#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 -2.37 -4.61 1.61 2.88 -1.26 -4.79 113.62 105.09 2kg2 n SER 2 Ca 0.00 0.41 -0.42 0.00 -1.33 0.00 0.00 58.87 57.53 2kg2 n SER 2 Cb 0.00 -1.46 -0.04 0.00 -0.75 0.00 0.00 64.21 61.96 2kg2 n SER 2 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2kg2 s TYR 3 N -3.20 3.14 -0.34 0.66 6.14 -1.26 -5.01 117.35 117.49 2kg2 s TYR 3 Ca 0.00 0.79 -0.05 0.00 0.64 0.00 0.00 57.07 58.45 2kg2 s TYR 3 Cb 0.00 -3.43 0.05 0.00 0.42 0.00 0.00 41.96 39.00 2kg2 s TYR 3 CO 0.00 -0.69 0.09 0.42 0.64 0.00 0.00 175.55 176.00 2kg2 s ILE 4 N 3.21 3.52 1.03 3.14 1.01 -1.26 -5.10 121.20 126.74 2kg2 s ILE 4 Ca 0.35 -1.30 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 2kg2 s ILE 4 Cb -0.13 -3.05 0.20 0.00 0.01 0.00 0.00 42.46 39.50 2kg2 s ILE 4 CO 0.15 -0.22 1.13 -2.16 0.00 0.00 0.00 174.94 173.84 2kg2 s PRO 5 N 1.34 0.19 -0.04 2.79 0.04 -1.26 -4.90 135.00 133.15 2kg2 s PRO 5 Ca -0.02 0.23 -0.03 0.00 0.04 0.00 0.00 61.00 61.22 2kg2 s PRO 5 Cb -0.20 -1.73 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 2kg2 s PRO 5 CO 0.01 -2.83 2.79 0.41 0.04 0.00 0.00 177.00 177.42 2kg2 n GLY 6 N -1.55 2.93 3.72 0.56 0.00 -1.26 -4.90 105.19 104.68 2kg2 n GLY 6 Ca 0.08 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 0.25 4.36 0.00 1.61 0.74 -1.26 -4.95 119.66 120.41 2kg2 s GLN 7 Ca 0.36 1.99 0.00 0.00 0.05 0.00 0.00 55.36 57.75 2kg2 s GLN 7 Cb 0.18 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 31.02 2kg2 s GLN 7 CO -0.01 -0.37 0.00 -0.35 -0.55 0.00 0.00 175.29 174.01 2kg2 n PRO 8 N 3.83 0.00 0.00 1.67 -0.04 -1.26 -4.99 135.00 134.21 2kg2 n PRO 8 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2kg2 n PRO 8 Cb 0.43 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2kg2 n PRO 8 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2kg2 n VAL 9 N 0.00 0.00 0.18 0.52 0.24 -1.26 -4.94 118.33 113.07 2kg2 n VAL 9 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.37 2kg2 n VAL 9 Cb 0.00 -0.07 0.14 0.00 -1.47 0.00 0.00 33.84 32.44 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 0.50 -4.08 3.34 1.03 -1.97 -3.42 112.91 108.32 2kg2 h THR 10 Ca 0.00 -1.63 -0.64 0.00 -0.01 0.00 0.00 66.41 64.13 2kg2 h THR 10 Cb 0.00 2.19 -0.31 0.00 -1.07 0.00 0.00 68.15 68.96 2kg2 h THR 10 CO 0.00 0.28 -0.87 0.00 -0.01 0.00 0.00 175.52 174.92 2kg2 s ALA 11 N -3.13 1.89 -0.50 0.00 0.00 -1.26 -4.80 121.76 113.96 2kg2 s ALA 11 Ca 0.05 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 2kg2 s ALA 11 Cb 0.07 -0.58 0.07 0.00 0.00 0.00 0.00 23.12 22.68 2kg2 s ALA 11 CO 0.70 0.38 0.53 0.08 0.00 0.00 0.00 175.76 177.45 2kg2 s VAL 12 N -0.17 5.03 -0.35 0.00 1.01 -0.82 -4.01 120.40 121.09 2kg2 s VAL 12 Ca -0.01 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 2kg2 s VAL 12 Cb -0.12 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.03 2kg2 s VAL 12 CO 0.02 -0.73 0.94 -0.69 0.00 0.00 0.00 175.10 174.64 2kg2 s VAL 13 N 2.20 4.59 0.12 2.92 1.01 -1.26 -0.12 120.40 129.86 2kg2 s VAL 13 Ca 0.10 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.46 2kg2 s VAL 13 Cb -0.22 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 2kg2 s VAL 13 CO 0.09 -0.49 -0.16 0.00 0.00 0.00 0.00 175.10 174.55 2kg2 s GLN 14 N 3.45 1.04 0.08 2.72 1.03 0.40 -4.75 119.66 123.64 2kg2 s GLN 14 Ca 0.39 -1.21 -0.10 0.00 0.04 0.00 0.00 55.36 54.49 2kg2 s GLN 14 Cb -0.12 -1.02 -0.06 0.00 0.03 0.00 0.00 33.01 31.84 2kg2 s GLN 14 CO 0.17 0.21 0.40 -0.98 -2.54 0.00 0.00 175.29 172.55 2kg2 s ARG 15 N -2.44 3.75 0.22 9.60 1.04 -1.26 -0.72 118.95 129.13 2kg2 s ARG 15 Ca 0.08 0.16 0.11 0.00 -1.04 0.00 0.00 55.73 55.04 2kg2 s ARG 15 Cb -0.06 -2.99 -0.05 0.00 -2.04 0.00 0.00 34.95 29.81 2kg2 s ARG 15 CO 0.04 0.56 -0.21 0.08 -0.04 0.00 0.00 175.30 175.73 2kg2 s VAL 16 N -1.40 2.22 -0.25 4.99 1.01 0.20 -4.85 120.40 122.32 2kg2 s VAL 16 Ca 0.33 -2.15 -0.03 0.00 0.00 0.00 0.00 61.98 60.13 2kg2 s VAL 16 Cb -0.14 -2.11 0.10 0.00 0.00 0.00 0.00 36.38 34.23 2kg2 s VAL 16 CO 0.18 -0.30 0.21 -0.70 0.00 0.00 0.00 175.10 174.49 2kg2 s GLU 17 N -3.06 0.21 -0.20 2.72 2.12 -1.26 -0.59 118.70 118.65 2kg2 s GLU 17 Ca 0.23 -0.11 -0.11 0.00 0.36 0.00 0.00 54.97 55.34 2kg2 s GLU 17 Cb -0.06 -1.11 -0.05 0.00 0.26 0.00 0.00 34.13 33.17 2kg2 s GLU 17 CO 0.11 -0.85 0.17 0.42 -0.54 0.00 0.00 175.26 174.56 2kg2 s ILE 18 N 2.26 5.38 -0.04 -3.70 1.09 -0.74 -4.47 121.20 120.99 2kg2 s ILE 18 Ca 0.08 0.27 -0.04 0.00 -1.10 0.00 0.00 60.65 59.86 2kg2 s ILE 18 Cb -0.15 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.70 2kg2 s ILE 18 CO -0.24 0.42 0.17 -1.00 -0.10 0.00 0.00 174.94 174.18 2kg2 s HIS 19 N 0.48 3.55 -0.13 3.97 3.76 -1.26 -1.03 115.29 124.63 2kg2 s HIS 19 Ca 0.10 0.39 -0.42 0.00 -0.15 0.00 0.00 55.06 54.98 2kg2 s HIS 19 Cb -0.12 -1.85 -0.20 0.00 1.11 0.00 0.00 32.58 31.52 2kg2 s HIS 19 CO 0.00 0.66 1.23 0.36 -0.85 0.00 0.00 174.74 176.14 2kg2 n LYS 20 N 1.20 0.06 -4.53 1.40 2.85 -1.17 -4.68 118.16 113.28 2kg2 n LYS 20 Ca -0.13 0.02 -0.29 0.00 -1.05 0.00 0.00 58.31 56.86 2kg2 n LYS 20 Cb 0.53 -1.53 -0.17 0.00 -0.65 0.00 0.00 35.03 33.22 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 0.86 1.77 -0.33 -5.58 2.96 -1.03 -5.01 118.68 112.33 2kg2 s LEU 21 Ca 0.95 -0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 54.22 2kg2 s LEU 21 Cb -1.32 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.25 2kg2 s LEU 21 CO 0.63 0.03 0.58 -0.13 -1.32 0.00 0.00 176.35 176.14 2kg2 s ARG 22 N 0.91 3.78 -0.42 1.98 0.52 -1.26 0.07 118.95 124.54 2kg2 s ARG 22 Ca -0.08 0.09 -0.05 0.00 -0.52 0.00 0.00 55.73 55.17 2kg2 s ARG 22 Cb -0.15 -3.76 0.10 0.00 0.52 0.00 0.00 34.95 31.66 2kg2 s ARG 22 CO -0.01 -0.60 0.23 -0.65 0.02 0.00 0.00 175.30 174.29 2kg2 s GLN 23 N 2.52 2.21 7.50 3.54 -0.21 0.04 -4.94 119.66 130.32 2kg2 s GLN 23 Ca 0.22 -1.73 0.00 0.00 0.02 0.00 0.00 55.36 53.88 2kg2 s GLN 23 Cb -0.15 -3.66 0.00 0.00 1.00 0.00 0.00 33.01 30.20 2kg2 s GLN 23 CO 0.13 -1.06 0.00 0.41 -2.12 0.00 0.00 175.29 172.65 2kg2 n GLY 24 N 4.70 2.96 1.31 3.09 0.00 -1.26 -1.76 105.19 114.24 2kg2 n GLY 24 Ca -0.05 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 9.83 2.70 -4.55 1.61 1.02 -1.26 -4.94 120.64 125.05 2kg2 n GLU 25 Ca 0.00 -2.60 -0.26 0.00 -0.02 0.00 0.00 57.16 54.28 2kg2 n GLU 25 Cb 0.00 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 29.76 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 -1.07 3.62 -0.30 1.62 0.01 -0.72 -5.10 114.94 113.00 2kg2 s ASN 26 Ca 0.47 -1.26 0.01 0.00 -0.71 0.00 0.00 52.86 51.37 2kg2 s ASN 26 Cb 0.25 -0.33 0.07 0.00 0.41 0.00 0.00 41.25 41.64 2kg2 s ASN 26 CO 0.33 -0.32 -0.03 -0.22 -1.51 0.00 0.00 177.10 175.35 2kg2 s LEU 27 N -3.62 3.94 0.26 0.60 1.98 -1.26 -0.78 118.68 119.79 2kg2 s LEU 27 Ca 0.33 -1.52 0.07 0.00 -2.89 0.00 0.00 54.13 50.13 2kg2 s LEU 27 Cb 0.05 -1.64 -0.05 0.00 0.66 0.00 0.00 46.19 45.21 2kg2 s LEU 27 CO 0.16 -0.27 -0.09 -0.63 -1.89 0.00 0.00 176.35 173.64 2kg2 s ILE 28 N 1.13 1.69 -2.10 6.68 1.01 0.11 -4.18 121.20 125.54 2kg2 s ILE 28 Ca -0.03 -2.16 0.14 0.00 0.00 0.00 0.00 60.65 58.60 2kg2 s ILE 28 Cb -0.20 -2.33 0.35 0.00 0.01 0.00 0.00 42.46 40.29 2kg2 s ILE 28 CO -0.04 -0.38 1.39 0.18 0.00 0.00 0.00 174.94 176.08 2kg2 n LEU 29 N -0.53 1.31 0.00 2.97 4.32 -1.26 -2.45 117.00 121.37 2kg2 n LEU 29 Ca -0.06 -0.61 0.00 0.00 -0.02 0.00 0.00 56.01 55.32 2kg2 n LEU 29 Cb 0.62 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 2kg2 n LEU 29 CO 0.38 0.30 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 2kg2 n GLY 30 N 0.98 2.12 4.01 -0.72 0.00 -1.26 -3.94 105.19 106.38 2kg2 n GLY 30 Ca 0.12 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.46 1.90 0.19 1.61 -0.71 -1.26 -2.79 117.98 116.45 2kg2 s PHE 31 Ca 0.00 -0.48 -0.02 0.00 -1.04 0.00 0.00 56.93 55.39 2kg2 s PHE 31 Cb 0.00 -2.48 -0.04 0.00 -1.21 0.00 0.00 43.02 39.30 2kg2 s PHE 31 CO 0.00 -1.09 0.13 -1.12 -1.34 0.00 0.00 175.22 171.80 2kg2 s SER 32 N -4.59 0.17 0.31 1.98 0.01 0.22 -4.89 113.70 106.91 2kg2 s SER 32 Ca 0.61 -1.32 0.06 0.00 1.31 0.00 0.00 55.95 56.60 2kg2 s SER 32 Cb -0.07 0.37 -0.06 0.00 0.21 0.00 0.00 66.02 66.47 2kg2 s SER 32 CO 0.39 -0.83 -0.01 0.27 0.41 0.00 0.00 173.24 173.46 2kg2 s ILE 33 N -4.13 1.54 -0.11 1.44 -4.36 -1.26 -0.42 121.20 113.91 2kg2 s ILE 33 Ca 0.35 -2.07 0.12 0.00 -0.26 0.00 0.00 60.65 58.78 2kg2 s ILE 33 Cb 0.07 -2.62 -0.16 0.00 1.25 0.00 0.00 42.46 40.99 2kg2 s ILE 33 CO 0.09 -0.17 0.08 0.61 0.24 0.00 0.00 174.94 175.80 2kg2 n GLY 34 N -0.66 -0.63 0.00 6.27 0.00 0.24 -4.59 105.19 105.82 2kg2 n GLY 34 Ca -0.04 -0.23 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 2.14 3.18 0.00 -0.02 0.00 -1.26 -4.93 105.19 104.30 2kg2 n GLY 35 Ca -0.18 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.37 1.23 0.24 -0.02 0.00 -1.25 -3.77 105.19 100.25 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 0.50 0.00 -0.61 -2.65 -1.83 -2.24 117.51 110.69 2kg2 h ILE 37 Ca 0.00 -0.95 0.00 0.00 1.03 0.00 0.00 64.86 64.94 2kg2 h ILE 37 Cb 0.00 1.66 0.00 0.00 -2.05 0.00 0.00 36.82 36.43 2kg2 h ILE 37 CO 0.00 0.18 0.00 -0.78 0.03 0.00 0.00 178.15 177.58 2kg2 h ASP 38 N 0.00 0.00 -3.33 2.16 3.58 -1.92 -3.42 116.42 113.49 2kg2 h ASP 38 Ca -0.00 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.80 2kg2 h ASP 38 Cb 0.65 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.58 2kg2 h ASP 38 CO 0.02 0.00 -0.66 -1.10 -2.88 0.00 0.00 179.24 174.62 2kg2 s GLN 39 N -3.44 2.54 -0.23 0.28 -1.52 -0.84 -5.04 119.66 111.41 2kg2 s GLN 39 Ca 0.02 -0.85 -0.17 0.00 -1.95 0.00 0.00 55.36 52.41 2kg2 s GLN 39 Cb 0.09 -2.53 -0.03 0.00 -0.22 0.00 0.00 33.01 30.31 2kg2 s GLN 39 CO 0.38 0.54 0.47 0.34 -0.25 0.00 0.00 175.29 176.77 2kg2 s ASP 40 N -2.34 6.45 0.60 5.90 -1.08 -1.26 -4.86 116.67 120.08 2kg2 s ASP 40 Ca 0.26 0.54 0.30 0.00 -0.52 0.00 0.00 52.55 53.12 2kg2 s ASP 40 Cb -0.12 -2.26 1.75 0.00 -1.46 0.00 0.00 42.92 40.83 2kg2 s ASP 40 CO 0.18 -0.19 2.15 1.55 0.52 0.00 0.00 175.17 179.39 2kg2 h PRO 41 N 7.70 0.00 0.00 4.34 0.13 -1.89 0.70 132.00 142.99 2kg2 h PRO 41 Ca -0.33 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.74 2kg2 h PRO 41 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2kg2 h PRO 41 CO 0.71 0.00 -0.29 0.77 -0.23 0.00 0.00 178.00 178.96 2kg2 h SER 42 N 0.00 0.00 0.00 1.44 0.02 -1.88 -3.00 113.55 110.13 2kg2 h SER 42 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2kg2 h SER 42 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2kg2 h SER 42 CO -0.00 0.29 -0.01 0.00 -1.14 0.00 0.00 176.83 175.97 2kg2 n GLN 43 N -3.53 2.45 -3.28 3.45 10.64 0.11 -4.94 117.38 122.29 2kg2 n GLN 43 Ca -0.00 -1.67 -0.34 0.00 -1.83 0.00 0.00 57.00 53.16 2kg2 n GLN 43 Cb 0.44 -1.07 -0.06 0.00 -0.86 0.00 0.00 30.24 28.69 2kg2 n GLN 43 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2kg2 s ASN 44 N -1.35 6.80 -0.02 2.61 0.01 -0.43 -4.92 114.94 117.64 2kg2 s ASN 44 Ca 0.07 1.14 -0.24 0.00 -0.71 0.00 0.00 52.86 53.12 2kg2 s ASN 44 Cb 0.06 -2.31 -0.20 0.00 0.41 0.00 0.00 41.25 39.21 2kg2 s ASN 44 CO 0.01 -0.02 1.19 1.55 -1.51 0.00 0.00 177.10 178.32 2kg2 h PRO 45 N 2.98 0.18 -0.24 -0.60 0.13 -1.91 -3.18 132.00 129.36 2kg2 h PRO 45 Ca -0.48 -0.12 -0.07 0.00 -0.87 0.00 0.00 66.00 64.46 2kg2 h PRO 45 Cb 1.18 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2kg2 h PRO 45 CO 0.66 0.74 -0.05 1.19 -0.23 0.00 0.00 178.00 180.31 2kg2 n PHE 46 N -4.63 0.79 -1.35 1.56 3.72 -1.26 -4.30 117.46 112.00 2kg2 n PHE 46 Ca -0.08 -1.20 0.01 0.00 -0.05 0.00 0.00 57.45 56.13 2kg2 n PHE 46 Cb 0.38 -0.35 0.02 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.93 0.53 -0.64 4.37 2.88 -1.25 -4.77 113.62 113.82 2kg2 n SER 47 Ca 0.25 -1.84 0.11 0.00 -1.33 0.00 0.00 58.87 56.06 2kg2 n SER 47 Cb 0.90 -0.15 0.36 0.00 -0.75 0.00 0.00 64.21 64.57 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 -0.25 1.84 0.45 -1.46 0.28 -1.20 -4.07 120.64 116.23 2kg2 n GLU 48 Ca 0.02 -1.26 -0.19 0.00 -0.16 0.00 0.00 57.16 55.57 2kg2 n GLU 48 Cb 0.58 -1.42 -0.09 0.00 1.43 0.00 0.00 31.44 31.94 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 2.61 -0.97 -4.23 -1.84 5.19 -1.86 -3.47 116.42 111.84 2kg2 h ASP 49 Ca 0.00 0.03 -0.37 0.00 -0.62 0.00 0.00 57.03 56.07 2kg2 h ASP 49 Cb 0.57 0.25 -0.10 0.00 0.18 0.00 0.00 39.33 40.23 2kg2 h ASP 49 CO 0.00 -0.67 -0.35 0.29 -3.12 0.00 0.00 179.24 175.39 2kg2 n LYS 50 N -5.57 0.35 -0.25 3.56 4.76 -1.26 -4.99 118.16 114.77 2kg2 n LYS 50 Ca -0.15 -2.65 -0.01 0.00 -2.87 0.00 0.00 58.31 52.63 2kg2 n LYS 50 Cb 0.46 2.21 0.08 0.00 -1.84 0.00 0.00 35.03 35.94 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 -0.51 0.98 -2.99 -0.18 -2.24 -1.26 -4.82 114.28 103.26 2kg2 n THR 51 Ca 0.06 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 2kg2 n THR 51 Cb 0.49 -0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 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 0.04 6.61 0.79 3.42 2.15 -1.26 -4.84 116.67 123.57 2kg2 s ASP 52 Ca 0.13 0.58 -0.05 0.00 0.43 0.00 0.00 52.55 53.65 2kg2 s ASP 52 Cb 0.11 -2.39 0.15 0.00 -0.30 0.00 0.00 42.92 40.49 2kg2 s ASP 52 CO 0.03 -0.59 1.09 -0.54 -0.17 0.00 0.00 175.17 175.00 2kg2 s LYS 53 N 2.88 1.36 0.00 4.34 1.02 -1.26 -4.87 119.74 123.21 2kg2 s LYS 53 Ca 0.30 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.35 2kg2 s LYS 53 Cb -0.14 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 2kg2 s LYS 53 CO 0.13 -1.73 0.00 0.41 -0.92 0.00 0.00 175.35 173.23 2kg2 n GLY 54 N -3.10 4.38 3.72 -3.33 0.00 -1.26 -4.90 105.19 100.70 2kg2 n GLY 54 Ca 0.15 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.07 4.27 0.10 -0.61 -1.09 -1.21 -3.77 121.20 116.83 2kg2 s ILE 55 Ca 0.00 1.73 0.03 0.00 -2.23 0.00 0.00 60.65 60.18 2kg2 s ILE 55 Cb 0.00 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 2kg2 s ILE 55 CO 0.00 0.19 -0.09 -0.72 -1.23 0.00 0.00 174.94 173.09 2kg2 s TYR 56 N 0.63 1.01 0.01 3.97 -0.85 -1.25 0.21 117.35 121.09 2kg2 s TYR 56 Ca 0.53 -0.73 -0.26 0.00 -0.52 0.00 0.00 57.07 56.10 2kg2 s TYR 56 Cb -0.26 -0.56 -0.05 0.00 0.38 0.00 0.00 41.96 41.47 2kg2 s TYR 56 CO 0.30 -0.04 0.79 0.54 -1.52 0.00 0.00 175.55 175.63 2kg2 s VAL 57 N -2.79 4.82 -0.04 -3.49 0.11 -0.21 -0.59 120.40 118.20 2kg2 s VAL 57 Ca 0.07 1.67 0.10 0.00 -2.93 0.00 0.00 61.98 60.89 2kg2 s VAL 57 Cb -0.01 -4.14 -0.15 0.00 -1.53 0.00 0.00 36.38 30.56 2kg2 s VAL 57 CO -0.01 0.30 0.16 0.35 -3.33 0.00 0.00 175.10 172.58 2kg2 n THR 58 N 3.21 0.22 -4.09 5.04 -2.24 0.45 -1.29 114.28 115.58 2kg2 n THR 58 Ca -0.01 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 2kg2 n THR 58 Cb 0.51 -0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.56 0.47 0.05 -0.78 3.52 -1.17 -4.89 118.95 113.59 2kg2 s ARG 59 Ca -0.04 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 2kg2 s ARG 59 Cb 0.05 -0.30 -0.03 0.00 -1.56 0.00 0.00 34.95 33.11 2kg2 s ARG 59 CO 0.42 0.06 -0.08 0.08 -0.81 0.00 0.00 175.30 174.98 2kg2 s VAL 60 N -0.93 0.56 0.07 7.11 1.01 -1.26 -0.61 120.40 126.35 2kg2 s VAL 60 Ca -0.06 -1.17 -0.35 0.00 0.00 0.00 0.00 61.98 60.40 2kg2 s VAL 60 Cb -0.07 -0.72 -0.14 0.00 0.00 0.00 0.00 36.38 35.44 2kg2 s VAL 60 CO 0.00 -0.43 1.58 -1.54 0.00 0.00 0.00 175.10 174.71 2kg2 n SER 61 N 1.31 2.72 0.30 3.32 3.41 -1.12 -4.82 113.62 118.74 2kg2 n SER 61 Ca -0.22 1.07 0.19 0.00 -0.26 0.00 0.00 58.87 59.66 2kg2 n SER 61 Cb 0.55 -1.34 0.91 0.00 -0.26 0.00 0.00 64.21 64.07 2kg2 n SER 61 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2kg2 h GLU 62 N 6.20 0.00 0.00 4.33 4.11 -1.99 -3.32 114.58 123.91 2kg2 h GLU 62 Ca -0.46 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.83 2kg2 h GLU 62 Cb 1.28 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 2kg2 h GLU 62 CO 0.87 0.00 -0.04 0.41 0.07 0.00 0.00 179.01 180.33 2kg2 n GLY 63 N -0.48 0.11 0.00 1.06 0.00 -1.26 -5.07 105.19 99.56 2kg2 n GLY 63 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.53 5.22 0.28 -0.02 0.00 -1.25 -4.99 105.19 103.89 2kg2 n GLY 64 Ca -0.17 -1.86 0.01 0.00 0.00 0.00 0.00 46.02 44.00 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 0.52 0.64 1.61 0.13 -1.83 -0.36 132.00 132.71 2kg2 h PRO 65 Ca 0.00 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 2kg2 h PRO 65 Cb 0.00 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.05 2kg2 h PRO 65 CO 0.00 0.52 -0.31 0.00 -0.23 0.00 0.00 178.00 177.98 2kg2 h ALA 66 N 1.54 -0.86 0.00 -0.56 0.00 -1.88 0.14 119.26 117.64 2kg2 h ALA 66 Ca 0.11 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2kg2 h ALA 66 Cb 0.27 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2kg2 h ALA 66 CO 0.00 -0.98 -0.53 1.05 0.00 0.00 0.00 179.25 178.80 2kg2 h GLU 67 N -0.87 0.00 -0.60 0.00 4.11 -1.61 0.39 114.58 116.00 2kg2 h GLU 67 Ca -0.09 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.37 2kg2 h GLU 67 Cb 0.67 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 2kg2 h GLU 67 CO 0.14 0.53 0.37 0.82 0.07 0.00 0.00 179.01 180.94 2kg2 h ILE 68 N 0.00 1.07 0.11 -1.06 1.08 -0.86 -3.19 117.51 114.66 2kg2 h ILE 68 Ca -0.01 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 2kg2 h ILE 68 Cb 1.09 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 2kg2 h ILE 68 CO 0.07 0.13 -0.05 0.00 -0.69 0.00 0.00 178.15 177.61 2kg2 h ALA 69 N 1.26 -0.14 0.00 1.87 0.00 -0.83 -3.48 119.26 117.94 2kg2 h ALA 69 Ca 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kg2 h ALA 69 Cb 0.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kg2 h ALA 69 CO -0.10 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.39 2kg2 n GLY 70 N 1.13 0.00 3.57 0.00 0.00 -0.26 -4.85 105.19 104.79 2kg2 n GLY 70 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 4.25 -0.04 0.99 2.96 0.12 -4.93 118.68 122.04 2kg2 s LEU 71 Ca 0.00 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2kg2 s LEU 71 Cb 0.00 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 2kg2 s LEU 71 CO 0.00 -0.49 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.35 2kg2 s GLN 72 N 2.51 2.63 0.10 1.98 -1.52 -1.26 -3.99 119.66 120.12 2kg2 s GLN 72 Ca 0.22 -0.64 -0.33 0.00 -1.95 0.00 0.00 55.36 52.66 2kg2 s GLN 72 Cb -0.15 -2.52 -0.13 0.00 -0.22 0.00 0.00 33.01 29.99 2kg2 s GLN 72 CO 0.13 0.64 1.71 -0.89 -0.25 0.00 0.00 175.29 176.63 2kg2 n ILE 73 N 2.00 0.21 0.00 1.08 5.41 -1.26 -1.78 119.36 125.02 2kg2 n ILE 73 Ca -0.17 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.54 2kg2 n ILE 73 Cb 0.53 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 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 3.86 0.66 3.73 7.39 0.00 -0.42 -5.02 105.19 115.39 2kg2 n GLY 74 Ca 0.18 0.00 -0.40 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 -1.89 7.06 -0.14 1.61 1.01 -0.73 -4.79 116.67 118.80 2kg2 s ASP 75 Ca 0.00 1.27 -0.21 0.00 0.71 0.00 0.00 52.55 54.32 2kg2 s ASP 75 Cb 0.00 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 2kg2 s ASP 75 CO 0.00 -0.06 0.61 -0.54 0.21 0.00 0.00 175.17 175.39 2kg2 s LYS 76 N 0.44 4.31 -0.23 8.23 1.02 -1.22 -1.04 119.74 131.26 2kg2 s LYS 76 Ca 0.37 0.65 -0.18 0.00 0.02 0.00 0.00 55.97 56.83 2kg2 s LYS 76 Cb -0.19 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 2kg2 s LYS 76 CO 0.20 -0.05 0.51 0.42 -0.92 0.00 0.00 175.35 175.50 2kg2 s ILE 77 N 1.27 5.10 -0.31 2.17 1.09 0.13 -0.51 121.20 130.13 2kg2 s ILE 77 Ca 0.30 0.90 0.15 0.00 -1.10 0.00 0.00 60.65 60.91 2kg2 s ILE 77 Cb -0.16 -3.83 -0.21 0.00 -1.06 0.00 0.00 42.46 37.20 2kg2 s ILE 77 CO 0.12 0.14 0.47 0.23 -0.10 0.00 0.00 174.94 175.80 2kg2 n MET 78 N 5.12 1.13 -3.70 2.79 2.81 0.77 -3.27 117.12 122.77 2kg2 n MET 78 Ca -0.05 -0.08 -0.12 0.00 -1.81 0.00 0.00 57.70 55.64 2kg2 n MET 78 Cb 0.50 -1.30 -0.09 0.00 -0.71 0.00 0.00 33.22 31.61 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 -2.80 0.53 -0.07 0.03 -0.44 -1.04 -0.54 119.66 115.34 2kg2 s GLN 79 Ca -0.01 0.75 -0.03 0.00 -2.50 0.00 0.00 55.36 53.58 2kg2 s GLN 79 Cb 0.11 0.19 0.04 0.00 -1.64 0.00 0.00 33.01 31.70 2kg2 s GLN 79 CO 0.63 -0.10 0.09 0.08 0.50 0.00 0.00 175.29 176.49 2kg2 s VAL 80 N 0.68 -0.14 -0.90 1.34 1.01 0.21 -0.05 120.40 122.54 2kg2 s VAL 80 Ca -0.03 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2kg2 s VAL 80 Cb -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.08 2kg2 s VAL 80 CO -0.05 0.10 0.00 -3.20 0.00 0.00 0.00 175.10 171.96 2kg2 n ASN 81 N 5.30 -5.51 0.00 3.32 4.05 0.89 -0.71 115.26 122.60 2kg2 n ASN 81 Ca -0.04 0.21 0.00 0.00 0.45 0.00 0.00 54.58 55.20 2kg2 n ASN 81 Cb 0.50 -3.76 0.00 0.00 1.23 0.00 0.00 39.78 37.75 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 0.04 1.96 3.87 8.20 0.00 -1.26 -4.82 105.19 113.19 2kg2 n GLY 82 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.16 3.42 -0.37 1.61 -0.11 0.12 -5.04 118.94 116.41 2kg2 s TRP 83 Ca 0.00 0.89 -0.16 0.00 1.22 0.00 0.00 56.10 58.05 2kg2 s TRP 83 Cb 0.00 -2.27 -0.00 0.00 -1.50 0.00 0.00 33.47 29.70 2kg2 s TRP 83 CO 0.00 0.27 0.38 -0.51 -4.62 0.00 0.00 176.95 172.47 2kg2 s ASP 84 N -2.34 6.18 -0.08 5.86 1.11 -1.26 0.65 116.67 126.79 2kg2 s ASP 84 Ca 0.47 -0.38 -0.04 0.00 0.18 0.00 0.00 52.55 52.78 2kg2 s ASP 84 Cb -0.11 -2.20 -0.02 0.00 1.07 0.00 0.00 42.92 41.65 2kg2 s ASP 84 CO 0.21 -0.41 0.17 -0.03 1.18 0.00 0.00 175.17 176.28 2kg2 h MET 85 N 8.55 -0.14 0.00 8.23 1.85 -1.10 -3.45 114.93 128.87 2kg2 h MET 85 Ca -0.29 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.81 2kg2 h MET 85 Cb 1.13 0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.19 2kg2 h MET 85 CO 0.73 -0.09 0.00 -2.37 -0.40 0.00 0.00 176.91 174.77 2kg2 n THR 86 N -4.79 0.00 -3.78 -0.77 5.66 -0.39 -3.17 114.28 107.04 2kg2 n THR 86 Ca -0.02 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.63 2kg2 n THR 86 Cb 0.06 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.73 2kg2 n THR 86 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2kg2 s MET 87 N 0.00 2.28 0.02 1.09 -2.45 -1.26 -3.31 119.30 115.67 2kg2 s MET 87 Ca 0.00 -2.31 -0.13 0.00 -1.25 0.00 0.00 55.69 52.01 2kg2 s MET 87 Cb 0.00 -3.61 0.02 0.00 1.25 0.00 0.00 34.83 32.48 2kg2 s MET 87 CO 0.00 -1.13 0.27 0.54 1.05 0.00 0.00 175.02 175.75 2kg2 s VAL 88 N 0.30 0.08 0.60 10.11 0.11 -1.19 -5.03 120.40 125.39 2kg2 s VAL 88 Ca 0.14 -0.68 -0.17 0.00 -2.93 0.00 0.00 61.98 58.34 2kg2 s VAL 88 Cb -0.22 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 2kg2 s VAL 88 CO -0.03 -0.37 1.11 0.42 -3.33 0.00 0.00 175.10 172.89 2kg2 s THR 89 N -2.16 3.28 0.23 5.04 -4.23 -1.26 -3.55 115.64 112.99 2kg2 s THR 89 Ca -0.08 0.67 -0.08 0.00 -1.18 0.00 0.00 61.69 61.03 2kg2 s THR 89 Cb -0.02 -3.21 0.20 0.00 1.34 0.00 0.00 72.50 70.80 2kg2 s THR 89 CO -0.01 -0.29 1.70 -0.74 -0.54 0.00 0.00 174.62 174.74 2kg2 h HIS 90 N 0.56 0.25 -0.20 3.99 2.76 -1.92 0.52 115.15 121.11 2kg2 h HIS 90 Ca -0.48 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 57.75 2kg2 h HIS 90 Cb 1.25 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 30.18 2kg2 h HIS 90 CO 0.54 -0.05 0.04 0.22 -1.30 0.00 0.00 177.93 177.39 2kg2 h ASP 91 N 0.28 0.02 0.08 3.26 3.58 -1.99 0.11 116.42 121.76 2kg2 h ASP 91 Ca 0.36 0.03 -0.17 0.00 0.42 0.00 0.00 57.03 57.68 2kg2 h ASP 91 Cb 0.57 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2kg2 h ASP 91 CO -0.45 0.04 -0.59 1.56 -2.88 0.00 0.00 179.24 176.93 2kg2 h GLN 92 N 0.13 0.52 -0.56 0.28 7.50 -1.78 -3.07 115.11 118.12 2kg2 h GLN 92 Ca 0.09 -0.34 -0.09 0.00 0.50 0.00 0.00 58.65 58.81 2kg2 h GLN 92 Cb 0.08 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.64 2kg2 h GLN 92 CO -0.12 0.96 0.01 0.00 -1.50 0.00 0.00 178.83 178.18 2kg2 h ALA 93 N 0.97 0.76 -0.94 3.87 0.00 -0.49 -2.93 119.26 120.49 2kg2 h ALA 93 Ca -0.00 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.72 2kg2 h ALA 93 Cb 1.14 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2kg2 h ALA 93 CO 0.11 0.57 0.60 0.00 0.00 0.00 0.00 179.25 180.54 2kg2 h ARG 94 N 0.87 0.90 -1.06 0.00 2.47 -0.69 -0.72 114.38 116.14 2kg2 h ARG 94 Ca 0.16 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.74 2kg2 h ARG 94 Cb 0.53 -0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.59 2kg2 h ARG 94 CO 0.03 0.59 0.11 1.63 0.56 0.00 0.00 179.97 182.89 2kg2 n LYS 95 N -4.56 1.21 0.00 0.04 5.02 -1.11 -1.28 118.16 117.49 2kg2 n LYS 95 Ca 0.17 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 2kg2 n LYS 95 Cb 0.34 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.29 0.00 -0.01 1.97 3.00 -0.52 -4.74 116.66 116.65 2kg2 n ARG 96 Ca 0.10 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.04 2kg2 n ARG 96 Cb 0.68 -0.18 -0.14 0.00 0.00 0.00 0.00 32.46 32.83 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 -1.87 0.34 -0.01 6.15 -0.00 -0.39 -4.34 117.00 116.89 2kg2 n LEU 97 Ca 0.00 -0.19 0.01 0.00 -0.00 0.00 0.00 56.01 55.82 2kg2 n LEU 97 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2kg2 n LEU 97 CO 0.00 0.09 0.48 1.07 -0.00 0.00 0.00 177.39 179.03 2kg2 n THR 98 N -1.90 0.97 -1.06 1.47 5.66 -0.40 -4.31 114.28 114.71 2kg2 n THR 98 Ca -0.01 -1.00 -0.29 0.00 -3.05 0.00 0.00 64.05 59.71 2kg2 n THR 98 Cb 0.43 0.49 0.20 0.00 -1.55 0.00 0.00 70.33 69.90 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 -1.03 -0.17 -0.03 1.09 -2.85 -1.05 -4.83 119.74 110.86 2kg2 s LYS 99 Ca 0.02 0.42 0.05 0.00 -1.00 0.00 0.00 55.97 55.46 2kg2 s LYS 99 Cb 0.02 -1.68 0.07 0.00 -2.06 0.00 0.00 37.83 34.18 2kg2 s LYS 99 CO 0.00 -3.12 0.97 2.89 0.10 0.00 0.00 175.35 176.19 2kg2 n ARG 100 N -4.43 1.99 0.05 1.78 1.85 -1.26 -4.69 116.66 111.95 2kg2 n ARG 100 Ca 0.06 -1.59 -0.21 0.00 -1.00 0.00 0.00 57.85 55.12 2kg2 n ARG 100 Cb 0.57 -1.02 -0.12 0.00 -1.05 0.00 0.00 32.46 30.85 2kg2 n ARG 100 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2kg2 h SER 101 N 0.00 0.81 -1.73 2.89 0.87 -1.94 -3.46 113.55 110.98 2kg2 h SER 101 Ca 0.00 -0.79 -0.52 0.00 -1.23 0.00 0.00 61.79 59.25 2kg2 h SER 101 Cb 0.74 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 62.40 2kg2 h SER 101 CO 0.00 1.50 -0.47 -1.61 -0.53 0.00 0.00 176.83 175.72 2kg2 s GLU 102 N -3.12 2.48 0.06 2.24 8.01 -1.26 -5.08 118.70 122.03 2kg2 s GLU 102 Ca -0.11 -1.52 0.00 0.00 0.01 0.00 0.00 54.97 53.35 2kg2 s GLU 102 Cb 0.05 -2.28 0.00 0.00 -4.31 0.00 0.00 34.13 27.59 2kg2 s GLU 102 CO 0.90 -0.01 0.00 -0.85 0.01 0.00 0.00 175.26 175.31 2kg2 n GLU 103 N -1.33 0.00 -3.23 1.61 0.28 -1.26 -4.96 120.64 111.75 2kg2 n GLU 103 Ca -0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.60 2kg2 n GLU 103 Cb 0.61 -0.28 -0.07 0.00 1.43 0.00 0.00 31.44 33.14 2kg2 n GLU 103 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2kg2 s VAL 104 N -1.57 5.09 -0.04 3.84 1.01 -1.25 -3.07 120.40 124.41 2kg2 s VAL 104 Ca 0.00 0.97 0.05 0.00 0.00 0.00 0.00 61.98 63.00 2kg2 s VAL 104 Cb 0.00 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2kg2 s VAL 104 CO 0.00 0.16 -0.18 0.68 0.00 0.00 0.00 175.10 175.76 2kg2 s VAL 105 N 1.73 1.51 -0.42 2.92 -7.23 -0.19 -4.96 120.40 113.75 2kg2 s VAL 105 Ca 0.24 -0.78 -0.18 0.00 -1.81 0.00 0.00 61.98 59.46 2kg2 s VAL 105 Cb -0.15 -1.28 0.02 0.00 0.56 0.00 0.00 36.38 35.53 2kg2 s VAL 105 CO 0.10 0.43 0.47 -0.13 -0.31 0.00 0.00 175.10 175.66 2kg2 s ARG 106 N -0.13 3.15 0.20 4.82 1.81 -1.26 -1.78 118.95 125.75 2kg2 s ARG 106 Ca -0.00 -0.68 0.07 0.00 -1.72 0.00 0.00 55.73 53.40 2kg2 s ARG 106 Cb -0.10 -3.96 -0.04 0.00 -0.45 0.00 0.00 34.95 30.40 2kg2 s ARG 106 CO 0.01 -0.87 0.06 -0.51 -0.68 0.00 0.00 175.30 173.32 2kg2 s LEU 107 N 2.25 3.48 -0.09 2.53 1.43 0.24 -0.08 118.68 128.44 2kg2 s LEU 107 Ca 0.14 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2kg2 s LEU 107 Cb -0.17 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 43.99 2kg2 s LEU 107 CO 0.14 0.05 -0.08 -0.76 0.23 0.00 0.00 176.35 175.94 2kg2 s LEU 108 N -3.21 1.27 0.23 1.79 1.02 0.93 0.59 118.68 121.30 2kg2 s LEU 108 Ca 0.30 -0.28 0.11 0.00 0.02 0.00 0.00 54.13 54.28 2kg2 s LEU 108 Cb -0.09 -0.79 -0.05 0.00 0.02 0.00 0.00 46.19 45.29 2kg2 s LEU 108 CO 0.21 -0.08 -0.15 0.68 0.02 0.00 0.00 176.35 177.03 2kg2 s VAL 109 N 1.42 2.80 -0.22 -1.59 -7.23 0.10 -0.16 120.40 115.52 2kg2 s VAL 109 Ca -0.01 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.10 2kg2 s VAL 109 Cb -0.13 -2.42 0.01 0.00 0.56 0.00 0.00 36.38 34.39 2kg2 s VAL 109 CO -0.05 -0.26 -0.09 0.42 -0.31 0.00 0.00 175.10 174.81 2kg2 s THR 110 N -2.07 2.84 -0.33 5.32 -4.23 0.33 -0.45 115.64 117.04 2kg2 s THR 110 Ca 0.27 -0.78 -0.29 0.00 -1.18 0.00 0.00 61.69 59.71 2kg2 s THR 110 Cb -0.07 -2.31 -0.00 0.00 1.34 0.00 0.00 72.50 71.46 2kg2 s THR 110 CO 0.15 0.39 1.46 -0.13 -0.54 0.00 0.00 174.62 175.95 2kg2 s ARG 111 N 1.38 3.70 -0.13 3.99 1.81 0.83 -3.39 118.95 127.13 2kg2 s ARG 111 Ca 0.04 1.22 -0.20 0.00 -1.72 0.00 0.00 55.73 55.07 2kg2 s ARG 111 Cb -0.15 -4.00 -0.25 0.00 -0.45 0.00 0.00 34.95 30.10 2kg2 s ARG 111 CO -0.07 -1.41 0.54 1.96 -0.68 0.00 0.00 175.30 175.65 2kg2 h GLN 112 N 10.49 0.14 -6.43 3.54 1.08 -1.87 -2.18 115.11 119.87 2kg2 h GLN 112 Ca -0.29 -0.23 -0.50 0.00 -1.45 0.00 0.00 58.65 56.18 2kg2 h GLN 112 Cb 1.12 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 28.55 2kg2 h GLN 112 CO 1.05 1.11 -0.79 0.43 -0.95 0.00 0.00 178.83 179.68 2kg2 n SER 113 N -4.21 -3.95 -2.08 1.46 7.64 -1.26 -3.01 113.62 108.21 2kg2 n SER 113 Ca -0.23 -0.86 -0.02 0.00 1.01 0.00 0.00 58.87 58.77 2kg2 n SER 113 Cb 0.75 -3.52 0.00 0.00 -1.01 0.00 0.00 64.21 60.43 2kg2 n SER 113 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kg2 n LEU 114 N -4.56 -4.71 -4.77 -3.43 7.94 -1.26 -5.02 117.00 101.19 2kg2 n LEU 114 Ca 0.02 0.44 -0.33 0.00 -1.11 0.00 0.00 56.01 55.03 2kg2 n LEU 114 Cb 0.53 -2.08 0.05 0.00 0.53 0.00 0.00 43.42 42.45 2kg2 n LEU 114 CO 0.78 -1.26 0.74 0.00 -1.11 0.00 0.00 177.39 176.54 2kg2 s GLN 115 N -1.24 2.75 0.07 1.96 -2.07 -1.16 -5.06 119.66 114.91 2kg2 s GLN 115 Ca 0.06 1.41 0.08 0.00 -1.82 0.00 0.00 55.36 55.08 2kg2 s GLN 115 Cb -0.02 -1.94 -0.04 0.00 -1.09 0.00 0.00 33.01 29.93 2kg2 s GLN 115 CO 0.35 -1.29 -0.19 -1.59 -1.32 0.00 0.00 175.29 171.25 2kg2 s LYS 116 N -4.10 1.92 0.00 9.60 -2.85 -1.26 -4.79 119.74 118.25 2kg2 s LYS 116 Ca 0.67 -1.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 2kg2 s LYS 116 Cb -0.21 -2.14 0.00 0.00 -2.06 0.00 0.00 37.83 33.42 2kg2 s LYS 116 CO 0.42 0.51 0.00 0.00 0.10 0.00 0.00 175.35 176.38 2kg2 n ALA 117 N 1.25 0.00 -2.10 0.59 0.00 -1.26 -5.00 120.51 113.99 2kg2 n ALA 117 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 2kg2 n ALA 117 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2kg2 n ALA 117 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kg2 n VAL 118 N -0.22 4.08 0.00 0.00 0.24 -1.26 -4.66 118.33 116.50 2kg2 n VAL 118 Ca 0.00 -3.89 0.00 0.00 -2.04 0.00 0.00 64.34 58.41 2kg2 n VAL 118 Cb 0.00 -2.44 0.00 0.00 -1.47 0.00 0.00 33.84 29.93 2kg2 n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kg2 n GLN 119 N 4.52 0.00 -3.14 7.34 1.13 -1.26 -4.49 117.38 121.48 2kg2 n GLN 119 Ca 0.45 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.55 2kg2 n GLN 119 Cb 0.36 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.71 2kg2 n GLN 119 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2kg2 s GLN 120 N 0.00 0.51 0.14 -1.09 2.00 -1.26 -5.10 119.66 114.86 2kg2 s GLN 120 Ca 0.00 0.27 0.00 0.00 -2.00 0.00 0.00 55.36 53.63 2kg2 s GLN 120 Cb 0.00 0.17 0.00 0.00 0.80 0.00 0.00 33.01 33.98 2kg2 s GLN 120 CO 0.00 -0.89 0.00 0.43 -0.50 0.00 0.00 175.29 174.33 2kg2 n SER 121 N 5.05 -7.41 -0.37 6.67 7.64 -1.26 -4.89 113.62 119.05 2kg2 n SER 121 Ca 0.07 1.11 0.14 0.00 1.01 0.00 0.00 58.87 61.20 2kg2 n SER 121 Cb 0.56 -4.14 0.46 0.00 -1.01 0.00 0.00 64.21 60.09 2kg2 n SER 121 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2kg2 n MET 122 N 1.45 1.29 -2.01 1.43 0.00 -1.26 -4.91 117.12 113.11 2kg2 n MET 122 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 57.70 56.53 2kg2 n MET 122 Cb 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 31.71 2kg2 n MET 122 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 2kg2 s LEU 123 N -2.23 4.36 0.00 3.17 0.05 -1.26 -5.18 118.68 117.60 2kg2 s LEU 123 Ca 0.32 2.46 0.00 0.00 0.05 0.00 0.00 54.13 56.95 2kg2 s LEU 123 Cb 0.20 -3.58 0.00 0.00 -2.05 0.00 0.00 46.19 40.76 2kg2 s LEU 123 CO 0.42 -0.80 0.00 -1.54 -0.55 0.00 0.00 176.35 173.88