#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 0.15 0.12 3.44 0.00 -1.26 -4.76 119.74 117.42 2k45 s LYS 2 Ca 0.00 -0.15 0.23 0.00 0.00 0.00 0.00 55.97 56.05 2k45 s LYS 2 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 37.83 37.82 2k45 s LYS 2 CO 0.00 -0.19 0.98 -0.11 0.00 0.00 0.00 175.35 176.03 2k45 n LEU 3 N 2.59 0.64 0.00 2.77 7.94 -1.00 -4.61 117.00 125.32 2k45 n LEU 3 Ca 0.11 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 2k45 n LEU 3 Cb 0.65 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2k45 n LEU 3 CO -0.11 -0.08 0.00 0.61 -1.11 0.00 0.00 177.39 176.69 2k45 n GLY 4 N 1.26 -0.90 3.15 -3.96 0.00 -1.05 -2.47 105.19 101.23 2k45 n GLY 4 Ca 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 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 0.85 -0.19 1.61 1.02 -1.16 0.07 119.74 121.95 2k45 s LYS 5 Ca 0.00 -1.38 -0.02 0.00 0.02 0.00 0.00 55.97 54.59 2k45 s LYS 5 Cb 0.00 0.06 0.06 0.00 -0.52 0.00 0.00 37.83 37.43 2k45 s LYS 5 CO 0.00 -0.15 0.02 -0.48 -0.92 0.00 0.00 175.35 173.82 2k45 s LEU 6 N -3.03 1.28 -0.33 3.17 2.34 0.24 -0.03 118.68 122.32 2k45 s LEU 6 Ca 0.17 -0.81 -0.20 0.00 0.06 0.00 0.00 54.13 53.35 2k45 s LEU 6 Cb 0.07 -0.65 -0.00 0.00 -0.56 0.00 0.00 46.19 45.05 2k45 s LEU 6 CO -0.02 -0.29 0.62 -1.10 -1.06 0.00 0.00 176.35 174.49 2k45 s GLN 7 N 1.82 3.77 0.31 1.48 1.11 -0.68 -1.87 119.66 125.60 2k45 s GLN 7 Ca -0.01 0.14 0.04 0.00 0.01 0.00 0.00 55.36 55.54 2k45 s GLN 7 Cb -0.17 -3.77 -0.03 0.00 -1.01 0.00 0.00 33.01 28.03 2k45 s GLN 7 CO -0.08 -0.65 0.20 0.71 0.01 0.00 0.00 175.29 175.48 2k45 s TYR 8 N 2.63 1.61 -0.13 0.91 1.51 -1.11 -0.97 117.35 121.80 2k45 s TYR 8 Ca 0.24 -1.48 -0.05 0.00 -1.01 0.00 0.00 57.07 54.76 2k45 s TYR 8 Cb -0.15 -0.78 0.06 0.00 -0.11 0.00 0.00 41.96 40.98 2k45 s TYR 8 CO 0.13 -0.66 0.27 0.45 -1.11 0.00 0.00 175.55 174.64 2k45 s SER 9 N -3.36 -0.00 -0.06 2.29 0.15 -1.26 -2.04 113.70 109.42 2k45 s SER 9 Ca 0.37 0.61 0.04 0.00 0.70 0.00 0.00 55.95 57.66 2k45 s SER 9 Cb 0.04 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 2k45 s SER 9 CO 0.20 -0.20 -0.18 -0.76 1.20 0.00 0.00 173.24 173.50 2k45 s LEU 10 N 1.86 1.89 0.38 3.45 1.43 0.18 -2.75 118.68 125.12 2k45 s LEU 10 Ca -0.04 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2k45 s LEU 10 Cb -0.11 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 2k45 s LEU 10 CO -0.09 0.13 0.14 1.51 0.23 0.00 0.00 176.35 178.27 2k45 s ASP 11 N 0.20 2.46 -0.15 2.29 -4.77 0.26 0.12 116.67 117.08 2k45 s ASP 11 Ca -0.08 -1.63 0.01 0.00 -3.30 0.00 0.00 52.55 47.54 2k45 s ASP 11 Cb -0.14 0.44 0.02 0.00 -1.09 0.00 0.00 42.92 42.15 2k45 s ASP 11 CO 0.04 -0.91 -0.16 -0.72 0.70 0.00 0.00 175.17 174.12 2k45 s TYR 12 N -3.30 2.34 -0.61 2.11 1.13 -1.26 0.16 117.35 117.92 2k45 s TYR 12 Ca 0.28 -1.31 -0.22 0.00 -1.41 0.00 0.00 57.07 54.41 2k45 s TYR 12 Cb 0.03 -1.68 0.07 0.00 -1.10 0.00 0.00 41.96 39.29 2k45 s TYR 12 CO 0.16 -0.68 0.88 0.34 -2.51 0.00 0.00 175.55 173.74 2k45 s ASP 13 N 1.33 6.21 0.35 -0.18 -1.08 -0.86 -4.92 116.67 117.53 2k45 s ASP 13 Ca 0.03 -0.95 0.22 0.00 -0.52 0.00 0.00 52.55 51.33 2k45 s ASP 13 Cb -0.13 -2.39 0.21 0.00 -1.46 0.00 0.00 42.92 39.15 2k45 s ASP 13 CO -0.10 -1.29 1.43 2.19 0.52 0.00 0.00 175.17 177.92 2k45 h PHE 14 N 9.40 0.00 -0.43 -5.34 -0.00 -1.96 -1.94 116.94 116.67 2k45 h PHE 14 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.69 2k45 h PHE 14 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.03 2k45 h PHE 14 CO 0.91 0.07 0.00 0.00 -0.00 0.00 0.00 178.31 179.29 2k45 n GLN 15 N -3.00 2.09 -0.02 6.09 -0.00 -1.26 -1.19 117.38 120.08 2k45 n GLN 15 Ca 0.02 -1.59 0.06 0.00 -0.00 0.00 0.00 57.00 55.49 2k45 n GLN 15 Cb 0.56 -1.37 0.06 0.00 -0.00 0.00 0.00 30.24 29.49 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 0.76 2.05 -3.71 2.61 0.23 -1.07 -5.02 115.26 111.12 2k45 n ASN 16 Ca 0.15 -1.53 -0.27 0.00 -0.53 0.00 0.00 54.58 52.39 2k45 n ASN 16 Cb 0.39 -0.03 0.03 0.00 -2.08 0.00 0.00 39.78 38.10 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 0.61 -3.62 -3.79 0.53 3.02 -0.34 -4.90 115.26 106.77 2k45 n ASN 17 Ca 0.07 -0.96 -0.13 0.00 -0.03 0.00 0.00 54.58 53.54 2k45 n ASN 17 Cb 0.30 -3.57 -0.12 0.00 -0.61 0.00 0.00 39.78 35.77 2k45 n ASN 17 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2k45 s GLN 18 N -5.98 0.23 0.24 3.52 -0.44 -0.95 -2.18 119.66 114.11 2k45 s GLN 18 Ca 0.29 0.31 -0.21 0.00 -2.50 0.00 0.00 55.36 53.25 2k45 s GLN 18 Cb -0.10 0.09 -0.09 0.00 -1.64 0.00 0.00 33.01 31.28 2k45 s GLN 18 CO 0.85 -0.04 0.77 -0.51 0.50 0.00 0.00 175.29 176.86 2k45 s LEU 19 N 0.23 4.34 -0.18 3.68 1.43 0.09 -2.03 118.68 126.24 2k45 s LEU 19 Ca -0.01 1.51 0.01 0.00 -1.03 0.00 0.00 54.13 54.61 2k45 s LEU 19 Cb -0.02 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.55 2k45 s LEU 19 CO -0.01 0.01 -0.14 -0.22 0.23 0.00 0.00 176.35 176.22 2k45 s LEU 20 N -1.99 2.13 -0.54 1.79 1.98 0.43 -0.55 118.68 121.93 2k45 s LEU 20 Ca 0.45 -0.73 0.06 0.00 -2.89 0.00 0.00 54.13 51.02 2k45 s LEU 20 Cb -0.17 -1.30 0.24 0.00 0.66 0.00 0.00 46.19 45.61 2k45 s LEU 20 CO 0.22 -0.08 0.61 1.33 -1.89 0.00 0.00 176.35 176.53 2k45 n VAL 21 N 4.68 0.93 -3.52 1.68 0.24 -1.18 0.91 118.33 122.07 2k45 n VAL 21 Ca -0.17 -4.62 -0.32 0.00 -2.04 0.00 0.00 64.34 57.20 2k45 n VAL 21 Cb 0.48 -2.02 -0.07 0.00 -1.47 0.00 0.00 33.84 30.76 2k45 n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k45 n GLY 22 N 1.32 4.53 0.00 7.63 0.00 -1.11 -2.15 105.19 115.41 2k45 n GLY 22 Ca 0.26 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.60 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 1.50 0.00 0.00 -0.61 2.08 -1.25 -4.54 119.36 116.54 2k45 n ILE 23 Ca 0.25 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.56 2k45 n ILE 23 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.27 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2k45 n ILE 24 N 0.00 0.00 -3.71 1.39 5.41 -0.14 -2.46 119.36 119.84 2k45 n ILE 24 Ca 0.00 0.14 -0.13 0.00 1.00 0.00 0.00 62.75 63.75 2k45 n ILE 24 Cb 0.00 -1.11 -0.08 0.00 -0.71 0.00 0.00 39.64 37.75 2k45 n ILE 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2k45 s GLN 25 N -0.30 0.79 -0.02 0.38 -0.44 -1.19 0.38 119.66 119.25 2k45 s GLN 25 Ca 0.00 -0.24 -0.01 0.00 -2.50 0.00 0.00 55.36 52.61 2k45 s GLN 25 Cb 0.00 0.35 -0.04 0.00 -1.64 0.00 0.00 33.01 31.68 2k45 s GLN 25 CO 0.00 -0.24 0.05 0.00 0.50 0.00 0.00 175.29 175.60 2k45 s ALA 26 N -1.80 3.49 -0.06 1.58 0.00 -0.81 -1.69 121.76 122.47 2k45 s ALA 26 Ca -0.10 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2k45 s ALA 26 Cb -0.03 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.57 2k45 s ALA 26 CO 0.02 0.66 -0.11 0.00 0.00 0.00 0.00 175.76 176.33 2k45 s ALA 27 N -1.11 1.21 -1.21 0.00 0.00 0.96 -2.44 121.76 119.17 2k45 s ALA 27 Ca 0.20 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 2k45 s ALA 27 Cb -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2k45 s ALA 27 CO 0.11 0.09 1.02 0.39 0.00 0.00 0.00 175.76 177.37 2k45 n GLU 28 N 3.86 -6.79 -3.08 0.00 1.02 0.77 -2.98 120.64 113.43 2k45 n GLU 28 Ca -0.23 0.83 -0.31 0.00 -0.02 0.00 0.00 57.16 57.43 2k45 n GLU 28 Cb 0.52 -5.81 -0.04 0.00 -0.02 0.00 0.00 31.44 26.09 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 -6.47 3.97 0.46 -4.62 1.43 0.96 -3.72 118.68 110.68 2k45 s LEU 29 Ca 0.13 1.07 -0.24 0.00 -1.03 0.00 0.00 54.13 54.05 2k45 s LEU 29 Cb -0.06 -3.90 -0.09 0.00 0.03 0.00 0.00 46.19 42.18 2k45 s LEU 29 CO 0.72 -0.27 1.19 -2.65 0.23 0.00 0.00 176.35 175.56 2k45 n PRO 30 N -0.86 1.65 -2.66 1.29 -0.02 -1.26 -4.63 135.00 128.52 2k45 n PRO 30 Ca 0.02 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 2k45 n PRO 30 Cb 0.54 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.26 3.37 -0.28 3.55 0.00 -1.26 -4.60 121.76 121.28 2k45 s ALA 31 Ca 0.65 0.44 0.08 0.00 0.00 0.00 0.00 51.96 53.13 2k45 s ALA 31 Cb -0.50 -3.43 0.46 0.00 0.00 0.00 0.00 23.12 19.65 2k45 s ALA 31 CO 0.55 -0.56 1.19 1.28 0.00 0.00 0.00 175.76 178.23 2k45 n LEU 32 N 4.82 4.64 -3.95 0.00 7.99 -0.92 -4.84 117.00 124.73 2k45 n LEU 32 Ca 0.09 -4.63 -0.09 0.00 -0.01 0.00 0.00 56.01 51.37 2k45 n LEU 32 Cb 0.49 -0.34 -0.09 0.00 -0.11 0.00 0.00 43.42 43.36 2k45 n LEU 32 CO 0.52 2.02 -0.24 -0.62 -1.51 0.00 0.00 177.39 177.56 2k45 s ASP 33 N -3.56 0.22 -1.51 -1.43 -1.08 -0.30 -4.12 116.67 104.89 2k45 s ASP 33 Ca 0.49 -0.60 -0.12 0.00 -0.52 0.00 0.00 52.55 51.80 2k45 s ASP 33 Cb 0.40 0.22 -0.03 0.00 -1.46 0.00 0.00 42.92 42.06 2k45 s ASP 33 CO 0.03 -0.52 2.57 0.80 0.52 0.00 0.00 175.17 178.57 2k45 n MET 34 N 0.70 3.21 -0.14 4.34 0.00 -1.26 -2.43 117.12 121.54 2k45 n MET 34 Ca -0.18 -2.37 0.00 0.00 -0.00 0.00 0.00 57.70 55.15 2k45 n MET 34 Cb 0.59 -3.03 0.00 0.00 0.00 0.00 0.00 33.22 30.78 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 3.86 0.40 3.85 -5.12 0.00 -1.26 -4.97 105.19 101.95 2k45 n GLY 35 Ca 0.64 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 2k45 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k45 n GLY 36 N 0.00 -0.49 3.27 -0.02 0.00 -1.02 -4.97 105.19 101.96 2k45 n GLY 36 Ca 0.00 0.17 -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 -3.23 0.02 0.26 2.61 -4.23 -1.25 -4.87 115.64 104.94 2k45 s THR 37 Ca 0.63 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 2k45 s THR 37 Cb -0.32 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 2k45 s THR 37 CO 0.78 0.00 -0.01 -0.94 -0.54 0.00 0.00 174.62 173.91 2k45 s SER 38 N -3.32 2.11 -0.79 3.99 1.04 -1.25 -1.15 113.70 114.33 2k45 s SER 38 Ca 0.40 -1.24 0.02 0.00 0.48 0.00 0.00 55.95 55.62 2k45 s SER 38 Cb 0.04 -0.04 0.24 0.00 0.10 0.00 0.00 66.02 66.36 2k45 s SER 38 CO 0.23 -0.49 0.86 0.47 0.98 0.00 0.00 173.24 175.30 2k45 n ASP 39 N -0.49 4.27 -4.66 7.02 9.92 -1.26 -1.05 116.55 130.30 2k45 n ASP 39 Ca -0.05 -3.35 -0.39 0.00 -0.53 0.00 0.00 54.79 50.47 2k45 n ASP 39 Cb 0.64 -0.87 0.04 0.00 -0.64 0.00 0.00 41.12 40.28 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 1.37 1.32 -3.63 -0.24 -0.02 -1.18 -3.09 135.00 129.53 2k45 n PRO 40 Ca 0.26 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 62.12 2k45 n PRO 40 Cb 0.38 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.37 -0.73 -0.20 6.00 6.14 -0.98 -1.81 117.35 124.41 2k45 s TYR 41 Ca 0.70 1.69 -0.11 0.00 0.64 0.00 0.00 57.07 59.99 2k45 s TYR 41 Cb -0.46 0.35 -0.05 0.00 0.42 0.00 0.00 41.96 42.23 2k45 s TYR 41 CO 0.51 -0.35 0.20 0.08 0.64 0.00 0.00 175.55 176.62 2k45 s VAL 42 N 0.57 5.36 -0.23 3.14 1.01 -1.26 0.15 120.40 129.14 2k45 s VAL 42 Ca -0.01 0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 2k45 s VAL 42 Cb -0.05 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2k45 s VAL 42 CO -0.05 0.40 0.31 -0.54 0.00 0.00 0.00 175.10 175.22 2k45 s LYS 43 N 0.59 4.10 -0.19 2.72 1.02 0.27 -3.65 119.74 124.59 2k45 s LYS 43 Ca 0.11 -0.00 -0.08 0.00 0.02 0.00 0.00 55.97 56.02 2k45 s LYS 43 Cb -0.12 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 2k45 s LYS 43 CO 0.01 -0.07 0.07 0.08 -0.92 0.00 0.00 175.35 174.53 2k45 s VAL 44 N 1.43 4.80 0.20 3.17 1.01 -1.26 -0.09 120.40 129.67 2k45 s VAL 44 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2k45 s VAL 44 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2k45 s VAL 44 CO 0.08 0.44 0.12 -0.36 0.00 0.00 0.00 175.10 175.38 2k45 s PHE 45 N 0.55 1.19 0.24 5.22 0.08 -0.32 -4.33 117.98 120.61 2k45 s PHE 45 Ca 0.04 -1.36 0.10 0.00 0.12 0.00 0.00 56.93 55.83 2k45 s PHE 45 Cb -0.13 -0.59 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 2k45 s PHE 45 CO 0.01 -0.61 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.83 2k45 s LEU 46 N -3.17 2.55 0.34 -0.37 1.43 -1.26 -2.02 118.68 116.19 2k45 s LEU 46 Ca 0.39 -1.00 -0.25 0.00 -1.03 0.00 0.00 54.13 52.23 2k45 s LEU 46 Cb 0.07 -0.94 -0.10 0.00 0.03 0.00 0.00 46.19 45.26 2k45 s LEU 46 CO 0.12 -0.03 0.97 -0.22 0.23 0.00 0.00 176.35 177.42 2k45 s LEU 47 N -3.31 4.28 0.00 1.79 0.20 0.09 -3.51 118.68 118.22 2k45 s LEU 47 Ca 0.26 1.89 0.00 0.00 0.69 0.00 0.00 54.13 56.96 2k45 s LEU 47 Cb -0.04 -4.07 0.00 0.00 -0.43 0.00 0.00 46.19 41.65 2k45 s LEU 47 CO 0.11 -0.17 0.00 -2.65 -0.29 0.00 0.00 176.35 173.35 2k45 n PRO 48 N 0.38 0.00 -0.01 0.98 -0.02 -1.26 -4.28 135.00 130.79 2k45 n PRO 48 Ca 0.03 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.50 2k45 n PRO 48 Cb 0.50 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.98 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 -5.62 2.55 3.58 -1.95 -3.49 116.42 111.49 2k45 h ASP 49 Ca 0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 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 0.13 -0.77 1.17 -2.88 0.00 0.00 179.24 176.89 2k45 n LYS 50 N -2.65 -6.34 -0.96 0.28 0.00 -1.23 -4.88 118.16 102.38 2k45 n LYS 50 Ca -0.01 0.85 -0.19 0.00 0.00 0.00 0.00 58.31 58.96 2k45 n LYS 50 Cb 0.04 -5.85 0.04 0.00 0.00 0.00 0.00 35.03 29.26 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 -4.06 1.90 -3.60 1.64 4.76 -1.26 -4.82 118.16 112.72 2k45 n LYS 51 Ca -0.28 -1.74 -0.29 0.00 -2.87 0.00 0.00 58.31 53.13 2k45 n LYS 51 Cb 0.67 -1.69 -0.12 0.00 -1.84 0.00 0.00 35.03 32.04 2k45 n LYS 51 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2k45 s LYS 52 N -1.98 1.13 -0.39 1.97 -0.14 -1.26 -2.61 119.74 116.46 2k45 s LYS 52 Ca 0.35 -1.97 -0.26 0.00 -1.36 0.00 0.00 55.97 52.73 2k45 s LYS 52 Cb 0.27 -1.99 0.02 0.00 -1.68 0.00 0.00 37.83 34.45 2k45 s LYS 52 CO -0.02 -1.23 0.95 0.21 -0.76 0.00 0.00 175.35 174.50 2k45 s LYS 53 N 0.32 3.80 0.22 1.68 2.20 -1.26 -4.60 119.74 122.10 2k45 s LYS 53 Ca 0.21 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.39 2k45 s LYS 53 Cb -0.17 -3.82 -0.03 0.00 -1.51 0.00 0.00 37.83 32.29 2k45 s LYS 53 CO -0.05 -1.01 0.37 -0.59 -0.36 0.00 0.00 175.35 173.71 2k45 s PHE 54 N 3.58 3.47 -0.30 4.03 -0.71 -1.26 -4.70 117.98 122.10 2k45 s PHE 54 Ca 0.39 0.16 -0.02 0.00 -1.04 0.00 0.00 56.93 56.42 2k45 s PHE 54 Cb -0.11 -1.71 0.19 0.00 -1.21 0.00 0.00 43.02 40.18 2k45 s PHE 54 CO 0.20 0.41 0.63 -2.00 -1.34 0.00 0.00 175.22 173.12 2k45 s GLU 55 N -3.65 0.54 0.55 1.99 2.12 -1.26 -4.86 118.70 114.13 2k45 s GLU 55 Ca 0.36 0.95 -0.17 0.00 0.36 0.00 0.00 54.97 56.47 2k45 s GLU 55 Cb -0.10 0.53 -0.06 0.00 0.26 0.00 0.00 34.13 34.76 2k45 s GLU 55 CO 0.30 -0.60 1.04 0.95 -0.54 0.00 0.00 175.26 176.41 2k45 s THR 56 N 2.87 3.90 0.60 -1.70 -4.23 -1.24 -5.02 115.64 110.81 2k45 s THR 56 Ca 0.19 0.98 -0.17 0.00 -1.18 0.00 0.00 61.69 61.50 2k45 s THR 56 Cb -0.15 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 2k45 s THR 56 CO -0.20 -0.45 1.14 -0.75 -0.54 0.00 0.00 174.62 173.81 2k45 s LYS 57 N -3.84 3.03 -0.11 3.99 2.47 -1.26 -4.87 119.74 119.15 2k45 s LYS 57 Ca 0.64 1.56 -0.30 0.00 -1.56 0.00 0.00 55.97 56.32 2k45 s LYS 57 Cb -0.15 -1.97 -0.02 0.00 -1.46 0.00 0.00 37.83 34.23 2k45 s LYS 57 CO 0.31 -1.10 1.14 0.54 0.16 0.00 0.00 175.35 176.41 2k45 s VAL 58 N -1.98 4.45 -1.02 4.02 0.11 -1.26 -4.67 120.40 120.05 2k45 s VAL 58 Ca 0.71 1.75 -0.11 0.00 -2.93 0.00 0.00 61.98 61.40 2k45 s VAL 58 Cb -0.24 -4.13 0.25 0.00 -1.53 0.00 0.00 36.38 30.73 2k45 s VAL 58 CO 0.34 -0.04 1.02 -1.00 -3.33 0.00 0.00 175.10 172.09 2k45 s HIS 59 N 2.49 4.04 0.05 1.54 0.09 -0.75 -4.98 115.29 117.76 2k45 s HIS 59 Ca 0.52 -2.40 -0.31 0.00 -0.00 0.00 0.00 55.06 52.87 2k45 s HIS 59 Cb -0.21 -3.87 -0.06 0.00 -0.00 0.00 0.00 32.58 28.43 2k45 s HIS 59 CO 0.18 -1.00 1.37 -0.98 -0.00 0.00 0.00 174.74 174.30 2k45 s ARG 60 N -0.54 4.32 -0.61 1.40 1.04 -1.26 -3.12 118.95 120.18 2k45 s ARG 60 Ca 0.27 1.97 -0.00 0.00 -1.04 0.00 0.00 55.73 56.94 2k45 s ARG 60 Cb -0.09 -3.43 -0.00 0.00 -2.04 0.00 0.00 34.95 29.39 2k45 s ARG 60 CO -0.08 -0.48 0.51 1.63 -0.04 0.00 0.00 175.30 176.84 2k45 n LYS 61 N 4.66 -3.34 -3.66 3.89 4.76 -0.46 -4.96 118.16 119.05 2k45 n LYS 61 Ca 0.12 0.44 -0.08 0.00 -2.87 0.00 0.00 58.31 55.91 2k45 n LYS 61 Cb 0.44 -4.21 -0.08 0.00 -1.84 0.00 0.00 35.03 29.33 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 -3.18 -0.06 -0.87 -0.18 -4.23 -0.22 -4.81 115.64 102.09 2k45 s THR 62 Ca 0.01 0.04 0.27 0.00 -1.18 0.00 0.00 61.69 60.83 2k45 s THR 62 Cb -0.00 -0.84 0.25 0.00 1.34 0.00 0.00 72.50 73.24 2k45 s THR 62 CO 0.37 0.02 1.82 0.18 -0.54 0.00 0.00 174.62 176.47 2k45 n LEU 63 N 4.37 0.41 -3.37 4.79 7.99 -1.26 -3.84 117.00 126.09 2k45 n LEU 63 Ca -0.21 0.51 -0.26 0.00 -0.01 0.00 0.00 56.01 56.04 2k45 n LEU 63 Cb 0.57 -0.40 -0.09 0.00 -0.11 0.00 0.00 43.42 43.39 2k45 n LEU 63 CO 0.02 -0.08 -0.24 -3.20 -1.51 0.00 0.00 177.39 172.37 2k45 n ASN 64 N -1.87 0.52 -4.83 -1.43 4.05 -1.26 -0.03 115.26 110.41 2k45 n ASN 64 Ca 0.06 -2.68 -0.34 0.00 0.45 0.00 0.00 54.58 52.07 2k45 n ASN 64 Cb 0.38 -0.62 -0.06 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 -0.81 4.11 -0.25 1.20 0.04 -1.02 -4.85 135.00 133.42 2k45 s PRO 65 Ca 0.34 0.77 0.01 0.00 0.04 0.00 0.00 61.00 62.16 2k45 s PRO 65 Cb 0.09 -2.59 0.06 0.00 0.04 0.00 0.00 34.50 32.11 2k45 s PRO 65 CO -0.14 0.23 -0.05 0.14 0.04 0.00 0.00 177.00 177.22 2k45 s VAL 66 N -1.82 1.67 -0.18 -0.36 -7.23 -1.26 -1.92 120.40 109.29 2k45 s VAL 66 Ca 0.50 -1.37 -0.10 0.00 -1.81 0.00 0.00 61.98 59.21 2k45 s VAL 66 Cb -0.13 -1.93 -0.21 0.00 0.56 0.00 0.00 36.38 34.67 2k45 s VAL 66 CO 0.19 -0.14 0.14 0.33 -0.31 0.00 0.00 175.10 175.31 2k45 n PHE 67 N 4.61 0.84 -2.91 2.82 -0.00 0.20 -4.92 117.46 118.10 2k45 n PHE 67 Ca -0.11 0.23 -0.02 0.00 -0.00 0.00 0.00 57.45 57.55 2k45 n PHE 67 Cb 0.43 -1.10 0.00 0.00 -0.00 0.00 0.00 39.48 38.82 2k45 n PHE 67 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2k45 n ASN 68 N -3.76 -7.52 -3.84 -2.13 3.02 0.16 -5.02 115.26 96.17 2k45 n ASN 68 Ca -0.37 0.12 -0.25 0.00 -0.03 0.00 0.00 54.58 54.04 2k45 n ASN 68 Cb 0.93 -5.09 -0.17 0.00 -0.61 0.00 0.00 39.78 34.84 2k45 n ASN 68 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2k45 s GLU 69 N -2.85 1.10 -0.05 3.52 2.12 -1.03 -4.91 118.70 116.61 2k45 s GLU 69 Ca 0.08 -0.13 -0.29 0.00 0.36 0.00 0.00 54.97 54.99 2k45 s GLU 69 Cb -0.02 -1.38 -0.02 0.00 0.26 0.00 0.00 34.13 32.96 2k45 s GLU 69 CO 0.71 -0.31 0.96 1.14 -0.54 0.00 0.00 175.26 177.22 2k45 s GLN 70 N 1.82 4.49 -0.53 4.30 1.03 -1.26 -4.08 119.66 125.43 2k45 s GLN 70 Ca 0.04 1.34 -0.16 0.00 0.04 0.00 0.00 55.36 56.62 2k45 s GLN 70 Cb -0.13 -3.49 0.12 0.00 0.03 0.00 0.00 33.01 29.54 2k45 s GLN 70 CO -0.07 -0.14 0.51 -0.06 -2.54 0.00 0.00 175.29 172.99 2k45 s PHE 71 N 1.37 3.22 -0.37 9.60 0.08 -0.91 -4.81 117.98 126.15 2k45 s PHE 71 Ca 0.49 -1.18 -0.42 0.00 0.12 0.00 0.00 56.93 55.94 2k45 s PHE 71 Cb -0.20 -3.72 -0.17 0.00 -0.57 0.00 0.00 43.02 38.37 2k45 s PHE 71 CO 0.23 -1.02 1.82 2.41 -0.10 0.00 0.00 175.22 178.57 2k45 n THR 72 N 5.28 0.18 -3.79 0.64 -1.04 -1.26 -3.10 114.28 111.19 2k45 n THR 72 Ca -0.13 -0.06 -0.36 0.00 -2.04 0.00 0.00 64.05 61.46 2k45 n THR 72 Cb 0.41 -1.02 -0.12 0.00 -1.82 0.00 0.00 70.33 67.78 2k45 n THR 72 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2k45 s PHE 73 N 4.23 3.52 -1.28 -1.42 0.08 0.28 -4.54 117.98 118.86 2k45 s PHE 73 Ca 1.04 -2.26 -0.17 0.00 0.12 0.00 0.00 56.93 55.66 2k45 s PHE 73 Cb -1.20 -2.99 -0.00 0.00 -0.57 0.00 0.00 43.02 38.26 2k45 s PHE 73 CO 0.68 -0.93 2.07 1.63 -0.10 0.00 0.00 175.22 178.57 2k45 n LYS 74 N 4.61 2.56 -3.70 0.44 4.76 -1.07 -0.73 118.16 125.03 2k45 n LYS 74 Ca -0.05 -2.55 -0.14 0.00 -2.87 0.00 0.00 58.31 52.70 2k45 n LYS 74 Cb 0.42 -3.27 -0.14 0.00 -1.84 0.00 0.00 35.03 30.20 2k45 n LYS 74 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k45 s VAL 75 N 4.15 -0.17 0.62 -0.18 0.11 -1.07 -4.65 120.40 119.20 2k45 s VAL 75 Ca 0.51 0.25 -0.19 0.00 -2.93 0.00 0.00 61.98 59.63 2k45 s VAL 75 Cb 0.12 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.63 2k45 s VAL 75 CO -0.01 0.10 1.27 -2.84 -3.33 0.00 0.00 175.10 170.30 2k45 s PRO 76 N 1.75 2.75 0.23 1.54 0.02 -0.92 -3.66 135.00 136.71 2k45 s PRO 76 Ca -0.04 2.00 -0.04 0.00 0.02 0.00 0.00 61.00 62.94 2k45 s PRO 76 Cb -0.12 -1.91 0.23 0.00 0.02 0.00 0.00 34.50 32.73 2k45 s PRO 76 CO -0.07 -1.42 1.69 0.10 -0.33 0.00 0.00 177.00 176.97 2k45 h TYR 77 N 0.75 0.91 -0.22 6.54 -0.00 -1.94 0.84 116.97 123.85 2k45 h TYR 77 Ca -0.51 -0.16 0.01 0.00 -0.00 0.00 0.00 58.73 58.07 2k45 h TYR 77 Cb 1.32 -0.24 -0.01 0.00 -0.00 0.00 0.00 36.73 37.80 2k45 h TYR 77 CO 0.44 0.88 0.15 0.77 -0.00 0.00 0.00 178.16 180.39 2k45 h SER 78 N 0.76 0.23 1.31 0.10 0.02 -1.97 -2.12 113.55 111.89 2k45 h SER 78 Ca 0.13 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2k45 h SER 78 Cb 0.58 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2k45 h SER 78 CO 0.04 0.17 -0.56 -0.33 -1.14 0.00 0.00 176.83 175.00 2k45 h GLU 79 N 0.27 0.00 -0.33 3.45 5.08 -1.28 -3.30 114.58 118.48 2k45 h GLU 79 Ca 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2k45 h GLU 79 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2k45 h GLU 79 CO -0.02 0.00 0.09 1.25 -1.00 0.00 0.00 179.01 179.33 2k45 h LEU 80 N 0.00 0.43 -0.72 1.33 6.46 0.13 -2.81 115.31 120.13 2k45 h LEU 80 Ca 0.00 -0.05 0.16 0.00 -0.12 0.00 0.00 57.88 57.87 2k45 h LEU 80 Cb 0.94 -0.11 -0.12 0.00 -0.73 0.00 0.00 40.66 40.63 2k45 h LEU 80 CO 0.00 0.43 0.00 1.23 -0.62 0.00 0.00 178.44 179.48 2k45 h GLY 81 N 0.68 0.78 0.95 3.75 0.00 -1.63 -2.15 103.07 105.45 2k45 h GLY 81 Ca 0.11 0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 2k45 h GLY 81 CO -0.01 -0.26 -0.12 -1.33 0.00 0.00 0.00 176.54 174.82 2k45 h GLY 82 N 0.11 0.76 -2.84 4.60 0.00 -1.75 -3.32 103.07 100.63 2k45 h GLY 82 Ca 0.39 -0.65 -0.50 0.00 0.00 0.00 0.00 47.33 46.56 2k45 h GLY 82 CO -0.63 0.59 0.04 0.54 0.00 0.00 0.00 176.54 177.08 2k45 s LYS 83 N -4.70 3.81 -0.09 4.80 1.02 -0.81 -4.91 119.74 118.86 2k45 s LYS 83 Ca -0.13 0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.30 2k45 s LYS 83 Cb 0.09 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 2k45 s LYS 83 CO 0.81 0.10 -0.17 0.95 -0.92 0.00 0.00 175.35 176.12 2k45 s THR 84 N -2.15 2.75 0.05 2.17 -4.23 -1.26 -2.35 115.64 110.62 2k45 s THR 84 Ca 0.50 -0.80 -0.19 0.00 -1.18 0.00 0.00 61.69 60.02 2k45 s THR 84 Cb -0.10 -2.09 -0.06 0.00 1.34 0.00 0.00 72.50 71.58 2k45 s THR 84 CO 0.26 0.56 0.56 -0.22 -0.54 0.00 0.00 174.62 175.24 2k45 s LEU 85 N -0.07 4.51 0.02 4.79 0.20 -1.21 -0.73 118.68 126.19 2k45 s LEU 85 Ca -0.04 1.22 0.04 0.00 0.69 0.00 0.00 54.13 56.04 2k45 s LEU 85 Cb -0.14 -2.87 -0.02 0.00 -0.43 0.00 0.00 46.19 42.73 2k45 s LEU 85 CO 0.04 0.26 -0.12 0.68 -0.29 0.00 0.00 176.35 176.92 2k45 s VAL 86 N -0.97 0.91 -0.08 1.68 -7.23 -0.85 -3.22 120.40 110.63 2k45 s VAL 86 Ca 0.29 -0.77 -0.03 0.00 -1.81 0.00 0.00 61.98 59.65 2k45 s VAL 86 Cb -0.19 -0.82 0.05 0.00 0.56 0.00 0.00 36.38 35.98 2k45 s VAL 86 CO 0.18 0.05 0.17 -0.32 -0.31 0.00 0.00 175.10 174.87 2k45 s MET 87 N -0.82 0.08 -0.16 4.82 0.00 -1.22 -1.17 119.30 120.83 2k45 s MET 87 Ca 0.01 0.51 -0.01 0.00 0.00 0.00 0.00 55.69 56.20 2k45 s MET 87 Cb -0.06 -0.20 0.04 0.00 0.00 0.00 0.00 34.83 34.61 2k45 s MET 87 CO 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 175.02 174.77 2k45 s ALA 88 N 1.80 1.22 -0.23 4.11 0.00 0.87 -1.67 121.76 127.87 2k45 s ALA 88 Ca -0.03 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 2k45 s ALA 88 Cb -0.12 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 2k45 s ALA 88 CO -0.06 -0.84 1.39 0.14 0.00 0.00 0.00 175.76 176.39 2k45 s VAL 89 N 1.75 4.03 -0.11 0.00 -7.23 -0.46 0.96 120.40 119.34 2k45 s VAL 89 Ca 0.01 1.19 0.01 0.00 -1.81 0.00 0.00 61.98 61.37 2k45 s VAL 89 Cb -0.15 -3.96 -0.02 0.00 0.56 0.00 0.00 36.38 32.81 2k45 s VAL 89 CO -0.07 -0.32 -0.13 -0.47 -0.31 0.00 0.00 175.10 173.79 2k45 s TYR 90 N 4.34 2.78 -0.19 2.82 5.04 0.39 -2.20 117.35 130.34 2k45 s TYR 90 Ca 0.61 -0.54 -0.14 0.00 -2.44 0.00 0.00 57.07 54.56 2k45 s TYR 90 Cb -0.21 -1.79 -0.04 0.00 0.35 0.00 0.00 41.96 40.26 2k45 s TYR 90 CO 0.23 -0.12 0.29 0.34 -1.34 0.00 0.00 175.55 174.95 2k45 s ASP 91 N 0.11 6.37 -0.66 4.32 2.15 -1.20 -2.32 116.67 125.44 2k45 s ASP 91 Ca -0.06 0.43 -0.24 0.00 0.43 0.00 0.00 52.55 53.11 2k45 s ASP 91 Cb -0.15 -2.18 0.05 0.00 -0.30 0.00 0.00 42.92 40.35 2k45 s ASP 91 CO 0.05 0.05 1.05 0.12 -0.17 0.00 0.00 175.17 176.26 2k45 s PHE 92 N 0.81 2.59 -2.18 -5.34 5.36 -1.18 -4.31 117.98 113.73 2k45 s PHE 92 Ca 0.15 -0.28 0.18 0.00 -0.96 0.00 0.00 56.93 56.02 2k45 s PHE 92 Cb -0.13 -4.35 0.53 0.00 -0.34 0.00 0.00 43.02 38.73 2k45 s PHE 92 CO 0.05 -1.70 1.42 -0.40 -1.46 0.00 0.00 175.22 173.13 2k45 n ASP 93 N 8.13 2.29 0.00 6.13 5.68 -1.26 -4.54 116.55 132.98 2k45 n ASP 93 Ca -0.00 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 2k45 n ASP 93 Cb 0.47 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 0.73 0.00 0.14 0.11 1.74 -1.26 -3.78 116.66 114.34 2k45 n ARG 94 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2k45 n ARG 94 Cb 0.39 -4.04 0.00 0.00 -1.02 0.00 0.00 32.46 27.80 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 -2.00 -3.62 -1.28 -1.55 7.35 -1.26 -5.14 117.46 109.96 2k45 n PHE 95 Ca 0.00 0.93 -0.30 0.00 -0.76 0.00 0.00 57.45 57.32 2k45 n PHE 95 Cb 0.00 2.46 0.23 0.00 0.35 0.00 0.00 39.48 42.52 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2k45 s SER 96 N -2.41 1.34 -0.17 -2.13 1.04 -1.25 -4.94 113.70 105.18 2k45 s SER 96 Ca 0.00 0.50 -0.29 0.00 0.48 0.00 0.00 55.95 56.64 2k45 s SER 96 Cb 0.00 -0.66 -0.02 0.00 0.10 0.00 0.00 66.02 65.44 2k45 s SER 96 CO 0.00 -3.85 1.36 -0.54 0.98 0.00 0.00 173.24 171.19 2k45 s LYS 97 N -5.56 4.14 -0.15 4.02 1.02 -1.26 -4.80 119.74 117.16 2k45 s LYS 97 Ca 0.72 1.69 -0.29 0.00 0.02 0.00 0.00 55.97 58.11 2k45 s LYS 97 Cb -0.08 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 33.35 2k45 s LYS 97 CO 0.55 -0.84 1.79 -3.38 -0.92 0.00 0.00 175.35 172.55 2k45 s HIS 98 N 3.85 1.78 -0.10 3.18 -3.43 -1.26 -4.97 115.29 114.35 2k45 s HIS 98 Ca 0.59 0.31 -0.22 0.00 -0.80 0.00 0.00 55.06 54.94 2k45 s HIS 98 Cb -0.23 -4.01 -0.03 0.00 -1.43 0.00 0.00 32.58 26.87 2k45 s HIS 98 CO 0.19 -3.73 0.66 -0.51 -2.00 0.00 0.00 174.74 169.36 2k45 s ASP 99 N 4.83 6.90 0.07 7.38 1.01 -1.26 -4.98 116.67 130.62 2k45 s ASP 99 Ca 0.80 1.08 -0.31 0.00 0.71 0.00 0.00 52.55 54.83 2k45 s ASP 99 Cb -0.31 -2.39 -0.08 0.00 1.01 0.00 0.00 42.92 41.16 2k45 s ASP 99 CO 0.32 -0.13 1.59 -0.63 0.21 0.00 0.00 175.17 176.54 2k45 s ILE 100 N 0.98 3.10 0.01 0.77 1.09 -1.26 -3.27 121.20 122.61 2k45 s ILE 100 Ca 0.35 0.59 -0.20 0.00 -1.10 0.00 0.00 60.65 60.29 2k45 s ILE 100 Cb -0.17 -3.38 -0.22 0.00 -1.06 0.00 0.00 42.46 37.63 2k45 s ILE 100 CO 0.16 0.01 1.12 0.16 -0.10 0.00 0.00 174.94 176.28 2k45 h ILE 101 N 4.71 1.42 -0.92 2.92 3.07 -1.67 -3.41 117.51 123.63 2k45 h ILE 101 Ca -0.42 -2.00 0.00 0.00 1.55 0.00 0.00 64.86 63.99 2k45 h ILE 101 Cb 1.20 2.52 0.00 0.00 -0.27 0.00 0.00 36.82 40.27 2k45 h ILE 101 CO 0.92 0.58 0.00 0.61 -1.05 0.00 0.00 178.15 179.21 2k45 n GLY 102 N 0.97 1.51 3.59 0.16 0.00 -0.97 -3.27 105.19 107.18 2k45 n GLY 102 Ca -0.10 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 2k45 n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k45 s GLU 103 N -0.33 0.51 -0.28 1.61 2.56 0.17 -1.36 118.70 121.59 2k45 s GLU 103 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 54.97 54.91 2k45 s GLU 103 Cb 0.00 0.24 0.09 0.00 2.00 0.00 0.00 34.13 36.46 2k45 s GLU 103 CO 0.00 -0.16 0.76 0.12 -0.56 0.00 0.00 175.26 175.42 2k45 s PHE 104 N -1.13 -0.90 0.07 5.30 5.36 -0.67 -2.77 117.98 123.25 2k45 s PHE 104 Ca 0.00 1.89 -0.00 0.00 -0.96 0.00 0.00 56.93 57.85 2k45 s PHE 104 Cb -0.01 0.51 0.00 0.00 -0.34 0.00 0.00 43.02 43.18 2k45 s PHE 104 CO 0.00 -0.45 0.11 1.17 -1.46 0.00 0.00 175.22 174.59 2k45 n LYS 105 N 3.79 0.15 -3.61 10.12 3.00 -1.26 -3.39 118.16 126.95 2k45 n LYS 105 Ca -0.18 -0.58 -0.10 0.00 -0.00 0.00 0.00 58.31 57.44 2k45 n LYS 105 Cb 0.58 0.57 -0.10 0.00 0.00 0.00 0.00 35.03 36.07 2k45 n LYS 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2k45 s VAL 106 N -2.52 -0.57 -0.06 3.15 0.11 -1.20 -4.99 120.40 114.31 2k45 s VAL 106 Ca 0.06 0.16 -0.37 0.00 -2.93 0.00 0.00 61.98 58.90 2k45 s VAL 106 Cb -0.00 -0.62 -0.15 0.00 -1.53 0.00 0.00 36.38 34.07 2k45 s VAL 106 CO 0.04 0.05 1.58 -0.81 -3.33 0.00 0.00 175.10 172.64 2k45 n PRO 107 N 5.37 1.38 0.25 1.54 -0.04 -1.26 -3.29 135.00 138.96 2k45 n PRO 107 Ca -0.07 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 2k45 n PRO 107 Cb 0.50 -2.20 0.73 0.00 -0.04 0.00 0.00 33.50 32.49 2k45 n PRO 107 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k45 h MET 108 N 6.25 0.00 0.00 0.54 2.86 -1.67 0.10 114.93 123.01 2k45 h MET 108 Ca -0.47 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2k45 h MET 108 Cb 1.31 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.97 2k45 h MET 108 CO 0.88 0.00 -0.01 -2.95 1.06 0.00 0.00 176.91 175.89 2k45 h ASN 109 N 0.00 0.00 0.59 1.22 7.08 -1.65 -2.12 115.58 120.70 2k45 h ASN 109 Ca 0.02 0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 53.10 2k45 h ASN 109 Cb 0.08 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.29 2k45 h ASN 109 CO -0.00 0.01 -1.53 0.35 -2.08 0.00 0.00 177.43 174.18 2k45 n THR 110 N -3.16 0.98 -3.18 6.14 -2.24 0.35 -4.76 114.28 108.40 2k45 n THR 110 Ca -0.02 -0.66 -0.42 0.00 -2.27 0.00 0.00 64.05 60.68 2k45 n THR 110 Cb 0.15 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 67.75 2k45 n THR 110 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k45 s VAL 111 N -3.02 4.94 -0.32 2.28 0.11 -0.80 -5.03 120.40 118.56 2k45 s VAL 111 Ca -0.04 0.28 -0.25 0.00 -2.93 0.00 0.00 61.98 59.05 2k45 s VAL 111 Cb 0.09 -4.06 0.01 0.00 -1.53 0.00 0.00 36.38 30.89 2k45 s VAL 111 CO 0.82 -0.35 0.85 1.51 -3.33 0.00 0.00 175.10 174.60 2k45 s ASP 112 N 1.83 6.71 -1.22 3.54 -4.77 -1.26 -4.93 116.67 116.57 2k45 s ASP 112 Ca 0.20 0.71 -0.06 0.00 -3.30 0.00 0.00 52.55 50.11 2k45 s ASP 112 Cb -0.15 -2.44 0.20 0.00 -1.09 0.00 0.00 42.92 39.45 2k45 s ASP 112 CO 0.15 -0.69 1.97 0.49 0.70 0.00 0.00 175.17 177.79 2k45 n PHE 113 N 6.38 2.65 -0.04 2.11 3.01 -1.26 -4.59 117.46 125.72 2k45 n PHE 113 Ca 0.05 -2.72 -0.14 0.00 1.01 0.00 0.00 57.45 55.65 2k45 n PHE 113 Cb 0.48 -1.66 -0.12 0.00 -0.01 0.00 0.00 39.48 38.17 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2k45 h GLY 114 N 6.07 0.08 0.00 1.37 0.00 -1.98 -3.46 103.07 105.16 2k45 h GLY 114 Ca 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2k45 h GLY 114 CO 1.46 0.13 0.00 -2.39 0.00 0.00 0.00 176.54 175.73 2k45 n HIS 115 N -4.61 0.00 -4.35 5.60 -0.00 -1.26 -5.01 115.22 105.60 2k45 n HIS 115 Ca -0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.29 2k45 n HIS 115 Cb 0.45 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.29 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 3.17 2.23 -0.54 0.61 1.01 -1.26 -4.22 120.40 121.39 2k45 s VAL 116 Ca 0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 2k45 s VAL 116 Cb 0.00 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.51 2k45 s VAL 116 CO 0.00 0.53 0.77 -0.89 0.00 0.00 0.00 175.10 175.51 2k45 s THR 117 N 1.08 4.65 -0.25 3.92 2.01 0.33 -4.88 115.64 122.50 2k45 s THR 117 Ca -0.00 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 2k45 s THR 117 Cb -0.14 -4.43 0.02 0.00 0.01 0.00 0.00 72.50 67.95 2k45 s THR 117 CO -0.07 -0.99 -0.03 -1.61 -0.69 0.00 0.00 174.62 171.23 2k45 s GLU 118 N 3.22 3.01 0.14 4.92 2.02 -1.26 0.50 118.70 131.25 2k45 s GLU 118 Ca 0.21 -0.88 -0.18 0.00 0.02 0.00 0.00 54.97 54.14 2k45 s GLU 118 Cb -0.17 -3.07 0.05 0.00 0.10 0.00 0.00 34.13 31.04 2k45 s GLU 118 CO 0.14 -0.36 0.47 -1.83 0.02 0.00 0.00 175.26 173.70 2k45 s GLU 119 N 1.39 1.14 -0.46 1.61 -1.05 -0.87 -5.00 118.70 115.47 2k45 s GLU 119 Ca 0.02 -0.63 -0.22 0.00 -0.15 0.00 0.00 54.97 54.00 2k45 s GLU 119 Cb -0.16 0.51 0.03 0.00 -0.44 0.00 0.00 34.13 34.07 2k45 s GLU 119 CO -0.03 -0.47 0.72 -1.58 0.95 0.00 0.00 175.26 174.85 2k45 s TRP 120 N -3.79 3.01 -0.11 4.83 0.23 -1.26 -2.76 118.94 119.10 2k45 s TRP 120 Ca 0.02 -0.04 -0.02 0.00 -2.03 0.00 0.00 56.10 54.04 2k45 s TRP 120 Cb 0.01 -3.55 -0.03 0.00 0.03 0.00 0.00 33.47 29.93 2k45 s TRP 120 CO -0.12 -0.98 -0.04 0.50 0.96 0.00 0.00 176.95 177.27 2k45 s ARG 121 N 3.07 3.16 -0.12 4.98 6.06 -0.78 -4.96 118.95 130.36 2k45 s ARG 121 Ca 0.25 -0.50 -0.13 0.00 -2.50 0.00 0.00 55.73 52.85 2k45 s ARG 121 Cb -0.14 -2.77 -0.05 0.00 0.06 0.00 0.00 34.95 32.06 2k45 s ARG 121 CO 0.19 0.52 0.29 0.34 -2.50 0.00 0.00 175.30 174.14 2k45 s ASP 122 N -0.39 6.51 -0.33 -2.12 2.15 -1.26 0.83 116.67 122.07 2k45 s ASP 122 Ca 0.06 0.60 -0.20 0.00 0.43 0.00 0.00 52.55 53.45 2k45 s ASP 122 Cb -0.12 -2.18 -0.01 0.00 -0.30 0.00 0.00 42.92 40.31 2k45 s ASP 122 CO 0.02 0.20 0.59 -0.76 -0.17 0.00 0.00 175.17 175.06 2k45 s LEU 123 N -0.13 4.21 -0.07 -1.34 1.02 0.11 -4.58 118.68 117.89 2k45 s LEU 123 Ca 0.18 0.25 -0.05 0.00 0.02 0.00 0.00 54.13 54.53 2k45 s LEU 123 Cb -0.14 -2.74 -0.04 0.00 0.02 0.00 0.00 46.19 43.30 2k45 s LEU 123 CO 0.06 -0.49 0.15 0.00 0.02 0.00 0.00 176.35 176.08 2k45 s GLN 124 N 2.56 3.40 -0.46 1.70 -2.07 -1.11 -2.38 119.66 121.31 2k45 s GLN 124 Ca 0.23 -0.23 -0.29 0.00 -1.82 0.00 0.00 55.36 53.26 2k45 s GLN 124 Cb -0.15 -3.13 0.02 0.00 -1.09 0.00 0.00 33.01 28.66 2k45 s GLN 124 CO 0.13 0.73 1.32 0.45 -1.32 0.00 0.00 175.29 176.60 2k45 s SER 125 N -1.38 6.41 -0.12 12.60 0.15 -1.26 -0.66 113.70 129.43 2k45 s SER 125 Ca 0.20 0.62 -0.06 0.00 0.70 0.00 0.00 55.95 57.41 2k45 s SER 125 Cb -0.12 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 2k45 s SER 125 CO 0.10 -1.41 0.11 0.00 1.20 0.00 0.00 173.24 173.23 2k45 s ALA 126 N 5.19 3.73 -0.93 5.45 0.00 -1.20 -4.64 121.76 129.36 2k45 s ALA 126 Ca 0.55 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 2k45 s ALA 126 Cb -0.11 -1.89 0.24 0.00 0.00 0.00 0.00 23.12 21.36 2k45 s ALA 126 CO 0.31 0.55 0.90 0.39 0.00 0.00 0.00 175.76 177.91 2k45 n GLU 127 N 2.23 2.94 0.00 0.00 1.02 -1.26 -4.09 120.64 121.48 2k45 n GLU 127 Ca -0.19 -4.50 0.04 0.00 -0.02 0.00 0.00 57.16 52.48 2k45 n GLU 127 Cb 0.54 -2.43 0.03 0.00 -0.02 0.00 0.00 31.44 29.56 2k45 n GLU 127 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67