#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 0.38 0.00 3.44 0.00 -1.26 -4.66 119.74 117.65 2k45 s LYS 2 Ca 0.00 -0.32 0.26 0.00 0.00 0.00 0.00 55.97 55.91 2k45 s LYS 2 Cb 0.00 -0.00 0.69 0.00 0.00 0.00 0.00 37.83 38.51 2k45 s LYS 2 CO 0.00 -0.49 1.54 -0.11 0.00 0.00 0.00 175.35 176.28 2k45 n LEU 3 N 2.99 0.49 0.00 2.77 7.94 -0.67 -4.67 117.00 125.84 2k45 n LEU 3 Ca 0.11 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 2k45 n LEU 3 Cb 0.63 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.31 2k45 n LEU 3 CO -0.09 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 176.91 2k45 n GLY 4 N 1.47 -0.73 2.87 -3.96 0.00 -1.01 -2.68 105.19 101.14 2k45 n GLY 4 Ca 0.07 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 2k45 n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k45 n LYS 5 N 0.00 0.45 -3.48 1.61 5.02 -1.26 -1.63 118.16 118.87 2k45 n LYS 5 Ca 0.00 -2.97 -0.11 0.00 -2.02 0.00 0.00 58.31 53.21 2k45 n LYS 5 Cb 0.00 2.13 -0.10 0.00 -0.02 0.00 0.00 35.03 37.04 2k45 n LYS 5 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2k45 s LEU 6 N 0.00 -0.49 -0.12 -0.35 2.34 0.56 -2.66 118.68 117.97 2k45 s LEU 6 Ca 0.29 0.33 -0.28 0.00 0.06 0.00 0.00 54.13 54.53 2k45 s LEU 6 Cb 0.01 0.95 -0.01 0.00 -0.56 0.00 0.00 46.19 46.58 2k45 s LEU 6 CO 0.20 -0.28 0.94 -1.10 -1.06 0.00 0.00 176.35 175.05 2k45 s GLN 7 N 2.50 4.39 0.33 1.48 1.11 0.74 -0.91 119.66 129.30 2k45 s GLN 7 Ca 0.07 1.25 0.06 0.00 0.01 0.00 0.00 55.36 56.75 2k45 s GLN 7 Cb -0.14 -3.55 -0.03 0.00 -1.01 0.00 0.00 33.01 28.28 2k45 s GLN 7 CO -0.13 -0.29 0.23 1.52 0.01 0.00 0.00 175.29 176.63 2k45 s TYR 8 N 1.97 1.71 -0.21 0.91 -0.85 -1.09 0.54 117.35 120.33 2k45 s TYR 8 Ca 0.45 -1.56 -0.04 0.00 -0.52 0.00 0.00 57.07 55.40 2k45 s TYR 8 Cb -0.18 -0.79 0.09 0.00 0.38 0.00 0.00 41.96 41.46 2k45 s TYR 8 CO 0.16 -0.73 0.21 -1.54 -1.52 0.00 0.00 175.55 172.13 2k45 s SER 9 N -3.40 1.54 -0.12 -0.18 1.04 -0.68 -3.18 113.70 108.72 2k45 s SER 9 Ca 0.37 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 2k45 s SER 9 Cb 0.03 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 2k45 s SER 9 CO 0.23 -0.34 -0.06 -0.76 0.98 0.00 0.00 173.24 173.30 2k45 s LEU 10 N 2.31 3.17 0.37 2.42 1.43 0.86 -2.89 118.68 126.35 2k45 s LEU 10 Ca 0.07 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 2k45 s LEU 10 Cb -0.16 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2k45 s LEU 10 CO -0.14 0.24 0.12 1.51 0.23 0.00 0.00 176.35 178.31 2k45 s ASP 11 N -0.05 2.48 -0.06 2.29 -4.77 -0.82 0.13 116.67 115.86 2k45 s ASP 11 Ca 0.01 -1.60 0.03 0.00 -3.30 0.00 0.00 52.55 47.69 2k45 s ASP 11 Cb -0.13 0.38 0.01 0.00 -1.09 0.00 0.00 42.92 42.08 2k45 s ASP 11 CO 0.03 -0.87 -0.15 -0.72 0.70 0.00 0.00 175.17 174.16 2k45 s TYR 12 N -3.30 1.68 -0.13 2.11 1.13 -1.25 0.21 117.35 117.79 2k45 s TYR 12 Ca 0.28 -0.59 -0.20 0.00 -1.41 0.00 0.00 57.07 55.15 2k45 s TYR 12 Cb 0.04 -1.18 -0.04 0.00 -1.10 0.00 0.00 41.96 39.69 2k45 s TYR 12 CO 0.15 -0.26 0.57 0.34 -2.51 0.00 0.00 175.55 173.84 2k45 s ASP 13 N 0.42 6.74 0.07 -0.18 -1.08 -0.23 -4.97 116.67 117.45 2k45 s ASP 13 Ca -0.12 0.89 0.19 0.00 -0.52 0.00 0.00 52.55 52.98 2k45 s ASP 13 Cb -0.15 -2.33 -0.13 0.00 -1.46 0.00 0.00 42.92 38.86 2k45 s ASP 13 CO 0.04 -0.10 0.81 2.22 0.52 0.00 0.00 175.17 178.65 2k45 n PHE 14 N 4.12 0.86 0.74 -5.34 1.16 -1.26 -1.23 117.46 116.50 2k45 n PHE 14 Ca -0.04 0.28 0.10 0.00 -1.87 0.00 0.00 57.45 55.91 2k45 n PHE 14 Cb 0.51 -1.01 0.27 0.00 -1.61 0.00 0.00 39.48 37.64 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 -2.79 2.05 0.00 3.97 -0.00 -1.26 -2.02 117.38 117.32 2k45 n GLN 15 Ca -0.08 -1.60 0.06 0.00 -0.00 0.00 0.00 57.00 55.38 2k45 n GLN 15 Cb 0.77 -1.41 0.05 0.00 -0.00 0.00 0.00 30.24 29.65 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 0.80 1.99 -3.78 2.61 0.23 -1.25 -5.00 115.26 110.86 2k45 n ASN 16 Ca 0.17 -1.49 -0.23 0.00 -0.53 0.00 0.00 54.58 52.49 2k45 n ASN 16 Cb 0.42 0.03 0.01 0.00 -2.08 0.00 0.00 39.78 38.16 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 0.64 -1.02 -4.22 0.53 3.02 -0.84 -4.33 115.26 109.04 2k45 n ASN 17 Ca 0.07 -0.89 -0.30 0.00 -0.03 0.00 0.00 54.58 53.43 2k45 n ASN 17 Cb 0.31 -3.69 -0.16 0.00 -0.61 0.00 0.00 39.78 35.62 2k45 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k45 s GLN 18 N -6.16 2.28 0.44 3.52 -2.07 -0.36 -1.07 119.66 116.22 2k45 s GLN 18 Ca 0.02 -0.80 -0.14 0.00 -1.82 0.00 0.00 55.36 52.62 2k45 s GLN 18 Cb -0.01 -1.95 -0.08 0.00 -1.09 0.00 0.00 33.01 29.89 2k45 s GLN 18 CO 0.84 0.33 0.86 -0.51 -1.32 0.00 0.00 175.29 175.49 2k45 s LEU 19 N -0.10 3.79 -0.05 2.60 1.43 -1.26 -1.07 118.68 124.03 2k45 s LEU 19 Ca -0.04 1.35 0.06 0.00 -1.03 0.00 0.00 54.13 54.48 2k45 s LEU 19 Cb -0.13 -4.24 -0.01 0.00 0.03 0.00 0.00 46.19 41.84 2k45 s LEU 19 CO 0.03 -0.44 -0.24 -0.76 0.23 0.00 0.00 176.35 175.18 2k45 s LEU 20 N -3.76 2.04 -0.69 1.79 2.01 0.55 -0.12 118.68 120.50 2k45 s LEU 20 Ca 0.55 -0.48 0.05 0.00 0.01 0.00 0.00 54.13 54.26 2k45 s LEU 20 Cb -0.10 -1.30 0.17 0.00 0.01 0.00 0.00 46.19 44.97 2k45 s LEU 20 CO 0.28 0.24 0.50 0.52 1.01 0.00 0.00 176.35 178.89 2k45 n VAL 21 N 2.93 1.49 -3.21 -1.59 0.31 -0.97 -1.95 118.33 115.34 2k45 n VAL 21 Ca -0.17 -4.79 -0.46 0.00 -0.01 0.00 0.00 64.34 58.90 2k45 n VAL 21 Cb 0.52 -2.15 -0.03 0.00 -0.91 0.00 0.00 33.84 31.27 2k45 n VAL 21 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2k45 s GLY 22 N -1.42 2.33 0.00 2.92 0.00 -1.14 -3.05 107.32 106.96 2k45 s GLY 22 Ca 0.26 -2.97 0.00 0.00 0.00 0.00 0.00 44.72 42.01 2k45 s GLY 22 CO -0.17 1.45 0.00 0.29 0.00 0.00 0.00 173.10 174.68 2k45 n ILE 23 N 4.64 0.00 0.00 0.90 -5.35 0.23 -1.68 119.36 118.10 2k45 n ILE 23 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 2k45 n ILE 23 Cb 0.46 -1.44 0.00 0.00 -1.74 0.00 0.00 39.64 36.92 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2k45 n ILE 24 N 0.00 0.00 -3.64 7.28 5.41 0.19 -3.58 119.36 125.01 2k45 n ILE 24 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2k45 n ILE 24 Cb 0.00 -0.46 -0.07 0.00 -0.71 0.00 0.00 39.64 38.41 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 -0.30 0.33 -0.29 0.38 1.03 -1.07 0.12 119.66 119.86 2k45 s GLN 25 Ca 0.00 0.49 -0.25 0.00 0.04 0.00 0.00 55.36 55.64 2k45 s GLN 25 Cb 0.00 0.11 0.17 0.00 0.03 0.00 0.00 33.01 33.32 2k45 s GLN 25 CO 0.00 -0.06 1.33 0.00 -2.54 0.00 0.00 175.29 174.03 2k45 s ALA 26 N 0.81 -2.16 0.00 2.60 0.00 -0.66 -0.18 121.76 122.17 2k45 s ALA 26 Ca -0.03 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.66 2k45 s ALA 26 Cb -0.04 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.39 2k45 s ALA 26 CO -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 175.76 175.51 2k45 n ALA 27 N 1.75 0.00 -1.57 0.00 0.00 -1.09 -4.10 120.51 115.51 2k45 n ALA 27 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 2k45 n ALA 27 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 2k45 n ALA 27 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k45 n GLU 28 N 0.00 -1.00 -3.95 0.00 -0.58 0.37 -3.19 120.64 112.30 2k45 n GLU 28 Ca 0.00 0.01 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 2k45 n GLU 28 Cb 0.00 -0.27 -0.03 0.00 -0.57 0.00 0.00 31.44 30.56 2k45 n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k45 s LEU 29 N -1.25 4.32 0.42 -4.62 1.43 0.26 -3.31 118.68 115.93 2k45 s LEU 29 Ca 0.04 0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 53.07 2k45 s LEU 29 Cb -0.03 -2.90 -0.09 0.00 0.03 0.00 0.00 46.19 43.21 2k45 s LEU 29 CO 0.05 0.09 1.34 -2.84 0.23 0.00 0.00 176.35 175.22 2k45 s PRO 30 N -3.02 3.89 -0.17 1.29 0.02 -1.26 -4.62 135.00 131.13 2k45 s PRO 30 Ca 0.34 2.24 -0.29 0.00 0.02 0.00 0.00 61.00 63.32 2k45 s PRO 30 Cb -0.12 -2.73 -0.00 0.00 0.02 0.00 0.00 34.50 31.67 2k45 s PRO 30 CO 0.28 -0.59 1.02 0.00 -0.33 0.00 0.00 177.00 177.38 2k45 s ALA 31 N -1.24 3.55 -0.42 -1.55 0.00 -1.26 -4.53 121.76 116.30 2k45 s ALA 31 Ca 0.58 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.85 2k45 s ALA 31 Cb -0.40 -3.49 0.51 0.00 0.00 0.00 0.00 23.12 19.75 2k45 s ALA 31 CO 0.51 -0.84 1.65 1.28 0.00 0.00 0.00 175.76 178.37 2k45 n LEU 32 N 5.69 5.74 -3.99 0.00 7.99 -0.93 -4.82 117.00 126.68 2k45 n LEU 32 Ca 0.10 -4.08 -0.09 0.00 -0.01 0.00 0.00 56.01 51.94 2k45 n LEU 32 Cb 0.47 -0.71 -0.10 0.00 -0.11 0.00 0.00 43.42 42.97 2k45 n LEU 32 CO 0.52 1.45 -0.32 -0.62 -1.51 0.00 0.00 177.39 176.90 2k45 s ASP 33 N -2.33 0.27 -1.59 -1.43 2.15 -0.52 -4.29 116.67 108.93 2k45 s ASP 33 Ca 0.54 -0.59 -0.11 0.00 0.43 0.00 0.00 52.55 52.82 2k45 s ASP 33 Cb 0.45 0.15 -0.06 0.00 -0.30 0.00 0.00 42.92 43.16 2k45 s ASP 33 CO 0.02 -0.40 2.81 0.80 -0.17 0.00 0.00 175.17 178.24 2k45 n MET 34 N 1.15 3.58 -0.16 4.34 0.00 -1.26 -2.22 117.12 122.55 2k45 n MET 34 Ca -0.21 -2.32 0.00 0.00 -0.00 0.00 0.00 57.70 55.17 2k45 n MET 34 Cb 0.57 -2.88 0.00 0.00 0.00 0.00 0.00 33.22 30.90 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 3.62 0.45 3.82 -5.12 0.00 -1.26 -4.99 105.19 101.70 2k45 n GLY 35 Ca 0.73 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.47 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 3.24 -0.02 0.00 -0.94 -4.99 105.19 101.98 2k45 n GLY 36 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.32 0.01 0.26 2.61 -4.23 -1.25 -4.82 115.64 104.90 2k45 s THR 37 Ca 0.61 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.16 2k45 s THR 37 Cb -0.30 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 70.99 2k45 s THR 37 CO 0.80 0.00 0.01 -0.94 -0.54 0.00 0.00 174.62 173.95 2k45 s SER 38 N -3.26 2.07 -0.76 3.99 1.04 -1.25 -1.44 113.70 114.10 2k45 s SER 38 Ca 0.40 -1.26 0.03 0.00 0.48 0.00 0.00 55.95 55.60 2k45 s SER 38 Cb 0.05 -0.03 0.24 0.00 0.10 0.00 0.00 66.02 66.38 2k45 s SER 38 CO 0.19 -0.52 0.83 0.47 0.98 0.00 0.00 173.24 175.19 2k45 n ASP 39 N -0.51 4.15 -4.45 7.02 9.92 -1.26 -0.87 116.55 130.55 2k45 n ASP 39 Ca -0.04 -3.36 -0.43 0.00 -0.53 0.00 0.00 54.79 50.43 2k45 n ASP 39 Cb 0.65 -0.83 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 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 1.29 0.54 -3.67 -0.24 -0.02 -1.18 -2.27 135.00 129.46 2k45 n PRO 40 Ca 0.27 0.20 -0.09 0.00 -2.02 0.00 0.00 63.50 61.85 2k45 n PRO 40 Cb 0.38 -1.44 -0.09 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.40 -0.80 -0.35 6.00 6.14 -0.71 -2.71 117.35 123.51 2k45 s TYR 41 Ca 0.62 1.62 -0.11 0.00 0.64 0.00 0.00 57.07 59.84 2k45 s TYR 41 Cb -0.65 0.41 0.01 0.00 0.42 0.00 0.00 41.96 42.15 2k45 s TYR 41 CO 0.59 -0.43 0.20 0.14 0.64 0.00 0.00 175.55 176.68 2k45 s VAL 42 N 1.70 4.74 -0.54 3.14 -7.23 -1.26 0.17 120.40 121.12 2k45 s VAL 42 Ca -0.09 -0.58 -0.20 0.00 -1.81 0.00 0.00 61.98 59.31 2k45 s VAL 42 Cb -0.08 -3.53 0.07 0.00 0.56 0.00 0.00 36.38 33.40 2k45 s VAL 42 CO -0.15 -0.09 0.71 -1.59 -0.31 0.00 0.00 175.10 173.67 2k45 s LYS 43 N 1.61 3.13 -0.25 4.82 -2.85 0.10 -3.33 119.74 122.97 2k45 s LYS 43 Ca 0.04 -0.91 -0.08 0.00 -1.00 0.00 0.00 55.97 54.02 2k45 s LYS 43 Cb -0.18 -4.14 -0.03 0.00 -2.06 0.00 0.00 37.83 31.42 2k45 s LYS 43 CO 0.07 -1.38 0.09 0.08 0.10 0.00 0.00 175.35 174.32 2k45 s VAL 44 N 2.92 4.50 0.30 1.79 1.01 -1.24 -1.38 120.40 128.29 2k45 s VAL 44 Ca 0.17 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.07 2k45 s VAL 44 Cb -0.19 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2k45 s VAL 44 CO 0.11 0.32 0.33 2.22 0.00 0.00 0.00 175.10 178.09 2k45 n PHE 45 N 4.93 -1.00 -4.37 5.22 -1.74 0.49 -2.61 117.46 118.38 2k45 n PHE 45 Ca -0.16 -2.25 -0.24 0.00 -0.56 0.00 0.00 57.45 54.24 2k45 n PHE 45 Cb 0.52 0.36 -0.09 0.00 1.52 0.00 0.00 39.48 41.79 2k45 n PHE 45 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2k45 s LEU 46 N 0.00 2.88 0.87 5.98 1.43 -1.26 -0.81 118.68 127.76 2k45 s LEU 46 Ca 0.30 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 2k45 s LEU 46 Cb 0.00 -1.44 0.12 0.00 0.03 0.00 0.00 46.19 44.90 2k45 s LEU 46 CO 0.21 0.04 1.17 -1.48 0.23 0.00 0.00 176.35 176.52 2k45 s LEU 47 N -3.39 2.27 0.00 1.79 0.05 -1.10 -3.84 118.68 114.46 2k45 s LEU 47 Ca 0.29 0.83 0.00 0.00 0.05 0.00 0.00 54.13 55.30 2k45 s LEU 47 Cb -0.06 -3.20 0.00 0.00 -2.05 0.00 0.00 46.19 40.87 2k45 s LEU 47 CO 0.17 -2.28 0.00 -2.65 -0.55 0.00 0.00 176.35 171.04 2k45 n PRO 48 N -3.57 0.00 0.09 1.48 -0.02 -1.26 -2.77 135.00 128.96 2k45 n PRO 48 Ca 0.08 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.52 2k45 n PRO 48 Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.06 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 -0.22 -4.86 2.55 1.82 -1.99 -3.48 116.42 110.23 2k45 h ASP 49 Ca 0.00 0.01 -0.23 0.00 -0.39 0.00 0.00 57.03 56.42 2k45 h ASP 49 Cb 0.00 0.06 0.14 0.00 0.68 0.00 0.00 39.33 40.21 2k45 h ASP 49 CO 0.00 -0.06 -0.63 1.17 -1.61 0.00 0.00 179.24 178.10 2k45 n LYS 50 N -3.22 -3.45 -0.61 0.28 0.00 -1.11 -4.89 118.16 105.16 2k45 n LYS 50 Ca -0.03 0.67 -0.08 0.00 0.00 0.00 0.00 58.31 58.87 2k45 n LYS 50 Cb 0.10 -4.99 0.13 0.00 0.00 0.00 0.00 35.03 30.28 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 -3.14 2.11 -3.45 1.64 4.76 -1.26 -4.69 118.16 114.13 2k45 n LYS 51 Ca -0.14 -1.65 -0.25 0.00 -2.87 0.00 0.00 58.31 53.39 2k45 n LYS 51 Cb 0.61 -1.72 -0.12 0.00 -1.84 0.00 0.00 35.03 31.97 2k45 n LYS 51 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2k45 s LYS 52 N -1.83 0.47 -0.59 1.97 -2.85 -1.26 -4.72 119.74 110.93 2k45 s LYS 52 Ca 0.30 -0.95 -0.24 0.00 -1.00 0.00 0.00 55.97 54.07 2k45 s LYS 52 Cb 0.25 -1.09 0.05 0.00 -2.06 0.00 0.00 37.83 34.97 2k45 s LYS 52 CO 0.07 -1.15 1.00 0.21 0.10 0.00 0.00 175.35 175.58 2k45 s LYS 53 N 1.48 3.29 0.14 1.78 2.20 -1.26 -4.12 119.74 123.25 2k45 s LYS 53 Ca 0.15 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.47 2k45 s LYS 53 Cb -0.19 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 31.99 2k45 s LYS 53 CO -0.11 -1.63 0.14 0.12 -0.36 0.00 0.00 175.35 173.51 2k45 s PHE 54 N 4.23 3.21 -0.25 4.03 5.36 -1.07 -5.01 117.98 128.47 2k45 s PHE 54 Ca 0.30 0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 56.27 2k45 s PHE 54 Cb -0.13 -1.56 0.14 0.00 -0.34 0.00 0.00 43.02 41.14 2k45 s PHE 54 CO 0.18 0.52 0.43 -2.00 -1.46 0.00 0.00 175.22 172.89 2k45 s GLU 55 N -2.96 0.40 0.57 10.12 2.12 -1.26 -3.65 118.70 124.04 2k45 s GLU 55 Ca 0.31 0.67 -0.18 0.00 0.36 0.00 0.00 54.97 56.13 2k45 s GLU 55 Cb -0.11 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.04 2k45 s GLU 55 CO 0.24 -0.62 1.14 0.99 -0.54 0.00 0.00 175.26 176.47 2k45 s THR 56 N 2.62 3.09 0.23 -1.70 2.01 -1.21 -5.01 115.64 115.67 2k45 s THR 56 Ca 0.14 0.64 -0.30 0.00 0.31 0.00 0.00 61.69 62.48 2k45 s THR 56 Cb -0.15 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.04 2k45 s THR 56 CO -0.17 -0.18 1.26 -0.75 -0.69 0.00 0.00 174.62 174.09 2k45 s LYS 57 N -3.45 4.44 -0.01 4.92 2.20 -1.26 -4.89 119.74 121.69 2k45 s LYS 57 Ca 0.72 2.01 -0.30 0.00 -0.36 0.00 0.00 55.97 58.05 2k45 s LYS 57 Cb -0.24 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2k45 s LYS 57 CO 0.31 -0.14 1.23 0.14 -0.36 0.00 0.00 175.35 176.53 2k45 s VAL 58 N -0.34 4.10 -0.82 4.02 -7.23 -1.26 -4.86 120.40 114.00 2k45 s VAL 58 Ca 0.53 1.46 -0.13 0.00 -1.81 0.00 0.00 61.98 62.03 2k45 s VAL 58 Cb -0.36 -3.94 0.22 0.00 0.56 0.00 0.00 36.38 32.86 2k45 s VAL 58 CO 0.41 0.03 0.75 -1.00 -0.31 0.00 0.00 175.10 174.98 2k45 s HIS 59 N 1.92 3.74 0.06 2.82 0.09 -1.10 -4.99 115.29 117.83 2k45 s HIS 59 Ca 0.58 -2.06 -0.31 0.00 -0.00 0.00 0.00 55.06 53.28 2k45 s HIS 59 Cb -0.27 -3.77 -0.07 0.00 -0.00 0.00 0.00 32.58 28.47 2k45 s HIS 59 CO 0.25 -0.98 1.39 -0.98 -0.00 0.00 0.00 174.74 174.42 2k45 s ARG 60 N 0.12 4.31 -0.55 1.40 1.04 -1.26 -3.10 118.95 120.91 2k45 s ARG 60 Ca 0.18 2.02 -0.02 0.00 -1.04 0.00 0.00 55.73 56.87 2k45 s ARG 60 Cb -0.11 -3.41 -0.02 0.00 -2.04 0.00 0.00 34.95 29.37 2k45 s ARG 60 CO -0.09 -0.50 0.47 1.63 -0.04 0.00 0.00 175.30 176.78 2k45 n LYS 61 N 4.64 -1.93 -3.68 3.89 4.76 -0.05 -4.95 118.16 120.85 2k45 n LYS 61 Ca 0.12 0.43 -0.09 0.00 -2.87 0.00 0.00 58.31 55.90 2k45 n LYS 61 Cb 0.43 -3.85 -0.10 0.00 -1.84 0.00 0.00 35.03 29.67 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 -3.19 -0.23 -2.27 -0.18 -4.23 -0.22 -4.80 115.64 100.52 2k45 s THR 62 Ca 0.14 0.10 0.20 0.00 -1.18 0.00 0.00 61.69 60.95 2k45 s THR 62 Cb -0.02 -0.68 0.44 0.00 1.34 0.00 0.00 72.50 73.57 2k45 s THR 62 CO 0.37 0.04 1.46 0.18 -0.54 0.00 0.00 174.62 176.13 2k45 n LEU 63 N 4.62 2.36 -3.13 4.79 7.99 -1.26 -3.80 117.00 128.57 2k45 n LEU 63 Ca -0.18 -1.04 -0.20 0.00 -0.01 0.00 0.00 56.01 54.57 2k45 n LEU 63 Cb 0.54 -0.19 -0.05 0.00 -0.11 0.00 0.00 43.42 43.60 2k45 n LEU 63 CO 0.04 0.52 -0.18 -3.20 -1.51 0.00 0.00 177.39 173.06 2k45 n ASN 64 N 0.78 -0.84 -4.94 -1.43 4.05 -1.19 0.14 115.26 111.81 2k45 n ASN 64 Ca 0.17 -2.73 -0.24 0.00 0.45 0.00 0.00 54.58 52.23 2k45 n ASN 64 Cb 0.42 0.01 0.03 0.00 1.23 0.00 0.00 39.78 41.47 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 -0.36 2.78 -0.18 1.20 0.04 -1.25 -4.65 135.00 132.57 2k45 s PRO 65 Ca 0.34 -0.36 0.01 0.00 0.04 0.00 0.00 61.00 61.02 2k45 s PRO 65 Cb 0.13 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 32.31 2k45 s PRO 65 CO -0.15 -0.65 -0.15 0.14 0.04 0.00 0.00 177.00 176.24 2k45 s VAL 66 N -2.84 1.78 -0.12 -0.36 -7.23 -1.26 -1.66 120.40 108.71 2k45 s VAL 66 Ca 0.54 -0.91 -0.26 0.00 -1.81 0.00 0.00 61.98 59.54 2k45 s VAL 66 Cb -0.10 -1.72 -0.27 0.00 0.56 0.00 0.00 36.38 34.85 2k45 s VAL 66 CO 0.41 0.36 0.73 -0.26 -0.31 0.00 0.00 175.10 176.04 2k45 h PHE 67 N 7.97 0.15 -5.87 2.82 0.04 -1.65 -3.47 116.94 116.92 2k45 h PHE 67 Ca -0.36 -0.11 -0.18 0.00 2.80 0.00 0.00 57.97 60.12 2k45 h PHE 67 Cb 1.12 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.26 2k45 h PHE 67 CO 0.49 1.15 -0.46 0.09 -0.60 0.00 0.00 178.31 178.98 2k45 n ASN 68 N -4.45 -6.74 -4.32 2.17 5.03 0.32 -4.92 115.26 102.34 2k45 n ASN 68 Ca -0.14 -0.32 -0.32 0.00 0.87 0.00 0.00 54.58 54.67 2k45 n ASN 68 Cb 0.60 -3.96 -0.15 0.00 -1.02 0.00 0.00 39.78 35.25 2k45 n ASN 68 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2k45 s GLU 69 N -3.58 3.00 0.32 3.52 0.41 -1.24 -4.94 118.70 116.20 2k45 s GLU 69 Ca 0.04 -0.78 -0.28 0.00 -0.41 0.00 0.00 54.97 53.54 2k45 s GLU 69 Cb -0.01 -2.41 -0.09 0.00 -1.78 0.00 0.00 34.13 29.84 2k45 s GLU 69 CO 0.81 0.30 1.14 -1.14 -0.49 0.00 0.00 175.26 175.87 2k45 s GLN 70 N 0.09 4.43 -0.76 1.61 -0.44 -1.26 0.75 119.66 124.08 2k45 s GLN 70 Ca -0.08 1.84 -0.26 0.00 -2.50 0.00 0.00 55.36 54.35 2k45 s GLN 70 Cb -0.15 -3.00 0.02 0.00 -1.64 0.00 0.00 33.01 28.24 2k45 s GLN 70 CO 0.05 0.01 1.42 -0.59 0.50 0.00 0.00 175.29 176.69 2k45 s PHE 71 N -1.26 2.19 0.62 1.67 -0.12 -1.17 -4.48 117.98 115.43 2k45 s PHE 71 Ca 0.49 0.01 -0.19 0.00 -0.05 0.00 0.00 56.93 57.19 2k45 s PHE 71 Cb -0.32 -4.53 -0.02 0.00 -0.63 0.00 0.00 43.02 37.52 2k45 s PHE 71 CO 0.41 -2.09 1.28 -2.37 -0.05 0.00 0.00 175.22 172.39 2k45 n THR 72 N 6.63 4.59 -3.74 -4.49 5.66 -1.22 -3.84 114.28 117.88 2k45 n THR 72 Ca 0.11 -0.50 -0.36 0.00 -3.05 0.00 0.00 64.05 60.25 2k45 n THR 72 Cb 0.50 -1.50 -0.10 0.00 -1.55 0.00 0.00 70.33 67.68 2k45 n THR 72 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2k45 s PHE 73 N -1.37 3.25 0.72 1.09 -0.71 -1.25 -2.28 117.98 117.42 2k45 s PHE 73 Ca 0.80 0.07 -0.11 0.00 -1.04 0.00 0.00 56.93 56.64 2k45 s PHE 73 Cb -0.39 -2.24 0.02 0.00 -1.21 0.00 0.00 43.02 39.20 2k45 s PHE 73 CO 0.43 -0.02 1.09 0.15 -1.34 0.00 0.00 175.22 175.52 2k45 s LYS 74 N 1.12 2.73 -0.09 1.99 -0.14 0.83 -4.03 119.74 122.14 2k45 s LYS 74 Ca 0.06 0.58 0.04 0.00 -1.36 0.00 0.00 55.97 55.29 2k45 s LYS 74 Cb -0.14 -2.00 0.00 0.00 -1.68 0.00 0.00 37.83 34.02 2k45 s LYS 74 CO 0.04 -1.16 -0.22 0.08 -0.76 0.00 0.00 175.35 173.34 2k45 s VAL 75 N -3.26 1.92 0.27 3.17 1.01 -1.24 -3.85 120.40 118.41 2k45 s VAL 75 Ca 0.59 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 2k45 s VAL 75 Cb -0.12 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 2k45 s VAL 75 CO 0.53 0.53 -0.13 -2.65 0.00 0.00 0.00 175.10 173.38 2k45 n PRO 76 N 3.54 0.00 0.02 2.72 -0.02 -0.24 -2.68 135.00 138.33 2k45 n PRO 76 Ca -0.19 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.35 2k45 n PRO 76 Cb 0.53 -0.42 0.48 0.00 -0.02 0.00 0.00 33.50 34.07 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 -0.12 0.41 -0.76 6.00 -0.00 -1.92 1.90 116.97 122.48 2k45 h TYR 77 Ca -0.17 0.01 0.03 0.00 0.00 0.00 0.00 58.73 58.60 2k45 h TYR 77 Cb 0.59 -0.14 -0.04 0.00 0.00 0.00 0.00 36.73 37.14 2k45 h TYR 77 CO 0.09 0.24 0.50 1.03 -0.00 0.00 0.00 178.16 180.03 2k45 h SER 78 N 0.43 0.81 1.34 0.10 0.87 -1.92 -2.70 113.55 112.47 2k45 h SER 78 Ca 0.16 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2k45 h SER 78 Cb 0.13 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2k45 h SER 78 CO -0.04 0.56 -0.60 -0.33 -0.53 0.00 0.00 176.83 175.89 2k45 h GLU 79 N 0.94 0.00 -0.54 2.24 3.07 0.17 -3.25 114.58 117.21 2k45 h GLU 79 Ca 0.30 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 2k45 h GLU 79 Cb 0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 2k45 h GLU 79 CO -0.09 0.00 0.20 1.25 -1.40 0.00 0.00 179.01 178.97 2k45 h LEU 80 N 0.00 0.71 -0.61 1.33 6.46 0.26 -3.26 115.31 120.20 2k45 h LEU 80 Ca 0.00 -0.09 0.12 0.00 -0.12 0.00 0.00 57.88 57.79 2k45 h LEU 80 Cb 0.97 -0.18 -0.11 0.00 -0.73 0.00 0.00 40.66 40.60 2k45 h LEU 80 CO 0.00 0.65 -0.12 1.23 -0.62 0.00 0.00 178.44 179.58 2k45 h GLY 81 N 0.91 0.48 1.12 3.75 0.00 -1.58 -1.24 103.07 106.51 2k45 h GLY 81 Ca 0.18 0.18 -0.16 0.00 0.00 0.00 0.00 47.33 47.53 2k45 h GLY 81 CO -0.02 -0.23 -0.42 -1.33 0.00 0.00 0.00 176.54 174.55 2k45 h GLY 82 N 0.02 0.99 -2.89 4.60 0.00 -1.80 -3.37 103.07 100.62 2k45 h GLY 82 Ca 0.30 -1.05 -0.49 0.00 0.00 0.00 0.00 47.33 46.08 2k45 h GLY 82 CO -0.61 0.95 0.09 0.54 0.00 0.00 0.00 176.54 177.51 2k45 s LYS 83 N -4.33 3.99 -0.08 4.80 3.01 -0.47 -4.92 119.74 121.74 2k45 s LYS 83 Ca -0.11 0.66 0.03 0.00 -1.01 0.00 0.00 55.97 55.54 2k45 s LYS 83 Cb 0.11 -2.43 -0.02 0.00 -1.01 0.00 0.00 37.83 34.48 2k45 s LYS 83 CO 0.88 0.15 -0.18 0.95 0.51 0.00 0.00 175.35 177.67 2k45 s THR 84 N -1.99 2.70 -0.25 2.17 -4.23 -1.26 -1.91 115.64 110.88 2k45 s THR 84 Ca 0.54 -0.82 -0.23 0.00 -1.18 0.00 0.00 61.69 60.00 2k45 s THR 84 Cb -0.10 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.66 2k45 s THR 84 CO 0.18 0.56 0.75 -1.48 -0.54 0.00 0.00 174.62 174.09 2k45 s LEU 85 N -0.13 4.07 -0.01 4.79 2.34 -0.82 -2.69 118.68 126.24 2k45 s LEU 85 Ca -0.03 0.91 0.07 0.00 0.06 0.00 0.00 54.13 55.15 2k45 s LEU 85 Cb -0.14 -3.06 -0.02 0.00 -0.56 0.00 0.00 46.19 42.41 2k45 s LEU 85 CO 0.04 -0.46 -0.23 0.68 -1.06 0.00 0.00 176.35 175.31 2k45 s VAL 86 N 2.71 1.84 0.01 1.48 -7.23 0.01 -1.39 120.40 117.83 2k45 s VAL 86 Ca 0.32 -1.03 0.05 0.00 -1.81 0.00 0.00 61.98 59.51 2k45 s VAL 86 Cb -0.15 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 2k45 s VAL 86 CO 0.08 0.49 -0.17 -0.32 -0.31 0.00 0.00 175.10 174.87 2k45 s MET 87 N -0.62 1.25 -0.16 4.82 0.00 -0.21 -0.38 119.30 123.99 2k45 s MET 87 Ca 0.09 -0.69 -0.02 0.00 0.00 0.00 0.00 55.69 55.08 2k45 s MET 87 Cb -0.09 -1.25 0.05 0.00 0.00 0.00 0.00 34.83 33.54 2k45 s MET 87 CO -0.01 0.33 -0.01 0.00 0.00 0.00 0.00 175.02 175.34 2k45 s ALA 88 N -0.56 1.17 -0.30 4.11 0.00 -0.48 -0.55 121.76 125.15 2k45 s ALA 88 Ca 0.05 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 2k45 s ALA 88 Cb -0.07 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2k45 s ALA 88 CO 0.00 -0.91 1.29 0.08 0.00 0.00 0.00 175.76 176.22 2k45 s VAL 89 N 1.77 4.16 -0.14 0.00 1.01 0.15 0.02 120.40 127.36 2k45 s VAL 89 Ca 0.00 1.30 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 2k45 s VAL 89 Cb -0.16 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2k45 s VAL 89 CO -0.07 -0.48 -0.09 -0.47 0.00 0.00 0.00 175.10 174.00 2k45 s TYR 90 N 4.34 2.91 -0.26 5.22 5.04 0.46 -2.43 117.35 132.63 2k45 s TYR 90 Ca 0.56 -0.50 -0.14 0.00 -2.44 0.00 0.00 57.07 54.55 2k45 s TYR 90 Cb -0.16 -1.90 -0.04 0.00 0.35 0.00 0.00 41.96 40.20 2k45 s TYR 90 CO 0.23 -0.14 0.32 0.34 -1.34 0.00 0.00 175.55 174.95 2k45 s ASP 91 N 0.39 6.22 -0.68 4.32 2.15 -1.21 -1.75 116.67 126.12 2k45 s ASP 91 Ca -0.07 0.25 -0.25 0.00 0.43 0.00 0.00 52.55 52.91 2k45 s ASP 91 Cb -0.15 -2.19 0.05 0.00 -0.30 0.00 0.00 42.92 40.33 2k45 s ASP 91 CO 0.04 -0.11 1.13 0.12 -0.17 0.00 0.00 175.17 176.18 2k45 s PHE 92 N 1.77 2.49 -2.13 -5.34 5.36 -0.96 -4.14 117.98 115.03 2k45 s PHE 92 Ca 0.13 -0.19 0.16 0.00 -0.96 0.00 0.00 56.93 56.07 2k45 s PHE 92 Cb -0.15 -4.45 0.51 0.00 -0.34 0.00 0.00 43.02 38.58 2k45 s PHE 92 CO 0.09 -1.82 1.39 -0.40 -1.46 0.00 0.00 175.22 173.02 2k45 n ASP 93 N 8.54 1.94 0.00 6.13 5.68 -1.26 -4.09 116.55 133.48 2k45 n ASP 93 Ca 0.01 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 2k45 n ASP 93 Cb 0.48 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.53 0.00 0.14 0.11 5.12 -1.26 -4.26 116.66 117.04 2k45 n ARG 94 Ca 0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 2k45 n ARG 94 Cb 0.33 -4.28 0.00 0.00 -1.16 0.00 0.00 32.46 27.36 2k45 n ARG 94 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2k45 n PHE 95 N -2.00 -3.03 -1.71 -1.55 7.35 -1.26 -5.15 117.46 110.12 2k45 n PHE 95 Ca 0.00 0.77 -0.02 0.00 -0.76 0.00 0.00 57.45 57.44 2k45 n PHE 95 Cb 0.00 1.86 0.01 0.00 0.35 0.00 0.00 39.48 41.71 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2k45 n SER 96 N -3.20 0.06 -4.67 -2.13 3.41 -1.26 -4.99 113.62 100.84 2k45 n SER 96 Ca 0.00 -1.06 -0.43 0.00 -0.26 0.00 0.00 58.87 57.12 2k45 n SER 96 Cb 0.00 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 2k45 n SER 96 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k45 s LYS 97 N -2.88 4.26 -0.09 4.33 1.02 -1.26 -4.80 119.74 120.31 2k45 s LYS 97 Ca 0.05 1.74 -0.29 0.00 0.02 0.00 0.00 55.97 57.49 2k45 s LYS 97 Cb -0.00 -3.73 -0.06 0.00 -0.52 0.00 0.00 37.83 33.53 2k45 s LYS 97 CO 0.04 -0.65 1.81 -1.01 -0.92 0.00 0.00 175.35 174.61 2k45 s HIS 98 N 3.18 1.70 -0.08 3.18 3.76 -1.26 -4.96 115.29 120.80 2k45 s HIS 98 Ca 0.58 0.14 -0.22 0.00 -0.15 0.00 0.00 55.06 55.41 2k45 s HIS 98 Cb -0.24 -4.03 -0.04 0.00 1.11 0.00 0.00 32.58 29.38 2k45 s HIS 98 CO 0.19 -4.15 0.63 0.34 -0.85 0.00 0.00 174.74 170.89 2k45 s ASP 99 N 4.57 6.88 0.02 1.40 2.15 -1.26 -4.88 116.67 125.55 2k45 s ASP 99 Ca 0.81 1.06 -0.30 0.00 0.43 0.00 0.00 52.55 54.55 2k45 s ASP 99 Cb -0.34 -2.37 -0.07 0.00 -0.30 0.00 0.00 42.92 39.84 2k45 s ASP 99 CO 0.34 -0.08 1.64 -0.63 -0.17 0.00 0.00 175.17 176.27 2k45 s ILE 100 N 0.75 3.29 -0.07 4.11 1.01 -1.26 -3.29 121.20 125.73 2k45 s ILE 100 Ca 0.34 0.60 -0.24 0.00 0.00 0.00 0.00 60.65 61.34 2k45 s ILE 100 Cb -0.17 -3.38 -0.29 0.00 0.01 0.00 0.00 42.46 38.63 2k45 s ILE 100 CO 0.15 -0.02 0.87 0.16 0.00 0.00 0.00 174.94 176.10 2k45 h ILE 101 N 5.11 1.60 -0.73 2.92 3.07 -1.80 -3.45 117.51 124.24 2k45 h ILE 101 Ca -0.41 -2.44 0.00 0.00 1.55 0.00 0.00 64.86 63.56 2k45 h ILE 101 Cb 1.19 3.22 0.00 0.00 -0.27 0.00 0.00 36.82 40.97 2k45 h ILE 101 CO 0.93 0.67 0.00 0.61 -1.05 0.00 0.00 178.15 179.32 2k45 n GLY 102 N 1.60 1.43 3.66 0.16 0.00 -1.18 -3.37 105.19 107.49 2k45 n GLY 102 Ca -0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 0.01 0.73 -0.04 1.61 -1.05 0.32 -0.68 118.70 119.61 2k45 s GLU 103 Ca 0.00 -0.38 -0.04 0.00 -0.15 0.00 0.00 54.97 54.40 2k45 s GLU 103 Cb 0.00 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 33.96 2k45 s GLU 103 CO 0.00 -0.33 0.11 -0.59 0.95 0.00 0.00 175.26 175.40 2k45 s PHE 104 N -2.82 -0.11 -0.07 4.83 -0.12 0.29 -1.59 117.98 118.39 2k45 s PHE 104 Ca 0.12 0.27 0.02 0.00 -0.05 0.00 0.00 56.93 57.30 2k45 s PHE 104 Cb 0.01 0.04 0.01 0.00 -0.63 0.00 0.00 43.02 42.45 2k45 s PHE 104 CO -0.02 -0.07 -0.13 0.15 -0.05 0.00 0.00 175.22 175.09 2k45 s LYS 105 N -0.02 1.85 -0.23 1.99 1.02 -1.26 -1.05 119.74 122.03 2k45 s LYS 105 Ca -0.01 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.49 2k45 s LYS 105 Cb -0.01 -1.51 0.10 0.00 -0.52 0.00 0.00 37.83 35.88 2k45 s LYS 105 CO 0.00 0.04 0.20 0.08 -0.92 0.00 0.00 175.35 174.75 2k45 s VAL 106 N 0.66 -0.26 0.04 3.17 1.01 -0.48 -5.03 120.40 119.50 2k45 s VAL 106 Ca -0.15 -0.32 -0.34 0.00 0.00 0.00 0.00 61.98 61.18 2k45 s VAL 106 Cb -0.16 -0.78 -0.13 0.00 0.00 0.00 0.00 36.38 35.31 2k45 s VAL 106 CO 0.04 -0.37 1.70 -0.81 0.00 0.00 0.00 175.10 175.66 2k45 n PRO 107 N 5.30 2.08 0.27 2.72 -0.04 -1.26 -1.94 135.00 142.13 2k45 n PRO 107 Ca -0.05 0.76 0.10 0.00 -0.04 0.00 0.00 63.50 64.26 2k45 n PRO 107 Cb 0.47 -2.55 0.71 0.00 -0.04 0.00 0.00 33.50 32.10 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 7.28 0.00 0.00 0.54 2.86 -1.60 -0.76 114.93 123.25 2k45 h MET 108 Ca -0.47 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.14 2k45 h MET 108 Cb 1.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 2k45 h MET 108 CO 0.91 0.02 -0.16 -2.95 1.06 0.00 0.00 176.91 175.79 2k45 h ASN 109 N 0.00 0.00 1.06 1.22 7.08 -1.66 -1.49 115.58 121.79 2k45 h ASN 109 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k45 h ASN 109 Cb 0.04 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.28 2k45 h ASN 109 CO 0.00 0.16 -0.93 0.71 -2.08 0.00 0.00 177.43 175.28 2k45 h THR 110 N 0.00 0.00 -3.54 6.14 1.35 -1.49 -3.45 112.91 111.92 2k45 h THR 110 Ca -0.00 -0.99 -0.62 0.00 -0.55 0.00 0.00 66.41 64.24 2k45 h THR 110 Cb 0.37 1.53 -0.12 0.00 -1.73 0.00 0.00 68.15 68.19 2k45 h THR 110 CO 0.02 0.00 0.23 -0.69 -0.25 0.00 0.00 175.52 174.83 2k45 s VAL 111 N -3.35 4.85 -0.41 6.82 1.01 -0.56 -5.02 120.40 123.73 2k45 s VAL 111 Ca 0.00 0.76 -0.26 0.00 0.00 0.00 0.00 61.98 62.48 2k45 s VAL 111 Cb 0.09 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2k45 s VAL 111 CO 0.78 -0.31 0.96 -0.62 0.00 0.00 0.00 175.10 175.91 2k45 s ASP 112 N 1.76 6.62 -1.07 3.32 2.15 -1.26 -4.93 116.67 123.26 2k45 s ASP 112 Ca 0.27 0.43 -0.04 0.00 0.43 0.00 0.00 52.55 53.64 2k45 s ASP 112 Cb -0.14 -2.47 0.31 0.00 -0.30 0.00 0.00 42.92 40.31 2k45 s ASP 112 CO 0.15 -0.97 1.45 0.49 -0.17 0.00 0.00 175.17 176.12 2k45 n PHE 113 N 7.04 2.42 0.01 -5.34 3.01 -1.26 -4.79 117.46 118.55 2k45 n PHE 113 Ca 0.08 -2.67 -0.11 0.00 1.01 0.00 0.00 57.45 55.75 2k45 n PHE 113 Cb 0.48 -1.26 -0.09 0.00 -0.01 0.00 0.00 39.48 38.60 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 5.47 -0.13 0.00 1.37 0.00 -1.99 -3.46 103.07 104.32 2k45 h GLY 114 Ca 0.20 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2k45 h GLY 114 CO 1.31 -0.05 0.00 1.42 0.00 0.00 0.00 176.54 179.22 2k45 n HIS 115 N -4.85 0.00 -4.61 5.60 8.25 -1.26 -4.99 115.22 113.35 2k45 n HIS 115 Ca -0.08 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.05 2k45 n HIS 115 Cb 0.29 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.26 2k45 n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k45 s VAL 116 N 1.67 3.06 -0.59 1.59 -7.23 -1.26 -3.80 120.40 113.83 2k45 s VAL 116 Ca 0.00 -0.65 -0.20 0.00 -1.81 0.00 0.00 61.98 59.32 2k45 s VAL 116 Cb 0.00 -2.30 0.09 0.00 0.56 0.00 0.00 36.38 34.72 2k45 s VAL 116 CO 0.00 0.51 0.76 -0.89 -0.31 0.00 0.00 175.10 175.17 2k45 s THR 117 N 0.56 4.69 -0.29 5.32 2.01 0.34 -4.93 115.64 123.35 2k45 s THR 117 Ca -0.08 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 2k45 s THR 117 Cb -0.16 -4.51 0.05 0.00 0.01 0.00 0.00 72.50 67.89 2k45 s THR 117 CO 0.03 -1.15 -0.02 -1.61 -0.69 0.00 0.00 174.62 171.18 2k45 s GLU 118 N 3.06 2.49 0.16 4.92 2.02 -1.26 -0.10 118.70 129.99 2k45 s GLU 118 Ca 0.15 -1.22 -0.18 0.00 0.02 0.00 0.00 54.97 53.74 2k45 s GLU 118 Cb -0.21 -3.12 0.04 0.00 0.10 0.00 0.00 34.13 30.94 2k45 s GLU 118 CO 0.09 -0.57 0.50 -1.83 0.02 0.00 0.00 175.26 173.46 2k45 s GLU 119 N 1.25 1.24 -0.49 1.61 -1.05 -1.19 -5.03 118.70 115.04 2k45 s GLU 119 Ca -0.05 -0.71 -0.23 0.00 -0.15 0.00 0.00 54.97 53.84 2k45 s GLU 119 Cb -0.19 0.52 0.04 0.00 -0.44 0.00 0.00 34.13 34.05 2k45 s GLU 119 CO -0.02 -0.52 0.83 -1.58 0.95 0.00 0.00 175.26 174.92 2k45 s TRP 120 N -3.82 2.92 -0.09 4.83 0.23 -1.26 -2.68 118.94 119.08 2k45 s TRP 120 Ca 0.05 0.02 -0.00 0.00 -2.03 0.00 0.00 56.10 54.13 2k45 s TRP 120 Cb 0.00 -3.80 -0.03 0.00 0.03 0.00 0.00 33.47 29.67 2k45 s TRP 120 CO -0.09 -1.13 -0.06 0.50 0.96 0.00 0.00 176.95 177.13 2k45 s ARG 121 N 3.46 3.02 -0.04 4.98 6.06 -0.09 -4.89 118.95 131.46 2k45 s ARG 121 Ca 0.28 -0.55 -0.16 0.00 -2.50 0.00 0.00 55.73 52.80 2k45 s ARG 121 Cb -0.13 -2.68 -0.05 0.00 0.06 0.00 0.00 34.95 32.15 2k45 s ARG 121 CO 0.20 0.54 0.45 0.16 -2.50 0.00 0.00 175.30 174.15 2k45 s ASP 122 N -0.46 6.79 -0.25 -2.12 -4.77 -1.26 0.21 116.67 114.81 2k45 s ASP 122 Ca 0.07 0.94 -0.28 0.00 -3.30 0.00 0.00 52.55 49.97 2k45 s ASP 122 Cb -0.12 -2.28 0.01 0.00 -1.09 0.00 0.00 42.92 39.44 2k45 s ASP 122 CO 0.02 0.20 1.01 -0.76 0.70 0.00 0.00 175.17 176.34 2k45 s LEU 123 N -0.45 4.07 0.03 2.11 2.01 -0.65 -4.56 118.68 121.25 2k45 s LEU 123 Ca 0.25 1.27 0.01 0.00 0.01 0.00 0.00 54.13 55.67 2k45 s LEU 123 Cb -0.16 -3.48 -0.04 0.00 0.01 0.00 0.00 46.19 42.52 2k45 s LEU 123 CO 0.13 -0.68 0.06 0.00 1.01 0.00 0.00 176.35 176.87 2k45 s GLN 124 N 3.20 2.92 -0.26 1.70 -2.07 -0.62 -1.68 119.66 122.85 2k45 s GLN 124 Ca 0.43 -0.60 -0.29 0.00 -1.82 0.00 0.00 55.36 53.08 2k45 s GLN 124 Cb -0.15 -2.76 -0.02 0.00 -1.09 0.00 0.00 33.01 29.00 2k45 s GLN 124 CO 0.08 0.61 1.59 -1.12 -1.32 0.00 0.00 175.29 175.12 2k45 s SER 125 N -1.95 6.34 -0.03 12.60 0.01 -1.26 -0.52 113.70 128.88 2k45 s SER 125 Ca 0.24 1.45 -0.09 0.00 1.31 0.00 0.00 55.95 58.87 2k45 s SER 125 Cb -0.12 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 2k45 s SER 125 CO 0.16 -1.32 0.27 0.00 0.41 0.00 0.00 173.24 172.76 2k45 s ALA 126 N 5.37 3.81 -1.11 1.44 0.00 -1.22 -4.75 121.76 125.31 2k45 s ALA 126 Ca 0.70 -0.49 -0.09 0.00 0.00 0.00 0.00 51.96 52.08 2k45 s ALA 126 Cb -0.23 -2.13 0.28 0.00 0.00 0.00 0.00 23.12 21.05 2k45 s ALA 126 CO 0.29 0.59 1.13 -1.91 0.00 0.00 0.00 175.76 175.87 2k45 n GLU 127 N 1.59 3.59 0.00 0.00 2.13 -1.26 -4.59 120.64 122.10 2k45 n GLU 127 Ca -0.15 -4.47 0.05 0.00 0.66 0.00 0.00 57.16 53.26 2k45 n GLU 127 Cb 0.53 -2.54 0.04 0.00 0.27 0.00 0.00 31.44 29.74 2k45 n GLU 127 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89