#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 6.22 -0.10 1.61 0.01 -1.26 -4.99 113.70 115.20 2kg2 s SER 2 Ca 0.00 -0.89 -0.26 0.00 1.31 0.00 0.00 55.95 56.11 2kg2 s SER 2 Cb 0.00 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 2kg2 s SER 2 CO 0.00 -1.57 0.82 -0.47 0.41 0.00 0.00 173.24 172.43 2kg2 s TYR 3 N 4.65 3.53 -0.18 2.43 6.14 -1.26 -5.00 117.35 127.66 2kg2 s TYR 3 Ca 0.29 1.35 -0.11 0.00 0.64 0.00 0.00 57.07 59.24 2kg2 s TYR 3 Cb -0.12 -2.96 -0.22 0.00 0.42 0.00 0.00 41.96 39.09 2kg2 s TYR 3 CO 0.09 -0.07 0.18 1.51 0.64 0.00 0.00 175.55 177.90 2kg2 n ILE 4 N 4.22 1.65 -0.58 3.14 0.13 -1.26 -4.97 119.36 121.69 2kg2 n ILE 4 Ca 0.03 -0.43 -0.22 0.00 -1.10 0.00 0.00 62.75 61.02 2kg2 n ILE 4 Cb 0.50 -1.80 0.20 0.00 -0.84 0.00 0.00 39.64 37.70 2kg2 n ILE 4 CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 2kg2 n PRO 5 N -3.81 -3.30 -1.88 9.51 -0.02 -1.26 -4.99 135.00 129.25 2kg2 n PRO 5 Ca -0.36 -1.20 -0.21 0.00 -2.02 0.00 0.00 63.50 59.71 2kg2 n PRO 5 Cb 0.92 -1.30 0.04 0.00 -0.02 0.00 0.00 33.50 33.13 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 -3.54 6.28 3.69 -1.23 0.00 -1.26 -5.01 105.19 104.13 2kg2 n GLY 6 Ca 0.11 -2.53 -0.38 0.00 0.00 0.00 0.00 46.02 43.22 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 -3.56 4.21 0.00 1.61 0.74 -1.26 -4.64 119.66 116.75 2kg2 s GLN 7 Ca 0.50 0.21 0.00 0.00 0.05 0.00 0.00 55.36 56.11 2kg2 s GLN 7 Cb 0.41 -3.51 0.00 0.00 1.10 0.00 0.00 33.01 31.01 2kg2 s GLN 7 CO 0.03 0.03 0.00 -0.35 -0.55 0.00 0.00 175.29 174.45 2kg2 n PRO 8 N 4.23 0.00 0.02 1.67 -0.04 -1.25 -5.03 135.00 134.60 2kg2 n PRO 8 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2kg2 n PRO 8 Cb 0.51 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.14 0.00 -0.05 0.52 0.24 -1.26 -4.99 118.33 112.66 2kg2 n VAL 9 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 2kg2 n VAL 9 Cb 0.00 -0.43 -0.13 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.65 1.66 -3.25 3.34 5.66 -1.26 -4.85 114.28 112.93 2kg2 n THR 10 Ca 0.00 -0.36 -0.36 0.00 -3.05 0.00 0.00 64.05 60.29 2kg2 n THR 10 Cb 0.00 -1.88 -0.06 0.00 -1.55 0.00 0.00 70.33 66.84 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 -2.47 3.51 -0.13 1.79 0.00 -1.26 -5.05 121.76 118.16 2kg2 s ALA 11 Ca -0.26 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.70 2kg2 s ALA 11 Cb 0.06 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 2kg2 s ALA 11 CO 0.68 0.40 -0.17 0.08 0.00 0.00 0.00 175.76 176.76 2kg2 s VAL 12 N -1.49 2.68 -0.12 0.00 1.01 -1.26 -3.95 120.40 117.27 2kg2 s VAL 12 Ca 0.40 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 2kg2 s VAL 12 Cb -0.16 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2kg2 s VAL 12 CO 0.20 0.53 0.51 0.54 0.00 0.00 0.00 175.10 176.88 2kg2 s VAL 13 N 0.47 5.16 0.06 2.92 0.11 -1.26 -0.27 120.40 127.59 2kg2 s VAL 13 Ca -0.12 1.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.99 2kg2 s VAL 13 Cb -0.16 -3.85 -0.03 0.00 -1.53 0.00 0.00 36.38 30.81 2kg2 s VAL 13 CO 0.05 0.29 -0.10 0.00 -3.33 0.00 0.00 175.10 172.02 2kg2 s GLN 14 N 0.80 0.67 0.19 1.54 1.03 0.88 -4.90 119.66 119.87 2kg2 s GLN 14 Ca 0.27 -0.91 -0.04 0.00 0.04 0.00 0.00 55.36 54.73 2kg2 s GLN 14 Cb -0.15 -0.45 -0.05 0.00 0.03 0.00 0.00 33.01 32.38 2kg2 s GLN 14 CO 0.11 0.08 0.43 -0.98 -2.54 0.00 0.00 175.29 172.39 2kg2 s ARG 15 N -1.97 3.60 0.12 9.60 1.04 -1.26 -0.14 118.95 129.95 2kg2 s ARG 15 Ca -0.04 -0.12 0.06 0.00 -1.04 0.00 0.00 55.73 54.59 2kg2 s ARG 15 Cb -0.08 -2.79 -0.04 0.00 -2.04 0.00 0.00 34.95 30.00 2kg2 s ARG 15 CO 0.00 0.39 -0.14 0.08 -0.04 0.00 0.00 175.30 175.60 2kg2 s VAL 16 N -1.81 1.31 -0.27 4.99 1.01 0.11 -4.84 120.40 120.90 2kg2 s VAL 16 Ca 0.41 -1.71 -0.04 0.00 0.00 0.00 0.00 61.98 60.65 2kg2 s VAL 16 Cb -0.11 -1.52 0.10 0.00 0.00 0.00 0.00 36.38 34.85 2kg2 s VAL 16 CO 0.27 -0.42 0.15 -0.70 0.00 0.00 0.00 175.10 174.39 2kg2 s GLU 17 N -2.66 0.18 -0.16 2.72 2.12 -1.26 -0.41 118.70 119.23 2kg2 s GLU 17 Ca 0.09 -0.37 -0.19 0.00 0.36 0.00 0.00 54.97 54.86 2kg2 s GLU 17 Cb -0.05 -1.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.09 2kg2 s GLU 17 CO 0.03 -0.95 0.51 0.42 -0.54 0.00 0.00 175.26 174.73 2kg2 s ILE 18 N 2.15 5.14 0.04 -3.70 1.09 -1.14 -4.66 121.20 120.12 2kg2 s ILE 18 Ca 0.08 0.99 -0.01 0.00 -1.10 0.00 0.00 60.65 60.60 2kg2 s ILE 18 Cb -0.16 -3.84 -0.04 0.00 -1.06 0.00 0.00 42.46 37.36 2kg2 s ILE 18 CO -0.31 0.24 0.21 -1.00 -0.10 0.00 0.00 174.94 173.99 2kg2 s HIS 19 N 1.16 3.53 -0.32 3.97 3.76 -1.26 -2.12 115.29 124.01 2kg2 s HIS 19 Ca 0.26 0.31 -0.43 0.00 -0.15 0.00 0.00 55.06 55.05 2kg2 s HIS 19 Cb -0.15 -1.80 -0.19 0.00 1.11 0.00 0.00 32.58 31.54 2kg2 s HIS 19 CO 0.10 0.60 1.36 0.36 -0.85 0.00 0.00 174.74 176.31 2kg2 n LYS 20 N 0.50 0.00 -4.26 1.40 2.85 -0.27 -4.67 118.16 113.71 2kg2 n LYS 20 Ca -0.07 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.86 2kg2 n LYS 20 Cb 0.52 -1.44 -0.16 0.00 -0.65 0.00 0.00 35.03 33.30 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 1.91 2.35 -0.44 -5.58 2.96 -0.97 -5.01 118.68 113.90 2kg2 s LEU 21 Ca 0.96 -0.55 -0.20 0.00 -0.22 0.00 0.00 54.13 54.12 2kg2 s LEU 21 Cb -1.36 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 43.81 2kg2 s LEU 21 CO 0.71 0.03 0.61 -0.13 -1.32 0.00 0.00 176.35 176.24 2kg2 s ARG 22 N 1.14 3.23 -0.36 1.98 1.81 -1.26 -0.55 118.95 124.93 2kg2 s ARG 22 Ca 0.01 -0.47 -0.08 0.00 -1.72 0.00 0.00 55.73 53.46 2kg2 s ARG 22 Cb -0.14 -3.96 0.04 0.00 -0.45 0.00 0.00 34.95 30.44 2kg2 s ARG 22 CO -0.06 -1.00 0.16 -0.65 -0.68 0.00 0.00 175.30 173.07 2kg2 s GLN 23 N 2.69 2.68 6.15 3.54 -1.52 -0.25 -4.92 119.66 128.03 2kg2 s GLN 23 Ca 0.20 -1.20 0.00 0.00 -1.95 0.00 0.00 55.36 52.42 2kg2 s GLN 23 Cb -0.15 -3.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.04 2kg2 s GLN 23 CO 0.18 -0.73 0.00 0.41 -0.25 0.00 0.00 175.29 174.90 2kg2 n GLY 24 N 4.89 1.59 0.08 3.09 0.00 -1.26 -1.19 105.19 112.38 2kg2 n GLY 24 Ca -0.12 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 1.04 1.71 -4.49 1.61 1.02 -1.26 -5.01 120.64 115.25 2kg2 n GLU 25 Ca 0.00 -2.35 -0.26 0.00 -0.02 0.00 0.00 57.16 54.53 2kg2 n GLU 25 Cb 0.00 -1.40 -0.10 0.00 -0.02 0.00 0.00 31.44 29.92 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 -2.43 3.93 -0.16 1.62 0.01 -0.34 -5.11 114.94 112.45 2kg2 s ASN 26 Ca 0.25 -1.20 -0.02 0.00 -0.71 0.00 0.00 52.86 51.19 2kg2 s ASN 26 Cb 0.22 -0.41 -0.01 0.00 0.41 0.00 0.00 41.25 41.45 2kg2 s ASN 26 CO 0.03 -0.31 -0.09 -0.22 -1.51 0.00 0.00 177.10 174.99 2kg2 s LEU 27 N -3.69 2.83 0.13 0.60 2.96 -1.26 -1.09 118.68 119.17 2kg2 s LEU 27 Ca 0.34 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2kg2 s LEU 27 Cb 0.04 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2kg2 s LEU 27 CO 0.18 0.10 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.68 2kg2 s ILE 28 N 0.73 0.50 -2.32 6.68 1.01 0.28 -4.09 121.20 123.98 2kg2 s ILE 28 Ca -0.04 -1.94 0.24 0.00 0.00 0.00 0.00 60.65 58.92 2kg2 s ILE 28 Cb -0.15 -1.94 0.53 0.00 0.01 0.00 0.00 42.46 40.91 2kg2 s ILE 28 CO 0.02 -0.62 1.69 0.18 0.00 0.00 0.00 174.94 176.21 2kg2 n LEU 29 N -0.13 1.36 0.00 2.97 4.32 -1.26 -2.29 117.00 121.97 2kg2 n LEU 29 Ca -0.08 -0.52 0.00 0.00 -0.02 0.00 0.00 56.01 55.39 2kg2 n LEU 29 Cb 0.63 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 2kg2 n LEU 29 CO 0.31 0.26 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 2kg2 n GLY 30 N 1.11 2.55 3.94 -0.72 0.00 -1.26 -3.86 105.19 106.96 2kg2 n GLY 30 Ca 0.18 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.20 3.13 0.28 1.61 -0.71 -1.26 -2.73 117.98 118.10 2kg2 s PHE 31 Ca 0.00 0.32 0.08 0.00 -1.04 0.00 0.00 56.93 56.29 2kg2 s PHE 31 Cb 0.00 -2.59 -0.06 0.00 -1.21 0.00 0.00 43.02 39.16 2kg2 s PHE 31 CO 0.00 -0.68 -0.09 -1.12 -1.34 0.00 0.00 175.22 171.99 2kg2 s SER 32 N -4.31 3.04 0.30 1.98 0.01 0.24 -4.87 113.70 110.09 2kg2 s SER 32 Ca 0.53 -1.15 0.06 0.00 1.31 0.00 0.00 55.95 56.70 2kg2 s SER 32 Cb -0.10 -0.22 -0.06 0.00 0.21 0.00 0.00 66.02 65.85 2kg2 s SER 32 CO 0.41 -0.25 -0.03 0.27 0.41 0.00 0.00 173.24 174.04 2kg2 s ILE 33 N -2.86 1.64 -0.04 1.44 -4.36 -1.26 -0.94 121.20 114.82 2kg2 s ILE 33 Ca 0.29 -2.10 0.11 0.00 -0.26 0.00 0.00 60.65 58.70 2kg2 s ILE 33 Cb 0.02 -2.57 -0.17 0.00 1.25 0.00 0.00 42.46 40.98 2kg2 s ILE 33 CO 0.12 -0.21 0.20 0.61 0.24 0.00 0.00 174.94 175.91 2kg2 n GLY 34 N -0.65 -0.54 0.00 6.27 0.00 0.06 -4.58 105.19 105.75 2kg2 n GLY 34 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 1.95 3.18 0.00 -0.02 0.00 -1.26 -4.92 105.19 104.12 2kg2 n GLY 35 Ca -0.06 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.18 1.21 0.21 -0.02 0.00 -1.25 -3.78 105.19 100.39 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 0.00 0.00 -0.61 -2.65 -1.83 -1.81 117.51 110.61 2kg2 h ILE 37 Ca 0.00 -0.42 0.00 0.00 1.03 0.00 0.00 64.86 65.47 2kg2 h ILE 37 Cb 0.00 1.31 0.00 0.00 -2.05 0.00 0.00 36.82 36.08 2kg2 h ILE 37 CO 0.00 0.00 0.00 -0.67 0.03 0.00 0.00 178.15 177.51 2kg2 n ASP 38 N -2.71 0.00 -4.80 2.16 2.03 -1.26 -4.77 116.55 107.20 2kg2 n ASP 38 Ca 0.02 0.40 -0.22 0.00 0.52 0.00 0.00 54.79 55.51 2kg2 n ASP 38 Cb 0.29 -0.46 -0.05 0.00 -0.72 0.00 0.00 41.12 40.19 2kg2 n ASP 38 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kg2 s GLN 39 N -2.92 2.70 -0.39 -0.67 -1.52 -0.68 -4.99 119.66 111.19 2kg2 s GLN 39 Ca 0.13 -1.26 -0.10 0.00 -1.95 0.00 0.00 55.36 52.17 2kg2 s GLN 39 Cb 0.15 -2.43 0.04 0.00 -0.22 0.00 0.00 33.01 30.55 2kg2 s GLN 39 CO 0.39 0.23 0.22 -0.51 -0.25 0.00 0.00 175.29 175.37 2kg2 s ASP 40 N -3.89 5.70 0.66 5.90 1.01 -1.26 -4.95 116.67 119.83 2kg2 s ASP 40 Ca 0.37 -1.15 0.41 0.00 0.71 0.00 0.00 52.55 52.89 2kg2 s ASP 40 Cb -0.06 -2.01 2.21 0.00 1.01 0.00 0.00 42.92 44.07 2kg2 s ASP 40 CO 0.25 -0.43 2.25 1.55 0.21 0.00 0.00 175.17 178.99 2kg2 h PRO 41 N 8.43 0.00 0.00 8.23 0.13 -1.91 0.23 132.00 147.10 2kg2 h PRO 41 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2kg2 h PRO 41 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kg2 h PRO 41 CO 0.69 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.91 2kg2 n SER 42 N -3.00 0.00 -1.24 1.44 2.88 -1.26 -3.27 113.62 109.17 2kg2 n SER 42 Ca -0.03 -0.06 -0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2kg2 n SER 42 Cb 0.14 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.31 2kg2 n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg2 n GLN 43 N -1.28 0.00 -4.23 -1.46 0.00 0.74 -5.10 117.38 106.06 2kg2 n GLN 43 Ca 0.11 -1.52 -0.32 0.00 0.00 0.00 0.00 57.00 55.27 2kg2 n GLN 43 Cb 0.18 0.17 -0.08 0.00 0.00 0.00 0.00 30.24 30.51 2kg2 n GLN 43 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2kg2 s ASN 44 N -1.52 5.23 0.16 2.61 0.02 -0.82 -4.92 114.94 115.69 2kg2 s ASN 44 Ca 0.19 0.00 -0.11 0.00 -1.02 0.00 0.00 52.86 51.92 2kg2 s ASN 44 Cb 0.21 -1.38 0.01 0.00 0.02 0.00 0.00 41.25 40.11 2kg2 s ASN 44 CO -0.09 0.27 1.57 1.55 0.02 0.00 0.00 177.10 180.41 2kg2 h PRO 45 N 4.18 0.96 0.00 -0.60 0.13 -1.92 -3.01 132.00 131.74 2kg2 h PRO 45 Ca -0.49 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 2kg2 h PRO 45 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kg2 h PRO 45 CO 0.59 1.03 0.00 1.19 -0.23 0.00 0.00 178.00 180.58 2kg2 n PHE 46 N -4.20 0.00 0.66 1.56 3.72 -1.26 -4.48 117.46 113.45 2kg2 n PHE 46 Ca 0.01 -0.21 0.09 0.00 -0.05 0.00 0.00 57.45 57.29 2kg2 n PHE 46 Cb 0.40 -0.02 0.10 0.00 -0.94 0.00 0.00 39.48 39.02 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 -0.21 2.70 0.29 4.37 2.88 -1.24 -3.89 113.62 118.52 2kg2 n SER 47 Ca 0.00 -1.81 0.18 0.00 -1.33 0.00 0.00 58.87 55.91 2kg2 n SER 47 Cb 0.12 -0.05 0.84 0.00 -0.75 0.00 0.00 64.21 64.37 2kg2 n SER 47 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2kg2 h GLU 48 N 3.68 0.00 0.49 -1.46 4.11 -1.63 -2.96 114.58 116.82 2kg2 h GLU 48 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2kg2 h GLU 48 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2kg2 h GLU 48 CO 0.00 0.01 -0.24 0.22 0.07 0.00 0.00 179.01 179.08 2kg2 h ASP 49 N 0.00 -0.56 -3.40 3.06 3.58 -1.89 -3.40 116.42 113.81 2kg2 h ASP 49 Ca -0.00 0.02 -0.63 0.00 0.42 0.00 0.00 57.03 56.84 2kg2 h ASP 49 Cb 0.36 0.14 -0.33 0.00 1.72 0.00 0.00 39.33 41.23 2kg2 h ASP 49 CO 0.00 -0.18 -0.86 -0.54 -2.88 0.00 0.00 179.24 174.78 2kg2 s LYS 50 N -3.73 2.64 0.00 0.28 -0.14 -1.12 -4.70 119.74 112.97 2kg2 s LYS 50 Ca -0.10 -0.75 0.30 0.00 -1.36 0.00 0.00 55.97 54.07 2kg2 s LYS 50 Cb 0.01 -2.04 1.58 0.00 -1.68 0.00 0.00 37.83 35.71 2kg2 s LYS 50 CO 0.29 0.15 2.05 0.25 -0.76 0.00 0.00 175.35 177.32 2kg2 n THR 51 N 3.57 0.00 1.43 2.17 -2.24 -1.26 -3.18 114.28 114.77 2kg2 n THR 51 Ca -0.20 -0.09 0.15 0.00 -2.27 0.00 0.00 64.05 61.64 2kg2 n THR 51 Cb 0.53 -0.14 0.75 0.00 -2.10 0.00 0.00 70.33 69.37 2kg2 n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2kg2 n ASP 52 N -0.59 0.04 -0.65 3.42 2.03 -1.26 -4.98 116.55 114.57 2kg2 n ASP 52 Ca 0.22 -0.19 0.07 0.00 0.52 0.00 0.00 54.79 55.41 2kg2 n ASP 52 Cb 0.20 -0.26 -0.02 0.00 -0.72 0.00 0.00 41.12 40.32 2kg2 n ASP 52 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kg2 n LYS 53 N -1.26 -0.97 0.00 -0.67 5.02 -1.19 -4.93 118.16 114.15 2kg2 n LYS 53 Ca 0.14 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 2kg2 n LYS 53 Cb 0.24 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.58 4.00 3.70 0.72 0.00 -1.26 -4.84 105.19 105.93 2kg2 n GLY 54 Ca 0.00 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.00 4.55 0.13 -0.61 -1.09 -1.25 -3.75 121.20 117.19 2kg2 s ILE 55 Ca 0.00 1.84 0.05 0.00 -2.23 0.00 0.00 60.65 60.30 2kg2 s ILE 55 Cb 0.00 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 2kg2 s ILE 55 CO 0.00 0.09 -0.11 -0.72 -1.23 0.00 0.00 174.94 172.96 2kg2 s TYR 56 N 1.46 1.28 0.09 3.97 -0.85 -1.25 -0.47 117.35 121.59 2kg2 s TYR 56 Ca 0.53 -0.68 -0.29 0.00 -0.52 0.00 0.00 57.07 56.11 2kg2 s TYR 56 Cb -0.23 -0.66 -0.05 0.00 0.38 0.00 0.00 41.96 41.40 2kg2 s TYR 56 CO 0.25 0.10 0.94 0.08 -1.52 0.00 0.00 175.55 175.39 2kg2 s VAL 57 N -2.84 4.57 -0.06 -3.49 1.01 -1.12 -0.76 120.40 117.70 2kg2 s VAL 57 Ca 0.13 2.02 0.14 0.00 0.00 0.00 0.00 61.98 64.27 2kg2 s VAL 57 Cb -0.01 -4.30 -0.22 0.00 0.00 0.00 0.00 36.38 31.86 2kg2 s VAL 57 CO 0.01 0.31 0.25 0.35 0.00 0.00 0.00 175.10 176.02 2kg2 n THR 58 N 2.90 0.29 -3.67 3.92 -2.24 -0.11 -0.22 114.28 115.15 2kg2 n THR 58 Ca 0.02 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.24 2kg2 n THR 58 Cb 0.49 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.56 2kg2 n THR 58 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2kg2 s ARG 59 N -2.84 0.70 0.12 -0.78 1.81 -1.21 -4.87 118.95 111.88 2kg2 s ARG 59 Ca -0.06 0.58 0.01 0.00 -1.72 0.00 0.00 55.73 54.54 2kg2 s ARG 59 Cb 0.08 0.34 0.01 0.00 -0.45 0.00 0.00 34.95 34.93 2kg2 s ARG 59 CO 0.61 -0.12 0.10 1.33 -0.68 0.00 0.00 175.30 176.54 2kg2 n VAL 60 N 2.36 0.00 -1.95 3.52 0.24 -1.26 0.81 118.33 122.04 2kg2 n VAL 60 Ca -0.15 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 2kg2 n VAL 60 Cb 0.56 -0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 32.39 2kg2 n VAL 60 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kg2 s SER 61 N -1.69 6.60 0.65 -1.34 1.04 -1.11 -4.58 113.70 113.27 2kg2 s SER 61 Ca 0.08 2.63 0.35 0.00 0.48 0.00 0.00 55.95 59.49 2kg2 s SER 61 Cb -0.01 -2.60 1.94 0.00 0.10 0.00 0.00 66.02 65.45 2kg2 s SER 61 CO 0.05 -0.80 2.13 1.05 0.98 0.00 0.00 173.24 176.65 2kg2 h GLU 62 N 6.33 0.00 0.00 4.02 4.11 -1.97 -3.34 114.58 123.73 2kg2 h GLU 62 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kg2 h GLU 62 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kg2 h GLU 62 CO 0.88 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.37 2kg2 n GLY 63 N -1.22 -0.48 0.00 1.06 0.00 -1.26 -5.09 105.19 98.19 2kg2 n GLY 63 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 6.28 0.26 -0.02 0.00 -1.25 -4.97 105.19 105.48 2kg2 n GLY 64 Ca 0.00 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.28 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 0.32 0.82 1.61 0.13 -1.83 0.11 132.00 133.17 2kg2 h PRO 65 Ca 0.00 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 2kg2 h PRO 65 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 2kg2 h PRO 65 CO 0.00 0.38 -0.44 0.00 -0.23 0.00 0.00 178.00 177.71 2kg2 h ALA 66 N 1.66 -1.29 -0.02 -0.56 0.00 -1.90 0.22 119.26 117.37 2kg2 h ALA 66 Ca 0.07 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2kg2 h ALA 66 Cb 0.27 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2kg2 h ALA 66 CO 0.01 -1.22 -0.54 1.05 0.00 0.00 0.00 179.25 178.55 2kg2 h GLU 67 N -1.16 0.06 -0.57 0.00 4.11 -1.59 0.28 114.58 115.71 2kg2 h GLU 67 Ca -0.11 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.24 2kg2 h GLU 67 Cb 0.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2kg2 h GLU 67 CO 0.16 0.58 0.20 0.82 0.07 0.00 0.00 179.01 180.84 2kg2 h ILE 68 N 0.05 1.23 0.09 -1.06 1.08 -0.88 -3.30 117.51 114.72 2kg2 h ILE 68 Ca -0.00 -0.76 -0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2kg2 h ILE 68 Cb 0.96 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 2kg2 h ILE 68 CO 0.07 0.29 -0.04 0.00 -0.69 0.00 0.00 178.15 177.78 2kg2 h ALA 69 N 1.06 -0.12 0.00 1.87 0.00 -0.45 -3.48 119.26 118.14 2kg2 h ALA 69 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kg2 h ALA 69 Cb 0.25 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kg2 h ALA 69 CO -0.01 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.50 2kg2 n GLY 70 N 1.19 0.00 3.60 0.00 0.00 -0.68 -4.83 105.19 104.47 2kg2 n GLY 70 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 4.01 0.17 0.99 2.96 0.88 -4.86 118.68 122.83 2kg2 s LEU 71 Ca 0.00 0.00 0.10 0.00 -0.22 0.00 0.00 54.13 54.01 2kg2 s LEU 71 Cb 0.00 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2kg2 s LEU 71 CO 0.00 -0.03 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.75 2kg2 s GLN 72 N 1.62 1.85 0.22 1.98 -1.52 -1.26 -3.78 119.66 118.77 2kg2 s GLN 72 Ca 0.07 -1.32 -0.32 0.00 -1.95 0.00 0.00 55.36 51.85 2kg2 s GLN 72 Cb -0.15 -2.06 -0.12 0.00 -0.22 0.00 0.00 33.01 30.45 2kg2 s GLN 72 CO 0.09 0.44 1.68 -0.89 -0.25 0.00 0.00 175.29 176.36 2kg2 n ILE 73 N 0.28 0.25 0.00 1.08 5.41 -1.26 -2.78 119.36 122.34 2kg2 n ILE 73 Ca -0.12 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2kg2 n ILE 73 Cb 0.55 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 2kg2 n ILE 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kg2 n GLY 74 N 3.50 2.91 3.69 7.39 0.00 0.70 -4.96 105.19 118.41 2kg2 n GLY 74 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 0.32 6.93 -0.05 1.61 1.01 -1.12 -4.68 116.67 120.69 2kg2 s ASP 75 Ca 0.00 2.00 -0.27 0.00 0.71 0.00 0.00 52.55 54.99 2kg2 s ASP 75 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 2kg2 s ASP 75 CO 0.00 -0.66 0.87 -0.54 0.21 0.00 0.00 175.17 175.04 2kg2 s LYS 76 N 2.30 4.47 -0.20 8.23 1.02 -1.17 -2.80 119.74 131.59 2kg2 s LYS 76 Ca 0.61 1.18 -0.17 0.00 0.02 0.00 0.00 55.97 57.60 2kg2 s LYS 76 Cb -0.29 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 2kg2 s LYS 76 CO 0.25 -0.07 0.47 0.42 -0.92 0.00 0.00 175.35 175.50 2kg2 s ILE 77 N 1.16 5.14 -0.46 2.17 1.09 0.38 -0.56 121.20 130.14 2kg2 s ILE 77 Ca 0.45 0.86 0.11 0.00 -1.10 0.00 0.00 60.65 60.97 2kg2 s ILE 77 Cb -0.19 -3.80 -0.13 0.00 -1.06 0.00 0.00 42.46 37.28 2kg2 s ILE 77 CO 0.22 0.21 0.44 0.23 -0.10 0.00 0.00 174.94 175.94 2kg2 n MET 78 N 4.67 2.87 -3.69 2.79 2.81 -0.19 -4.06 117.12 122.32 2kg2 n MET 78 Ca -0.06 -0.02 -0.12 0.00 -1.81 0.00 0.00 57.70 55.70 2kg2 n MET 78 Cb 0.51 -1.06 -0.12 0.00 -0.71 0.00 0.00 33.22 31.83 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 -2.17 0.23 -0.08 0.03 -0.44 -1.04 -0.46 119.66 115.74 2kg2 s GLN 79 Ca 0.03 0.74 -0.02 0.00 -2.50 0.00 0.00 55.36 53.61 2kg2 s GLN 79 Cb 0.08 -0.00 0.03 0.00 -1.64 0.00 0.00 33.01 31.49 2kg2 s GLN 79 CO 0.46 -0.22 0.02 0.08 0.50 0.00 0.00 175.29 176.14 2kg2 s VAL 80 N 1.93 0.26 -1.51 1.34 1.01 -1.26 -0.01 120.40 122.15 2kg2 s VAL 80 Ca -0.04 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 2kg2 s VAL 80 Cb -0.11 -0.50 0.08 0.00 0.00 0.00 0.00 36.38 35.86 2kg2 s VAL 80 CO -0.10 0.17 0.90 -3.20 0.00 0.00 0.00 175.10 172.87 2kg2 n ASN 81 N 5.18 -4.77 -1.64 3.32 4.05 0.11 -0.91 115.26 120.60 2kg2 n ASN 81 Ca -0.06 -0.71 -0.16 0.00 0.45 0.00 0.00 54.58 54.10 2kg2 n ASN 81 Cb 0.50 -3.83 -0.02 0.00 1.23 0.00 0.00 39.78 37.66 2kg2 n ASN 81 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2kg2 n GLY 82 N -1.62 0.20 0.00 8.20 0.00 -1.26 -4.88 105.19 105.84 2kg2 n GLY 82 Ca 0.03 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.64 0.00 -2.25 1.61 4.27 -0.09 -5.09 117.44 112.25 2kg2 n TRP 83 Ca -0.18 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.43 2kg2 n TRP 83 Cb 0.61 -0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.56 2kg2 n TRP 83 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 2kg2 n ASP 84 N -1.16 -7.58 -0.82 -0.67 8.00 -1.25 -4.91 116.55 108.16 2kg2 n ASP 84 Ca 0.01 1.65 0.12 0.00 0.71 0.00 0.00 54.79 57.29 2kg2 n ASP 84 Cb 0.10 -4.47 0.27 0.00 -0.02 0.00 0.00 41.12 37.00 2kg2 n ASP 84 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2kg2 n MET 85 N 1.89 2.11 -2.31 -1.24 0.00 0.39 -4.78 117.12 113.18 2kg2 n MET 85 Ca 0.00 -1.63 -0.41 0.00 -0.00 0.00 0.00 57.70 55.66 2kg2 n MET 85 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 33.22 31.72 2kg2 n MET 85 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2kg2 s THR 86 N -1.88 3.37 -0.61 1.12 -1.32 -0.51 -4.11 115.64 111.71 2kg2 s THR 86 Ca 0.33 1.18 -0.10 0.00 -1.21 0.00 0.00 61.69 61.89 2kg2 s THR 86 Cb 0.20 -3.75 0.01 0.00 -1.51 0.00 0.00 72.50 67.46 2kg2 s THR 86 CO 0.31 0.20 0.65 0.80 -2.21 0.00 0.00 174.62 174.36 2kg2 n MET 87 N 2.32 -1.79 -3.75 7.08 0.00 -1.26 -5.05 117.12 114.67 2kg2 n MET 87 Ca 0.04 1.62 -0.13 0.00 -0.00 0.00 0.00 57.70 59.23 2kg2 n MET 87 Cb 0.44 -4.91 -0.08 0.00 0.00 0.00 0.00 33.22 28.66 2kg2 n MET 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kg2 s VAL 88 N -2.70 0.06 0.67 1.12 0.11 -1.26 -5.03 120.40 113.37 2kg2 s VAL 88 Ca 0.13 -0.47 -0.13 0.00 -2.93 0.00 0.00 61.98 58.58 2kg2 s VAL 88 Cb -0.03 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2kg2 s VAL 88 CO 0.79 -0.26 1.07 0.42 -3.33 0.00 0.00 175.10 173.79 2kg2 s THR 89 N -1.37 3.75 0.25 5.04 -4.23 -1.26 -3.34 115.64 114.48 2kg2 s THR 89 Ca -0.13 0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 61.02 2kg2 s THR 89 Cb -0.05 -3.28 0.22 0.00 1.34 0.00 0.00 72.50 70.73 2kg2 s THR 89 CO 0.04 -0.64 1.78 -0.74 -0.54 0.00 0.00 174.62 174.52 2kg2 h HIS 90 N -0.31 0.75 -0.26 3.99 2.76 -1.90 -0.44 115.15 119.73 2kg2 h HIS 90 Ca -0.45 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.73 2kg2 h HIS 90 Cb 1.22 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 2kg2 h HIS 90 CO 0.59 0.23 0.09 0.22 -1.30 0.00 0.00 177.93 177.77 2kg2 h ASP 91 N 0.66 0.37 0.36 3.26 1.82 -1.99 0.81 116.42 121.70 2kg2 h ASP 91 Ca 0.42 -0.19 -0.15 0.00 -0.39 0.00 0.00 57.03 56.72 2kg2 h ASP 91 Cb 0.50 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 2kg2 h ASP 91 CO -0.31 0.46 -0.61 1.56 -1.61 0.00 0.00 179.24 178.73 2kg2 h GLN 92 N 0.26 0.25 -0.25 0.28 7.50 -1.86 -2.42 115.11 118.86 2kg2 h GLN 92 Ca 0.08 -0.17 -0.06 0.00 0.50 0.00 0.00 58.65 59.00 2kg2 h GLN 92 Cb 0.22 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 2kg2 h GLN 92 CO -0.00 0.78 -0.09 0.00 -1.50 0.00 0.00 178.83 178.02 2kg2 h ALA 93 N 1.17 0.35 -0.95 3.87 0.00 -0.85 -2.99 119.26 119.86 2kg2 h ALA 93 Ca -0.01 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.72 2kg2 h ALA 93 Cb 1.12 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 2kg2 h ALA 93 CO 0.10 0.17 0.59 0.00 0.00 0.00 0.00 179.25 180.11 2kg2 h ARG 94 N 0.23 0.93 -1.19 0.00 2.47 -0.68 0.24 114.38 116.38 2kg2 h ARG 94 Ca 0.06 -0.06 -0.17 0.00 -1.26 0.00 0.00 59.98 58.56 2kg2 h ARG 94 Cb 0.57 -0.21 -0.09 0.00 -1.65 0.00 0.00 29.97 28.59 2kg2 h ARG 94 CO 0.03 0.62 0.21 1.17 0.56 0.00 0.00 179.97 182.56 2kg2 n LYS 95 N -4.64 1.41 0.00 0.04 3.00 -0.93 -1.64 118.16 115.40 2kg2 n LYS 95 Ca 0.17 -0.91 0.00 0.00 -0.00 0.00 0.00 58.31 57.56 2kg2 n LYS 95 Cb 0.30 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 33.98 2kg2 n LYS 95 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2kg2 n ARG 96 N 0.22 0.00 0.07 1.64 3.00 -0.19 -4.77 116.66 116.63 2kg2 n ARG 96 Ca 0.18 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.13 2kg2 n ARG 96 Cb 0.77 -0.04 -0.05 0.00 0.00 0.00 0.00 32.46 33.14 2kg2 n ARG 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2kg2 n LEU 97 N -2.37 0.66 -0.12 6.15 -0.00 0.66 -4.00 117.00 117.98 2kg2 n LEU 97 Ca 0.00 0.26 0.01 0.00 -0.00 0.00 0.00 56.01 56.28 2kg2 n LEU 97 Cb 0.00 -0.03 0.03 0.00 -0.00 0.00 0.00 43.42 43.43 2kg2 n LEU 97 CO 0.00 -0.11 0.53 1.07 -0.00 0.00 0.00 177.39 178.88 2kg2 n THR 98 N -2.61 1.01 -1.56 1.47 5.66 -0.65 -4.24 114.28 113.36 2kg2 n THR 98 Ca -0.02 -1.01 -0.33 0.00 -3.05 0.00 0.00 64.05 59.63 2kg2 n THR 98 Cb 0.59 0.49 0.07 0.00 -1.55 0.00 0.00 70.33 69.94 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 -1.02 2.43 0.00 1.09 -2.85 -1.07 -4.82 119.74 113.50 2kg2 s LYS 99 Ca 0.05 1.55 0.19 0.00 -1.00 0.00 0.00 55.97 56.76 2kg2 s LYS 99 Cb 0.03 -1.89 0.39 0.00 -2.06 0.00 0.00 37.83 34.30 2kg2 s LYS 99 CO 0.03 -1.57 1.33 2.89 0.10 0.00 0.00 175.35 178.13 2kg2 n ARG 100 N -2.65 2.38 0.12 1.78 1.85 -1.26 -4.28 116.66 114.60 2kg2 n ARG 100 Ca 0.12 -2.17 -0.20 0.00 -1.00 0.00 0.00 57.85 54.59 2kg2 n ARG 100 Cb 0.51 -1.44 -0.14 0.00 -1.05 0.00 0.00 32.46 30.35 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 3.67 0.69 -3.26 2.89 0.87 -1.92 -3.44 113.55 113.05 2kg2 h SER 101 Ca 0.00 -0.70 -0.57 0.00 -1.23 0.00 0.00 61.79 59.29 2kg2 h SER 101 Cb 0.87 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 2kg2 h SER 101 CO 0.00 1.54 -0.20 -0.70 -0.53 0.00 0.00 176.83 176.94 2kg2 s GLU 102 N -2.74 3.76 -0.10 2.24 2.56 -1.26 -5.02 118.70 118.14 2kg2 s GLU 102 Ca -0.07 0.18 -0.10 0.00 0.00 0.00 0.00 54.97 54.98 2kg2 s GLU 102 Cb 0.06 -2.84 -0.03 0.00 2.00 0.00 0.00 34.13 33.31 2kg2 s GLU 102 CO 0.92 0.45 -0.20 -0.85 -0.56 0.00 0.00 175.26 175.02 2kg2 n GLU 103 N 0.35 0.30 -5.09 4.30 0.28 -1.26 -4.88 120.64 114.64 2kg2 n GLU 103 Ca -0.03 0.12 -0.32 0.00 -0.16 0.00 0.00 57.16 56.76 2kg2 n GLU 103 Cb 0.52 -1.01 -0.16 0.00 1.43 0.00 0.00 31.44 32.22 2kg2 n GLU 103 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2kg2 s VAL 104 N -2.12 2.42 0.05 3.84 0.11 -1.26 -1.11 120.40 122.32 2kg2 s VAL 104 Ca -0.16 -0.92 0.05 0.00 -2.93 0.00 0.00 61.98 58.02 2kg2 s VAL 104 Cb 0.02 -1.94 -0.02 0.00 -1.53 0.00 0.00 36.38 32.91 2kg2 s VAL 104 CO 0.24 0.56 -0.15 0.68 -3.33 0.00 0.00 175.10 173.10 2kg2 s VAL 105 N 0.02 1.17 -0.37 2.04 -7.23 -0.90 -5.01 120.40 110.12 2kg2 s VAL 105 Ca -0.07 -1.11 -0.13 0.00 -1.81 0.00 0.00 61.98 58.85 2kg2 s VAL 105 Cb -0.15 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.72 2kg2 s VAL 105 CO 0.05 -0.04 0.26 -0.13 -0.31 0.00 0.00 175.10 174.93 2kg2 s ARG 106 N -1.32 3.22 0.31 4.82 1.81 -1.26 -2.90 118.95 123.63 2kg2 s ARG 106 Ca 0.01 -0.83 0.09 0.00 -1.72 0.00 0.00 55.73 53.28 2kg2 s ARG 106 Cb -0.08 -3.86 -0.04 0.00 -0.45 0.00 0.00 34.95 30.51 2kg2 s ARG 106 CO 0.02 -0.59 0.06 -0.51 -0.68 0.00 0.00 175.30 173.60 2kg2 s LEU 107 N 1.69 3.19 -0.03 2.53 1.43 0.45 0.09 118.68 128.02 2kg2 s LEU 107 Ca 0.05 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.39 2kg2 s LEU 107 Cb -0.18 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.40 2kg2 s LEU 107 CO 0.10 -0.16 0.05 -0.76 0.23 0.00 0.00 176.35 175.80 2kg2 s LEU 108 N -3.75 0.50 0.14 1.79 1.02 0.99 0.09 118.68 119.46 2kg2 s LEU 108 Ca 0.35 0.06 0.09 0.00 0.02 0.00 0.00 54.13 54.64 2kg2 s LEU 108 Cb -0.04 -0.13 -0.04 0.00 0.02 0.00 0.00 46.19 46.00 2kg2 s LEU 108 CO 0.21 -0.20 -0.15 0.68 0.02 0.00 0.00 176.35 176.90 2kg2 s VAL 109 N 1.76 2.95 -0.25 -1.59 -7.23 0.80 -1.02 120.40 115.82 2kg2 s VAL 109 Ca -0.00 -1.56 -0.09 0.00 -1.81 0.00 0.00 61.98 58.52 2kg2 s VAL 109 Cb -0.12 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2kg2 s VAL 109 CO -0.03 0.03 0.12 0.42 -0.31 0.00 0.00 175.10 175.33 2kg2 s THR 110 N -1.34 4.89 -0.23 5.32 -4.23 0.28 -0.08 115.64 120.25 2kg2 s THR 110 Ca 0.20 0.02 -0.29 0.00 -1.18 0.00 0.00 61.69 60.45 2kg2 s THR 110 Cb -0.10 -3.29 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 2kg2 s THR 110 CO 0.12 0.33 1.66 -0.13 -0.54 0.00 0.00 174.62 176.06 2kg2 s ARG 111 N 1.34 3.73 0.00 3.99 0.52 0.62 -3.06 118.95 126.10 2kg2 s ARG 111 Ca 0.06 1.65 0.13 0.00 -0.52 0.00 0.00 55.73 57.06 2kg2 s ARG 111 Cb -0.15 -4.07 0.21 0.00 0.52 0.00 0.00 34.95 31.47 2kg2 s ARG 111 CO 0.06 -1.38 1.08 1.04 0.02 0.00 0.00 175.30 176.12 2kg2 n GLN 112 N 7.79 1.66 -0.21 3.54 1.13 -1.26 -4.10 117.38 125.92 2kg2 n GLN 112 Ca 0.20 -1.65 0.00 0.00 -1.94 0.00 0.00 57.00 53.61 2kg2 n GLN 112 Cb 0.45 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.52 2kg2 n GLN 112 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2kg2 n SER 113 N 0.75 3.57 -2.84 1.08 3.41 -1.26 -4.82 113.62 113.50 2kg2 n SER 113 Ca 0.10 -1.96 -0.09 0.00 -0.26 0.00 0.00 58.87 56.66 2kg2 n SER 113 Cb 0.39 -0.69 0.05 0.00 -0.26 0.00 0.00 64.21 63.70 2kg2 n SER 113 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kg2 n LEU 114 N 1.05 0.00 -4.33 1.04 4.32 -1.26 -5.13 117.00 112.69 2kg2 n LEU 114 Ca 0.00 -0.68 -0.17 0.00 -0.02 0.00 0.00 56.01 55.14 2kg2 n LEU 114 Cb 0.43 -0.27 -0.10 0.00 -1.62 0.00 0.00 43.42 41.85 2kg2 n LEU 114 CO 0.00 -0.73 -0.37 -1.10 -1.22 0.00 0.00 177.39 173.98 2kg2 s GLN 115 N -3.58 1.30 0.00 3.23 -1.52 -1.26 -4.78 119.66 113.05 2kg2 s GLN 115 Ca 0.25 -1.63 0.00 0.00 -1.95 0.00 0.00 55.36 52.03 2kg2 s GLN 115 Cb -0.01 -0.75 0.00 0.00 -0.22 0.00 0.00 33.01 32.03 2kg2 s GLN 115 CO 0.17 -0.01 0.00 1.63 -0.25 0.00 0.00 175.29 176.83 2kg2 n LYS 116 N -0.38 0.00 -3.43 2.91 5.02 -1.26 -4.86 118.16 116.15 2kg2 n LYS 116 Ca -0.07 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.03 2kg2 n LYS 116 Cb 0.63 -0.52 -0.01 0.00 -0.02 0.00 0.00 35.03 35.11 2kg2 n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kg2 s ALA 117 N -0.01 4.23 -0.15 7.82 0.00 -1.26 -4.86 121.76 127.54 2kg2 s ALA 117 Ca 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 2kg2 s ALA 117 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 2kg2 s ALA 117 CO 0.00 -0.09 0.02 0.28 0.00 0.00 0.00 175.76 175.97 2kg2 n VAL 118 N -1.64 -6.62 -1.67 0.00 0.31 -1.26 -4.87 118.33 102.58 2kg2 n VAL 118 Ca 0.02 0.82 -0.43 0.00 -0.01 0.00 0.00 64.34 64.74 2kg2 n VAL 118 Cb 0.59 -5.38 -0.00 0.00 -0.91 0.00 0.00 33.84 28.14 2kg2 n VAL 118 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kg2 n GLN 119 N 0.27 1.84 -0.36 5.55 1.13 -1.26 -4.87 117.38 119.68 2kg2 n GLN 119 Ca 0.00 0.65 0.27 0.00 -1.94 0.00 0.00 57.00 55.99 2kg2 n GLN 119 Cb 0.02 -2.20 0.53 0.00 0.11 0.00 0.00 30.24 28.70 2kg2 n GLN 119 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 2kg2 h GLN 120 N 2.25 0.27 -2.69 -1.09 3.07 -1.95 -3.46 115.11 111.51 2kg2 h GLN 120 Ca -0.45 -0.02 -0.35 0.00 0.09 0.00 0.00 58.65 57.93 2kg2 h GLN 120 Cb 1.30 -0.06 -0.05 0.00 0.08 0.00 0.00 27.48 28.75 2kg2 h GLN 120 CO 0.61 0.18 -0.40 0.43 0.09 0.00 0.00 178.83 179.74 2kg2 n SER 121 N -4.86 -4.88 0.00 0.06 7.64 -1.26 -0.67 113.62 109.64 2kg2 n SER 121 Ca 0.32 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2kg2 n SER 121 Cb 1.08 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 2kg2 n SER 121 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2kg2 n MET 122 N -2.68 -1.05 -0.05 1.43 0.00 -1.26 -4.78 117.12 108.73 2kg2 n MET 122 Ca -0.19 0.26 -0.08 0.00 0.00 0.00 0.00 57.70 57.69 2kg2 n MET 122 Cb 0.63 -4.42 -0.14 0.00 0.00 0.00 0.00 33.22 29.28 2kg2 n MET 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kg2 n LEU 123 N 0.00 0.53 -0.89 4.03 4.77 0.15 -5.32 117.00 120.28 2kg2 n LEU 123 Ca 0.00 0.25 0.11 0.00 -0.03 0.00 0.00 56.01 56.34 2kg2 n LEU 123 Cb 0.26 0.28 0.09 0.00 -2.33 0.00 0.00 43.42 41.72 2kg2 n LEU 123 CO 0.00 0.40 0.60 -1.20 -1.33 0.00 0.00 177.39 175.86