#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 0.26 0.14 3.49 0.00 -1.26 -4.72 119.74 117.65 2k45 s LYS 2 Ca 0.00 -0.22 0.25 0.00 0.00 0.00 0.00 55.97 55.99 2k45 s LYS 2 Cb 0.00 -0.00 0.47 0.00 0.00 0.00 0.00 37.83 38.30 2k45 s LYS 2 CO 0.00 -0.33 1.44 -0.11 0.00 0.00 0.00 175.35 176.35 2k45 n LEU 3 N 2.89 0.72 0.00 2.77 7.94 -0.56 -4.59 117.00 126.17 2k45 n LEU 3 Ca 0.10 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 2k45 n LEU 3 Cb 0.64 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.37 2k45 n LEU 3 CO -0.10 -0.08 0.00 0.61 -1.11 0.00 0.00 177.39 176.71 2k45 n GLY 4 N 1.34 -1.34 3.16 -3.96 0.00 -1.12 -2.76 105.19 100.51 2k45 n GLY 4 Ca 0.04 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 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 0.83 -0.24 1.61 1.02 -1.15 -0.54 119.74 121.27 2k45 s LYS 5 Ca 0.00 -1.34 -0.00 0.00 0.02 0.00 0.00 55.97 54.64 2k45 s LYS 5 Cb 0.00 -0.11 0.07 0.00 -0.52 0.00 0.00 37.83 37.27 2k45 s LYS 5 CO 0.00 -0.06 0.01 -1.17 -0.92 0.00 0.00 175.35 173.20 2k45 s LEU 6 N -3.04 2.22 -0.20 3.17 0.20 0.20 -0.21 118.68 121.03 2k45 s LEU 6 Ca 0.13 -1.21 -0.21 0.00 0.69 0.00 0.00 54.13 53.53 2k45 s LEU 6 Cb 0.06 -0.97 -0.02 0.00 -0.43 0.00 0.00 46.19 44.82 2k45 s LEU 6 CO -0.04 -0.30 0.66 0.00 -0.29 0.00 0.00 176.35 176.38 2k45 s GLN 7 N 1.54 4.21 0.31 1.98 0.00 -0.90 -1.90 119.66 124.92 2k45 s GLN 7 Ca -0.01 0.67 0.03 0.00 -0.00 0.00 0.00 55.36 56.05 2k45 s GLN 7 Cb -0.18 -3.59 -0.05 0.00 0.00 0.00 0.00 33.01 29.19 2k45 s GLN 7 CO -0.10 -0.27 0.09 1.52 0.00 0.00 0.00 175.29 176.52 2k45 s TYR 8 N 2.02 1.77 -0.25 9.60 -0.85 -0.80 0.14 117.35 128.98 2k45 s TYR 8 Ca 0.30 -1.12 -0.02 0.00 -0.52 0.00 0.00 57.07 55.71 2k45 s TYR 8 Cb -0.16 -1.10 0.12 0.00 0.38 0.00 0.00 41.96 41.20 2k45 s TYR 8 CO 0.10 -0.20 0.29 -1.54 -1.52 0.00 0.00 175.55 172.69 2k45 s SER 9 N -3.44 1.25 -0.08 -0.18 1.04 -0.04 -1.94 113.70 110.31 2k45 s SER 9 Ca 0.35 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.45 2k45 s SER 9 Cb 0.07 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 2k45 s SER 9 CO 0.15 -0.35 -0.18 -0.76 0.98 0.00 0.00 173.24 173.08 2k45 s LEU 10 N 2.39 2.47 0.40 2.42 1.43 0.14 -2.67 118.68 125.27 2k45 s LEU 10 Ca 0.09 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2k45 s LEU 10 Cb -0.15 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2k45 s LEU 10 CO -0.22 0.25 0.15 1.51 0.23 0.00 0.00 176.35 178.26 2k45 s ASP 11 N -0.16 2.70 -0.12 2.29 1.47 0.45 0.16 116.67 123.46 2k45 s ASP 11 Ca -0.02 -1.69 0.01 0.00 1.18 0.00 0.00 52.55 52.03 2k45 s ASP 11 Cb -0.14 0.53 0.02 0.00 -0.34 0.00 0.00 42.92 42.99 2k45 s ASP 11 CO 0.04 -0.96 -0.14 -0.72 0.68 0.00 0.00 175.17 174.06 2k45 s TYR 12 N -3.23 1.99 -0.30 2.11 1.13 -1.26 0.22 117.35 118.01 2k45 s TYR 12 Ca 0.25 -0.99 -0.21 0.00 -1.41 0.00 0.00 57.07 54.71 2k45 s TYR 12 Cb 0.02 -1.45 -0.01 0.00 -1.10 0.00 0.00 41.96 39.43 2k45 s TYR 12 CO 0.16 -0.53 0.69 0.34 -2.51 0.00 0.00 175.55 173.70 2k45 s ASP 13 N 1.16 6.57 0.01 -0.18 -1.08 -0.37 -4.97 116.67 117.80 2k45 s ASP 13 Ca -0.03 0.54 0.18 0.00 -0.52 0.00 0.00 52.55 52.72 2k45 s ASP 13 Cb -0.14 -2.36 -0.18 0.00 -1.46 0.00 0.00 42.92 38.78 2k45 s ASP 13 CO -0.04 -0.52 0.67 2.22 0.52 0.00 0.00 175.17 178.02 2k45 n PHE 14 N 5.98 0.71 0.33 -5.34 1.16 -1.26 -1.26 117.46 117.78 2k45 n PHE 14 Ca 0.01 0.24 0.07 0.00 -1.87 0.00 0.00 57.45 55.89 2k45 n PHE 14 Cb 0.49 -1.00 0.22 0.00 -1.61 0.00 0.00 39.48 37.58 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 -2.78 2.44 -0.03 3.97 0.00 -1.26 -0.91 117.38 118.80 2k45 n GLN 15 Ca -0.12 -1.76 0.06 0.00 0.00 0.00 0.00 57.00 55.17 2k45 n GLN 15 Cb 0.85 -1.52 0.07 0.00 0.00 0.00 0.00 30.24 29.63 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 0.75 2.15 -3.55 2.61 0.23 -1.25 -5.02 115.26 111.18 2k45 n ASN 16 Ca 0.16 -1.58 -0.22 0.00 -0.53 0.00 0.00 54.58 52.41 2k45 n ASN 16 Cb 0.51 -0.04 0.05 0.00 -2.08 0.00 0.00 39.78 38.22 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 0.65 -4.14 -3.95 0.53 3.02 -0.09 -4.93 115.26 106.34 2k45 n ASN 17 Ca 0.08 -0.84 -0.17 0.00 -0.03 0.00 0.00 54.58 53.62 2k45 n ASN 17 Cb 0.32 -4.25 -0.15 0.00 -0.61 0.00 0.00 39.78 35.09 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 -5.47 0.56 0.47 3.52 1.03 -0.39 -2.56 119.66 116.83 2k45 s GLN 18 Ca 0.29 -0.19 -0.10 0.00 0.04 0.00 0.00 55.36 55.39 2k45 s GLN 18 Cb -0.07 -0.56 -0.06 0.00 0.03 0.00 0.00 33.01 32.35 2k45 s GLN 18 CO 0.80 0.08 0.85 -0.51 -2.54 0.00 0.00 175.29 173.98 2k45 s LEU 19 N 0.10 3.66 -0.11 2.60 1.43 0.15 -1.24 118.68 125.28 2k45 s LEU 19 Ca -0.01 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.31 2k45 s LEU 19 Cb -0.05 -4.14 0.02 0.00 0.03 0.00 0.00 46.19 42.05 2k45 s LEU 19 CO -0.00 -0.54 -0.13 -0.22 0.23 0.00 0.00 176.35 175.69 2k45 s LEU 20 N -4.28 1.59 -0.61 1.79 1.98 0.61 -0.41 118.68 119.35 2k45 s LEU 20 Ca 0.52 -0.39 0.04 0.00 -2.89 0.00 0.00 54.13 51.41 2k45 s LEU 20 Cb -0.10 -1.01 0.16 0.00 0.66 0.00 0.00 46.19 45.89 2k45 s LEU 20 CO 0.38 -0.02 0.41 -0.69 -1.89 0.00 0.00 176.35 174.54 2k45 s VAL 21 N 1.16 2.33 -0.81 1.68 1.01 -0.33 -0.41 120.40 125.03 2k45 s VAL 21 Ca -0.04 -3.73 -0.17 0.00 0.00 0.00 0.00 61.98 58.05 2k45 s VAL 21 Cb -0.14 -2.55 0.16 0.00 0.00 0.00 0.00 36.38 33.84 2k45 s VAL 21 CO -0.04 -1.00 0.88 -0.83 0.00 0.00 0.00 175.10 174.11 2k45 s GLY 22 N -0.88 2.20 0.00 4.51 0.00 -1.09 0.25 107.32 112.31 2k45 s GLY 22 Ca 0.24 -2.87 0.00 0.00 0.00 0.00 0.00 44.72 42.09 2k45 s GLY 22 CO -0.13 1.60 0.00 0.29 0.00 0.00 0.00 173.10 174.86 2k45 n ILE 23 N 4.88 0.00 0.00 0.90 -0.00 -1.24 -0.86 119.36 123.05 2k45 n ILE 23 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.87 2k45 n ILE 23 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.11 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2k45 n ILE 24 N 0.00 0.08 -3.52 7.28 5.41 0.37 -4.47 119.36 124.51 2k45 n ILE 24 Ca 0.00 0.03 -0.13 0.00 1.00 0.00 0.00 62.75 63.64 2k45 n ILE 24 Cb 0.00 -0.98 -0.04 0.00 -0.71 0.00 0.00 39.64 37.91 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 -1.07 1.13 -0.02 0.38 1.03 -1.24 0.86 119.66 120.74 2k45 s GLN 25 Ca 0.00 -0.32 -0.02 0.00 0.04 0.00 0.00 55.36 55.06 2k45 s GLN 25 Cb 0.00 0.52 -0.04 0.00 0.03 0.00 0.00 33.01 33.52 2k45 s GLN 25 CO 0.00 -0.44 0.12 0.00 -2.54 0.00 0.00 175.29 172.43 2k45 s ALA 26 N -2.95 3.74 -0.07 2.60 0.00 -0.67 -2.11 121.76 122.29 2k45 s ALA 26 Ca -0.03 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2k45 s ALA 26 Cb -0.00 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.41 2k45 s ALA 26 CO -0.06 0.70 -0.10 0.00 0.00 0.00 0.00 175.76 176.30 2k45 s ALA 27 N -1.22 1.17 -1.10 0.00 0.00 0.70 -2.40 121.76 118.91 2k45 s ALA 27 Ca 0.24 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 2k45 s ALA 27 Cb -0.12 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2k45 s ALA 27 CO 0.15 0.02 0.93 0.39 0.00 0.00 0.00 175.76 177.24 2k45 n GLU 28 N 4.01 -6.16 -3.09 0.00 1.02 0.76 -2.94 120.64 114.24 2k45 n GLU 28 Ca -0.22 0.76 -0.30 0.00 -0.02 0.00 0.00 57.16 57.38 2k45 n GLU 28 Cb 0.51 -5.53 -0.04 0.00 -0.02 0.00 0.00 31.44 26.36 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 -6.04 3.96 0.44 -4.62 1.43 0.08 -4.07 118.68 109.85 2k45 s LEU 29 Ca 0.08 0.97 -0.24 0.00 -1.03 0.00 0.00 54.13 53.91 2k45 s LEU 29 Cb -0.04 -3.82 -0.10 0.00 0.03 0.00 0.00 46.19 42.27 2k45 s LEU 29 CO 0.66 -0.29 1.11 -2.65 0.23 0.00 0.00 176.35 175.41 2k45 n PRO 30 N -1.01 1.52 -2.83 1.29 -0.02 -1.26 -4.73 135.00 127.96 2k45 n PRO 30 Ca 0.01 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 2k45 n PRO 30 Cb 0.54 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.27 3.35 -0.26 3.55 0.00 -1.26 -4.57 121.76 121.31 2k45 s ALA 31 Ca 0.64 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.96 2k45 s ALA 31 Cb -0.52 -3.24 0.46 0.00 0.00 0.00 0.00 23.12 19.81 2k45 s ALA 31 CO 0.56 -0.40 1.32 1.28 0.00 0.00 0.00 175.76 178.52 2k45 n LEU 32 N 4.49 3.59 -3.97 0.00 7.99 -0.55 -4.84 117.00 123.71 2k45 n LEU 32 Ca 0.05 -3.98 -0.09 0.00 -0.01 0.00 0.00 56.01 51.98 2k45 n LEU 32 Cb 0.50 -0.56 -0.09 0.00 -0.11 0.00 0.00 43.42 43.16 2k45 n LEU 32 CO 0.50 1.45 -0.25 -0.62 -1.51 0.00 0.00 177.39 176.95 2k45 s ASP 33 N -3.00 0.26 -1.48 -1.43 2.15 -0.01 -4.53 116.67 108.62 2k45 s ASP 33 Ca 0.42 -0.66 -0.13 0.00 0.43 0.00 0.00 52.55 52.62 2k45 s ASP 33 Cb 0.39 0.22 -0.02 0.00 -0.30 0.00 0.00 42.92 43.22 2k45 s ASP 33 CO -0.03 -0.54 2.48 0.80 -0.17 0.00 0.00 175.17 177.71 2k45 n MET 34 N 0.59 3.09 -0.03 4.34 0.00 -1.26 -2.24 117.12 121.60 2k45 n MET 34 Ca -0.18 -2.40 0.00 0.00 -0.00 0.00 0.00 57.70 55.12 2k45 n MET 34 Cb 0.59 -3.08 0.00 0.00 0.00 0.00 0.00 33.22 30.73 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 3.92 0.10 3.80 -5.12 0.00 -1.26 -4.94 105.19 101.68 2k45 n GLY 35 Ca 0.61 0.00 -0.28 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 -0.50 3.32 -0.02 0.00 -0.95 -4.99 105.19 102.06 2k45 n GLY 36 Ca 0.00 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.33 0.07 0.24 2.61 -4.23 -1.24 -4.81 115.64 104.95 2k45 s THR 37 Ca 0.59 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 2k45 s THR 37 Cb -0.28 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 2k45 s THR 37 CO 0.80 0.00 -0.08 -0.55 -0.54 0.00 0.00 174.62 174.25 2k45 s SER 38 N -3.41 2.50 -0.87 3.99 0.15 -1.24 -0.83 113.70 113.99 2k45 s SER 38 Ca 0.38 -1.13 0.01 0.00 0.70 0.00 0.00 55.95 55.91 2k45 s SER 38 Cb 0.02 -0.12 0.27 0.00 -1.71 0.00 0.00 66.02 64.49 2k45 s SER 38 CO 0.26 -0.31 1.09 0.47 1.20 0.00 0.00 173.24 175.95 2k45 n ASP 39 N -0.47 5.03 -4.60 5.45 8.00 -1.26 -1.19 116.55 127.51 2k45 n ASP 39 Ca -0.06 -3.39 -0.40 0.00 0.71 0.00 0.00 54.79 51.64 2k45 n ASP 39 Cb 0.62 -0.99 0.02 0.00 -0.02 0.00 0.00 41.12 40.75 2k45 n ASP 39 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2k45 n PRO 40 N 1.24 1.24 -3.63 -0.24 -0.04 -1.18 -2.94 135.00 129.44 2k45 n PRO 40 Ca 0.27 0.45 -0.04 0.00 -0.04 0.00 0.00 63.50 64.14 2k45 n PRO 40 Cb 0.37 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 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 -1.34 -0.84 -0.38 0.54 -0.85 -0.91 -1.33 117.35 112.23 2k45 s TYR 41 Ca 0.66 1.65 -0.18 0.00 -0.52 0.00 0.00 57.07 58.68 2k45 s TYR 41 Cb -0.52 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.33 2k45 s TYR 41 CO 0.55 -0.42 0.48 0.14 -1.52 0.00 0.00 175.55 174.79 2k45 s VAL 42 N 1.64 5.04 -0.35 -3.49 -7.23 -1.26 0.18 120.40 114.93 2k45 s VAL 42 Ca -0.09 0.05 -0.25 0.00 -1.81 0.00 0.00 61.98 59.88 2k45 s VAL 42 Cb -0.05 -4.00 0.01 0.00 0.56 0.00 0.00 36.38 32.91 2k45 s VAL 42 CO -0.17 -0.31 0.89 -1.59 -0.31 0.00 0.00 175.10 173.60 2k45 s LYS 43 N 2.32 3.88 -0.21 4.82 -2.85 0.28 -3.48 119.74 124.49 2k45 s LYS 43 Ca 0.16 0.59 -0.08 0.00 -1.00 0.00 0.00 55.97 55.65 2k45 s LYS 43 Cb -0.16 -3.78 -0.04 0.00 -2.06 0.00 0.00 37.83 31.79 2k45 s LYS 43 CO 0.14 -0.86 0.08 0.14 0.10 0.00 0.00 175.35 174.95 2k45 s VAL 44 N 3.31 4.76 0.26 1.79 -7.23 -1.18 -0.29 120.40 121.82 2k45 s VAL 44 Ca 0.36 -0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.51 2k45 s VAL 44 Cb -0.13 -3.18 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 2k45 s VAL 44 CO 0.17 0.41 0.24 -0.36 -0.31 0.00 0.00 175.10 175.24 2k45 s PHE 45 N 0.83 1.31 0.23 2.82 0.08 0.14 -3.32 117.98 120.09 2k45 s PHE 45 Ca 0.04 -1.43 0.12 0.00 0.12 0.00 0.00 56.93 55.78 2k45 s PHE 45 Cb -0.13 -0.52 -0.05 0.00 -0.57 0.00 0.00 43.02 41.74 2k45 s PHE 45 CO 0.02 -0.79 -0.21 -0.51 -0.10 0.00 0.00 175.22 173.63 2k45 s LEU 46 N -3.23 2.54 0.25 -0.37 1.43 -1.26 -1.33 118.68 116.70 2k45 s LEU 46 Ca 0.38 -0.93 -0.26 0.00 -1.03 0.00 0.00 54.13 52.29 2k45 s LEU 46 Cb 0.04 -1.16 -0.09 0.00 0.03 0.00 0.00 46.19 45.01 2k45 s LEU 46 CO 0.18 0.08 0.88 -0.22 0.23 0.00 0.00 176.35 177.50 2k45 s LEU 47 N -3.08 4.48 0.00 1.79 2.96 1.00 -3.99 118.68 121.83 2k45 s LEU 47 Ca 0.25 1.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.93 2k45 s LEU 47 Cb -0.07 -3.70 0.00 0.00 0.50 0.00 0.00 46.19 42.93 2k45 s LEU 47 CO 0.13 0.07 0.00 -2.65 -1.32 0.00 0.00 176.35 172.57 2k45 n PRO 48 N 1.04 0.00 -0.01 0.98 -0.02 -1.26 -4.13 135.00 131.61 2k45 n PRO 48 Ca -0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2k45 n PRO 48 Cb 0.49 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.97 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 -5.68 2.55 3.58 -1.94 -3.49 116.42 111.44 2k45 h ASP 49 Ca 0.00 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.12 2k45 h ASP 49 Cb 0.00 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.21 2k45 h ASP 49 CO 0.00 0.05 -0.79 1.17 -2.88 0.00 0.00 179.24 176.79 2k45 n LYS 50 N -2.40 -5.81 -0.52 0.28 0.00 -1.26 -4.87 118.16 103.59 2k45 n LYS 50 Ca -0.00 0.82 -0.03 0.00 0.00 0.00 0.00 58.31 59.09 2k45 n LYS 50 Cb 0.02 -5.77 0.15 0.00 0.00 0.00 0.00 35.03 29.43 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 -4.03 2.35 -3.37 1.64 5.02 -1.26 -4.70 118.16 113.80 2k45 n LYS 51 Ca -0.26 -1.53 -0.17 0.00 -2.02 0.00 0.00 58.31 54.33 2k45 n LYS 51 Cb 0.66 -1.75 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 2k45 n LYS 51 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k45 s LYS 52 N -1.76 0.56 -0.74 1.97 -2.85 -1.26 -4.63 119.74 111.03 2k45 s LYS 52 Ca 0.28 -0.71 -0.22 0.00 -1.00 0.00 0.00 55.97 54.32 2k45 s LYS 52 Cb 0.22 -0.73 0.08 0.00 -2.06 0.00 0.00 37.83 35.35 2k45 s LYS 52 CO 0.07 -1.16 1.03 0.21 0.10 0.00 0.00 175.35 175.60 2k45 s LYS 53 N 1.63 3.24 0.18 1.78 2.20 -1.26 -4.24 119.74 123.27 2k45 s LYS 53 Ca 0.15 -1.05 0.07 0.00 -0.36 0.00 0.00 55.97 54.78 2k45 s LYS 53 Cb -0.15 -4.44 -0.04 0.00 -1.51 0.00 0.00 37.83 31.69 2k45 s LYS 53 CO -0.10 -1.83 0.01 0.12 -0.36 0.00 0.00 175.35 173.19 2k45 s PHE 54 N 3.81 2.86 -0.10 4.03 5.36 -1.21 -5.05 117.98 127.68 2k45 s PHE 54 Ca 0.26 -0.13 -0.04 0.00 -0.96 0.00 0.00 56.93 56.06 2k45 s PHE 54 Cb -0.13 -1.38 0.05 0.00 -0.34 0.00 0.00 43.02 41.22 2k45 s PHE 54 CO 0.05 0.52 0.18 -2.00 -1.46 0.00 0.00 175.22 172.51 2k45 s GLU 55 N -3.00 0.07 0.65 10.12 2.12 -1.26 -3.09 118.70 124.30 2k45 s GLU 55 Ca 0.28 0.56 -0.16 0.00 0.36 0.00 0.00 54.97 56.01 2k45 s GLU 55 Cb -0.09 -0.33 -0.01 0.00 0.26 0.00 0.00 34.13 33.96 2k45 s GLU 55 CO 0.19 -0.34 1.12 0.95 -0.54 0.00 0.00 175.26 176.64 2k45 s THR 56 N 2.32 3.16 0.52 -1.70 -4.23 -1.23 -5.01 115.64 109.47 2k45 s THR 56 Ca 0.03 0.57 -0.22 0.00 -1.18 0.00 0.00 61.69 60.88 2k45 s THR 56 Cb -0.12 -3.10 -0.06 0.00 1.34 0.00 0.00 72.50 70.56 2k45 s THR 56 CO -0.07 -0.31 1.33 -0.75 -0.54 0.00 0.00 174.62 174.29 2k45 s LYS 57 N -3.95 3.33 -0.01 3.99 2.20 -1.26 -4.80 119.74 119.23 2k45 s LYS 57 Ca 0.68 2.18 -0.30 0.00 -0.36 0.00 0.00 55.97 58.17 2k45 s LYS 57 Cb -0.22 -2.34 -0.03 0.00 -1.51 0.00 0.00 37.83 33.73 2k45 s LYS 57 CO 0.39 -1.02 1.08 0.54 -0.36 0.00 0.00 175.35 175.98 2k45 s VAL 58 N -1.33 4.53 -0.98 4.02 0.11 -1.26 -4.69 120.40 120.80 2k45 s VAL 58 Ca 0.69 1.82 -0.11 0.00 -2.93 0.00 0.00 61.98 61.44 2k45 s VAL 58 Cb -0.39 -4.17 0.25 0.00 -1.53 0.00 0.00 36.38 30.54 2k45 s VAL 58 CO 0.47 0.10 0.96 -1.00 -3.33 0.00 0.00 175.10 172.29 2k45 s HIS 59 N 1.36 4.03 0.03 1.54 0.09 -0.44 -4.98 115.29 116.92 2k45 s HIS 59 Ca 0.54 -2.36 -0.30 0.00 -0.00 0.00 0.00 55.06 52.93 2k45 s HIS 59 Cb -0.23 -3.83 -0.06 0.00 -0.00 0.00 0.00 32.58 28.45 2k45 s HIS 59 CO 0.26 -0.97 1.44 -0.98 -0.00 0.00 0.00 174.74 174.48 2k45 s ARG 60 N -0.58 4.28 -0.64 1.40 1.04 -1.26 -3.11 118.95 120.08 2k45 s ARG 60 Ca 0.25 2.04 -0.00 0.00 -1.04 0.00 0.00 55.73 56.97 2k45 s ARG 60 Cb -0.10 -3.53 -0.00 0.00 -2.04 0.00 0.00 34.95 29.28 2k45 s ARG 60 CO -0.08 -0.58 0.54 1.63 -0.04 0.00 0.00 175.30 176.76 2k45 n LYS 61 N 5.20 -3.29 -3.69 3.89 4.76 -0.77 -4.97 118.16 119.29 2k45 n LYS 61 Ca 0.13 0.46 -0.10 0.00 -2.87 0.00 0.00 58.31 55.93 2k45 n LYS 61 Cb 0.43 -4.26 -0.11 0.00 -1.84 0.00 0.00 35.03 29.25 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 -0.05 -1.92 -0.18 -4.23 -0.33 -4.84 115.64 100.89 2k45 s THR 62 Ca 0.03 0.10 0.27 0.00 -1.18 0.00 0.00 61.69 60.91 2k45 s THR 62 Cb -0.00 -0.61 0.38 0.00 1.34 0.00 0.00 72.50 73.61 2k45 s THR 62 CO 0.40 0.04 1.67 0.18 -0.54 0.00 0.00 174.62 176.37 2k45 n LEU 63 N 4.31 1.03 -3.33 4.79 4.77 -1.26 -3.63 117.00 123.68 2k45 n LEU 63 Ca -0.23 -0.27 -0.26 0.00 -0.03 0.00 0.00 56.01 55.22 2k45 n LEU 63 Cb 0.55 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 2k45 n LEU 63 CO 0.08 0.19 -0.28 -3.20 -1.33 0.00 0.00 177.39 172.85 2k45 n ASN 64 N -0.50 0.17 -4.82 -1.43 4.05 -1.26 -0.17 115.26 111.29 2k45 n ASN 64 Ca 0.14 -2.60 -0.34 0.00 0.45 0.00 0.00 54.58 52.23 2k45 n ASN 64 Cb 0.33 -0.60 -0.06 0.00 1.23 0.00 0.00 39.78 40.68 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 -0.67 4.20 -0.23 1.20 0.04 -1.01 -4.90 135.00 133.64 2k45 s PRO 65 Ca 0.34 0.89 -0.00 0.00 0.04 0.00 0.00 61.00 62.27 2k45 s PRO 65 Cb 0.10 -2.61 0.06 0.00 0.04 0.00 0.00 34.50 32.09 2k45 s PRO 65 CO -0.15 0.24 -0.01 0.14 0.04 0.00 0.00 177.00 177.25 2k45 s VAL 66 N -1.79 1.23 -0.25 -0.36 -7.23 -1.26 -1.68 120.40 109.06 2k45 s VAL 66 Ca 0.51 -1.10 -0.11 0.00 -1.81 0.00 0.00 61.98 59.47 2k45 s VAL 66 Cb -0.14 -1.61 -0.16 0.00 0.56 0.00 0.00 36.38 35.03 2k45 s VAL 66 CO 0.19 -0.20 -0.15 0.33 -0.31 0.00 0.00 175.10 174.96 2k45 n PHE 67 N 4.77 0.31 -3.03 2.82 -0.00 -0.82 -4.95 117.46 116.56 2k45 n PHE 67 Ca -0.10 0.11 -0.11 0.00 -0.00 0.00 0.00 57.45 57.35 2k45 n PHE 67 Cb 0.45 -1.03 0.01 0.00 -0.00 0.00 0.00 39.48 38.90 2k45 n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k45 n ASN 68 N -3.95 -7.46 -4.25 -2.13 5.15 0.25 -5.02 115.26 97.86 2k45 n ASN 68 Ca -0.46 0.23 -0.34 0.00 -0.60 0.00 0.00 54.58 53.40 2k45 n ASN 68 Cb 0.90 -4.72 -0.15 0.00 -0.53 0.00 0.00 39.78 35.27 2k45 n ASN 68 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2k45 s GLU 69 N -2.81 3.23 -0.39 1.20 2.56 -1.26 -4.89 118.70 116.34 2k45 s GLU 69 Ca 0.19 -0.71 -0.29 0.00 0.00 0.00 0.00 54.97 54.16 2k45 s GLU 69 Cb -0.05 -2.78 0.02 0.00 2.00 0.00 0.00 34.13 33.32 2k45 s GLU 69 CO 0.79 -0.14 1.18 -1.14 -0.56 0.00 0.00 175.26 175.39 2k45 s GLN 70 N 1.23 3.84 -0.65 4.30 -0.44 -1.25 -3.59 119.66 123.10 2k45 s GLN 70 Ca 0.03 0.88 -0.19 0.00 -2.50 0.00 0.00 55.36 53.57 2k45 s GLN 70 Cb -0.14 -3.87 0.11 0.00 -1.64 0.00 0.00 33.01 27.47 2k45 s GLN 70 CO -0.05 -1.22 0.79 0.12 0.50 0.00 0.00 175.29 175.43 2k45 s PHE 71 N 4.32 2.99 -0.12 1.67 5.36 0.14 -4.88 117.98 127.46 2k45 s PHE 71 Ca 0.50 -0.99 -0.29 0.00 -0.96 0.00 0.00 56.93 55.19 2k45 s PHE 71 Cb -0.11 -4.08 -0.06 0.00 -0.34 0.00 0.00 43.02 38.43 2k45 s PHE 71 CO 0.26 -1.36 2.04 0.99 -1.46 0.00 0.00 175.22 175.69 2k45 s THR 72 N 2.78 3.10 -0.71 0.12 2.01 -1.26 -1.19 115.64 120.49 2k45 s THR 72 Ca 0.16 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 2k45 s THR 72 Cb -0.20 -3.11 0.18 0.00 0.01 0.00 0.00 72.50 69.38 2k45 s THR 72 CO 0.05 -0.05 0.56 0.12 -0.69 0.00 0.00 174.62 174.60 2k45 s PHE 73 N 6.46 3.54 -1.34 4.92 2.19 0.45 -4.95 117.98 129.25 2k45 s PHE 73 Ca 0.92 -2.64 -0.16 0.00 0.33 0.00 0.00 56.93 55.39 2k45 s PHE 73 Cb -0.35 -3.32 0.08 0.00 -1.31 0.00 0.00 43.02 38.11 2k45 s PHE 73 CO 0.37 -0.85 1.86 0.36 1.83 0.00 0.00 175.22 178.78 2k45 n LYS 74 N 3.38 3.14 -3.70 10.12 0.00 -1.26 0.33 118.16 130.18 2k45 n LYS 74 Ca 0.11 -3.16 -0.16 0.00 -0.00 0.00 0.00 58.31 55.10 2k45 n LYS 74 Cb 0.39 -3.36 -0.16 0.00 -0.00 0.00 0.00 35.03 31.91 2k45 n LYS 74 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2k45 s VAL 75 N 3.42 -0.15 0.65 0.58 1.01 -1.23 -4.74 120.40 119.95 2k45 s VAL 75 Ca 0.50 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.62 2k45 s VAL 75 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 2k45 s VAL 75 CO 0.02 0.13 1.00 -2.65 0.00 0.00 0.00 175.10 173.59 2k45 n PRO 76 N 4.89 0.76 -0.29 2.72 -0.02 -1.06 -4.00 135.00 138.00 2k45 n PRO 76 Ca -0.13 0.31 -0.05 0.00 -2.02 0.00 0.00 63.50 61.61 2k45 n PRO 76 Cb 0.50 -2.23 0.07 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.19 1.09 -0.07 6.00 -0.00 -1.92 1.03 116.97 123.29 2k45 h TYR 77 Ca -0.48 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.73 58.21 2k45 h TYR 77 Cb 1.35 -0.35 -0.00 0.00 -0.00 0.00 0.00 36.73 37.73 2k45 h TYR 77 CO 0.38 0.76 0.01 0.77 -0.00 0.00 0.00 178.16 180.08 2k45 h SER 78 N 1.11 0.08 1.34 0.10 0.02 -1.97 -1.90 113.55 112.33 2k45 h SER 78 Ca 0.28 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2k45 h SER 78 Cb 0.03 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k45 h SER 78 CO -0.05 0.09 -0.58 -0.33 -1.14 0.00 0.00 176.83 174.83 2k45 h GLU 79 N 0.10 0.00 -0.33 3.45 4.39 -0.65 -3.29 114.58 118.25 2k45 h GLU 79 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2k45 h GLU 79 Cb 0.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2k45 h GLU 79 CO -0.00 0.00 0.17 1.25 -1.16 0.00 0.00 179.01 179.27 2k45 h LEU 80 N 0.00 0.40 -0.52 1.33 6.46 0.17 -3.19 115.31 119.95 2k45 h LEU 80 Ca 0.00 -0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.83 2k45 h LEU 80 Cb 0.96 -0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 40.69 2k45 h LEU 80 CO 0.00 0.33 -0.33 1.23 -0.62 0.00 0.00 178.44 179.05 2k45 h GLY 81 N 0.54 -0.16 2.00 3.75 0.00 -1.63 0.12 103.07 107.69 2k45 h GLY 81 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.87 2k45 h GLY 81 CO -0.02 -0.21 0.00 -1.33 0.00 0.00 0.00 176.54 174.99 2k45 h GLY 82 N -0.19 0.00 -3.29 4.60 0.00 -1.83 -3.00 103.07 99.36 2k45 h GLY 82 Ca 0.21 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.03 2k45 h GLY 82 CO -0.63 0.00 0.01 0.54 0.00 0.00 0.00 176.54 176.46 2k45 s LYS 83 N -3.76 3.94 -0.12 4.80 3.01 0.43 -4.90 119.74 123.15 2k45 s LYS 83 Ca -0.01 0.52 0.02 0.00 -1.01 0.00 0.00 55.97 55.50 2k45 s LYS 83 Cb 0.10 -2.57 0.01 0.00 -1.01 0.00 0.00 37.83 34.36 2k45 s LYS 83 CO 0.46 0.25 -0.16 0.95 0.51 0.00 0.00 175.35 177.36 2k45 s THR 84 N -1.86 1.61 -0.02 2.17 -4.23 -1.26 -1.51 115.64 110.54 2k45 s THR 84 Ca 0.50 -0.71 -0.21 0.00 -1.18 0.00 0.00 61.69 60.09 2k45 s THR 84 Cb -0.11 -1.46 -0.05 0.00 1.34 0.00 0.00 72.50 72.22 2k45 s THR 84 CO 0.19 0.46 0.62 -1.48 -0.54 0.00 0.00 174.62 173.87 2k45 s LEU 85 N 0.97 4.40 -0.07 4.79 2.34 -1.17 -0.00 118.68 129.94 2k45 s LEU 85 Ca -0.06 1.17 0.04 0.00 0.06 0.00 0.00 54.13 55.34 2k45 s LEU 85 Cb -0.15 -2.96 0.00 0.00 -0.56 0.00 0.00 46.19 42.52 2k45 s LEU 85 CO -0.02 0.06 -0.19 0.68 -1.06 0.00 0.00 176.35 175.81 2k45 s VAL 86 N 0.02 1.64 0.01 1.48 -7.23 -0.45 -2.00 120.40 113.87 2k45 s VAL 86 Ca 0.32 -0.80 0.07 0.00 -1.81 0.00 0.00 61.98 59.77 2k45 s VAL 86 Cb -0.18 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 2k45 s VAL 86 CO 0.17 0.47 -0.23 -0.32 -0.31 0.00 0.00 175.10 174.88 2k45 s MET 87 N 0.26 1.71 -0.15 4.82 0.00 0.08 -0.68 119.30 125.35 2k45 s MET 87 Ca -0.11 -0.90 -0.03 0.00 0.00 0.00 0.00 55.69 54.65 2k45 s MET 87 Cb -0.15 -1.75 0.05 0.00 0.00 0.00 0.00 34.83 32.99 2k45 s MET 87 CO 0.05 0.47 0.04 0.00 0.00 0.00 0.00 175.02 175.57 2k45 s ALA 88 N -0.65 0.79 -0.28 4.11 0.00 0.60 -0.58 121.76 125.75 2k45 s ALA 88 Ca 0.09 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 2k45 s ALA 88 Cb -0.09 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 2k45 s ALA 88 CO 0.00 -0.98 1.30 0.54 0.00 0.00 0.00 175.76 176.62 2k45 s VAL 89 N 1.95 4.16 -0.11 0.00 0.11 0.01 0.99 120.40 127.51 2k45 s VAL 89 Ca 0.01 1.33 0.00 0.00 -2.93 0.00 0.00 61.98 60.40 2k45 s VAL 89 Cb -0.16 -4.12 -0.02 0.00 -1.53 0.00 0.00 36.38 30.55 2k45 s VAL 89 CO -0.07 -0.41 -0.13 -0.47 -3.33 0.00 0.00 175.10 170.69 2k45 s TYR 90 N 4.23 2.80 -0.16 1.54 5.04 0.47 -2.34 117.35 128.94 2k45 s TYR 90 Ca 0.56 -0.51 -0.16 0.00 -2.44 0.00 0.00 57.07 54.52 2k45 s TYR 90 Cb -0.18 -1.80 -0.04 0.00 0.35 0.00 0.00 41.96 40.29 2k45 s TYR 90 CO 0.22 -0.11 0.40 0.34 -1.34 0.00 0.00 175.55 175.06 2k45 s ASP 91 N 0.10 6.54 -0.71 4.32 -1.08 -1.22 -2.13 116.67 122.49 2k45 s ASP 91 Ca -0.06 0.64 -0.23 0.00 -0.52 0.00 0.00 52.55 52.38 2k45 s ASP 91 Cb -0.15 -2.24 0.07 0.00 -1.46 0.00 0.00 42.92 39.14 2k45 s ASP 91 CO 0.04 0.00 1.06 0.12 0.52 0.00 0.00 175.17 176.92 2k45 s PHE 92 N 0.80 2.62 -2.22 -5.34 5.36 -1.15 -4.34 117.98 113.70 2k45 s PHE 92 Ca 0.21 -0.53 0.19 0.00 -0.96 0.00 0.00 56.93 55.84 2k45 s PHE 92 Cb -0.14 -4.38 0.58 0.00 -0.34 0.00 0.00 43.02 38.74 2k45 s PHE 92 CO 0.08 -1.74 1.45 -0.40 -1.46 0.00 0.00 175.22 173.15 2k45 n ASP 93 N 8.00 2.12 0.00 6.13 5.68 -1.26 -4.48 116.55 132.74 2k45 n ASP 93 Ca 0.01 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 2k45 n ASP 93 Cb 0.47 -0.18 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 0.63 0.00 0.04 0.11 1.74 -1.26 -4.23 116.66 113.70 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 0.38 -4.25 0.00 0.00 -1.02 0.00 0.00 32.46 27.57 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 -1.20 -1.30 -1.55 7.35 -1.26 -5.13 117.46 112.37 2k45 n PHE 95 Ca 0.00 0.19 -0.09 0.00 -0.76 0.00 0.00 57.45 56.80 2k45 n PHE 95 Cb 0.00 0.72 0.06 0.00 0.35 0.00 0.00 39.48 40.61 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 -2.76 0.04 -4.66 -2.13 3.41 -1.26 -4.97 113.62 101.29 2k45 n SER 96 Ca 0.00 -1.15 -0.43 0.00 -0.26 0.00 0.00 58.87 57.04 2k45 n SER 96 Cb 0.00 -0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 63.63 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 -3.83 4.24 -0.09 4.33 -0.14 -1.26 -4.81 119.74 118.17 2k45 s LYS 97 Ca 0.22 1.70 -0.29 0.00 -1.36 0.00 0.00 55.97 56.23 2k45 s LYS 97 Cb -0.01 -3.76 -0.05 0.00 -1.68 0.00 0.00 37.83 32.33 2k45 s LYS 97 CO 0.15 -0.70 1.67 -1.01 -0.76 0.00 0.00 175.35 174.71 2k45 s HIS 98 N 3.45 1.96 -0.08 3.18 3.76 -1.26 -4.95 115.29 121.34 2k45 s HIS 98 Ca 0.56 0.25 -0.26 0.00 -0.15 0.00 0.00 55.06 55.47 2k45 s HIS 98 Cb -0.23 -3.93 -0.03 0.00 1.11 0.00 0.00 32.58 29.50 2k45 s HIS 98 CO 0.16 -3.73 0.81 0.34 -0.85 0.00 0.00 174.74 171.47 2k45 s ASP 99 N 3.68 7.08 0.05 1.40 2.15 -1.26 -4.88 116.67 124.89 2k45 s ASP 99 Ca 0.74 1.31 -0.31 0.00 0.43 0.00 0.00 52.55 54.73 2k45 s ASP 99 Cb -0.32 -2.46 -0.08 0.00 -0.30 0.00 0.00 42.92 39.76 2k45 s ASP 99 CO 0.30 -0.23 1.60 -0.63 -0.17 0.00 0.00 175.17 176.04 2k45 s ILE 100 N 1.22 3.20 -0.01 4.11 1.01 -1.24 -3.44 121.20 126.04 2k45 s ILE 100 Ca 0.42 0.62 -0.21 0.00 0.00 0.00 0.00 60.65 61.47 2k45 s ILE 100 Cb -0.18 -3.40 -0.23 0.00 0.01 0.00 0.00 42.46 38.66 2k45 s ILE 100 CO 0.19 -0.00 1.09 0.16 0.00 0.00 0.00 174.94 176.38 2k45 h ILE 101 N 4.86 1.46 -0.38 2.92 3.07 -1.65 -3.40 117.51 124.39 2k45 h ILE 101 Ca -0.41 -2.00 0.00 0.00 1.55 0.00 0.00 64.86 63.99 2k45 h ILE 101 Cb 1.20 2.60 0.00 0.00 -0.27 0.00 0.00 36.82 40.34 2k45 h ILE 101 CO 0.93 0.57 0.00 0.61 -1.05 0.00 0.00 178.15 179.21 2k45 n GLY 102 N 1.01 1.39 3.64 0.16 0.00 -1.18 -3.06 105.19 107.15 2k45 n GLY 102 Ca -0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 0.79 0.87 -0.05 1.61 -1.05 0.11 -0.81 118.70 120.17 2k45 s GLU 103 Ca 0.00 -0.43 -0.05 0.00 -0.15 0.00 0.00 54.97 54.34 2k45 s GLU 103 Cb 0.00 0.33 0.01 0.00 -0.44 0.00 0.00 34.13 34.03 2k45 s GLU 103 CO 0.00 -0.39 0.14 -0.59 0.95 0.00 0.00 175.26 175.37 2k45 s PHE 104 N -3.01 -0.16 -0.01 4.83 -0.12 0.25 -1.71 117.98 118.05 2k45 s PHE 104 Ca 0.10 0.39 0.02 0.00 -0.05 0.00 0.00 56.93 57.38 2k45 s PHE 104 Cb -0.00 0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.45 2k45 s PHE 104 CO -0.03 -0.08 -0.05 -1.59 -0.05 0.00 0.00 175.22 173.42 2k45 s LYS 105 N 0.08 0.55 -0.20 1.99 0.00 -1.26 -0.74 119.74 120.17 2k45 s LYS 105 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 55.97 55.75 2k45 s LYS 105 Cb -0.01 -0.56 0.10 0.00 0.00 0.00 0.00 37.83 37.36 2k45 s LYS 105 CO 0.00 0.07 0.29 0.54 0.00 0.00 0.00 175.35 176.25 2k45 s VAL 106 N 0.15 -0.45 0.17 1.79 0.11 -0.85 -5.03 120.40 116.29 2k45 s VAL 106 Ca -0.02 0.02 -0.34 0.00 -2.93 0.00 0.00 61.98 58.71 2k45 s VAL 106 Cb -0.06 -0.66 -0.14 0.00 -1.53 0.00 0.00 36.38 34.00 2k45 s VAL 106 CO -0.00 -0.08 1.54 -0.81 -3.33 0.00 0.00 175.10 172.42 2k45 n PRO 107 N 5.34 2.08 0.30 1.54 -0.04 -1.26 -3.02 135.00 139.93 2k45 n PRO 107 Ca -0.05 0.75 0.16 0.00 -0.04 0.00 0.00 63.50 64.31 2k45 n PRO 107 Cb 0.50 -2.50 0.92 0.00 -0.04 0.00 0.00 33.50 32.38 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 5.63 0.00 -0.08 0.54 2.86 -1.50 0.19 114.93 122.57 2k45 h MET 108 Ca -0.45 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.21 2k45 h MET 108 Cb 1.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 2k45 h MET 108 CO 0.87 0.02 0.06 -0.97 1.06 0.00 0.00 176.91 177.95 2k45 h ASN 109 N 0.00 0.03 0.61 1.22 -0.73 -1.35 -1.24 115.58 114.12 2k45 h ASN 109 Ca -0.00 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 2k45 h ASN 109 Cb 0.08 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.65 2k45 h ASN 109 CO 0.00 0.02 -1.41 0.41 -0.37 0.00 0.00 177.43 176.09 2k45 n THR 110 N -4.52 0.49 -2.71 -3.57 -1.04 0.62 -4.91 114.28 98.63 2k45 n THR 110 Ca -0.01 -0.55 -0.43 0.00 -2.04 0.00 0.00 64.05 61.02 2k45 n THR 110 Cb 0.14 -0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 68.36 2k45 n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k45 s VAL 111 N -3.35 4.74 -0.49 12.58 1.01 -0.47 -4.97 120.40 129.45 2k45 s VAL 111 Ca -0.03 1.95 -0.28 0.00 0.00 0.00 0.00 61.98 63.61 2k45 s VAL 111 Cb 0.11 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.23 2k45 s VAL 111 CO 0.83 -0.10 1.34 -0.62 0.00 0.00 0.00 175.10 176.56 2k45 s ASP 112 N 1.18 6.33 -1.10 3.32 2.15 -1.26 -4.91 116.67 122.37 2k45 s ASP 112 Ca 0.44 0.51 -0.04 0.00 0.43 0.00 0.00 52.55 53.89 2k45 s ASP 112 Cb -0.16 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.09 2k45 s ASP 112 CO 0.10 -1.50 2.29 2.22 -0.17 0.00 0.00 175.17 178.11 2k45 n PHE 113 N 8.87 2.52 -0.08 -5.34 -1.74 -1.26 -4.50 117.46 115.93 2k45 n PHE 113 Ca 0.14 -2.61 -0.09 0.00 -0.56 0.00 0.00 57.45 54.32 2k45 n PHE 113 Cb 0.49 -1.58 -0.05 0.00 1.52 0.00 0.00 39.48 39.86 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2k45 h GLY 114 N 4.88 0.00 0.00 4.97 0.00 -2.01 -3.50 103.07 107.41 2k45 h GLY 114 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2k45 h GLY 114 CO 1.32 0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.28 2k45 n HIS 115 N -4.59 0.00 -4.96 5.60 8.25 -1.26 -5.03 115.22 113.23 2k45 n HIS 115 Ca -0.13 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.04 2k45 n HIS 115 Cb 0.36 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.30 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 1.83 1.66 -0.61 1.59 -7.23 -1.26 -4.03 120.40 112.36 2k45 s VAL 116 Ca 0.00 -0.80 -0.21 0.00 -1.81 0.00 0.00 61.98 59.16 2k45 s VAL 116 Cb 0.00 -1.45 0.08 0.00 0.56 0.00 0.00 36.38 35.57 2k45 s VAL 116 CO 0.00 0.47 0.80 -0.89 -0.31 0.00 0.00 175.10 175.18 2k45 s THR 117 N 0.35 4.62 -0.29 5.32 2.01 0.42 -4.92 115.64 123.15 2k45 s THR 117 Ca -0.14 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 2k45 s THR 117 Cb -0.16 -4.55 0.05 0.00 0.01 0.00 0.00 72.50 67.85 2k45 s THR 117 CO 0.06 -1.22 -0.03 -1.61 -0.69 0.00 0.00 174.62 171.13 2k45 s GLU 118 N 3.26 2.45 0.14 4.92 2.02 -1.26 0.27 118.70 130.50 2k45 s GLU 118 Ca 0.17 -1.24 -0.24 0.00 0.02 0.00 0.00 54.97 53.68 2k45 s GLU 118 Cb -0.20 -3.10 0.07 0.00 0.10 0.00 0.00 34.13 31.00 2k45 s GLU 118 CO 0.09 -0.58 0.67 -1.83 0.02 0.00 0.00 175.26 173.63 2k45 s GLU 119 N 1.23 1.25 -0.47 1.61 -1.05 -0.82 -5.00 118.70 115.46 2k45 s GLU 119 Ca -0.05 -0.50 -0.26 0.00 -0.15 0.00 0.00 54.97 54.01 2k45 s GLU 119 Cb -0.19 0.55 0.03 0.00 -0.44 0.00 0.00 34.13 34.08 2k45 s GLU 119 CO -0.02 -0.55 0.95 -1.58 0.95 0.00 0.00 175.26 175.00 2k45 s TRP 120 N -3.65 2.90 -0.06 4.83 0.23 -1.26 -1.91 118.94 120.01 2k45 s TRP 120 Ca 0.03 0.39 -0.01 0.00 -2.03 0.00 0.00 56.10 54.48 2k45 s TRP 120 Cb -0.02 -4.03 -0.03 0.00 0.03 0.00 0.00 33.47 29.42 2k45 s TRP 120 CO -0.10 -1.14 0.01 0.50 0.96 0.00 0.00 176.95 177.18 2k45 s ARG 121 N 3.85 2.95 -0.10 4.98 6.06 -0.80 -4.95 118.95 130.94 2k45 s ARG 121 Ca 0.38 -0.45 -0.14 0.00 -2.50 0.00 0.00 55.73 53.02 2k45 s ARG 121 Cb -0.10 -2.77 -0.05 0.00 0.06 0.00 0.00 34.95 32.09 2k45 s ARG 121 CO 0.27 0.69 0.34 0.16 -2.50 0.00 0.00 175.30 174.25 2k45 s ASP 122 N -1.07 6.59 -0.24 -2.12 -4.77 -1.26 0.63 116.67 114.42 2k45 s ASP 122 Ca 0.15 0.70 -0.19 0.00 -3.30 0.00 0.00 52.55 49.90 2k45 s ASP 122 Cb -0.11 -2.21 -0.02 0.00 -1.09 0.00 0.00 42.92 39.48 2k45 s ASP 122 CO 0.05 0.19 0.57 -0.76 0.70 0.00 0.00 175.17 175.92 2k45 s LEU 123 N -0.17 4.08 -0.03 2.11 1.43 0.30 -4.71 118.68 121.68 2k45 s LEU 123 Ca 0.20 0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 53.92 2k45 s LEU 123 Cb -0.14 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 2k45 s LEU 123 CO 0.08 -0.30 0.13 0.00 0.23 0.00 0.00 176.35 176.49 2k45 s GLN 124 N 2.25 3.29 -0.40 1.70 -2.07 -0.70 -1.50 119.66 122.23 2k45 s GLN 124 Ca 0.24 -0.35 -0.28 0.00 -1.82 0.00 0.00 55.36 53.15 2k45 s GLN 124 Cb -0.16 -3.02 -0.00 0.00 -1.09 0.00 0.00 33.01 28.74 2k45 s GLN 124 CO 0.09 0.69 1.60 -1.12 -1.32 0.00 0.00 175.29 175.23 2k45 s SER 125 N -1.66 6.07 -0.13 12.60 0.01 -1.26 0.09 113.70 129.41 2k45 s SER 125 Ca 0.23 0.95 -0.08 0.00 1.31 0.00 0.00 55.95 58.35 2k45 s SER 125 Cb -0.12 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2k45 s SER 125 CO 0.14 -1.63 0.15 0.00 0.41 0.00 0.00 173.24 172.31 2k45 s ALA 126 N 6.32 3.83 -1.10 1.44 0.00 -1.17 -4.70 121.76 126.37 2k45 s ALA 126 Ca 0.69 -0.63 -0.08 0.00 0.00 0.00 0.00 51.96 51.94 2k45 s ALA 126 Cb -0.17 -2.04 0.28 0.00 0.00 0.00 0.00 23.12 21.19 2k45 s ALA 126 CO 0.32 0.51 1.14 0.39 0.00 0.00 0.00 175.76 178.12 2k45 n GLU 127 N 2.34 3.61 0.00 0.00 1.02 -1.26 -3.85 120.64 122.50 2k45 n GLU 127 Ca -0.19 -4.47 0.05 0.00 -0.02 0.00 0.00 57.16 52.53 2k45 n GLU 127 Cb 0.54 -2.54 0.04 0.00 -0.02 0.00 0.00 31.44 29.46 2k45 n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94