#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 0.21 0.08 3.44 0.00 -1.26 -4.65 119.74 117.56 2k45 s LYS 2 Ca 0.00 -0.11 0.26 0.00 0.00 0.00 0.00 55.97 56.12 2k45 s LYS 2 Cb 0.00 0.02 0.70 0.00 0.00 0.00 0.00 37.83 38.54 2k45 s LYS 2 CO 0.00 -0.30 1.58 1.28 0.00 0.00 0.00 175.35 177.92 2k45 n LEU 3 N 3.45 0.50 0.00 2.77 4.32 0.61 -4.81 117.00 123.84 2k45 n LEU 3 Ca 0.07 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.37 2k45 n LEU 3 Cb 0.63 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 2k45 n LEU 3 CO -0.11 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 176.65 2k45 n GLY 4 N 1.41 -1.87 3.15 -0.72 0.00 -1.24 -3.18 105.19 102.73 2k45 n GLY 4 Ca 0.05 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 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 0.70 -0.24 1.61 1.02 -1.21 -0.50 119.74 121.12 2k45 s LYS 5 Ca 0.00 -0.95 -0.00 0.00 0.02 0.00 0.00 55.97 55.04 2k45 s LYS 5 Cb 0.00 0.27 0.07 0.00 -0.52 0.00 0.00 37.83 37.65 2k45 s LYS 5 CO 0.00 -0.19 -0.00 -0.48 -0.92 0.00 0.00 175.35 173.76 2k45 s LEU 6 N -2.61 2.25 -0.35 3.17 2.34 0.38 -0.53 118.68 123.34 2k45 s LEU 6 Ca 0.02 -1.20 -0.17 0.00 0.06 0.00 0.00 54.13 52.84 2k45 s LEU 6 Cb 0.04 -0.99 -0.01 0.00 -0.56 0.00 0.00 46.19 44.66 2k45 s LEU 6 CO -0.08 -0.29 0.44 0.00 -1.06 0.00 0.00 176.35 175.35 2k45 s GLN 7 N 1.53 3.58 0.00 1.48 0.00 -0.36 -2.36 119.66 123.53 2k45 s GLN 7 Ca -0.01 -0.30 0.00 0.00 -0.00 0.00 0.00 55.36 55.05 2k45 s GLN 7 Cb -0.18 -3.81 0.00 0.00 0.00 0.00 0.00 33.01 29.02 2k45 s GLN 7 CO -0.10 -0.59 0.00 0.98 0.00 0.00 0.00 175.29 175.59 2k45 n TYR 8 N 5.56 -0.26 -3.71 9.60 9.36 -1.12 -2.96 117.16 133.63 2k45 n TYR 8 Ca -0.07 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.90 2k45 n TYR 8 Cb 0.49 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 39.03 2k45 n TYR 8 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2k45 s SER 9 N 0.73 2.26 -0.14 2.98 0.01 -1.26 -0.89 113.70 117.40 2k45 s SER 9 Ca 0.00 -0.50 -0.07 0.00 1.31 0.00 0.00 55.95 56.70 2k45 s SER 9 Cb 0.00 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 2k45 s SER 9 CO 0.00 -0.28 0.10 -0.76 0.41 0.00 0.00 173.24 172.70 2k45 s LEU 10 N 1.99 4.09 0.39 2.44 2.01 0.26 -4.83 118.68 125.03 2k45 s LEU 10 Ca 0.02 0.29 0.04 0.00 0.01 0.00 0.00 54.13 54.49 2k45 s LEU 10 Cb -0.15 -2.00 -0.05 0.00 0.01 0.00 0.00 46.19 44.00 2k45 s LEU 10 CO -0.07 0.32 0.06 -0.62 1.01 0.00 0.00 176.35 177.04 2k45 s ASP 11 N -0.49 3.05 -0.06 2.29 2.15 0.81 0.77 116.67 125.19 2k45 s ASP 11 Ca 0.11 -1.49 -0.03 0.00 0.43 0.00 0.00 52.55 51.57 2k45 s ASP 11 Cb -0.12 0.10 0.04 0.00 -0.30 0.00 0.00 42.92 42.64 2k45 s ASP 11 CO 0.02 -0.69 0.11 -0.47 -0.17 0.00 0.00 175.17 173.96 2k45 s TYR 12 N -3.10 -0.07 -0.19 -5.34 5.04 -1.19 0.18 117.35 112.68 2k45 s TYR 12 Ca 0.28 0.43 -0.12 0.00 -2.44 0.00 0.00 57.07 55.22 2k45 s TYR 12 Cb 0.06 -0.34 -0.05 0.00 0.35 0.00 0.00 41.96 41.99 2k45 s TYR 12 CO 0.14 -0.22 0.21 0.34 -1.34 0.00 0.00 175.55 174.68 2k45 s ASP 13 N 2.09 6.29 -0.04 4.32 -1.08 -0.21 -4.94 116.67 123.10 2k45 s ASP 13 Ca 0.02 0.33 0.15 0.00 -0.52 0.00 0.00 52.55 52.53 2k45 s ASP 13 Cb -0.12 -2.13 -0.21 0.00 -1.46 0.00 0.00 42.92 38.99 2k45 s ASP 13 CO -0.04 0.12 0.59 2.22 0.52 0.00 0.00 175.17 178.58 2k45 n PHE 14 N 3.71 0.78 0.03 -5.34 1.16 -1.26 -1.19 117.46 115.35 2k45 n PHE 14 Ca -0.14 0.28 0.08 0.00 -1.87 0.00 0.00 57.45 55.80 2k45 n PHE 14 Cb 0.52 -1.10 0.27 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 -2.92 2.75 0.00 3.97 0.00 -1.26 -1.66 117.38 118.26 2k45 n GLN 15 Ca -0.17 -2.14 0.06 0.00 0.00 0.00 0.00 57.00 54.75 2k45 n GLN 15 Cb 1.00 -1.61 0.03 0.00 0.00 0.00 0.00 30.24 29.66 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 0.98 1.72 -3.66 2.61 0.23 -1.25 -5.03 115.26 110.86 2k45 n ASN 16 Ca 0.20 -1.36 -0.25 0.00 -0.53 0.00 0.00 54.58 52.63 2k45 n ASN 16 Cb 0.61 0.19 0.04 0.00 -2.08 0.00 0.00 39.78 38.54 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 0.31 -3.60 -3.92 0.53 4.05 -0.66 -4.90 115.26 107.07 2k45 n ASN 17 Ca 0.06 -0.91 -0.10 0.00 0.45 0.00 0.00 54.58 54.07 2k45 n ASN 17 Cb 0.28 -3.80 -0.11 0.00 1.23 0.00 0.00 39.78 37.38 2k45 n ASN 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k45 s GLN 18 N -5.83 0.35 0.21 1.20 1.03 -0.33 -2.08 119.66 114.21 2k45 s GLN 18 Ca 0.27 -0.43 -0.24 0.00 0.04 0.00 0.00 55.36 55.00 2k45 s GLN 18 Cb -0.08 0.14 -0.08 0.00 0.03 0.00 0.00 33.01 33.01 2k45 s GLN 18 CO 0.83 -0.07 0.81 -0.51 -2.54 0.00 0.00 175.29 173.81 2k45 s LEU 19 N -1.22 4.49 -0.15 2.60 1.43 -0.80 -1.05 118.68 123.99 2k45 s LEU 19 Ca -0.13 1.65 -0.04 0.00 -1.03 0.00 0.00 54.13 54.58 2k45 s LEU 19 Cb -0.08 -3.52 0.06 0.00 0.03 0.00 0.00 46.19 42.68 2k45 s LEU 19 CO 0.00 0.11 0.14 -0.22 0.23 0.00 0.00 176.35 176.61 2k45 s LEU 20 N -1.52 0.11 -0.30 1.79 1.98 0.47 0.22 118.68 121.44 2k45 s LEU 20 Ca 0.41 -0.24 -0.04 0.00 -2.89 0.00 0.00 54.13 51.37 2k45 s LEU 20 Cb -0.21 0.05 0.18 0.00 0.66 0.00 0.00 46.19 46.87 2k45 s LEU 20 CO 0.25 -0.31 0.64 -0.69 -1.89 0.00 0.00 176.35 174.35 2k45 s VAL 21 N 2.23 -0.96 -0.68 1.68 1.01 -1.24 -0.13 120.40 122.31 2k45 s VAL 21 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.76 2k45 s VAL 21 Cb -0.15 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.27 2k45 s VAL 21 CO -0.09 0.00 1.15 -0.83 0.00 0.00 0.00 175.10 175.34 2k45 s GLY 22 N 2.86 1.09 0.00 4.51 0.00 -1.25 -3.09 107.32 111.45 2k45 s GLY 22 Ca 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2k45 s GLY 22 CO -0.20 2.42 0.00 0.29 0.00 0.00 0.00 173.10 175.61 2k45 n ILE 23 N 6.28 0.00 0.00 0.90 -0.00 -1.13 -4.37 119.36 121.05 2k45 n ILE 23 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 2k45 n ILE 23 Cb 0.48 -0.10 0.00 0.00 -0.00 0.00 0.00 39.64 40.01 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 -0.07 0.00 -3.70 7.28 2.08 -1.16 -2.81 119.36 120.98 2k45 n ILE 24 Ca 0.00 0.12 -0.13 0.00 0.56 0.00 0.00 62.75 63.29 2k45 n ILE 24 Cb 0.00 -1.02 -0.09 0.00 -0.75 0.00 0.00 39.64 37.77 2k45 n ILE 24 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2k45 s GLN 25 N -0.73 0.59 0.02 0.38 -0.44 -1.26 0.53 119.66 118.75 2k45 s GLN 25 Ca 0.00 0.67 0.05 0.00 -2.50 0.00 0.00 55.36 53.58 2k45 s GLN 25 Cb 0.00 0.29 -0.03 0.00 -1.64 0.00 0.00 33.01 31.62 2k45 s GLN 25 CO 0.00 -0.07 -0.13 0.00 0.50 0.00 0.00 175.29 175.59 2k45 s ALA 26 N 0.21 2.79 -0.08 1.58 0.00 -1.03 -1.22 121.76 124.02 2k45 s ALA 26 Ca -0.00 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2k45 s ALA 26 Cb -0.03 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.18 2k45 s ALA 26 CO 0.01 0.59 -0.13 0.00 0.00 0.00 0.00 175.76 176.23 2k45 s ALA 27 N -0.96 1.38 -0.82 0.00 0.00 0.31 -2.61 121.76 119.05 2k45 s ALA 27 Ca 0.16 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 2k45 s ALA 27 Cb -0.11 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.38 2k45 s ALA 27 CO 0.06 0.07 0.69 0.39 0.00 0.00 0.00 175.76 176.98 2k45 n GLU 28 N 3.90 -4.57 -3.66 0.00 1.02 0.16 -3.30 120.64 114.20 2k45 n GLU 28 Ca -0.22 0.57 -0.37 0.00 -0.02 0.00 0.00 57.16 57.12 2k45 n GLU 28 Cb 0.52 -4.77 -0.06 0.00 -0.02 0.00 0.00 31.44 27.10 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 -4.97 4.37 0.39 -4.62 1.43 0.19 -4.41 118.68 111.06 2k45 s LEU 29 Ca 0.05 0.62 -0.23 0.00 -1.03 0.00 0.00 54.13 53.54 2k45 s LEU 29 Cb -0.02 -2.32 -0.13 0.00 0.03 0.00 0.00 46.19 43.75 2k45 s LEU 29 CO 0.49 0.29 0.62 -2.65 0.23 0.00 0.00 176.35 175.33 2k45 n PRO 30 N 2.44 0.66 -2.77 1.29 -0.02 -1.26 -4.55 135.00 130.80 2k45 n PRO 30 Ca -0.16 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 2k45 n PRO 30 Cb 0.53 -1.54 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.38 3.35 -0.31 3.55 0.00 -1.26 -4.60 121.76 121.11 2k45 s ALA 31 Ca 0.63 0.33 0.10 0.00 0.00 0.00 0.00 51.96 53.03 2k45 s ALA 31 Cb -0.63 -3.33 0.46 0.00 0.00 0.00 0.00 23.12 19.63 2k45 s ALA 31 CO 0.58 -0.46 1.15 1.28 0.00 0.00 0.00 175.76 178.31 2k45 n LEU 32 N 4.63 4.07 -3.98 0.00 7.99 -0.87 -4.84 117.00 124.01 2k45 n LEU 32 Ca 0.06 -4.44 -0.08 0.00 -0.01 0.00 0.00 56.01 51.54 2k45 n LEU 32 Cb 0.50 -0.16 -0.09 0.00 -0.11 0.00 0.00 43.42 43.55 2k45 n LEU 32 CO 0.51 1.90 -0.25 -0.62 -1.51 0.00 0.00 177.39 177.42 2k45 s ASP 33 N -3.60 0.29 -1.41 -1.43 2.15 -0.54 -4.29 116.67 107.83 2k45 s ASP 33 Ca 0.45 -0.75 -0.13 0.00 0.43 0.00 0.00 52.55 52.55 2k45 s ASP 33 Cb 0.39 0.24 -0.03 0.00 -0.30 0.00 0.00 42.92 43.22 2k45 s ASP 33 CO -0.01 -0.59 2.44 0.80 -0.17 0.00 0.00 175.17 177.64 2k45 n MET 34 N 0.34 2.95 -0.04 4.34 0.00 -1.26 -2.83 117.12 120.62 2k45 n MET 34 Ca -0.16 -2.31 0.00 0.00 -0.00 0.00 0.00 57.70 55.23 2k45 n MET 34 Cb 0.60 -3.03 0.00 0.00 0.00 0.00 0.00 33.22 30.80 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 3.94 0.11 3.63 -5.12 0.00 -1.26 -4.97 105.19 101.51 2k45 n GLY 35 Ca 0.60 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.35 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 3.28 -0.02 0.00 -1.13 -4.97 105.19 101.85 2k45 n GLY 36 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.19 0.06 0.25 2.61 -4.23 -1.26 -4.88 115.64 105.01 2k45 s THR 37 Ca 0.55 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.11 2k45 s THR 37 Cb -0.27 -2.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 2k45 s THR 37 CO 0.67 0.00 -0.03 -0.94 -0.54 0.00 0.00 174.62 173.78 2k45 s SER 38 N -3.33 2.31 -0.70 3.99 1.04 -1.23 -1.47 113.70 114.30 2k45 s SER 38 Ca 0.39 -1.20 0.05 0.00 0.48 0.00 0.00 55.95 55.66 2k45 s SER 38 Cb 0.04 -0.08 0.24 0.00 0.10 0.00 0.00 66.02 66.32 2k45 s SER 38 CO 0.22 -0.42 0.78 0.47 0.98 0.00 0.00 173.24 175.27 2k45 n ASP 39 N -0.50 3.94 -4.74 7.02 9.92 -1.26 -0.25 116.55 130.68 2k45 n ASP 39 Ca -0.05 -3.40 -0.42 0.00 -0.53 0.00 0.00 54.79 50.39 2k45 n ASP 39 Cb 0.64 -0.76 -0.01 0.00 -0.64 0.00 0.00 41.12 40.35 2k45 n ASP 39 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2k45 n PRO 40 N 1.11 2.46 -3.67 -0.24 -0.02 -1.23 -2.54 135.00 130.87 2k45 n PRO 40 Ca 0.28 0.87 -0.12 0.00 -2.02 0.00 0.00 63.50 62.50 2k45 n PRO 40 Cb 0.39 -2.55 -0.08 0.00 -0.02 0.00 0.00 33.50 31.24 2k45 n PRO 40 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2k45 s TYR 41 N -0.90 -0.69 -0.20 6.00 6.14 -1.06 -3.44 117.35 123.20 2k45 s TYR 41 Ca 0.56 1.60 -0.18 0.00 0.64 0.00 0.00 57.07 59.70 2k45 s TYR 41 Cb -0.52 0.28 -0.03 0.00 0.42 0.00 0.00 41.96 42.11 2k45 s TYR 41 CO 0.60 -0.34 0.48 0.14 0.64 0.00 0.00 175.55 177.07 2k45 s VAL 42 N 0.62 5.13 -0.36 3.14 -7.23 -1.26 0.85 120.40 121.29 2k45 s VAL 42 Ca -0.03 0.87 -0.26 0.00 -1.81 0.00 0.00 61.98 60.76 2k45 s VAL 42 Cb -0.05 -3.81 0.01 0.00 0.56 0.00 0.00 36.38 33.10 2k45 s VAL 42 CO -0.04 0.19 0.94 -0.54 -0.31 0.00 0.00 175.10 175.35 2k45 s LYS 43 N 1.57 3.87 -0.29 4.82 1.02 0.29 -3.48 119.74 127.54 2k45 s LYS 43 Ca 0.22 0.64 -0.11 0.00 0.02 0.00 0.00 55.97 56.74 2k45 s LYS 43 Cb -0.15 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 2k45 s LYS 43 CO 0.09 -0.94 0.18 0.08 -0.92 0.00 0.00 175.35 173.85 2k45 s VAL 44 N 3.48 5.11 0.24 3.17 1.01 -1.25 0.10 120.40 132.27 2k45 s VAL 44 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 2k45 s VAL 44 Cb -0.12 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2k45 s VAL 44 CO 0.18 0.20 0.25 -0.36 0.00 0.00 0.00 175.10 175.38 2k45 s PHE 45 N 1.72 1.08 0.18 5.22 0.40 -0.66 -3.20 117.98 122.72 2k45 s PHE 45 Ca 0.07 -1.28 0.07 0.00 -0.60 0.00 0.00 56.93 55.18 2k45 s PHE 45 Cb -0.16 -0.38 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 2k45 s PHE 45 CO 0.09 -0.79 -0.14 -0.51 0.70 0.00 0.00 175.22 174.57 2k45 s LEU 46 N -3.17 2.52 0.26 -0.37 1.02 -1.26 -1.61 118.68 116.08 2k45 s LEU 46 Ca 0.35 -0.98 -0.29 0.00 0.02 0.00 0.00 54.13 53.23 2k45 s LEU 46 Cb 0.04 -0.61 -0.09 0.00 0.02 0.00 0.00 46.19 45.54 2k45 s LEU 46 CO 0.14 -0.18 0.95 -0.22 0.02 0.00 0.00 176.35 177.06 2k45 s LEU 47 N -3.12 4.57 0.00 1.79 2.96 -0.74 -4.22 118.68 119.93 2k45 s LEU 47 Ca 0.19 1.93 0.00 0.00 -0.22 0.00 0.00 54.13 56.04 2k45 s LEU 47 Cb -0.01 -3.71 0.00 0.00 0.50 0.00 0.00 46.19 42.97 2k45 s LEU 47 CO 0.05 0.09 0.00 -2.65 -1.32 0.00 0.00 176.35 172.53 2k45 n PRO 48 N 1.26 0.00 -0.02 0.98 -0.02 -1.26 -4.03 135.00 131.91 2k45 n PRO 48 Ca -0.01 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.46 2k45 n PRO 48 Cb 0.48 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 -5.30 2.55 1.82 -1.97 -3.49 116.42 110.03 2k45 h ASP 49 Ca 0.00 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.37 2k45 h ASP 49 Cb 0.00 0.00 0.17 0.00 0.68 0.00 0.00 39.33 40.18 2k45 h ASP 49 CO 0.00 0.18 -0.74 1.17 -1.61 0.00 0.00 179.24 178.24 2k45 n LYS 50 N -2.83 -4.28 -0.58 0.28 0.00 -1.26 -4.88 118.16 104.62 2k45 n LYS 50 Ca -0.01 0.79 -0.10 0.00 0.00 0.00 0.00 58.31 58.98 2k45 n LYS 50 Cb 0.05 -5.54 0.06 0.00 0.00 0.00 0.00 35.03 29.60 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 -3.52 1.53 -3.46 1.64 5.02 -1.26 -4.77 118.16 113.35 2k45 n LYS 51 Ca -0.18 -1.19 -0.25 0.00 -2.02 0.00 0.00 58.31 54.68 2k45 n LYS 51 Cb 0.64 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.33 0.43 -0.68 1.97 1.02 -1.26 -4.44 119.74 115.44 2k45 s LYS 52 Ca 0.23 -0.84 -0.23 0.00 0.02 0.00 0.00 55.97 55.15 2k45 s LYS 52 Cb 0.19 -1.06 0.07 0.00 -0.52 0.00 0.00 37.83 36.51 2k45 s LYS 52 CO 0.03 -1.13 1.01 0.21 -0.92 0.00 0.00 175.35 174.55 2k45 s LYS 53 N 1.62 3.14 0.19 1.68 2.20 -1.26 -4.29 119.74 123.02 2k45 s LYS 53 Ca 0.14 -0.79 0.06 0.00 -0.36 0.00 0.00 55.97 55.02 2k45 s LYS 53 Cb -0.18 -4.26 -0.04 0.00 -1.51 0.00 0.00 37.83 31.84 2k45 s LYS 53 CO -0.16 -1.86 0.11 0.12 -0.36 0.00 0.00 175.35 173.20 2k45 s PHE 54 N 4.24 3.04 -0.24 4.03 5.36 -1.20 -5.00 117.98 128.21 2k45 s PHE 54 Ca 0.24 -0.08 -0.03 0.00 -0.96 0.00 0.00 56.93 56.11 2k45 s PHE 54 Cb -0.15 -1.44 0.13 0.00 -0.34 0.00 0.00 43.02 41.22 2k45 s PHE 54 CO 0.10 0.53 0.35 -2.00 -1.46 0.00 0.00 175.22 172.73 2k45 s GLU 55 N -3.27 0.32 0.82 10.12 2.12 -1.26 -3.85 118.70 123.71 2k45 s GLU 55 Ca 0.31 0.43 -0.11 0.00 0.36 0.00 0.00 54.97 55.96 2k45 s GLU 55 Cb -0.09 -0.61 0.09 0.00 0.26 0.00 0.00 34.13 33.77 2k45 s GLU 55 CO 0.22 -0.68 1.09 0.95 -0.54 0.00 0.00 175.26 176.31 2k45 s THR 56 N 2.50 3.05 0.40 -1.70 -4.23 -1.23 -5.03 115.64 109.40 2k45 s THR 56 Ca 0.11 0.34 -0.26 0.00 -1.18 0.00 0.00 61.69 60.70 2k45 s THR 56 Cb -0.15 -2.84 -0.09 0.00 1.34 0.00 0.00 72.50 70.76 2k45 s THR 56 CO -0.16 -0.44 1.31 -0.75 -0.54 0.00 0.00 174.62 174.03 2k45 s LYS 57 N -4.93 4.00 -0.02 3.99 2.47 -1.26 -4.92 119.74 119.07 2k45 s LYS 57 Ca 0.62 2.18 -0.30 0.00 -1.56 0.00 0.00 55.97 56.91 2k45 s LYS 57 Cb -0.17 -2.79 -0.03 0.00 -1.46 0.00 0.00 37.83 33.37 2k45 s LYS 57 CO 0.56 -0.47 1.10 0.54 0.16 0.00 0.00 175.35 177.24 2k45 s VAL 58 N -1.25 4.46 -0.75 4.02 0.11 -1.26 -4.74 120.40 120.99 2k45 s VAL 58 Ca 0.56 1.76 -0.08 0.00 -2.93 0.00 0.00 61.98 61.29 2k45 s VAL 58 Cb -0.38 -4.13 0.20 0.00 -1.53 0.00 0.00 36.38 30.53 2k45 s VAL 58 CO 0.50 0.08 0.64 -1.00 -3.33 0.00 0.00 175.10 171.98 2k45 s HIS 59 N 1.53 3.62 0.09 1.54 0.09 -1.22 -5.02 115.29 115.91 2k45 s HIS 59 Ca 0.54 -2.40 -0.31 0.00 -0.00 0.00 0.00 55.06 52.90 2k45 s HIS 59 Cb -0.24 -3.51 -0.08 0.00 -0.00 0.00 0.00 32.58 28.75 2k45 s HIS 59 CO 0.25 -0.91 1.44 -0.98 -0.00 0.00 0.00 174.74 174.54 2k45 s ARG 60 N -0.08 4.29 -0.71 1.40 1.04 -1.26 -3.54 118.95 120.09 2k45 s ARG 60 Ca 0.18 2.10 -0.01 0.00 -1.04 0.00 0.00 55.73 56.97 2k45 s ARG 60 Cb -0.14 -3.36 -0.01 0.00 -2.04 0.00 0.00 34.95 29.40 2k45 s ARG 60 CO -0.07 -0.52 0.60 1.63 -0.04 0.00 0.00 175.30 176.90 2k45 n LYS 61 N 4.48 -3.45 -3.70 3.89 4.76 -0.97 -4.96 118.16 118.20 2k45 n LYS 61 Ca 0.13 0.52 -0.11 0.00 -2.87 0.00 0.00 58.31 55.98 2k45 n LYS 61 Cb 0.42 -4.46 -0.11 0.00 -1.84 0.00 0.00 35.03 29.04 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 -3.22 -0.06 -1.21 -0.18 -4.23 0.65 -4.81 115.64 102.57 2k45 s THR 62 Ca 0.06 0.11 0.30 0.00 -1.18 0.00 0.00 61.69 60.97 2k45 s THR 62 Cb -0.01 -0.58 0.38 0.00 1.34 0.00 0.00 72.50 73.63 2k45 s THR 62 CO 0.45 0.04 1.99 0.18 -0.54 0.00 0.00 174.62 176.74 2k45 n LEU 63 N 4.33 0.01 -3.32 4.79 4.32 -1.26 -3.56 117.00 122.31 2k45 n LEU 63 Ca -0.23 0.39 -0.26 0.00 -0.02 0.00 0.00 56.01 55.90 2k45 n LEU 63 Cb 0.55 -0.39 -0.08 0.00 -1.62 0.00 0.00 43.42 41.87 2k45 n LEU 63 CO 0.08 0.00 -0.27 -3.20 -1.22 0.00 0.00 177.39 172.79 2k45 n ASN 64 N -1.39 0.30 -4.80 -1.43 4.05 -1.26 0.53 115.26 111.26 2k45 n ASN 64 Ca 0.11 -2.64 -0.22 0.00 0.45 0.00 0.00 54.58 52.27 2k45 n ASN 64 Cb 0.29 -0.61 0.10 0.00 1.23 0.00 0.00 39.78 40.79 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 -0.80 1.82 -0.14 1.20 0.04 -1.07 -4.92 135.00 131.12 2k45 s PRO 65 Ca 0.34 -1.44 0.01 0.00 0.04 0.00 0.00 61.00 59.95 2k45 s PRO 65 Cb 0.11 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 32.21 2k45 s PRO 65 CO -0.14 -1.31 -0.16 0.14 0.04 0.00 0.00 177.00 175.57 2k45 s VAL 66 N -2.99 1.65 -0.08 -0.36 -7.23 -1.26 -2.46 120.40 107.66 2k45 s VAL 66 Ca 0.66 -0.70 -0.27 0.00 -1.81 0.00 0.00 61.98 59.86 2k45 s VAL 66 Cb -0.04 -1.52 -0.23 0.00 0.56 0.00 0.00 36.38 35.14 2k45 s VAL 66 CO 0.43 0.47 1.00 -0.26 -0.31 0.00 0.00 175.10 176.43 2k45 h PHE 67 N 7.82 0.04 -7.01 2.82 0.04 -0.49 -3.46 116.94 116.71 2k45 h PHE 67 Ca -0.37 -0.02 -0.59 0.00 2.80 0.00 0.00 57.97 59.79 2k45 h PHE 67 Cb 1.15 -0.01 -0.09 0.00 2.20 0.00 0.00 35.95 39.21 2k45 h PHE 67 CO 0.47 0.80 -0.97 0.27 -0.60 0.00 0.00 178.31 178.28 2k45 n ASN 68 N -4.68 -2.16 -3.88 2.17 6.94 0.19 -4.82 115.26 109.01 2k45 n ASN 68 Ca -0.09 -1.26 -0.26 0.00 -0.02 0.00 0.00 54.58 52.94 2k45 n ASN 68 Cb 0.40 -1.53 -0.17 0.00 -2.36 0.00 0.00 39.78 36.11 2k45 n ASN 68 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2k45 s GLU 69 N -7.37 1.32 -0.39 -3.83 0.41 -1.21 -4.86 118.70 102.78 2k45 s GLU 69 Ca 0.31 -0.17 -0.29 0.00 -0.41 0.00 0.00 54.97 54.40 2k45 s GLU 69 Cb -0.17 -1.45 0.01 0.00 -1.78 0.00 0.00 34.13 30.74 2k45 s GLU 69 CO 0.96 -0.27 1.27 -1.14 -0.49 0.00 0.00 175.26 175.58 2k45 s GLN 70 N 1.76 3.78 -0.50 1.61 -0.44 -1.26 -2.82 119.66 121.78 2k45 s GLN 70 Ca 0.05 0.94 -0.15 0.00 -2.50 0.00 0.00 55.36 53.70 2k45 s GLN 70 Cb -0.12 -3.92 0.10 0.00 -1.64 0.00 0.00 33.01 27.43 2k45 s GLN 70 CO -0.07 -1.30 0.44 -0.59 0.50 0.00 0.00 175.29 174.26 2k45 s PHE 71 N 4.64 3.26 0.19 1.67 -0.71 -1.18 -4.78 117.98 121.07 2k45 s PHE 71 Ca 0.54 -1.16 -0.32 0.00 -1.04 0.00 0.00 56.93 54.96 2k45 s PHE 71 Cb -0.13 -3.49 -0.11 0.00 -1.21 0.00 0.00 43.02 38.08 2k45 s PHE 71 CO 0.27 -0.92 1.69 0.99 -1.34 0.00 0.00 175.22 175.92 2k45 s THR 72 N 1.60 2.22 -0.31 -4.49 2.01 -1.26 -3.62 115.64 111.79 2k45 s THR 72 Ca 0.04 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 2k45 s THR 72 Cb -0.27 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.19 2k45 s THR 72 CO 0.04 0.01 0.06 0.12 -0.69 0.00 0.00 174.62 174.17 2k45 s PHE 73 N 1.27 3.22 -1.31 4.92 2.19 0.13 -4.98 117.98 123.42 2k45 s PHE 73 Ca 0.74 -1.43 -0.06 0.00 0.33 0.00 0.00 56.93 56.50 2k45 s PHE 73 Cb -0.48 -2.22 0.14 0.00 -1.31 0.00 0.00 43.02 39.15 2k45 s PHE 73 CO 0.32 -0.71 2.23 1.63 1.83 0.00 0.00 175.22 180.52 2k45 n LYS 74 N 4.77 4.34 -3.68 10.12 4.76 -1.26 -1.90 118.16 135.30 2k45 n LYS 74 Ca -0.13 -3.50 -0.15 0.00 -2.87 0.00 0.00 58.31 51.65 2k45 n LYS 74 Cb 0.45 -2.71 -0.15 0.00 -1.84 0.00 0.00 35.03 30.79 2k45 n LYS 74 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k45 s VAL 75 N -0.78 -0.25 0.59 -0.18 1.01 -1.26 -4.69 120.40 114.84 2k45 s VAL 75 Ca 0.50 0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.58 2k45 s VAL 75 Cb 0.16 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 36.16 2k45 s VAL 75 CO -0.06 0.12 1.05 -2.65 0.00 0.00 0.00 175.10 173.56 2k45 n PRO 76 N 5.08 1.03 -0.03 2.72 -0.02 -0.88 -4.33 135.00 138.56 2k45 n PRO 76 Ca -0.10 0.39 -0.02 0.00 -2.02 0.00 0.00 63.50 61.76 2k45 n PRO 76 Cb 0.50 -2.25 0.25 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.64 0.63 -0.76 6.00 -0.00 -1.97 0.71 116.97 122.22 2k45 h TYR 77 Ca -0.49 -0.08 0.06 0.00 -0.00 0.00 0.00 58.73 58.22 2k45 h TYR 77 Cb 1.35 -0.18 -0.05 0.00 -0.00 0.00 0.00 36.73 37.86 2k45 h TYR 77 CO 0.39 0.62 0.50 1.03 -0.00 0.00 0.00 178.16 180.70 2k45 h SER 78 N 0.57 0.74 1.16 0.10 0.87 -1.97 -2.14 113.55 112.87 2k45 h SER 78 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2k45 h SER 78 Cb 0.40 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2k45 h SER 78 CO 0.02 0.48 -0.78 -0.33 -0.53 0.00 0.00 176.83 175.69 2k45 h GLU 79 N 0.84 0.00 -0.57 2.24 5.08 -1.19 -3.33 114.58 117.65 2k45 h GLU 79 Ca 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2k45 h GLU 79 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2k45 h GLU 79 CO -0.11 0.00 0.31 1.25 -1.00 0.00 0.00 179.01 179.47 2k45 h LEU 80 N 0.00 0.69 -0.82 1.33 6.46 0.98 -2.97 115.31 120.98 2k45 h LEU 80 Ca 0.00 -0.05 0.20 0.00 -0.12 0.00 0.00 57.88 57.91 2k45 h LEU 80 Cb 0.97 -0.18 -0.14 0.00 -0.73 0.00 0.00 40.66 40.58 2k45 h LEU 80 CO 0.00 0.56 0.03 1.23 -0.62 0.00 0.00 178.44 179.64 2k45 h GLY 81 N 0.85 0.98 0.82 3.75 0.00 -1.66 -1.79 103.07 106.01 2k45 h GLY 81 Ca 0.20 0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.57 2k45 h GLY 81 CO -0.03 -0.34 -0.13 -1.33 0.00 0.00 0.00 176.54 174.71 2k45 h GLY 82 N 0.10 0.49 -3.18 4.60 0.00 -1.80 -3.28 103.07 99.99 2k45 h GLY 82 Ca 0.47 -0.46 -0.52 0.00 0.00 0.00 0.00 47.33 46.82 2k45 h GLY 82 CO -0.72 0.41 -0.05 0.54 0.00 0.00 0.00 176.54 176.72 2k45 s LYS 83 N -4.51 3.77 -0.22 4.80 3.01 -0.67 -4.86 119.74 121.07 2k45 s LYS 83 Ca -0.14 0.29 0.01 0.00 -1.01 0.00 0.00 55.97 55.12 2k45 s LYS 83 Cb 0.07 -2.57 0.05 0.00 -1.01 0.00 0.00 37.83 34.37 2k45 s LYS 83 CO 0.77 0.20 -0.07 -0.08 0.51 0.00 0.00 175.35 176.67 2k45 s THR 84 N -2.02 1.58 0.10 2.17 -1.32 -1.26 -2.53 115.64 112.35 2k45 s THR 84 Ca 0.48 -1.13 -0.13 0.00 -1.21 0.00 0.00 61.69 59.69 2k45 s THR 84 Cb -0.11 -1.76 -0.06 0.00 -1.51 0.00 0.00 72.50 69.06 2k45 s THR 84 CO 0.25 0.01 0.48 -1.48 -2.21 0.00 0.00 174.62 171.67 2k45 s LEU 85 N 1.39 4.38 0.01 9.08 2.34 0.11 -1.80 118.68 134.20 2k45 s LEU 85 Ca -0.04 0.98 0.07 0.00 0.06 0.00 0.00 54.13 55.20 2k45 s LEU 85 Cb -0.18 -3.04 -0.02 0.00 -0.56 0.00 0.00 46.19 42.39 2k45 s LEU 85 CO -0.07 0.17 -0.20 0.68 -1.06 0.00 0.00 176.35 175.88 2k45 s VAL 86 N -1.35 1.58 0.19 1.48 -7.23 -0.63 0.10 120.40 114.54 2k45 s VAL 86 Ca 0.33 -1.00 0.08 0.00 -1.81 0.00 0.00 61.98 59.58 2k45 s VAL 86 Cb -0.15 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 2k45 s VAL 86 CO 0.18 0.31 -0.00 -0.04 -0.31 0.00 0.00 175.10 175.24 2k45 s MET 87 N -0.81 2.37 -0.13 4.82 -1.94 -1.26 -1.65 119.30 120.70 2k45 s MET 87 Ca 0.07 -1.18 -0.04 0.00 -1.71 0.00 0.00 55.69 52.84 2k45 s MET 87 Cb -0.08 -2.31 0.05 0.00 2.01 0.00 0.00 34.83 34.50 2k45 s MET 87 CO 0.00 0.44 0.08 0.00 -0.01 0.00 0.00 175.02 175.53 2k45 s ALA 88 N -1.84 0.37 -0.31 3.03 0.00 0.29 -0.92 121.76 122.38 2k45 s ALA 88 Ca 0.28 -0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 2k45 s ALA 88 Cb -0.09 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 2k45 s ALA 88 CO 0.19 -0.94 1.51 0.08 0.00 0.00 0.00 175.76 176.59 2k45 s VAL 89 N 2.14 3.83 -0.10 0.00 1.01 -1.11 0.10 120.40 126.28 2k45 s VAL 89 Ca 0.03 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.93 2k45 s VAL 89 Cb -0.15 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2k45 s VAL 89 CO -0.07 -0.48 -0.16 -0.47 0.00 0.00 0.00 175.10 173.92 2k45 s TYR 90 N 5.28 2.71 -0.12 5.22 5.04 0.25 -2.00 117.35 133.73 2k45 s TYR 90 Ca 0.66 -0.61 -0.15 0.00 -2.44 0.00 0.00 57.07 54.53 2k45 s TYR 90 Cb -0.20 -1.75 -0.05 0.00 0.35 0.00 0.00 41.96 40.32 2k45 s TYR 90 CO 0.29 -0.16 0.37 0.34 -1.34 0.00 0.00 175.55 175.06 2k45 s ASP 91 N 0.06 6.58 -0.73 4.32 2.15 -1.23 -2.55 116.67 125.27 2k45 s ASP 91 Ca -0.06 0.69 -0.27 0.00 0.43 0.00 0.00 52.55 53.33 2k45 s ASP 91 Cb -0.15 -2.23 0.03 0.00 -0.30 0.00 0.00 42.92 40.27 2k45 s ASP 91 CO 0.05 0.10 1.27 0.12 -0.17 0.00 0.00 175.17 176.55 2k45 s PHE 92 N 0.26 2.30 -2.33 -5.34 5.36 -1.05 -4.55 117.98 112.64 2k45 s PHE 92 Ca 0.21 -0.02 0.26 0.00 -0.96 0.00 0.00 56.93 56.42 2k45 s PHE 92 Cb -0.14 -4.62 1.11 0.00 -0.34 0.00 0.00 43.02 39.03 2k45 s PHE 92 CO 0.08 -2.05 1.77 -0.25 -1.46 0.00 0.00 175.22 173.31 2k45 n ASP 93 N 9.31 1.19 0.00 6.13 9.92 -1.26 -4.39 116.55 137.46 2k45 n ASP 93 Ca 0.03 -1.47 0.00 0.00 -0.53 0.00 0.00 54.79 52.82 2k45 n ASP 93 Cb 0.49 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 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 -0.04 0.00 0.08 -1.24 1.74 -1.26 -3.01 116.66 112.93 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 0.29 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.78 -1.39 -1.55 -0.00 -1.26 -5.10 117.46 106.38 2k45 n PHE 95 Ca 0.00 0.35 -0.29 0.00 -0.00 0.00 0.00 57.45 57.52 2k45 n PHE 95 Cb 0.00 0.91 0.16 0.00 -0.00 0.00 0.00 39.48 40.55 2k45 n PHE 95 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2k45 s SER 96 N -4.38 3.04 -0.12 -2.13 0.15 -1.16 -4.95 113.70 104.14 2k45 s SER 96 Ca 0.00 1.01 -0.29 0.00 0.70 0.00 0.00 55.95 57.36 2k45 s SER 96 Cb 0.00 -1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 62.69 2k45 s SER 96 CO 0.00 -2.85 1.38 -1.59 1.20 0.00 0.00 173.24 171.38 2k45 s LYS 97 N -5.18 4.22 -0.24 5.44 -2.85 -1.26 -4.66 119.74 115.21 2k45 s LYS 97 Ca 0.65 1.83 -0.29 0.00 -1.00 0.00 0.00 55.97 57.16 2k45 s LYS 97 Cb -0.16 -3.82 -0.02 0.00 -2.06 0.00 0.00 37.83 31.78 2k45 s LYS 97 CO 0.55 -0.74 1.46 -3.38 0.10 0.00 0.00 175.35 173.34 2k45 s HIS 98 N 3.58 2.40 -0.11 1.78 -3.43 -1.26 -4.96 115.29 113.29 2k45 s HIS 98 Ca 0.61 0.70 -0.18 0.00 -0.80 0.00 0.00 55.06 55.39 2k45 s HIS 98 Cb -0.26 -3.91 -0.04 0.00 -1.43 0.00 0.00 32.58 26.94 2k45 s HIS 98 CO 0.20 -2.37 0.47 0.34 -2.00 0.00 0.00 174.74 171.37 2k45 s ASP 99 N 3.41 6.70 -0.03 7.38 2.15 -1.26 -4.94 116.67 130.08 2k45 s ASP 99 Ca 0.64 0.83 -0.30 0.00 0.43 0.00 0.00 52.55 54.15 2k45 s ASP 99 Cb -0.22 -2.28 -0.06 0.00 -0.30 0.00 0.00 42.92 40.06 2k45 s ASP 99 CO 0.25 0.03 1.55 -0.63 -0.17 0.00 0.00 175.17 176.20 2k45 s ILE 100 N 0.49 3.59 0.00 4.11 1.01 -1.26 -3.54 121.20 125.60 2k45 s ILE 100 Ca 0.26 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.76 2k45 s ILE 100 Cb -0.15 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2k45 s ILE 100 CO 0.11 -0.04 0.00 2.30 0.00 0.00 0.00 174.94 177.30 2k45 n ILE 101 N 5.13 0.00 0.00 2.92 -5.35 -0.86 -4.88 119.36 116.31 2k45 n ILE 101 Ca 0.16 0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.88 2k45 n ILE 101 Cb 0.43 -0.81 0.00 0.00 -1.74 0.00 0.00 39.64 37.52 2k45 n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k45 n GLY 102 N 2.22 1.05 3.65 3.28 0.00 -0.85 -3.12 105.19 111.41 2k45 n GLY 102 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 2k45 n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k45 s GLU 103 N -2.00 0.01 -0.30 1.61 4.04 0.31 -2.75 118.70 119.63 2k45 s GLU 103 Ca 0.00 -0.00 -0.16 0.00 0.04 0.00 0.00 54.97 54.84 2k45 s GLU 103 Cb 0.00 0.01 0.17 0.00 0.02 0.00 0.00 34.13 34.33 2k45 s GLU 103 CO 0.00 -0.01 1.06 -0.59 -1.84 0.00 0.00 175.26 173.89 2k45 s PHE 104 N -1.92 -0.49 -0.26 4.83 -0.71 -0.10 -3.74 117.98 115.59 2k45 s PHE 104 Ca 0.12 0.89 -0.05 0.00 -1.04 0.00 0.00 56.93 56.84 2k45 s PHE 104 Cb -0.01 0.30 0.13 0.00 -1.21 0.00 0.00 43.02 42.23 2k45 s PHE 104 CO -0.03 -0.24 0.51 -1.59 -1.34 0.00 0.00 175.22 172.53 2k45 s LYS 105 N 1.98 0.45 -0.33 1.99 0.00 -1.26 -4.65 119.74 117.92 2k45 s LYS 105 Ca -0.04 1.03 -0.05 0.00 0.00 0.00 0.00 55.97 56.91 2k45 s LYS 105 Cb -0.04 0.35 0.19 0.00 0.00 0.00 0.00 37.83 38.32 2k45 s LYS 105 CO -0.16 -0.41 0.91 0.08 0.00 0.00 0.00 175.35 175.77 2k45 s VAL 106 N 2.73 -0.48 -0.38 1.79 1.01 0.28 -4.47 120.40 120.88 2k45 s VAL 106 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 2k45 s VAL 106 Cb -0.13 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.05 2k45 s VAL 106 CO -0.17 0.00 1.27 -2.16 0.00 0.00 0.00 175.10 174.04 2k45 s PRO 107 N 2.36 3.78 0.36 2.72 0.04 -1.26 0.07 135.00 143.07 2k45 s PRO 107 Ca 0.18 0.96 0.15 0.00 0.04 0.00 0.00 61.00 62.33 2k45 s PRO 107 Cb -0.01 -3.92 0.69 0.00 0.04 0.00 0.00 34.50 31.30 2k45 s PRO 107 CO -0.17 -1.30 1.78 0.52 0.04 0.00 0.00 177.00 177.86 2k45 h MET 108 N 9.59 0.00 0.00 4.56 2.86 -1.72 -0.36 114.93 129.86 2k45 h MET 108 Ca -0.25 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 2k45 h MET 108 Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 2k45 h MET 108 CO 1.07 0.41 -0.37 -2.95 1.06 0.00 0.00 176.91 176.13 2k45 h ASN 109 N 0.00 0.00 0.31 1.22 7.08 -1.68 -3.06 115.58 119.44 2k45 h ASN 109 Ca -0.00 0.00 -0.30 0.00 -3.08 0.00 0.00 56.30 52.91 2k45 h ASN 109 Cb 0.78 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.96 2k45 h ASN 109 CO 0.05 0.37 -1.95 0.35 -2.08 0.00 0.00 177.43 174.17 2k45 n THR 110 N -4.06 1.44 -3.31 6.14 -2.24 -0.26 -4.82 114.28 107.17 2k45 n THR 110 Ca -0.02 -0.80 -0.41 0.00 -2.27 0.00 0.00 64.05 60.55 2k45 n THR 110 Cb 0.41 -0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 67.80 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 -2.61 5.08 -0.33 2.28 1.01 -0.51 -5.04 120.40 120.29 2k45 s VAL 111 Ca -0.07 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 2k45 s VAL 111 Cb 0.07 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2k45 s VAL 111 CO 0.83 -0.16 0.89 1.51 0.00 0.00 0.00 175.10 178.17 2k45 s ASP 112 N 1.75 6.71 -1.11 3.32 -4.77 -1.26 -4.77 116.67 116.55 2k45 s ASP 112 Ca 0.16 0.69 -0.04 0.00 -3.30 0.00 0.00 52.55 50.05 2k45 s ASP 112 Cb -0.16 -2.45 0.29 0.00 -1.09 0.00 0.00 42.92 39.50 2k45 s ASP 112 CO 0.12 -0.75 1.62 0.49 0.70 0.00 0.00 175.17 177.35 2k45 n PHE 113 N 6.53 2.40 0.00 2.11 3.72 -1.26 -4.73 117.46 126.24 2k45 n PHE 113 Ca 0.06 -2.60 -0.09 0.00 -0.05 0.00 0.00 57.45 54.77 2k45 n PHE 113 Cb 0.48 -1.35 -0.07 0.00 -0.94 0.00 0.00 39.48 37.59 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 5.58 -0.12 0.00 1.37 0.00 -1.97 -3.45 103.07 104.47 2k45 h GLY 114 Ca 0.29 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2k45 h GLY 114 CO 1.36 -0.04 0.00 1.42 0.00 0.00 0.00 176.54 179.28 2k45 n HIS 115 N -4.81 0.00 -4.58 5.60 8.25 -1.26 -4.86 115.22 113.56 2k45 n HIS 115 Ca -0.07 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.07 2k45 n HIS 115 Cb 0.26 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.21 2k45 n HIS 115 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2k45 s VAL 116 N 1.99 2.05 -0.45 1.59 0.11 -1.26 -3.20 120.40 121.23 2k45 s VAL 116 Ca 0.00 -0.97 -0.21 0.00 -2.93 0.00 0.00 61.98 57.88 2k45 s VAL 116 Cb 0.00 -1.82 0.03 0.00 -1.53 0.00 0.00 36.38 33.06 2k45 s VAL 116 CO 0.00 0.55 0.64 -0.89 -3.33 0.00 0.00 175.10 172.07 2k45 s THR 117 N 0.90 4.83 -0.30 5.04 2.01 0.23 -4.82 115.64 123.53 2k45 s THR 117 Ca -0.05 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 2k45 s THR 117 Cb -0.15 -4.22 0.04 0.00 0.01 0.00 0.00 72.50 68.18 2k45 s THR 117 CO -0.04 -0.62 0.03 -1.61 -0.69 0.00 0.00 174.62 171.69 2k45 s GLU 118 N 2.81 2.61 0.08 4.92 8.01 -1.26 0.90 118.70 136.77 2k45 s GLU 118 Ca 0.22 -1.16 -0.26 0.00 0.01 0.00 0.00 54.97 53.78 2k45 s GLU 118 Cb -0.15 -3.25 0.08 0.00 -4.31 0.00 0.00 34.13 26.50 2k45 s GLU 118 CO 0.18 -0.58 0.81 -1.83 0.01 0.00 0.00 175.26 173.85 2k45 s GLU 119 N 1.33 1.06 -0.52 1.61 -1.05 -0.07 -4.94 118.70 116.12 2k45 s GLU 119 Ca -0.03 -0.44 -0.27 0.00 -0.15 0.00 0.00 54.97 54.08 2k45 s GLU 119 Cb -0.19 0.45 0.03 0.00 -0.44 0.00 0.00 34.13 33.98 2k45 s GLU 119 CO -0.00 -0.47 1.06 -1.58 0.95 0.00 0.00 175.26 175.22 2k45 s TRP 120 N -3.36 2.78 -0.00 4.83 0.23 -1.26 -2.80 118.94 119.35 2k45 s TRP 120 Ca 0.05 0.39 0.03 0.00 -2.03 0.00 0.00 56.10 54.54 2k45 s TRP 120 Cb -0.01 -4.27 -0.03 0.00 0.03 0.00 0.00 33.47 29.19 2k45 s TRP 120 CO -0.07 -1.34 -0.05 0.50 0.96 0.00 0.00 176.95 176.95 2k45 s ARG 121 N 4.32 2.62 0.05 4.98 6.06 -1.00 -4.92 118.95 131.07 2k45 s ARG 121 Ca 0.40 -0.68 -0.13 0.00 -2.50 0.00 0.00 55.73 52.82 2k45 s ARG 121 Cb -0.09 -2.55 -0.06 0.00 0.06 0.00 0.00 34.95 32.31 2k45 s ARG 121 CO 0.26 0.61 0.43 0.16 -2.50 0.00 0.00 175.30 174.26 2k45 s ASP 122 N -1.42 6.75 -0.33 -2.12 1.47 -1.26 0.15 116.67 119.90 2k45 s ASP 122 Ca 0.17 0.92 -0.28 0.00 1.18 0.00 0.00 52.55 54.54 2k45 s ASP 122 Cb -0.11 -2.23 0.02 0.00 -0.34 0.00 0.00 42.92 40.26 2k45 s ASP 122 CO 0.08 0.23 1.05 -0.76 0.68 0.00 0.00 175.17 176.45 2k45 s LEU 123 N -1.53 3.93 -0.06 2.11 2.01 0.34 -4.21 118.68 121.28 2k45 s LEU 123 Ca 0.29 0.96 -0.01 0.00 0.01 0.00 0.00 54.13 55.38 2k45 s LEU 123 Cb -0.15 -3.49 -0.03 0.00 0.01 0.00 0.00 46.19 42.52 2k45 s LEU 123 CO 0.16 -0.88 0.02 -1.10 1.01 0.00 0.00 176.35 175.56 2k45 s GLN 124 N 3.63 2.98 -0.43 1.70 -0.21 -1.26 -0.29 119.66 125.79 2k45 s GLN 124 Ca 0.44 -0.44 -0.27 0.00 0.02 0.00 0.00 55.36 55.11 2k45 s GLN 124 Cb -0.12 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.04 2k45 s GLN 124 CO 0.16 0.69 2.23 -1.12 -2.12 0.00 0.00 175.29 175.13 2k45 s SER 125 N -1.12 4.91 -0.02 5.90 0.01 -1.26 0.11 113.70 122.24 2k45 s SER 125 Ca 0.16 1.18 -0.14 0.00 1.31 0.00 0.00 55.95 58.46 2k45 s SER 125 Cb -0.11 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 2k45 s SER 125 CO 0.05 -2.50 0.39 0.00 0.41 0.00 0.00 173.24 171.59 2k45 s ALA 126 N 10.40 3.70 -0.71 1.44 0.00 -1.18 -4.79 121.76 130.61 2k45 s ALA 126 Ca 0.92 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2k45 s ALA 126 Cb -0.21 -2.37 0.18 0.00 0.00 0.00 0.00 23.12 20.72 2k45 s ALA 126 CO 0.28 0.45 0.54 -1.21 0.00 0.00 0.00 175.76 175.82 2k45 s GLU 127 N -0.94 2.72 0.00 0.00 0.41 -1.26 -4.59 118.70 115.04 2k45 s GLU 127 Ca 0.23 -2.88 0.11 0.00 -0.41 0.00 0.00 54.97 52.01 2k45 s GLU 127 Cb -0.16 -3.72 0.08 0.00 -1.78 0.00 0.00 34.13 28.55 2k45 s GLU 127 CO 0.12 -1.21 0.83 1.17 -0.49 0.00 0.00 175.26 175.68