#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg2 n SER 2 N 0.00 0.00 -0.04 1.61 7.64 -1.26 -4.62 113.62 116.95 2kg2 n SER 2 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2kg2 n SER 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2kg2 n SER 2 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2kg2 h TYR 3 N 0.00 -0.04 -4.96 1.43 3.20 -2.12 -3.50 116.97 110.98 2kg2 h TYR 3 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kg2 h TYR 3 Cb 0.00 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 2kg2 h TYR 3 CO 0.00 0.31 -1.10 -0.89 -1.64 0.00 0.00 178.16 174.84 2kg2 n ILE 4 N -4.76-11.74 -2.26 1.81 5.41 -1.26 -4.99 119.36 101.57 2kg2 n ILE 4 Ca -0.04 2.00 -0.33 0.00 1.00 0.00 0.00 62.75 65.39 2kg2 n ILE 4 Cb 0.18 -6.67 -0.01 0.00 -0.71 0.00 0.00 39.64 32.43 2kg2 n ILE 4 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2kg2 s PRO 5 N -1.30 3.61 -0.68 0.38 0.04 -1.26 -4.95 135.00 130.85 2kg2 s PRO 5 Ca -0.08 1.16 -0.02 0.00 0.04 0.00 0.00 61.00 62.10 2kg2 s PRO 5 Cb 0.01 -2.08 0.40 0.00 0.04 0.00 0.00 34.50 32.86 2kg2 s PRO 5 CO 0.74 -0.57 2.06 0.41 0.04 0.00 0.00 177.00 179.69 2kg2 n GLY 6 N -1.01 5.61 3.83 0.56 0.00 -1.26 -4.97 105.19 107.95 2kg2 n GLY 6 Ca 0.08 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 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 -3.66 3.94 0.00 1.61 0.74 -1.26 -4.86 119.66 116.16 2kg2 s GLN 7 Ca 0.59 0.38 0.00 0.00 0.05 0.00 0.00 55.36 56.38 2kg2 s GLN 7 Cb 0.47 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 31.34 2kg2 s GLN 7 CO -0.11 0.64 0.00 -0.35 -0.55 0.00 0.00 175.29 174.92 2kg2 n PRO 8 N 2.01 0.00 0.00 1.67 -0.04 -1.26 -5.05 135.00 132.34 2kg2 n PRO 8 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2kg2 n PRO 8 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 0.00 0.00 0.23 0.52 0.24 -1.26 -4.90 118.33 113.16 2kg2 n VAL 9 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 2kg2 n VAL 9 Cb 0.00 -0.43 0.32 0.00 -1.47 0.00 0.00 33.84 32.26 2kg2 n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kg2 h THR 10 N 0.00 0.10 -4.11 3.34 1.03 -1.95 -3.44 112.91 107.88 2kg2 h THR 10 Ca 0.00 -0.97 -0.52 0.00 -0.01 0.00 0.00 66.41 64.91 2kg2 h THR 10 Cb 0.00 1.88 -0.25 0.00 -1.07 0.00 0.00 68.15 68.71 2kg2 h THR 10 CO 0.00 0.05 -0.82 0.00 -0.01 0.00 0.00 175.52 174.74 2kg2 s ALA 11 N -3.34 1.51 -0.06 0.00 0.00 -1.26 -4.99 121.76 113.62 2kg2 s ALA 11 Ca 0.05 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 2kg2 s ALA 11 Cb 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 2kg2 s ALA 11 CO 0.64 0.32 0.34 0.08 0.00 0.00 0.00 175.76 177.14 2kg2 s VAL 12 N -0.81 5.18 -0.01 0.00 1.01 -1.26 -4.05 120.40 120.46 2kg2 s VAL 12 Ca 0.05 0.67 0.05 0.00 0.00 0.00 0.00 61.98 62.74 2kg2 s VAL 12 Cb -0.08 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2kg2 s VAL 12 CO 0.02 0.55 -0.14 0.54 0.00 0.00 0.00 175.10 176.07 2kg2 s VAL 13 N -0.75 3.11 0.03 2.92 0.11 -1.26 -0.06 120.40 124.49 2kg2 s VAL 13 Ca 0.21 -0.87 -0.07 0.00 -2.93 0.00 0.00 61.98 58.32 2kg2 s VAL 13 Cb -0.15 -2.27 -0.00 0.00 -1.53 0.00 0.00 36.38 32.42 2kg2 s VAL 13 CO 0.10 0.47 0.13 0.00 -3.33 0.00 0.00 175.10 172.48 2kg2 s GLN 14 N -1.09 0.60 -0.12 1.54 1.03 0.60 -4.89 119.66 117.32 2kg2 s GLN 14 Ca 0.14 -0.65 -0.08 0.00 0.04 0.00 0.00 55.36 54.81 2kg2 s GLN 14 Cb -0.11 0.24 -0.04 0.00 0.03 0.00 0.00 33.01 33.13 2kg2 s GLN 14 CO 0.03 -0.16 0.17 -0.98 -2.54 0.00 0.00 175.29 171.82 2kg2 s ARG 15 N -2.35 3.60 0.21 9.60 1.04 -1.26 -0.85 118.95 128.94 2kg2 s ARG 15 Ca -0.07 -0.08 0.10 0.00 -1.04 0.00 0.00 55.73 54.64 2kg2 s ARG 15 Cb -0.02 -3.23 -0.05 0.00 -2.04 0.00 0.00 34.95 29.61 2kg2 s ARG 15 CO -0.03 0.70 -0.20 0.54 -0.04 0.00 0.00 175.30 176.27 2kg2 s VAL 16 N -0.82 2.13 -0.22 4.99 0.11 0.20 -4.94 120.40 121.85 2kg2 s VAL 16 Ca 0.15 -2.14 -0.04 0.00 -2.93 0.00 0.00 61.98 57.02 2kg2 s VAL 16 Cb -0.12 -2.08 0.07 0.00 -1.53 0.00 0.00 36.38 32.72 2kg2 s VAL 16 CO 0.04 -0.34 0.10 -0.70 -3.33 0.00 0.00 175.10 170.88 2kg2 s GLU 17 N -3.11 0.15 -0.17 1.54 2.12 -1.26 -0.58 118.70 117.39 2kg2 s GLU 17 Ca 0.22 -0.27 -0.17 0.00 0.36 0.00 0.00 54.97 55.11 2kg2 s GLU 17 Cb -0.05 -1.61 -0.04 0.00 0.26 0.00 0.00 34.13 32.69 2kg2 s GLU 17 CO 0.10 -0.80 0.42 0.42 -0.54 0.00 0.00 175.26 174.86 2kg2 s ILE 18 N 2.10 5.20 0.32 -3.70 1.09 -0.93 -4.64 121.20 120.65 2kg2 s ILE 18 Ca 0.04 0.78 0.02 0.00 -1.10 0.00 0.00 60.65 60.40 2kg2 s ILE 18 Cb -0.16 -3.75 -0.03 0.00 -1.06 0.00 0.00 42.46 37.46 2kg2 s ILE 18 CO -0.19 0.29 0.50 -1.00 -0.10 0.00 0.00 174.94 174.44 2kg2 s HIS 19 N 0.99 3.48 -0.46 3.97 3.76 -1.26 -1.76 115.29 124.02 2kg2 s HIS 19 Ca 0.21 0.24 -0.42 0.00 -0.15 0.00 0.00 55.06 54.95 2kg2 s HIS 19 Cb -0.15 -1.81 -0.17 0.00 1.11 0.00 0.00 32.58 31.56 2kg2 s HIS 19 CO 0.08 0.20 2.15 0.36 -0.85 0.00 0.00 174.74 176.68 2kg2 n LYS 20 N -1.69 0.31 -3.76 1.40 2.85 -0.18 -4.76 118.16 112.34 2kg2 n LYS 20 Ca -0.06 0.08 -0.37 0.00 -1.05 0.00 0.00 58.31 56.91 2kg2 n LYS 20 Cb 0.56 -1.77 -0.13 0.00 -0.65 0.00 0.00 35.03 33.05 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 6.33 3.81 -0.46 -5.58 2.96 -1.21 -5.04 118.68 119.49 2kg2 s LEU 21 Ca 1.17 -0.65 -0.11 0.00 -0.22 0.00 0.00 54.13 54.32 2kg2 s LEU 21 Cb -1.32 -1.89 0.09 0.00 0.50 0.00 0.00 46.19 43.58 2kg2 s LEU 21 CO 0.61 -0.18 0.34 -0.13 -1.32 0.00 0.00 176.35 175.67 2kg2 s ARG 22 N 1.52 2.68 -0.40 1.98 3.00 -1.26 -1.12 118.95 125.35 2kg2 s ARG 22 Ca 0.03 -1.55 -0.11 0.00 0.00 0.00 0.00 55.73 54.09 2kg2 s ARG 22 Cb -0.17 -3.95 0.04 0.00 0.00 0.00 0.00 34.95 30.88 2kg2 s ARG 22 CO 0.03 -1.08 0.24 -0.65 0.00 0.00 0.00 175.30 173.84 2kg2 s GLN 23 N 1.47 2.79 5.27 3.54 -1.52 -0.85 -4.94 119.66 125.42 2kg2 s GLN 23 Ca 0.04 -1.18 0.00 0.00 -1.95 0.00 0.00 55.36 52.27 2kg2 s GLN 23 Cb -0.25 -3.80 0.00 0.00 -0.22 0.00 0.00 33.01 28.75 2kg2 s GLN 23 CO 0.02 -0.79 0.00 0.41 -0.25 0.00 0.00 175.29 174.68 2kg2 n GLY 24 N 5.01 1.08 0.55 3.09 0.00 -1.26 -0.84 105.19 112.82 2kg2 n GLY 24 Ca -0.11 0.38 0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 2.07 -4.37 1.61 1.02 -1.26 -5.01 120.64 114.71 2kg2 n GLU 25 Ca 0.00 -1.73 -0.27 0.00 -0.02 0.00 0.00 57.16 55.14 2kg2 n GLU 25 Cb 0.00 -1.24 -0.09 0.00 -0.02 0.00 0.00 31.44 30.09 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 -0.96 4.19 -0.14 1.62 0.01 -0.02 -5.11 114.94 114.53 2kg2 s ASN 26 Ca 0.19 -1.24 0.01 0.00 -0.71 0.00 0.00 52.86 51.11 2kg2 s ASN 26 Cb 0.11 -0.35 0.02 0.00 0.41 0.00 0.00 41.25 41.43 2kg2 s ASN 26 CO 0.15 -0.54 -0.15 -0.22 -1.51 0.00 0.00 177.10 174.82 2kg2 s LEU 27 N -3.83 1.72 0.13 0.60 1.98 -1.26 -2.01 118.68 116.01 2kg2 s LEU 27 Ca 0.36 -0.48 0.06 0.00 -2.89 0.00 0.00 54.13 51.18 2kg2 s LEU 27 Cb 0.06 -1.17 -0.04 0.00 0.66 0.00 0.00 46.19 45.70 2kg2 s LEU 27 CO 0.19 -0.03 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.86 2kg2 s ILE 28 N 1.32 1.34 -2.16 6.68 1.01 -0.27 -3.99 121.20 125.12 2kg2 s ILE 28 Ca 0.01 -1.80 0.18 0.00 0.00 0.00 0.00 60.65 59.04 2kg2 s ILE 28 Cb -0.13 -1.61 0.45 0.00 0.01 0.00 0.00 42.46 41.17 2kg2 s ILE 28 CO -0.08 -0.48 1.55 0.18 0.00 0.00 0.00 174.94 176.11 2kg2 n LEU 29 N 0.36 1.09 0.00 2.97 4.77 -1.26 -3.33 117.00 121.61 2kg2 n LEU 29 Ca -0.14 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2kg2 n LEU 29 Cb 0.58 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2kg2 n LEU 29 CO 0.28 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2kg2 n GLY 30 N 0.99 2.19 3.91 -0.72 0.00 -1.26 -3.94 105.19 106.35 2kg2 n GLY 30 Ca 0.14 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.16 3.46 0.35 1.61 -0.12 -1.26 -3.33 117.98 118.54 2kg2 s PHE 31 Ca 0.00 0.76 0.09 0.00 -0.05 0.00 0.00 56.93 57.72 2kg2 s PHE 31 Cb 0.00 -2.45 -0.05 0.00 -0.63 0.00 0.00 43.02 39.89 2kg2 s PHE 31 CO 0.00 -0.46 0.05 -1.12 -0.05 0.00 0.00 175.22 173.64 2kg2 s SER 32 N -4.17 4.24 0.28 1.98 0.01 0.21 -4.92 113.70 111.33 2kg2 s SER 32 Ca 0.50 -1.01 0.06 0.00 1.31 0.00 0.00 55.95 56.81 2kg2 s SER 32 Cb -0.10 -0.53 -0.06 0.00 0.21 0.00 0.00 66.02 65.54 2kg2 s SER 32 CO 0.45 -0.30 -0.04 0.27 0.41 0.00 0.00 173.24 174.03 2kg2 s ILE 33 N -2.53 1.57 -0.14 1.44 -4.36 -1.26 -1.20 121.20 114.71 2kg2 s ILE 33 Ca 0.36 -2.10 0.09 0.00 -0.26 0.00 0.00 60.65 58.73 2kg2 s ILE 33 Cb 0.01 -2.48 -0.15 0.00 1.25 0.00 0.00 42.46 41.09 2kg2 s ILE 33 CO 0.20 -0.27 -0.01 0.61 0.24 0.00 0.00 174.94 175.71 2kg2 n GLY 34 N -0.59 -0.54 0.00 6.27 0.00 0.64 -4.59 105.19 106.39 2kg2 n GLY 34 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 2.33 3.55 0.00 -0.02 0.00 -1.26 -4.94 105.19 104.84 2kg2 n GLY 35 Ca -0.23 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.17 0.46 0.27 -0.02 0.00 -1.24 -4.00 105.19 99.50 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 0.36 0.00 -0.61 -2.65 -1.85 -1.68 117.51 111.08 2kg2 h ILE 37 Ca 0.00 -0.51 0.00 0.00 1.03 0.00 0.00 64.86 65.38 2kg2 h ILE 37 Cb 0.00 1.37 0.00 0.00 -2.05 0.00 0.00 36.82 36.14 2kg2 h ILE 37 CO 0.00 0.09 0.00 -0.78 0.03 0.00 0.00 178.15 177.49 2kg2 h ASP 38 N 0.00 0.00 -3.54 2.16 1.82 -1.91 -3.44 116.42 111.52 2kg2 h ASP 38 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kg2 h ASP 38 Cb 0.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.37 2kg2 h ASP 38 CO 0.01 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.64 2kg2 n GLN 39 N -2.99 0.89 -3.92 0.28 1.13 -0.63 -5.05 117.38 107.09 2kg2 n GLN 39 Ca -0.00 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.85 2kg2 n GLN 39 Cb 0.22 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.41 2kg2 n GLN 39 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2kg2 s ASP 40 N -1.00 1.04 0.60 1.08 -1.08 -1.26 -5.01 116.67 111.04 2kg2 s ASP 40 Ca 0.00 -0.07 0.31 0.00 -0.52 0.00 0.00 52.55 52.28 2kg2 s ASP 40 Cb 0.00 -0.36 1.86 0.00 -1.46 0.00 0.00 42.92 42.96 2kg2 s ASP 40 CO 0.00 -0.13 2.22 1.55 0.52 0.00 0.00 175.17 179.33 2kg2 h PRO 41 N 7.71 0.00 -0.04 4.34 0.13 -1.89 0.70 132.00 142.94 2kg2 h PRO 41 Ca -0.31 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.66 2kg2 h PRO 41 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2kg2 h PRO 41 CO 0.37 0.00 -0.69 1.03 -0.23 0.00 0.00 178.00 178.49 2kg2 h SER 42 N 0.00 0.24 -0.26 1.44 0.87 -1.91 -3.09 113.55 110.84 2kg2 h SER 42 Ca 0.02 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2kg2 h SER 42 Cb 0.15 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2kg2 h SER 42 CO -0.00 0.85 0.00 0.00 -0.53 0.00 0.00 176.83 177.15 2kg2 n GLN 43 N -3.80 2.81 -4.05 2.24 0.00 -0.13 -4.97 117.38 109.47 2kg2 n GLN 43 Ca -0.03 -2.51 -0.36 0.00 0.00 0.00 0.00 57.00 54.10 2kg2 n GLN 43 Cb 0.67 -1.60 -0.07 0.00 0.00 0.00 0.00 30.24 29.24 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 -1.65 5.99 0.06 2.61 0.02 0.05 -4.89 114.94 117.13 2kg2 s ASN 44 Ca 0.34 0.35 -0.19 0.00 -1.02 0.00 0.00 52.86 52.33 2kg2 s ASN 44 Cb 0.25 -1.86 -0.12 0.00 0.02 0.00 0.00 41.25 39.55 2kg2 s ASN 44 CO 0.10 0.40 1.43 1.55 0.02 0.00 0.00 177.10 180.60 2kg2 h PRO 45 N 5.02 0.39 -0.11 -0.60 0.13 -1.90 -3.29 132.00 131.64 2kg2 h PRO 45 Ca -0.53 -0.16 -0.09 0.00 -0.87 0.00 0.00 66.00 64.35 2kg2 h PRO 45 Cb 1.22 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 2kg2 h PRO 45 CO 0.57 0.67 -0.56 1.19 -0.23 0.00 0.00 178.00 179.64 2kg2 n PHE 46 N -4.60 0.41 -0.45 1.56 3.72 -1.26 -4.48 117.46 112.37 2kg2 n PHE 46 Ca -0.05 -1.58 0.00 0.00 -0.05 0.00 0.00 57.45 55.77 2kg2 n PHE 46 Cb 0.30 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 -1.02 0.94 -0.40 4.37 2.88 -1.24 -4.74 113.62 114.41 2kg2 n SER 47 Ca 0.22 -1.38 0.12 0.00 -1.33 0.00 0.00 58.87 56.50 2kg2 n SER 47 Cb 0.74 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.71 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 -0.19 1.54 -0.17 -1.46 0.28 -1.22 -3.91 120.64 115.50 2kg2 n GLU 48 Ca 0.00 -0.80 -0.02 0.00 -0.16 0.00 0.00 57.16 56.18 2kg2 n GLU 48 Cb 0.29 -1.42 0.08 0.00 1.43 0.00 0.00 31.44 31.81 2kg2 n GLU 48 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2kg2 h ASP 49 N 1.75 0.18 0.00 -1.84 5.19 -1.87 -3.45 116.42 116.37 2kg2 h ASP 49 Ca 0.00 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2kg2 h ASP 49 Cb 0.38 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2kg2 h ASP 49 CO 0.00 0.12 0.00 0.29 -3.12 0.00 0.00 179.24 176.53 2kg2 n LYS 50 N -5.01 0.00 -0.19 3.56 4.76 -1.25 -4.21 118.16 115.82 2kg2 n LYS 50 Ca 0.06 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.59 2kg2 n LYS 50 Cb 0.22 0.00 0.26 0.00 -1.84 0.00 0.00 35.03 33.68 2kg2 n LYS 50 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2kg2 n THR 51 N 0.00 0.49 -2.73 -0.18 -2.24 -1.26 -4.88 114.28 103.47 2kg2 n THR 51 Ca 0.00 -0.57 -0.43 0.00 -2.27 0.00 0.00 64.05 60.78 2kg2 n THR 51 Cb 0.00 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.26 6.67 0.57 3.42 2.15 -1.26 -4.87 116.67 122.09 2kg2 s ASP 52 Ca 0.33 0.53 0.04 0.00 0.43 0.00 0.00 52.55 53.88 2kg2 s ASP 52 Cb 0.18 -2.49 0.06 0.00 -0.30 0.00 0.00 42.92 40.37 2kg2 s ASP 52 CO 0.25 -1.00 0.79 -0.54 -0.17 0.00 0.00 175.17 174.50 2kg2 s LYS 53 N 3.80 2.35 0.00 4.34 1.02 -1.26 -4.81 119.74 125.18 2kg2 s LYS 53 Ca 0.41 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 55.28 2kg2 s LYS 53 Cb -0.10 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 2kg2 s LYS 53 CO 0.23 -0.82 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 2kg2 n GLY 54 N -2.34 3.69 3.71 -3.33 0.00 -1.26 -4.77 105.19 100.89 2kg2 n GLY 54 Ca 0.11 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 3.74 0.10 -0.61 -1.09 -1.26 -3.63 121.20 116.45 2kg2 s ILE 55 Ca 0.00 1.23 0.01 0.00 -2.23 0.00 0.00 60.65 59.66 2kg2 s ILE 55 Cb 0.00 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2kg2 s ILE 55 CO 0.00 0.08 -0.05 -0.72 -1.23 0.00 0.00 174.94 173.02 2kg2 s TYR 56 N 1.33 0.87 -0.01 3.97 -0.85 -1.26 0.21 117.35 121.60 2kg2 s TYR 56 Ca 0.61 -0.96 -0.24 0.00 -0.52 0.00 0.00 57.07 55.97 2kg2 s TYR 56 Cb -0.32 -0.51 -0.05 0.00 0.38 0.00 0.00 41.96 41.46 2kg2 s TYR 56 CO 0.29 -0.20 0.72 0.08 -1.52 0.00 0.00 175.55 174.92 2kg2 s VAL 57 N -3.68 4.90 -0.12 -3.49 1.01 -1.26 -0.26 120.40 117.50 2kg2 s VAL 57 Ca 0.13 1.50 0.15 0.00 0.00 0.00 0.00 61.98 63.76 2kg2 s VAL 57 Cb 0.06 -4.06 -0.21 0.00 0.00 0.00 0.00 36.38 32.16 2kg2 s VAL 57 CO -0.04 0.32 0.14 0.35 0.00 0.00 0.00 175.10 175.87 2kg2 n THR 58 N 3.25 0.77 -3.77 3.92 -2.24 -0.34 -1.08 114.28 114.79 2kg2 n THR 58 Ca -0.02 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 61.04 2kg2 n THR 58 Cb 0.51 -0.38 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.61 0.15 0.35 -0.78 0.52 -1.23 -4.89 118.95 110.46 2kg2 s ARG 59 Ca -0.07 0.35 0.04 0.00 -0.52 0.00 0.00 55.73 55.53 2kg2 s ARG 59 Cb 0.06 -0.08 0.06 0.00 0.52 0.00 0.00 34.95 35.52 2kg2 s ARG 59 CO 0.66 -0.12 0.49 1.33 0.02 0.00 0.00 175.30 177.68 2kg2 n VAL 60 N 3.82 0.00 -2.10 3.52 0.24 -1.26 0.68 118.33 123.22 2kg2 n VAL 60 Ca -0.22 -1.04 -0.42 0.00 -2.04 0.00 0.00 64.34 60.62 2kg2 n VAL 60 Cb 0.54 -0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 32.05 2kg2 n VAL 60 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kg2 s SER 61 N -3.12 6.75 0.60 -1.34 0.01 -1.21 -4.56 113.70 110.83 2kg2 s SER 61 Ca 0.36 2.30 0.28 0.00 1.31 0.00 0.00 55.95 60.20 2kg2 s SER 61 Cb -0.03 -2.57 1.29 0.00 0.21 0.00 0.00 66.02 64.93 2kg2 s SER 61 CO 0.23 -0.77 1.70 1.05 0.41 0.00 0.00 173.24 175.86 2kg2 h GLU 62 N 7.73 0.00 0.00 12.44 4.11 -1.95 -3.25 114.58 133.66 2kg2 h GLU 62 Ca -0.40 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.92 2kg2 h GLU 62 Cb 1.19 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 2kg2 h GLU 62 CO 0.90 0.00 0.09 0.41 0.07 0.00 0.00 179.01 180.49 2kg2 n GLY 63 N -1.55 -1.30 0.00 1.06 0.00 -1.26 -5.11 105.19 97.03 2kg2 n GLY 63 Ca 0.12 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 0.27 4.18 0.31 -0.02 0.00 -1.23 -5.04 105.19 103.67 2kg2 n GLY 64 Ca -0.10 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.32 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 0.60 0.57 1.61 0.13 -1.86 -1.49 132.00 131.56 2kg2 h PRO 65 Ca 0.00 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 2kg2 h PRO 65 Cb 0.00 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 30.99 2kg2 h PRO 65 CO 0.00 0.39 -0.40 0.00 -0.23 0.00 0.00 178.00 177.77 2kg2 h ALA 66 N 1.72 -0.97 0.00 -0.56 0.00 -1.90 0.19 119.26 117.74 2kg2 h ALA 66 Ca 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2kg2 h ALA 66 Cb -0.06 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kg2 h ALA 66 CO -0.04 -1.07 -0.12 1.05 0.00 0.00 0.00 179.25 179.08 2kg2 h GLU 67 N -0.93 0.00 -0.42 0.00 4.11 -1.62 0.43 114.58 116.14 2kg2 h GLU 67 Ca -0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.27 2kg2 h GLU 67 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2kg2 h GLU 67 CO 0.04 0.12 -0.12 0.82 0.07 0.00 0.00 179.01 179.94 2kg2 h ILE 68 N 0.00 1.27 0.18 -1.06 1.08 -0.99 -3.29 117.51 114.71 2kg2 h ILE 68 Ca -0.00 -1.22 -0.25 0.00 -0.39 0.00 0.00 64.86 63.00 2kg2 h ILE 68 Cb 0.86 1.20 0.03 0.00 -3.07 0.00 0.00 36.82 35.84 2kg2 h ILE 68 CO 0.02 0.41 -1.10 0.00 -0.69 0.00 0.00 178.15 176.79 2kg2 h ALA 69 N 0.85 -0.10 0.00 1.87 0.00 -0.44 -3.48 119.26 117.96 2kg2 h ALA 69 Ca 0.10 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2kg2 h ALA 69 Cb 0.65 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2kg2 h ALA 69 CO 0.04 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2kg2 n GLY 70 N 1.70 0.67 3.64 0.00 0.00 0.11 -4.82 105.19 106.49 2kg2 n GLY 70 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.09 0.99 2.96 0.13 -4.98 118.68 121.69 2kg2 s LEU 71 Ca 0.00 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 2kg2 s LEU 71 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 2kg2 s LEU 71 CO 0.00 -0.93 -0.09 -1.10 -1.32 0.00 0.00 176.35 172.90 2kg2 s GLN 72 N 3.85 3.02 0.43 1.98 -1.52 -1.26 -4.17 119.66 121.99 2kg2 s GLN 72 Ca 0.55 -0.61 -0.24 0.00 -1.95 0.00 0.00 55.36 53.11 2kg2 s GLN 72 Cb -0.18 -2.61 -0.10 0.00 -0.22 0.00 0.00 33.01 29.90 2kg2 s GLN 72 CO 0.19 0.47 1.06 -0.89 -0.25 0.00 0.00 175.29 175.86 2kg2 n ILE 73 N 2.80 2.57 -2.65 1.08 5.41 -1.26 -3.20 119.36 124.10 2kg2 n ILE 73 Ca -0.18 -0.50 -0.08 0.00 1.00 0.00 0.00 62.75 62.99 2kg2 n ILE 73 Cb 0.53 -1.23 0.02 0.00 -0.71 0.00 0.00 39.64 38.24 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 1.12 0.29 0.08 7.39 0.00 -0.24 -4.95 105.19 108.87 2kg2 n GLY 74 Ca 0.09 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 2kg2 n GLY 74 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2kg2 h ASP 75 N -0.67 0.00 -3.95 1.61 2.03 -1.73 -3.30 116.42 110.42 2kg2 h ASP 75 Ca -0.20 -0.57 0.00 0.00 -0.73 0.00 0.00 57.03 55.53 2kg2 h ASP 75 Cb 1.14 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.57 2kg2 h ASP 75 CO 0.21 1.09 -0.76 0.29 -1.03 0.00 0.00 179.24 179.04 2kg2 n LYS 76 N -4.57 -2.26 -2.91 4.15 5.02 -1.26 -3.03 118.16 113.30 2kg2 n LYS 76 Ca -0.17 1.95 -0.41 0.00 -2.02 0.00 0.00 58.31 57.67 2kg2 n LYS 76 Cb 0.47 -2.94 -0.04 0.00 -0.02 0.00 0.00 35.03 32.50 2kg2 n LYS 76 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kg2 s ILE 77 N -0.32 4.94 -0.04 -0.18 1.01 0.13 -2.46 121.20 124.29 2kg2 s ILE 77 Ca -0.13 1.70 0.10 0.00 0.00 0.00 0.00 60.65 62.32 2kg2 s ILE 77 Cb 0.01 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 38.17 2kg2 s ILE 77 CO 0.36 0.23 0.18 0.23 0.00 0.00 0.00 174.94 175.94 2kg2 n MET 78 N 3.72 0.90 -3.78 2.79 2.81 0.62 -4.26 117.12 119.92 2kg2 n MET 78 Ca 0.01 -0.07 -0.13 0.00 -1.81 0.00 0.00 57.70 55.70 2kg2 n MET 78 Cb 0.51 -1.26 -0.14 0.00 -0.71 0.00 0.00 33.22 31.62 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 -2.62 0.10 -0.11 0.03 -0.44 -1.01 -0.34 119.66 115.28 2kg2 s GLN 79 Ca -0.04 0.28 -0.03 0.00 -2.50 0.00 0.00 55.36 53.06 2kg2 s GLN 79 Cb 0.06 -0.08 0.05 0.00 -1.64 0.00 0.00 33.01 31.39 2kg2 s GLN 79 CO 0.44 -0.10 0.08 0.08 0.50 0.00 0.00 175.29 176.29 2kg2 s VAL 80 N 0.71 -0.11 -1.40 1.34 1.01 -1.26 0.20 120.40 120.89 2kg2 s VAL 80 Ca -0.05 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 2kg2 s VAL 80 Cb -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.95 2kg2 s VAL 80 CO -0.03 -0.04 0.41 -3.20 0.00 0.00 0.00 175.10 172.24 2kg2 n ASN 81 N 5.29 -0.33 0.00 3.32 4.05 0.17 -0.19 115.26 127.57 2kg2 n ASN 81 Ca -0.05 -1.01 0.00 0.00 0.45 0.00 0.00 54.58 53.97 2kg2 n ASN 81 Cb 0.50 -3.03 0.00 0.00 1.23 0.00 0.00 39.78 38.47 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 -1.99 0.95 0.22 8.20 0.00 -1.26 -4.77 105.19 106.54 2kg2 n GLY 82 Ca -0.31 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.83 2kg2 n GLY 82 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2kg2 h TRP 83 N 0.00 0.00 -2.68 1.61 5.08 -0.96 -3.49 115.95 115.51 2kg2 h TRP 83 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2kg2 h TRP 83 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2kg2 h TRP 83 CO 0.00 0.13 -0.35 -3.47 -1.28 0.00 0.00 178.44 173.46 2kg2 n ASP 84 N -3.18 -4.67 -0.11 0.11 2.03 -1.20 -4.92 116.55 104.60 2kg2 n ASP 84 Ca 0.02 0.61 0.11 0.00 0.52 0.00 0.00 54.79 56.05 2kg2 n ASP 84 Cb 0.48 -2.51 0.13 0.00 -0.72 0.00 0.00 41.12 38.49 2kg2 n ASP 84 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2kg2 n MET 85 N 0.68 0.30 -1.65 -0.67 0.00 0.54 -4.74 117.12 111.58 2kg2 n MET 85 Ca 0.00 -0.21 -0.53 0.00 -0.00 0.00 0.00 57.70 56.96 2kg2 n MET 85 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.66 2kg2 n MET 85 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2kg2 n THR 86 N -1.16 0.17 -3.04 1.12 5.66 -0.52 -3.91 114.28 112.60 2kg2 n THR 86 Ca 0.07 -0.03 -0.16 0.00 -3.05 0.00 0.00 64.05 60.87 2kg2 n THR 86 Cb 0.35 -1.17 0.02 0.00 -1.55 0.00 0.00 70.33 67.98 2kg2 n THR 86 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 2kg2 n MET 87 N 4.08 -2.27 -3.85 1.09 0.00 -1.26 -5.05 117.12 109.85 2kg2 n MET 87 Ca 0.21 1.94 -0.12 0.00 0.00 0.00 0.00 57.70 59.74 2kg2 n MET 87 Cb 0.20 -4.52 -0.10 0.00 0.00 0.00 0.00 33.22 28.80 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 -2.19 0.06 0.71 1.12 0.11 -1.25 -5.04 120.40 113.92 2kg2 s VAL 88 Ca 0.27 -0.53 -0.13 0.00 -2.93 0.00 0.00 61.98 58.65 2kg2 s VAL 88 Cb -0.06 -0.41 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 2kg2 s VAL 88 CO 0.78 -0.29 1.11 0.42 -3.33 0.00 0.00 175.10 173.79 2kg2 s THR 89 N -1.08 3.22 0.25 5.04 -4.23 -1.26 -3.68 115.64 113.90 2kg2 s THR 89 Ca -0.12 0.50 -0.04 0.00 -1.18 0.00 0.00 61.69 60.85 2kg2 s THR 89 Cb -0.06 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 71.01 2kg2 s THR 89 CO 0.02 -0.41 1.85 -0.74 -0.54 0.00 0.00 174.62 174.79 2kg2 h HIS 90 N -0.43 1.01 0.38 3.99 2.76 -1.91 0.05 115.15 120.99 2kg2 h HIS 90 Ca -0.46 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.73 2kg2 h HIS 90 Cb 1.24 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.88 2kg2 h HIS 90 CO 0.55 0.48 -0.18 0.22 -1.30 0.00 0.00 177.93 177.70 2kg2 h ASP 91 N 0.97 -0.43 0.32 3.26 3.58 -1.99 0.23 116.42 122.36 2kg2 h ASP 91 Ca 0.40 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.77 2kg2 h ASP 91 Cb 0.24 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2kg2 h ASP 91 CO -0.20 -0.30 -0.39 1.56 -2.88 0.00 0.00 179.24 177.03 2kg2 h GLN 92 N -0.51 0.10 -0.09 0.28 7.50 -1.86 -1.11 115.11 119.41 2kg2 h GLN 92 Ca -0.05 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.03 2kg2 h GLN 92 Cb 0.39 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.92 2kg2 h GLN 92 CO 0.09 0.48 -0.03 0.00 -1.50 0.00 0.00 178.83 177.87 2kg2 h ALA 93 N 1.51 0.13 -0.66 3.87 0.00 -0.76 -3.10 119.26 120.25 2kg2 h ALA 93 Ca 0.01 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2kg2 h ALA 93 Cb 0.74 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2kg2 h ALA 93 CO 0.06 -0.13 0.36 0.00 0.00 0.00 0.00 179.25 179.53 2kg2 h ARG 94 N -0.15 0.65 -1.00 0.00 2.47 0.07 0.26 114.38 116.67 2kg2 h ARG 94 Ca 0.02 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 2kg2 h ARG 94 Cb 0.44 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 2kg2 h ARG 94 CO 0.01 0.43 0.02 1.63 0.56 0.00 0.00 179.97 182.62 2kg2 n LYS 95 N -4.80 1.07 0.00 0.04 4.76 -0.48 -0.96 118.16 117.79 2kg2 n LYS 95 Ca 0.08 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2kg2 n LYS 95 Cb 0.18 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 2kg2 n LYS 95 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2kg2 n ARG 96 N 0.37 0.00 -0.03 1.97 0.00 -0.37 -4.72 116.66 113.87 2kg2 n ARG 96 Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.72 2kg2 n ARG 96 Cb 0.51 -0.16 -0.14 0.00 0.00 0.00 0.00 32.46 32.67 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 -2.09 1.74 -1.14 6.15 -0.00 0.78 -4.17 117.00 118.27 2kg2 n LEU 97 Ca 0.00 0.22 0.10 0.00 -0.00 0.00 0.00 56.01 56.33 2kg2 n LEU 97 Cb 0.00 -0.44 0.26 0.00 -0.00 0.00 0.00 43.42 43.24 2kg2 n LEU 97 CO 0.00 0.65 0.72 1.07 -0.00 0.00 0.00 177.39 179.84 2kg2 n THR 98 N -3.21 0.92 -1.89 1.47 5.66 -0.14 -4.06 114.28 113.02 2kg2 n THR 98 Ca -0.28 -0.96 -0.37 0.00 -3.05 0.00 0.00 64.05 59.39 2kg2 n THR 98 Cb 1.06 0.57 0.04 0.00 -1.55 0.00 0.00 70.33 70.45 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 -1.06 2.94 -0.10 1.09 -2.85 -1.04 -4.83 119.74 113.89 2kg2 s LYS 99 Ca 0.41 2.00 0.15 0.00 -1.00 0.00 0.00 55.97 57.52 2kg2 s LYS 99 Cb 0.22 -2.02 0.60 0.00 -2.06 0.00 0.00 37.83 34.57 2kg2 s LYS 99 CO 0.28 -1.28 1.47 2.89 0.10 0.00 0.00 175.35 178.82 2kg2 n ARG 100 N -1.47 3.29 -0.00 1.78 1.85 -1.26 -3.87 116.66 116.98 2kg2 n ARG 100 Ca 0.13 -2.35 -0.01 0.00 -1.00 0.00 0.00 57.85 54.62 2kg2 n ARG 100 Cb 0.48 -1.80 -0.11 0.00 -1.05 0.00 0.00 32.46 29.98 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 0.87 0.56 -3.60 2.89 7.64 -1.26 -4.54 113.62 116.17 2kg2 n SER 101 Ca 0.21 0.25 -0.26 0.00 1.01 0.00 0.00 58.87 60.08 2kg2 n SER 101 Cb 0.77 0.59 0.19 0.00 -1.01 0.00 0.00 64.21 64.75 2kg2 n SER 101 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kg2 n GLU 102 N -2.77 -1.64 0.00 1.43 -0.58 -1.25 -5.05 120.64 110.78 2kg2 n GLU 102 Ca -0.14 -1.73 0.00 0.00 -0.42 0.00 0.00 57.16 54.87 2kg2 n GLU 102 Cb 0.87 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.47 2kg2 n GLU 102 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2kg2 n GLU 103 N -3.75 0.00 -5.22 3.49 0.28 -1.26 -4.94 120.64 109.24 2kg2 n GLU 103 Ca 0.14 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.83 2kg2 n GLU 103 Cb 0.51 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.22 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 -0.67 2.14 0.02 3.84 0.11 -1.25 -1.01 120.40 123.58 2kg2 s VAL 104 Ca 0.00 -1.03 -0.00 0.00 -2.93 0.00 0.00 61.98 58.02 2kg2 s VAL 104 Cb 0.00 -1.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.04 2kg2 s VAL 104 CO 0.00 0.57 -0.03 0.68 -3.33 0.00 0.00 175.10 172.99 2kg2 s VAL 105 N -0.08 0.11 -0.20 2.04 -7.23 -0.72 -4.99 120.40 109.33 2kg2 s VAL 105 Ca -0.06 -0.89 -0.07 0.00 -1.81 0.00 0.00 61.98 59.14 2kg2 s VAL 105 Cb -0.14 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 2kg2 s VAL 105 CO 0.05 -0.49 0.06 -0.60 -0.31 0.00 0.00 175.10 173.81 2kg2 s ARG 106 N -1.43 3.89 0.08 4.82 3.52 -1.26 -2.20 118.95 126.37 2kg2 s ARG 106 Ca -0.16 -0.38 0.09 0.00 -0.13 0.00 0.00 55.73 55.15 2kg2 s ARG 106 Cb -0.10 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 2kg2 s ARG 106 CO -0.01 0.15 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.88 2kg2 s LEU 107 N 0.71 2.24 -0.18 -0.88 1.43 0.25 0.45 118.68 122.71 2kg2 s LEU 107 Ca 0.03 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2kg2 s LEU 107 Cb -0.13 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2kg2 s LEU 107 CO 0.02 0.16 -0.09 -0.76 0.23 0.00 0.00 176.35 175.91 2kg2 s LEU 108 N -1.62 2.76 0.14 1.79 1.02 0.13 0.60 118.68 123.49 2kg2 s LEU 108 Ca 0.10 -0.39 0.09 0.00 0.02 0.00 0.00 54.13 53.95 2kg2 s LEU 108 Cb -0.10 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 2kg2 s LEU 108 CO 0.04 0.06 -0.19 0.68 0.02 0.00 0.00 176.35 176.95 2kg2 s VAL 109 N 0.99 1.81 0.40 -1.59 -7.23 -0.03 -0.28 120.40 114.47 2kg2 s VAL 109 Ca -0.01 -1.79 0.08 0.00 -1.81 0.00 0.00 61.98 58.45 2kg2 s VAL 109 Cb -0.15 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 2kg2 s VAL 109 CO -0.01 -0.21 0.36 0.42 -0.31 0.00 0.00 175.10 175.35 2kg2 s THR 110 N -1.71 2.90 -0.38 5.32 -4.23 -1.03 -0.30 115.64 116.21 2kg2 s THR 110 Ca 0.13 -1.34 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 2kg2 s THR 110 Cb -0.07 -3.05 0.09 0.00 1.34 0.00 0.00 72.50 70.81 2kg2 s THR 110 CO 0.06 -0.05 0.14 -0.13 -0.54 0.00 0.00 174.62 174.11 2kg2 s ARG 111 N -4.10 2.06 -0.14 3.99 1.81 0.91 -4.29 118.95 119.18 2kg2 s ARG 111 Ca 0.46 -1.69 -0.13 0.00 -1.72 0.00 0.00 55.73 52.65 2kg2 s ARG 111 Cb -0.04 -3.46 -0.11 0.00 -0.45 0.00 0.00 34.95 30.89 2kg2 s ARG 111 CO 0.28 -0.95 0.19 1.96 -0.68 0.00 0.00 175.30 176.10 2kg2 h GLN 112 N 8.00 0.00 -5.19 3.54 1.08 -1.71 -3.35 115.11 117.47 2kg2 h GLN 112 Ca -0.14 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.69 2kg2 h GLN 112 Cb 1.05 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.43 2kg2 h GLN 112 CO 0.64 0.43 -0.55 0.45 -0.95 0.00 0.00 178.83 178.86 2kg2 n SER 113 N -4.64 -4.09 -2.64 1.46 2.88 -1.25 -3.23 113.62 102.11 2kg2 n SER 113 Ca -0.10 -0.33 -0.00 0.00 -1.33 0.00 0.00 58.87 57.10 2kg2 n SER 113 Cb 0.30 -3.38 -0.00 0.00 -0.75 0.00 0.00 64.21 60.38 2kg2 n SER 113 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kg2 n LEU 114 N -3.71 -7.58 0.30 2.46 4.32 -1.26 -4.91 117.00 106.62 2kg2 n LEU 114 Ca -0.04 1.41 0.18 0.00 -0.02 0.00 0.00 56.01 57.54 2kg2 n LEU 114 Cb 0.56 -3.22 0.91 0.00 -1.62 0.00 0.00 43.42 40.05 2kg2 n LEU 114 CO 0.48 -3.10 1.07 1.56 -1.22 0.00 0.00 177.39 176.18 2kg2 h GLN 115 N 2.94 0.00 -1.48 3.23 4.20 -1.80 -3.50 115.11 118.71 2kg2 h GLN 115 Ca -0.04 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.85 2kg2 h GLN 115 Cb 0.08 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 2kg2 h GLN 115 CO 0.09 0.04 -0.27 1.63 -0.67 0.00 0.00 178.83 179.65 2kg2 n LYS 116 N -3.34 -1.35 -2.34 1.46 4.01 -1.26 -4.83 118.16 110.50 2kg2 n LYS 116 Ca -0.02 0.92 -0.39 0.00 -0.51 0.00 0.00 58.31 58.30 2kg2 n LYS 116 Cb 0.18 -1.64 -0.03 0.00 -0.51 0.00 0.00 35.03 33.03 2kg2 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kg2 s ALA 117 N -1.76 3.31 -0.55 7.82 0.00 -1.26 -4.87 121.76 124.44 2kg2 s ALA 117 Ca 0.00 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 2kg2 s ALA 117 Cb 0.00 -3.37 0.19 0.00 0.00 0.00 0.00 23.12 19.94 2kg2 s ALA 117 CO 0.00 -0.40 2.42 1.55 0.00 0.00 0.00 175.76 179.33 2kg2 n VAL 118 N 0.60 3.34 -4.39 0.00 3.14 -1.26 -4.48 118.33 115.28 2kg2 n VAL 118 Ca 0.02 -3.13 -0.34 0.00 -2.96 0.00 0.00 64.34 57.92 2kg2 n VAL 118 Cb 0.45 -1.43 -0.10 0.00 -1.06 0.00 0.00 33.84 31.70 2kg2 n VAL 118 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2kg2 s GLN 119 N -2.51 2.92 -1.46 1.45 0.74 -1.26 -4.39 119.66 115.15 2kg2 s GLN 119 Ca 0.54 -0.46 -0.04 0.00 0.05 0.00 0.00 55.36 55.45 2kg2 s GLN 119 Cb 0.39 -2.75 0.02 0.00 1.10 0.00 0.00 33.01 31.77 2kg2 s GLN 119 CO -0.22 0.69 0.38 1.04 -0.55 0.00 0.00 175.29 176.62 2kg2 n GLN 120 N 2.02 -3.59 -3.03 1.67 6.02 -1.26 -3.64 117.38 115.58 2kg2 n GLN 120 Ca -0.18 0.78 -0.13 0.00 -0.01 0.00 0.00 57.00 57.47 2kg2 n GLN 120 Cb 0.53 -5.54 0.01 0.00 1.02 0.00 0.00 30.24 26.27 2kg2 n GLN 120 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2kg2 n SER 121 N -2.27 -7.20 -4.45 1.08 3.41 -1.26 -4.90 113.62 98.03 2kg2 n SER 121 Ca -0.12 0.56 -0.44 0.00 -0.26 0.00 0.00 58.87 58.61 2kg2 n SER 121 Cb 0.61 -3.96 -0.03 0.00 -0.26 0.00 0.00 64.21 60.58 2kg2 n SER 121 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2kg2 s MET 122 N -2.13 3.47 0.00 4.33 -1.94 -1.24 -4.72 119.30 117.07 2kg2 s MET 122 Ca 0.19 -1.50 0.00 0.00 -1.71 0.00 0.00 55.69 52.67 2kg2 s MET 122 Cb -0.04 -4.75 0.00 0.00 2.01 0.00 0.00 34.83 32.05 2kg2 s MET 122 CO 0.70 -1.79 0.00 1.28 -0.01 0.00 0.00 175.02 175.19 2kg2 n LEU 123 N 6.91 0.04 0.00 -0.03 7.99 -1.26 -4.74 117.00 125.91 2kg2 n LEU 123 Ca 0.17 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 2kg2 n LEU 123 Cb 0.48 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 2kg2 n LEU 123 CO 0.54 -0.38 0.00 -0.24 -1.51 0.00 0.00 177.39 175.80