#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 0.33 0.00 3.44 0.00 -1.26 -4.50 119.74 117.75 2k45 s LYS 2 Ca 0.00 -0.07 0.29 0.00 0.00 0.00 0.00 55.97 56.18 2k45 s LYS 2 Cb 0.00 0.05 1.18 0.00 0.00 0.00 0.00 37.83 39.06 2k45 s LYS 2 CO 0.00 -0.48 1.85 1.47 0.00 0.00 0.00 175.35 178.18 2k45 n LEU 3 N 4.02 0.29 0.00 2.77 -0.00 -1.25 -4.87 117.00 117.96 2k45 n LEU 3 Ca 0.07 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 2k45 n LEU 3 Cb 0.61 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 2k45 n LEU 3 CO -0.09 0.06 0.00 0.61 -0.00 0.00 0.00 177.39 177.97 2k45 n GLY 4 N 1.36 -0.54 3.24 1.47 0.00 -1.25 -3.56 105.19 105.90 2k45 n GLY 4 Ca 0.12 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 2k45 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k45 s LYS 5 N 0.00 1.18 -0.18 1.61 1.02 -1.20 -2.34 119.74 119.83 2k45 s LYS 5 Ca 0.00 -1.61 -0.02 0.00 0.02 0.00 0.00 55.97 54.36 2k45 s LYS 5 Cb 0.00 -0.05 0.05 0.00 -0.52 0.00 0.00 37.83 37.32 2k45 s LYS 5 CO 0.00 -0.26 0.01 -0.48 -0.92 0.00 0.00 175.35 173.70 2k45 s LEU 6 N -3.19 1.36 -0.21 3.17 2.34 0.15 0.25 118.68 122.56 2k45 s LEU 6 Ca 0.31 -0.78 -0.21 0.00 0.06 0.00 0.00 54.13 53.51 2k45 s LEU 6 Cb 0.07 -0.70 -0.02 0.00 -0.56 0.00 0.00 46.19 44.98 2k45 s LEU 6 CO 0.08 -0.27 0.67 0.00 -1.06 0.00 0.00 176.35 175.77 2k45 s GLN 7 N 1.78 4.20 0.24 1.48 0.00 -0.76 -3.16 119.66 123.45 2k45 s GLN 7 Ca -0.01 0.67 -0.03 0.00 -0.00 0.00 0.00 55.36 56.00 2k45 s GLN 7 Cb -0.17 -3.60 -0.03 0.00 0.00 0.00 0.00 33.01 29.22 2k45 s GLN 7 CO -0.07 -0.31 0.27 1.52 0.00 0.00 0.00 175.29 176.70 2k45 s TYR 8 N 2.13 1.03 -0.11 9.60 -0.85 -1.22 -1.01 117.35 126.92 2k45 s TYR 8 Ca 0.30 -1.25 0.00 0.00 -0.52 0.00 0.00 57.07 55.61 2k45 s TYR 8 Cb -0.16 -0.34 0.02 0.00 0.38 0.00 0.00 41.96 41.86 2k45 s TYR 8 CO 0.10 -0.81 -0.10 -1.54 -1.52 0.00 0.00 175.55 171.67 2k45 s SER 9 N -3.16 2.23 -0.20 -0.18 1.04 -1.26 -2.26 113.70 109.92 2k45 s SER 9 Ca 0.34 -0.35 -0.02 0.00 0.48 0.00 0.00 55.95 56.41 2k45 s SER 9 Cb 0.04 -0.93 0.00 0.00 0.10 0.00 0.00 66.02 65.23 2k45 s SER 9 CO 0.14 -0.07 -0.11 -0.76 0.98 0.00 0.00 173.24 173.42 2k45 s LEU 10 N 1.43 2.60 0.28 2.42 2.01 -0.30 -1.09 118.68 126.03 2k45 s LEU 10 Ca 0.01 -0.48 0.04 0.00 0.01 0.00 0.00 54.13 53.71 2k45 s LEU 10 Cb -0.13 -1.63 -0.03 0.00 0.01 0.00 0.00 46.19 44.40 2k45 s LEU 10 CO -0.06 0.01 0.22 -0.62 1.01 0.00 0.00 176.35 176.91 2k45 s ASP 11 N 1.28 1.06 -0.07 2.29 2.15 0.17 -1.20 116.67 122.35 2k45 s ASP 11 Ca 0.03 -1.61 -0.03 0.00 0.43 0.00 0.00 52.55 51.37 2k45 s ASP 11 Cb -0.14 0.49 0.04 0.00 -0.30 0.00 0.00 42.92 43.01 2k45 s ASP 11 CO -0.05 -0.97 0.12 -0.72 -0.17 0.00 0.00 175.17 173.37 2k45 s TYR 12 N -3.73 -0.07 -0.63 -5.34 1.13 -1.23 0.41 117.35 107.89 2k45 s TYR 12 Ca 0.40 0.43 -0.23 0.00 -1.41 0.00 0.00 57.07 56.25 2k45 s TYR 12 Cb 0.04 -0.37 0.06 0.00 -1.10 0.00 0.00 41.96 40.59 2k45 s TYR 12 CO 0.21 -0.26 0.97 0.34 -2.51 0.00 0.00 175.55 174.31 2k45 s ASP 13 N 2.24 6.22 0.21 -0.18 -1.08 -1.12 -4.89 116.67 118.07 2k45 s ASP 13 Ca 0.04 -0.77 0.22 0.00 -0.52 0.00 0.00 52.55 51.52 2k45 s ASP 13 Cb -0.12 -2.43 0.02 0.00 -1.46 0.00 0.00 42.92 38.92 2k45 s ASP 13 CO -0.05 -1.40 1.07 2.19 0.52 0.00 0.00 175.17 177.51 2k45 h PHE 14 N 9.51 0.00 -0.35 -5.34 -0.00 -1.95 -2.18 116.94 116.63 2k45 h PHE 14 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.69 2k45 h PHE 14 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.02 2k45 h PHE 14 CO 0.96 0.03 0.00 0.00 -0.00 0.00 0.00 178.31 179.30 2k45 n GLN 15 N -2.72 2.29 -0.03 6.09 0.00 -1.26 -0.78 117.38 120.97 2k45 n GLN 15 Ca -0.00 -1.46 0.05 0.00 0.00 0.00 0.00 57.00 55.59 2k45 n GLN 15 Cb 0.56 -1.51 0.06 0.00 0.00 0.00 0.00 30.24 29.35 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 0.51 2.06 -3.57 2.61 0.23 -1.19 -5.05 115.26 110.86 2k45 n ASN 16 Ca 0.13 -1.54 -0.25 0.00 -0.53 0.00 0.00 54.58 52.39 2k45 n ASN 16 Cb 0.47 -0.04 0.05 0.00 -2.08 0.00 0.00 39.78 38.18 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 0.55 -4.74 -3.88 0.53 3.02 0.04 -5.01 115.26 105.77 2k45 n ASN 17 Ca 0.07 -0.89 -0.11 0.00 -0.03 0.00 0.00 54.58 53.62 2k45 n ASN 17 Cb 0.29 -4.04 -0.13 0.00 -0.61 0.00 0.00 39.78 35.29 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 -5.54 0.13 0.33 3.52 1.03 -0.96 -3.32 119.66 114.86 2k45 s GLN 18 Ca 0.36 -0.11 -0.19 0.00 0.04 0.00 0.00 55.36 55.46 2k45 s GLN 18 Cb -0.10 0.05 -0.10 0.00 0.03 0.00 0.00 33.01 32.90 2k45 s GLN 18 CO 0.82 -0.02 0.82 -0.51 -2.54 0.00 0.00 175.29 173.86 2k45 s LEU 19 N -0.38 4.13 -0.12 2.60 1.43 0.19 -2.80 118.68 123.73 2k45 s LEU 19 Ca -0.04 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 2k45 s LEU 19 Cb -0.03 -4.10 0.02 0.00 0.03 0.00 0.00 46.19 42.11 2k45 s LEU 19 CO -0.00 -0.18 -0.11 -0.22 0.23 0.00 0.00 176.35 176.07 2k45 s LEU 20 N -2.69 1.42 -0.51 1.79 0.20 0.17 -1.75 118.68 117.30 2k45 s LEU 20 Ca 0.53 -0.36 0.06 0.00 0.69 0.00 0.00 54.13 55.05 2k45 s LEU 20 Cb -0.12 -0.95 0.21 0.00 -0.43 0.00 0.00 46.19 44.90 2k45 s LEU 20 CO 0.18 -0.07 0.51 1.33 -0.29 0.00 0.00 176.35 178.00 2k45 n VAL 21 N 4.70 0.19 -3.56 1.68 0.24 -1.21 0.41 118.33 120.78 2k45 n VAL 21 Ca -0.15 -4.23 -0.35 0.00 -2.04 0.00 0.00 64.34 57.56 2k45 n VAL 21 Cb 0.50 -1.94 -0.06 0.00 -1.47 0.00 0.00 33.84 30.88 2k45 n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k45 n GLY 22 N 1.84 4.31 0.00 7.63 0.00 -0.25 -2.18 105.19 116.54 2k45 n GLY 22 Ca 0.25 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.65 2k45 n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k45 n ILE 23 N 2.01 0.00 0.00 -0.61 2.08 -1.26 -4.33 119.36 117.25 2k45 n ILE 23 Ca 0.23 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.54 2k45 n ILE 23 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.26 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 -3.68 1.39 2.08 -0.18 -2.27 119.36 116.70 2k45 n ILE 24 Ca 0.00 0.11 -0.10 0.00 0.56 0.00 0.00 62.75 63.31 2k45 n ILE 24 Cb 0.00 -0.97 -0.05 0.00 -0.75 0.00 0.00 39.64 37.87 2k45 n ILE 24 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k45 s GLN 25 N -0.40 1.01 0.02 0.38 1.03 -1.25 0.38 119.66 120.84 2k45 s GLN 25 Ca 0.00 -0.73 0.00 0.00 0.04 0.00 0.00 55.36 54.68 2k45 s GLN 25 Cb 0.00 0.44 -0.04 0.00 0.03 0.00 0.00 33.01 33.44 2k45 s GLN 25 CO 0.00 -0.38 0.10 0.00 -2.54 0.00 0.00 175.29 172.47 2k45 s ALA 26 N -3.68 3.64 -0.04 2.60 0.00 -1.13 -1.83 121.76 121.31 2k45 s ALA 26 Ca 0.02 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2k45 s ALA 26 Cb 0.02 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.57 2k45 s ALA 26 CO -0.11 0.72 -0.12 0.00 0.00 0.00 0.00 175.76 176.25 2k45 s ALA 27 N -1.28 1.17 -1.13 0.00 0.00 0.14 -2.91 121.76 117.74 2k45 s ALA 27 Ca 0.26 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 2k45 s ALA 27 Cb -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.55 2k45 s ALA 27 CO 0.18 0.16 0.96 0.39 0.00 0.00 0.00 175.76 177.45 2k45 n GLU 28 N 3.46 -6.45 -2.91 0.00 1.02 -0.15 -3.26 120.64 112.35 2k45 n GLU 28 Ca -0.20 0.73 -0.32 0.00 -0.02 0.00 0.00 57.16 57.35 2k45 n GLU 28 Cb 0.53 -5.46 -0.06 0.00 -0.02 0.00 0.00 31.44 26.43 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 -6.20 3.95 0.50 -4.62 1.43 0.79 -4.50 118.68 110.03 2k45 s LEU 29 Ca 0.28 1.47 -0.22 0.00 -1.03 0.00 0.00 54.13 54.63 2k45 s LEU 29 Cb -0.12 -4.31 -0.07 0.00 0.03 0.00 0.00 46.19 41.71 2k45 s LEU 29 CO 0.64 -0.32 1.17 -2.65 0.23 0.00 0.00 176.35 175.41 2k45 n PRO 30 N -0.67 1.50 -2.94 1.29 -0.02 -1.26 -4.64 135.00 128.24 2k45 n PRO 30 Ca 0.05 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 2k45 n PRO 30 Cb 0.54 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.32 3.62 -0.34 3.55 0.00 -1.26 -4.58 121.76 121.42 2k45 s ALA 31 Ca 0.68 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.54 2k45 s ALA 31 Cb -0.47 -3.21 0.45 0.00 0.00 0.00 0.00 23.12 19.89 2k45 s ALA 31 CO 0.53 -0.84 1.20 1.28 0.00 0.00 0.00 175.76 177.93 2k45 n LEU 32 N 5.78 4.98 -3.88 0.00 7.99 -0.91 -4.85 117.00 126.11 2k45 n LEU 32 Ca 0.04 -4.85 -0.10 0.00 -0.01 0.00 0.00 56.01 51.09 2k45 n LEU 32 Cb 0.48 -0.40 -0.09 0.00 -0.11 0.00 0.00 43.42 43.31 2k45 n LEU 32 CO 0.46 2.12 -0.14 -0.62 -1.51 0.00 0.00 177.39 177.70 2k45 s ASP 33 N -3.51 0.10 -1.43 -1.43 2.15 0.49 -3.71 116.67 109.33 2k45 s ASP 33 Ca 0.51 -0.47 -0.12 0.00 0.43 0.00 0.00 52.55 52.90 2k45 s ASP 33 Cb 0.41 0.27 0.06 0.00 -0.30 0.00 0.00 42.92 43.36 2k45 s ASP 33 CO -0.02 -0.56 2.25 0.23 -0.17 0.00 0.00 175.17 176.89 2k45 n MET 34 N 0.61 3.23 -0.08 4.34 2.81 -1.26 -2.92 117.12 123.85 2k45 n MET 34 Ca -0.18 -2.82 -0.00 0.00 -1.81 0.00 0.00 57.70 52.89 2k45 n MET 34 Cb 0.59 -3.11 -0.00 0.00 -0.71 0.00 0.00 33.22 30.00 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 3.59 0.08 3.78 3.03 0.00 -1.26 -4.94 105.19 109.47 2k45 n GLY 35 Ca 0.53 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.27 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 3.29 -0.02 0.00 -1.15 -4.98 105.19 101.83 2k45 n GLY 36 Ca -0.00 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.27 0.06 0.25 2.61 -4.23 -1.24 -4.87 115.64 104.95 2k45 s THR 37 Ca 0.62 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 2k45 s THR 37 Cb -0.31 -2.49 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 2k45 s THR 37 CO 0.77 0.00 -0.01 -0.94 -0.54 0.00 0.00 174.62 173.89 2k45 s SER 38 N -3.36 2.17 -0.75 3.99 1.04 -1.23 -0.38 113.70 115.18 2k45 s SER 38 Ca 0.39 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.63 2k45 s SER 38 Cb 0.03 -0.05 0.25 0.00 0.10 0.00 0.00 66.02 66.35 2k45 s SER 38 CO 0.24 -0.47 0.87 0.47 0.98 0.00 0.00 173.24 175.34 2k45 n ASP 39 N -0.49 4.26 -4.73 7.02 9.92 -1.26 -1.09 116.55 130.18 2k45 n ASP 39 Ca -0.05 -3.40 -0.35 0.00 -0.53 0.00 0.00 54.79 50.46 2k45 n ASP 39 Cb 0.64 -0.82 0.08 0.00 -0.64 0.00 0.00 41.12 40.38 2k45 n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k45 s PRO 40 N -2.39 2.30 -0.22 -0.24 0.04 -1.22 -2.80 135.00 130.47 2k45 s PRO 40 Ca 0.36 1.81 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 2k45 s PRO 40 Cb 0.10 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.86 2k45 s PRO 40 CO -0.01 -1.73 0.56 -0.47 0.04 0.00 0.00 177.00 175.39 2k45 s TYR 41 N -1.85 -0.78 -0.34 0.56 6.14 -1.02 -1.71 117.35 118.34 2k45 s TYR 41 Ca 0.76 1.67 -0.14 0.00 0.64 0.00 0.00 57.07 60.00 2k45 s TYR 41 Cb -0.31 0.39 -0.01 0.00 0.42 0.00 0.00 41.96 42.45 2k45 s TYR 41 CO 0.43 -0.40 0.32 0.08 0.64 0.00 0.00 175.55 176.62 2k45 s VAL 42 N 1.16 5.21 -0.37 3.14 1.01 -1.26 0.99 120.40 130.28 2k45 s VAL 42 Ca -0.07 -0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 2k45 s VAL 42 Cb -0.06 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2k45 s VAL 42 CO -0.11 -0.07 0.78 -1.59 0.00 0.00 0.00 175.10 174.11 2k45 s LYS 43 N 1.91 3.71 -0.31 2.72 -2.85 0.19 -3.17 119.74 121.94 2k45 s LYS 43 Ca 0.10 0.25 -0.09 0.00 -1.00 0.00 0.00 55.97 55.22 2k45 s LYS 43 Cb -0.17 -3.83 -0.00 0.00 -2.06 0.00 0.00 37.83 31.77 2k45 s LYS 43 CO 0.11 -0.88 0.14 0.08 0.10 0.00 0.00 175.35 174.91 2k45 s VAL 44 N 3.11 4.52 0.28 1.79 1.01 -1.23 -1.53 120.40 128.36 2k45 s VAL 44 Ca 0.31 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 2k45 s VAL 44 Cb -0.13 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2k45 s VAL 44 CO 0.18 0.06 0.36 -0.36 0.00 0.00 0.00 175.10 175.35 2k45 s PHE 45 N 1.60 1.00 0.01 5.22 0.08 -0.95 -1.50 117.98 123.44 2k45 s PHE 45 Ca 0.04 -1.22 0.08 0.00 0.12 0.00 0.00 56.93 55.96 2k45 s PHE 45 Cb -0.17 -0.21 -0.02 0.00 -0.57 0.00 0.00 43.02 42.04 2k45 s PHE 45 CO 0.06 -0.94 -0.25 -0.51 -0.10 0.00 0.00 175.22 173.48 2k45 s LEU 46 N -3.18 2.19 0.70 -0.37 1.43 -1.26 -2.84 118.68 115.35 2k45 s LEU 46 Ca 0.32 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 2k45 s LEU 46 Cb 0.02 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.91 2k45 s LEU 46 CO 0.16 0.29 1.07 -0.76 0.23 0.00 0.00 176.35 177.34 2k45 s LEU 47 N -0.94 2.91 0.00 1.79 1.43 0.13 -3.31 118.68 120.69 2k45 s LEU 47 Ca 0.11 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2k45 s LEU 47 Cb -0.10 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2k45 s LEU 47 CO 0.01 -1.36 0.00 -2.65 0.23 0.00 0.00 176.35 172.58 2k45 n PRO 48 N -2.97 0.00 -0.03 1.29 -0.02 -1.26 -3.83 135.00 128.19 2k45 n PRO 48 Ca 0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.54 2k45 n PRO 48 Cb 0.58 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.05 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 -4.37 2.55 3.58 -1.90 -3.49 116.42 112.79 2k45 h ASP 49 Ca 0.00 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 2k45 h ASP 49 Cb 0.00 0.00 0.11 0.00 1.72 0.00 0.00 39.33 41.16 2k45 h ASP 49 CO 0.00 0.30 -0.50 0.29 -2.88 0.00 0.00 179.24 176.45 2k45 n LYS 50 N -3.38 -3.09 -0.77 0.28 4.76 -1.21 -4.91 118.16 109.84 2k45 n LYS 50 Ca -0.01 0.53 -0.06 0.00 -2.87 0.00 0.00 58.31 55.90 2k45 n LYS 50 Cb 0.06 -4.45 0.21 0.00 -1.84 0.00 0.00 35.03 29.00 2k45 n LYS 50 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2k45 n LYS 51 N -2.81 2.84 -3.41 1.97 2.85 -1.26 -4.74 118.16 113.60 2k45 n LYS 51 Ca -0.13 -2.22 -0.22 0.00 -1.05 0.00 0.00 58.31 54.69 2k45 n LYS 51 Cb 0.59 -1.95 -0.10 0.00 -0.65 0.00 0.00 35.03 32.93 2k45 n LYS 51 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2k45 s LYS 52 N -2.32 0.58 -0.66 -1.58 2.47 -1.26 -4.64 119.74 112.32 2k45 s LYS 52 Ca 0.40 -1.04 -0.23 0.00 -1.56 0.00 0.00 55.97 53.54 2k45 s LYS 52 Cb 0.32 -0.98 0.07 0.00 -1.46 0.00 0.00 37.83 35.78 2k45 s LYS 52 CO 0.10 -1.20 0.97 0.15 0.16 0.00 0.00 175.35 175.54 2k45 s LYS 53 N 1.31 3.11 0.23 4.03 1.02 -1.26 -4.07 119.74 124.11 2k45 s LYS 53 Ca 0.17 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.42 2k45 s LYS 53 Cb -0.19 -4.23 -0.04 0.00 -0.52 0.00 0.00 37.83 32.86 2k45 s LYS 53 CO -0.03 -1.83 0.11 0.12 -0.92 0.00 0.00 175.35 172.80 2k45 s PHE 54 N 4.12 2.97 -0.22 3.18 5.36 -0.56 -5.05 117.98 127.79 2k45 s PHE 54 Ca 0.22 -0.13 -0.07 0.00 -0.96 0.00 0.00 56.93 56.00 2k45 s PHE 54 Cb -0.17 -1.36 0.10 0.00 -0.34 0.00 0.00 43.02 41.26 2k45 s PHE 54 CO 0.10 0.55 0.44 -2.00 -1.46 0.00 0.00 175.22 172.85 2k45 s GLU 55 N -3.56 0.36 0.52 10.12 2.12 -1.26 -3.56 118.70 123.43 2k45 s GLU 55 Ca 0.31 1.03 -0.17 0.00 0.36 0.00 0.00 54.97 56.50 2k45 s GLU 55 Cb -0.08 0.31 -0.07 0.00 0.26 0.00 0.00 34.13 34.55 2k45 s GLU 55 CO 0.23 -0.30 1.00 0.95 -0.54 0.00 0.00 175.26 176.60 2k45 s THR 56 N 2.64 4.33 0.61 -1.70 -4.23 -1.19 -5.04 115.64 111.05 2k45 s THR 56 Ca 0.00 1.16 -0.18 0.00 -1.18 0.00 0.00 61.69 61.49 2k45 s THR 56 Cb -0.12 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 2k45 s THR 56 CO -0.14 -0.59 1.16 -0.75 -0.54 0.00 0.00 174.62 173.75 2k45 s LYS 57 N -3.95 2.98 -0.06 3.99 2.20 -1.26 -4.80 119.74 118.84 2k45 s LYS 57 Ca 0.61 1.64 -0.30 0.00 -0.36 0.00 0.00 55.97 57.56 2k45 s LYS 57 Cb -0.11 -1.95 -0.03 0.00 -1.51 0.00 0.00 37.83 34.23 2k45 s LYS 57 CO 0.30 -1.16 1.11 0.54 -0.36 0.00 0.00 175.35 175.79 2k45 s VAL 58 N -1.88 4.48 -0.98 4.02 0.11 -1.26 -4.69 120.40 120.20 2k45 s VAL 58 Ca 0.73 1.78 -0.10 0.00 -2.93 0.00 0.00 61.98 61.46 2k45 s VAL 58 Cb -0.26 -4.14 0.25 0.00 -1.53 0.00 0.00 36.38 30.70 2k45 s VAL 58 CO 0.34 0.03 0.94 -1.00 -3.33 0.00 0.00 175.10 172.08 2k45 s HIS 59 N 1.93 4.04 0.11 1.54 0.09 -0.70 -4.99 115.29 117.33 2k45 s HIS 59 Ca 0.53 -2.50 -0.30 0.00 -0.00 0.00 0.00 55.06 52.78 2k45 s HIS 59 Cb -0.22 -3.75 -0.07 0.00 -0.00 0.00 0.00 32.58 28.54 2k45 s HIS 59 CO 0.22 -0.94 1.18 -0.98 -0.00 0.00 0.00 174.74 174.22 2k45 s ARG 60 N -0.77 4.48 -0.65 1.40 1.04 -1.26 -3.39 118.95 119.79 2k45 s ARG 60 Ca 0.26 1.78 -0.01 0.00 -1.04 0.00 0.00 55.73 56.72 2k45 s ARG 60 Cb -0.10 -3.31 0.00 0.00 -2.04 0.00 0.00 34.95 29.50 2k45 s ARG 60 CO -0.09 -0.16 0.55 1.63 -0.04 0.00 0.00 175.30 177.20 2k45 n LYS 61 N 3.32 -3.67 -3.69 3.89 4.76 -0.81 -4.96 118.16 117.00 2k45 n LYS 61 Ca 0.07 0.44 -0.11 0.00 -2.87 0.00 0.00 58.31 55.84 2k45 n LYS 61 Cb 0.46 -4.26 -0.09 0.00 -1.84 0.00 0.00 35.03 29.29 2k45 n LYS 61 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2k45 s THR 62 N -3.18 -0.01 -0.77 -0.18 -4.23 -0.25 -4.82 115.64 102.19 2k45 s THR 62 Ca 0.09 0.04 0.26 0.00 -1.18 0.00 0.00 61.69 60.90 2k45 s THR 62 Cb -0.04 -0.73 0.23 0.00 1.34 0.00 0.00 72.50 73.31 2k45 s THR 62 CO 0.38 0.02 1.72 0.18 -0.54 0.00 0.00 174.62 176.38 2k45 n LEU 63 N 3.69 0.65 -3.32 4.79 7.99 -1.26 -3.51 117.00 126.03 2k45 n LEU 63 Ca -0.19 0.49 -0.26 0.00 -0.01 0.00 0.00 56.01 56.04 2k45 n LEU 63 Cb 0.56 -0.33 -0.09 0.00 -0.11 0.00 0.00 43.42 43.46 2k45 n LEU 63 CO 0.07 -0.12 -0.31 -3.20 -1.51 0.00 0.00 177.39 172.32 2k45 n ASN 64 N -2.08 -0.33 -4.89 -1.43 4.05 -1.26 -0.14 115.26 109.17 2k45 n ASN 64 Ca 0.05 -2.48 -0.32 0.00 0.45 0.00 0.00 54.58 52.28 2k45 n ASN 64 Cb 0.41 -0.54 -0.05 0.00 1.23 0.00 0.00 39.78 40.83 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 -0.31 3.69 -0.24 1.20 0.04 -1.15 -4.89 135.00 133.34 2k45 s PRO 65 Ca 0.34 0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.43 2k45 s PRO 65 Cb 0.08 -2.84 0.06 0.00 0.04 0.00 0.00 34.50 31.84 2k45 s PRO 65 CO -0.17 0.46 -0.05 0.14 0.04 0.00 0.00 177.00 177.42 2k45 s VAL 66 N -1.63 1.55 -0.16 -0.36 -7.23 -1.26 -2.86 120.40 108.45 2k45 s VAL 66 Ca 0.40 -1.26 -0.08 0.00 -1.81 0.00 0.00 61.98 59.23 2k45 s VAL 66 Cb -0.12 -1.82 -0.23 0.00 0.56 0.00 0.00 36.38 34.76 2k45 s VAL 66 CO 0.22 -0.12 0.23 0.33 -0.31 0.00 0.00 175.10 175.45 2k45 n PHE 67 N 4.66 1.00 -2.79 2.82 -0.00 -0.87 -4.97 117.46 117.31 2k45 n PHE 67 Ca -0.11 0.24 -0.02 0.00 -0.00 0.00 0.00 57.45 57.56 2k45 n PHE 67 Cb 0.44 -1.13 0.00 0.00 -0.00 0.00 0.00 39.48 38.80 2k45 n PHE 67 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2k45 n ASN 68 N -3.61 -7.05 -4.08 -2.13 3.02 0.16 -5.03 115.26 96.54 2k45 n ASN 68 Ca -0.35 0.10 -0.32 0.00 -0.03 0.00 0.00 54.58 53.98 2k45 n ASN 68 Cb 0.98 -4.75 -0.16 0.00 -0.61 0.00 0.00 39.78 35.24 2k45 n ASN 68 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2k45 s GLU 69 N -2.81 2.67 -0.38 3.52 2.12 -0.96 -4.95 118.70 117.91 2k45 s GLU 69 Ca 0.07 -0.86 -0.27 0.00 0.36 0.00 0.00 54.97 54.27 2k45 s GLU 69 Cb -0.02 -2.52 0.02 0.00 0.26 0.00 0.00 34.13 31.87 2k45 s GLU 69 CO 0.65 -0.29 0.99 -1.14 -0.54 0.00 0.00 175.26 174.94 2k45 s GLN 70 N 1.31 3.85 -0.60 4.30 -0.44 -1.26 -4.01 119.66 122.80 2k45 s GLN 70 Ca 0.02 0.65 -0.21 0.00 -2.50 0.00 0.00 55.36 53.32 2k45 s GLN 70 Cb -0.14 -3.82 0.07 0.00 -1.64 0.00 0.00 33.01 27.49 2k45 s GLN 70 CO -0.11 -1.03 0.83 -0.06 0.50 0.00 0.00 175.29 175.42 2k45 s PHE 71 N 3.70 2.84 -0.11 1.67 0.08 -0.93 -4.88 117.98 120.35 2k45 s PHE 71 Ca 0.41 -0.60 -0.30 0.00 0.12 0.00 0.00 56.93 56.56 2k45 s PHE 71 Cb -0.11 -4.06 -0.03 0.00 -0.57 0.00 0.00 43.02 38.25 2k45 s PHE 71 CO 0.21 -1.41 1.33 0.99 -0.10 0.00 0.00 175.22 176.24 2k45 s THR 72 N 3.42 4.09 -0.50 0.64 2.01 -1.26 -3.30 115.64 120.74 2k45 s THR 72 Ca 0.19 1.36 -0.03 0.00 0.31 0.00 0.00 61.69 63.52 2k45 s THR 72 Cb -0.19 -3.88 0.13 0.00 0.01 0.00 0.00 72.50 68.58 2k45 s THR 72 CO 0.10 -0.08 0.30 -0.36 -0.69 0.00 0.00 174.62 173.89 2k45 s PHE 73 N 3.22 3.51 -1.45 4.92 0.40 -0.72 -4.85 117.98 123.02 2k45 s PHE 73 Ca 0.59 -2.51 -0.13 0.00 -0.60 0.00 0.00 56.93 54.28 2k45 s PHE 73 Cb -0.25 -3.23 0.05 0.00 0.51 0.00 0.00 43.02 40.10 2k45 s PHE 73 CO 0.20 -0.92 2.22 1.17 0.70 0.00 0.00 175.22 178.59 2k45 n LYS 74 N 4.17 2.98 -4.06 0.44 4.81 -1.26 0.54 118.16 125.78 2k45 n LYS 74 Ca 0.01 -2.69 -0.22 0.00 -0.87 0.00 0.00 58.31 54.54 2k45 n LYS 74 Cb 0.40 -3.23 -0.17 0.00 0.02 0.00 0.00 35.03 32.05 2k45 n LYS 74 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2k45 s VAL 75 N 2.82 0.62 0.85 3.15 0.11 -1.25 -4.87 120.40 121.84 2k45 s VAL 75 Ca 0.47 -0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 59.30 2k45 s VAL 75 Cb 0.14 -0.67 0.10 0.00 -1.53 0.00 0.00 36.38 34.42 2k45 s VAL 75 CO -0.08 0.27 1.11 -2.84 -3.33 0.00 0.00 175.10 170.23 2k45 s PRO 76 N 1.29 1.59 0.22 1.54 0.02 -1.21 -3.51 135.00 134.93 2k45 s PRO 76 Ca -0.05 1.26 -0.08 0.00 0.02 0.00 0.00 61.00 62.15 2k45 s PRO 76 Cb -0.14 -1.81 0.17 0.00 0.02 0.00 0.00 34.50 32.74 2k45 s PRO 76 CO -0.02 -2.14 1.81 0.10 -0.33 0.00 0.00 177.00 176.41 2k45 h TYR 77 N -1.50 1.18 -0.35 6.54 -0.00 -1.94 0.84 116.97 121.75 2k45 h TYR 77 Ca -0.45 -0.06 0.01 0.00 -0.00 0.00 0.00 58.73 58.23 2k45 h TYR 77 Cb 1.25 -0.37 -0.02 0.00 -0.00 0.00 0.00 36.73 37.60 2k45 h TYR 77 CO 0.52 0.86 0.23 1.03 -0.00 0.00 0.00 178.16 180.81 2k45 h SER 78 N 1.16 0.37 1.11 0.10 0.87 -2.01 -1.84 113.55 113.31 2k45 h SER 78 Ca 0.28 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 2k45 h SER 78 Cb 0.13 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2k45 h SER 78 CO -0.03 0.27 -0.92 -0.33 -0.53 0.00 0.00 176.83 175.29 2k45 h GLU 79 N 0.44 0.00 -0.32 2.24 5.08 -1.59 -3.35 114.58 117.08 2k45 h GLU 79 Ca 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2k45 h GLU 79 Cb -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2k45 h GLU 79 CO -0.03 0.08 0.08 1.25 -1.00 0.00 0.00 179.01 179.39 2k45 h LEU 80 N 0.00 0.42 -0.65 1.33 6.46 0.15 -2.37 115.31 120.66 2k45 h LEU 80 Ca -0.03 -0.05 0.13 0.00 -0.12 0.00 0.00 57.88 57.81 2k45 h LEU 80 Cb 1.13 -0.11 -0.12 0.00 -0.73 0.00 0.00 40.66 40.83 2k45 h LEU 80 CO 0.01 0.43 -0.11 1.23 -0.62 0.00 0.00 178.44 179.38 2k45 h GLY 81 N 0.69 0.53 2.00 3.75 0.00 -1.68 -0.05 103.07 108.31 2k45 h GLY 81 Ca 0.11 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 2k45 h GLY 81 CO -0.00 -0.24 -0.15 -1.33 0.00 0.00 0.00 176.54 174.81 2k45 h GLY 82 N 0.03 0.00 -2.92 4.60 0.00 -1.69 -3.36 103.07 99.73 2k45 h GLY 82 Ca 0.32 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.16 2k45 h GLY 82 CO -0.64 0.00 0.11 0.54 0.00 0.00 0.00 176.54 176.55 2k45 s LYS 83 N -3.72 4.03 -0.25 4.80 3.01 -0.04 -4.88 119.74 122.70 2k45 s LYS 83 Ca 0.00 0.70 0.01 0.00 -1.01 0.00 0.00 55.97 55.67 2k45 s LYS 83 Cb 0.10 -2.46 0.04 0.00 -1.01 0.00 0.00 37.83 34.51 2k45 s LYS 83 CO 0.60 0.17 -0.10 0.99 0.51 0.00 0.00 175.35 177.52 2k45 s THR 84 N -1.96 2.45 -0.47 2.17 2.01 -1.25 -1.23 115.64 117.36 2k45 s THR 84 Ca 0.54 -1.30 -0.25 0.00 0.31 0.00 0.00 61.69 60.99 2k45 s THR 84 Cb -0.11 -2.30 0.03 0.00 0.01 0.00 0.00 72.50 70.13 2k45 s THR 84 CO 0.17 0.14 0.91 -0.22 -0.69 0.00 0.00 174.62 174.93 2k45 s LEU 85 N 1.22 4.05 -0.10 4.42 2.96 -1.07 0.20 118.68 130.36 2k45 s LEU 85 Ca -0.03 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2k45 s LEU 85 Cb -0.18 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.36 2k45 s LEU 85 CO -0.06 -1.06 -0.09 0.68 -1.32 0.00 0.00 176.35 174.50 2k45 s VAL 86 N 3.73 3.45 -0.06 1.68 -7.23 -1.13 -1.92 120.40 118.92 2k45 s VAL 86 Ca 0.35 -0.55 -0.02 0.00 -1.81 0.00 0.00 61.98 59.95 2k45 s VAL 86 Cb -0.11 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.45 2k45 s VAL 86 CO 0.25 0.56 0.11 -0.32 -0.31 0.00 0.00 175.10 175.39 2k45 s MET 87 N -0.29 -0.01 -0.10 4.82 0.00 -0.49 -2.23 119.30 121.00 2k45 s MET 87 Ca 0.03 0.44 -0.02 0.00 0.00 0.00 0.00 55.69 56.13 2k45 s MET 87 Cb -0.13 -0.35 0.04 0.00 0.00 0.00 0.00 34.83 34.39 2k45 s MET 87 CO 0.03 -0.29 0.04 0.00 0.00 0.00 0.00 175.02 174.80 2k45 s ALA 88 N 2.01 0.53 -0.28 4.11 0.00 -0.58 0.76 121.76 128.32 2k45 s ALA 88 Ca 0.01 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.56 2k45 s ALA 88 Cb -0.12 -0.81 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 2k45 s ALA 88 CO -0.04 -0.69 1.33 0.14 0.00 0.00 0.00 175.76 176.49 2k45 s VAL 89 N 2.06 4.11 -0.10 0.00 -7.23 -0.15 0.56 120.40 119.65 2k45 s VAL 89 Ca 0.04 1.27 0.03 0.00 -1.81 0.00 0.00 61.98 61.51 2k45 s VAL 89 Cb -0.13 -4.09 -0.01 0.00 0.56 0.00 0.00 36.38 32.70 2k45 s VAL 89 CO -0.06 -0.42 -0.20 -0.47 -0.31 0.00 0.00 175.10 173.65 2k45 s TYR 90 N 4.35 2.63 -0.22 2.82 5.04 0.28 -1.36 117.35 130.87 2k45 s TYR 90 Ca 0.57 -0.80 -0.14 0.00 -2.44 0.00 0.00 57.07 54.26 2k45 s TYR 90 Cb -0.18 -1.73 -0.04 0.00 0.35 0.00 0.00 41.96 40.36 2k45 s TYR 90 CO 0.23 -0.27 0.32 0.34 -1.34 0.00 0.00 175.55 174.82 2k45 s ASP 91 N 0.18 6.31 -0.56 4.32 2.15 -1.20 -2.42 116.67 125.45 2k45 s ASP 91 Ca -0.12 0.35 -0.25 0.00 0.43 0.00 0.00 52.55 52.97 2k45 s ASP 91 Cb -0.16 -2.19 0.04 0.00 -0.30 0.00 0.00 42.92 40.31 2k45 s ASP 91 CO 0.06 -0.05 0.97 -0.36 -0.17 0.00 0.00 175.17 175.62 2k45 s PHE 92 N 1.37 2.77 -2.08 -5.34 0.08 -1.12 -4.00 117.98 109.64 2k45 s PHE 92 Ca 0.15 0.01 0.15 0.00 0.12 0.00 0.00 56.93 57.36 2k45 s PHE 92 Cb -0.15 -4.13 0.45 0.00 -0.57 0.00 0.00 43.02 38.63 2k45 s PHE 92 CO 0.07 -1.39 1.36 -0.40 -0.10 0.00 0.00 175.22 174.76 2k45 n ASP 93 N 7.58 2.04 0.00 1.36 5.68 -1.24 -4.24 116.55 127.72 2k45 n ASP 93 Ca 0.02 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 2k45 n ASP 93 Cb 0.48 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k45 n ARG 94 N 0.60 0.00 0.13 0.11 5.12 -1.26 -4.26 116.66 117.10 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 0.34 -4.24 0.00 0.00 -1.16 0.00 0.00 32.46 27.40 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 -3.12 -0.75 -1.55 7.35 -1.26 -5.15 117.46 110.97 2k45 n PHE 95 Ca 0.00 0.78 0.00 0.00 -0.76 0.00 0.00 57.45 57.47 2k45 n PHE 95 Cb 0.00 1.99 0.00 0.00 0.35 0.00 0.00 39.48 41.82 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 -3.12 0.00 -4.67 -2.13 3.41 -1.26 -4.95 113.62 100.89 2k45 n SER 96 Ca 0.00 -0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 57.69 2k45 n SER 96 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2k45 n SER 96 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2k45 s LYS 97 N -1.26 4.19 -0.21 4.33 -2.85 -1.26 -4.85 119.74 117.83 2k45 s LYS 97 Ca 0.00 2.30 -0.29 0.00 -1.00 0.00 0.00 55.97 56.98 2k45 s LYS 97 Cb 0.00 -3.81 -0.03 0.00 -2.06 0.00 0.00 37.83 31.93 2k45 s LYS 97 CO 0.00 -0.80 1.63 -1.01 0.10 0.00 0.00 175.35 175.27 2k45 s HIS 98 N 3.38 2.07 -0.14 1.78 3.76 -1.26 -4.89 115.29 119.99 2k45 s HIS 98 Ca 0.75 0.53 -0.21 0.00 -0.15 0.00 0.00 55.06 55.98 2k45 s HIS 98 Cb -0.37 -3.98 -0.03 0.00 1.11 0.00 0.00 32.58 29.30 2k45 s HIS 98 CO 0.32 -3.00 0.62 0.34 -0.85 0.00 0.00 174.74 172.17 2k45 s ASP 99 N 4.30 6.79 0.05 1.40 2.15 -1.26 -4.91 116.67 125.18 2k45 s ASP 99 Ca 0.72 0.95 -0.31 0.00 0.43 0.00 0.00 52.55 54.34 2k45 s ASP 99 Cb -0.25 -2.36 -0.07 0.00 -0.30 0.00 0.00 42.92 39.94 2k45 s ASP 99 CO 0.29 -0.16 1.50 -0.51 -0.17 0.00 0.00 175.17 176.12 2k45 s ILE 100 N 1.27 3.36 -0.05 4.11 2.07 -1.26 -3.21 121.20 127.49 2k45 s ILE 100 Ca 0.31 0.81 -0.24 0.00 -1.41 0.00 0.00 60.65 60.13 2k45 s ILE 100 Cb -0.16 -3.52 -0.25 0.00 0.13 0.00 0.00 42.46 38.65 2k45 s ILE 100 CO 0.13 0.01 0.99 0.16 -1.91 0.00 0.00 174.94 174.32 2k45 h ILE 101 N 4.76 1.54 -2.38 2.00 3.07 -1.84 -3.43 117.51 121.24 2k45 h ILE 101 Ca -0.40 -2.11 0.13 0.00 1.55 0.00 0.00 64.86 64.02 2k45 h ILE 101 Cb 1.19 2.87 -0.02 0.00 -0.27 0.00 0.00 36.82 40.59 2k45 h ILE 101 CO 0.91 0.58 0.47 0.61 -1.05 0.00 0.00 178.15 179.68 2k45 n GLY 102 N 1.21 0.74 3.68 0.16 0.00 -0.47 -4.15 105.19 106.37 2k45 n GLY 102 Ca -0.11 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.04 1.01 -0.10 1.61 -1.05 0.60 -0.98 118.70 117.75 2k45 s GLU 103 Ca 0.18 -0.52 -0.08 0.00 -0.15 0.00 0.00 54.97 54.40 2k45 s GLU 103 Cb -0.02 0.37 0.03 0.00 -0.44 0.00 0.00 34.13 34.06 2k45 s GLU 103 CO 0.05 -0.46 0.25 0.12 0.95 0.00 0.00 175.26 176.16 2k45 s PHE 104 N -3.14 -0.29 -0.11 4.83 5.36 0.23 -0.29 117.98 124.58 2k45 s PHE 104 Ca 0.11 0.69 -0.02 0.00 -0.96 0.00 0.00 56.93 56.75 2k45 s PHE 104 Cb -0.01 0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.79 2k45 s PHE 104 CO -0.01 -0.16 0.00 0.15 -1.46 0.00 0.00 175.22 173.75 2k45 s LYS 105 N 0.41 0.73 -0.21 10.12 1.02 -1.26 -1.40 119.74 129.15 2k45 s LYS 105 Ca -0.02 -0.07 -0.06 0.00 0.02 0.00 0.00 55.97 55.84 2k45 s LYS 105 Cb -0.04 -1.34 0.10 0.00 -0.52 0.00 0.00 37.83 36.03 2k45 s LYS 105 CO -0.02 -0.39 0.42 0.54 -0.92 0.00 0.00 175.35 174.99 2k45 s VAL 106 N 1.91 -0.66 0.29 3.17 0.11 -0.81 -5.04 120.40 119.37 2k45 s VAL 106 Ca 0.03 0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.89 2k45 s VAL 106 Cb -0.14 -0.72 -0.11 0.00 -1.53 0.00 0.00 36.38 33.88 2k45 s VAL 106 CO -0.06 0.02 1.61 -2.16 -3.33 0.00 0.00 175.10 171.18 2k45 s PRO 107 N 2.61 4.11 0.59 1.54 0.04 -1.26 -2.61 135.00 140.03 2k45 s PRO 107 Ca 0.02 2.60 0.30 0.00 0.04 0.00 0.00 61.00 63.95 2k45 s PRO 107 Cb -0.13 -3.02 1.79 0.00 0.04 0.00 0.00 34.50 33.18 2k45 s PRO 107 CO -0.14 -0.65 2.22 0.52 0.04 0.00 0.00 177.00 178.99 2k45 h MET 108 N 4.97 0.00 -0.30 4.56 2.86 -1.34 0.12 114.93 125.80 2k45 h MET 108 Ca -0.47 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.11 2k45 h MET 108 Cb 1.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 2k45 h MET 108 CO 0.81 0.00 -0.06 -2.95 1.06 0.00 0.00 176.91 175.76 2k45 h ASN 109 N 0.00 0.45 0.43 1.22 7.08 -1.70 -2.86 115.58 120.22 2k45 h ASN 109 Ca 0.02 -0.10 -0.23 0.00 -3.08 0.00 0.00 56.30 52.91 2k45 h ASN 109 Cb 0.12 -0.12 -0.04 0.00 -2.08 0.00 0.00 38.32 36.20 2k45 h ASN 109 CO -0.00 0.57 -1.76 0.35 -2.08 0.00 0.00 177.43 174.51 2k45 n THR 110 N -4.25 1.26 -3.23 6.14 -2.24 0.30 -4.79 114.28 107.47 2k45 n THR 110 Ca 0.01 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.62 2k45 n THR 110 Cb 0.28 -0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 67.72 2k45 n THR 110 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k45 s VAL 111 N -2.78 4.99 -0.44 2.28 0.11 -0.49 -5.04 120.40 119.03 2k45 s VAL 111 Ca -0.05 -0.04 -0.23 0.00 -2.93 0.00 0.00 61.98 58.73 2k45 s VAL 111 Cb 0.08 -4.07 0.02 0.00 -1.53 0.00 0.00 36.38 30.88 2k45 s VAL 111 CO 0.83 -0.43 0.77 -0.62 -3.33 0.00 0.00 175.10 172.32 2k45 s ASP 112 N 1.86 6.42 -0.67 3.54 2.15 -1.26 -4.64 116.67 124.06 2k45 s ASP 112 Ca 0.17 -0.08 -0.02 0.00 0.43 0.00 0.00 52.55 53.05 2k45 s ASP 112 Cb -0.16 -2.38 0.31 0.00 -0.30 0.00 0.00 42.92 40.40 2k45 s ASP 112 CO 0.15 -0.89 2.16 0.49 -0.17 0.00 0.00 175.17 176.92 2k45 n PHE 113 N 6.65 2.66 -0.01 -5.34 3.72 -1.26 -2.98 117.46 120.90 2k45 n PHE 113 Ca 0.02 -2.43 -0.13 0.00 -0.05 0.00 0.00 57.45 54.86 2k45 n PHE 113 Cb 0.48 -1.28 -0.14 0.00 -0.94 0.00 0.00 39.48 37.60 2k45 n PHE 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k45 n GLY 114 N -0.31 -0.84 0.00 1.37 0.00 -1.26 -3.56 105.19 100.59 2k45 n GLY 114 Ca 0.53 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2k45 n GLY 114 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k45 n HIS 115 N -3.19 0.00 -3.56 1.61 -0.00 -1.16 -4.81 115.22 104.10 2k45 n HIS 115 Ca -0.22 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.10 2k45 n HIS 115 Cb 1.05 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.93 2k45 n HIS 115 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2k45 s VAL 116 N 0.34 5.20 0.83 3.57 -7.23 -1.24 -4.82 120.40 117.04 2k45 s VAL 116 Ca 0.00 -0.15 -0.10 0.00 -1.81 0.00 0.00 61.98 59.92 2k45 s VAL 116 Cb 0.00 -3.62 0.09 0.00 0.56 0.00 0.00 36.38 33.42 2k45 s VAL 116 CO 0.00 0.06 1.11 0.28 -0.31 0.00 0.00 175.10 176.24 2k45 s THR 117 N 1.72 2.84 0.09 5.32 -1.32 -0.34 -1.15 115.64 122.79 2k45 s THR 117 Ca 0.06 0.27 -0.29 0.00 -1.21 0.00 0.00 61.69 60.52 2k45 s THR 117 Cb -0.17 -2.59 -0.05 0.00 -1.51 0.00 0.00 72.50 68.18 2k45 s THR 117 CO 0.10 -0.36 0.93 -1.83 -2.21 0.00 0.00 174.62 171.26 2k45 s GLU 118 N -4.81 4.65 0.08 7.08 -1.05 -1.26 -4.72 118.70 118.68 2k45 s GLU 118 Ca 0.63 1.39 -0.09 0.00 -0.15 0.00 0.00 54.97 56.75 2k45 s GLU 118 Cb -0.19 -3.38 0.00 0.00 -0.44 0.00 0.00 34.13 30.11 2k45 s GLU 118 CO 0.57 0.19 0.20 -1.21 0.95 0.00 0.00 175.26 175.96 2k45 s GLU 119 N 0.11 0.82 -0.49 -4.83 2.02 -0.96 -4.94 118.70 110.43 2k45 s GLU 119 Ca 0.46 -0.88 -0.21 0.00 0.02 0.00 0.00 54.97 54.36 2k45 s GLU 119 Cb -0.23 0.34 0.04 0.00 0.10 0.00 0.00 34.13 34.38 2k45 s GLU 119 CO 0.29 -0.26 0.74 -1.58 0.02 0.00 0.00 175.26 174.46 2k45 s TRP 120 N -3.60 2.97 0.07 1.61 0.23 -1.26 -3.39 118.94 115.58 2k45 s TRP 120 Ca 0.03 -0.19 0.07 0.00 -2.03 0.00 0.00 56.10 53.98 2k45 s TRP 120 Cb 0.04 -3.66 -0.04 0.00 0.03 0.00 0.00 33.47 29.84 2k45 s TRP 120 CO -0.10 -1.08 -0.13 0.50 0.96 0.00 0.00 176.95 177.11 2k45 s ARG 121 N 3.13 2.13 0.00 4.98 6.06 -1.19 -4.98 118.95 129.09 2k45 s ARG 121 Ca 0.23 -0.99 -0.16 0.00 -2.50 0.00 0.00 55.73 52.31 2k45 s ARG 121 Cb -0.15 -2.28 -0.06 0.00 0.06 0.00 0.00 34.95 32.52 2k45 s ARG 121 CO 0.17 0.53 0.46 -0.51 -2.50 0.00 0.00 175.30 173.45 2k45 s ASP 122 N -1.88 6.86 -0.15 -2.12 1.11 -1.26 0.35 116.67 119.58 2k45 s ASP 122 Ca 0.19 1.03 -0.21 0.00 0.18 0.00 0.00 52.55 53.73 2k45 s ASP 122 Cb -0.11 -2.29 -0.03 0.00 1.07 0.00 0.00 42.92 41.57 2k45 s ASP 122 CO 0.10 0.27 0.62 -0.76 1.18 0.00 0.00 175.17 176.58 2k45 s LEU 123 N -0.85 4.21 -0.10 1.23 1.02 -0.99 -4.71 118.68 118.50 2k45 s LEU 123 Ca 0.25 0.92 -0.06 0.00 0.02 0.00 0.00 54.13 55.27 2k45 s LEU 123 Cb -0.17 -2.91 -0.04 0.00 0.02 0.00 0.00 46.19 43.09 2k45 s LEU 123 CO 0.14 -0.19 0.13 0.00 0.02 0.00 0.00 176.35 176.46 2k45 s GLN 124 N 1.41 3.40 -0.15 1.70 -2.07 0.60 -3.86 119.66 120.68 2k45 s GLN 124 Ca 0.31 -0.19 -0.29 0.00 -1.82 0.00 0.00 55.36 53.37 2k45 s GLN 124 Cb -0.16 -3.14 -0.01 0.00 -1.09 0.00 0.00 33.01 28.61 2k45 s GLN 124 CO 0.12 0.76 1.18 0.45 -1.32 0.00 0.00 175.29 176.48 2k45 s SER 125 N -1.17 7.02 -0.08 12.60 0.15 -1.26 -0.30 113.70 130.67 2k45 s SER 125 Ca 0.17 1.64 -0.09 0.00 0.70 0.00 0.00 55.95 58.36 2k45 s SER 125 Cb -0.12 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 2k45 s SER 125 CO 0.06 -0.68 0.23 0.00 1.20 0.00 0.00 173.24 174.05 2k45 s ALA 126 N 3.06 3.82 -0.71 5.45 0.00 -1.26 -4.77 121.76 127.35 2k45 s ALA 126 Ca 0.52 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.99 2k45 s ALA 126 Cb -0.21 -2.11 0.18 0.00 0.00 0.00 0.00 23.12 20.98 2k45 s ALA 126 CO 0.15 0.58 0.53 -2.00 0.00 0.00 0.00 175.76 175.01 2k45 s GLU 127 N -1.08 2.66 0.00 0.00 -6.30 -1.26 -4.82 118.70 107.90 2k45 s GLU 127 Ca 0.18 -2.99 0.00 0.00 -2.50 0.00 0.00 54.97 49.66 2k45 s GLU 127 Cb -0.14 -3.65 0.00 0.00 0.00 0.00 0.00 34.13 30.34 2k45 s GLU 127 CO 0.08 -1.22 0.41 1.17 0.02 0.00 0.00 175.26 175.72