#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 6.61 0.08 1.61 0.01 -1.26 -4.92 113.70 115.83 2kg2 s SER 2 Ca 0.00 1.12 -0.33 0.00 1.31 0.00 0.00 55.95 58.05 2kg2 s SER 2 Cb 0.00 -2.54 -0.17 0.00 0.21 0.00 0.00 66.02 63.52 2kg2 s SER 2 CO 0.00 -1.15 1.61 0.22 0.41 0.00 0.00 173.24 174.33 2kg2 h TYR 3 N 9.54 -0.98 -5.47 2.43 3.20 -2.09 -3.49 116.97 120.11 2kg2 h TYR 3 Ca -0.26 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.60 2kg2 h TYR 3 Cb 1.10 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.70 2kg2 h TYR 3 CO 0.90 -0.56 -1.04 -0.89 -1.64 0.00 0.00 178.16 174.93 2kg2 n ILE 4 N -5.51 -9.23 -2.03 1.81 2.08 -1.26 -4.92 119.36 100.30 2kg2 n ILE 4 Ca -0.13 1.59 -0.35 0.00 0.56 0.00 0.00 62.75 64.42 2kg2 n ILE 4 Cb 0.40 -5.70 0.03 0.00 -0.75 0.00 0.00 39.64 33.61 2kg2 n ILE 4 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2kg2 s PRO 5 N -1.22 3.03 -0.47 0.38 0.04 -1.26 -4.91 135.00 130.58 2kg2 s PRO 5 Ca -0.05 1.69 -0.00 0.00 0.04 0.00 0.00 61.00 62.68 2kg2 s PRO 5 Cb 0.00 -1.95 0.40 0.00 0.04 0.00 0.00 34.50 33.00 2kg2 s PRO 5 CO 0.56 -1.13 1.93 0.41 0.04 0.00 0.00 177.00 178.81 2kg2 n GLY 6 N 0.24 4.76 2.97 0.56 0.00 -1.26 -4.84 105.19 107.63 2kg2 n GLY 6 Ca 0.12 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.85 0.30 0.00 1.61 2.00 -1.26 -5.09 119.66 114.37 2kg2 s GLN 7 Ca 0.49 -0.48 0.00 0.00 -2.00 0.00 0.00 55.36 53.37 2kg2 s GLN 7 Cb 0.39 -0.05 0.00 0.00 0.80 0.00 0.00 33.01 34.15 2kg2 s GLN 7 CO 0.02 -0.00 0.00 -0.35 -0.50 0.00 0.00 175.29 174.46 2kg2 n PRO 8 N 2.00 0.00 0.02 1.67 -0.04 -1.26 -5.00 135.00 132.39 2kg2 n PRO 8 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2kg2 n PRO 8 Cb 0.56 -0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2kg2 n PRO 8 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kg2 n VAL 9 N 0.00 0.08 0.57 0.52 0.31 -1.26 -4.80 118.33 113.75 2kg2 n VAL 9 Ca 0.00 0.03 0.12 0.00 -0.01 0.00 0.00 64.34 64.47 2kg2 n VAL 9 Cb 0.00 -0.84 0.45 0.00 -0.91 0.00 0.00 33.84 32.54 2kg2 n VAL 9 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2kg2 n THR 10 N -2.83 0.66 -5.02 2.52 5.66 -1.26 -4.62 114.28 109.40 2kg2 n THR 10 Ca 0.00 0.03 -0.32 0.00 -3.05 0.00 0.00 64.05 60.71 2kg2 n THR 10 Cb 0.14 -0.85 -0.14 0.00 -1.55 0.00 0.00 70.33 67.92 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 -3.15 2.50 -0.15 1.79 0.00 -1.26 -4.81 121.76 116.68 2kg2 s ALA 11 Ca 0.08 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2kg2 s ALA 11 Cb 0.12 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2kg2 s ALA 11 CO 0.46 0.53 -0.12 0.08 0.00 0.00 0.00 175.76 176.70 2kg2 s VAL 12 N -0.62 3.00 -0.22 0.00 1.01 -0.87 -4.29 120.40 118.40 2kg2 s VAL 12 Ca 0.09 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 2kg2 s VAL 12 Cb -0.11 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 2kg2 s VAL 12 CO 0.00 0.51 0.14 0.54 0.00 0.00 0.00 175.10 176.30 2kg2 s VAL 13 N 0.60 5.34 0.10 2.92 0.11 -1.26 0.12 120.40 128.34 2kg2 s VAL 13 Ca -0.07 0.17 0.04 0.00 -2.93 0.00 0.00 61.98 59.19 2kg2 s VAL 13 Cb -0.16 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 2kg2 s VAL 13 CO 0.03 0.39 -0.11 0.00 -3.33 0.00 0.00 175.10 172.08 2kg2 s GLN 14 N 0.73 0.89 0.07 1.54 1.03 -0.11 -4.96 119.66 118.84 2kg2 s GLN 14 Ca 0.07 -1.16 -0.09 0.00 0.04 0.00 0.00 55.36 54.23 2kg2 s GLN 14 Cb -0.12 -0.64 -0.05 0.00 0.03 0.00 0.00 33.01 32.22 2kg2 s GLN 14 CO 0.01 0.11 0.37 -0.98 -2.54 0.00 0.00 175.29 172.26 2kg2 s ARG 15 N -2.67 3.70 0.08 9.60 1.04 -1.26 -1.11 118.95 128.33 2kg2 s ARG 15 Ca 0.06 0.09 0.06 0.00 -1.04 0.00 0.00 55.73 54.89 2kg2 s ARG 15 Cb -0.04 -3.00 -0.03 0.00 -2.04 0.00 0.00 34.95 29.84 2kg2 s ARG 15 CO 0.01 0.57 -0.15 0.54 -0.04 0.00 0.00 175.30 176.23 2kg2 s VAL 16 N -1.40 1.20 -0.21 4.99 0.11 0.19 -4.96 120.40 120.32 2kg2 s VAL 16 Ca 0.32 -1.37 -0.03 0.00 -2.93 0.00 0.00 61.98 57.97 2kg2 s VAL 16 Cb -0.14 -1.17 0.07 0.00 -1.53 0.00 0.00 36.38 33.61 2kg2 s VAL 16 CO 0.18 -0.23 0.07 -0.70 -3.33 0.00 0.00 175.10 171.10 2kg2 s GLU 17 N -1.85 0.40 -0.21 1.54 2.12 -1.26 0.01 118.70 119.45 2kg2 s GLU 17 Ca -0.00 -0.41 -0.14 0.00 0.36 0.00 0.00 54.97 54.79 2kg2 s GLU 17 Cb -0.09 -1.86 -0.04 0.00 0.26 0.00 0.00 34.13 32.39 2kg2 s GLU 17 CO 0.03 -0.75 0.30 0.42 -0.54 0.00 0.00 175.26 174.72 2kg2 s ILE 18 N 1.96 5.27 0.44 -3.70 1.09 -0.81 -4.56 121.20 120.88 2kg2 s ILE 18 Ca 0.03 0.51 0.02 0.00 -1.10 0.00 0.00 60.65 60.10 2kg2 s ILE 18 Cb -0.17 -3.64 0.00 0.00 -1.06 0.00 0.00 42.46 37.60 2kg2 s ILE 18 CO -0.15 0.30 0.65 -1.00 -0.10 0.00 0.00 174.94 174.64 2kg2 s HIS 19 N 1.12 3.14 0.07 3.97 3.76 -1.26 -1.41 115.29 124.69 2kg2 s HIS 19 Ca 0.15 0.10 -0.37 0.00 -0.15 0.00 0.00 55.06 54.79 2kg2 s HIS 19 Cb -0.14 -2.32 -0.16 0.00 1.11 0.00 0.00 32.58 31.07 2kg2 s HIS 19 CO 0.06 -0.37 1.38 0.36 -0.85 0.00 0.00 174.74 175.32 2kg2 n LYS 20 N -2.03 1.21 -4.39 1.40 2.85 -1.01 -4.72 118.16 111.48 2kg2 n LYS 20 Ca 0.02 0.44 -0.32 0.00 -1.05 0.00 0.00 58.31 57.40 2kg2 n LYS 20 Cb 0.58 -2.09 -0.16 0.00 -0.65 0.00 0.00 35.03 32.71 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 0.67 2.06 -0.41 -5.58 2.96 -0.91 -4.93 118.68 112.53 2kg2 s LEU 21 Ca 0.85 -0.60 -0.22 0.00 -0.22 0.00 0.00 54.13 53.93 2kg2 s LEU 21 Cb -0.94 -1.42 0.02 0.00 0.50 0.00 0.00 46.19 44.35 2kg2 s LEU 21 CO 0.47 0.03 0.73 -0.13 -1.32 0.00 0.00 176.35 176.14 2kg2 s ARG 22 N 1.07 3.52 -0.33 1.98 3.00 -1.26 -0.59 118.95 126.34 2kg2 s ARG 22 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 55.73 55.73 2kg2 s ARG 22 Cb -0.14 -3.88 0.09 0.00 0.00 0.00 0.00 34.95 31.01 2kg2 s ARG 22 CO -0.07 -0.96 0.03 -0.65 0.00 0.00 0.00 175.30 173.64 2kg2 s GLN 23 N 3.06 1.76 5.81 3.54 -1.52 -0.55 -4.97 119.66 126.80 2kg2 s GLN 23 Ca 0.28 -1.72 0.00 0.00 -1.95 0.00 0.00 55.36 51.97 2kg2 s GLN 23 Cb -0.13 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.49 2kg2 s GLN 23 CO 0.19 -0.85 0.00 0.41 -0.25 0.00 0.00 175.29 174.79 2kg2 n GLY 24 N 4.35 1.29 0.87 3.09 0.00 -1.26 -0.34 105.19 113.18 2kg2 n GLY 24 Ca -0.02 0.32 0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 3.00 -4.38 1.61 1.02 -1.26 -4.99 120.64 115.64 2kg2 n GLU 25 Ca 0.00 -2.61 -0.26 0.00 -0.02 0.00 0.00 57.16 54.27 2kg2 n GLU 25 Cb 0.00 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 29.64 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 -1.58 4.11 -0.27 1.62 0.01 0.54 -5.08 114.94 114.30 2kg2 s ASN 26 Ca 0.37 -1.16 0.01 0.00 -0.71 0.00 0.00 52.86 51.37 2kg2 s ASN 26 Cb 0.28 -0.46 0.08 0.00 0.41 0.00 0.00 41.25 41.55 2kg2 s ASN 26 CO 0.12 -0.39 0.01 -0.22 -1.51 0.00 0.00 177.10 175.11 2kg2 s LEU 27 N -3.76 2.70 0.31 0.60 1.98 -1.26 -1.47 118.68 117.78 2kg2 s LEU 27 Ca 0.36 -1.42 0.09 0.00 -2.89 0.00 0.00 54.13 50.28 2kg2 s LEU 27 Cb 0.04 -1.11 -0.06 0.00 0.66 0.00 0.00 46.19 45.72 2kg2 s LEU 27 CO 0.20 -0.31 -0.10 -0.63 -1.89 0.00 0.00 176.35 173.61 2kg2 s ILE 28 N 1.42 2.06 -2.47 6.68 1.01 0.24 -4.21 121.20 125.92 2kg2 s ILE 28 Ca 0.01 -2.21 0.27 0.00 0.00 0.00 0.00 60.65 58.72 2kg2 s ILE 28 Cb -0.18 -2.50 0.54 0.00 0.01 0.00 0.00 42.46 40.32 2kg2 s ILE 28 CO -0.11 -0.28 1.72 0.18 0.00 0.00 0.00 174.94 176.45 2kg2 n LEU 29 N -0.68 1.52 0.00 2.97 4.32 -1.26 -2.15 117.00 121.72 2kg2 n LEU 29 Ca -0.05 -0.52 0.00 0.00 -0.02 0.00 0.00 56.01 55.41 2kg2 n LEU 29 Cb 0.63 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 2kg2 n LEU 29 CO 0.41 0.26 0.00 0.61 -1.22 0.00 0.00 177.39 177.45 2kg2 n GLY 30 N 1.17 2.23 3.99 -0.72 0.00 -1.26 -3.96 105.19 106.63 2kg2 n GLY 30 Ca 0.19 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.50 2.74 0.24 1.61 -0.71 -1.26 -2.74 117.98 117.36 2kg2 s PHE 31 Ca 0.00 -0.20 0.04 0.00 -1.04 0.00 0.00 56.93 55.72 2kg2 s PHE 31 Cb 0.00 -2.59 -0.05 0.00 -1.21 0.00 0.00 43.02 39.16 2kg2 s PHE 31 CO 0.00 -0.73 -0.00 -1.12 -1.34 0.00 0.00 175.22 172.02 2kg2 s SER 32 N -4.42 1.95 0.35 1.98 0.01 0.62 -4.87 113.70 109.32 2kg2 s SER 32 Ca 0.57 -1.23 0.06 0.00 1.31 0.00 0.00 55.95 56.66 2kg2 s SER 32 Cb -0.10 -0.01 -0.07 0.00 0.21 0.00 0.00 66.02 66.05 2kg2 s SER 32 CO 0.36 -0.50 0.02 0.27 0.41 0.00 0.00 173.24 173.80 2kg2 s ILE 33 N -3.38 1.57 -0.05 1.44 -4.36 -1.26 -0.45 121.20 114.71 2kg2 s ILE 33 Ca 0.29 -2.03 0.11 0.00 -0.26 0.00 0.00 60.65 58.76 2kg2 s ILE 33 Cb 0.06 -2.80 -0.16 0.00 1.25 0.00 0.00 42.46 40.81 2kg2 s ILE 33 CO 0.09 -0.06 0.17 0.61 0.24 0.00 0.00 174.94 176.00 2kg2 n GLY 34 N -0.77 -0.53 0.00 6.27 0.00 0.90 -4.51 105.19 106.56 2kg2 n GLY 34 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 2.04 2.31 0.00 -0.02 0.00 -1.26 -4.91 105.19 103.35 2kg2 n GLY 35 Ca -0.08 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.25 1.53 0.23 -0.02 0.00 -1.24 -3.08 105.19 101.37 2kg2 n GLY 36 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.55 0.00 -0.61 -2.65 -1.81 -1.88 117.51 111.11 2kg2 h ILE 37 Ca 0.00 -0.96 0.00 0.00 1.03 0.00 0.00 64.86 64.93 2kg2 h ILE 37 Cb 0.00 1.65 0.00 0.00 -2.05 0.00 0.00 36.82 36.42 2kg2 h ILE 37 CO 0.00 0.19 0.00 -0.67 0.03 0.00 0.00 178.15 177.70 2kg2 n ASP 38 N -3.45 0.37 -4.80 2.16 2.03 -1.26 -4.70 116.55 106.90 2kg2 n ASP 38 Ca -0.00 0.59 -0.24 0.00 0.52 0.00 0.00 54.79 55.66 2kg2 n ASP 38 Cb 0.38 -0.67 -0.05 0.00 -0.72 0.00 0.00 41.12 40.06 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 -3.16 2.87 -0.24 -0.67 -1.52 -0.71 -5.04 119.66 111.20 2kg2 s GLN 39 Ca 0.06 -1.00 -0.13 0.00 -1.95 0.00 0.00 55.36 52.34 2kg2 s GLN 39 Cb 0.10 -2.57 -0.04 0.00 -0.22 0.00 0.00 33.01 30.27 2kg2 s GLN 39 CO 0.35 0.43 0.28 0.34 -0.25 0.00 0.00 175.29 176.44 2kg2 s ASP 40 N -3.53 6.23 0.54 5.90 -1.08 -1.26 -4.91 116.67 118.56 2kg2 s ASP 40 Ca 0.32 0.26 0.25 0.00 -0.52 0.00 0.00 52.55 52.85 2kg2 s ASP 40 Cb -0.09 -2.17 1.53 0.00 -1.46 0.00 0.00 42.92 40.73 2kg2 s ASP 40 CO 0.24 -0.04 2.15 1.55 0.52 0.00 0.00 175.17 179.59 2kg2 h PRO 41 N 7.71 0.00 0.00 4.34 0.13 -1.91 -2.23 132.00 140.05 2kg2 h PRO 41 Ca -0.36 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.73 2kg2 h PRO 41 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kg2 h PRO 41 CO 0.66 0.06 -0.20 0.77 -0.23 0.00 0.00 178.00 179.06 2kg2 h SER 42 N 0.00 0.00 0.00 1.44 0.02 -1.93 -2.86 113.55 110.22 2kg2 h SER 42 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kg2 h SER 42 Cb 0.14 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2kg2 h SER 42 CO 0.01 0.20 -0.08 0.00 -1.14 0.00 0.00 176.83 175.82 2kg2 n GLN 43 N -3.32 1.16 -4.68 3.45 10.64 -0.88 -4.93 117.38 118.82 2kg2 n GLN 43 Ca 0.01 -2.45 -0.33 0.00 -1.83 0.00 0.00 57.00 52.39 2kg2 n GLN 43 Cb 0.44 -1.40 -0.12 0.00 -0.86 0.00 0.00 30.24 28.30 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 -2.70 4.43 0.21 2.61 0.01 -0.96 -4.96 114.94 113.58 2kg2 s ASN 44 Ca 0.29 -0.11 -0.08 0.00 -0.71 0.00 0.00 52.86 52.26 2kg2 s ASN 44 Cb 0.26 -1.04 0.16 0.00 0.41 0.00 0.00 41.25 41.04 2kg2 s ASN 44 CO 0.02 0.34 1.77 1.55 -1.51 0.00 0.00 177.10 179.28 2kg2 h PRO 45 N 5.13 1.20 -0.01 -0.60 0.13 -1.91 -1.57 132.00 134.36 2kg2 h PRO 45 Ca -0.48 -0.22 -0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2kg2 h PRO 45 Cb 1.17 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 2kg2 h PRO 45 CO 0.52 0.98 -0.11 1.19 -0.23 0.00 0.00 178.00 180.35 2kg2 n PHE 46 N -4.27 0.03 -0.29 1.56 3.72 -1.26 -4.33 117.46 112.62 2kg2 n PHE 46 Ca 0.07 -1.11 0.00 0.00 -0.05 0.00 0.00 57.45 56.36 2kg2 n PHE 46 Cb 0.20 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.35 0.78 -0.03 4.37 2.88 -1.04 -4.67 113.62 114.56 2kg2 n SER 47 Ca 0.17 -1.07 0.14 0.00 -1.33 0.00 0.00 58.87 56.78 2kg2 n SER 47 Cb 0.66 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.78 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 -0.04 0.37 -0.10 -1.46 0.28 -0.62 -3.55 120.64 115.53 2kg2 n GLU 48 Ca 0.00 -0.06 -0.13 0.00 -0.16 0.00 0.00 57.16 56.81 2kg2 n GLU 48 Cb 0.10 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.43 2kg2 n GLU 48 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 2kg2 h ASP 49 N 0.14 0.75 -5.31 -1.84 2.03 -1.84 -3.47 116.42 106.87 2kg2 h ASP 49 Ca 0.00 -0.45 0.17 0.00 -0.73 0.00 0.00 57.03 56.01 2kg2 h ASP 49 Cb 0.36 -0.21 -0.07 0.00 -0.83 0.00 0.00 39.33 38.58 2kg2 h ASP 49 CO 0.00 1.05 0.48 -1.59 -1.03 0.00 0.00 179.24 178.14 2kg2 s LYS 50 N -4.43 1.27 0.00 4.15 -2.85 -1.23 -4.50 119.74 112.15 2kg2 s LYS 50 Ca -0.12 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.12 2kg2 s LYS 50 Cb 0.09 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 2kg2 s LYS 50 CO 0.83 -0.58 0.51 0.25 0.10 0.00 0.00 175.35 176.45 2kg2 n THR 51 N -0.50 0.00 -3.02 3.79 -2.24 -1.26 -4.64 114.28 106.41 2kg2 n THR 51 Ca -0.06 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.28 2kg2 n THR 51 Cb 0.60 -0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 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 -0.08 6.20 0.85 3.42 2.15 -1.26 -5.01 116.67 122.94 2kg2 s ASP 52 Ca 0.00 -1.31 -0.07 0.00 0.43 0.00 0.00 52.55 51.60 2kg2 s ASP 52 Cb 0.00 -2.35 0.17 0.00 -0.30 0.00 0.00 42.92 40.45 2kg2 s ASP 52 CO 0.00 -1.23 1.11 0.29 -0.17 0.00 0.00 175.17 175.17 2kg2 n LYS 53 N 6.81 -0.59 0.00 4.34 5.02 -1.26 -4.96 118.16 127.51 2kg2 n LYS 53 Ca -0.06 -2.37 0.00 0.00 -2.02 0.00 0.00 58.31 53.86 2kg2 n LYS 53 Cb 0.44 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 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 -2.89 3.32 3.72 0.72 0.00 -1.26 -4.88 105.19 103.92 2kg2 n GLY 54 Ca 0.16 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 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 4.32 0.07 -0.61 -1.09 -1.24 -3.63 121.20 117.03 2kg2 s ILE 55 Ca 0.00 1.72 0.06 0.00 -2.23 0.00 0.00 60.65 60.20 2kg2 s ILE 55 Cb 0.00 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 2kg2 s ILE 55 CO 0.00 0.16 -0.16 -0.72 -1.23 0.00 0.00 174.94 172.99 2kg2 s TYR 56 N 0.80 1.42 0.04 3.97 -0.85 -1.18 0.42 117.35 121.97 2kg2 s TYR 56 Ca 0.54 -0.43 -0.30 0.00 -0.52 0.00 0.00 57.07 56.37 2kg2 s TYR 56 Cb -0.26 -0.80 -0.04 0.00 0.38 0.00 0.00 41.96 41.24 2kg2 s TYR 56 CO 0.30 0.10 1.03 0.08 -1.52 0.00 0.00 175.55 175.54 2kg2 s VAL 57 N -1.14 4.59 -0.02 -3.49 1.01 0.29 -0.07 120.40 121.56 2kg2 s VAL 57 Ca 0.02 1.91 0.14 0.00 0.00 0.00 0.00 61.98 64.04 2kg2 s VAL 57 Cb -0.10 -4.22 -0.22 0.00 0.00 0.00 0.00 36.38 31.84 2kg2 s VAL 57 CO 0.03 0.18 0.30 0.35 0.00 0.00 0.00 175.10 175.96 2kg2 n THR 58 N 3.69 0.04 -3.84 3.92 -2.24 0.40 -0.70 114.28 115.54 2kg2 n THR 58 Ca 0.06 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 2kg2 n THR 58 Cb 0.49 0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.97 0.28 -0.03 -0.78 3.52 -1.14 -4.87 118.95 112.96 2kg2 s ARG 59 Ca -0.05 -0.00 0.05 0.00 -0.13 0.00 0.00 55.73 55.59 2kg2 s ARG 59 Cb 0.09 0.12 -0.01 0.00 -1.56 0.00 0.00 34.95 33.60 2kg2 s ARG 59 CO 0.59 -0.05 -0.17 0.08 -0.81 0.00 0.00 175.30 174.94 2kg2 s VAL 60 N -0.43 1.38 -0.10 7.11 1.01 -1.26 -0.28 120.40 127.83 2kg2 s VAL 60 Ca -0.05 -0.70 -0.34 0.00 0.00 0.00 0.00 61.98 60.88 2kg2 s VAL 60 Cb -0.03 -1.17 -0.12 0.00 0.00 0.00 0.00 36.38 35.06 2kg2 s VAL 60 CO 0.01 0.40 1.90 -0.24 0.00 0.00 0.00 175.10 177.16 2kg2 n SER 61 N 3.00 3.45 0.00 3.32 2.88 -1.11 -4.82 113.62 120.33 2kg2 n SER 61 Ca -0.17 0.95 0.10 0.00 -1.33 0.00 0.00 58.87 58.43 2kg2 n SER 61 Cb 0.53 -1.37 0.62 0.00 -0.75 0.00 0.00 64.21 63.24 2kg2 n SER 61 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2kg2 n GLU 62 N 6.74 0.88 -2.36 -1.46 0.28 -1.26 -3.09 120.64 120.37 2kg2 n GLU 62 Ca 0.23 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.21 2kg2 n GLU 62 Cb 0.30 -1.37 0.09 0.00 1.43 0.00 0.00 31.44 31.88 2kg2 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kg2 n GLY 63 N 0.66 1.03 1.03 -1.84 0.00 -1.26 -5.08 105.19 99.73 2kg2 n GLY 63 Ca 0.16 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.00 3.69 0.22 -0.02 0.00 -1.18 -5.04 105.19 101.86 2kg2 n GLY 64 Ca -0.12 -1.77 0.07 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 0.81 1.61 0.13 -1.85 -2.38 132.00 130.33 2kg2 h PRO 65 Ca -0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 2kg2 h PRO 65 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2kg2 h PRO 65 CO 0.12 0.24 -0.46 0.00 -0.23 0.00 0.00 178.00 177.67 2kg2 h ALA 66 N 1.76 -1.21 0.00 -0.56 0.00 -1.84 0.14 119.26 117.55 2kg2 h ALA 66 Ca -0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2kg2 h ALA 66 Cb 0.47 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2kg2 h ALA 66 CO 0.03 -1.19 -0.48 1.05 0.00 0.00 0.00 179.25 178.66 2kg2 h GLU 67 N -1.18 0.00 -0.85 0.00 4.11 -1.62 0.24 114.58 115.29 2kg2 h GLU 67 Ca -0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 2kg2 h GLU 67 Cb 0.93 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 2kg2 h GLU 67 CO 0.14 0.48 0.49 0.82 0.07 0.00 0.00 179.01 181.01 2kg2 h ILE 68 N 0.00 1.24 0.03 -1.06 1.08 -1.21 -3.15 117.51 114.44 2kg2 h ILE 68 Ca -0.00 -0.56 -0.07 0.00 -0.39 0.00 0.00 64.86 63.84 2kg2 h ILE 68 Cb 0.99 0.08 0.01 0.00 -3.07 0.00 0.00 36.82 34.82 2kg2 h ILE 68 CO 0.06 0.26 -0.29 0.00 -0.69 0.00 0.00 178.15 177.49 2kg2 h ALA 69 N 1.26 -0.00 0.00 1.87 0.00 -0.55 -3.48 119.26 118.36 2kg2 h ALA 69 Ca 0.30 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kg2 h ALA 69 Cb -0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kg2 h ALA 69 CO -0.05 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2kg2 n GLY 70 N 1.33 -0.30 3.70 0.00 0.00 -0.37 -4.84 105.19 104.71 2kg2 n GLY 70 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 4.33 0.08 0.99 2.96 0.72 -4.97 118.68 122.79 2kg2 s LEU 71 Ca 0.00 1.93 0.07 0.00 -0.22 0.00 0.00 54.13 55.91 2kg2 s LEU 71 Cb 0.00 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2kg2 s LEU 71 CO 0.00 -0.53 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.28 2kg2 s GLN 72 N 1.61 2.11 0.01 1.98 -1.52 -1.26 -4.15 119.66 118.45 2kg2 s GLN 72 Ca 0.58 -1.01 -0.30 0.00 -1.95 0.00 0.00 55.36 52.68 2kg2 s GLN 72 Cb -0.27 -2.28 -0.07 0.00 -0.22 0.00 0.00 33.01 30.17 2kg2 s GLN 72 CO 0.26 0.52 1.61 0.42 -0.25 0.00 0.00 175.29 177.85 2kg2 s ILE 73 N -1.13 3.34 0.00 1.08 1.01 -1.26 -2.04 121.20 122.20 2kg2 s ILE 73 Ca 0.19 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.50 2kg2 s ILE 73 Cb -0.11 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2kg2 s ILE 73 CO 0.11 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.64 2kg2 n GLY 74 N 3.99 1.85 3.70 6.18 0.00 0.12 -5.01 105.19 116.02 2kg2 n GLY 74 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.82 6.56 -0.20 1.61 1.01 -0.87 -4.68 116.67 118.28 2kg2 s ASP 75 Ca 0.00 2.59 -0.20 0.00 0.71 0.00 0.00 52.55 55.65 2kg2 s ASP 75 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 2kg2 s ASP 75 CO 0.00 -0.88 0.61 -0.54 0.21 0.00 0.00 175.17 174.56 2kg2 s LYS 76 N 2.01 4.20 -0.16 8.23 1.02 -1.25 -0.55 119.74 133.25 2kg2 s LYS 76 Ca 0.73 0.57 -0.19 0.00 0.02 0.00 0.00 55.97 57.10 2kg2 s LYS 76 Cb -0.43 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 2kg2 s LYS 76 CO 0.32 -0.24 0.55 0.42 -0.92 0.00 0.00 175.35 175.49 2kg2 s ILE 77 N 1.91 5.11 -0.57 2.17 1.09 0.17 -1.12 121.20 129.96 2kg2 s ILE 77 Ca 0.28 1.06 0.08 0.00 -1.10 0.00 0.00 60.65 60.97 2kg2 s ILE 77 Cb -0.16 -3.88 -0.05 0.00 -1.06 0.00 0.00 42.46 37.31 2kg2 s ILE 77 CO 0.10 0.22 0.45 0.23 -0.10 0.00 0.00 174.94 175.84 2kg2 n MET 78 N 4.37 3.37 -3.63 2.79 2.81 0.53 -3.89 117.12 123.47 2kg2 n MET 78 Ca -0.04 -0.24 -0.12 0.00 -1.81 0.00 0.00 57.70 55.49 2kg2 n MET 78 Cb 0.51 -0.95 -0.07 0.00 -0.71 0.00 0.00 33.22 31.99 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 -1.54 0.79 -0.08 0.03 -0.44 -1.09 -0.88 119.66 116.45 2kg2 s GLN 79 Ca 0.05 1.08 -0.03 0.00 -2.50 0.00 0.00 55.36 53.96 2kg2 s GLN 79 Cb 0.07 0.31 0.04 0.00 -1.64 0.00 0.00 33.01 31.79 2kg2 s GLN 79 CO 0.29 -0.12 0.13 0.08 0.50 0.00 0.00 175.29 176.17 2kg2 s VAL 80 N 0.82 -0.22 -1.23 1.34 1.01 0.20 0.72 120.40 123.04 2kg2 s VAL 80 Ca -0.03 0.36 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 2kg2 s VAL 80 Cb -0.05 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.07 2kg2 s VAL 80 CO -0.06 0.15 0.66 -3.20 0.00 0.00 0.00 175.10 172.64 2kg2 n ASN 81 N 5.32 -3.81 0.00 3.32 2.85 0.13 -0.67 115.26 122.40 2kg2 n ASN 81 Ca -0.04 -1.12 0.00 0.00 -0.11 0.00 0.00 54.58 53.31 2kg2 n ASN 81 Cb 0.50 -2.68 0.00 0.00 1.24 0.00 0.00 39.78 38.84 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 -1.91 2.27 3.92 8.20 0.00 -1.26 -4.96 105.19 111.44 2kg2 n GLY 82 Ca -0.15 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 0.66 0.00 0.00 0.00 173.32 173.98 2kg2 s TRP 83 N -1.20 3.49 -0.18 1.61 1.48 0.15 -5.07 118.94 119.23 2kg2 s TRP 83 Ca 0.00 0.56 -0.15 0.00 -1.06 0.00 0.00 56.10 55.45 2kg2 s TRP 83 Cb 0.00 -2.05 -0.04 0.00 -1.16 0.00 0.00 33.47 30.21 2kg2 s TRP 83 CO 0.00 0.11 0.36 -0.51 -4.06 0.00 0.00 176.95 172.85 2kg2 s ASP 84 N -3.54 6.45 0.00 -2.66 1.11 -1.26 0.60 116.67 117.37 2kg2 s ASP 84 Ca 0.43 0.53 0.17 0.00 0.18 0.00 0.00 52.55 53.85 2kg2 s ASP 84 Cb -0.10 -2.22 0.25 0.00 1.07 0.00 0.00 42.92 41.92 2kg2 s ASP 84 CO 0.33 -0.01 1.16 0.80 1.18 0.00 0.00 175.17 178.64 2kg2 n MET 85 N 4.09 1.87 0.31 8.23 0.00 -0.06 -4.46 117.12 127.11 2kg2 n MET 85 Ca -0.10 -1.81 0.18 0.00 -0.00 0.00 0.00 57.70 55.97 2kg2 n MET 85 Cb 0.51 -1.36 1.00 0.00 0.00 0.00 0.00 33.22 33.37 2kg2 n MET 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kg2 h THR 86 N 3.25 0.32 -2.51 1.12 1.03 -1.49 -3.31 112.91 111.31 2kg2 h THR 86 Ca 0.00 -0.10 -0.55 0.00 -0.01 0.00 0.00 66.41 65.75 2kg2 h THR 86 Cb 0.76 1.07 -0.38 0.00 -1.07 0.00 0.00 68.15 68.53 2kg2 h THR 86 CO 0.00 0.02 -0.83 -0.32 -0.01 0.00 0.00 175.52 174.38 2kg2 s MET 87 N -4.35 0.55 -0.05 0.00 0.00 -1.26 -4.33 119.30 109.85 2kg2 s MET 87 Ca -0.04 -1.26 -0.31 0.00 0.00 0.00 0.00 55.69 54.08 2kg2 s MET 87 Cb 0.14 -1.22 0.07 0.00 0.00 0.00 0.00 34.83 33.82 2kg2 s MET 87 CO 0.50 -1.21 0.69 0.54 0.00 0.00 0.00 175.02 175.55 2kg2 s VAL 88 N 1.13 0.00 0.68 10.11 0.11 -1.25 -5.07 120.40 126.10 2kg2 s VAL 88 Ca 0.18 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.12 2kg2 s VAL 88 Cb -0.22 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.63 2kg2 s VAL 88 CO 0.00 0.00 1.05 0.42 -3.33 0.00 0.00 175.10 173.24 2kg2 s THR 89 N -1.19 4.20 0.26 5.04 -4.23 -1.26 -3.43 115.64 115.03 2kg2 s THR 89 Ca -0.11 0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 61.10 2kg2 s THR 89 Cb -0.00 -3.52 0.25 0.00 1.34 0.00 0.00 72.50 70.57 2kg2 s THR 89 CO 0.10 -0.93 1.81 -0.74 -0.54 0.00 0.00 174.62 174.32 2kg2 h HIS 90 N -0.62 0.97 -0.23 3.99 2.76 -1.92 -1.16 115.15 118.94 2kg2 h HIS 90 Ca -0.44 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.76 2kg2 h HIS 90 Cb 1.21 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 2kg2 h HIS 90 CO 0.63 0.37 0.14 0.22 -1.30 0.00 0.00 177.93 177.99 2kg2 h ASP 91 N 0.86 0.28 -0.01 3.26 3.58 -1.99 0.11 116.42 122.49 2kg2 h ASP 91 Ca 0.45 -0.05 -0.18 0.00 0.42 0.00 0.00 57.03 57.66 2kg2 h ASP 91 Cb 0.45 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.43 2kg2 h ASP 91 CO -0.27 0.25 -0.63 1.56 -2.88 0.00 0.00 179.24 177.27 2kg2 h GLN 92 N 0.28 0.63 -0.32 0.28 7.50 -1.88 -3.13 115.11 118.47 2kg2 h GLN 92 Ca 0.08 -0.44 -0.03 0.00 0.50 0.00 0.00 58.65 58.76 2kg2 h GLN 92 Cb 0.02 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.61 2kg2 h GLN 92 CO -0.02 1.06 0.07 0.00 -1.50 0.00 0.00 178.83 178.44 2kg2 h ALA 93 N 0.83 0.42 -0.97 3.87 0.00 -1.00 -2.94 119.26 119.46 2kg2 h ALA 93 Ca -0.01 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.86 2kg2 h ALA 93 Cb 1.21 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 2kg2 h ALA 93 CO 0.12 0.10 0.61 0.00 0.00 0.00 0.00 179.25 180.08 2kg2 h ARG 94 N 0.35 0.82 -0.96 0.00 2.47 -0.76 0.13 114.38 116.43 2kg2 h ARG 94 Ca 0.10 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 2kg2 h ARG 94 Cb 0.32 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 2kg2 h ARG 94 CO 0.00 0.54 0.05 1.63 0.56 0.00 0.00 179.97 182.76 2kg2 n LYS 95 N -4.63 1.51 0.00 0.04 5.02 -1.11 -1.57 118.16 117.43 2kg2 n LYS 95 Ca 0.20 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 2kg2 n LYS 95 Cb 0.45 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2kg2 n LYS 95 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2kg2 n ARG 96 N 0.15 0.00 0.01 1.97 0.63 -0.06 -4.57 116.66 114.80 2kg2 n ARG 96 Ca 0.08 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.12 2kg2 n ARG 96 Cb 0.56 -0.37 -0.10 0.00 0.45 0.00 0.00 32.46 33.00 2kg2 n ARG 96 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2kg2 n LEU 97 N -1.30 0.41 -0.05 6.15 -0.00 0.25 -4.17 117.00 118.28 2kg2 n LEU 97 Ca 0.00 -0.05 0.04 0.00 -0.00 0.00 0.00 56.01 55.99 2kg2 n LEU 97 Cb 0.00 -0.03 0.05 0.00 -0.00 0.00 0.00 43.42 43.44 2kg2 n LEU 97 CO 0.00 0.03 0.49 1.07 -0.00 0.00 0.00 177.39 178.98 2kg2 n THR 98 N -2.11 1.19 -0.78 1.47 5.66 -0.61 -4.36 114.28 114.75 2kg2 n THR 98 Ca -0.01 -1.32 -0.31 0.00 -3.05 0.00 0.00 64.05 59.36 2kg2 n THR 98 Cb 0.50 0.27 0.17 0.00 -1.55 0.00 0.00 70.33 69.72 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 -1.54 0.91 -0.09 1.09 -2.85 -1.08 -4.78 119.74 111.40 2kg2 s LYS 99 Ca 0.12 1.36 0.13 0.00 -1.00 0.00 0.00 55.97 56.58 2kg2 s LYS 99 Cb 0.10 -1.73 0.20 0.00 -2.06 0.00 0.00 37.83 34.34 2kg2 s LYS 99 CO 0.01 -2.64 1.09 2.89 0.10 0.00 0.00 175.35 176.80 2kg2 n ARG 100 N -4.22 1.08 0.06 1.78 1.85 -1.26 -4.64 116.66 111.32 2kg2 n ARG 100 Ca 0.10 -2.10 -0.03 0.00 -1.00 0.00 0.00 57.85 54.82 2kg2 n ARG 100 Cb 0.53 -1.22 -0.07 0.00 -1.05 0.00 0.00 32.46 30.65 2kg2 n ARG 100 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2kg2 h SER 101 N 0.00 0.00 -2.99 2.89 0.02 -1.93 -3.47 113.55 108.07 2kg2 h SER 101 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 2kg2 h SER 101 Cb 1.05 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.45 2kg2 h SER 101 CO 0.00 0.75 -0.74 -1.61 -1.14 0.00 0.00 176.83 174.09 2kg2 s GLU 102 N -2.82 1.41 0.00 3.45 2.02 -1.26 -5.11 118.70 116.39 2kg2 s GLU 102 Ca 0.00 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.36 2kg2 s GLU 102 Cb 0.09 -1.27 0.00 0.00 0.10 0.00 0.00 34.13 33.04 2kg2 s GLU 102 CO 0.80 0.22 0.00 -0.85 0.02 0.00 0.00 175.26 175.45 2kg2 n GLU 103 N -0.41 0.00 -4.36 1.61 0.00 -1.26 -4.93 120.64 111.28 2kg2 n GLU 103 Ca -0.07 0.06 -0.34 0.00 0.00 0.00 0.00 57.16 56.80 2kg2 n GLU 103 Cb 0.60 -0.54 -0.13 0.00 0.00 0.00 0.00 31.44 31.38 2kg2 n GLU 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2kg2 s VAL 104 N -0.95 3.78 0.05 3.84 0.11 -1.26 -2.39 120.40 123.58 2kg2 s VAL 104 Ca 0.00 -0.39 0.04 0.00 -2.93 0.00 0.00 61.98 58.70 2kg2 s VAL 104 Cb 0.00 -2.66 -0.02 0.00 -1.53 0.00 0.00 36.38 32.16 2kg2 s VAL 104 CO 0.00 0.48 -0.12 0.68 -3.33 0.00 0.00 175.10 172.82 2kg2 s VAL 105 N 0.52 0.88 -0.24 2.04 -7.23 -0.50 -4.99 120.40 110.88 2kg2 s VAL 105 Ca -0.03 -1.12 -0.10 0.00 -1.81 0.00 0.00 61.98 58.91 2kg2 s VAL 105 Cb -0.14 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.88 2kg2 s VAL 105 CO 0.03 -0.22 0.16 -0.13 -0.31 0.00 0.00 175.10 174.62 2kg2 s ARG 106 N -1.51 4.05 0.19 4.82 0.52 -1.26 -1.92 118.95 123.84 2kg2 s ARG 106 Ca -0.04 -0.28 0.11 0.00 -0.52 0.00 0.00 55.73 55.00 2kg2 s ARG 106 Cb -0.09 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 2kg2 s ARG 106 CO 0.01 0.04 -0.23 -0.51 0.02 0.00 0.00 175.30 174.63 2kg2 s LEU 107 N 1.11 2.46 -0.14 2.53 1.43 0.10 0.22 118.68 126.40 2kg2 s LEU 107 Ca 0.07 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.34 2kg2 s LEU 107 Cb -0.14 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.90 2kg2 s LEU 107 CO 0.05 0.12 -0.22 -0.76 0.23 0.00 0.00 176.35 175.77 2kg2 s LEU 108 N -2.69 2.10 0.13 1.79 1.02 0.22 0.54 118.68 121.80 2kg2 s LEU 108 Ca 0.21 -0.60 0.11 0.00 0.02 0.00 0.00 54.13 53.87 2kg2 s LEU 108 Cb -0.08 -1.44 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 2kg2 s LEU 108 CO 0.10 0.09 -0.26 0.68 0.02 0.00 0.00 176.35 176.98 2kg2 s VAL 109 N 0.76 2.30 -0.14 -1.59 -7.23 -0.27 -0.34 120.40 113.89 2kg2 s VAL 109 Ca -0.08 -1.76 -0.00 0.00 -1.81 0.00 0.00 61.98 58.32 2kg2 s VAL 109 Cb -0.16 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 2kg2 s VAL 109 CO -0.01 0.08 -0.13 0.42 -0.31 0.00 0.00 175.10 175.15 2kg2 s THR 110 N -1.10 3.04 -0.59 5.32 -4.23 -0.27 -0.93 115.64 116.88 2kg2 s THR 110 Ca 0.15 -0.66 -0.19 0.00 -1.18 0.00 0.00 61.69 59.81 2kg2 s THR 110 Cb -0.10 -2.28 0.10 0.00 1.34 0.00 0.00 72.50 71.56 2kg2 s THR 110 CO 0.06 0.52 0.71 -0.13 -0.54 0.00 0.00 174.62 175.24 2kg2 s ARG 111 N 0.46 3.05 0.02 3.99 1.81 0.12 -3.86 118.95 124.54 2kg2 s ARG 111 Ca -0.09 -1.27 -0.13 0.00 -1.72 0.00 0.00 55.73 52.52 2kg2 s ARG 111 Cb -0.16 -4.25 -0.34 0.00 -0.45 0.00 0.00 34.95 29.75 2kg2 s ARG 111 CO 0.05 -1.54 0.96 1.96 -0.68 0.00 0.00 175.30 176.05 2kg2 h GLN 112 N 9.20 0.49 -3.23 3.54 1.08 -1.87 -2.32 115.11 121.98 2kg2 h GLN 112 Ca -0.29 -0.83 -0.24 0.00 -1.45 0.00 0.00 58.65 55.84 2kg2 h GLN 112 Cb 1.09 0.31 -0.03 0.00 -0.05 0.00 0.00 27.48 28.79 2kg2 h GLN 112 CO 1.10 1.39 -0.28 0.43 -0.95 0.00 0.00 178.83 180.52 2kg2 n SER 113 N -3.67 -3.59 -3.00 1.46 7.64 -1.26 -3.91 113.62 107.29 2kg2 n SER 113 Ca -0.17 0.23 -0.00 0.00 1.01 0.00 0.00 58.87 59.94 2kg2 n SER 113 Cb 1.09 -3.14 -0.00 0.00 -1.01 0.00 0.00 64.21 61.15 2kg2 n SER 113 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kg2 n LEU 114 N -2.52 -5.28 -0.08 -3.43 4.77 -1.26 -5.01 117.00 104.19 2kg2 n LEU 114 Ca -0.13 0.88 -0.07 0.00 -0.03 0.00 0.00 56.01 56.65 2kg2 n LEU 114 Cb 0.55 -2.25 -0.02 0.00 -2.33 0.00 0.00 43.42 39.36 2kg2 n LEU 114 CO 0.17 -2.24 -0.56 1.67 -1.33 0.00 0.00 177.39 175.10 2kg2 n GLN 115 N 1.20 0.47 -3.70 3.23 -0.06 -1.25 -4.96 117.38 112.31 2kg2 n GLN 115 Ca -0.02 0.27 -0.24 0.00 -2.00 0.00 0.00 57.00 55.01 2kg2 n GLN 115 Cb 0.30 -1.42 -0.17 0.00 -4.06 0.00 0.00 30.24 24.89 2kg2 n GLN 115 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2kg2 s LYS 116 N -2.62 0.31 0.52 3.69 2.20 -1.26 -5.14 119.74 117.44 2kg2 s LYS 116 Ca -0.24 -0.00 0.03 0.00 -0.36 0.00 0.00 55.97 55.40 2kg2 s LYS 116 Cb 0.03 -1.36 0.03 0.00 -1.51 0.00 0.00 37.83 35.02 2kg2 s LYS 116 CO 0.35 -0.49 0.72 0.00 -0.36 0.00 0.00 175.35 175.57 2kg2 s ALA 117 N 2.04 4.08 -0.85 3.13 0.00 -1.26 -4.69 121.76 124.21 2kg2 s ALA 117 Ca 0.03 -1.43 -0.03 0.00 0.00 0.00 0.00 51.96 50.53 2kg2 s ALA 117 Cb -0.14 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 2kg2 s ALA 117 CO -0.06 -0.62 0.77 0.28 0.00 0.00 0.00 175.76 176.12 2kg2 n VAL 118 N -2.21 -9.49 -3.59 0.00 0.31 -1.26 -5.02 118.33 97.07 2kg2 n VAL 118 Ca 0.08 -0.60 -0.28 0.00 -0.01 0.00 0.00 64.34 63.52 2kg2 n VAL 118 Cb 0.60 -6.58 -0.16 0.00 -0.91 0.00 0.00 33.84 26.79 2kg2 n VAL 118 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2kg2 s GLN 119 N -3.61 0.25 -0.29 5.55 0.74 -1.26 -5.11 119.66 115.93 2kg2 s GLN 119 Ca 0.16 -0.49 -0.01 0.00 0.05 0.00 0.00 55.36 55.07 2kg2 s GLN 119 Cb -0.02 -1.46 0.05 0.00 1.10 0.00 0.00 33.01 32.68 2kg2 s GLN 119 CO 0.76 -0.92 -0.02 -1.14 -0.55 0.00 0.00 175.29 173.42 2kg2 s GLN 120 N 2.04 2.49 -1.87 1.67 0.74 -1.26 -4.68 119.66 118.79 2kg2 s GLN 120 Ca 0.07 -1.22 0.00 0.00 0.05 0.00 0.00 55.36 54.26 2kg2 s GLN 120 Cb -0.16 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.84 2kg2 s GLN 120 CO -0.28 -0.57 0.00 0.43 -0.55 0.00 0.00 175.29 174.32 2kg2 n SER 121 N 4.61 -5.29 -4.15 6.67 7.64 -1.26 -4.96 113.62 116.88 2kg2 n SER 121 Ca -0.14 0.32 -0.24 0.00 1.01 0.00 0.00 58.87 59.83 2kg2 n SER 121 Cb 0.44 -4.41 -0.15 0.00 -1.01 0.00 0.00 64.21 59.08 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 -3.97 1.28 0.48 1.43 0.00 -1.26 -5.14 119.30 112.13 2kg2 s MET 122 Ca 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 55.69 55.07 2kg2 s MET 122 Cb 0.00 -1.25 -0.00 0.00 0.00 0.00 0.00 34.83 33.58 2kg2 s MET 122 CO 0.00 0.34 0.74 -0.51 0.00 0.00 0.00 175.02 175.58 2kg2 s LEU 123 N -0.47 3.55 0.00 4.11 1.43 -1.26 -4.98 118.68 121.07 2kg2 s LEU 123 Ca 0.06 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 2kg2 s LEU 123 Cb -0.06 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2kg2 s LEU 123 CO -0.00 -0.76 0.00 -0.24 0.23 0.00 0.00 176.35 175.57