#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg2 h SER 2 N 0.00 -0.12 -4.24 1.61 4.64 -2.09 -3.46 113.55 109.89 2kg2 h SER 2 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 2kg2 h SER 2 Cb 0.00 0.03 0.06 0.00 -0.31 0.00 0.00 62.40 62.18 2kg2 h SER 2 CO 0.00 0.33 0.37 -0.72 -0.87 0.00 0.00 176.83 175.94 2kg2 s TYR 3 N -2.01 3.57 -0.42 4.77 1.13 -1.26 -5.04 117.35 118.09 2kg2 s TYR 3 Ca -0.02 1.17 -0.13 0.00 -1.41 0.00 0.00 57.07 56.67 2kg2 s TYR 3 Cb 0.00 -2.71 0.05 0.00 -1.10 0.00 0.00 41.96 38.20 2kg2 s TYR 3 CO 0.06 -0.71 0.30 0.42 -2.51 0.00 0.00 175.55 173.12 2kg2 s ILE 4 N -3.14 4.93 1.03 -3.49 1.01 -1.26 -5.07 121.20 115.20 2kg2 s ILE 4 Ca 0.54 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 2kg2 s ILE 4 Cb -0.11 -3.85 0.22 0.00 0.01 0.00 0.00 42.46 38.73 2kg2 s ILE 4 CO 0.52 -0.41 1.23 -2.16 0.00 0.00 0.00 174.94 174.12 2kg2 s PRO 5 N 1.60 0.12 -0.23 2.79 0.04 -1.26 -4.92 135.00 133.13 2kg2 s PRO 5 Ca 0.04 -0.20 -0.02 0.00 0.04 0.00 0.00 61.00 60.85 2kg2 s PRO 5 Cb -0.21 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.63 2kg2 s PRO 5 CO 0.07 -2.80 2.41 0.41 0.04 0.00 0.00 177.00 177.13 2kg2 n GLY 6 N -2.64 3.64 3.72 0.56 0.00 -1.26 -4.91 105.19 104.30 2kg2 n GLY 6 Ca 0.13 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.98 4.45 0.00 1.61 0.74 -1.26 -4.86 119.66 119.35 2kg2 s GLN 7 Ca 0.35 1.76 -0.04 0.00 0.05 0.00 0.00 55.36 57.48 2kg2 s GLN 7 Cb 0.23 -3.34 -0.02 0.00 1.10 0.00 0.00 33.01 30.98 2kg2 s GLN 7 CO -0.05 -0.23 0.87 -1.00 -0.55 0.00 0.00 175.29 174.34 2kg2 h PRO 8 N 6.65 -0.13 0.00 1.67 0.13 -1.91 -3.49 132.00 134.91 2kg2 h PRO 8 Ca -0.42 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kg2 h PRO 8 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kg2 h PRO 8 CO 0.80 -0.09 0.00 1.33 -0.23 0.00 0.00 178.00 179.81 2kg2 n VAL 9 N -2.44 0.00 0.16 1.56 0.24 -1.26 -4.96 118.33 111.62 2kg2 n VAL 9 Ca -0.02 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.33 2kg2 n VAL 9 Cb 0.06 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.48 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 0.67 -2.05 3.34 1.03 -2.00 -3.45 112.91 110.45 2kg2 h THR 10 Ca 0.00 -1.94 -0.60 0.00 -0.01 0.00 0.00 66.41 63.85 2kg2 h THR 10 Cb 0.00 2.33 -0.14 0.00 -1.07 0.00 0.00 68.15 69.27 2kg2 h THR 10 CO 0.00 0.38 -0.68 0.00 -0.01 0.00 0.00 175.52 175.21 2kg2 s ALA 11 N -3.02 2.86 0.22 0.00 0.00 -1.26 -5.08 121.76 115.48 2kg2 s ALA 11 Ca 0.05 -2.06 0.06 0.00 0.00 0.00 0.00 51.96 50.01 2kg2 s ALA 11 Cb 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2kg2 s ALA 11 CO 0.73 0.07 0.22 0.54 0.00 0.00 0.00 175.76 177.32 2kg2 s VAL 12 N -2.66 4.70 0.06 0.00 0.11 -1.26 -4.35 120.40 117.00 2kg2 s VAL 12 Ca 0.32 -1.19 0.05 0.00 -2.93 0.00 0.00 61.98 58.24 2kg2 s VAL 12 Cb 0.02 -3.50 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 2kg2 s VAL 12 CO 0.16 -0.27 -0.09 0.54 -3.33 0.00 0.00 175.10 172.11 2kg2 s VAL 13 N -1.98 3.45 0.02 2.04 0.11 -1.26 0.12 120.40 122.89 2kg2 s VAL 13 Ca 0.33 -1.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.30 2kg2 s VAL 13 Cb -0.09 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.19 2kg2 s VAL 13 CO 0.26 0.25 0.03 0.00 -3.33 0.00 0.00 175.10 172.30 2kg2 s GLN 14 N -1.83 0.43 0.15 1.54 1.03 0.62 -4.95 119.66 116.66 2kg2 s GLN 14 Ca 0.19 -0.67 -0.06 0.00 0.04 0.00 0.00 55.36 54.86 2kg2 s GLN 14 Cb -0.11 0.16 -0.06 0.00 0.03 0.00 0.00 33.01 33.03 2kg2 s GLN 14 CO 0.11 -0.09 0.41 -0.98 -2.54 0.00 0.00 175.29 172.20 2kg2 s ARG 15 N -1.95 3.67 0.08 9.60 1.04 -1.26 -0.92 118.95 129.21 2kg2 s ARG 15 Ca -0.11 0.02 0.01 0.00 -1.04 0.00 0.00 55.73 54.61 2kg2 s ARG 15 Cb -0.06 -2.83 -0.04 0.00 -2.04 0.00 0.00 34.95 29.98 2kg2 s ARG 15 CO -0.02 0.45 -0.06 0.54 -0.04 0.00 0.00 175.30 176.17 2kg2 s VAL 16 N -1.65 0.59 -0.23 4.99 0.11 0.16 -4.95 120.40 119.41 2kg2 s VAL 16 Ca 0.41 -1.84 -0.03 0.00 -2.93 0.00 0.00 61.98 57.59 2kg2 s VAL 16 Cb -0.12 -1.56 0.10 0.00 -1.53 0.00 0.00 36.38 33.27 2kg2 s VAL 16 CO 0.23 -0.86 0.21 -0.70 -3.33 0.00 0.00 175.10 170.66 2kg2 s GLU 17 N -3.66 0.21 -0.16 1.54 2.12 -1.26 -0.79 118.70 116.71 2kg2 s GLU 17 Ca 0.09 0.01 -0.16 0.00 0.36 0.00 0.00 54.97 55.26 2kg2 s GLU 17 Cb 0.05 -1.13 -0.04 0.00 0.26 0.00 0.00 34.13 33.26 2kg2 s GLU 17 CO -0.05 -0.79 0.40 0.42 -0.54 0.00 0.00 175.26 174.69 2kg2 s ILE 18 N 2.29 5.23 0.16 -3.70 1.09 -1.16 -4.59 121.20 120.51 2kg2 s ILE 18 Ca 0.07 0.75 -0.02 0.00 -1.10 0.00 0.00 60.65 60.35 2kg2 s ILE 18 Cb -0.15 -3.73 -0.05 0.00 -1.06 0.00 0.00 42.46 37.47 2kg2 s ILE 18 CO -0.20 0.32 0.36 -1.00 -0.10 0.00 0.00 174.94 174.33 2kg2 s HIS 19 N 0.79 3.48 -0.04 3.97 3.76 -1.26 -2.46 115.29 123.53 2kg2 s HIS 19 Ca 0.21 0.42 -0.40 0.00 -0.15 0.00 0.00 55.06 55.15 2kg2 s HIS 19 Cb -0.14 -1.91 -0.19 0.00 1.11 0.00 0.00 32.58 31.45 2kg2 s HIS 19 CO 0.07 0.43 1.26 0.36 -0.85 0.00 0.00 174.74 176.01 2kg2 n LYS 20 N -0.22 0.47 -4.44 1.40 2.85 -0.69 -4.72 118.16 112.81 2kg2 n LYS 20 Ca -0.04 0.17 -0.31 0.00 -1.05 0.00 0.00 58.31 57.09 2kg2 n LYS 20 Cb 0.52 -1.73 -0.16 0.00 -0.65 0.00 0.00 35.03 33.01 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 0.69 1.91 -0.32 -5.58 2.96 -0.90 -5.00 118.68 112.44 2kg2 s LEU 21 Ca 0.91 -0.53 -0.22 0.00 -0.22 0.00 0.00 54.13 54.07 2kg2 s LEU 21 Cb -1.17 -1.29 -0.00 0.00 0.50 0.00 0.00 46.19 44.23 2kg2 s LEU 21 CO 0.56 0.03 0.72 -0.13 -1.32 0.00 0.00 176.35 176.21 2kg2 s ARG 22 N 1.03 3.86 -0.37 1.98 3.00 -1.26 -0.36 118.95 126.82 2kg2 s ARG 22 Ca -0.04 0.37 -0.03 0.00 0.00 0.00 0.00 55.73 56.04 2kg2 s ARG 22 Cb -0.15 -3.75 0.09 0.00 0.00 0.00 0.00 34.95 31.14 2kg2 s ARG 22 CO -0.04 -0.68 0.14 -0.65 0.00 0.00 0.00 175.30 174.07 2kg2 s GLN 23 N 2.84 2.15 4.49 3.54 -1.52 0.18 -4.94 119.66 126.41 2kg2 s GLN 23 Ca 0.29 -1.63 0.00 0.00 -1.95 0.00 0.00 55.36 52.07 2kg2 s GLN 23 Cb -0.14 -3.47 0.00 0.00 -0.22 0.00 0.00 33.01 29.18 2kg2 s GLN 23 CO 0.13 -0.92 0.00 0.41 -0.25 0.00 0.00 175.29 174.66 2kg2 n GLY 24 N 4.61 1.21 0.00 3.09 0.00 -1.26 -1.01 105.19 111.84 2kg2 n GLY 24 Ca -0.06 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 1.41 -3.92 1.61 1.02 -1.26 -5.03 120.64 114.48 2kg2 n GLU 25 Ca 0.00 -1.08 -0.21 0.00 -0.02 0.00 0.00 57.16 55.84 2kg2 n GLU 25 Cb 0.00 -0.98 -0.04 0.00 -0.02 0.00 0.00 31.44 30.40 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 -0.59 5.40 -0.29 1.62 0.01 -0.18 -5.07 114.94 115.85 2kg2 s ASN 26 Ca 0.00 -0.39 0.01 0.00 -0.71 0.00 0.00 52.86 51.77 2kg2 s ASN 26 Cb 0.00 -1.15 0.06 0.00 0.41 0.00 0.00 41.25 40.57 2kg2 s ASN 26 CO 0.00 -0.23 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.09 2kg2 s LEU 27 N -3.94 3.76 0.25 0.60 1.98 -1.26 -0.64 118.68 119.43 2kg2 s LEU 27 Ca 0.38 -1.43 0.07 0.00 -2.89 0.00 0.00 54.13 50.25 2kg2 s LEU 27 Cb -0.07 -1.62 -0.05 0.00 0.66 0.00 0.00 46.19 45.11 2kg2 s LEU 27 CO 0.26 -0.24 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.77 2kg2 s ILE 28 N 1.14 1.61 -2.00 6.68 1.01 0.51 -4.19 121.20 125.96 2kg2 s ILE 28 Ca -0.06 -2.14 0.15 0.00 0.00 0.00 0.00 60.65 58.60 2kg2 s ILE 28 Cb -0.20 -2.33 0.42 0.00 0.01 0.00 0.00 42.46 40.36 2kg2 s ILE 28 CO -0.04 -0.38 1.35 0.18 0.00 0.00 0.00 174.94 176.05 2kg2 n LEU 29 N -0.51 2.52 0.00 2.97 4.32 -1.26 -2.12 117.00 122.92 2kg2 n LEU 29 Ca -0.06 -1.26 0.00 0.00 -0.02 0.00 0.00 56.01 54.67 2kg2 n LEU 29 Cb 0.63 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 2kg2 n LEU 29 CO 0.38 0.63 0.00 0.61 -1.22 0.00 0.00 177.39 177.79 2kg2 n GLY 30 N 1.25 1.91 4.01 -0.72 0.00 -1.26 -4.00 105.19 106.38 2kg2 n GLY 30 Ca 0.16 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.34 2.40 0.25 1.61 -0.71 -1.26 -2.13 117.98 117.79 2kg2 s PHE 31 Ca 0.00 -0.44 0.01 0.00 -1.04 0.00 0.00 56.93 55.46 2kg2 s PHE 31 Cb 0.00 -2.40 -0.05 0.00 -1.21 0.00 0.00 43.02 39.37 2kg2 s PHE 31 CO 0.00 -0.71 0.11 -1.12 -1.34 0.00 0.00 175.22 172.16 2kg2 s SER 32 N -4.46 0.91 0.29 1.98 0.01 0.67 -4.89 113.70 108.21 2kg2 s SER 32 Ca 0.57 -1.40 0.05 0.00 1.31 0.00 0.00 55.95 56.48 2kg2 s SER 32 Cb -0.09 0.25 -0.06 0.00 0.21 0.00 0.00 66.02 66.33 2kg2 s SER 32 CO 0.36 -0.78 0.00 0.27 0.41 0.00 0.00 173.24 173.50 2kg2 s ILE 33 N -3.86 1.31 -0.09 1.44 -4.36 -1.26 -0.72 121.20 113.66 2kg2 s ILE 33 Ca 0.38 -2.05 0.10 0.00 -0.26 0.00 0.00 60.65 58.82 2kg2 s ILE 33 Cb 0.07 -2.58 -0.14 0.00 1.25 0.00 0.00 42.46 41.06 2kg2 s ILE 33 CO 0.14 -0.18 0.09 0.61 0.24 0.00 0.00 174.94 175.84 2kg2 n GLY 34 N -0.59 -0.53 0.00 6.27 0.00 0.09 -4.57 105.19 105.86 2kg2 n GLY 34 Ca -0.04 -0.20 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 2.22 3.03 0.00 -0.02 0.00 -1.26 -4.94 105.19 104.23 2kg2 n GLY 35 Ca -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.16 1.28 0.20 -0.02 0.00 -1.24 -3.74 105.19 100.51 2kg2 n GLY 36 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.86 0.00 -0.61 -2.65 -1.84 -1.64 117.51 111.63 2kg2 h ILE 37 Ca 0.00 -1.35 0.00 0.00 1.03 0.00 0.00 64.86 64.54 2kg2 h ILE 37 Cb 0.00 1.82 0.00 0.00 -2.05 0.00 0.00 36.82 36.59 2kg2 h ILE 37 CO 0.00 0.33 0.00 -0.78 0.03 0.00 0.00 178.15 177.73 2kg2 h ASP 38 N 0.00 0.00 -5.61 2.16 3.58 -1.93 -3.43 116.42 111.19 2kg2 h ASP 38 Ca -0.00 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 2kg2 h ASP 38 Cb 0.79 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.89 2kg2 h ASP 38 CO 0.04 0.00 0.02 0.00 -2.88 0.00 0.00 179.24 176.42 2kg2 n GLN 39 N -3.06 0.37 -3.86 0.28 1.13 -0.62 -5.04 117.38 106.58 2kg2 n GLN 39 Ca -0.01 -2.35 -0.25 0.00 -1.94 0.00 0.00 57.00 52.46 2kg2 n GLN 39 Cb 0.21 -0.36 -0.17 0.00 0.11 0.00 0.00 30.24 30.04 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 -4.06 1.86 0.62 1.08 2.15 -1.26 -4.96 116.67 112.10 2kg2 s ASP 40 Ca 0.51 -0.20 0.31 0.00 0.43 0.00 0.00 52.55 53.60 2kg2 s ASP 40 Cb -0.03 -0.65 1.70 0.00 -0.30 0.00 0.00 42.92 43.64 2kg2 s ASP 40 CO 0.33 -0.15 2.03 1.55 -0.17 0.00 0.00 175.17 178.76 2kg2 h PRO 41 N 8.19 0.00 0.00 4.34 0.13 -1.88 0.56 132.00 143.35 2kg2 h PRO 41 Ca -0.25 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.78 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 0.34 0.00 -0.44 0.77 -0.23 0.00 0.00 178.00 178.44 2kg2 h SER 42 N 0.00 0.00 -0.11 1.44 0.02 -1.95 -3.11 113.55 109.84 2kg2 h SER 42 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2kg2 h SER 42 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2kg2 h SER 42 CO -0.00 0.44 0.00 0.00 -1.14 0.00 0.00 176.83 176.13 2kg2 n GLN 43 N -3.85 2.12 -3.84 3.45 10.64 0.13 -4.97 117.38 121.05 2kg2 n GLN 43 Ca -0.01 -1.50 -0.33 0.00 -1.83 0.00 0.00 57.00 53.33 2kg2 n GLN 43 Cb 0.49 -1.11 -0.05 0.00 -0.86 0.00 0.00 30.24 28.71 2kg2 n GLN 43 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2kg2 s ASN 44 N -0.85 6.42 0.04 2.61 0.02 -0.84 -4.97 114.94 117.37 2kg2 s ASN 44 Ca 0.09 0.42 -0.19 0.00 -1.02 0.00 0.00 52.86 52.16 2kg2 s ASN 44 Cb 0.05 -2.03 -0.17 0.00 0.02 0.00 0.00 41.25 39.12 2kg2 s ASN 44 CO 0.07 0.23 1.26 1.55 0.02 0.00 0.00 177.10 180.22 2kg2 h PRO 45 N 3.69 0.45 -0.39 -0.60 0.13 -1.92 -2.77 132.00 130.59 2kg2 h PRO 45 Ca -0.48 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 2kg2 h PRO 45 Cb 1.18 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kg2 h PRO 45 CO 0.69 0.94 0.00 1.19 -0.23 0.00 0.00 178.00 180.60 2kg2 n PHE 46 N -4.36 0.67 0.00 1.56 3.72 -1.26 -4.07 117.46 113.72 2kg2 n PHE 46 Ca -0.07 -0.57 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 2kg2 n PHE 46 Cb 0.51 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 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 0.48 1.40 0.11 4.37 2.88 -1.24 -4.58 113.62 117.05 2kg2 n SER 47 Ca 0.15 -1.39 -0.02 0.00 -1.33 0.00 0.00 58.87 56.29 2kg2 n SER 47 Cb 0.56 -0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.06 2kg2 n SER 47 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2kg2 h GLU 48 N 0.04 0.00 -0.01 -1.46 4.11 -1.50 -3.30 114.58 112.47 2kg2 h GLU 48 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 2kg2 h GLU 48 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2kg2 h GLU 48 CO 0.00 0.72 -0.38 0.22 0.07 0.00 0.00 179.01 179.64 2kg2 h ASP 49 N 0.00 0.35 -3.76 3.06 3.58 -1.85 -3.45 116.42 114.35 2kg2 h ASP 49 Ca -0.01 -0.76 -0.42 0.00 0.42 0.00 0.00 57.03 56.26 2kg2 h ASP 49 Cb 1.41 -0.11 -0.31 0.00 1.72 0.00 0.00 39.33 42.04 2kg2 h ASP 49 CO 0.09 1.06 -0.79 -0.54 -2.88 0.00 0.00 179.24 176.19 2kg2 s LYS 50 N -3.21 0.95 0.00 0.28 -0.14 -1.24 -5.02 119.74 111.36 2kg2 s LYS 50 Ca -0.15 -0.28 0.12 0.00 -1.36 0.00 0.00 55.97 54.30 2kg2 s LYS 50 Cb 0.02 -0.89 0.70 0.00 -1.68 0.00 0.00 37.83 35.99 2kg2 s LYS 50 CO 0.77 0.09 1.46 0.25 -0.76 0.00 0.00 175.35 177.16 2kg2 n THR 51 N 3.38 0.01 -2.22 2.17 -2.24 -1.25 -4.51 114.28 109.61 2kg2 n THR 51 Ca -0.19 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 2kg2 n THR 51 Cb 0.54 -0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.37 6.08 0.96 3.42 2.15 -1.26 -4.83 116.67 121.83 2kg2 s ASP 52 Ca 0.18 0.88 -0.14 0.00 0.43 0.00 0.00 52.55 53.90 2kg2 s ASP 52 Cb 0.08 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.34 2kg2 s ASP 52 CO 0.14 -1.63 1.15 -0.54 -0.17 0.00 0.00 175.17 174.12 2kg2 s LYS 53 N 5.41 0.72 0.00 4.34 1.02 -1.26 -4.95 119.74 125.01 2kg2 s LYS 53 Ca 0.67 0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.82 2kg2 s LYS 53 Cb -0.16 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 2kg2 s LYS 53 CO 0.31 -2.46 0.00 0.41 -0.92 0.00 0.00 175.35 172.69 2kg2 n GLY 54 N -2.17 4.36 3.66 -3.33 0.00 -1.26 -4.92 105.19 101.52 2kg2 n GLY 54 Ca 0.08 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 4.22 0.24 -0.61 -1.09 -1.25 -3.62 121.20 117.09 2kg2 s ILE 55 Ca 0.00 1.48 0.11 0.00 -2.23 0.00 0.00 60.65 60.01 2kg2 s ILE 55 Cb 0.00 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 2kg2 s ILE 55 CO 0.00 -0.13 -0.21 -0.72 -1.23 0.00 0.00 174.94 172.65 2kg2 s TYR 56 N 3.50 2.24 0.01 3.97 -0.85 -1.25 -0.18 117.35 124.79 2kg2 s TYR 56 Ca 0.56 -0.36 -0.26 0.00 -0.52 0.00 0.00 57.07 56.50 2kg2 s TYR 56 Cb -0.23 -1.03 -0.05 0.00 0.38 0.00 0.00 41.96 41.04 2kg2 s TYR 56 CO 0.16 0.61 0.79 0.08 -1.52 0.00 0.00 175.55 175.67 2kg2 s VAL 57 N -2.22 4.83 -0.04 -3.49 1.01 -1.26 -0.73 120.40 118.50 2kg2 s VAL 57 Ca 0.26 1.67 0.13 0.00 0.00 0.00 0.00 61.98 64.04 2kg2 s VAL 57 Cb -0.06 -4.14 -0.20 0.00 0.00 0.00 0.00 36.38 31.99 2kg2 s VAL 57 CO 0.12 0.30 0.29 0.35 0.00 0.00 0.00 175.10 176.16 2kg2 n THR 58 N 3.25 0.00 -3.86 3.92 -2.24 0.10 0.11 114.28 115.56 2kg2 n THR 58 Ca -0.00 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 2kg2 n THR 58 Cb 0.51 0.23 -0.13 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.87 0.15 -0.02 -0.78 3.52 -1.20 -4.88 118.95 112.88 2kg2 s ARG 59 Ca -0.04 -0.03 -0.00 0.00 -0.13 0.00 0.00 55.73 55.52 2kg2 s ARG 59 Cb 0.08 0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.56 2kg2 s ARG 59 CO 0.53 -0.03 0.04 0.08 -0.81 0.00 0.00 175.30 175.12 2kg2 s VAL 60 N -0.28 -0.05 0.00 7.11 1.01 -1.26 -0.24 120.40 126.69 2kg2 s VAL 60 Ca -0.03 0.17 -0.37 0.00 0.00 0.00 0.00 61.98 61.75 2kg2 s VAL 60 Cb -0.02 -0.08 -0.16 0.00 0.00 0.00 0.00 36.38 36.12 2kg2 s VAL 60 CO 0.00 0.07 1.51 -1.20 0.00 0.00 0.00 175.10 175.48 2kg2 n SER 61 N 3.96 2.18 0.19 3.32 7.64 -0.91 -4.84 113.62 125.16 2kg2 n SER 61 Ca -0.25 1.09 0.14 0.00 1.01 0.00 0.00 58.87 60.86 2kg2 n SER 61 Cb 0.52 -1.23 0.62 0.00 -1.01 0.00 0.00 64.21 63.11 2kg2 n SER 61 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2kg2 h GLU 62 N 5.74 0.00 0.00 1.43 4.11 -1.99 -3.25 114.58 120.62 2kg2 h GLU 62 Ca -0.47 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.76 2kg2 h GLU 62 Cb 1.31 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.42 2kg2 h GLU 62 CO 0.85 0.00 -0.30 0.41 0.07 0.00 0.00 179.01 180.04 2kg2 n GLY 63 N -0.41 1.44 1.78 1.06 0.00 -1.26 -5.03 105.19 102.78 2kg2 n GLY 63 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.89 3.77 0.24 -0.02 0.00 -1.22 -5.01 105.19 102.06 2kg2 n GLY 64 Ca -0.09 -2.16 0.07 0.00 0.00 0.00 0.00 46.02 43.85 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 0.80 1.61 0.13 -1.84 -1.40 132.00 131.29 2kg2 h PRO 65 Ca -0.19 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 2kg2 h PRO 65 Cb 0.63 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.77 2kg2 h PRO 65 CO 0.31 0.12 -0.40 0.00 -0.23 0.00 0.00 178.00 177.80 2kg2 h ALA 66 N 1.88 -1.28 -0.04 -0.56 0.00 -1.87 0.11 119.26 117.49 2kg2 h ALA 66 Ca -0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2kg2 h ALA 66 Cb 0.22 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2kg2 h ALA 66 CO 0.02 -1.21 -0.49 1.05 0.00 0.00 0.00 179.25 178.61 2kg2 h GLU 67 N -1.08 0.11 -0.87 0.00 4.11 -1.58 0.43 114.58 115.70 2kg2 h GLU 67 Ca -0.11 -0.06 0.02 0.00 0.07 0.00 0.00 59.36 59.28 2kg2 h GLU 67 Cb 0.84 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 2kg2 h GLU 67 CO 0.17 0.58 0.57 0.82 0.07 0.00 0.00 179.01 181.23 2kg2 h ILE 68 N 0.09 1.19 0.05 -1.06 1.08 -1.13 -2.63 117.51 115.10 2kg2 h ILE 68 Ca 0.00 -0.39 -0.17 0.00 -0.39 0.00 0.00 64.86 63.91 2kg2 h ILE 68 Cb 0.91 -0.06 0.02 0.00 -3.07 0.00 0.00 36.82 34.62 2kg2 h ILE 68 CO 0.07 0.21 -0.69 0.00 -0.69 0.00 0.00 178.15 177.05 2kg2 h ALA 69 N 1.34 0.01 0.00 1.87 0.00 -0.61 -3.48 119.26 118.39 2kg2 h ALA 69 Ca 0.33 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kg2 h ALA 69 Cb -0.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kg2 h ALA 69 CO -0.09 0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.94 2kg2 n GLY 70 N 1.28 0.52 3.66 0.00 0.00 -0.19 -4.81 105.19 105.66 2kg2 n GLY 70 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 4.15 0.31 0.99 2.96 0.14 -4.96 118.68 122.26 2kg2 s LEU 71 Ca 0.00 0.82 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 2kg2 s LEU 71 Cb 0.00 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 2kg2 s LEU 71 CO 0.00 -0.26 0.14 -1.10 -1.32 0.00 0.00 176.35 173.81 2kg2 s GLN 72 N 1.85 2.50 0.18 1.98 -1.52 -1.26 -3.79 119.66 119.59 2kg2 s GLN 72 Ca 0.28 -1.39 -0.30 0.00 -1.95 0.00 0.00 55.36 52.00 2kg2 s GLN 72 Cb -0.16 -2.28 -0.08 0.00 -0.22 0.00 0.00 33.01 30.27 2kg2 s GLN 72 CO 0.10 0.22 1.21 0.42 -0.25 0.00 0.00 175.29 176.99 2kg2 s ILE 73 N -2.33 3.58 0.00 1.08 1.01 -1.26 -3.03 121.20 120.25 2kg2 s ILE 73 Ca 0.36 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.32 2kg2 s ILE 73 Cb -0.05 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.58 2kg2 s ILE 73 CO 0.23 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2kg2 n GLY 74 N 2.29 0.40 0.00 6.18 0.00 0.12 -4.21 105.19 109.97 2kg2 n GLY 74 Ca 0.05 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.25 2kg2 n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kg2 n ASP 75 N 1.73 0.00 -3.06 1.61 8.00 -1.17 -4.34 116.55 119.32 2kg2 n ASP 75 Ca 0.00 -0.57 -0.01 0.00 0.71 0.00 0.00 54.79 54.93 2kg2 n ASP 75 Cb 0.00 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.12 40.99 2kg2 n ASP 75 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2kg2 n LYS 76 N -1.10 -1.34 -2.90 -1.24 4.81 -1.26 -0.76 118.16 114.36 2kg2 n LYS 76 Ca 0.17 1.36 -0.41 0.00 -0.87 0.00 0.00 58.31 58.56 2kg2 n LYS 76 Cb 0.13 -1.56 -0.04 0.00 0.02 0.00 0.00 35.03 33.58 2kg2 n LYS 76 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2kg2 s ILE 77 N -0.55 4.91 -0.37 3.15 1.01 0.75 -0.87 121.20 129.22 2kg2 s ILE 77 Ca -0.03 1.62 0.08 0.00 0.00 0.00 0.00 60.65 62.33 2kg2 s ILE 77 Cb 0.00 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 2kg2 s ILE 77 CO 0.12 0.07 0.34 0.23 0.00 0.00 0.00 174.94 175.70 2kg2 n MET 78 N 4.94 4.01 -3.66 2.79 2.81 0.09 -4.00 117.12 124.10 2kg2 n MET 78 Ca 0.04 -0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.85 2kg2 n MET 78 Cb 0.49 -0.91 -0.08 0.00 -0.71 0.00 0.00 33.22 32.01 2kg2 n MET 78 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2kg2 s GLN 79 N -1.83 0.55 -0.08 0.03 2.00 -1.08 -0.48 119.66 118.76 2kg2 s GLN 79 Ca 0.03 1.11 -0.01 0.00 -2.00 0.00 0.00 55.36 54.49 2kg2 s GLN 79 Cb 0.06 0.22 0.03 0.00 0.80 0.00 0.00 33.01 34.12 2kg2 s GLN 79 CO 0.34 -0.17 -0.04 0.08 -0.50 0.00 0.00 175.29 175.00 2kg2 s VAL 80 N 1.87 0.68 -1.27 1.34 1.01 -1.26 0.86 120.40 123.62 2kg2 s VAL 80 Ca -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 2kg2 s VAL 80 Cb -0.08 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.55 2kg2 s VAL 80 CO -0.17 0.30 0.08 -3.20 0.00 0.00 0.00 175.10 172.12 2kg2 n ASN 81 N 4.88 -4.48 0.00 3.32 4.05 0.14 0.18 115.26 123.35 2kg2 n ASN 81 Ca -0.12 0.07 0.00 0.00 0.45 0.00 0.00 54.58 54.98 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 -0.93 0.61 0.69 8.20 0.00 -1.26 -4.92 105.19 107.57 2kg2 n GLY 82 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2kg2 n GLY 82 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kg2 n TRP 83 N -2.53 0.00 -1.20 1.61 4.27 0.13 -5.07 117.44 114.64 2kg2 n TRP 83 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2kg2 n TRP 83 Cb 0.04 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 29.98 2kg2 n TRP 83 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 2kg2 n ASP 84 N 0.57 -6.33 0.00 -0.67 -0.08 -1.25 -4.91 116.55 103.87 2kg2 n ASP 84 Ca 0.12 0.80 0.00 0.00 -1.51 0.00 0.00 54.79 54.20 2kg2 n ASP 84 Cb 0.52 -2.83 0.00 0.00 2.34 0.00 0.00 41.12 41.15 2kg2 n ASP 84 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 2kg2 n MET 85 N 0.41 2.05 0.18 -0.67 0.00 0.37 -4.62 117.12 114.84 2kg2 n MET 85 Ca 0.00 -0.23 0.14 0.00 -0.00 0.00 0.00 57.70 57.61 2kg2 n MET 85 Cb 0.00 -0.69 0.59 0.00 0.00 0.00 0.00 33.22 33.11 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 0.10 0.00 -2.35 1.12 1.03 -1.24 -3.33 112.91 108.24 2kg2 h THR 86 Ca 0.00 -0.26 -0.41 0.00 -0.01 0.00 0.00 66.41 65.73 2kg2 h THR 86 Cb 0.05 1.04 -0.35 0.00 -1.07 0.00 0.00 68.15 67.81 2kg2 h THR 86 CO 0.00 0.00 -0.70 -0.32 -0.01 0.00 0.00 175.52 174.49 2kg2 s MET 87 N -3.47 0.33 -0.16 0.00 0.00 -1.26 -4.45 119.30 110.29 2kg2 s MET 87 Ca 0.02 -0.41 -0.29 0.00 0.00 0.00 0.00 55.69 55.02 2kg2 s MET 87 Cb 0.09 -0.85 0.10 0.00 0.00 0.00 0.00 34.83 34.16 2kg2 s MET 87 CO 0.41 -1.06 0.84 0.54 0.00 0.00 0.00 175.02 175.75 2kg2 s VAL 88 N 2.11 0.00 0.62 10.11 0.11 -1.26 -5.07 120.40 127.02 2kg2 s VAL 88 Ca 0.11 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.01 2kg2 s VAL 88 Cb -0.15 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.68 2kg2 s VAL 88 CO -0.29 0.00 1.07 0.42 -3.33 0.00 0.00 175.10 172.97 2kg2 s THR 89 N -0.65 3.69 0.21 5.04 -4.23 -1.26 -3.76 115.64 114.68 2kg2 s THR 89 Ca -0.04 0.76 -0.09 0.00 -1.18 0.00 0.00 61.69 61.15 2kg2 s THR 89 Cb -0.02 -3.31 0.16 0.00 1.34 0.00 0.00 72.50 70.67 2kg2 s THR 89 CO 0.03 -0.51 1.74 -0.74 -0.54 0.00 0.00 174.62 174.61 2kg2 h HIS 90 N 0.18 0.42 -0.58 3.99 2.76 -1.92 0.13 115.15 120.14 2kg2 h HIS 90 Ca -0.46 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.69 2kg2 h HIS 90 Cb 1.23 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.07 2kg2 h HIS 90 CO 0.58 0.10 0.19 0.22 -1.30 0.00 0.00 177.93 177.72 2kg2 h ASP 91 N 0.42 0.83 0.56 3.26 3.58 -1.99 0.19 116.42 123.27 2kg2 h ASP 91 Ca 0.33 -0.20 -0.18 0.00 0.42 0.00 0.00 57.03 57.40 2kg2 h ASP 91 Cb 0.41 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2kg2 h ASP 91 CO -0.32 0.81 -0.79 1.56 -2.88 0.00 0.00 179.24 177.62 2kg2 h GLN 92 N 0.81 0.17 -0.28 0.28 7.50 -1.83 -2.99 115.11 118.77 2kg2 h GLN 92 Ca 0.19 -0.17 -0.10 0.00 0.50 0.00 0.00 58.65 59.07 2kg2 h GLN 92 Cb 0.27 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 2kg2 h GLN 92 CO -0.01 0.87 -0.20 0.00 -1.50 0.00 0.00 178.83 177.99 2kg2 h ALA 93 N 1.07 0.40 -0.98 3.87 0.00 -0.35 -3.01 119.26 120.26 2kg2 h ALA 93 Ca -0.03 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.62 2kg2 h ALA 93 Cb 1.38 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 2kg2 h ALA 93 CO 0.12 0.34 0.62 0.00 0.00 0.00 0.00 179.25 180.33 2kg2 h ARG 94 N 0.36 1.02 -1.00 0.00 2.47 -0.62 -0.17 114.38 116.45 2kg2 h ARG 94 Ca 0.05 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 2kg2 h ARG 94 Cb 0.75 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 2kg2 h ARG 94 CO 0.05 0.67 0.07 1.63 0.56 0.00 0.00 179.97 182.95 2kg2 n LYS 95 N -4.59 1.15 0.00 0.04 5.02 -1.13 -1.05 118.16 117.60 2kg2 n LYS 95 Ca 0.17 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2kg2 n LYS 95 Cb 0.28 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.31 0.00 -0.01 1.97 3.00 -0.22 -4.71 116.66 116.99 2kg2 n ARG 96 Ca 0.06 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 58.01 2kg2 n ARG 96 Cb 0.61 -0.29 -0.16 0.00 0.00 0.00 0.00 32.46 32.62 2kg2 n ARG 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2kg2 n LEU 97 N -1.84 0.00 -0.34 6.15 -0.00 -0.34 -4.22 117.00 116.41 2kg2 n LEU 97 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.05 2kg2 n LEU 97 Cb 0.00 0.02 0.10 0.00 -0.00 0.00 0.00 43.42 43.54 2kg2 n LEU 97 CO 0.00 0.02 0.58 1.07 -0.00 0.00 0.00 177.39 179.06 2kg2 n THR 98 N -2.23 1.19 -1.92 1.47 5.66 -0.21 -4.20 114.28 114.04 2kg2 n THR 98 Ca -0.05 -1.19 -0.39 0.00 -3.05 0.00 0.00 64.05 59.37 2kg2 n THR 98 Cb 0.56 0.37 0.01 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 -1.32 3.69 0.00 1.09 -2.85 -1.03 -4.88 119.74 114.43 2kg2 s LYS 99 Ca 0.16 2.25 0.20 0.00 -1.00 0.00 0.00 55.97 57.57 2kg2 s LYS 99 Cb 0.10 -2.60 0.43 0.00 -2.06 0.00 0.00 37.83 33.70 2kg2 s LYS 99 CO 0.07 -0.75 1.36 2.89 0.10 0.00 0.00 175.35 179.02 2kg2 n ARG 100 N -0.25 2.46 0.07 1.78 1.85 -1.26 -4.12 116.66 117.19 2kg2 n ARG 100 Ca 0.06 -2.24 -0.18 0.00 -1.00 0.00 0.00 57.85 54.49 2kg2 n ARG 100 Cb 0.43 -1.45 -0.14 0.00 -1.05 0.00 0.00 32.46 30.25 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 3.74 0.44 -2.73 2.89 0.02 -1.90 -3.45 113.55 112.56 2kg2 h SER 101 Ca 0.00 -0.61 -0.45 0.00 -0.84 0.00 0.00 61.79 59.88 2kg2 h SER 101 Cb 0.89 -0.14 0.03 0.00 0.14 0.00 0.00 62.40 63.32 2kg2 h SER 101 CO 0.00 1.51 -0.07 -0.70 -1.14 0.00 0.00 176.83 176.43 2kg2 s GLU 102 N -2.61 2.94 0.05 3.45 2.56 -1.26 -5.06 118.70 118.77 2kg2 s GLU 102 Ca -0.10 -0.53 -0.01 0.00 0.00 0.00 0.00 54.97 54.33 2kg2 s GLU 102 Cb 0.06 -2.53 -0.00 0.00 2.00 0.00 0.00 34.13 33.66 2kg2 s GLU 102 CO 0.86 -0.39 -0.02 -0.85 -0.56 0.00 0.00 175.26 174.30 2kg2 n GLU 103 N -2.16 0.03 -5.12 4.30 0.28 -1.26 -4.92 120.64 111.79 2kg2 n GLU 103 Ca 0.03 0.01 -0.31 0.00 -0.16 0.00 0.00 57.16 56.73 2kg2 n GLU 103 Cb 0.58 -0.38 -0.17 0.00 1.43 0.00 0.00 31.44 32.90 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 -1.69 1.90 0.28 3.84 0.11 -1.25 -1.71 120.40 121.89 2kg2 s VAL 104 Ca -0.01 -0.94 0.02 0.00 -2.93 0.00 0.00 61.98 58.12 2kg2 s VAL 104 Cb 0.00 -1.65 -0.05 0.00 -1.53 0.00 0.00 36.38 33.16 2kg2 s VAL 104 CO 0.02 0.53 0.12 0.68 -3.33 0.00 0.00 175.10 173.11 2kg2 s VAL 105 N 0.29 0.50 -0.21 2.04 -7.23 -1.03 -5.01 120.40 109.76 2kg2 s VAL 105 Ca -0.15 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.03 2kg2 s VAL 105 Cb -0.17 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.23 2kg2 s VAL 105 CO 0.07 0.00 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.62 2kg2 s ARG 106 N -3.94 2.14 0.09 4.82 1.81 -1.26 -3.01 118.95 119.60 2kg2 s ARG 106 Ca 0.36 -0.91 0.09 0.00 -1.72 0.00 0.00 55.73 53.55 2kg2 s ARG 106 Cb 0.07 -2.50 -0.04 0.00 -0.45 0.00 0.00 34.95 32.03 2kg2 s ARG 106 CO 0.15 -0.43 -0.20 -0.51 -0.68 0.00 0.00 175.30 173.63 2kg2 s LEU 107 N 1.35 2.59 -0.18 2.53 2.01 0.03 0.24 118.68 127.24 2kg2 s LEU 107 Ca -0.02 -0.55 -0.01 0.00 0.01 0.00 0.00 54.13 53.57 2kg2 s LEU 107 Cb -0.16 -1.48 0.00 0.00 0.01 0.00 0.00 46.19 44.56 2kg2 s LEU 107 CO -0.08 0.21 -0.13 -0.76 1.01 0.00 0.00 176.35 176.59 2kg2 s LEU 108 N -1.87 2.51 0.12 1.79 1.02 0.25 0.37 118.68 122.87 2kg2 s LEU 108 Ca 0.16 -0.50 0.10 0.00 0.02 0.00 0.00 54.13 53.91 2kg2 s LEU 108 Cb -0.10 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 2kg2 s LEU 108 CO 0.08 0.02 -0.21 0.68 0.02 0.00 0.00 176.35 176.94 2kg2 s VAL 109 N 1.18 2.66 -0.20 -1.59 -7.23 -0.10 -0.73 120.40 114.39 2kg2 s VAL 109 Ca 0.02 -1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 58.53 2kg2 s VAL 109 Cb -0.14 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 2kg2 s VAL 109 CO -0.05 0.09 0.01 0.42 -0.31 0.00 0.00 175.10 175.26 2kg2 s THR 110 N -1.14 4.06 -1.11 5.32 -4.23 0.06 -0.27 115.64 118.33 2kg2 s THR 110 Ca 0.17 -0.27 -0.22 0.00 -1.18 0.00 0.00 61.69 60.18 2kg2 s THR 110 Cb -0.10 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 2kg2 s THR 110 CO 0.09 0.42 1.79 -0.13 -0.54 0.00 0.00 174.62 176.25 2kg2 s ARG 111 N 1.01 3.09 0.03 3.99 1.81 0.12 -4.18 118.95 124.81 2kg2 s ARG 111 Ca 0.02 -1.14 -0.06 0.00 -1.72 0.00 0.00 55.73 52.83 2kg2 s ARG 111 Cb -0.14 -5.29 -0.30 0.00 -0.45 0.00 0.00 34.95 28.77 2kg2 s ARG 111 CO 0.02 -3.06 0.99 1.96 -0.68 0.00 0.00 175.30 174.53 2kg2 h GLN 112 N 9.62 0.32 -5.48 3.54 1.08 -1.83 -3.37 115.11 118.99 2kg2 h GLN 112 Ca 0.24 -0.55 -0.05 0.00 -1.45 0.00 0.00 58.65 56.84 2kg2 h GLN 112 Cb 0.95 0.20 0.01 0.00 -0.05 0.00 0.00 27.48 28.60 2kg2 h GLN 112 CO 1.32 1.23 -0.12 -1.13 -0.95 0.00 0.00 178.83 179.18 2kg2 n SER 113 N -3.54 -7.53 -0.05 1.46 3.41 -1.26 -4.95 113.62 101.15 2kg2 n SER 113 Ca -0.14 -0.17 -0.13 0.00 -0.26 0.00 0.00 58.87 58.17 2kg2 n SER 113 Cb 1.05 -5.04 -0.01 0.00 -0.26 0.00 0.00 64.21 59.95 2kg2 n SER 113 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2kg2 h LEU 114 N 0.32 0.86 -8.86 1.04 -0.00 -1.80 -3.40 115.31 103.47 2kg2 h LEU 114 Ca -0.08 -0.46 -0.63 0.00 -0.00 0.00 0.00 57.88 56.71 2kg2 h LEU 114 Cb 1.04 -0.25 -0.20 0.00 -0.00 0.00 0.00 40.66 41.25 2kg2 h LEU 114 CO 0.31 1.24 -0.63 -1.10 -0.00 0.00 0.00 178.44 178.26 2kg2 s GLN 115 N -4.08 3.75 -1.07 1.13 -0.21 -1.26 -5.03 119.66 112.88 2kg2 s GLN 115 Ca -0.10 -0.46 -0.14 0.00 0.02 0.00 0.00 55.36 54.69 2kg2 s GLN 115 Cb 0.10 -3.11 0.19 0.00 1.00 0.00 0.00 33.01 31.20 2kg2 s GLN 115 CO 0.88 0.14 1.20 -1.59 -2.12 0.00 0.00 175.29 173.79 2kg2 s LYS 116 N 0.69 3.95 0.09 2.91 -2.85 -1.26 -4.98 119.74 118.29 2kg2 s LYS 116 Ca 0.01 -2.54 -0.06 0.00 -1.00 0.00 0.00 55.97 52.38 2kg2 s LYS 116 Cb -0.14 -4.83 -0.05 0.00 -2.06 0.00 0.00 37.83 30.75 2kg2 s LYS 116 CO 0.02 -1.58 0.34 0.00 0.10 0.00 0.00 175.35 174.23 2kg2 s ALA 117 N 0.95 3.82 -0.70 0.59 0.00 -1.26 -4.99 121.76 120.17 2kg2 s ALA 117 Ca 0.34 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 2kg2 s ALA 117 Cb -0.06 -2.11 0.40 0.00 0.00 0.00 0.00 23.12 21.36 2kg2 s ALA 117 CO -0.05 0.67 1.88 0.28 0.00 0.00 0.00 175.76 178.53 2kg2 n VAL 118 N 0.48 3.41 0.01 0.00 0.31 -1.26 -4.13 118.33 117.15 2kg2 n VAL 118 Ca -0.06 -3.84 -0.11 0.00 -0.01 0.00 0.00 64.34 60.32 2kg2 n VAL 118 Cb 0.52 -1.21 -0.14 0.00 -0.91 0.00 0.00 33.84 32.11 2kg2 n VAL 118 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2kg2 h GLN 119 N 2.52 0.07 -5.63 5.55 1.08 -2.00 -3.44 115.11 113.26 2kg2 h GLN 119 Ca 0.54 -0.11 -0.65 0.00 -1.45 0.00 0.00 58.65 56.98 2kg2 h GLN 119 Cb 0.52 0.04 -0.18 0.00 -0.05 0.00 0.00 27.48 27.82 2kg2 h GLN 119 CO 1.39 0.74 -0.63 -1.14 -0.95 0.00 0.00 178.83 178.24 2kg2 s GLN 120 N -2.61 3.39 -0.22 1.46 2.00 -1.26 -5.06 119.66 117.36 2kg2 s GLN 120 Ca -0.06 -0.44 -0.29 0.00 -2.00 0.00 0.00 55.36 52.56 2kg2 s GLN 120 Cb 0.08 -2.90 -0.01 0.00 0.80 0.00 0.00 33.01 30.98 2kg2 s GLN 120 CO 0.82 0.47 1.39 0.45 -0.50 0.00 0.00 175.29 177.92 2kg2 s SER 121 N -0.24 6.70 0.58 6.67 0.15 -1.26 -4.87 113.70 121.43 2kg2 s SER 121 Ca 0.05 1.55 0.37 0.00 0.70 0.00 0.00 55.95 58.62 2kg2 s SER 121 Cb -0.12 -2.54 1.71 0.00 -1.71 0.00 0.00 66.02 63.36 2kg2 s SER 121 CO 0.02 -1.00 2.10 0.24 1.20 0.00 0.00 173.24 175.80 2kg2 h MET 122 N 9.27 0.00 0.00 5.44 0.00 -1.97 -3.20 114.93 124.47 2kg2 h MET 122 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.41 2kg2 h MET 122 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.72 2kg2 h MET 122 CO 1.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.91 177.80 2kg2 n LEU 123 N -3.06 0.19 0.00 1.22 0.00 -1.26 -5.28 117.00 108.80 2kg2 n LEU 123 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 56.01 56.24 2kg2 n LEU 123 Cb 0.23 -0.44 0.00 0.00 0.00 0.00 0.00 43.42 43.20 2kg2 n LEU 123 CO 0.25 -0.44 0.00 -1.20 0.00 0.00 0.00 177.39 175.99