#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg2 s SER 2 N 0.00 -0.90 -0.17 1.61 0.15 -1.26 -5.12 113.70 108.01 2kg2 s SER 2 Ca 0.00 1.15 -0.04 0.00 0.70 0.00 0.00 55.95 57.76 2kg2 s SER 2 Cb 0.00 1.99 0.08 0.00 -1.71 0.00 0.00 66.02 66.38 2kg2 s SER 2 CO 0.00 -0.17 0.23 -0.47 1.20 0.00 0.00 173.24 174.02 2kg2 s TYR 3 N 2.71 -0.31 -0.30 3.44 6.14 -1.26 -5.12 117.35 122.65 2kg2 s TYR 3 Ca -0.02 0.49 -0.08 0.00 0.64 0.00 0.00 57.07 58.09 2kg2 s TYR 3 Cb -0.10 -0.25 -0.00 0.00 0.42 0.00 0.00 41.96 42.03 2kg2 s TYR 3 CO -0.18 -0.49 0.12 0.42 0.64 0.00 0.00 175.55 176.05 2kg2 s ILE 4 N 2.35 4.32 0.56 3.14 1.01 -1.26 -5.09 121.20 126.22 2kg2 s ILE 4 Ca 0.05 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 2kg2 s ILE 4 Cb -0.14 -3.20 0.13 0.00 0.01 0.00 0.00 42.46 39.26 2kg2 s ILE 4 CO -0.10 0.09 0.76 -2.65 0.00 0.00 0.00 174.94 173.03 2kg2 n PRO 5 N 4.93 -0.69 -2.87 2.79 -0.02 -1.26 -5.02 135.00 132.86 2kg2 n PRO 5 Ca -0.14 -1.22 -0.26 0.00 -2.02 0.00 0.00 63.50 59.86 2kg2 n PRO 5 Cb 0.49 -0.77 -0.03 0.00 -0.02 0.00 0.00 33.50 33.17 2kg2 n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kg2 n GLY 6 N 0.01 5.48 3.66 -1.23 0.00 -1.26 -5.04 105.19 106.80 2kg2 n GLY 6 Ca 0.10 -2.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.01 2kg2 n GLY 6 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kg2 s GLN 7 N -3.41 4.24 0.00 1.61 -0.44 -1.26 -5.00 119.66 115.40 2kg2 s GLN 7 Ca 0.48 1.21 0.00 0.00 -2.50 0.00 0.00 55.36 54.54 2kg2 s GLN 7 Cb 0.31 -3.64 0.00 0.00 -1.64 0.00 0.00 33.01 28.04 2kg2 s GLN 7 CO -0.14 -0.57 0.01 -0.35 0.50 0.00 0.00 175.29 174.74 2kg2 n PRO 8 N 6.13 0.00 0.00 1.67 -0.04 -1.26 -5.04 135.00 136.45 2kg2 n PRO 8 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2kg2 n PRO 8 Cb 0.47 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 2kg2 n PRO 8 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2kg2 n VAL 9 N -0.08 0.00 1.02 0.52 0.24 -1.26 -4.94 118.33 113.83 2kg2 n VAL 9 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.41 2kg2 n VAL 9 Cb 0.00 -0.26 0.01 0.00 -1.47 0.00 0.00 33.84 32.12 2kg2 n VAL 9 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2kg2 n THR 10 N -2.30 0.00 -4.15 3.34 5.66 -1.26 -4.91 114.28 110.67 2kg2 n THR 10 Ca 0.00 -0.11 -0.34 0.00 -3.05 0.00 0.00 64.05 60.55 2kg2 n THR 10 Cb 0.00 0.97 -0.08 0.00 -1.55 0.00 0.00 70.33 69.67 2kg2 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kg2 s ALA 11 N -2.76 3.54 -0.26 1.79 0.00 -1.26 -4.77 121.76 118.03 2kg2 s ALA 11 Ca 0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 2kg2 s ALA 11 Cb 0.17 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.71 2kg2 s ALA 11 CO 0.71 0.65 -0.01 0.08 0.00 0.00 0.00 175.76 177.20 2kg2 s VAL 12 N -1.09 3.35 -0.13 0.00 1.01 0.19 -4.62 120.40 119.11 2kg2 s VAL 12 Ca 0.19 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 2kg2 s VAL 12 Cb -0.12 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 2kg2 s VAL 12 CO 0.09 0.18 0.20 0.54 0.00 0.00 0.00 175.10 176.12 2kg2 s VAL 13 N 1.41 5.38 0.04 2.92 0.11 -1.26 0.03 120.40 129.03 2kg2 s VAL 13 Ca 0.02 0.35 -0.12 0.00 -2.93 0.00 0.00 61.98 59.30 2kg2 s VAL 13 Cb -0.17 -3.51 0.02 0.00 -1.53 0.00 0.00 36.38 31.19 2kg2 s VAL 13 CO -0.02 0.52 0.27 0.00 -3.33 0.00 0.00 175.10 172.54 2kg2 s GLN 14 N -0.36 0.77 0.16 1.54 1.03 0.06 -4.99 119.66 117.87 2kg2 s GLN 14 Ca 0.15 -0.54 -0.06 0.00 0.04 0.00 0.00 55.36 54.95 2kg2 s GLN 14 Cb -0.13 0.33 -0.06 0.00 0.03 0.00 0.00 33.01 33.19 2kg2 s GLN 14 CO 0.04 -0.24 0.41 -0.98 -2.54 0.00 0.00 175.29 171.98 2kg2 s ARG 15 N -2.53 3.65 0.14 9.60 1.04 -1.26 -0.72 118.95 128.87 2kg2 s ARG 15 Ca -0.05 -0.03 0.02 0.00 -1.04 0.00 0.00 55.73 54.63 2kg2 s ARG 15 Cb -0.01 -2.81 -0.04 0.00 -2.04 0.00 0.00 34.95 30.05 2kg2 s ARG 15 CO -0.03 0.43 -0.02 0.08 -0.04 0.00 0.00 175.30 175.72 2kg2 s VAL 16 N -1.70 0.64 -0.25 4.99 1.01 0.15 -4.93 120.40 120.31 2kg2 s VAL 16 Ca 0.42 -1.96 -0.04 0.00 0.00 0.00 0.00 61.98 60.40 2kg2 s VAL 16 Cb -0.12 -1.95 0.13 0.00 0.00 0.00 0.00 36.38 34.44 2kg2 s VAL 16 CO 0.24 -0.62 0.46 -0.70 0.00 0.00 0.00 175.10 174.48 2kg2 s GLU 17 N -3.90 0.41 -0.13 2.72 2.12 -1.26 -0.69 118.70 117.97 2kg2 s GLU 17 Ca 0.19 0.89 -0.11 0.00 0.36 0.00 0.00 54.97 56.30 2kg2 s GLU 17 Cb 0.06 0.13 -0.05 0.00 0.26 0.00 0.00 34.13 34.53 2kg2 s GLU 17 CO 0.01 -0.47 0.24 0.42 -0.54 0.00 0.00 175.26 174.92 2kg2 s ILE 18 N 2.67 5.33 -0.14 -3.70 1.09 -0.84 -4.61 121.20 121.00 2kg2 s ILE 18 Ca 0.08 0.44 -0.05 0.00 -1.10 0.00 0.00 60.65 60.02 2kg2 s ILE 18 Cb -0.14 -3.55 -0.04 0.00 -1.06 0.00 0.00 42.46 37.67 2kg2 s ILE 18 CO -0.16 0.49 0.04 -1.00 -0.10 0.00 0.00 174.94 174.21 2kg2 s HIS 19 N -0.23 3.23 -0.20 3.97 3.76 -1.26 -1.28 115.29 123.27 2kg2 s HIS 19 Ca 0.16 0.11 -0.19 0.00 -0.15 0.00 0.00 55.06 54.99 2kg2 s HIS 19 Cb -0.13 -1.95 -0.08 0.00 1.11 0.00 0.00 32.58 31.53 2kg2 s HIS 19 CO 0.05 0.30 0.69 0.36 -0.85 0.00 0.00 174.74 175.28 2kg2 n LYS 20 N 2.91 0.00 -5.09 1.40 2.85 -0.05 -4.74 118.16 115.44 2kg2 n LYS 20 Ca -0.18 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.78 2kg2 n LYS 20 Cb 0.53 -0.61 -0.17 0.00 -0.65 0.00 0.00 35.03 34.13 2kg2 n LYS 20 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2kg2 s LEU 21 N 1.42 2.00 -0.20 -5.58 2.96 -1.15 -5.04 118.68 113.08 2kg2 s LEU 21 Ca 0.44 -0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 53.72 2kg2 s LEU 21 Cb -0.61 -1.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 2kg2 s LEU 21 CO 0.32 0.14 0.23 -0.13 -1.32 0.00 0.00 176.35 175.60 2kg2 s ARG 22 N 0.36 4.18 -0.46 1.98 0.52 -1.26 -0.45 118.95 123.82 2kg2 s ARG 22 Ca -0.17 -0.06 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 2kg2 s ARG 22 Cb -0.17 -3.47 0.12 0.00 0.52 0.00 0.00 34.95 31.95 2kg2 s ARG 22 CO 0.08 0.16 0.20 -0.65 0.02 0.00 0.00 175.30 175.10 2kg2 s GLN 23 N 0.75 1.77 6.37 3.54 -0.21 0.15 -4.94 119.66 127.08 2kg2 s GLN 23 Ca 0.12 -2.35 0.00 0.00 0.02 0.00 0.00 55.36 53.16 2kg2 s GLN 23 Cb -0.13 -3.19 0.00 0.00 1.00 0.00 0.00 33.01 30.70 2kg2 s GLN 23 CO 0.03 -1.07 0.00 0.41 -2.12 0.00 0.00 175.29 172.55 2kg2 n GLY 24 N 3.48 1.79 0.88 3.09 0.00 -1.26 -2.17 105.19 111.00 2kg2 n GLY 24 Ca 0.05 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.93 2kg2 n GLY 24 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kg2 n GLU 25 N 2.25 3.03 -4.41 1.61 1.02 -1.26 -4.97 120.64 117.91 2kg2 n GLU 25 Ca 0.00 -2.57 -0.21 0.00 -0.02 0.00 0.00 57.16 54.36 2kg2 n GLU 25 Cb 0.00 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 29.66 2kg2 n GLU 25 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2kg2 s ASN 26 N -1.49 2.73 -0.26 1.62 0.01 -0.92 -5.11 114.94 111.52 2kg2 s ASN 26 Ca 0.36 -1.16 0.00 0.00 -0.71 0.00 0.00 52.86 51.36 2kg2 s ASN 26 Cb 0.26 -0.16 0.04 0.00 0.41 0.00 0.00 41.25 41.81 2kg2 s ASN 26 CO 0.13 -0.31 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.10 2kg2 s LEU 27 N -3.42 3.32 0.19 0.60 1.98 -1.26 -0.67 118.68 119.42 2kg2 s LEU 27 Ca 0.28 -1.14 0.06 0.00 -2.89 0.00 0.00 54.13 50.44 2kg2 s LEU 27 Cb 0.03 -1.61 -0.05 0.00 0.66 0.00 0.00 46.19 45.22 2kg2 s LEU 27 CO 0.11 -0.17 -0.11 -0.63 -1.89 0.00 0.00 176.35 173.66 2kg2 s ILE 28 N 1.22 1.45 -2.31 6.68 1.01 0.41 -4.36 121.20 125.29 2kg2 s ILE 28 Ca -0.04 -2.13 0.29 0.00 0.00 0.00 0.00 60.65 58.76 2kg2 s ILE 28 Cb -0.18 -2.02 0.66 0.00 0.01 0.00 0.00 42.46 40.93 2kg2 s ILE 28 CO -0.05 -0.61 1.89 0.18 0.00 0.00 0.00 174.94 176.34 2kg2 n LEU 29 N -0.32 0.98 0.00 2.97 4.77 -1.26 -2.94 117.00 121.21 2kg2 n LEU 29 Ca -0.08 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 2kg2 n LEU 29 Cb 0.61 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2kg2 n LEU 29 CO 0.34 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2kg2 n GLY 30 N 1.10 2.53 3.99 -0.72 0.00 -1.26 -3.72 105.19 107.12 2kg2 n GLY 30 Ca 0.20 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 2kg2 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kg2 s PHE 31 N -0.99 2.60 0.29 1.61 -0.71 -1.26 -2.56 117.98 116.95 2kg2 s PHE 31 Ca 0.00 -0.22 0.03 0.00 -1.04 0.00 0.00 56.93 55.70 2kg2 s PHE 31 Cb 0.00 -2.61 -0.06 0.00 -1.21 0.00 0.00 43.02 39.14 2kg2 s PHE 31 CO 0.00 -0.84 0.06 -1.12 -1.34 0.00 0.00 175.22 171.99 2kg2 s SER 32 N -4.45 1.89 0.26 1.98 0.01 0.19 -4.93 113.70 108.64 2kg2 s SER 32 Ca 0.58 -1.36 0.05 0.00 1.31 0.00 0.00 55.95 56.53 2kg2 s SER 32 Cb -0.09 0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 2kg2 s SER 32 CO 0.37 -0.64 -0.03 0.27 0.41 0.00 0.00 173.24 173.63 2kg2 s ILE 33 N -3.47 1.32 -0.13 1.44 -4.36 -1.26 -1.54 121.20 113.20 2kg2 s ILE 33 Ca 0.36 -2.07 0.10 0.00 -0.26 0.00 0.00 60.65 58.78 2kg2 s ILE 33 Cb 0.08 -2.41 -0.15 0.00 1.25 0.00 0.00 42.46 41.24 2kg2 s ILE 33 CO 0.14 -0.31 0.02 0.61 0.24 0.00 0.00 174.94 175.64 2kg2 n GLY 34 N -0.50 -0.57 0.00 6.27 0.00 0.20 -4.58 105.19 106.01 2kg2 n GLY 34 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2kg2 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kg2 n GLY 35 N 2.29 3.58 0.00 -0.02 0.00 -1.26 -4.93 105.19 104.84 2kg2 n GLY 35 Ca -0.22 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2kg2 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kg2 n GLY 36 N -1.21 0.53 0.27 -0.02 0.00 -1.23 -4.19 105.19 99.34 2kg2 n GLY 36 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2kg2 n GLY 36 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2kg2 h ILE 37 N 0.00 0.32 0.00 -0.61 -2.65 -1.83 -1.39 117.51 111.35 2kg2 h ILE 37 Ca 0.00 -0.55 0.00 0.00 1.03 0.00 0.00 64.86 65.34 2kg2 h ILE 37 Cb 0.00 1.41 0.00 0.00 -2.05 0.00 0.00 36.82 36.18 2kg2 h ILE 37 CO 0.00 0.09 0.00 -0.78 0.03 0.00 0.00 178.15 177.49 2kg2 h ASP 38 N 0.00 0.00 -3.21 2.16 3.58 -1.91 -3.42 116.42 113.62 2kg2 h ASP 38 Ca -0.00 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.80 2kg2 h ASP 38 Cb 0.40 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.35 2kg2 h ASP 38 CO 0.01 0.00 -0.61 -1.10 -2.88 0.00 0.00 179.24 174.67 2kg2 s GLN 39 N -3.51 2.90 -0.18 0.28 -1.52 -0.52 -5.05 119.66 112.06 2kg2 s GLN 39 Ca 0.03 -0.61 -0.16 0.00 -1.95 0.00 0.00 55.36 52.67 2kg2 s GLN 39 Cb 0.09 -2.75 -0.04 0.00 -0.22 0.00 0.00 33.01 30.09 2kg2 s GLN 39 CO 0.50 0.61 0.40 0.34 -0.25 0.00 0.00 175.29 176.88 2kg2 s ASP 40 N -1.95 6.49 0.66 5.90 -1.08 -1.26 -4.85 116.67 120.57 2kg2 s ASP 40 Ca 0.24 0.58 0.38 0.00 -0.52 0.00 0.00 52.55 53.23 2kg2 s ASP 40 Cb -0.12 -2.23 2.09 0.00 -1.46 0.00 0.00 42.92 41.20 2kg2 s ASP 40 CO 0.16 -0.03 2.21 1.55 0.52 0.00 0.00 175.17 179.58 2kg2 h PRO 41 N 7.11 0.00 0.00 4.34 0.13 -1.88 0.12 132.00 141.81 2kg2 h PRO 41 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2kg2 h PRO 41 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kg2 h PRO 41 CO 0.73 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 179.27 2kg2 h SER 42 N 0.00 0.00 0.00 1.44 0.02 -1.89 -3.17 113.55 109.95 2kg2 h SER 42 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2kg2 h SER 42 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2kg2 h SER 42 CO -0.00 0.00 -0.30 0.00 -1.14 0.00 0.00 176.83 175.39 2kg2 n GLN 43 N -2.47 0.52 -4.13 3.45 10.64 0.34 -5.04 117.38 120.69 2kg2 n GLN 43 Ca 0.04 -1.60 -0.33 0.00 -1.83 0.00 0.00 57.00 53.27 2kg2 n GLN 43 Cb 0.39 -0.89 -0.07 0.00 -0.86 0.00 0.00 30.24 28.81 2kg2 n GLN 43 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2kg2 s ASN 44 N -1.71 5.65 -0.05 2.61 0.01 -0.72 -4.88 114.94 115.84 2kg2 s ASN 44 Ca 0.12 0.16 -0.25 0.00 -0.71 0.00 0.00 52.86 52.19 2kg2 s ASN 44 Cb 0.11 -1.63 -0.19 0.00 0.41 0.00 0.00 41.25 39.94 2kg2 s ASN 44 CO 0.01 0.30 1.04 1.55 -1.51 0.00 0.00 177.10 178.49 2kg2 h PRO 45 N 4.31 -0.09 -0.27 -0.60 0.13 -1.91 -3.35 132.00 130.22 2kg2 h PRO 45 Ca -0.50 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 2kg2 h PRO 45 Cb 1.19 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2kg2 h PRO 45 CO 0.61 0.46 -0.01 1.19 -0.23 0.00 0.00 178.00 180.02 2kg2 n PHE 46 N -4.85 0.93 0.09 1.56 3.72 -1.26 -4.17 117.46 113.47 2kg2 n PHE 46 Ca -0.08 -1.08 0.01 0.00 -0.05 0.00 0.00 57.45 56.25 2kg2 n PHE 46 Cb 0.29 -0.35 0.02 0.00 -0.94 0.00 0.00 39.48 38.50 2kg2 n PHE 46 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2kg2 n SER 47 N -0.75 1.45 -0.54 4.37 2.88 -1.26 -4.67 113.62 115.10 2kg2 n SER 47 Ca 0.24 -1.30 0.02 0.00 -1.33 0.00 0.00 58.87 56.50 2kg2 n SER 47 Cb 0.92 -0.01 0.09 0.00 -0.75 0.00 0.00 64.21 64.45 2kg2 n SER 47 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2kg2 n GLU 48 N 0.08 1.64 -0.13 -1.46 0.28 -1.25 -3.68 120.64 116.12 2kg2 n GLU 48 Ca 0.02 -0.70 0.00 0.00 -0.16 0.00 0.00 57.16 56.32 2kg2 n GLU 48 Cb 0.12 -1.37 0.27 0.00 1.43 0.00 0.00 31.44 31.89 2kg2 n GLU 48 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2kg2 h ASP 49 N 1.02 0.72 0.00 -1.84 3.32 -1.84 -3.18 116.42 114.61 2kg2 h ASP 49 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2kg2 h ASP 49 Cb 0.50 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2kg2 h ASP 49 CO 0.05 0.60 0.00 0.29 -1.72 0.00 0.00 179.24 178.46 2kg2 n LYS 50 N -4.37 0.00 -0.73 3.56 4.01 -1.24 -3.68 118.16 115.71 2kg2 n LYS 50 Ca 0.05 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.73 2kg2 n LYS 50 Cb 0.12 0.00 0.13 0.00 -0.51 0.00 0.00 35.03 34.77 2kg2 n LYS 50 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2kg2 n THR 51 N 0.00 2.27 -2.82 -0.18 -2.24 -1.26 -4.84 114.28 105.20 2kg2 n THR 51 Ca 0.00 -1.13 -0.43 0.00 -2.27 0.00 0.00 64.05 60.22 2kg2 n THR 51 Cb 0.00 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 67.56 2kg2 n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kg2 s ASP 52 N -0.42 6.22 0.01 3.42 2.15 -1.25 -4.84 116.67 121.95 2kg2 s ASP 52 Ca 0.35 -0.75 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2kg2 s ASP 52 Cb 0.29 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 2kg2 s ASP 52 CO 0.07 -1.42 0.00 0.29 -0.17 0.00 0.00 175.17 173.94 2kg2 n LYS 53 N 7.81 1.13 0.00 4.34 5.02 -1.26 -4.59 118.16 130.61 2kg2 n LYS 53 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2kg2 n LYS 53 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 2kg2 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kg2 n GLY 54 N 5.00 3.13 3.69 0.72 0.00 -1.26 -4.95 105.19 111.52 2kg2 n GLY 54 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 2kg2 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kg2 s ILE 55 N -2.63 4.59 0.17 -0.61 -1.09 -1.25 -3.50 121.20 116.89 2kg2 s ILE 55 Ca 0.00 1.87 0.06 0.00 -2.23 0.00 0.00 60.65 60.35 2kg2 s ILE 55 Cb 0.00 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.63 2kg2 s ILE 55 CO 0.00 0.03 -0.12 -0.72 -1.23 0.00 0.00 174.94 172.90 2kg2 s TYR 56 N 1.86 1.45 -0.10 3.97 -0.85 -1.26 0.03 117.35 122.45 2kg2 s TYR 56 Ca 0.52 -0.68 -0.22 0.00 -0.52 0.00 0.00 57.07 56.16 2kg2 s TYR 56 Cb -0.21 -0.70 -0.03 0.00 0.38 0.00 0.00 41.96 41.39 2kg2 s TYR 56 CO 0.21 0.20 0.67 0.08 -1.52 0.00 0.00 175.55 175.19 2kg2 s VAL 57 N -3.18 5.05 -0.03 -3.49 1.01 -0.51 -0.63 120.40 118.62 2kg2 s VAL 57 Ca 0.19 1.36 0.17 0.00 0.00 0.00 0.00 61.98 63.69 2kg2 s VAL 57 Cb 0.01 -4.00 -0.26 0.00 0.00 0.00 0.00 36.38 32.13 2kg2 s VAL 57 CO 0.03 0.22 0.35 0.35 0.00 0.00 0.00 175.10 176.05 2kg2 n THR 58 N 3.98 0.05 -3.77 3.92 -2.24 -0.59 -0.71 114.28 114.91 2kg2 n THR 58 Ca -0.02 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 2kg2 n THR 58 Cb 0.51 0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.70 2kg2 n THR 58 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2kg2 s ARG 59 N -3.12 0.23 0.09 -0.78 3.00 -1.22 -4.89 118.95 112.25 2kg2 s ARG 59 Ca -0.06 0.39 0.09 0.00 -1.00 0.00 0.00 55.73 55.14 2kg2 s ARG 59 Cb 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 34.95 35.04 2kg2 s ARG 59 CO 0.69 -0.08 -0.22 0.08 0.00 0.00 0.00 175.30 175.76 2kg2 s VAL 60 N 0.58 1.84 0.01 7.11 1.01 -1.26 0.55 120.40 130.24 2kg2 s VAL 60 Ca -0.04 -1.48 -0.36 0.00 0.00 0.00 0.00 61.98 60.11 2kg2 s VAL 60 Cb -0.05 -1.63 -0.15 0.00 0.00 0.00 0.00 36.38 34.55 2kg2 s VAL 60 CO -0.03 0.08 1.59 -1.54 0.00 0.00 0.00 175.10 175.20 2kg2 n SER 61 N 1.32 2.59 0.17 3.32 3.41 -1.06 -4.84 113.62 118.53 2kg2 n SER 61 Ca -0.18 1.07 0.03 0.00 -0.26 0.00 0.00 58.87 59.52 2kg2 n SER 61 Cb 0.53 -1.29 0.29 0.00 -0.26 0.00 0.00 64.21 63.47 2kg2 n SER 61 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2kg2 h GLU 62 N 6.38 0.00 -0.89 4.33 9.09 -1.98 -3.35 114.58 128.16 2kg2 h GLU 62 Ca -0.47 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 58.60 2kg2 h GLU 62 Cb 1.29 0.00 -0.29 0.00 -1.65 0.00 0.00 28.75 28.10 2kg2 h GLU 62 CO 0.88 0.46 -0.86 0.41 0.05 0.00 0.00 179.01 179.95 2kg2 n GLY 63 N 0.11 1.93 0.00 1.06 0.00 -1.26 -4.96 105.19 102.07 2kg2 n GLY 63 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2kg2 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kg2 n GLY 64 N 0.05 4.11 0.21 -0.02 0.00 -1.26 -5.05 105.19 103.22 2kg2 n GLY 64 Ca 0.11 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.49 2kg2 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kg2 h PRO 65 N 0.00 0.08 0.35 1.61 0.13 -1.85 -1.77 132.00 130.55 2kg2 h PRO 65 Ca 0.00 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 2kg2 h PRO 65 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kg2 h PRO 65 CO 0.00 0.33 -0.17 0.00 -0.23 0.00 0.00 178.00 177.94 2kg2 h ALA 66 N 1.67 -0.47 -0.02 -0.56 0.00 -1.88 0.19 119.26 118.18 2kg2 h ALA 66 Ca 0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2kg2 h ALA 66 Cb 0.50 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2kg2 h ALA 66 CO 0.04 -0.71 -0.49 1.05 0.00 0.00 0.00 179.25 179.13 2kg2 h GLU 67 N -0.57 0.06 -0.41 0.00 -0.00 -1.63 0.28 114.58 112.31 2kg2 h GLU 67 Ca -0.05 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.36 59.27 2kg2 h GLU 67 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.15 2kg2 h GLU 67 CO 0.08 0.53 0.20 0.82 -0.00 0.00 0.00 179.01 180.64 2kg2 h ILE 68 N 0.05 1.17 -0.04 -1.06 1.08 -1.08 -3.22 117.51 114.41 2kg2 h ILE 68 Ca -0.00 -0.48 -0.04 0.00 -0.39 0.00 0.00 64.86 63.95 2kg2 h ILE 68 Cb 0.88 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2kg2 h ILE 68 CO 0.07 0.18 -0.12 0.00 -0.69 0.00 0.00 178.15 177.59 2kg2 h ALA 69 N 1.05 0.07 0.00 1.87 0.00 -0.38 -3.48 119.26 118.40 2kg2 h ALA 69 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kg2 h ALA 69 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kg2 h ALA 69 CO -0.02 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2kg2 n GLY 70 N 0.55 0.10 3.68 0.00 0.00 -0.12 -4.81 105.19 104.59 2kg2 n GLY 70 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2kg2 n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kg2 s LEU 71 N 0.00 4.23 0.24 0.99 2.96 0.80 -4.99 118.68 122.92 2kg2 s LEU 71 Ca 0.00 1.32 0.11 0.00 -0.22 0.00 0.00 54.13 55.33 2kg2 s LEU 71 Cb 0.00 -3.34 -0.05 0.00 0.50 0.00 0.00 46.19 43.31 2kg2 s LEU 71 CO 0.00 -0.37 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.44 2kg2 s GLN 72 N 1.85 1.92 0.23 1.98 -1.52 -1.26 -4.11 119.66 118.75 2kg2 s GLN 72 Ca 0.42 -1.53 -0.30 0.00 -1.95 0.00 0.00 55.36 52.00 2kg2 s GLN 72 Cb -0.18 -1.97 -0.09 0.00 -0.22 0.00 0.00 33.01 30.55 2kg2 s GLN 72 CO 0.16 0.37 1.37 0.42 -0.25 0.00 0.00 175.29 177.36 2kg2 s ILE 73 N -2.18 2.91 0.00 1.08 1.01 -1.26 -2.71 121.20 120.05 2kg2 s ILE 73 Ca 0.28 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.70 2kg2 s ILE 73 Cb -0.07 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.92 2kg2 s ILE 73 CO 0.16 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.83 2kg2 n GLY 74 N 2.21 0.44 3.63 6.18 0.00 0.11 -5.01 105.19 112.75 2kg2 n GLY 74 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2kg2 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kg2 s ASP 75 N -1.91 6.61 -0.23 1.61 1.01 -1.10 -4.80 116.67 117.86 2kg2 s ASP 75 Ca 0.00 1.24 -0.19 0.00 0.71 0.00 0.00 52.55 54.31 2kg2 s ASP 75 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2kg2 s ASP 75 CO 0.00 -1.13 0.53 -1.59 0.21 0.00 0.00 175.17 173.20 2kg2 s LYS 76 N 4.28 4.14 0.01 8.23 -2.85 -1.09 -1.42 119.74 131.05 2kg2 s LYS 76 Ca 0.58 0.40 -0.23 0.00 -1.00 0.00 0.00 55.97 55.73 2kg2 s LYS 76 Cb -0.18 -3.60 -0.05 0.00 -2.06 0.00 0.00 37.83 31.94 2kg2 s LYS 76 CO 0.24 -0.25 0.69 0.42 0.10 0.00 0.00 175.35 176.56 2kg2 s ILE 77 N 1.96 4.84 -0.16 3.79 1.09 0.11 -0.34 121.20 132.49 2kg2 s ILE 77 Ca 0.23 1.46 0.06 0.00 -1.10 0.00 0.00 60.65 61.30 2kg2 s ILE 77 Cb -0.15 -4.04 -0.07 0.00 -1.06 0.00 0.00 42.46 37.14 2kg2 s ILE 77 CO 0.09 0.37 0.19 0.23 -0.10 0.00 0.00 174.94 175.72 2kg2 n MET 78 N 2.90 3.15 -3.72 2.79 2.81 0.08 -3.86 117.12 121.26 2kg2 n MET 78 Ca -0.04 -0.02 -0.12 0.00 -1.81 0.00 0.00 57.70 55.71 2kg2 n MET 78 Cb 0.51 -0.91 -0.13 0.00 -0.71 0.00 0.00 33.22 31.98 2kg2 n MET 78 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2kg2 s GLN 79 N -1.87 0.22 -0.12 0.03 2.00 -1.12 -0.61 119.66 118.20 2kg2 s GLN 79 Ca 0.00 0.56 -0.02 0.00 -2.00 0.00 0.00 55.36 53.91 2kg2 s GLN 79 Cb 0.04 -0.11 0.04 0.00 0.80 0.00 0.00 33.01 33.78 2kg2 s GLN 79 CO 0.23 -0.17 0.02 0.08 -0.50 0.00 0.00 175.29 174.95 2kg2 s VAL 80 N 1.31 0.41 -1.10 1.34 1.01 -1.26 -0.17 120.40 121.94 2kg2 s VAL 80 Ca -0.09 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 2kg2 s VAL 80 Cb -0.10 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.61 2kg2 s VAL 80 CO -0.09 0.07 0.55 -3.20 0.00 0.00 0.00 175.10 172.43 2kg2 n ASN 81 N 5.12 -3.22 0.00 3.32 2.85 0.18 0.04 115.26 123.54 2kg2 n ASN 81 Ca -0.08 -1.16 0.00 0.00 -0.11 0.00 0.00 54.58 53.23 2kg2 n ASN 81 Cb 0.49 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 40.12 2kg2 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kg2 n GLY 82 N -2.01 0.31 0.00 8.20 0.00 -1.26 -4.90 105.19 105.52 2kg2 n GLY 82 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2kg2 n GLY 82 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kg2 n TRP 83 N -2.20 0.00 0.00 1.61 4.27 0.11 -5.12 117.44 116.11 2kg2 n TRP 83 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2kg2 n TRP 83 Cb 0.14 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.09 2kg2 n TRP 83 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 2kg2 n ASP 84 N 0.00 0.00 -0.17 -0.67 -0.08 -1.26 -4.80 116.55 109.57 2kg2 n ASP 84 Ca 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 2kg2 n ASP 84 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 2kg2 n ASP 84 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 2kg2 n MET 85 N 0.00 1.33 0.23 -0.67 1.56 0.22 -4.62 117.12 115.17 2kg2 n MET 85 Ca 0.00 -0.61 0.07 0.00 -0.27 0.00 0.00 57.70 56.89 2kg2 n MET 85 Cb 0.00 -1.01 0.54 0.00 2.15 0.00 0.00 33.22 34.90 2kg2 n MET 85 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kg2 h THR 86 N 0.83 0.98 -2.01 1.12 1.03 -1.40 -3.31 112.91 110.13 2kg2 h THR 86 Ca 0.00 -0.73 -0.41 0.00 -0.01 0.00 0.00 66.41 65.25 2kg2 h THR 86 Cb 0.21 1.41 -0.32 0.00 -1.07 0.00 0.00 68.15 68.39 2kg2 h THR 86 CO 0.00 0.20 -0.74 -0.32 -0.01 0.00 0.00 175.52 174.65 2kg2 s MET 87 N -4.40 0.71 -0.02 0.00 -2.45 -1.26 -4.44 119.30 107.45 2kg2 s MET 87 Ca -0.03 -1.16 -0.14 0.00 -1.25 0.00 0.00 55.69 53.10 2kg2 s MET 87 Cb 0.15 -0.85 0.02 0.00 1.25 0.00 0.00 34.83 35.39 2kg2 s MET 87 CO 0.67 -1.24 0.30 0.54 1.05 0.00 0.00 175.02 176.34 2kg2 s VAL 88 N 1.09 0.06 0.66 10.11 0.11 -1.26 -5.04 120.40 126.13 2kg2 s VAL 88 Ca 0.21 -0.47 -0.14 0.00 -2.93 0.00 0.00 61.98 58.65 2kg2 s VAL 88 Cb -0.12 -0.60 -0.00 0.00 -1.53 0.00 0.00 36.38 34.13 2kg2 s VAL 88 CO -0.05 -0.26 1.09 0.42 -3.33 0.00 0.00 175.10 172.98 2kg2 s THR 89 N -1.28 3.45 0.22 5.04 -4.23 -1.26 -3.56 115.64 114.01 2kg2 s THR 89 Ca -0.13 0.64 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 2kg2 s THR 89 Cb -0.05 -3.17 0.17 0.00 1.34 0.00 0.00 72.50 70.79 2kg2 s THR 89 CO 0.04 -0.45 1.79 -0.74 -0.54 0.00 0.00 174.62 174.72 2kg2 h HIS 90 N -0.06 0.68 -0.10 3.99 2.76 -1.91 0.67 115.15 121.18 2kg2 h HIS 90 Ca -0.46 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2kg2 h HIS 90 Cb 1.24 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.99 2kg2 h HIS 90 CO 0.56 0.28 0.06 0.22 -1.30 0.00 0.00 177.93 177.76 2kg2 h ASP 91 N 0.66 0.13 0.28 3.26 3.58 -1.99 0.25 116.42 122.59 2kg2 h ASP 91 Ca 0.33 -0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.60 2kg2 h ASP 91 Cb 0.29 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2kg2 h ASP 91 CO -0.23 0.15 -0.48 1.56 -2.88 0.00 0.00 179.24 177.36 2kg2 h GLN 92 N 0.09 0.24 -0.29 0.28 7.50 -1.86 -2.01 115.11 119.07 2kg2 h GLN 92 Ca 0.04 -0.13 -0.12 0.00 0.50 0.00 0.00 58.65 58.94 2kg2 h GLN 92 Cb 0.05 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.58 2kg2 h GLN 92 CO -0.01 0.67 -0.28 0.00 -1.50 0.00 0.00 178.83 177.71 2kg2 h ALA 93 N 1.31 0.42 -0.68 3.87 0.00 -0.50 -2.75 119.26 120.93 2kg2 h ALA 93 Ca 0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kg2 h ALA 93 Cb 0.92 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2kg2 h ALA 93 CO 0.07 0.43 0.42 0.00 0.00 0.00 0.00 179.25 180.17 2kg2 h ARG 94 N 0.44 0.92 -0.95 0.00 2.47 -0.32 0.12 114.38 117.07 2kg2 h ARG 94 Ca 0.05 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2kg2 h ARG 94 Cb 0.85 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 2kg2 h ARG 94 CO 0.07 0.64 0.01 1.17 0.56 0.00 0.00 179.97 182.42 2kg2 n LYS 95 N -4.40 1.53 0.00 0.04 4.81 -0.77 -1.06 118.16 118.31 2kg2 n LYS 95 Ca 0.07 -0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.05 2kg2 n LYS 95 Cb 0.06 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.55 2kg2 n LYS 95 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kg2 n ARG 96 N 0.11 0.00 -0.09 1.64 5.12 -0.07 -4.69 116.66 118.68 2kg2 n ARG 96 Ca 0.05 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.89 2kg2 n ARG 96 Cb 0.42 -0.51 -0.16 0.00 -1.16 0.00 0.00 32.46 31.06 2kg2 n ARG 96 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2kg2 n LEU 97 N -1.99 0.00 -1.08 0.55 -0.00 0.24 -4.31 117.00 110.42 2kg2 n LEU 97 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.09 2kg2 n LEU 97 Cb 0.13 0.43 0.26 0.00 -0.00 0.00 0.00 43.42 44.24 2kg2 n LEU 97 CO 0.00 0.43 0.73 1.07 -0.00 0.00 0.00 177.39 179.61 2kg2 n THR 98 N -2.67 1.71 -1.42 1.47 5.66 -0.22 -3.99 114.28 114.82 2kg2 n THR 98 Ca -0.29 -1.34 -0.30 0.00 -3.05 0.00 0.00 64.05 59.08 2kg2 n THR 98 Cb 1.07 0.13 0.20 0.00 -1.55 0.00 0.00 70.33 70.18 2kg2 n THR 98 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2kg2 s LYS 99 N -1.87 -0.08 0.00 1.09 -2.85 -1.03 -4.87 119.74 110.14 2kg2 s LYS 99 Ca 0.39 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.33 2kg2 s LYS 99 Cb 0.27 -1.73 0.00 0.00 -2.06 0.00 0.00 37.83 34.31 2kg2 s LYS 99 CO 0.17 -2.95 0.77 2.89 0.10 0.00 0.00 175.35 176.33 2kg2 n ARG 100 N -4.23 1.51 0.04 1.78 1.85 -1.26 -4.66 116.66 111.68 2kg2 n ARG 100 Ca 0.12 -1.07 -0.17 0.00 -1.00 0.00 0.00 57.85 55.73 2kg2 n ARG 100 Cb 0.59 -0.93 -0.07 0.00 -1.05 0.00 0.00 32.46 31.00 2kg2 n ARG 100 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2kg2 h SER 101 N 0.00 0.79 -3.04 2.89 0.87 -1.95 -3.45 113.55 109.65 2kg2 h SER 101 Ca 0.00 -0.60 -0.46 0.00 -1.23 0.00 0.00 61.79 59.51 2kg2 h SER 101 Cb 0.41 -0.24 0.09 0.00 -0.44 0.00 0.00 62.40 62.23 2kg2 h SER 101 CO 0.00 1.40 0.18 -1.61 -0.53 0.00 0.00 176.83 176.26 2kg2 s GLU 102 N -3.41 1.79 0.24 2.24 8.01 -1.26 -5.03 118.70 121.28 2kg2 s GLU 102 Ca -0.08 -0.67 0.00 0.00 0.01 0.00 0.00 54.97 54.23 2kg2 s GLU 102 Cb 0.08 -2.22 0.00 0.00 -4.31 0.00 0.00 34.13 27.68 2kg2 s GLU 102 CO 0.90 -1.44 0.00 -0.85 0.01 0.00 0.00 175.26 173.88 2kg2 n GLU 103 N -2.95 0.00 -3.94 1.61 0.28 -1.26 -4.97 120.64 109.41 2kg2 n GLU 103 Ca 0.12 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.77 2kg2 n GLU 103 Cb 0.60 -0.06 -0.10 0.00 1.43 0.00 0.00 31.44 33.31 2kg2 n GLU 103 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2kg2 s VAL 104 N -2.00 4.71 0.10 3.84 1.01 -1.26 -0.87 120.40 125.93 2kg2 s VAL 104 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.02 2kg2 s VAL 104 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2kg2 s VAL 104 CO 0.00 0.42 -0.24 0.68 0.00 0.00 0.00 175.10 175.96 2kg2 s VAL 105 N 0.72 2.00 -0.32 2.92 -7.23 -0.41 -4.97 120.40 113.12 2kg2 s VAL 105 Ca 0.04 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 2kg2 s VAL 105 Cb -0.13 -1.77 0.08 0.00 0.56 0.00 0.00 36.38 35.12 2kg2 s VAL 105 CO 0.02 0.09 0.00 -0.13 -0.31 0.00 0.00 175.10 174.78 2kg2 s ARG 106 N -1.80 1.83 0.13 4.82 0.52 -1.26 -1.98 118.95 121.21 2kg2 s ARG 106 Ca 0.11 -1.66 0.06 0.00 -0.52 0.00 0.00 55.73 53.72 2kg2 s ARG 106 Cb -0.10 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 2kg2 s ARG 106 CO 0.04 -0.81 -0.01 -0.51 0.02 0.00 0.00 175.30 174.03 2kg2 s LEU 107 N 1.00 3.34 -0.15 2.53 2.01 0.13 0.50 118.68 128.05 2kg2 s LEU 107 Ca 0.03 -0.29 0.00 0.00 0.01 0.00 0.00 54.13 53.88 2kg2 s LEU 107 Cb -0.20 -2.05 0.03 0.00 0.01 0.00 0.00 46.19 43.97 2kg2 s LEU 107 CO -0.06 0.14 -0.13 -0.76 1.01 0.00 0.00 176.35 176.55 2kg2 s LEU 108 N -2.55 1.67 0.06 1.79 1.02 0.76 0.32 118.68 121.74 2kg2 s LEU 108 Ca 0.26 -0.50 0.06 0.00 0.02 0.00 0.00 54.13 53.96 2kg2 s LEU 108 Cb -0.11 -1.13 -0.04 0.00 0.02 0.00 0.00 46.19 44.94 2kg2 s LEU 108 CO 0.18 -0.08 -0.10 0.68 0.02 0.00 0.00 176.35 177.05 2kg2 s VAL 109 N 1.51 3.40 -0.13 -1.59 -7.23 0.11 -0.75 120.40 115.72 2kg2 s VAL 109 Ca 0.04 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.15 2kg2 s VAL 109 Cb -0.13 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 2kg2 s VAL 109 CO -0.10 0.24 -0.16 0.42 -0.31 0.00 0.00 175.10 175.19 2kg2 s THR 110 N -1.10 2.71 -0.39 5.32 -4.23 0.54 -0.76 115.64 117.74 2kg2 s THR 110 Ca 0.19 -0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 2kg2 s THR 110 Cb -0.11 -2.12 0.04 0.00 1.34 0.00 0.00 72.50 71.65 2kg2 s THR 110 CO 0.10 0.53 0.22 -0.13 -0.54 0.00 0.00 174.62 174.80 2kg2 s ARG 111 N 0.48 2.77 -0.14 3.99 0.52 0.10 -2.66 118.95 124.02 2kg2 s ARG 111 Ca -0.11 -1.17 -0.15 0.00 -0.52 0.00 0.00 55.73 53.78 2kg2 s ARG 111 Cb -0.16 -3.75 -0.13 0.00 0.52 0.00 0.00 34.95 31.43 2kg2 s ARG 111 CO 0.05 -0.76 0.29 1.96 0.02 0.00 0.00 175.30 176.85 2kg2 h GLN 112 N 8.44 0.00 -6.03 3.54 1.08 -1.86 0.56 115.11 120.84 2kg2 h GLN 112 Ca -0.25 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.50 2kg2 h GLN 112 Cb 1.10 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.41 2kg2 h GLN 112 CO 0.69 0.51 -0.68 0.43 -0.95 0.00 0.00 178.83 178.83 2kg2 n SER 113 N -4.65 -3.71 -4.78 1.46 7.64 -1.26 -4.49 113.62 103.84 2kg2 n SER 113 Ca -0.09 -0.66 -0.36 0.00 1.01 0.00 0.00 58.87 58.77 2kg2 n SER 113 Cb 0.31 -3.04 -0.02 0.00 -1.01 0.00 0.00 64.21 60.45 2kg2 n SER 113 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kg2 s LEU 114 N -6.86 3.97 0.11 -3.43 2.96 -1.26 -4.97 118.68 109.20 2kg2 s LEU 114 Ca 0.56 2.14 -0.30 0.00 -0.22 0.00 0.00 54.13 56.30 2kg2 s LEU 114 Cb -0.30 -4.35 -0.12 0.00 0.50 0.00 0.00 46.19 41.93 2kg2 s LEU 114 CO 0.69 -0.83 1.49 0.06 -1.32 0.00 0.00 176.35 176.45 2kg2 h GLN 115 N 1.93 -0.50 -4.30 1.98 3.07 -1.90 -3.47 115.11 111.92 2kg2 h GLN 115 Ca -0.49 0.03 -0.29 0.00 0.09 0.00 0.00 58.65 58.00 2kg2 h GLN 115 Cb 1.24 0.11 -0.10 0.00 0.08 0.00 0.00 27.48 28.81 2kg2 h GLN 115 CO 0.60 -0.33 -0.31 0.15 0.09 0.00 0.00 178.83 179.03 2kg2 s LYS 116 N -5.42 1.73 0.00 0.06 -0.14 -1.26 -5.09 119.74 109.62 2kg2 s LYS 116 Ca -0.14 -1.73 0.00 0.00 -1.36 0.00 0.00 55.97 52.74 2kg2 s LYS 116 Cb 0.06 0.40 0.00 0.00 -1.68 0.00 0.00 37.83 36.61 2kg2 s LYS 116 CO 0.55 -0.69 0.21 0.00 -0.76 0.00 0.00 175.35 174.66 2kg2 n ALA 117 N -0.51 0.00 -2.74 5.17 0.00 -1.20 -4.51 120.51 116.72 2kg2 n ALA 117 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 2kg2 n ALA 117 Cb 0.62 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.10 2kg2 n ALA 117 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kg2 n VAL 118 N -0.26 0.00 -0.02 0.00 3.14 -1.26 -3.73 118.33 116.20 2kg2 n VAL 118 Ca 0.00 -0.89 0.00 0.00 -2.96 0.00 0.00 64.34 60.49 2kg2 n VAL 118 Cb 0.00 0.99 0.00 0.00 -1.06 0.00 0.00 33.84 33.77 2kg2 n VAL 118 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kg2 n GLN 119 N 2.64 1.49 -4.10 1.45 0.00 -1.26 -4.88 117.38 112.72 2kg2 n GLN 119 Ca 0.15 -0.33 -0.15 0.00 0.00 0.00 0.00 57.00 56.67 2kg2 n GLN 119 Cb 0.59 -0.83 -0.11 0.00 0.00 0.00 0.00 30.24 29.89 2kg2 n GLN 119 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2kg2 s GLN 120 N -0.31 0.64 -1.48 2.61 0.00 -1.26 -4.78 119.66 115.08 2kg2 s GLN 120 Ca 0.00 -0.86 -0.05 0.00 -0.00 0.00 0.00 55.36 54.46 2kg2 s GLN 120 Cb 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 33.01 32.55 2kg2 s GLN 120 CO 0.00 0.09 0.60 0.43 0.00 0.00 0.00 175.29 176.41 2kg2 n SER 121 N 1.32 -5.95 -4.64 12.60 7.64 -1.26 -4.90 113.62 118.44 2kg2 n SER 121 Ca -0.22 -0.28 -0.43 0.00 1.01 0.00 0.00 58.87 58.96 2kg2 n SER 121 Cb 0.55 -4.76 -0.03 0.00 -1.01 0.00 0.00 64.21 58.97 2kg2 n SER 121 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2kg2 s MET 122 N -5.66 3.87 0.08 1.43 -1.94 -1.26 -4.87 119.30 110.95 2kg2 s MET 122 Ca 0.30 1.80 -0.17 0.00 -1.71 0.00 0.00 55.69 55.92 2kg2 s MET 122 Cb -0.13 -4.03 -0.11 0.00 2.01 0.00 0.00 34.83 32.57 2kg2 s MET 122 CO 0.37 -1.20 1.39 -0.07 -0.01 0.00 0.00 175.02 175.49 2kg2 h LEU 123 N 11.43 0.64 -0.20 -0.03 4.07 -1.96 -3.53 115.31 125.72 2kg2 h LEU 123 Ca -0.35 -0.48 0.00 0.00 0.08 0.00 0.00 57.88 57.13 2kg2 h LEU 123 Cb 1.16 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.72 2kg2 h LEU 123 CO 0.99 0.99 0.00 -1.20 -1.08 0.00 0.00 178.44 178.14