#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 -0.03 -0.46 1.61 1.04 -1.26 -5.12 113.70 109.49 2kg2 s SER 2 Ca 0.00 -0.62 -0.20 0.00 0.48 0.00 0.00 55.95 55.61 2kg2 s SER 2 Cb 0.00 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.58 2kg2 s SER 2 CO 0.00 -0.84 0.61 -0.47 0.98 0.00 0.00 173.24 173.52 2kg2 s TYR 3 N -3.88 3.07 -0.45 5.02 5.04 -1.26 -5.01 117.35 119.88 2kg2 s TYR 3 Ca 0.09 -0.24 -0.13 0.00 -2.44 0.00 0.00 57.07 54.34 2kg2 s TYR 3 Cb 0.03 -3.34 0.07 0.00 0.35 0.00 0.00 41.96 39.07 2kg2 s TYR 3 CO -0.07 -0.90 0.33 0.42 -1.34 0.00 0.00 175.55 174.00 2kg2 s ILE 4 N 2.68 4.87 1.04 3.14 -1.09 -1.26 -5.08 121.20 125.50 2kg2 s ILE 4 Ca 0.19 -1.14 -0.14 0.00 -2.23 0.00 0.00 60.65 57.33 2kg2 s ILE 4 Cb -0.16 -3.91 0.21 0.00 -1.58 0.00 0.00 42.46 37.02 2kg2 s ILE 4 CO 0.16 -0.52 1.11 -2.16 -1.23 0.00 0.00 174.94 172.30 2kg2 s PRO 5 N 1.57 0.11 -0.25 2.79 0.04 -1.26 -4.92 135.00 133.07 2kg2 s PRO 5 Ca 0.04 0.32 -0.01 0.00 0.04 0.00 0.00 61.00 61.39 2kg2 s PRO 5 Cb -0.23 -1.72 0.18 0.00 0.04 0.00 0.00 34.50 32.77 2kg2 s PRO 5 CO 0.05 -2.90 1.97 0.41 0.04 0.00 0.00 177.00 176.57 2kg2 n GLY 6 N -1.26 3.75 3.70 0.56 0.00 -1.26 -4.90 105.19 105.78 2kg2 n GLY 6 Ca 0.07 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.46 4.49 0.01 1.61 0.74 -1.26 -4.88 119.66 118.91 2kg2 s GLN 7 Ca 0.25 1.51 -0.15 0.00 0.05 0.00 0.00 55.36 57.01 2kg2 s GLN 7 Cb 0.20 -3.46 -0.08 0.00 1.10 0.00 0.00 33.01 30.76 2kg2 s GLN 7 CO -0.00 -0.18 1.01 -1.00 -0.55 0.00 0.00 175.29 174.57 2kg2 h PRO 8 N 6.92 -0.53 0.00 1.67 0.13 -1.91 -3.47 132.00 134.81 2kg2 h PRO 8 Ca -0.39 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2kg2 h PRO 8 Cb 1.20 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2kg2 h PRO 8 CO 0.79 -0.35 0.00 1.33 -0.23 0.00 0.00 178.00 179.54 2kg2 n VAL 9 N -3.80 0.00 -0.02 1.56 0.24 -1.26 -5.02 118.33 110.03 2kg2 n VAL 9 Ca -0.07 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.18 2kg2 n VAL 9 Cb 0.22 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.65 0.43 -1.82 3.34 5.66 -1.26 -5.01 114.28 113.96 2kg2 n THR 10 Ca 0.00 -0.01 -0.42 0.00 -3.05 0.00 0.00 64.05 60.57 2kg2 n THR 10 Cb 0.00 -1.59 -0.02 0.00 -1.55 0.00 0.00 70.33 67.16 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 -2.11 3.79 -0.20 1.79 0.00 -1.25 -4.94 121.76 118.84 2kg2 s ALA 11 Ca -0.07 1.51 -0.09 0.00 0.00 0.00 0.00 51.96 53.31 2kg2 s ALA 11 Cb 0.03 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 2kg2 s ALA 11 CO 0.09 -0.90 0.11 0.08 0.00 0.00 0.00 175.76 175.14 2kg2 s VAL 12 N 0.53 5.13 -0.17 0.00 1.01 -1.24 -4.11 120.40 121.55 2kg2 s VAL 12 Ca 0.67 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.72 2kg2 s VAL 12 Cb -0.47 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2kg2 s VAL 12 CO 0.40 0.43 -0.08 0.54 0.00 0.00 0.00 175.10 176.39 2kg2 s VAL 13 N 0.51 3.36 0.04 2.92 0.11 -1.26 -0.53 120.40 125.57 2kg2 s VAL 13 Ca 0.06 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 2kg2 s VAL 13 Cb -0.12 -2.47 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 2kg2 s VAL 13 CO 0.00 0.48 -0.06 0.00 -3.33 0.00 0.00 175.10 172.20 2kg2 s GLN 14 N 0.74 0.51 0.18 1.54 1.03 0.04 -4.85 119.66 118.86 2kg2 s GLN 14 Ca -0.03 -0.84 -0.06 0.00 0.04 0.00 0.00 55.36 54.46 2kg2 s GLN 14 Cb -0.15 -0.10 -0.06 0.00 0.03 0.00 0.00 33.01 32.73 2kg2 s GLN 14 CO 0.02 -0.01 0.44 -0.98 -2.54 0.00 0.00 175.29 172.22 2kg2 s ARG 15 N -2.12 3.68 0.17 9.60 1.04 -1.26 -0.45 118.95 129.61 2kg2 s ARG 15 Ca -0.07 0.03 0.08 0.00 -1.04 0.00 0.00 55.73 54.73 2kg2 s ARG 15 Cb -0.06 -2.77 -0.04 0.00 -2.04 0.00 0.00 34.95 30.04 2kg2 s ARG 15 CO -0.02 0.40 -0.17 0.08 -0.04 0.00 0.00 175.30 175.55 2kg2 s VAL 16 N -1.75 1.77 -0.23 4.99 1.01 0.19 -4.91 120.40 121.48 2kg2 s VAL 16 Ca 0.43 -1.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.38 2kg2 s VAL 16 Cb -0.12 -1.88 0.09 0.00 0.00 0.00 0.00 36.38 34.47 2kg2 s VAL 16 CO 0.24 -0.40 0.15 -0.70 0.00 0.00 0.00 175.10 174.39 2kg2 s GLU 17 N -3.03 0.16 -0.19 2.72 2.12 -1.26 -0.37 118.70 118.85 2kg2 s GLU 17 Ca 0.17 -0.17 -0.13 0.00 0.36 0.00 0.00 54.97 55.20 2kg2 s GLU 17 Cb -0.04 -1.36 -0.05 0.00 0.26 0.00 0.00 34.13 32.94 2kg2 s GLU 17 CO 0.07 -0.82 0.27 0.42 -0.54 0.00 0.00 175.26 174.66 2kg2 s ILE 18 N 2.19 5.31 -0.10 -3.70 1.09 -0.20 -4.59 121.20 121.20 2kg2 s ILE 18 Ca 0.06 0.47 -0.10 0.00 -1.10 0.00 0.00 60.65 59.98 2kg2 s ILE 18 Cb -0.16 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.59 2kg2 s ILE 18 CO -0.21 0.36 0.23 -1.00 -0.10 0.00 0.00 174.94 174.22 2kg2 s HIS 19 N 0.73 3.59 -0.35 3.97 3.76 -1.26 -0.60 115.29 125.13 2kg2 s HIS 19 Ca 0.14 0.64 -0.37 0.00 -0.15 0.00 0.00 55.06 55.32 2kg2 s HIS 19 Cb -0.13 -2.11 -0.16 0.00 1.11 0.00 0.00 32.58 31.29 2kg2 s HIS 19 CO 0.04 0.60 1.23 0.36 -0.85 0.00 0.00 174.74 176.12 2kg2 n LYS 20 N 2.33 0.00 -4.76 1.40 2.85 -0.91 -4.73 118.16 114.33 2kg2 n LYS 20 Ca -0.17 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.81 2kg2 n LYS 20 Cb 0.54 -1.21 -0.17 0.00 -0.65 0.00 0.00 35.03 33.54 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 2.09 1.83 -0.13 -5.58 2.96 -1.20 -5.05 118.68 113.61 2kg2 s LEU 21 Ca 0.83 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 54.17 2kg2 s LEU 21 Cb -1.18 -1.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 2kg2 s LEU 21 CO 0.63 0.07 0.30 -0.13 -1.32 0.00 0.00 176.35 175.90 2kg2 s ARG 22 N 0.65 4.10 -0.26 1.98 0.52 -1.26 -0.26 118.95 124.43 2kg2 s ARG 22 Ca -0.14 0.13 0.02 0.00 -0.52 0.00 0.00 55.73 55.22 2kg2 s ARG 22 Cb -0.16 -3.36 0.07 0.00 0.52 0.00 0.00 34.95 32.01 2kg2 s ARG 22 CO 0.04 0.38 -0.05 -0.65 0.02 0.00 0.00 175.30 175.04 2kg2 s GLN 23 N 0.04 1.72 4.77 3.54 -0.21 0.47 -4.92 119.66 125.07 2kg2 s GLN 23 Ca 0.18 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.34 2kg2 s GLN 23 Cb -0.13 -2.72 0.00 0.00 1.00 0.00 0.00 33.01 31.15 2kg2 s GLN 23 CO 0.05 -0.66 0.00 0.41 -2.12 0.00 0.00 175.29 172.98 2kg2 n GLY 24 N 4.56 1.33 0.02 3.09 0.00 -1.26 -1.46 105.19 111.48 2kg2 n GLY 24 Ca -0.10 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 2.54 -4.47 1.61 1.02 -1.26 -5.02 120.64 115.05 2kg2 n GLU 25 Ca 0.00 -1.80 -0.23 0.00 -0.02 0.00 0.00 57.16 55.12 2kg2 n GLU 25 Cb 0.00 -1.14 -0.11 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.51 2.87 -0.23 1.62 0.01 -0.53 -5.12 114.94 112.05 2kg2 s ASN 26 Ca 0.09 -1.28 -0.03 0.00 -0.71 0.00 0.00 52.86 50.93 2kg2 s ASN 26 Cb 0.08 -0.19 0.01 0.00 0.41 0.00 0.00 41.25 41.55 2kg2 s ASN 26 CO 0.01 -0.44 -0.06 -0.22 -1.51 0.00 0.00 177.10 174.87 2kg2 s LEU 27 N -3.51 2.92 0.08 0.60 1.98 -1.26 -0.40 118.68 119.09 2kg2 s LEU 27 Ca 0.33 -0.58 0.03 0.00 -2.89 0.00 0.00 54.13 51.02 2kg2 s LEU 27 Cb 0.06 -1.69 -0.03 0.00 0.66 0.00 0.00 46.19 45.19 2kg2 s LEU 27 CO 0.14 -0.06 -0.09 -0.63 -1.89 0.00 0.00 176.35 173.83 2kg2 s ILE 28 N 1.41 0.76 -2.00 6.68 1.01 0.64 -4.42 121.20 125.29 2kg2 s ILE 28 Ca 0.04 -1.49 0.24 0.00 0.00 0.00 0.00 60.65 59.44 2kg2 s ILE 28 Cb -0.15 -1.15 0.68 0.00 0.01 0.00 0.00 42.46 41.85 2kg2 s ILE 28 CO -0.05 -0.54 1.90 0.18 0.00 0.00 0.00 174.94 176.43 2kg2 n LEU 29 N 0.79 0.00 0.00 2.97 4.77 -1.24 -3.21 117.00 121.08 2kg2 n LEU 29 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2kg2 n LEU 29 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2kg2 n LEU 29 CO 0.25 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2kg2 n GLY 30 N 0.83 2.63 3.94 -0.72 0.00 -1.26 -3.79 105.19 106.82 2kg2 n GLY 30 Ca 0.18 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.41 3.23 0.34 1.61 -0.71 -1.26 -3.20 117.98 117.58 2kg2 s PHE 31 Ca 0.00 0.38 0.09 0.00 -1.04 0.00 0.00 56.93 56.36 2kg2 s PHE 31 Cb 0.00 -2.47 -0.05 0.00 -1.21 0.00 0.00 43.02 39.29 2kg2 s PHE 31 CO 0.00 -0.53 0.04 -1.12 -1.34 0.00 0.00 175.22 172.27 2kg2 s SER 32 N -4.25 4.30 0.30 1.98 0.01 0.22 -4.91 113.70 111.35 2kg2 s SER 32 Ca 0.50 -0.94 0.06 0.00 1.31 0.00 0.00 55.95 56.88 2kg2 s SER 32 Cb -0.10 -0.58 -0.06 0.00 0.21 0.00 0.00 66.02 65.49 2kg2 s SER 32 CO 0.41 -0.25 -0.02 0.27 0.41 0.00 0.00 173.24 174.06 2kg2 s ILE 33 N -2.50 1.53 -0.11 1.44 -4.36 -1.26 -1.12 121.20 114.82 2kg2 s ILE 33 Ca 0.35 -2.08 0.09 0.00 -0.26 0.00 0.00 60.65 58.76 2kg2 s ILE 33 Cb -0.01 -2.58 -0.13 0.00 1.25 0.00 0.00 42.46 40.99 2kg2 s ILE 33 CO 0.20 -0.20 0.02 0.61 0.24 0.00 0.00 174.94 175.82 2kg2 n GLY 34 N -0.64 -0.51 0.00 6.27 0.00 0.13 -4.57 105.19 105.87 2kg2 n GLY 34 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 2.36 3.42 0.00 -0.02 0.00 -1.26 -4.92 105.19 104.77 2kg2 n GLY 35 Ca -0.19 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.07 0.52 0.28 -0.02 0.00 -1.21 -4.29 105.19 99.41 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 0.45 0.00 -0.61 -2.65 -1.83 -1.32 117.51 111.54 2kg2 h ILE 37 Ca 0.00 -0.38 -0.00 0.00 1.03 0.00 0.00 64.86 65.51 2kg2 h ILE 37 Cb 0.00 1.26 -0.00 0.00 -2.05 0.00 0.00 36.82 36.03 2kg2 h ILE 37 CO 0.00 0.07 -0.02 -0.78 0.03 0.00 0.00 178.15 177.45 2kg2 h ASP 38 N 0.00 0.00 -2.42 2.16 1.82 -1.90 -3.43 116.42 112.64 2kg2 h ASP 38 Ca -0.00 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.12 2kg2 h ASP 38 Cb 0.25 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.24 2kg2 h ASP 38 CO 0.01 0.02 -0.47 -1.10 -1.61 0.00 0.00 179.24 176.09 2kg2 s GLN 39 N -3.74 3.35 -0.34 0.28 -1.52 -0.50 -5.05 119.66 112.14 2kg2 s GLN 39 Ca 0.00 -0.71 -0.12 0.00 -1.95 0.00 0.00 55.36 52.58 2kg2 s GLN 39 Cb 0.10 -2.88 -0.01 0.00 -0.22 0.00 0.00 33.01 30.00 2kg2 s GLN 39 CO 0.54 0.48 0.22 0.34 -0.25 0.00 0.00 175.29 176.62 2kg2 s ASP 40 N -3.51 5.92 0.59 5.90 -1.08 -1.26 -4.91 116.67 118.33 2kg2 s ASP 40 Ca 0.34 -0.52 0.29 0.00 -0.52 0.00 0.00 52.55 52.13 2kg2 s ASP 40 Cb -0.10 -2.10 1.47 0.00 -1.46 0.00 0.00 42.92 40.73 2kg2 s ASP 40 CO 0.28 -0.25 1.89 1.55 0.52 0.00 0.00 175.17 179.15 2kg2 h PRO 41 N 8.47 0.00 0.00 4.34 0.13 -1.88 0.16 132.00 143.22 2kg2 h PRO 41 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kg2 h PRO 41 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kg2 h PRO 41 CO 0.64 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.84 2kg2 n SER 42 N -3.67 0.00 -0.12 1.44 7.64 -1.26 -3.04 113.62 114.61 2kg2 n SER 42 Ca 0.08 0.32 0.01 0.00 1.01 0.00 0.00 58.87 60.29 2kg2 n SER 42 Cb 0.67 -0.43 0.01 0.00 -1.01 0.00 0.00 64.21 63.45 2kg2 n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg2 n GLN 43 N -1.43 0.59 -3.80 1.43 10.64 0.50 -5.07 117.38 120.24 2kg2 n GLN 43 Ca 0.08 -0.94 -0.31 0.00 -1.83 0.00 0.00 57.00 54.00 2kg2 n GLN 43 Cb 0.25 -0.66 -0.04 0.00 -0.86 0.00 0.00 30.24 28.93 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 -0.61 6.42 -0.01 2.61 0.01 -0.82 -4.95 114.94 117.58 2kg2 s ASN 44 Ca 0.02 0.41 -0.22 0.00 -0.71 0.00 0.00 52.86 52.37 2kg2 s ASN 44 Cb 0.02 -2.02 -0.22 0.00 0.41 0.00 0.00 41.25 39.44 2kg2 s ASN 44 CO 0.00 0.10 1.10 1.55 -1.51 0.00 0.00 177.10 178.35 2kg2 h PRO 45 N 2.87 0.32 -0.21 -0.60 0.13 -1.92 -3.26 132.00 129.33 2kg2 h PRO 45 Ca -0.46 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 2kg2 h PRO 45 Cb 1.16 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kg2 h PRO 45 CO 0.74 0.99 0.00 1.19 -0.23 0.00 0.00 178.00 180.69 2kg2 n PHE 46 N -4.36 0.29 0.75 1.56 3.72 -1.26 -4.22 117.46 113.93 2kg2 n PHE 46 Ca -0.10 -0.48 0.08 0.00 -0.05 0.00 0.00 57.45 56.91 2kg2 n PHE 46 Cb 0.57 -0.03 -0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 0.17 1.66 -0.14 4.37 2.88 -1.26 -4.28 113.62 117.02 2kg2 n SER 47 Ca 0.07 -1.33 0.12 0.00 -1.33 0.00 0.00 58.87 56.40 2kg2 n SER 47 Cb 0.36 0.48 0.62 0.00 -0.75 0.00 0.00 64.21 64.91 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 -0.13 1.18 -0.23 -1.46 0.28 -1.23 -3.38 120.64 115.68 2kg2 n GLU 48 Ca 0.07 -0.27 0.04 0.00 -0.16 0.00 0.00 57.16 56.83 2kg2 n GLU 48 Cb 0.35 -1.38 0.28 0.00 1.43 0.00 0.00 31.44 32.13 2kg2 n GLU 48 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2kg2 h ASP 49 N 0.59 0.80 0.00 -1.84 3.58 -1.87 -3.45 116.42 114.23 2kg2 h ASP 49 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kg2 h ASP 49 Cb 0.13 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2kg2 h ASP 49 CO 0.00 0.54 0.00 2.29 -2.88 0.00 0.00 179.24 179.19 2kg2 n LYS 50 N -4.46 0.00 -0.35 0.28 0.00 -1.22 -5.01 118.16 107.40 2kg2 n LYS 50 Ca 0.11 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.44 2kg2 n LYS 50 Cb 0.15 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.22 2kg2 n LYS 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2kg2 n THR 51 N 0.00 0.51 -3.12 0.58 -2.24 -1.26 -4.82 114.28 103.93 2kg2 n THR 51 Ca 0.00 -0.61 -0.39 0.00 -2.27 0.00 0.00 64.05 60.78 2kg2 n THR 51 Cb 0.00 0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 2kg2 n THR 51 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kg2 s ASP 52 N -1.44 7.10 0.64 3.42 -4.77 -1.26 -4.83 116.67 115.54 2kg2 s ASP 52 Ca 0.08 1.31 0.02 0.00 -3.30 0.00 0.00 52.55 50.67 2kg2 s ASP 52 Cb 0.07 -2.41 0.10 0.00 -1.09 0.00 0.00 42.92 39.59 2kg2 s ASP 52 CO 0.01 0.10 0.89 -0.54 0.70 0.00 0.00 175.17 176.33 2kg2 s LYS 53 N -0.33 2.02 0.00 2.11 -0.14 -1.26 -4.74 119.74 117.39 2kg2 s LYS 53 Ca 0.34 -1.19 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 2kg2 s LYS 53 Cb -0.20 -2.45 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 2kg2 s LYS 53 CO 0.20 -1.13 0.00 0.41 -0.76 0.00 0.00 175.35 174.07 2kg2 n GLY 54 N -2.57 4.38 3.65 -3.33 0.00 -1.26 -4.92 105.19 101.14 2kg2 n GLY 54 Ca 0.14 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.06 4.63 0.21 -0.61 -1.09 -1.24 -3.28 121.20 117.76 2kg2 s ILE 55 Ca 0.00 1.81 0.11 0.00 -2.23 0.00 0.00 60.65 60.34 2kg2 s ILE 55 Cb 0.00 -4.32 -0.05 0.00 -1.58 0.00 0.00 42.46 36.51 2kg2 s ILE 55 CO 0.00 -0.29 -0.22 -0.72 -1.23 0.00 0.00 174.94 172.47 2kg2 s TYR 56 N 3.33 2.23 0.02 3.97 -0.85 -1.26 -0.35 117.35 124.44 2kg2 s TYR 56 Ca 0.43 -0.37 -0.28 0.00 -0.52 0.00 0.00 57.07 56.33 2kg2 s TYR 56 Cb -0.14 -1.07 -0.04 0.00 0.38 0.00 0.00 41.96 41.09 2kg2 s TYR 56 CO 0.10 0.53 0.91 0.54 -1.52 0.00 0.00 175.55 176.11 2kg2 s VAL 57 N -1.92 4.80 -0.08 -3.49 0.11 -0.53 -0.70 120.40 118.59 2kg2 s VAL 57 Ca 0.22 1.92 0.15 0.00 -2.93 0.00 0.00 61.98 61.34 2kg2 s VAL 57 Cb -0.07 -4.25 -0.22 0.00 -1.53 0.00 0.00 36.38 30.31 2kg2 s VAL 57 CO 0.11 0.23 0.35 0.35 -3.33 0.00 0.00 175.10 172.81 2kg2 n THR 58 N 3.50 0.00 -3.69 5.04 -2.24 -0.28 -1.08 114.28 115.54 2kg2 n THR 58 Ca 0.03 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 2kg2 n THR 58 Cb 0.51 0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.89 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 -2.96 0.58 0.45 -0.78 0.52 -1.23 -4.86 118.95 110.66 2kg2 s ARG 59 Ca -0.04 0.83 0.07 0.00 -0.52 0.00 0.00 55.73 56.06 2kg2 s ARG 59 Cb 0.10 0.19 0.07 0.00 0.52 0.00 0.00 34.95 35.83 2kg2 s ARG 59 CO 0.61 -0.11 0.60 1.33 0.02 0.00 0.00 175.30 177.75 2kg2 n VAL 60 N 3.40 0.00 -2.49 3.52 0.24 -1.26 0.71 118.33 122.46 2kg2 n VAL 60 Ca -0.17 -1.50 -0.43 0.00 -2.04 0.00 0.00 64.34 60.20 2kg2 n VAL 60 Cb 0.56 -0.60 -0.02 0.00 -1.47 0.00 0.00 33.84 32.31 2kg2 n VAL 60 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2kg2 s SER 61 N -3.75 7.03 0.57 -1.34 0.15 -1.19 -4.60 113.70 110.56 2kg2 s SER 61 Ca 0.46 1.69 0.36 0.00 0.70 0.00 0.00 55.95 59.15 2kg2 s SER 61 Cb -0.04 -2.55 1.94 0.00 -1.71 0.00 0.00 66.02 63.67 2kg2 s SER 61 CO 0.29 -0.66 2.09 1.05 1.20 0.00 0.00 173.24 177.21 2kg2 h GLU 62 N 7.75 0.00 0.00 5.44 4.11 -1.96 -3.13 114.58 126.78 2kg2 h GLU 62 Ca -0.29 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.01 2kg2 h GLU 62 Cb 1.12 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.27 2kg2 h GLU 62 CO 0.93 0.00 -0.10 0.41 0.07 0.00 0.00 179.01 180.31 2kg2 n GLY 63 N -1.16 0.46 0.00 1.06 0.00 -1.26 -5.06 105.19 99.23 2kg2 n GLY 63 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.68 4.43 0.27 -0.02 0.00 -1.18 -5.02 105.19 102.99 2kg2 n GLY 64 Ca -0.14 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.11 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 0.24 0.66 1.61 0.13 -1.85 -1.42 132.00 131.37 2kg2 h PRO 65 Ca 0.00 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 2kg2 h PRO 65 Cb 0.00 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.07 2kg2 h PRO 65 CO 0.00 0.23 -0.49 0.00 -0.23 0.00 0.00 178.00 177.51 2kg2 h ALA 66 N 1.81 -1.22 -0.00 -0.56 0.00 -1.86 0.17 119.26 117.59 2kg2 h ALA 66 Ca 0.06 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2kg2 h ALA 66 Cb 0.11 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2kg2 h ALA 66 CO -0.00 -1.21 -0.56 1.05 0.00 0.00 0.00 179.25 178.53 2kg2 h GLU 67 N -1.11 0.01 -0.75 0.00 4.11 -1.57 0.20 114.58 115.47 2kg2 h GLU 67 Ca -0.09 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.30 2kg2 h GLU 67 Cb 0.92 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 2kg2 h GLU 67 CO 0.03 0.57 0.35 0.82 0.07 0.00 0.00 179.01 180.85 2kg2 h ILE 68 N 0.01 1.25 0.07 -1.06 1.08 -1.07 -3.25 117.51 114.54 2kg2 h ILE 68 Ca -0.01 -0.71 -0.00 0.00 -0.39 0.00 0.00 64.86 63.75 2kg2 h ILE 68 Cb 0.99 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2kg2 h ILE 68 CO 0.07 0.30 -0.03 0.00 -0.69 0.00 0.00 178.15 177.80 2kg2 h ALA 69 N 1.17 -0.10 0.00 1.87 0.00 -0.54 -3.49 119.26 118.19 2kg2 h ALA 69 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kg2 h ALA 69 Cb 0.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kg2 h ALA 69 CO -0.03 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.53 2kg2 n GLY 70 N 1.39 0.00 3.63 0.00 0.00 -0.47 -4.85 105.19 104.90 2kg2 n GLY 70 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 4.07 -0.03 0.99 2.96 0.58 -4.98 118.68 122.27 2kg2 s LEU 71 Ca 0.00 0.79 0.05 0.00 -0.22 0.00 0.00 54.13 54.75 2kg2 s LEU 71 Cb 0.00 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 2kg2 s LEU 71 CO 0.00 -0.44 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.32 2kg2 s GLN 72 N 2.66 2.37 -0.02 1.98 -1.52 -1.26 -3.96 119.66 119.91 2kg2 s GLN 72 Ca 0.29 -0.78 -0.37 0.00 -1.95 0.00 0.00 55.36 52.55 2kg2 s GLN 72 Cb -0.15 -2.30 -0.16 0.00 -0.22 0.00 0.00 33.01 30.18 2kg2 s GLN 72 CO 0.09 0.60 1.52 -0.89 -0.25 0.00 0.00 175.29 176.36 2kg2 n ILE 73 N 2.18 0.13 0.00 1.08 5.41 -1.26 -1.64 119.36 125.25 2kg2 n ILE 73 Ca -0.17 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2kg2 n ILE 73 Cb 0.52 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.35 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 3.23 0.53 3.72 7.39 0.00 -0.25 -5.02 105.19 114.79 2kg2 n GLY 74 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.63 7.39 -0.46 1.61 1.01 -0.65 -4.85 116.67 118.09 2kg2 s ASP 75 Ca 0.00 1.67 -0.19 0.00 0.71 0.00 0.00 52.55 54.74 2kg2 s ASP 75 Cb 0.00 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.40 2kg2 s ASP 75 CO 0.00 -0.17 0.57 -0.54 0.21 0.00 0.00 175.17 175.24 2kg2 s LYS 76 N 0.58 3.16 -0.09 8.23 1.02 -1.03 -1.46 119.74 130.15 2kg2 s LYS 76 Ca 0.49 -0.70 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 2kg2 s LYS 76 Cb -0.22 -4.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.06 2kg2 s LYS 76 CO 0.28 -1.05 1.05 0.42 -0.92 0.00 0.00 175.35 175.13 2kg2 s ILE 77 N 2.53 4.66 -0.44 2.17 1.09 0.53 -0.26 121.20 131.48 2kg2 s ILE 77 Ca 0.16 1.93 0.08 0.00 -1.10 0.00 0.00 60.65 61.72 2kg2 s ILE 77 Cb -0.17 -4.24 -0.06 0.00 -1.06 0.00 0.00 42.46 36.92 2kg2 s ILE 77 CO 0.14 0.01 0.38 0.23 -0.10 0.00 0.00 174.94 175.60 2kg2 n MET 78 N 4.97 3.99 -3.67 2.79 2.81 0.63 -3.91 117.12 124.73 2kg2 n MET 78 Ca 0.09 -0.12 -0.12 0.00 -1.81 0.00 0.00 57.70 55.74 2kg2 n MET 78 Cb 0.48 -0.89 -0.08 0.00 -0.71 0.00 0.00 33.22 32.01 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 -1.60 0.65 -0.13 0.03 -0.44 -1.06 -0.46 119.66 116.65 2kg2 s GLN 79 Ca 0.04 0.91 -0.04 0.00 -2.50 0.00 0.00 55.36 53.77 2kg2 s GLN 79 Cb 0.06 0.24 0.06 0.00 -1.64 0.00 0.00 33.01 31.72 2kg2 s GLN 79 CO 0.29 -0.11 0.15 0.08 0.50 0.00 0.00 175.29 176.19 2kg2 s VAL 80 N 0.79 -0.22 -1.18 1.34 1.01 0.20 -0.06 120.40 122.28 2kg2 s VAL 80 Ca -0.04 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 2kg2 s VAL 80 Cb -0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2kg2 s VAL 80 CO -0.06 -0.04 0.74 -3.20 0.00 0.00 0.00 175.10 172.54 2kg2 n ASN 81 N 5.31 -4.38 0.00 3.32 2.85 0.77 -0.97 115.26 122.16 2kg2 n ASN 81 Ca -0.05 -0.99 0.00 0.00 -0.11 0.00 0.00 54.58 53.43 2kg2 n ASN 81 Cb 0.50 -3.48 0.00 0.00 1.24 0.00 0.00 39.78 38.03 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 -1.69 2.04 3.91 8.20 0.00 -1.26 -4.96 105.19 111.43 2kg2 n GLY 82 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 2kg2 n GLY 82 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kg2 s TRP 83 N -1.03 3.50 -0.04 1.61 -0.11 -0.14 -5.07 118.94 117.65 2kg2 s TRP 83 Ca 0.00 0.67 -0.18 0.00 1.22 0.00 0.00 56.10 57.80 2kg2 s TRP 83 Cb 0.00 -2.14 -0.05 0.00 -1.50 0.00 0.00 33.47 29.78 2kg2 s TRP 83 CO 0.00 0.03 0.51 0.16 -4.62 0.00 0.00 176.95 173.03 2kg2 s ASP 84 N -3.56 6.84 0.00 5.86 1.47 -1.26 0.62 116.67 126.64 2kg2 s ASP 84 Ca 0.45 1.00 0.08 0.00 1.18 0.00 0.00 52.55 55.26 2kg2 s ASP 84 Cb -0.10 -2.31 0.09 0.00 -0.34 0.00 0.00 42.92 40.26 2kg2 s ASP 84 CO 0.35 0.12 0.83 0.80 0.68 0.00 0.00 175.17 177.94 2kg2 n MET 85 N 2.85 0.58 -0.09 2.11 1.56 0.39 -4.67 117.12 119.86 2kg2 n MET 85 Ca -0.08 -1.14 0.01 0.00 -0.27 0.00 0.00 57.70 56.22 2kg2 n MET 85 Cb 0.51 -1.16 0.31 0.00 2.15 0.00 0.00 33.22 35.03 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 1.60 1.17 -2.63 1.12 1.03 -1.40 -3.30 112.91 110.49 2kg2 h THR 86 Ca 0.00 -0.43 -0.58 0.00 -0.01 0.00 0.00 66.41 65.40 2kg2 h THR 86 Cb 0.39 0.45 -0.39 0.00 -1.07 0.00 0.00 68.15 67.54 2kg2 h THR 86 CO 0.00 0.19 -0.84 -0.32 -0.01 0.00 0.00 175.52 174.54 2kg2 s MET 87 N -5.49 0.53 -0.02 0.00 -2.45 -1.26 -4.23 119.30 106.38 2kg2 s MET 87 Ca -0.09 -1.26 -0.26 0.00 -1.25 0.00 0.00 55.69 52.83 2kg2 s MET 87 Cb 0.17 -1.33 0.06 0.00 1.25 0.00 0.00 34.83 34.98 2kg2 s MET 87 CO 0.76 -1.18 0.57 0.54 1.05 0.00 0.00 175.02 176.76 2kg2 s VAL 88 N 1.17 0.02 0.69 10.11 0.11 -1.26 -5.06 120.40 126.18 2kg2 s VAL 88 Ca 0.17 -0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 2kg2 s VAL 88 Cb -0.22 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 2kg2 s VAL 88 CO -0.04 -0.08 1.09 0.42 -3.33 0.00 0.00 175.10 173.16 2kg2 s THR 89 N -1.50 3.46 0.21 5.04 -4.23 -1.26 -3.73 115.64 113.64 2kg2 s THR 89 Ca -0.10 0.58 -0.09 0.00 -1.18 0.00 0.00 61.69 60.91 2kg2 s THR 89 Cb -0.01 -3.12 0.16 0.00 1.34 0.00 0.00 72.50 70.86 2kg2 s THR 89 CO 0.06 -0.51 1.75 -0.74 -0.54 0.00 0.00 174.62 174.64 2kg2 h HIS 90 N -0.37 0.46 -0.15 3.99 2.76 -1.91 -0.23 115.15 119.70 2kg2 h HIS 90 Ca -0.45 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.74 2kg2 h HIS 90 Cb 1.23 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 2kg2 h HIS 90 CO 0.57 0.13 0.08 0.22 -1.30 0.00 0.00 177.93 177.63 2kg2 h ASP 91 N 0.46 0.19 0.49 3.26 1.82 -1.98 0.29 116.42 120.94 2kg2 h ASP 91 Ca 0.32 -0.09 -0.11 0.00 -0.39 0.00 0.00 57.03 56.77 2kg2 h ASP 91 Cb 0.39 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 2kg2 h ASP 91 CO -0.30 0.22 -0.52 1.56 -1.61 0.00 0.00 179.24 178.58 2kg2 h GLN 92 N 0.14 0.04 -0.18 0.28 7.50 -1.86 -1.33 115.11 119.69 2kg2 h GLN 92 Ca 0.05 -0.02 -0.14 0.00 0.50 0.00 0.00 58.65 59.04 2kg2 h GLN 92 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.61 2kg2 h GLN 92 CO -0.01 0.55 -0.44 0.00 -1.50 0.00 0.00 178.83 177.44 2kg2 h ALA 93 N 1.45 0.30 -0.78 3.87 0.00 -0.72 -3.10 119.26 120.28 2kg2 h ALA 93 Ca -0.00 -0.47 0.08 0.00 0.00 0.00 0.00 54.91 54.51 2kg2 h ALA 93 Cb 0.93 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 2kg2 h ALA 93 CO 0.07 0.43 0.45 0.00 0.00 0.00 0.00 179.25 180.20 2kg2 h ARG 94 N 0.29 0.77 -1.00 0.00 2.47 -0.05 0.12 114.38 116.99 2kg2 h ARG 94 Ca -0.00 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2kg2 h ARG 94 Cb 1.05 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.19 2kg2 h ARG 94 CO 0.10 0.51 0.01 1.17 0.56 0.00 0.00 179.97 182.31 2kg2 n LYS 95 N -4.73 1.03 0.00 0.04 3.00 -0.54 -0.62 118.16 116.35 2kg2 n LYS 95 Ca 0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2kg2 n LYS 95 Cb 0.22 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 34.10 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 0.35 0.00 -0.09 1.64 3.00 -0.02 -4.70 116.66 116.83 2kg2 n ARG 96 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.78 2kg2 n ARG 96 Cb 0.45 -0.34 -0.16 0.00 0.00 0.00 0.00 32.46 32.41 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 -1.84 0.00 -1.02 6.15 -0.00 0.21 -4.22 117.00 116.29 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 0.01 0.44 0.26 0.00 -0.00 0.00 0.00 43.42 44.12 2kg2 n LEU 97 CO 0.00 0.44 0.72 1.07 -0.00 0.00 0.00 177.39 179.62 2kg2 n THR 98 N -2.69 1.84 -0.78 1.47 5.66 0.21 -3.60 114.28 116.39 2kg2 n THR 98 Ca -0.30 -1.45 -0.30 0.00 -3.05 0.00 0.00 64.05 58.96 2kg2 n THR 98 Cb 1.09 0.05 0.25 0.00 -1.55 0.00 0.00 70.33 70.17 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 -2.07 -1.64 -0.02 1.09 -2.85 -0.99 -4.84 119.74 108.42 2kg2 s LYS 99 Ca 0.39 0.18 0.03 0.00 -1.00 0.00 0.00 55.97 55.56 2kg2 s LYS 99 Cb 0.28 -1.53 0.04 0.00 -2.06 0.00 0.00 37.83 34.56 2kg2 s LYS 99 CO 0.15 -4.04 0.88 2.89 0.10 0.00 0.00 175.35 175.33 2kg2 n ARG 100 N -5.04 1.64 -0.06 1.78 1.85 -1.26 -4.57 116.66 111.00 2kg2 n ARG 100 Ca 0.11 -1.33 -0.12 0.00 -1.00 0.00 0.00 57.85 55.51 2kg2 n ARG 100 Cb 0.59 -0.89 -0.14 0.00 -1.05 0.00 0.00 32.46 30.97 2kg2 n ARG 100 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2kg2 n SER 101 N -0.45 0.91 -4.38 2.89 7.64 -1.26 -4.87 113.62 114.10 2kg2 n SER 101 Ca 0.02 0.18 -0.36 0.00 1.01 0.00 0.00 58.87 59.72 2kg2 n SER 101 Cb 0.42 0.13 -0.13 0.00 -1.01 0.00 0.00 64.21 63.61 2kg2 n SER 101 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2kg2 s GLU 102 N -2.55 3.46 0.00 1.43 2.12 -1.26 -5.03 118.70 116.88 2kg2 s GLU 102 Ca -0.13 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 54.61 2kg2 s GLU 102 Cb 0.07 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2kg2 s GLU 102 CO 0.79 -0.23 0.00 -0.85 -0.54 0.00 0.00 175.26 174.43 2kg2 n GLU 103 N 4.86 0.00 -3.76 4.30 0.00 -1.26 -4.87 120.64 119.91 2kg2 n GLU 103 Ca -0.17 0.41 -0.36 0.00 0.00 0.00 0.00 57.16 57.04 2kg2 n GLU 103 Cb 0.51 -0.91 -0.07 0.00 0.00 0.00 0.00 31.44 30.97 2kg2 n GLU 103 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2kg2 s VAL 104 N -0.85 5.41 0.10 3.84 1.01 -1.26 -2.15 120.40 126.51 2kg2 s VAL 104 Ca 0.00 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.34 2kg2 s VAL 104 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2kg2 s VAL 104 CO 0.00 0.54 -0.14 0.68 0.00 0.00 0.00 175.10 176.17 2kg2 s VAL 105 N -0.47 1.27 -0.21 2.92 -7.23 0.23 -4.99 120.40 111.93 2kg2 s VAL 105 Ca 0.14 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2kg2 s VAL 105 Cb -0.12 -1.38 0.05 0.00 0.56 0.00 0.00 36.38 35.49 2kg2 s VAL 105 CO 0.03 -0.33 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.31 2kg2 s ARG 106 N -2.31 1.56 0.31 4.82 0.52 -1.26 -1.03 118.95 121.56 2kg2 s ARG 106 Ca 0.05 -0.78 0.10 0.00 -0.52 0.00 0.00 55.73 54.57 2kg2 s ARG 106 Cb -0.07 -2.35 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 2kg2 s ARG 106 CO 0.03 -0.52 -0.02 -0.51 0.02 0.00 0.00 175.30 174.30 2kg2 s LEU 107 N 1.50 3.01 -0.07 2.53 2.01 0.50 -0.16 118.68 128.00 2kg2 s LEU 107 Ca -0.03 -0.87 0.01 0.00 0.01 0.00 0.00 54.13 53.25 2kg2 s LEU 107 Cb -0.17 -1.46 0.02 0.00 0.01 0.00 0.00 46.19 44.59 2kg2 s LEU 107 CO -0.07 -0.12 -0.08 -0.76 1.01 0.00 0.00 176.35 176.32 2kg2 s LEU 108 N -3.68 1.40 0.13 1.79 1.02 0.91 0.54 118.68 120.79 2kg2 s LEU 108 Ca 0.33 -0.24 0.11 0.00 0.02 0.00 0.00 54.13 54.35 2kg2 s LEU 108 Cb -0.03 -0.69 -0.04 0.00 0.02 0.00 0.00 46.19 45.44 2kg2 s LEU 108 CO 0.19 -0.03 -0.25 0.68 0.02 0.00 0.00 176.35 176.96 2kg2 s VAL 109 N 1.01 2.40 0.08 -1.59 -7.23 0.40 -0.27 120.40 115.21 2kg2 s VAL 109 Ca -0.09 -1.72 0.09 0.00 -1.81 0.00 0.00 61.98 58.46 2kg2 s VAL 109 Cb -0.15 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2kg2 s VAL 109 CO -0.00 0.08 -0.24 0.42 -0.31 0.00 0.00 175.10 175.04 2kg2 s THR 110 N -1.12 2.37 -0.47 5.32 -4.23 0.64 -0.78 115.64 117.37 2kg2 s THR 110 Ca 0.15 -1.49 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 2kg2 s THR 110 Cb -0.10 -2.00 0.12 0.00 1.34 0.00 0.00 72.50 71.87 2kg2 s THR 110 CO 0.07 0.24 0.25 -0.13 -0.54 0.00 0.00 174.62 174.51 2kg2 s ARG 111 N -1.65 2.07 0.04 3.99 0.52 0.31 -2.48 118.95 121.76 2kg2 s ARG 111 Ca 0.14 -2.10 0.26 0.00 -0.52 0.00 0.00 55.73 53.51 2kg2 s ARG 111 Cb -0.10 -3.54 0.79 0.00 0.52 0.00 0.00 34.95 32.61 2kg2 s ARG 111 CO 0.05 -1.08 1.63 1.04 0.02 0.00 0.00 175.30 176.95 2kg2 n GLN 112 N 4.09 0.07 -0.02 3.54 1.13 -1.26 -3.21 117.38 121.73 2kg2 n GLN 112 Ca 0.02 0.03 0.08 0.00 -1.94 0.00 0.00 57.00 55.19 2kg2 n GLN 112 Cb 0.40 -1.56 0.41 0.00 0.11 0.00 0.00 30.24 29.60 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 -1.66 0.30 -4.15 1.08 3.41 -1.26 -4.20 113.62 107.14 2kg2 n SER 113 Ca 0.06 -1.59 -0.38 0.00 -0.26 0.00 0.00 58.87 56.70 2kg2 n SER 113 Cb 0.36 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 2kg2 n SER 113 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kg2 s LEU 114 N -1.45 5.66 0.00 1.04 2.96 -1.20 -4.88 118.68 120.82 2kg2 s LEU 114 Ca 0.23 -3.28 0.00 0.00 -0.22 0.00 0.00 54.13 50.86 2kg2 s LEU 114 Cb 0.11 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.85 2kg2 s LEU 114 CO 0.18 -0.30 0.00 0.00 -1.32 0.00 0.00 176.35 174.90 2kg2 n GLN 115 N 2.96 0.00 -1.49 1.98 6.02 -1.26 -3.83 117.38 121.77 2kg2 n GLN 115 Ca 0.16 0.07 -0.17 0.00 -0.01 0.00 0.00 57.00 57.05 2kg2 n GLN 115 Cb 0.39 -0.44 -0.07 0.00 1.02 0.00 0.00 30.24 31.14 2kg2 n GLN 115 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2kg2 n LYS 116 N -2.00 -1.47 -3.57 -1.09 4.76 -1.26 -4.74 118.16 108.78 2kg2 n LYS 116 Ca 0.00 1.05 -0.09 0.00 -2.87 0.00 0.00 58.31 56.40 2kg2 n LYS 116 Cb 0.00 -5.40 0.02 0.00 -1.84 0.00 0.00 35.03 27.82 2kg2 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kg2 n ALA 117 N 1.12 -1.53 -3.13 7.82 0.00 -1.26 -5.14 120.51 118.39 2kg2 n ALA 117 Ca -0.17 -1.19 0.03 0.00 0.00 0.00 0.00 53.44 52.11 2kg2 n ALA 117 Cb 0.60 0.95 -0.00 0.00 0.00 0.00 0.00 19.45 21.00 2kg2 n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kg2 s VAL 118 N -2.22 -0.82 -0.21 0.00 0.11 -1.26 -5.12 120.40 110.87 2kg2 s VAL 118 Ca 0.16 0.00 -0.37 0.00 -2.93 0.00 0.00 61.98 58.84 2kg2 s VAL 118 Cb -0.04 -0.46 -0.13 0.00 -1.53 0.00 0.00 36.38 34.21 2kg2 s VAL 118 CO 0.12 0.00 1.86 1.67 -3.33 0.00 0.00 175.10 175.42 2kg2 n GLN 119 N 4.87 1.57 -0.31 1.54 7.27 -1.26 -4.87 117.38 126.19 2kg2 n GLN 119 Ca 0.08 0.56 0.07 0.00 0.07 0.00 0.00 57.00 57.78 2kg2 n GLN 119 Cb 0.56 -2.38 0.20 0.00 2.41 0.00 0.00 30.24 31.04 2kg2 n GLN 119 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2kg2 n GLN 120 N 6.30 2.79 -1.23 3.69 6.02 -1.26 -4.91 117.38 128.78 2kg2 n GLN 120 Ca 0.27 -2.50 -0.08 0.00 -0.01 0.00 0.00 57.00 54.68 2kg2 n GLN 120 Cb 0.21 -1.59 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 2kg2 n GLN 120 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kg2 n SER 121 N -0.25 -4.53 -2.93 1.08 7.64 -1.26 -4.85 113.62 108.52 2kg2 n SER 121 Ca 0.17 0.20 0.04 0.00 1.01 0.00 0.00 58.87 60.28 2kg2 n SER 121 Cb 0.69 -2.73 0.00 0.00 -1.01 0.00 0.00 64.21 61.16 2kg2 n SER 121 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2kg2 s MET 122 N -2.38 0.08 -0.72 1.43 -2.45 -1.26 -5.10 119.30 108.89 2kg2 s MET 122 Ca 0.00 0.02 -0.03 0.00 -1.25 0.00 0.00 55.69 54.42 2kg2 s MET 122 Cb 0.00 0.02 0.18 0.00 1.25 0.00 0.00 34.83 36.28 2kg2 s MET 122 CO 0.00 -0.13 0.57 -1.17 1.05 0.00 0.00 175.02 175.34 2kg2 s LEU 123 N 2.48 5.44 0.00 4.11 2.96 -1.26 -5.07 118.68 127.34 2kg2 s LEU 123 Ca 0.23 -3.11 0.00 0.00 -0.22 0.00 0.00 54.13 51.03 2kg2 s LEU 123 Cb 0.02 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.81 2kg2 s LEU 123 CO -0.19 -0.33 0.00 -0.24 -1.32 0.00 0.00 176.35 174.27