#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 0.07 3.44 -0.00 -1.26 -4.68 118.16 115.73 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 0.30 0.00 -0.00 0.00 0.00 35.03 35.33 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 0.70 0.00 -5.58 7.99 0.79 -4.81 117.00 116.10 2k45 n LEU 3 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 2k45 n LEU 3 Cb 0.00 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 2k45 n LEU 3 CO 0.00 -0.10 0.00 0.61 -1.51 0.00 0.00 177.39 176.39 2k45 n GLY 4 N 1.34 -1.67 3.15 -0.72 0.00 -1.25 -2.65 105.19 103.41 2k45 n GLY 4 Ca 0.05 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 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 0.79 -0.29 1.61 1.02 -1.21 -0.47 119.74 121.19 2k45 s LYS 5 Ca 0.00 -1.27 0.01 0.00 0.02 0.00 0.00 55.97 54.73 2k45 s LYS 5 Cb 0.00 -0.18 0.08 0.00 -0.52 0.00 0.00 37.83 37.21 2k45 s LYS 5 CO 0.00 -0.02 0.02 -0.48 -0.92 0.00 0.00 175.35 173.95 2k45 s LEU 6 N -2.90 3.17 -0.38 3.17 2.34 0.36 -0.24 118.68 124.20 2k45 s LEU 6 Ca 0.09 -1.62 -0.15 0.00 0.06 0.00 0.00 54.13 52.52 2k45 s LEU 6 Cb 0.04 -1.23 0.01 0.00 -0.56 0.00 0.00 46.19 44.44 2k45 s LEU 6 CO -0.05 -0.33 0.30 -1.10 -1.06 0.00 0.00 176.35 174.11 2k45 s GLN 7 N 1.30 3.21 0.00 1.48 1.11 -0.93 -2.01 119.66 123.81 2k45 s GLN 7 Ca 0.04 -0.81 0.00 0.00 0.01 0.00 0.00 55.36 54.59 2k45 s GLN 7 Cb -0.18 -3.91 0.00 0.00 -1.01 0.00 0.00 33.01 27.91 2k45 s GLN 7 CO -0.12 -0.64 0.00 0.98 0.01 0.00 0.00 175.29 175.52 2k45 n TYR 8 N 5.21 0.00 -3.94 0.91 9.36 -0.94 -3.28 117.16 124.48 2k45 n TYR 8 Ca -0.11 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.89 2k45 n TYR 8 Cb 0.48 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 39.02 2k45 n TYR 8 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2k45 s SER 9 N 2.00 1.35 -0.11 2.98 1.04 -1.14 -1.27 113.70 118.54 2k45 s SER 9 Ca 0.00 -0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.33 2k45 s SER 9 Cb 0.00 -0.47 -0.01 0.00 0.10 0.00 0.00 66.02 65.64 2k45 s SER 9 CO 0.00 -0.13 -0.17 -0.76 0.98 0.00 0.00 173.24 173.16 2k45 s LEU 10 N 1.52 2.48 0.37 2.42 2.01 0.31 -2.62 118.68 125.17 2k45 s LEU 10 Ca -0.02 -0.41 0.04 0.00 0.01 0.00 0.00 54.13 53.75 2k45 s LEU 10 Cb -0.13 -1.53 -0.03 0.00 0.01 0.00 0.00 46.19 44.50 2k45 s LEU 10 CO -0.03 0.17 0.12 1.51 1.01 0.00 0.00 176.35 179.13 2k45 s ASP 11 N 0.28 2.39 -0.17 2.29 1.47 0.26 0.99 116.67 124.18 2k45 s ASP 11 Ca -0.12 -1.59 0.00 0.00 1.18 0.00 0.00 52.55 52.02 2k45 s ASP 11 Cb -0.16 0.36 0.03 0.00 -0.34 0.00 0.00 42.92 42.81 2k45 s ASP 11 CO 0.07 -0.86 -0.12 -0.47 0.68 0.00 0.00 175.17 174.47 2k45 s TYR 12 N -3.33 2.21 -0.38 2.11 5.04 -1.22 0.19 117.35 121.97 2k45 s TYR 12 Ca 0.29 -1.34 -0.18 0.00 -2.44 0.00 0.00 57.07 53.40 2k45 s TYR 12 Cb 0.04 -1.58 0.01 0.00 0.35 0.00 0.00 41.96 40.78 2k45 s TYR 12 CO 0.15 -0.69 0.49 0.34 -1.34 0.00 0.00 175.55 174.50 2k45 s ASP 13 N 1.47 6.26 0.16 4.32 -1.08 -0.99 -4.96 116.67 121.85 2k45 s ASP 13 Ca 0.02 -0.28 0.19 0.00 -0.52 0.00 0.00 52.55 51.97 2k45 s ASP 13 Cb -0.14 -2.25 -0.04 0.00 -1.46 0.00 0.00 42.92 39.03 2k45 s ASP 13 CO -0.09 -0.53 1.00 2.19 0.52 0.00 0.00 175.17 178.26 2k45 h PHE 14 N 8.60 0.00 -0.37 -5.34 -5.15 -1.95 -1.77 116.94 110.95 2k45 h PHE 14 Ca -0.27 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.50 2k45 h PHE 14 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.29 2k45 h PHE 14 CO 0.69 0.29 0.00 0.00 -2.00 0.00 0.00 178.31 177.29 2k45 n GLN 15 N -2.83 2.21 0.00 6.09 -0.00 -1.26 -1.10 117.38 120.48 2k45 n GLN 15 Ca -0.04 -1.47 0.06 0.00 -0.00 0.00 0.00 57.00 55.54 2k45 n GLN 15 Cb 0.69 -1.46 0.05 0.00 -0.00 0.00 0.00 30.24 29.52 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 0.56 1.93 -3.76 2.61 0.23 -1.22 -5.01 115.26 110.60 2k45 n ASN 16 Ca 0.13 -1.47 -0.29 0.00 -0.53 0.00 0.00 54.58 52.43 2k45 n ASN 16 Cb 0.44 0.03 0.03 0.00 -2.08 0.00 0.00 39.78 38.19 2k45 n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k45 n ASN 17 N 0.60 -3.59 -3.81 0.53 4.05 -0.26 -4.89 115.26 107.89 2k45 n ASN 17 Ca 0.07 -1.00 -0.13 0.00 0.45 0.00 0.00 54.58 53.97 2k45 n ASN 17 Cb 0.29 -3.33 -0.13 0.00 1.23 0.00 0.00 39.78 37.84 2k45 n ASN 17 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 2k45 s GLN 18 N -6.15 0.18 0.38 1.20 -0.44 -0.70 -1.66 119.66 112.47 2k45 s GLN 18 Ca 0.31 0.23 -0.14 0.00 -2.50 0.00 0.00 55.36 53.26 2k45 s GLN 18 Cb -0.11 0.07 -0.08 0.00 -1.64 0.00 0.00 33.01 31.25 2k45 s GLN 18 CO 0.87 -0.03 0.79 -0.51 0.50 0.00 0.00 175.29 176.91 2k45 s LEU 19 N 0.18 3.91 -0.06 3.68 1.43 0.61 -2.35 118.68 126.08 2k45 s LEU 19 Ca -0.01 1.29 0.02 0.00 -1.03 0.00 0.00 54.13 54.40 2k45 s LEU 19 Cb -0.02 -4.14 0.01 0.00 0.03 0.00 0.00 46.19 42.07 2k45 s LEU 19 CO -0.00 -0.34 -0.11 -0.22 0.23 0.00 0.00 176.35 175.91 2k45 s LEU 20 N -3.45 1.64 -0.61 1.79 0.20 0.50 0.12 118.68 118.86 2k45 s LEU 20 Ca 0.54 -0.27 0.05 0.00 0.69 0.00 0.00 54.13 55.14 2k45 s LEU 20 Cb -0.10 -0.76 0.17 0.00 -0.43 0.00 0.00 46.19 45.08 2k45 s LEU 20 CO 0.24 0.03 0.46 1.33 -0.29 0.00 0.00 176.35 178.12 2k45 n VAL 21 N 3.73 0.77 -3.05 1.68 0.24 -1.09 0.89 118.33 121.50 2k45 n VAL 21 Ca -0.22 -4.43 -0.45 0.00 -2.04 0.00 0.00 64.34 57.20 2k45 n VAL 21 Cb 0.52 -2.02 -0.03 0.00 -1.47 0.00 0.00 33.84 30.84 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 -1.05 1.97 0.00 7.63 0.00 0.21 -3.70 107.32 112.38 2k45 s GLY 22 Ca 0.28 -2.62 0.00 0.00 0.00 0.00 0.00 44.72 42.38 2k45 s GLY 22 CO -0.17 1.75 0.00 0.29 0.00 0.00 0.00 173.10 174.96 2k45 n ILE 23 N 5.26 0.00 0.00 0.90 -0.00 -1.26 -2.91 119.36 121.35 2k45 n ILE 23 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.84 2k45 n ILE 23 Cb 0.46 -1.37 0.00 0.00 -0.00 0.00 0.00 39.64 38.74 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2k45 n ILE 24 N 0.00 0.00 -3.81 7.28 5.41 -1.21 -1.94 119.36 125.10 2k45 n ILE 24 Ca 0.00 0.05 -0.12 0.00 1.00 0.00 0.00 62.75 63.67 2k45 n ILE 24 Cb 0.00 -0.83 -0.09 0.00 -0.71 0.00 0.00 39.64 38.01 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 -0.45 0.57 0.13 0.38 1.03 -1.26 0.12 119.66 120.18 2k45 s GLN 25 Ca 0.00 -0.24 0.04 0.00 0.04 0.00 0.00 55.36 55.19 2k45 s GLN 25 Cb 0.00 0.25 -0.04 0.00 0.03 0.00 0.00 33.01 33.25 2k45 s GLN 25 CO 0.00 -0.15 0.15 0.00 -2.54 0.00 0.00 175.29 172.76 2k45 s ALA 26 N -1.26 3.67 -0.06 2.60 0.00 -1.04 -2.18 121.76 123.49 2k45 s ALA 26 Ca -0.13 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.75 2k45 s ALA 26 Cb -0.06 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.58 2k45 s ALA 26 CO 0.03 0.60 -0.14 0.00 0.00 0.00 0.00 175.76 176.25 2k45 s ALA 27 N -1.64 1.36 -1.30 0.00 0.00 0.67 -2.79 121.76 118.06 2k45 s ALA 27 Ca 0.31 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 2k45 s ALA 27 Cb -0.11 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2k45 s ALA 27 CO 0.24 0.17 0.87 -0.85 0.00 0.00 0.00 175.76 176.19 2k45 n GLU 28 N 3.60 -5.83 -2.32 0.00 0.28 0.24 -3.34 120.64 113.27 2k45 n GLU 28 Ca -0.21 0.71 -0.32 0.00 -0.16 0.00 0.00 57.16 57.19 2k45 n GLU 28 Cb 0.52 -5.50 -0.02 0.00 1.43 0.00 0.00 31.44 27.87 2k45 n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2k45 s LEU 29 N -6.69 3.55 0.48 -1.84 1.43 -0.00 -4.38 118.68 111.22 2k45 s LEU 29 Ca 0.12 1.47 -0.24 0.00 -1.03 0.00 0.00 54.13 54.45 2k45 s LEU 29 Cb -0.06 -4.43 -0.07 0.00 0.03 0.00 0.00 46.19 41.66 2k45 s LEU 29 CO 0.78 -0.64 1.41 -2.84 0.23 0.00 0.00 176.35 175.30 2k45 s PRO 30 N -4.35 3.50 -0.09 1.29 0.02 -1.26 -4.70 135.00 129.41 2k45 s PRO 30 Ca 0.57 2.38 -0.29 0.00 0.02 0.00 0.00 61.00 63.68 2k45 s PRO 30 Cb -0.10 -2.53 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 2k45 s PRO 30 CO 0.37 -0.96 0.97 0.00 -0.33 0.00 0.00 177.00 177.05 2k45 s ALA 31 N -1.23 3.37 -0.31 -1.55 0.00 -1.26 -4.62 121.76 116.17 2k45 s ALA 31 Ca 0.65 0.35 0.07 0.00 0.00 0.00 0.00 51.96 53.02 2k45 s ALA 31 Cb -0.43 -3.37 0.46 0.00 0.00 0.00 0.00 23.12 19.77 2k45 s ALA 31 CO 0.54 -0.52 1.27 1.28 0.00 0.00 0.00 175.76 178.33 2k45 n LEU 32 N 4.78 4.79 -3.89 0.00 7.99 -1.15 -4.84 117.00 124.68 2k45 n LEU 32 Ca 0.07 -4.55 -0.09 0.00 -0.01 0.00 0.00 56.01 51.42 2k45 n LEU 32 Cb 0.49 -0.43 -0.09 0.00 -0.11 0.00 0.00 43.42 43.29 2k45 n LEU 32 CO 0.51 1.93 -0.15 -0.62 -1.51 0.00 0.00 177.39 177.54 2k45 s ASP 33 N -3.37 0.13 -1.38 -1.43 -1.08 -0.93 -4.42 116.67 104.19 2k45 s ASP 33 Ca 0.50 -0.52 -0.14 0.00 -0.52 0.00 0.00 52.55 51.87 2k45 s ASP 33 Cb 0.41 0.27 0.08 0.00 -1.46 0.00 0.00 42.92 42.22 2k45 s ASP 33 CO 0.02 -0.58 2.02 0.80 0.52 0.00 0.00 175.17 177.95 2k45 n MET 34 N 0.53 3.09 -0.07 4.34 0.00 -1.26 -3.22 117.12 120.53 2k45 n MET 34 Ca -0.18 -2.98 0.00 0.00 -0.00 0.00 0.00 57.70 54.54 2k45 n MET 34 Cb 0.60 -3.25 0.00 0.00 0.00 0.00 0.00 33.22 30.56 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 4.13 0.18 3.72 -5.12 0.00 -1.26 -4.96 105.19 101.88 2k45 n GLY 35 Ca 0.48 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.50 3.25 -0.02 0.00 -1.20 -4.97 105.19 101.75 2k45 n GLY 36 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.20 0.00 0.28 2.61 -4.23 -1.26 -4.85 115.64 104.99 2k45 s THR 37 Ca 0.58 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 2k45 s THR 37 Cb -0.29 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.02 2k45 s THR 37 CO 0.72 0.00 0.05 -0.94 -0.54 0.00 0.00 174.62 173.91 2k45 s SER 38 N -3.17 1.82 -0.89 3.99 1.04 -1.26 -2.19 113.70 113.04 2k45 s SER 38 Ca 0.37 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2k45 s SER 38 Cb 0.06 0.03 0.28 0.00 0.10 0.00 0.00 66.02 66.48 2k45 s SER 38 CO 0.13 -0.62 1.12 0.47 0.98 0.00 0.00 173.24 175.32 2k45 n ASP 39 N -0.54 5.14 -4.70 7.02 9.92 -1.25 -1.38 116.55 130.76 2k45 n ASP 39 Ca -0.02 -3.40 -0.38 0.00 -0.53 0.00 0.00 54.79 50.46 2k45 n ASP 39 Cb 0.66 -1.01 0.05 0.00 -0.64 0.00 0.00 41.12 40.17 2k45 n ASP 39 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k45 n PRO 40 N 1.25 1.38 -3.63 -0.24 -0.04 -1.22 -1.53 135.00 130.97 2k45 n PRO 40 Ca 0.27 0.52 -0.03 0.00 -0.04 0.00 0.00 63.50 64.21 2k45 n PRO 40 Cb 0.37 -2.42 -0.06 0.00 -0.04 0.00 0.00 33.50 31.34 2k45 n PRO 40 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2k45 s TYR 41 N -1.35 -0.74 -0.08 0.54 -0.85 -0.94 -1.32 117.35 112.62 2k45 s TYR 41 Ca 0.73 1.45 -0.18 0.00 -0.52 0.00 0.00 57.07 58.56 2k45 s TYR 41 Cb -0.42 0.44 -0.05 0.00 0.38 0.00 0.00 41.96 42.31 2k45 s TYR 41 CO 0.48 -0.36 0.50 0.08 -1.52 0.00 0.00 175.55 174.72 2k45 s VAL 42 N 1.51 5.11 -0.18 -3.49 1.01 -1.26 0.14 120.40 123.24 2k45 s VAL 42 Ca -0.09 1.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.81 2k45 s VAL 42 Cb -0.04 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2k45 s VAL 42 CO -0.17 0.37 0.13 -1.59 0.00 0.00 0.00 175.10 173.84 2k45 s LYS 43 N 0.28 3.99 -0.15 2.72 -2.85 0.28 -2.17 119.74 121.84 2k45 s LYS 43 Ca 0.27 -0.20 -0.18 0.00 -1.00 0.00 0.00 55.97 54.86 2k45 s LYS 43 Cb -0.16 -3.35 -0.04 0.00 -2.06 0.00 0.00 37.83 32.22 2k45 s LYS 43 CO 0.12 0.42 0.48 0.08 0.10 0.00 0.00 175.35 176.54 2k45 s VAL 44 N 0.02 5.17 0.15 1.79 1.01 -1.26 -0.10 120.40 127.18 2k45 s VAL 44 Ca 0.10 0.92 -0.00 0.00 0.00 0.00 0.00 61.98 62.99 2k45 s VAL 44 Cb -0.11 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2k45 s VAL 44 CO -0.00 0.28 0.05 0.12 0.00 0.00 0.00 175.10 175.55 2k45 s PHE 45 N 0.96 1.00 0.18 5.22 2.19 -0.68 -4.82 117.98 122.02 2k45 s PHE 45 Ca 0.25 -1.19 0.05 0.00 0.33 0.00 0.00 56.93 56.36 2k45 s PHE 45 Cb -0.15 -0.56 -0.05 0.00 -1.31 0.00 0.00 43.02 40.95 2k45 s PHE 45 CO 0.10 -0.45 -0.08 -0.51 1.83 0.00 0.00 175.22 176.11 2k45 s LEU 46 N -3.10 2.44 0.26 6.12 1.43 -1.26 -1.91 118.68 122.67 2k45 s LEU 46 Ca 0.26 -1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 51.99 2k45 s LEU 46 Cb 0.07 -0.37 -0.09 0.00 0.03 0.00 0.00 46.19 45.83 2k45 s LEU 46 CO 0.04 -0.36 0.98 -0.22 0.23 0.00 0.00 176.35 177.01 2k45 s LEU 47 N -3.23 4.59 0.00 1.79 2.96 0.39 -4.38 118.68 120.81 2k45 s LEU 47 Ca 0.21 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 2k45 s LEU 47 Cb 0.03 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 43.06 2k45 s LEU 47 CO 0.04 0.06 0.00 -2.65 -1.32 0.00 0.00 176.35 172.48 2k45 n PRO 48 N 1.32 0.00 -0.00 0.98 -0.02 -1.26 -4.20 135.00 131.81 2k45 n PRO 48 Ca -0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2k45 n PRO 48 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.95 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 -5.40 2.55 3.58 -1.94 -3.49 116.42 111.72 2k45 h ASP 49 Ca 0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 2k45 h ASP 49 Cb 0.00 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.21 2k45 h ASP 49 CO 0.00 0.03 -0.73 1.17 -2.88 0.00 0.00 179.24 176.83 2k45 n LYS 50 N -2.31 -5.82 -1.74 0.28 0.00 -1.26 -4.90 118.16 102.41 2k45 n LYS 50 Ca -0.00 0.80 -0.33 0.00 0.00 0.00 0.00 58.31 58.77 2k45 n LYS 50 Cb 0.01 -5.64 -0.03 0.00 0.00 0.00 0.00 35.03 29.37 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 -3.85 3.42 -3.88 1.64 5.02 -1.26 -4.93 118.16 114.32 2k45 n LYS 51 Ca -0.25 -2.89 -0.30 0.00 -2.02 0.00 0.00 58.31 52.84 2k45 n LYS 51 Cb 0.65 -2.36 -0.15 0.00 -0.02 0.00 0.00 35.03 33.16 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 -1.57 1.27 0.30 1.97 -0.14 -1.26 -2.29 119.74 118.02 2k45 s LYS 52 Ca 0.56 -1.73 -0.29 0.00 -1.36 0.00 0.00 55.97 53.15 2k45 s LYS 52 Cb 0.29 -2.73 -0.10 0.00 -1.68 0.00 0.00 37.83 33.62 2k45 s LYS 52 CO -0.17 -1.00 1.24 0.21 -0.76 0.00 0.00 175.35 174.87 2k45 s LYS 53 N 0.91 4.45 0.47 1.68 2.20 -1.26 -4.92 119.74 123.27 2k45 s LYS 53 Ca 0.12 2.06 -0.03 0.00 -0.36 0.00 0.00 55.97 57.77 2k45 s LYS 53 Cb -0.20 -3.12 0.10 0.00 -1.51 0.00 0.00 37.83 33.09 2k45 s LYS 53 CO -0.11 -0.07 0.64 1.97 -0.36 0.00 0.00 175.35 177.42 2k45 n PHE 54 N 1.15 -3.38 -4.19 4.03 1.16 -1.26 -4.55 117.46 110.42 2k45 n PHE 54 Ca 0.00 -0.93 -0.12 0.00 -1.87 0.00 0.00 57.45 54.54 2k45 n PHE 54 Cb 0.43 -0.48 -0.10 0.00 -1.61 0.00 0.00 39.48 37.72 2k45 n PHE 54 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 2k45 s GLU 55 N -4.19 1.08 0.55 3.97 2.12 -1.25 -4.66 118.70 116.32 2k45 s GLU 55 Ca 0.40 -1.54 -0.19 0.00 0.36 0.00 0.00 54.97 54.01 2k45 s GLU 55 Cb -0.02 0.13 -0.08 0.00 0.26 0.00 0.00 34.13 34.42 2k45 s GLU 55 CO 0.27 -0.28 0.67 0.25 -0.54 0.00 0.00 175.26 175.63 2k45 n THR 56 N -0.20 2.59 -1.47 -1.70 -2.24 -0.92 -4.60 114.28 105.74 2k45 n THR 56 Ca -0.03 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.90 2k45 n THR 56 Cb 0.65 -0.82 0.09 0.00 -2.10 0.00 0.00 70.33 68.15 2k45 n THR 56 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2k45 s LYS 57 N -2.20 2.16 0.04 -0.78 -0.14 -1.26 -4.27 119.74 113.28 2k45 s LYS 57 Ca 0.70 1.91 -0.30 0.00 -1.36 0.00 0.00 55.97 56.91 2k45 s LYS 57 Cb -0.46 -1.82 -0.05 0.00 -1.68 0.00 0.00 37.83 33.82 2k45 s LYS 57 CO 0.53 -1.86 1.19 0.14 -0.76 0.00 0.00 175.35 174.59 2k45 s VAL 58 N -1.75 4.11 -0.67 3.17 -7.23 -1.26 -4.70 120.40 112.08 2k45 s VAL 58 Ca 0.78 1.51 -0.16 0.00 -1.81 0.00 0.00 61.98 62.29 2k45 s VAL 58 Cb -0.33 -3.97 0.15 0.00 0.56 0.00 0.00 36.38 32.79 2k45 s VAL 58 CO 0.44 0.09 0.68 -1.00 -0.31 0.00 0.00 175.10 175.01 2k45 s HIS 59 N 1.29 3.32 -0.03 2.82 3.76 -0.43 -4.94 115.29 121.07 2k45 s HIS 59 Ca 0.58 -1.41 -0.30 0.00 -0.15 0.00 0.00 55.06 53.78 2k45 s HIS 59 Cb -0.28 -3.90 -0.06 0.00 1.11 0.00 0.00 32.58 29.45 2k45 s HIS 59 CO 0.28 -1.12 1.60 1.03 -0.85 0.00 0.00 174.74 175.68 2k45 s ARG 60 N 1.57 4.20 -1.05 1.40 1.81 -1.26 -3.44 118.95 122.17 2k45 s ARG 60 Ca 0.12 2.16 -0.03 0.00 -1.72 0.00 0.00 55.73 56.25 2k45 s ARG 60 Cb -0.21 -3.86 -0.04 0.00 -0.45 0.00 0.00 34.95 30.39 2k45 s ARG 60 CO -0.01 -0.79 0.90 1.63 -0.68 0.00 0.00 175.30 176.36 2k45 n LYS 61 N 6.62 -3.81 -3.65 3.54 4.76 -0.90 -4.98 118.16 119.74 2k45 n LYS 61 Ca 0.16 0.82 -0.05 0.00 -2.87 0.00 0.00 58.31 56.37 2k45 n LYS 61 Cb 0.43 -5.65 -0.06 0.00 -1.84 0.00 0.00 35.03 27.91 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 -3.36 -0.50 -0.74 -0.18 -1.32 -0.48 -4.82 115.64 104.24 2k45 s THR 62 Ca 0.26 0.02 0.26 0.00 -1.21 0.00 0.00 61.69 61.02 2k45 s THR 62 Cb -0.03 -0.94 0.19 0.00 -1.51 0.00 0.00 72.50 70.20 2k45 s THR 62 CO 0.70 0.01 1.62 0.18 -2.21 0.00 0.00 174.62 174.92 2k45 n LEU 63 N 4.90 0.69 -3.53 9.08 7.99 -1.26 -4.16 117.00 130.70 2k45 n LEU 63 Ca -0.16 0.43 -0.27 0.00 -0.01 0.00 0.00 56.01 56.00 2k45 n LEU 63 Cb 0.54 -0.29 -0.10 0.00 -0.11 0.00 0.00 43.42 43.46 2k45 n LEU 63 CO -0.02 -0.11 -0.13 -3.20 -1.51 0.00 0.00 177.39 172.42 2k45 n ASN 64 N -2.11 1.74 -4.87 -1.43 4.05 -1.26 -0.59 115.26 110.78 2k45 n ASN 64 Ca 0.05 -2.95 -0.33 0.00 0.45 0.00 0.00 54.58 51.81 2k45 n ASN 64 Cb 0.42 -0.66 -0.05 0.00 1.23 0.00 0.00 39.78 40.72 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 -1.23 3.79 -0.23 1.20 0.04 -1.12 -4.89 135.00 132.57 2k45 s PRO 65 Ca 0.32 0.23 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 2k45 s PRO 65 Cb 0.06 -2.77 0.07 0.00 0.04 0.00 0.00 34.50 31.90 2k45 s PRO 65 CO -0.13 0.40 0.02 0.14 0.04 0.00 0.00 177.00 177.47 2k45 s VAL 66 N -1.68 0.88 -0.22 -0.36 -7.23 -1.26 -2.50 120.40 108.02 2k45 s VAL 66 Ca 0.43 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 2k45 s VAL 66 Cb -0.12 -1.37 -0.19 0.00 0.56 0.00 0.00 36.38 35.26 2k45 s VAL 66 CO 0.21 -0.26 -0.07 0.33 -0.31 0.00 0.00 175.10 174.99 2k45 n PHE 67 N 4.90 0.31 -3.17 2.82 -0.00 -0.76 -4.95 117.46 116.62 2k45 n PHE 67 Ca -0.08 0.07 -0.08 0.00 -0.00 0.00 0.00 57.45 57.35 2k45 n PHE 67 Cb 0.45 -1.04 0.00 0.00 -0.00 0.00 0.00 39.48 38.90 2k45 n PHE 67 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2k45 n ASN 68 N -3.30 -7.19 -3.15 -2.13 0.23 0.32 -4.98 115.26 95.05 2k45 n ASN 68 Ca -0.42 -0.11 0.03 0.00 -0.53 0.00 0.00 54.58 53.55 2k45 n ASN 68 Cb 1.01 -4.48 -0.00 0.00 -2.08 0.00 0.00 39.78 34.22 2k45 n ASN 68 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 2k45 s GLU 69 N -3.22 0.63 -0.28 -3.83 -1.05 -0.82 -4.85 118.70 105.28 2k45 s GLU 69 Ca 0.08 0.12 0.02 0.00 -0.15 0.00 0.00 54.97 55.04 2k45 s GLU 69 Cb -0.02 0.16 0.08 0.00 -0.44 0.00 0.00 34.13 33.91 2k45 s GLU 69 CO 0.79 -1.01 -0.01 -1.14 0.95 0.00 0.00 175.26 174.83 2k45 s GLN 70 N 2.34 1.57 -0.52 -4.83 -0.44 -1.24 -3.85 119.66 112.69 2k45 s GLN 70 Ca 0.14 -1.36 0.03 0.00 -2.50 0.00 0.00 55.36 51.66 2k45 s GLN 70 Cb -0.06 -2.77 0.13 0.00 -1.64 0.00 0.00 33.01 28.67 2k45 s GLN 70 CO -0.17 -0.76 0.27 -0.59 0.50 0.00 0.00 175.29 174.54 2k45 s PHE 71 N 1.21 3.28 0.00 1.67 -0.71 -1.26 -0.62 117.98 121.54 2k45 s PHE 71 Ca 0.01 -3.08 0.00 0.00 -1.04 0.00 0.00 56.93 52.82 2k45 s PHE 71 Cb -0.19 -2.89 0.00 0.00 -1.21 0.00 0.00 43.02 38.73 2k45 s PHE 71 CO -0.09 -0.78 0.00 0.25 -1.34 0.00 0.00 175.22 173.26 2k45 n THR 72 N 3.29 0.00 -3.81 -4.49 -2.24 -1.26 -4.94 114.28 100.83 2k45 n THR 72 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 2k45 n THR 72 Cb 0.34 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.44 2k45 n THR 72 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2k45 s PHE 73 N 0.00 2.70 -1.44 4.78 2.19 0.33 -4.49 117.98 122.04 2k45 s PHE 73 Ca 0.00 -2.90 -0.13 0.00 0.33 0.00 0.00 56.93 54.24 2k45 s PHE 73 Cb 0.00 -2.30 -0.02 0.00 -1.31 0.00 0.00 43.02 39.38 2k45 s PHE 73 CO 0.00 -0.71 2.45 1.63 1.83 0.00 0.00 175.22 180.43 2k45 n LYS 74 N 2.91 3.01 -3.70 10.12 5.02 -0.97 -0.29 118.16 134.26 2k45 n LYS 74 Ca 0.13 -2.35 -0.16 0.00 -2.02 0.00 0.00 58.31 53.90 2k45 n LYS 74 Cb 0.35 -3.06 -0.16 0.00 -0.02 0.00 0.00 35.03 32.15 2k45 n LYS 74 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2k45 s VAL 75 N 2.99 -0.17 0.61 -0.18 1.01 -1.26 -4.70 120.40 118.71 2k45 s VAL 75 Ca 0.55 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.66 2k45 s VAL 75 Cb 0.15 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.24 2k45 s VAL 75 CO -0.06 0.13 0.88 -2.65 0.00 0.00 0.00 175.10 173.40 2k45 n PRO 76 N 4.94 0.79 -0.03 2.72 -0.02 -0.66 -3.73 135.00 139.00 2k45 n PRO 76 Ca -0.12 0.31 -0.06 0.00 -2.02 0.00 0.00 63.50 61.61 2k45 n PRO 76 Cb 0.50 -2.08 0.14 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.37 0.70 -0.18 6.00 -0.00 -1.90 0.50 116.97 122.45 2k45 h TYR 77 Ca -0.48 -0.16 0.01 0.00 -0.00 0.00 0.00 58.73 58.10 2k45 h TYR 77 Cb 1.37 -0.17 -0.01 0.00 -0.00 0.00 0.00 36.73 37.93 2k45 h TYR 77 CO 0.36 0.83 0.12 1.03 -0.00 0.00 0.00 178.16 180.49 2k45 h SER 78 N 0.53 0.17 1.11 0.10 0.87 -1.96 -1.45 113.55 112.93 2k45 h SER 78 Ca 0.07 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2k45 h SER 78 Cb 0.75 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2k45 h SER 78 CO 0.06 0.12 -0.67 -0.08 -0.53 0.00 0.00 176.83 175.73 2k45 h GLU 79 N 0.20 0.00 -0.31 2.24 4.81 -1.08 -3.31 114.58 117.13 2k45 h GLU 79 Ca 0.07 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2k45 h GLU 79 Cb 0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2k45 h GLU 79 CO -0.01 0.00 0.20 1.25 -0.73 0.00 0.00 179.01 179.72 2k45 h LEU 80 N 0.00 0.31 -0.82 1.64 6.46 0.98 -2.55 115.31 121.33 2k45 h LEU 80 Ca 0.00 -0.01 0.20 0.00 -0.12 0.00 0.00 57.88 57.95 2k45 h LEU 80 Cb 0.89 -0.08 -0.14 0.00 -0.73 0.00 0.00 40.66 40.60 2k45 h LEU 80 CO 0.00 0.22 0.01 1.23 -0.62 0.00 0.00 178.44 179.29 2k45 h GLY 81 N 0.37 0.95 0.89 3.75 0.00 -1.65 -1.18 103.07 106.20 2k45 h GLY 81 Ca 0.12 0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.45 2k45 h GLY 81 CO -0.03 -0.34 -0.33 -1.33 0.00 0.00 0.00 176.54 174.51 2k45 h GLY 82 N 0.09 0.61 -2.72 4.60 0.00 -1.73 -3.35 103.07 100.57 2k45 h GLY 82 Ca 0.46 -0.71 -0.50 0.00 0.00 0.00 0.00 47.33 46.59 2k45 h GLY 82 CO -0.73 0.63 0.09 0.54 0.00 0.00 0.00 176.54 177.08 2k45 s LYS 83 N -4.10 3.88 -0.11 4.80 -0.14 -0.44 -4.82 119.74 118.81 2k45 s LYS 83 Ca -0.13 0.55 0.02 0.00 -1.36 0.00 0.00 55.97 55.05 2k45 s LYS 83 Cb 0.07 -2.42 -0.01 0.00 -1.68 0.00 0.00 37.83 33.78 2k45 s LYS 83 CO 0.81 0.07 -0.17 0.95 -0.76 0.00 0.00 175.35 176.26 2k45 s THR 84 N -2.16 2.73 -0.21 2.17 -4.23 -1.26 -2.36 115.64 110.32 2k45 s THR 84 Ca 0.52 -0.79 -0.15 0.00 -1.18 0.00 0.00 61.69 60.09 2k45 s THR 84 Cb -0.10 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 2k45 s THR 84 CO 0.24 0.54 0.38 -1.48 -0.54 0.00 0.00 174.62 173.76 2k45 s LEU 85 N 0.21 4.14 -0.05 4.79 2.34 -1.26 -0.46 118.68 128.39 2k45 s LEU 85 Ca -0.10 0.47 0.03 0.00 0.06 0.00 0.00 54.13 54.59 2k45 s LEU 85 Cb -0.16 -2.48 0.00 0.00 -0.56 0.00 0.00 46.19 43.00 2k45 s LEU 85 CO 0.06 -0.07 -0.15 0.68 -1.06 0.00 0.00 176.35 175.80 2k45 s VAL 86 N 1.35 1.33 0.08 1.48 -7.23 -0.80 0.47 120.40 117.08 2k45 s VAL 86 Ca 0.18 -0.63 0.09 0.00 -1.81 0.00 0.00 61.98 59.81 2k45 s VAL 86 Cb -0.15 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 2k45 s VAL 86 CO 0.08 0.39 -0.24 -0.04 -0.31 0.00 0.00 175.10 174.98 2k45 s MET 87 N 0.29 1.40 -0.08 4.82 -1.94 -1.12 -1.68 119.30 120.99 2k45 s MET 87 Ca -0.09 -1.15 -0.02 0.00 -1.71 0.00 0.00 55.69 52.72 2k45 s MET 87 Cb -0.13 -1.68 0.04 0.00 2.01 0.00 0.00 34.83 35.06 2k45 s MET 87 CO 0.03 0.41 0.04 0.00 -0.01 0.00 0.00 175.02 175.50 2k45 s ALA 88 N -0.97 0.46 -0.26 3.03 0.00 0.85 0.14 121.76 125.01 2k45 s ALA 88 Ca 0.10 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 2k45 s ALA 88 Cb -0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 2k45 s ALA 88 CO 0.04 -0.64 1.41 0.08 0.00 0.00 0.00 175.76 176.65 2k45 s VAL 89 N 2.08 3.99 -0.10 0.00 1.01 0.25 0.99 120.40 128.62 2k45 s VAL 89 Ca 0.04 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.17 2k45 s VAL 89 Cb -0.13 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 2k45 s VAL 89 CO -0.05 -0.40 -0.18 -0.47 0.00 0.00 0.00 175.10 174.01 2k45 s TYR 90 N 4.62 2.67 -0.12 5.22 5.04 0.37 -1.75 117.35 133.39 2k45 s TYR 90 Ca 0.62 -0.66 -0.13 0.00 -2.44 0.00 0.00 57.07 54.46 2k45 s TYR 90 Cb -0.20 -1.73 -0.05 0.00 0.35 0.00 0.00 41.96 40.33 2k45 s TYR 90 CO 0.25 -0.18 0.30 0.34 -1.34 0.00 0.00 175.55 174.91 2k45 s ASP 91 N 0.05 6.52 -0.75 4.32 2.15 -1.24 -2.20 116.67 125.52 2k45 s ASP 91 Ca -0.07 0.61 -0.26 0.00 0.43 0.00 0.00 52.55 53.25 2k45 s ASP 91 Cb -0.15 -2.18 0.04 0.00 -0.30 0.00 0.00 42.92 40.32 2k45 s ASP 91 CO 0.05 0.19 1.25 0.12 -0.17 0.00 0.00 175.17 176.61 2k45 s PHE 92 N -0.08 2.35 -2.36 -5.34 5.36 -0.58 -4.65 117.98 112.68 2k45 s PHE 92 Ca 0.18 -0.18 0.25 0.00 -0.96 0.00 0.00 56.93 56.22 2k45 s PHE 92 Cb -0.14 -4.59 0.98 0.00 -0.34 0.00 0.00 43.02 38.94 2k45 s PHE 92 CO 0.06 -2.01 1.69 -0.25 -1.46 0.00 0.00 175.22 173.25 2k45 n ASP 93 N 9.10 1.43 0.00 6.13 9.92 -1.26 -4.20 116.55 137.67 2k45 n ASP 93 Ca 0.04 -1.55 0.00 0.00 -0.53 0.00 0.00 54.79 52.75 2k45 n ASP 93 Cb 0.49 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2k45 n ARG 94 N 0.13 0.00 0.14 -1.24 5.12 -1.26 -3.25 116.66 116.31 2k45 n ARG 94 Ca 0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 2k45 n ARG 94 Cb 0.32 -2.13 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 2k45 n ARG 94 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2k45 n PHE 95 N -0.09 -2.69 -1.45 -1.55 3.72 -1.26 -5.11 117.46 109.04 2k45 n PHE 95 Ca 0.00 0.60 -0.29 0.00 -0.05 0.00 0.00 57.45 57.71 2k45 n PHE 95 Cb 0.00 1.15 0.15 0.00 -0.94 0.00 0.00 39.48 39.85 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2k45 s SER 96 N -4.31 3.10 -0.02 4.37 1.04 -1.20 -4.95 113.70 111.73 2k45 s SER 96 Ca 0.00 0.94 -0.30 0.00 0.48 0.00 0.00 55.95 57.07 2k45 s SER 96 Cb 0.00 -1.49 -0.05 0.00 0.10 0.00 0.00 66.02 64.58 2k45 s SER 96 CO 0.00 -2.80 1.38 -0.54 0.98 0.00 0.00 173.24 172.25 2k45 s LYS 97 N -5.25 4.29 -0.06 4.02 1.02 -1.26 -4.67 119.74 117.82 2k45 s LYS 97 Ca 0.65 1.92 -0.30 0.00 0.02 0.00 0.00 55.97 58.27 2k45 s LYS 97 Cb -0.15 -3.59 -0.06 0.00 -0.52 0.00 0.00 37.83 33.51 2k45 s LYS 97 CO 0.54 -0.57 1.82 -1.01 -0.92 0.00 0.00 175.35 175.20 2k45 s HIS 98 N 2.48 1.67 -0.07 3.18 3.76 -1.26 -4.97 115.29 120.08 2k45 s HIS 98 Ca 0.63 0.05 -0.21 0.00 -0.15 0.00 0.00 55.06 55.37 2k45 s HIS 98 Cb -0.30 -4.04 -0.04 0.00 1.11 0.00 0.00 32.58 29.30 2k45 s HIS 98 CO 0.25 -4.35 0.61 0.34 -0.85 0.00 0.00 174.74 170.75 2k45 s ASP 99 N 4.36 6.90 -0.02 1.40 2.15 -1.26 -4.96 116.67 125.23 2k45 s ASP 99 Ca 0.81 1.08 -0.30 0.00 0.43 0.00 0.00 52.55 54.57 2k45 s ASP 99 Cb -0.35 -2.37 -0.06 0.00 -0.30 0.00 0.00 42.92 39.84 2k45 s ASP 99 CO 0.34 -0.03 1.68 -0.63 -0.17 0.00 0.00 175.17 176.36 2k45 s ILE 100 N 0.52 3.42 -0.04 4.11 1.09 -1.26 -3.63 121.20 125.42 2k45 s ILE 100 Ca 0.33 0.60 -0.24 0.00 -1.10 0.00 0.00 60.65 60.24 2k45 s ILE 100 Cb -0.17 -3.38 -0.23 0.00 -1.06 0.00 0.00 42.46 37.61 2k45 s ILE 100 CO 0.16 -0.04 1.05 0.16 -0.10 0.00 0.00 174.94 176.16 2k45 h ILE 101 N 5.43 1.52 -1.14 2.92 3.07 -1.60 -3.41 117.51 124.29 2k45 h ILE 101 Ca -0.41 -1.95 0.00 0.00 1.55 0.00 0.00 64.86 64.05 2k45 h ILE 101 Cb 1.19 2.72 0.00 0.00 -0.27 0.00 0.00 36.82 40.46 2k45 h ILE 101 CO 0.95 0.54 0.00 0.61 -1.05 0.00 0.00 178.15 179.20 2k45 n GLY 102 N 1.03 1.69 3.70 0.16 0.00 -1.01 -3.73 105.19 107.04 2k45 n GLY 102 Ca -0.10 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 2k45 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k45 s GLU 103 N -0.62 1.70 0.12 1.61 2.02 0.45 0.87 118.70 124.85 2k45 s GLU 103 Ca 0.00 -1.18 0.03 0.00 0.02 0.00 0.00 54.97 53.83 2k45 s GLU 103 Cb 0.00 0.53 -0.01 0.00 0.10 0.00 0.00 34.13 34.75 2k45 s GLU 103 CO 0.00 -0.74 0.09 0.34 0.02 0.00 0.00 175.26 174.97 2k45 n PHE 104 N -0.43 -0.25 -2.84 1.61 7.35 0.37 -0.16 117.46 123.11 2k45 n PHE 104 Ca -0.03 -0.98 0.00 0.00 -0.76 0.00 0.00 57.45 55.68 2k45 n PHE 104 Cb 0.61 0.09 0.00 0.00 0.35 0.00 0.00 39.48 40.53 2k45 n PHE 104 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2k45 n LYS 105 N -0.23 1.71 -3.77 -4.13 -0.00 -1.26 -3.39 118.16 107.09 2k45 n LYS 105 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.21 2k45 n LYS 105 Cb 0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.13 2k45 n LYS 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2k45 s VAL 106 N 1.07 -0.01 0.00 0.58 -7.23 0.18 -2.15 120.40 112.84 2k45 s VAL 106 Ca 0.00 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 2k45 s VAL 106 Cb 0.00 -0.39 0.00 0.00 0.56 0.00 0.00 36.38 36.55 2k45 s VAL 106 CO 0.00 0.01 0.00 -2.65 -0.31 0.00 0.00 175.10 172.15 2k45 n PRO 107 N 3.15 0.00 0.30 4.82 -0.01 -0.95 -4.52 135.00 137.79 2k45 n PRO 107 Ca -0.15 0.00 0.18 0.00 -0.01 0.00 0.00 63.50 63.52 2k45 n PRO 107 Cb 0.57 0.00 0.93 0.00 -0.01 0.00 0.00 33.50 34.99 2k45 n PRO 107 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 175.50 176.01 2k45 h MET 108 N 0.00 0.00 -0.73 -0.52 2.86 -1.70 -2.83 114.93 112.01 2k45 h MET 108 Ca 0.00 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 2k45 h MET 108 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 2k45 h MET 108 CO 0.00 0.04 0.48 -0.91 1.06 0.00 0.00 176.91 177.58 2k45 h ASN 109 N 0.00 0.52 0.31 1.22 -0.26 -1.69 -1.42 115.58 114.27 2k45 h ASN 109 Ca -0.00 0.02 -0.22 0.00 -0.56 0.00 0.00 56.30 55.54 2k45 h ASN 109 Cb 0.19 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.32 2k45 h ASN 109 CO 0.00 0.30 -1.89 0.35 -1.06 0.00 0.00 177.43 175.14 2k45 n THR 110 N -4.49 1.08 -3.12 2.81 -2.24 -1.08 -4.85 114.28 102.39 2k45 n THR 110 Ca 0.12 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 2k45 n THR 110 Cb 0.38 -0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 68.01 2k45 n THR 110 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k45 s VAL 111 N -2.85 4.89 -0.49 2.28 1.01 -0.53 -5.02 120.40 119.68 2k45 s VAL 111 Ca -0.06 0.55 -0.27 0.00 0.00 0.00 0.00 61.98 62.19 2k45 s VAL 111 Cb 0.09 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.42 2k45 s VAL 111 CO 0.84 -0.33 1.04 -1.81 0.00 0.00 0.00 175.10 174.84 2k45 s ASP 112 N 1.80 6.52 -0.93 3.32 1.11 -1.26 -4.72 116.67 122.51 2k45 s ASP 112 Ca 0.24 0.18 -0.00 0.00 0.18 0.00 0.00 52.55 53.15 2k45 s ASP 112 Cb -0.14 -2.50 0.31 0.00 1.07 0.00 0.00 42.92 41.66 2k45 s ASP 112 CO 0.15 -1.20 1.50 0.33 1.18 0.00 0.00 175.17 177.13 2k45 n PHE 113 N 7.61 2.92 -0.03 4.23 -0.00 -1.26 -4.63 117.46 126.30 2k45 n PHE 113 Ca 0.08 -2.94 -0.15 0.00 -0.00 0.00 0.00 57.45 54.44 2k45 n PHE 113 Cb 0.49 -1.04 -0.12 0.00 -0.00 0.00 0.00 39.48 38.81 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2k45 h GLY 114 N 4.31 0.14 0.00 7.13 0.00 -1.98 -3.46 103.07 109.21 2k45 h GLY 114 Ca 0.35 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2k45 h GLY 114 CO 1.13 0.22 0.00 -2.39 0.00 0.00 0.00 176.54 175.51 2k45 n HIS 115 N -4.54 0.00 -4.94 5.60 -0.00 -1.26 -4.75 115.22 105.32 2k45 n HIS 115 Ca -0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.30 2k45 n HIS 115 Cb 0.49 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.32 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 4.20 2.43 -0.20 0.61 0.11 -1.26 -3.45 120.40 122.83 2k45 s VAL 116 Ca 0.00 -0.88 -0.17 0.00 -2.93 0.00 0.00 61.98 58.00 2k45 s VAL 116 Cb 0.00 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 2k45 s VAL 116 CO 0.00 0.54 0.46 -0.89 -3.33 0.00 0.00 175.10 171.88 2k45 s THR 117 N 0.45 5.15 -0.22 5.04 2.01 0.28 -4.93 115.64 123.43 2k45 s THR 117 Ca -0.14 0.83 0.01 0.00 0.31 0.00 0.00 61.69 62.70 2k45 s THR 117 Cb -0.17 -3.78 0.05 0.00 0.01 0.00 0.00 72.50 68.61 2k45 s THR 117 CO 0.06 0.22 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.50 2k45 s GLU 118 N 1.46 1.95 0.06 4.92 2.02 -1.26 0.12 118.70 127.96 2k45 s GLU 118 Ca 0.21 -0.94 -0.23 0.00 0.02 0.00 0.00 54.97 54.04 2k45 s GLU 118 Cb -0.15 -2.52 0.05 0.00 0.10 0.00 0.00 34.13 31.62 2k45 s GLU 118 CO 0.09 -0.49 0.53 -1.83 0.02 0.00 0.00 175.26 173.58 2k45 s GLU 119 N 1.36 1.07 -0.57 1.61 -1.05 -0.40 -4.99 118.70 115.73 2k45 s GLU 119 Ca -0.03 -0.26 -0.20 0.00 -0.15 0.00 0.00 54.97 54.33 2k45 s GLU 119 Cb -0.17 0.49 0.08 0.00 -0.44 0.00 0.00 34.13 34.08 2k45 s GLU 119 CO -0.07 -0.40 0.75 -1.58 0.95 0.00 0.00 175.26 174.91 2k45 s TRP 120 N -2.60 2.94 -0.10 4.83 0.23 -1.26 -2.22 118.94 120.76 2k45 s TRP 120 Ca -0.04 -0.68 0.00 0.00 -2.03 0.00 0.00 56.10 53.35 2k45 s TRP 120 Cb -0.01 -3.92 -0.02 0.00 0.03 0.00 0.00 33.47 29.55 2k45 s TRP 120 CO -0.03 -1.29 -0.10 0.50 0.96 0.00 0.00 176.95 176.99 2k45 s ARG 121 N 3.03 3.07 0.10 4.98 6.06 -0.85 -4.93 118.95 130.40 2k45 s ARG 121 Ca 0.16 -0.63 -0.16 0.00 -2.50 0.00 0.00 55.73 52.60 2k45 s ARG 121 Cb -0.20 -2.61 -0.07 0.00 0.06 0.00 0.00 34.95 32.13 2k45 s ARG 121 CO 0.10 0.43 0.54 0.16 -2.50 0.00 0.00 175.30 174.03 2k45 s ASP 122 N -0.19 6.92 -0.14 -2.12 1.47 -1.26 0.13 116.67 121.48 2k45 s ASP 122 Ca 0.01 1.14 -0.29 0.00 1.18 0.00 0.00 52.55 54.59 2k45 s ASP 122 Cb -0.13 -2.31 -0.01 0.00 -0.34 0.00 0.00 42.92 40.13 2k45 s ASP 122 CO 0.03 0.19 0.98 -0.76 0.68 0.00 0.00 175.17 176.29 2k45 s LEU 123 N -1.55 4.21 -0.09 2.11 2.01 0.38 -4.71 118.68 121.05 2k45 s LEU 123 Ca 0.33 1.44 -0.11 0.00 0.01 0.00 0.00 54.13 55.80 2k45 s LEU 123 Cb -0.17 -3.49 -0.05 0.00 0.01 0.00 0.00 46.19 42.49 2k45 s LEU 123 CO 0.18 -0.47 0.25 0.00 1.01 0.00 0.00 176.35 177.32 2k45 s GLN 124 N 2.22 3.76 -0.28 1.70 -2.07 0.77 -0.15 119.66 125.62 2k45 s GLN 124 Ca 0.46 0.07 -0.29 0.00 -1.82 0.00 0.00 55.36 53.78 2k45 s GLN 124 Cb -0.17 -3.25 -0.02 0.00 -1.09 0.00 0.00 33.01 28.48 2k45 s GLN 124 CO 0.15 0.64 1.59 0.45 -1.32 0.00 0.00 175.29 176.80 2k45 s SER 125 N -0.73 6.31 -0.09 12.60 0.15 -1.26 0.17 113.70 130.85 2k45 s SER 125 Ca 0.18 1.41 -0.06 0.00 0.70 0.00 0.00 55.95 58.17 2k45 s SER 125 Cb -0.14 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 2k45 s SER 125 CO 0.07 -1.35 0.15 0.00 1.20 0.00 0.00 173.24 173.31 2k45 s ALA 126 N 5.47 3.90 -0.70 5.45 0.00 -1.24 -4.74 121.76 129.89 2k45 s ALA 126 Ca 0.70 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 2k45 s ALA 126 Cb -0.22 -1.94 0.18 0.00 0.00 0.00 0.00 23.12 21.14 2k45 s ALA 126 CO 0.30 0.66 0.54 -2.00 0.00 0.00 0.00 175.76 175.25 2k45 s GLU 127 N -1.31 2.76 0.00 0.00 2.12 -1.26 -4.61 118.70 116.40 2k45 s GLU 127 Ca 0.19 -2.78 0.14 0.00 0.36 0.00 0.00 54.97 52.88 2k45 s GLU 127 Cb -0.12 -3.78 0.11 0.00 0.26 0.00 0.00 34.13 30.60 2k45 s GLU 127 CO 0.08 -1.20 0.94 1.63 -0.54 0.00 0.00 175.26 176.17