3.03 0.00 0.33 -0.12 121.76 125.58 2k45 s ALA 88 Ca -0.13 -0.39 -0.28 0.00 0.00 0.00 0.00 51.96 51.16 2k45 s ALA 88 Cb -0.16 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 21.98 2k45 s ALA 88 CO 0.06 -0.98 1.04 0.08 0.00 0.00 0.00 175.76 175.97 2k45 s VAL 89 N 1.99 4.48 -0.15 0.00 1.01 0.17 0.12 120.40 128.03 2k45 s VAL 89 Ca 0.02 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 2k45 s VAL 89 Cb -0.15 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 2k45 s VAL 89 CO -0.07 -0.58 -0.05 -0.47 0.00 0.00 0.00 175.10 173.93 2k45 s TYR 90 N 3.73 3.00 -0.30 5.22 6.14 0.35 -2.77 117.35 132.72 2k45 s TYR 90 Ca 0.44 -0.32 -0.17 0.00 0.64 0.00 0.00 57.07 57.65 2k45 s TYR 90 Cb -0.11 -1.93 -0.02 0.00 0.42 0.00 0.00 41.96 40.32 2k45 s TYR 90 CO 0.19 -0.04 0.47 0.34 0.64 0.00 0.00 175.55 177.16 2k45 s ASP 91 N 0.30 6.34 -0.96 4.32 -1.08 -1.26 -0.38 116.67 123.95 2k45 s ASP 91 Ca -0.04 0.25 -0.21 0.00 -0.52 0.00 0.00 52.55 52.03 2k45 s ASP 91 Cb -0.14 -2.26 0.10 0.00 -1.46 0.00 0.00 42.92 39.16 2k45 s ASP 91 CO 0.03 -0.33 1.26 0.12 0.52 0.00 0.00 175.17 176.77 2k45 s PHE 92 N 2.27 2.86 -0.79 -5.34 5.36 -1.08 -4.46 117.98 116.80 2k45 s PHE 92 Ca 0.18 -1.13 0.10 0.00 -0.96 0.00 0.00 56.93 55.13 2k45 s PHE 92 Cb -0.16 -4.46 -0.03 0.00 -0.34 0.00 0.00 43.02 38.03 2k45 s PHE 92 CO 0.11 -1.68 0.57 -0.40 -1.46 0.00 0.00 175.22 172.36 2k45 n ASP 93 N 7.57 0.99 0.00 6.13 5.68 -1.26 -4.88 116.55 130.78 2k45 n ASP 93 Ca 0.27 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 2k45 n ASP 93 Cb 0.50 0.63 0.00 0.00 -1.14 0.00 0.00 41.12 41.11 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k45 n ARG 94 N -0.55 0.00 0.00 0.11 1.74 -1.26 -2.91 116.66 113.79 2k45 n ARG 94 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2k45 n ARG 94 Cb 0.20 -0.58 0.00 0.00 -1.02 0.00 0.00 32.46 31.06 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 0.00 0.00 0.00 -1.55 7.35 -1.26 -5.09 117.46 116.91 2k45 n PHE 95 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2k45 n PHE 95 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 -1.11 0.00 -4.59 -2.13 3.41 -1.15 -4.94 113.62 103.11 2k45 n SER 96 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2k45 n SER 96 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2k45 n SER 96 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k45 n LYS 97 N 0.00 1.25 -1.67 4.33 4.76 -1.26 -4.65 118.16 120.92 2k45 n LYS 97 Ca 0.00 0.45 -0.43 0.00 -2.87 0.00 0.00 58.31 55.46 2k45 n LYS 97 Cb 0.00 -1.98 -0.01 0.00 -1.84 0.00 0.00 35.03 31.20 2k45 n LYS 97 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2k45 n HIS 98 N -0.54 2.03 -0.91 2.13 -0.00 -1.21 -4.49 115.22 112.23 2k45 n HIS 98 Ca 0.10 0.58 -0.32 0.00 0.46 0.00 0.00 57.72 58.54 2k45 n HIS 98 Cb 0.39 -2.37 0.15 0.00 -0.12 0.00 0.00 29.99 28.03 2k45 n HIS 98 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 2k45 s ASP 99 N -0.39 3.28 0.68 0.26 -4.77 -1.26 -4.65 116.67 109.83 2k45 s ASP 99 Ca 0.57 2.26 -0.17 0.00 -3.30 0.00 0.00 52.55 51.90 2k45 s ASP 99 Cb -0.59 -2.58 -0.08 0.00 -1.09 0.00 0.00 42.92 38.59 2k45 s ASP 99 CO 0.61 -2.87 0.29 2.30 0.70 0.00 0.00 175.17 176.21 2k45 n ILE 100 N -3.78 1.38 -0.03 2.11 -5.35 -1.26 -4.76 119.36 107.66 2k45 n ILE 100 Ca 0.12 -0.44 -0.15 0.00 -0.27 0.00 0.00 62.75 62.01 2k45 n ILE 100 Cb 0.51 -0.53 -0.09 0.00 -1.74 0.00 0.00 39.64 37.79 2k45 n ILE 100 CO 0.00 0.00 0.00 0.16 -1.76 0.00 0.00 176.55 174.95 2k45 h ILE 101 N -0.25 1.42 -2.43 7.28 3.07 -1.77 -3.40 117.51 121.43 2k45 h ILE 101 Ca -0.45 -1.70 0.18 0.00 1.55 0.00 0.00 64.86 64.44 2k45 h ILE 101 Cb 1.37 2.30 -0.05 0.00 -0.27 0.00 0.00 36.82 40.18 2k45 h ILE 101 CO 0.41 0.49 0.58 -0.83 -1.05 0.00 0.00 178.15 177.75 2k45 s GLY 102 N -3.75 -0.00 -0.05 0.16 0.00 -1.15 -3.60 107.32 98.93 2k45 s GLY 102 Ca -0.14 -0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.11 2k45 s GLY 102 CO 0.77 1.72 0.96 1.85 0.00 0.00 0.00 173.10 178.40 2k45 s GLU 103 N -2.46 0.71 -0.06 2.90 2.12 0.28 0.44 118.70 122.62 2k45 s GLU 103 Ca 0.19 -0.26 -0.07 0.00 0.36 0.00 0.00 54.97 55.19 2k45 s GLU 103 Cb -0.02 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.71 2k45 s GLU 103 CO 0.04 -0.31 0.19 0.12 -0.54 0.00 0.00 175.26 174.76 2k45 s PHE 104 N -2.97 -0.17 -0.11 5.30 5.36 0.82 0.11 117.98 126.31 2k45 s PHE 104 Ca 0.06 0.41 0.01 0.00 -0.96 0.00 0.00 56.93 56.45 2k45 s PHE 104 Cb -0.01 0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.71 2k45 s PHE 104 CO -0.08 -0.14 -0.15 0.15 -1.46 0.00 0.00 175.22 173.54 2k45 s LYS 105 N -0.19 3.21 -0.34 10.12 1.02 -1.26 -0.83 119.74 131.47 2k45 s LYS 105 Ca -0.03 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 2k45 s LYS 105 Cb -0.03 -2.54 0.12 0.00 -0.52 0.00 0.00 37.83 34.86 2k45 s LYS 105 CO 0.01 0.27 0.17 0.08 -0.92 0.00 0.00 175.35 174.95 2k45 s VAL 106 N 0.19 0.52 0.38 3.17 1.01 0.86 -5.00 120.40 121.53 2k45 s VAL 106 Ca -0.09 -1.57 -0.27 0.00 0.00 0.00 0.00 61.98 60.04 2k45 s VAL 106 Cb -0.15 -1.39 -0.10 0.00 0.00 0.00 0.00 36.38 34.73 2k45 s VAL 106 CO 0.05 -0.83 1.37 -2.16 0.00 0.00 0.00 175.10 173.54 2k45 s PRO 107 N 1.31 4.11 0.38 2.72 0.04 -1.26 -2.35 135.00 139.96 2k45 s PRO 107 Ca 0.14 2.33 0.12 0.00 0.04 0.00 0.00 61.00 63.63 2k45 s PRO 107 Cb -0.20 -2.92 0.93 0.00 0.04 0.00 0.00 34.50 32.35 2k45 s PRO 107 CO -0.15 -0.44 1.87 0.00 0.04 0.00 0.00 177.00 178.33 2k45 h MET 108 N 2.97 0.55 0.00 4.56 -0.00 -1.84 -1.88 114.93 119.30 2k45 h MET 108 Ca -0.50 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.70 59.12 2k45 h MET 108 Cb 1.24 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 32.71 2k45 h MET 108 CO 0.64 0.36 -0.22 -0.91 -0.00 0.00 0.00 176.91 176.78 2k45 h ASN 109 N 0.57 0.00 0.43 -0.10 -0.26 -1.83 -3.14 115.58 111.24 2k45 h ASN 109 Ca 0.44 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.88 2k45 h ASN 109 Cb 0.86 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.07 2k45 h ASN 109 CO -0.19 0.22 -1.75 0.74 -1.06 0.00 0.00 177.43 175.39 2k45 h THR 110 N 0.00 0.82 -3.71 2.81 2.02 -1.71 -3.42 112.91 109.71 2k45 h THR 110 Ca -0.00 -2.64 -0.68 0.00 0.77 0.00 0.00 66.41 63.86 2k45 h THR 110 Cb 0.63 2.45 -0.19 0.00 -1.74 0.00 0.00 68.15 69.30 2k45 h THR 110 CO 0.03 0.57 -0.49 -0.69 0.37 0.00 0.00 175.52 175.31 2k45 s VAL 111 N -2.59 5.16 -0.44 3.16 1.01 -1.19 -5.05 120.40 120.47 2k45 s VAL 111 Ca -0.08 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 2k45 s VAL 111 Cb 0.08 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.83 2k45 s VAL 111 CO 0.82 0.01 0.89 1.51 0.00 0.00 0.00 175.10 178.33 2k45 s ASP 112 N 1.70 6.52 -1.22 3.32 -4.77 -1.26 -4.85 116.67 116.11 2k45 s ASP 112 Ca 0.06 0.18 -0.07 0.00 -3.30 0.00 0.00 52.55 49.42 2k45 s ASP 112 Cb -0.17 -2.44 0.21 0.00 -1.09 0.00 0.00 42.92 39.42 2k45 s ASP 112 CO 0.10 -0.98 1.88 0.49 0.70 0.00 0.00 175.17 177.36 2k45 n PHE 113 N 6.98 2.66 0.01 2.11 3.72 -1.26 -4.69 117.46 126.99 2k45 n PHE 113 Ca 0.05 -2.72 -0.09 0.00 -0.05 0.00 0.00 57.45 54.64 2k45 n PHE 113 Cb 0.48 -1.69 -0.07 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 6.51 -0.13 0.00 1.37 0.00 -1.95 -3.43 103.07 105.44 2k45 h GLY 114 Ca 0.42 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2k45 h GLY 114 CO 1.49 -0.05 0.00 1.57 0.00 0.00 0.00 176.54 179.55 2k45 n HIS 115 N -4.82 0.00 -4.42 5.60 -0.00 -1.26 -4.76 115.22 105.55 2k45 n HIS 115 Ca -0.07 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.34 2k45 n HIS 115 Cb 0.26 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.09 2k45 n HIS 115 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2k45 s VAL 116 N 1.98 1.92 -0.19 3.57 1.01 -1.25 -3.65 120.40 123.79 2k45 s VAL 116 Ca 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 2k45 s VAL 116 Cb 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 2k45 s VAL 116 CO 0.00 0.52 0.49 -0.89 0.00 0.00 0.00 175.10 175.22 2k45 s THR 117 N 1.04 5.13 -0.25 3.92 2.01 0.19 -4.87 115.64 122.82 2k45 s THR 117 Ca -0.02 0.91 -0.01 0.00 0.31 0.00 0.00 61.69 62.87 2k45 s THR 117 Cb -0.14 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.58 2k45 s THR 117 CO -0.06 0.21 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.40 2k45 s GLU 118 N 1.47 2.77 0.09 4.92 2.02 -1.26 0.92 118.70 129.63 2k45 s GLU 118 Ca 0.23 -1.02 -0.20 0.00 0.02 0.00 0.00 54.97 54.00 2k45 s GLU 118 Cb -0.15 -2.97 0.05 0.00 0.10 0.00 0.00 34.13 31.16 2k45 s GLU 118 CO 0.09 -0.42 0.49 -1.83 0.02 0.00 0.00 175.26 173.62 2k45 s GLU 119 N 1.30 1.08 -0.49 1.61 -1.05 -0.70 -5.01 118.70 115.45 2k45 s GLU 119 Ca -0.01 -0.43 -0.21 0.00 -0.15 0.00 0.00 54.97 54.17 2k45 s GLU 119 Cb -0.17 0.49 0.04 0.00 -0.44 0.00 0.00 34.13 34.05 2k45 s GLU 119 CO -0.05 -0.42 0.71 -1.58 0.95 0.00 0.00 175.26 174.87 2k45 s TRP 120 N -3.11 3.00 -0.07 4.83 0.23 -1.26 -2.12 118.94 120.43 2k45 s TRP 120 Ca -0.02 -0.21 0.02 0.00 -2.03 0.00 0.00 56.10 53.86 2k45 s TRP 120 Cb 0.00 -3.59 -0.03 0.00 0.03 0.00 0.00 33.47 29.89 2k45 s TRP 120 CO -0.07 -1.04 -0.11 0.50 0.96 0.00 0.00 176.95 177.19 2k45 s ARG 121 N 3.01 2.71 -0.02 4.98 6.06 -0.34 -4.88 118.95 130.48 2k45 s ARG 121 Ca 0.22 -0.63 -0.11 0.00 -2.50 0.00 0.00 55.73 52.70 2k45 s ARG 121 Cb -0.15 -2.50 -0.05 0.00 0.06 0.00 0.00 34.95 32.31 2k45 s ARG 121 CO 0.17 0.59 0.33 0.16 -2.50 0.00 0.00 175.30 174.05 2k45 s ASP 122 N -0.63 6.66 -0.52 -2.12 -4.77 -1.26 0.97 116.67 115.00 2k45 s ASP 122 Ca 0.09 0.79 -0.20 0.00 -3.30 0.00 0.00 52.55 49.93 2k45 s ASP 122 Cb -0.11 -2.18 0.06 0.00 -1.09 0.00 0.00 42.92 39.59 2k45 s ASP 122 CO 0.01 0.32 0.69 -0.76 0.70 0.00 0.00 175.17 176.13 2k45 s LEU 123 N -1.22 4.81 0.14 2.11 2.01 -0.72 -4.59 118.68 121.22 2k45 s LEU 123 Ca 0.23 -0.82 -0.28 0.00 0.01 0.00 0.00 54.13 53.28 2k45 s LEU 123 Cb -0.15 -2.51 -0.07 0.00 0.01 0.00 0.00 46.19 43.47 2k45 s LEU 123 CO 0.12 -0.96 0.87 0.00 1.01 0.00 0.00 176.35 177.39 2k45 s GLN 124 N 2.88 4.66 -0.25 1.70 -2.07 0.29 -3.18 119.66 123.69 2k45 s GLN 124 Ca 0.18 1.31 -0.29 0.00 -1.82 0.00 0.00 55.36 54.74 2k45 s GLN 124 Cb -0.18 -3.32 -0.03 0.00 -1.09 0.00 0.00 33.01 28.39 2k45 s GLN 124 CO 0.13 0.39 1.71 -1.12 -1.32 0.00 0.00 175.29 175.08 2k45 s SER 125 N -0.59 6.18 -0.09 12.60 0.01 -1.26 0.98 113.70 131.53 2k45 s SER 125 Ca 0.41 1.54 -0.10 0.00 1.31 0.00 0.00 55.95 59.10 2k45 s SER 125 Cb -0.23 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 2k45 s SER 125 CO 0.28 -1.43 0.24 0.00 0.41 0.00 0.00 173.24 172.73 2k45 s ALA 126 N 5.87 3.78 -0.78 1.44 0.00 -1.24 -4.89 121.76 125.94 2k45 s ALA 126 Ca 0.76 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 2k45 s ALA 126 Cb -0.25 -2.16 0.20 0.00 0.00 0.00 0.00 23.12 20.91 2k45 s ALA 126 CO 0.32 0.49 0.64 -2.00 0.00 0.00 0.00 175.76 175.21 2k45 s GLU 127 N -0.79 3.04 0.00 0.00 2.12 -1.26 -4.59 118.70 117.22 2k45 s GLU 127 Ca 0.17 -2.88 0.10 0.00 0.36 0.00 0.00 54.97 52.73 2k45 s GLU 127 Cb -0.13 -3.93 0.08 0.00 0.26 0.00 0.00 34.13 30.41 2k45 s GLU 127 CO 0.07 -1.23 0.83 1.63 -0.54 0.00 0.00 175.26 176.01