#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 0.52 0.09 3.49 0.00 -1.26 -4.74 119.74 117.84 2k45 s LYS 2 Ca 0.00 -0.29 0.25 0.00 0.00 0.00 0.00 55.97 55.94 2k45 s LYS 2 Cb 0.00 0.03 0.61 0.00 0.00 0.00 0.00 37.83 38.47 2k45 s LYS 2 CO 0.00 -0.72 1.52 -0.11 0.00 0.00 0.00 175.35 176.04 2k45 n LEU 3 N 3.68 0.57 0.00 2.77 -0.00 -0.17 -4.34 117.00 119.50 2k45 n LEU 3 Ca 0.10 0.28 0.00 0.00 -0.00 0.00 0.00 56.01 56.39 2k45 n LEU 3 Cb 0.60 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 2k45 n LEU 3 CO -0.06 -0.03 0.00 0.61 -0.00 0.00 0.00 177.39 177.91 2k45 n GLY 4 N 1.39 -1.37 3.18 -3.96 0.00 -1.09 -2.73 105.19 100.60 2k45 n GLY 4 Ca 0.05 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.29 1.61 1.02 -1.22 -0.68 119.74 121.03 2k45 s LYS 5 Ca 0.00 -1.34 0.01 0.00 0.02 0.00 0.00 55.97 54.66 2k45 s LYS 5 Cb 0.00 -0.25 0.09 0.00 -0.52 0.00 0.00 37.83 37.15 2k45 s LYS 5 CO 0.00 -0.01 0.04 -1.17 -0.92 0.00 0.00 175.35 173.29 2k45 s LEU 6 N -3.04 2.93 -0.40 3.17 0.20 0.23 -1.05 118.68 120.73 2k45 s LEU 6 Ca 0.12 -1.61 -0.15 0.00 0.69 0.00 0.00 54.13 53.19 2k45 s LEU 6 Cb 0.05 -1.13 0.02 0.00 -0.43 0.00 0.00 46.19 44.69 2k45 s LEU 6 CO -0.04 -0.35 0.29 -1.10 -0.29 0.00 0.00 176.35 174.85 2k45 s GLN 7 N 1.38 3.04 0.00 1.98 1.11 -1.01 -2.38 119.66 123.78 2k45 s GLN 7 Ca 0.05 -0.97 0.00 0.00 0.01 0.00 0.00 55.36 54.45 2k45 s GLN 7 Cb -0.18 -3.95 0.00 0.00 -1.01 0.00 0.00 33.01 27.87 2k45 s GLN 7 CO -0.15 -0.71 0.00 0.98 0.01 0.00 0.00 175.29 175.43 2k45 n TYR 8 N 5.15 0.00 -4.07 0.91 9.36 -0.93 -2.88 117.16 124.69 2k45 n TYR 8 Ca -0.11 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.86 2k45 n TYR 8 Cb 0.47 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 39.01 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 1.82 -0.11 2.98 1.04 -1.05 -1.78 113.70 118.60 2k45 s SER 9 Ca 0.00 -0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 2k45 s SER 9 Cb 0.00 -0.72 -0.03 0.00 0.10 0.00 0.00 66.02 65.37 2k45 s SER 9 CO 0.00 -0.09 -0.03 -0.76 0.98 0.00 0.00 173.24 173.34 2k45 s LEU 10 N 1.40 3.35 0.32 2.42 2.01 0.26 -2.41 118.68 126.02 2k45 s LEU 10 Ca -0.02 -0.01 0.03 0.00 0.01 0.00 0.00 54.13 54.15 2k45 s LEU 10 Cb -0.13 -1.78 -0.06 0.00 0.01 0.00 0.00 46.19 44.23 2k45 s LEU 10 CO -0.04 0.28 0.07 -0.62 1.01 0.00 0.00 176.35 177.05 2k45 s ASP 11 N -0.33 2.15 -0.13 2.29 -1.08 0.22 -0.11 116.67 119.69 2k45 s ASP 11 Ca 0.06 -1.39 -0.05 0.00 -0.52 0.00 0.00 52.55 50.65 2k45 s ASP 11 Cb -0.12 -0.01 0.06 0.00 -1.46 0.00 0.00 42.92 41.39 2k45 s ASP 11 CO 0.02 -0.65 0.27 -0.47 0.52 0.00 0.00 175.17 174.86 2k45 s TYR 12 N -3.39 -0.43 -0.11 -5.34 5.04 0.10 0.75 117.35 113.98 2k45 s TYR 12 Ca 0.36 0.98 -0.21 0.00 -2.44 0.00 0.00 57.07 55.77 2k45 s TYR 12 Cb 0.08 -0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.33 2k45 s TYR 12 CO 0.15 -0.35 0.59 0.34 -1.34 0.00 0.00 175.55 174.94 2k45 s ASP 13 N 2.37 6.81 0.05 4.32 -1.08 -0.93 -4.66 116.67 123.56 2k45 s ASP 13 Ca 0.01 0.97 0.17 0.00 -0.52 0.00 0.00 52.55 53.17 2k45 s ASP 13 Cb -0.12 -2.35 -0.14 0.00 -1.46 0.00 0.00 42.92 38.85 2k45 s ASP 13 CO -0.09 -0.08 0.80 2.22 0.52 0.00 0.00 175.17 178.55 2k45 n PHE 14 N 3.90 0.98 0.51 -5.34 -1.74 -1.26 -1.12 117.46 113.39 2k45 n PHE 14 Ca -0.04 0.33 0.08 0.00 -0.56 0.00 0.00 57.45 57.26 2k45 n PHE 14 Cb 0.51 -1.09 0.23 0.00 1.52 0.00 0.00 39.48 40.64 2k45 n PHE 14 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k45 n GLN 15 N -2.89 2.10 0.00 3.97 -0.00 -1.26 -1.78 117.38 117.52 2k45 n GLN 15 Ca -0.10 -1.71 0.04 0.00 -0.00 0.00 0.00 57.00 55.23 2k45 n GLN 15 Cb 0.85 -1.38 0.02 0.00 -0.00 0.00 0.00 30.24 29.73 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 0.89 1.45 -3.59 2.61 0.23 -1.25 -5.03 115.26 110.57 2k45 n ASN 16 Ca 0.16 -1.23 -0.26 0.00 -0.53 0.00 0.00 54.58 52.72 2k45 n ASN 16 Cb 0.41 0.22 0.05 0.00 -2.08 0.00 0.00 39.78 38.38 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 0.13 -4.98 -4.13 0.53 4.05 -0.73 -4.90 115.26 105.23 2k45 n ASN 17 Ca 0.04 -0.93 -0.21 0.00 0.45 0.00 0.00 54.58 53.94 2k45 n ASN 17 Cb 0.20 -3.86 -0.14 0.00 1.23 0.00 0.00 39.78 37.22 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 -5.64 0.98 0.16 1.20 1.03 -0.27 -1.67 119.66 115.46 2k45 s GLN 18 Ca 0.40 -0.69 -0.19 0.00 0.04 0.00 0.00 55.36 54.92 2k45 s GLN 18 Cb -0.12 -0.98 -0.08 0.00 0.03 0.00 0.00 33.01 31.86 2k45 s GLN 18 CO 0.83 0.25 0.66 -0.51 -2.54 0.00 0.00 175.29 173.98 2k45 s LEU 19 N -0.92 4.42 -0.12 2.60 1.43 -1.04 -2.18 118.68 122.88 2k45 s LEU 19 Ca 0.03 1.34 -0.00 0.00 -1.03 0.00 0.00 54.13 54.47 2k45 s LEU 19 Cb -0.07 -3.31 0.02 0.00 0.03 0.00 0.00 46.19 42.86 2k45 s LEU 19 CO 0.01 0.13 -0.09 -0.22 0.23 0.00 0.00 176.35 176.40 2k45 s LEU 20 N -1.65 1.32 -0.53 1.79 0.20 0.23 -1.80 118.68 118.25 2k45 s LEU 20 Ca 0.37 -0.34 0.04 0.00 0.69 0.00 0.00 54.13 54.89 2k45 s LEU 20 Cb -0.18 -0.92 0.15 0.00 -0.43 0.00 0.00 46.19 44.81 2k45 s LEU 20 CO 0.21 -0.10 0.33 0.68 -0.29 0.00 0.00 176.35 177.18 2k45 s VAL 21 N 1.60 1.97 -0.97 1.68 -7.23 -1.23 0.73 120.40 116.94 2k45 s VAL 21 Ca 0.04 -3.22 -0.16 0.00 -1.81 0.00 0.00 61.98 56.82 2k45 s VAL 21 Cb -0.13 -2.34 0.17 0.00 0.56 0.00 0.00 36.38 34.63 2k45 s VAL 21 CO -0.08 -0.94 1.10 -0.83 -0.31 0.00 0.00 175.10 174.04 2k45 s GLY 22 N -0.33 2.25 0.00 2.32 0.00 -1.01 -0.42 107.32 110.13 2k45 s GLY 22 Ca 0.21 -3.06 0.00 0.00 0.00 0.00 0.00 44.72 41.87 2k45 s GLY 22 CO -0.07 1.81 0.00 1.39 0.00 0.00 0.00 173.10 176.23 2k45 n ILE 23 N 4.84 0.00 0.00 0.90 2.08 -1.20 -2.53 119.36 123.45 2k45 n ILE 23 Ca 0.24 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.55 2k45 n ILE 23 Cb 0.47 -1.32 0.00 0.00 -0.75 0.00 0.00 39.64 38.04 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 -3.70 1.39 5.41 -1.14 -3.17 119.36 118.15 2k45 n ILE 24 Ca 0.00 0.12 -0.12 0.00 1.00 0.00 0.00 62.75 63.75 2k45 n ILE 24 Cb 0.00 -1.03 -0.06 0.00 -0.71 0.00 0.00 39.64 37.83 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 -0.76 0.91 0.01 0.38 1.03 -1.26 0.12 119.66 120.08 2k45 s GLN 25 Ca 0.00 -0.49 0.00 0.00 0.04 0.00 0.00 55.36 54.91 2k45 s GLN 25 Cb 0.00 0.40 -0.04 0.00 0.03 0.00 0.00 33.01 33.40 2k45 s GLN 25 CO 0.00 -0.31 0.07 0.00 -2.54 0.00 0.00 175.29 172.50 2k45 s ALA 26 N -2.78 3.53 -0.07 2.60 0.00 -1.08 -2.41 121.76 121.55 2k45 s ALA 26 Ca -0.03 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2k45 s ALA 26 Cb -0.00 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.62 2k45 s ALA 26 CO -0.05 0.69 -0.12 0.00 0.00 0.00 0.00 175.76 176.28 2k45 s ALA 27 N -1.20 1.30 -0.87 0.00 0.00 -0.21 -2.94 121.76 117.84 2k45 s ALA 27 Ca 0.23 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 2k45 s ALA 27 Cb -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2k45 s ALA 27 CO 0.14 0.09 0.72 0.39 0.00 0.00 0.00 175.76 177.11 2k45 n GLU 28 N 3.87 -4.81 -2.63 0.00 1.02 0.11 -3.38 120.64 114.82 2k45 n GLU 28 Ca -0.22 0.61 -0.31 0.00 -0.02 0.00 0.00 57.16 57.21 2k45 n GLU 28 Cb 0.52 -4.91 -0.03 0.00 -0.02 0.00 0.00 31.44 27.00 2k45 n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k45 s LEU 29 N -5.14 3.72 0.52 -4.62 1.43 0.18 -4.12 118.68 110.65 2k45 s LEU 29 Ca 0.03 1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 54.24 2k45 s LEU 29 Cb -0.01 -4.24 -0.06 0.00 0.03 0.00 0.00 46.19 41.90 2k45 s LEU 29 CO 0.52 -0.49 1.39 -2.84 0.23 0.00 0.00 176.35 175.15 2k45 s PRO 30 N -3.98 3.28 -0.06 1.29 0.02 -1.26 -4.68 135.00 129.61 2k45 s PRO 30 Ca 0.55 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.58 2k45 s PRO 30 Cb -0.10 -2.37 -0.02 0.00 0.02 0.00 0.00 34.50 32.03 2k45 s PRO 30 CO 0.32 -1.10 1.00 0.00 -0.33 0.00 0.00 177.00 176.89 2k45 s ALA 31 N -1.27 3.31 -0.34 -1.55 0.00 -1.26 -4.62 121.76 116.03 2k45 s ALA 31 Ca 0.69 0.45 0.08 0.00 0.00 0.00 0.00 51.96 53.18 2k45 s ALA 31 Cb -0.42 -3.40 0.45 0.00 0.00 0.00 0.00 23.12 19.75 2k45 s ALA 31 CO 0.51 -0.46 1.14 1.28 0.00 0.00 0.00 175.76 178.23 2k45 n LEU 32 N 4.56 4.47 -3.91 0.00 7.99 -0.88 -4.81 117.00 124.41 2k45 n LEU 32 Ca 0.08 -4.76 -0.10 0.00 -0.01 0.00 0.00 56.01 51.23 2k45 n LEU 32 Cb 0.50 -0.29 -0.09 0.00 -0.11 0.00 0.00 43.42 43.42 2k45 n LEU 32 CO 0.52 2.06 -0.19 -0.62 -1.51 0.00 0.00 177.39 177.65 2k45 s ASP 33 N -3.57 0.14 -1.51 -1.43 2.15 -0.15 -4.30 116.67 108.00 2k45 s ASP 33 Ca 0.47 -0.48 -0.11 0.00 0.43 0.00 0.00 52.55 52.87 2k45 s ASP 33 Cb 0.40 0.24 -0.06 0.00 -0.30 0.00 0.00 42.92 43.20 2k45 s ASP 33 CO -0.05 -0.51 2.72 0.23 -0.17 0.00 0.00 175.17 177.40 2k45 n MET 34 N 0.80 3.35 -0.17 4.34 2.81 -1.26 -2.42 117.12 124.57 2k45 n MET 34 Ca -0.19 -2.21 0.00 0.00 -1.81 0.00 0.00 57.70 53.49 2k45 n MET 34 Cb 0.58 -2.87 0.00 0.00 -0.71 0.00 0.00 33.22 30.22 2k45 n MET 34 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k45 n GLY 35 N 3.72 0.47 3.56 3.03 0.00 -1.26 -4.98 105.19 109.72 2k45 n GLY 35 Ca 0.70 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.46 2k45 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k45 n GLY 36 N 0.00 -0.51 3.28 -0.02 0.00 -1.02 -4.98 105.19 101.94 2k45 n GLY 36 Ca 0.00 0.18 -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 -3.21 0.00 0.27 2.61 -4.23 -1.26 -4.85 115.64 104.97 2k45 s THR 37 Ca 0.53 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.10 2k45 s THR 37 Cb -0.25 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 71.03 2k45 s THR 37 CO 0.65 0.00 -0.01 -0.94 -0.54 0.00 0.00 174.62 173.78 2k45 s SER 38 N -3.34 2.25 -0.75 3.99 1.04 -1.26 -0.97 113.70 114.65 2k45 s SER 38 Ca 0.40 -1.24 0.03 0.00 0.48 0.00 0.00 55.95 55.62 2k45 s SER 38 Cb 0.03 -0.07 0.26 0.00 0.10 0.00 0.00 66.02 66.34 2k45 s SER 38 CO 0.25 -0.48 0.92 0.47 0.98 0.00 0.00 173.24 175.38 2k45 n ASP 39 N -0.53 4.40 -4.63 7.02 9.92 -1.25 -1.17 116.55 130.31 2k45 n ASP 39 Ca -0.05 -3.43 -0.43 0.00 -0.53 0.00 0.00 54.79 50.35 2k45 n ASP 39 Cb 0.64 -0.82 -0.01 0.00 -0.64 0.00 0.00 41.12 40.29 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 1.02 1.58 -3.64 -0.24 -0.04 -1.23 -1.33 135.00 131.13 2k45 n PRO 40 Ca 0.29 0.56 -0.06 0.00 -0.04 0.00 0.00 63.50 64.24 2k45 n PRO 40 Cb 0.39 -2.03 -0.07 0.00 -0.04 0.00 0.00 33.50 31.75 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 -1.12 -0.89 -0.23 0.54 -0.85 -0.83 -2.59 117.35 111.38 2k45 s TYR 41 Ca 0.59 1.80 -0.17 0.00 -0.52 0.00 0.00 57.07 58.76 2k45 s TYR 41 Cb -0.63 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.20 2k45 s TYR 41 CO 0.60 -0.44 0.46 0.08 -1.52 0.00 0.00 175.55 174.73 2k45 s VAL 42 N 1.46 5.13 -0.20 -3.49 1.01 -1.26 0.16 120.40 123.21 2k45 s VAL 42 Ca -0.09 0.81 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 2k45 s VAL 42 Cb -0.05 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2k45 s VAL 42 CO -0.17 0.17 0.14 -0.54 0.00 0.00 0.00 175.10 174.70 2k45 s LYS 43 N 1.77 4.18 -0.07 2.72 1.02 0.25 -3.77 119.74 125.83 2k45 s LYS 43 Ca 0.21 -0.20 0.05 0.00 0.02 0.00 0.00 55.97 56.04 2k45 s LYS 43 Cb -0.15 -3.43 -0.00 0.00 -0.52 0.00 0.00 37.83 33.72 2k45 s LYS 43 CO 0.09 0.28 -0.22 0.08 -0.92 0.00 0.00 175.35 174.65 2k45 s VAL 44 N 0.43 1.86 0.22 3.17 1.01 -1.26 0.48 120.40 126.31 2k45 s VAL 44 Ca 0.08 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2k45 s VAL 44 Cb -0.11 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 2k45 s VAL 44 CO -0.01 0.52 0.11 -0.36 0.00 0.00 0.00 175.10 175.35 2k45 s PHE 45 N 0.15 1.32 0.10 5.22 0.08 0.21 -1.14 117.98 123.92 2k45 s PHE 45 Ca -0.11 -1.27 0.03 0.00 0.12 0.00 0.00 56.93 55.70 2k45 s PHE 45 Cb -0.15 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 2k45 s PHE 45 CO 0.06 -0.48 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.44 2k45 s LEU 46 N -3.23 2.44 0.21 -0.37 2.96 -1.25 -2.01 118.68 117.44 2k45 s LEU 46 Ca 0.37 -0.88 -0.13 0.00 -0.22 0.00 0.00 54.13 53.27 2k45 s LEU 46 Cb 0.07 -0.20 -0.07 0.00 0.50 0.00 0.00 46.19 46.49 2k45 s LEU 46 CO 0.12 -0.35 0.59 -0.76 -1.32 0.00 0.00 176.35 174.64 2k45 s LEU 47 N -2.66 4.24 0.00 -0.68 1.43 0.14 -3.20 118.68 117.94 2k45 s LEU 47 Ca 0.07 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 2k45 s LEU 47 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2k45 s LEU 47 CO -0.02 -0.01 0.00 -2.65 0.23 0.00 0.00 176.35 173.90 2k45 n PRO 48 N 0.30 0.00 -0.10 1.29 -0.02 -1.26 -3.79 135.00 131.41 2k45 n PRO 48 Ca -0.02 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.26 2k45 n PRO 48 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.90 2k45 n PRO 48 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k45 n ASP 49 N 0.00 1.86 -1.81 2.55 -0.08 -1.26 -5.07 116.55 112.74 2k45 n ASP 49 Ca 0.00 0.45 -0.01 0.00 -1.51 0.00 0.00 54.79 53.72 2k45 n ASP 49 Cb 0.00 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 42.52 2k45 n ASP 49 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2k45 n LYS 50 N -4.45 -0.41 -1.64 -0.67 4.76 -1.20 -4.84 118.16 109.72 2k45 n LYS 50 Ca -0.30 0.79 -0.15 0.00 -2.87 0.00 0.00 58.31 55.77 2k45 n LYS 50 Cb 0.64 -2.41 -0.08 0.00 -1.84 0.00 0.00 35.03 31.34 2k45 n LYS 50 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2k45 s LYS 51 N -2.11 1.63 -0.48 1.97 1.02 -1.26 -3.90 119.74 116.62 2k45 s LYS 51 Ca 0.03 0.19 -0.16 0.00 0.02 0.00 0.00 55.97 56.04 2k45 s LYS 51 Cb -0.01 -4.86 0.07 0.00 -0.52 0.00 0.00 37.83 32.51 2k45 s LYS 51 CO 0.16 -4.55 0.43 -1.59 -0.92 0.00 0.00 175.35 168.89 2k45 s LYS 52 N 8.56 3.00 0.04 1.68 0.00 -1.21 -3.03 119.74 128.78 2k45 s LYS 52 Ca 0.87 -1.26 -0.30 0.00 0.00 0.00 0.00 55.97 55.28 2k45 s LYS 52 Cb -0.10 -4.12 -0.07 0.00 0.00 0.00 0.00 37.83 33.53 2k45 s LYS 52 CO 0.09 -1.05 1.56 0.21 0.00 0.00 0.00 175.35 176.16 2k45 s LYS 53 N 1.82 4.23 0.36 1.78 2.47 -0.29 -4.64 119.74 125.46 2k45 s LYS 53 Ca 0.06 2.19 -0.08 0.00 -1.56 0.00 0.00 55.97 56.58 2k45 s LYS 53 Cb -0.23 -3.61 -0.06 0.00 -1.46 0.00 0.00 37.83 32.47 2k45 s LYS 53 CO 0.08 -0.68 0.69 -0.06 0.16 0.00 0.00 175.35 175.53 2k45 s PHE 54 N 2.64 3.47 -0.01 4.03 0.08 -1.26 -4.73 117.98 122.20 2k45 s PHE 54 Ca 0.70 0.89 0.04 0.00 0.12 0.00 0.00 56.93 58.68 2k45 s PHE 54 Cb -0.36 -2.31 -0.01 0.00 -0.57 0.00 0.00 43.02 39.77 2k45 s PHE 54 CO 0.30 0.00 -0.13 -2.00 -0.10 0.00 0.00 175.22 173.29 2k45 s GLU 55 N -3.74 1.03 0.60 0.44 2.12 -1.26 -4.71 118.70 113.17 2k45 s GLU 55 Ca 0.48 -0.49 -0.19 0.00 0.36 0.00 0.00 54.97 55.14 2k45 s GLU 55 Cb -0.10 -1.00 -0.03 0.00 0.26 0.00 0.00 34.13 33.26 2k45 s GLU 55 CO 0.31 0.27 1.19 0.95 -0.54 0.00 0.00 175.26 177.44 2k45 s THR 56 N -0.35 2.72 0.41 -1.70 -4.23 -1.25 -4.97 115.64 106.26 2k45 s THR 56 Ca 0.05 0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 60.73 2k45 s THR 56 Cb -0.05 -3.15 -0.09 0.00 1.34 0.00 0.00 72.50 70.55 2k45 s THR 56 CO -0.00 -0.11 1.29 -0.54 -0.54 0.00 0.00 174.62 174.72 2k45 s LYS 57 N -3.39 3.97 -0.12 3.99 -0.14 -1.26 -4.80 119.74 118.00 2k45 s LYS 57 Ca 0.76 2.12 -0.30 0.00 -1.36 0.00 0.00 55.97 57.19 2k45 s LYS 57 Cb -0.29 -2.75 -0.02 0.00 -1.68 0.00 0.00 37.83 33.10 2k45 s LYS 57 CO 0.33 -0.48 1.16 0.14 -0.76 0.00 0.00 175.35 175.75 2k45 s VAL 58 N -1.28 4.41 -0.83 3.17 -7.23 -1.26 -4.70 120.40 112.68 2k45 s VAL 58 Ca 0.57 1.71 -0.15 0.00 -1.81 0.00 0.00 61.98 62.30 2k45 s VAL 58 Cb -0.37 -4.10 0.20 0.00 0.56 0.00 0.00 36.38 32.67 2k45 s VAL 58 CO 0.48 -0.06 0.81 -1.00 -0.31 0.00 0.00 175.10 175.02 2k45 s HIS 59 N 2.67 3.65 0.01 2.82 3.76 -1.07 -4.99 115.29 122.13 2k45 s HIS 59 Ca 0.53 -1.87 -0.30 0.00 -0.15 0.00 0.00 55.06 53.26 2k45 s HIS 59 Cb -0.21 -3.89 -0.06 0.00 1.11 0.00 0.00 32.58 29.53 2k45 s HIS 59 CO 0.17 -1.07 1.43 -0.98 -0.85 0.00 0.00 174.74 173.44 2k45 s ARG 60 N 0.61 4.27 -0.68 1.40 1.04 -1.26 -3.48 118.95 120.85 2k45 s ARG 60 Ca 0.20 2.01 -0.00 0.00 -1.04 0.00 0.00 55.73 56.90 2k45 s ARG 60 Cb -0.10 -3.57 -0.00 0.00 -2.04 0.00 0.00 34.95 29.24 2k45 s ARG 60 CO -0.08 -0.59 0.56 1.63 -0.04 0.00 0.00 175.30 176.78 2k45 n LYS 61 N 5.37 -3.68 -3.68 3.89 4.76 -0.68 -4.96 118.16 119.17 2k45 n LYS 61 Ca 0.13 0.48 -0.10 0.00 -2.87 0.00 0.00 58.31 55.95 2k45 n LYS 61 Cb 0.43 -4.39 -0.11 0.00 -1.84 0.00 0.00 35.03 29.12 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 -3.20 -0.23 -1.95 -0.18 -4.23 -0.32 -4.82 115.64 100.72 2k45 s THR 62 Ca 0.01 0.13 0.30 0.00 -1.18 0.00 0.00 61.69 60.94 2k45 s THR 62 Cb -0.00 -0.61 0.68 0.00 1.34 0.00 0.00 72.50 73.91 2k45 s THR 62 CO 0.41 0.05 2.02 0.18 -0.54 0.00 0.00 174.62 176.75 2k45 n LEU 63 N 4.65 0.41 -3.41 4.79 7.99 -1.26 -4.02 117.00 126.15 2k45 n LEU 63 Ca -0.18 -0.07 -0.26 0.00 -0.01 0.00 0.00 56.01 55.49 2k45 n LEU 63 Cb 0.53 -0.08 -0.09 0.00 -0.11 0.00 0.00 43.42 43.67 2k45 n LEU 63 CO 0.06 0.07 -0.25 -3.20 -1.51 0.00 0.00 177.39 172.55 2k45 n ASN 64 N -0.79 0.37 -4.91 -1.43 4.05 -1.26 0.06 115.26 111.34 2k45 n ASN 64 Ca 0.20 -2.62 -0.27 0.00 0.45 0.00 0.00 54.58 52.33 2k45 n ASN 64 Cb 0.21 -0.61 -0.02 0.00 1.23 0.00 0.00 39.78 40.60 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 -0.58 3.60 -0.19 1.20 0.04 -1.15 -4.92 135.00 132.99 2k45 s PRO 65 Ca 0.33 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.45 2k45 s PRO 65 Cb 0.07 -2.52 0.04 0.00 0.04 0.00 0.00 34.50 32.13 2k45 s PRO 65 CO -0.16 0.02 -0.08 0.14 0.04 0.00 0.00 177.00 176.95 2k45 s VAL 66 N -2.40 1.45 -0.15 -0.36 -7.23 -1.26 -2.62 120.40 107.83 2k45 s VAL 66 Ca 0.45 -0.91 -0.21 0.00 -1.81 0.00 0.00 61.98 59.51 2k45 s VAL 66 Cb -0.10 -1.58 -0.24 0.00 0.56 0.00 0.00 36.38 35.01 2k45 s VAL 66 CO 0.36 0.12 0.48 2.19 -0.31 0.00 0.00 175.10 177.95 2k45 h PHE 67 N 8.02 0.19 -5.93 2.82 -5.15 -0.70 -3.47 116.94 112.72 2k45 h PHE 67 Ca -0.25 -0.14 -0.20 0.00 -0.20 0.00 0.00 57.97 57.18 2k45 h PHE 67 Cb 1.10 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.26 2k45 h PHE 67 CO 0.48 1.41 -0.52 0.09 -2.00 0.00 0.00 178.31 177.77 2k45 n ASN 68 N -4.25 -6.61 -3.64 -0.68 4.13 0.32 -4.95 115.26 99.57 2k45 n ASN 68 Ca -0.24 -0.34 -0.04 0.00 1.68 0.00 0.00 54.58 55.64 2k45 n ASN 68 Cb 0.73 -3.77 -0.06 0.00 -1.54 0.00 0.00 39.78 35.14 2k45 n ASN 68 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2k45 s GLU 69 N -3.61 0.64 0.05 3.52 -1.05 -1.19 -4.95 118.70 112.10 2k45 s GLU 69 Ca 0.05 1.32 -0.31 0.00 -0.15 0.00 0.00 54.97 55.89 2k45 s GLU 69 Cb -0.01 0.50 -0.06 0.00 -0.44 0.00 0.00 34.13 34.12 2k45 s GLU 69 CO 0.81 -0.17 1.29 1.14 0.95 0.00 0.00 175.26 179.28 2k45 s GLN 70 N 2.25 4.36 -0.75 -4.83 1.03 -1.25 -3.27 119.66 117.20 2k45 s GLN 70 Ca -0.08 1.88 -0.16 0.00 0.04 0.00 0.00 55.36 57.04 2k45 s GLN 70 Cb -0.08 -3.39 0.16 0.00 0.03 0.00 0.00 33.01 29.73 2k45 s GLN 70 CO -0.19 -0.39 0.79 -0.06 -2.54 0.00 0.00 175.29 172.89 2k45 s PHE 71 N 1.48 3.38 0.00 9.60 0.08 0.44 -4.74 117.98 128.22 2k45 s PHE 71 Ca 0.61 -1.53 0.00 0.00 0.12 0.00 0.00 56.93 56.14 2k45 s PHE 71 Cb -0.31 -3.96 0.00 0.00 -0.57 0.00 0.00 43.02 38.18 2k45 s PHE 71 CO 0.28 -1.17 0.00 0.25 -0.10 0.00 0.00 175.22 174.48 2k45 n THR 72 N 4.84 0.00 -3.61 0.64 -2.24 -1.26 -3.55 114.28 109.09 2k45 n THR 72 Ca 0.06 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 2k45 n THR 72 Cb 0.45 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 2k45 n THR 72 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2k45 s PHE 73 N -0.08 3.80 -1.00 4.78 -0.71 -0.74 -3.32 117.98 120.70 2k45 s PHE 73 Ca 0.00 -2.85 -0.01 0.00 -1.04 0.00 0.00 56.93 53.02 2k45 s PHE 73 Cb 0.00 -3.32 0.32 0.00 -1.21 0.00 0.00 43.02 38.81 2k45 s PHE 73 CO 0.00 -0.80 1.88 1.17 -1.34 0.00 0.00 175.22 176.13 2k45 n LYS 74 N 2.75 4.94 -3.66 1.99 0.00 -1.25 -4.18 118.16 118.75 2k45 n LYS 74 Ca 0.18 -4.43 -0.08 0.00 0.00 0.00 0.00 58.31 53.98 2k45 n LYS 74 Cb 0.38 -2.43 -0.08 0.00 0.00 0.00 0.00 35.03 32.89 2k45 n LYS 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2k45 s VAL 75 N -4.42 -0.30 0.61 3.15 0.11 -1.26 -3.98 120.40 114.31 2k45 s VAL 75 Ca 0.42 0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 59.34 2k45 s VAL 75 Cb 0.24 -0.80 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2k45 s VAL 75 CO -0.18 0.03 1.30 -2.84 -3.33 0.00 0.00 175.10 170.08 2k45 s PRO 76 N 1.95 2.78 0.17 1.54 0.02 -0.67 -2.49 135.00 138.30 2k45 s PRO 76 Ca -0.08 2.09 -0.03 0.00 0.02 0.00 0.00 61.00 63.01 2k45 s PRO 76 Cb -0.09 -1.98 0.02 0.00 0.02 0.00 0.00 34.50 32.48 2k45 s PRO 76 CO -0.16 -1.43 1.41 0.10 -0.33 0.00 0.00 177.00 176.59 2k45 h TYR 77 N 0.87 0.59 -0.70 6.54 -0.00 -1.91 0.82 116.97 123.18 2k45 h TYR 77 Ca -0.51 -0.27 0.02 0.00 -0.00 0.00 0.00 58.73 57.97 2k45 h TYR 77 Cb 1.32 -0.09 -0.04 0.00 -0.00 0.00 0.00 36.73 37.93 2k45 h TYR 77 CO 0.43 1.04 0.46 0.66 -0.00 0.00 0.00 178.16 180.75 2k45 h SER 78 N 0.29 0.76 1.17 0.10 4.64 -1.96 -2.27 113.55 116.28 2k45 h SER 78 Ca -0.04 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2k45 h SER 78 Cb 1.34 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2k45 h SER 78 CO 0.13 0.54 -0.57 -0.33 -0.87 0.00 0.00 176.83 175.73 2k45 h GLU 79 N 0.89 0.00 -0.50 4.77 5.08 -1.71 -3.29 114.58 119.82 2k45 h GLU 79 Ca 0.27 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 2k45 h GLU 79 Cb -0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2k45 h GLU 79 CO -0.07 0.00 0.33 1.25 -1.00 0.00 0.00 179.01 179.52 2k45 h LEU 80 N 0.00 0.48 -0.98 1.33 5.85 0.13 -2.77 115.31 119.33 2k45 h LEU 80 Ca 0.00 -0.01 0.36 0.00 0.84 0.00 0.00 57.88 59.08 2k45 h LEU 80 Cb 0.87 -0.11 -0.18 0.00 0.37 0.00 0.00 40.66 41.61 2k45 h LEU 80 CO 0.00 0.33 0.35 0.61 -0.34 0.00 0.00 178.44 179.39 2k45 n GLY 81 N -1.48 -0.94 0.23 3.75 0.00 -1.23 0.15 105.19 105.67 2k45 n GLY 81 Ca 0.06 0.85 -0.15 0.00 0.00 0.00 0.00 46.02 46.78 2k45 n GLY 81 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k45 h GLY 82 N 0.00 0.86 -5.42 -0.02 0.00 -1.78 -3.40 103.07 93.31 2k45 h GLY 82 Ca 0.75 -1.02 -0.59 0.00 0.00 0.00 0.00 47.33 46.46 2k45 h GLY 82 CO -0.81 0.92 -0.22 0.54 0.00 0.00 0.00 176.54 176.97 2k45 s LYS 83 N -4.08 4.14 -0.17 4.80 -0.14 0.40 -4.91 119.74 119.77 2k45 s LYS 83 Ca -0.11 0.33 -0.02 0.00 -1.36 0.00 0.00 55.97 54.81 2k45 s LYS 83 Cb 0.09 -3.35 -0.01 0.00 -1.68 0.00 0.00 37.83 32.88 2k45 s LYS 83 CO 0.87 0.40 -0.10 -0.08 -0.76 0.00 0.00 175.35 175.68 2k45 s THR 84 N -0.10 3.16 0.07 2.17 -1.32 -1.25 -3.12 115.64 115.25 2k45 s THR 84 Ca 0.22 -0.60 -0.30 0.00 -1.21 0.00 0.00 61.69 59.80 2k45 s THR 84 Cb -0.15 -2.37 -0.05 0.00 -1.51 0.00 0.00 72.50 68.41 2k45 s THR 84 CO 0.10 0.49 1.16 -0.76 -2.21 0.00 0.00 174.62 173.39 2k45 s LEU 85 N 0.81 4.38 -0.06 9.08 1.02 -0.48 -0.68 118.68 132.75 2k45 s LEU 85 Ca -0.03 1.97 0.04 0.00 0.02 0.00 0.00 54.13 56.13 2k45 s LEU 85 Cb -0.15 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.48 2k45 s LEU 85 CO 0.01 -0.41 -0.18 0.68 0.02 0.00 0.00 176.35 176.46 2k45 s VAL 86 N 0.91 1.58 0.04 -1.59 -7.23 -0.85 -1.89 120.40 111.37 2k45 s VAL 86 Ca 0.57 -0.77 0.08 0.00 -1.81 0.00 0.00 61.98 60.05 2k45 s VAL 86 Cb -0.28 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 2k45 s VAL 86 CO 0.30 0.45 -0.23 -0.32 -0.31 0.00 0.00 175.10 174.99 2k45 s MET 87 N 0.24 1.56 -0.15 4.82 0.00 0.48 -0.62 119.30 125.63 2k45 s MET 87 Ca -0.10 -1.01 -0.04 0.00 0.00 0.00 0.00 55.69 54.54 2k45 s MET 87 Cb -0.14 -1.70 0.05 0.00 0.00 0.00 0.00 34.83 33.05 2k45 s MET 87 CO 0.04 0.44 0.08 0.00 0.00 0.00 0.00 175.02 175.58 2k45 s ALA 88 N -0.80 0.48 -0.28 4.11 0.00 0.18 -0.02 121.76 125.43 2k45 s ALA 88 Ca 0.09 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 2k45 s ALA 88 Cb -0.09 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.05 2k45 s ALA 88 CO 0.02 -1.05 1.29 0.08 0.00 0.00 0.00 175.76 176.10 2k45 s VAL 89 N 2.10 4.18 -0.11 0.00 1.01 0.60 0.85 120.40 129.03 2k45 s VAL 89 Ca 0.02 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.36 2k45 s VAL 89 Cb -0.15 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 2k45 s VAL 89 CO -0.08 -0.42 -0.13 -0.47 0.00 0.00 0.00 175.10 174.01 2k45 s TYR 90 N 4.20 2.80 -0.13 5.22 5.04 0.41 -2.09 117.35 132.80 2k45 s TYR 90 Ca 0.56 -0.52 -0.14 0.00 -2.44 0.00 0.00 57.07 54.52 2k45 s TYR 90 Cb -0.17 -1.80 -0.05 0.00 0.35 0.00 0.00 41.96 40.29 2k45 s TYR 90 CO 0.21 -0.11 0.33 0.34 -1.34 0.00 0.00 175.55 174.97 2k45 s ASP 91 N 0.10 6.52 -0.78 4.32 2.15 -1.22 -1.97 116.67 125.79 2k45 s ASP 91 Ca -0.06 0.61 -0.26 0.00 0.43 0.00 0.00 52.55 53.27 2k45 s ASP 91 Cb -0.15 -2.20 0.03 0.00 -0.30 0.00 0.00 42.92 40.31 2k45 s ASP 91 CO 0.05 0.13 1.30 0.12 -0.17 0.00 0.00 175.17 176.60 2k45 s PHE 92 N 0.20 2.32 -2.24 -5.34 5.36 -0.44 -4.56 117.98 113.29 2k45 s PHE 92 Ca 0.19 -0.16 0.20 0.00 -0.96 0.00 0.00 56.93 56.20 2k45 s PHE 92 Cb -0.14 -4.64 0.77 0.00 -0.34 0.00 0.00 43.02 38.67 2k45 s PHE 92 CO 0.06 -2.06 1.55 -0.25 -1.46 0.00 0.00 175.22 173.06 2k45 n ASP 93 N 9.30 1.50 0.00 6.13 9.92 -1.26 -4.25 116.55 137.88 2k45 n ASP 93 Ca 0.07 -1.69 0.00 0.00 -0.53 0.00 0.00 54.79 52.64 2k45 n ASP 93 Cb 0.49 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 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 0.21 0.00 0.09 -1.24 1.74 -1.26 -3.20 116.66 113.00 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 0.30 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.05 -1.49 -1.55 7.35 -1.26 -5.11 117.46 113.35 2k45 n PHE 95 Ca 0.00 0.43 -0.30 0.00 -0.76 0.00 0.00 57.45 56.82 2k45 n PHE 95 Cb 0.00 1.10 0.19 0.00 0.35 0.00 0.00 39.48 41.11 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 -4.12 2.43 -0.09 -2.13 1.04 -1.19 -4.95 113.70 104.68 2k45 s SER 96 Ca 0.00 0.63 -0.30 0.00 0.48 0.00 0.00 55.95 56.77 2k45 s SER 96 Cb 0.00 -0.93 -0.03 0.00 0.10 0.00 0.00 66.02 65.16 2k45 s SER 96 CO 0.00 -3.19 1.38 -0.54 0.98 0.00 0.00 173.24 171.87 2k45 s LYS 97 N -5.51 4.24 -0.12 4.02 1.02 -1.26 -4.68 119.74 117.45 2k45 s LYS 97 Ca 0.70 1.86 -0.29 0.00 0.02 0.00 0.00 55.97 58.25 2k45 s LYS 97 Cb -0.10 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.40 2k45 s LYS 97 CO 0.54 -0.69 1.69 -3.38 -0.92 0.00 0.00 175.35 172.59 2k45 s HIS 98 N 3.30 1.94 -0.05 3.18 -3.43 -1.26 -4.95 115.29 114.02 2k45 s HIS 98 Ca 0.61 0.31 -0.20 0.00 -0.80 0.00 0.00 55.06 54.98 2k45 s HIS 98 Cb -0.27 -3.95 -0.05 0.00 -1.43 0.00 0.00 32.58 26.88 2k45 s HIS 98 CO 0.21 -3.61 0.57 0.34 -2.00 0.00 0.00 174.74 170.25 2k45 s ASP 99 N 4.03 6.88 0.03 7.38 2.15 -1.26 -4.90 116.67 130.97 2k45 s ASP 99 Ca 0.75 1.05 -0.30 0.00 0.43 0.00 0.00 52.55 54.47 2k45 s ASP 99 Cb -0.31 -2.34 -0.07 0.00 -0.30 0.00 0.00 42.92 39.90 2k45 s ASP 99 CO 0.30 0.04 1.68 -0.63 -0.17 0.00 0.00 175.17 176.39 2k45 s ILE 100 N 0.21 3.22 -0.01 4.11 1.09 -1.26 -3.44 121.20 125.12 2k45 s ILE 100 Ca 0.30 0.53 -0.20 0.00 -1.10 0.00 0.00 60.65 60.17 2k45 s ILE 100 Cb -0.17 -3.34 -0.24 0.00 -1.06 0.00 0.00 42.46 37.65 2k45 s ILE 100 CO 0.15 -0.02 1.07 0.16 -0.10 0.00 0.00 174.94 176.20 2k45 h ILE 101 N 5.13 1.45 -2.06 2.92 3.07 -1.77 -3.42 117.51 122.82 2k45 h ILE 101 Ca -0.42 -2.13 0.09 0.00 1.55 0.00 0.00 64.86 63.95 2k45 h ILE 101 Cb 1.20 2.69 -0.02 0.00 -0.27 0.00 0.00 36.82 40.42 2k45 h ILE 101 CO 0.94 0.61 0.31 0.61 -1.05 0.00 0.00 178.15 179.57 2k45 n GLY 102 N 1.14 0.92 3.73 0.16 0.00 -1.18 -3.66 105.19 106.31 2k45 n GLY 102 Ca -0.11 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.03 1.66 -0.01 1.61 -1.05 0.27 -0.29 118.70 118.87 2k45 s GLU 103 Ca 0.12 -1.05 0.01 0.00 -0.15 0.00 0.00 54.97 53.90 2k45 s GLU 103 Cb -0.01 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 2k45 s GLU 103 CO 0.03 -0.74 -0.02 0.12 0.95 0.00 0.00 175.26 175.60 2k45 s PHE 104 N -3.94 0.25 -0.12 4.83 2.19 0.97 -0.58 117.98 121.58 2k45 s PHE 104 Ca 0.14 -0.04 -0.02 0.00 0.33 0.00 0.00 56.93 57.35 2k45 s PHE 104 Cb -0.04 -0.18 0.04 0.00 -1.31 0.00 0.00 43.02 41.53 2k45 s PHE 104 CO 0.06 -0.02 -0.00 0.21 1.83 0.00 0.00 175.22 177.30 2k45 s LYS 105 N 0.06 0.80 -0.34 10.12 2.47 -1.26 -0.39 119.74 131.20 2k45 s LYS 105 Ca -0.00 -0.13 0.01 0.00 -1.56 0.00 0.00 55.97 54.28 2k45 s LYS 105 Cb -0.03 -1.45 0.14 0.00 -1.46 0.00 0.00 37.83 35.03 2k45 s LYS 105 CO -0.00 -0.40 0.28 0.08 0.16 0.00 0.00 175.35 175.46 2k45 s VAL 106 N 1.88 -0.16 0.53 4.02 1.01 -0.79 -5.05 120.40 121.84 2k45 s VAL 106 Ca 0.03 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.68 2k45 s VAL 106 Cb -0.14 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 2k45 s VAL 106 CO -0.07 -0.71 1.38 -2.16 0.00 0.00 0.00 175.10 173.54 2k45 s PRO 107 N 1.55 3.21 0.56 2.72 0.04 -1.26 -1.38 135.00 140.46 2k45 s PRO 107 Ca 0.15 2.29 0.27 0.00 0.04 0.00 0.00 61.00 63.75 2k45 s PRO 107 Cb -0.18 -2.32 1.51 0.00 0.04 0.00 0.00 34.50 33.55 2k45 s PRO 107 CO -0.11 -1.15 2.04 0.00 0.04 0.00 0.00 177.00 177.82 2k45 h MET 108 N 1.59 0.00 0.00 4.56 -0.00 -1.79 0.81 114.93 120.10 2k45 h MET 108 Ca -0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.18 2k45 h MET 108 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.89 2k45 h MET 108 CO 0.58 0.00 -0.04 -0.91 -0.00 0.00 0.00 176.91 176.54 2k45 h ASN 109 N 0.00 0.00 -0.47 -0.10 -0.26 -1.86 -0.90 115.58 112.00 2k45 h ASN 109 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 2k45 h ASN 109 Cb 0.72 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.98 2k45 h ASN 109 CO -0.00 0.04 0.00 0.41 -1.06 0.00 0.00 177.43 176.82 2k45 n THR 110 N -3.34 0.89 -1.60 2.81 -1.04 0.28 -5.05 114.28 107.22 2k45 n THR 110 Ca -0.02 -0.70 -0.45 0.00 -2.04 0.00 0.00 64.05 60.83 2k45 n THR 110 Cb 0.17 0.19 -0.02 0.00 -1.82 0.00 0.00 70.33 68.85 2k45 n THR 110 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2k45 n VAL 111 N 0.82 1.72 -1.95 12.58 3.14 -0.34 -4.86 118.33 129.44 2k45 n VAL 111 Ca 0.17 -0.43 -0.41 0.00 -2.96 0.00 0.00 64.34 60.71 2k45 n VAL 111 Cb 0.50 -1.02 -0.01 0.00 -1.06 0.00 0.00 33.84 32.24 2k45 n VAL 111 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2k45 s ASP 112 N -0.39 6.56 -0.96 6.55 1.11 -1.26 -4.89 116.67 123.38 2k45 s ASP 112 Ca 0.62 2.83 -0.24 0.00 0.18 0.00 0.00 52.55 55.94 2k45 s ASP 112 Cb -0.72 -2.65 0.02 0.00 1.07 0.00 0.00 42.92 40.65 2k45 s ASP 112 CO 0.58 -0.73 1.57 -0.36 1.18 0.00 0.00 175.17 177.41 2k45 s PHE 113 N -0.69 2.31 0.49 4.23 0.08 -1.26 -4.84 117.98 118.31 2k45 s PHE 113 Ca 0.55 -0.38 0.23 0.00 0.12 0.00 0.00 56.93 57.44 2k45 s PHE 113 Cb -0.43 -4.52 1.29 0.00 -0.57 0.00 0.00 43.02 38.79 2k45 s PHE 113 CO 0.53 -1.91 1.95 0.78 -0.10 0.00 0.00 175.22 176.47 2k45 h GLY 114 N 14.17 0.26 0.00 4.36 0.00 -1.91 -3.06 103.07 116.90 2k45 h GLY 114 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2k45 h GLY 114 CO 1.36 0.02 0.00 1.42 0.00 0.00 0.00 176.54 179.34 2k45 n HIS 115 N -4.40 0.00 -3.82 5.60 8.25 -1.26 0.00 115.22 119.59 2k45 n HIS 115 Ca 0.13 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.23 2k45 n HIS 115 Cb 0.65 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.63 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 0.36 3.67 -0.26 1.59 0.11 -1.21 -3.74 120.40 120.93 2k45 s VAL 116 Ca 0.00 -0.71 -0.16 0.00 -2.93 0.00 0.00 61.98 58.18 2k45 s VAL 116 Cb 0.00 -2.85 -0.03 0.00 -1.53 0.00 0.00 36.38 31.96 2k45 s VAL 116 CO 0.00 0.16 0.43 -0.89 -3.33 0.00 0.00 175.10 171.47 2k45 s THR 117 N 1.46 5.14 -0.22 5.04 2.01 0.84 -4.91 115.64 125.00 2k45 s THR 117 Ca 0.03 0.70 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 2k45 s THR 117 Cb -0.17 -3.75 0.06 0.00 0.01 0.00 0.00 72.50 68.66 2k45 s THR 117 CO 0.00 0.14 -0.00 -1.83 -0.69 0.00 0.00 174.62 172.24 2k45 s GLU 118 N 2.07 1.11 0.10 4.92 4.04 -1.26 0.89 118.70 130.57 2k45 s GLU 118 Ca 0.18 -0.75 -0.26 0.00 0.04 0.00 0.00 54.97 54.18 2k45 s GLU 118 Cb -0.16 -2.34 0.08 0.00 0.02 0.00 0.00 34.13 31.73 2k45 s GLU 118 CO 0.09 -0.65 0.81 -1.83 -1.84 0.00 0.00 175.26 171.84 2k45 s GLU 119 N 1.62 1.11 -0.50 -4.83 4.04 -0.73 -5.01 118.70 114.39 2k45 s GLU 119 Ca -0.02 -0.48 -0.21 0.00 0.04 0.00 0.00 54.97 54.30 2k45 s GLU 119 Cb -0.18 0.46 0.05 0.00 0.02 0.00 0.00 34.13 34.48 2k45 s GLU 119 CO -0.08 -0.49 0.71 -1.58 -1.84 0.00 0.00 175.26 171.98 2k45 s TRP 120 N -3.40 2.98 -0.04 4.83 0.23 -1.26 -2.19 118.94 120.09 2k45 s TRP 120 Ca 0.06 -0.30 0.01 0.00 -2.03 0.00 0.00 56.10 53.84 2k45 s TRP 120 Cb -0.02 -3.65 -0.03 0.00 0.03 0.00 0.00 33.47 29.81 2k45 s TRP 120 CO -0.06 -1.09 -0.03 0.50 0.96 0.00 0.00 176.95 177.23 2k45 s ARG 121 N 3.03 2.78 -0.10 4.98 6.06 -1.00 -4.93 118.95 129.76 2k45 s ARG 121 Ca 0.21 -0.57 -0.18 0.00 -2.50 0.00 0.00 55.73 52.69 2k45 s ARG 121 Cb -0.16 -2.65 -0.04 0.00 0.06 0.00 0.00 34.95 32.16 2k45 s ARG 121 CO 0.15 0.65 0.49 0.34 -2.50 0.00 0.00 175.30 174.43 2k45 s ASP 122 N -1.19 6.72 -0.25 -2.12 2.15 -1.26 0.76 116.67 121.47 2k45 s ASP 122 Ca 0.16 0.85 -0.19 0.00 0.43 0.00 0.00 52.55 53.80 2k45 s ASP 122 Cb -0.11 -2.29 -0.02 0.00 -0.30 0.00 0.00 42.92 40.19 2k45 s ASP 122 CO 0.06 0.02 0.56 -0.76 -0.17 0.00 0.00 175.17 174.88 2k45 s LEU 123 N 0.51 4.07 -0.12 -1.34 1.02 0.14 -4.78 118.68 118.17 2k45 s LEU 123 Ca 0.27 0.62 -0.06 0.00 0.02 0.00 0.00 54.13 54.98 2k45 s LEU 123 Cb -0.15 -2.75 -0.04 0.00 0.02 0.00 0.00 46.19 43.27 2k45 s LEU 123 CO 0.11 -0.31 0.09 0.00 0.02 0.00 0.00 176.35 176.27 2k45 s GLN 124 N 2.29 3.42 -0.02 1.70 0.00 0.25 -1.00 119.66 126.29 2k45 s GLN 124 Ca 0.24 -0.23 -0.30 0.00 -0.00 0.00 0.00 55.36 55.07 2k45 s GLN 124 Cb -0.16 -3.10 -0.07 0.00 0.00 0.00 0.00 33.01 29.69 2k45 s GLN 124 CO 0.09 0.68 1.74 0.45 0.00 0.00 0.00 175.29 178.25 2k45 s SER 125 N -0.77 6.61 0.10 12.60 0.15 -1.26 0.94 113.70 132.07 2k45 s SER 125 Ca 0.13 2.36 -0.06 0.00 0.70 0.00 0.00 55.95 59.09 2k45 s SER 125 Cb -0.12 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 2k45 s SER 125 CO 0.03 -0.96 0.35 0.00 1.20 0.00 0.00 173.24 173.86 2k45 s ALA 126 N 4.08 3.81 -1.04 5.45 0.00 -1.24 -4.60 121.76 128.22 2k45 s ALA 126 Ca 0.77 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 2k45 s ALA 126 Cb -0.36 -2.12 0.26 0.00 0.00 0.00 0.00 23.12 20.90 2k45 s ALA 126 CO 0.33 0.66 1.03 -2.00 0.00 0.00 0.00 175.76 175.78 2k45 s GLU 127 N -2.35 4.03 0.00 0.00 2.56 -1.26 -4.84 118.70 116.84 2k45 s GLU 127 Ca 0.37 -2.98 0.10 0.00 0.00 0.00 0.00 54.97 52.46 2k45 s GLU 127 Cb -0.13 -4.55 0.08 0.00 2.00 0.00 0.00 34.13 31.54 2k45 s GLU 127 CO 0.22 -1.28 0.81 1.17 -0.56 0.00 0.00 175.26 175.62