#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 1.06 -3.30 1.61 2.88 -1.26 -4.83 113.62 109.78 2kg2 n SER 2 Ca 0.00 -1.37 -0.15 0.00 -1.33 0.00 0.00 58.87 56.01 2kg2 n SER 2 Cb 0.00 -0.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.40 2kg2 n SER 2 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2kg2 s TYR 3 N -1.99 1.19 -0.43 0.66 1.13 -1.26 -5.13 117.35 111.53 2kg2 s TYR 3 Ca 0.40 -1.36 -0.01 0.00 -1.41 0.00 0.00 57.07 54.69 2kg2 s TYR 3 Cb 0.21 -0.21 0.12 0.00 -1.10 0.00 0.00 41.96 40.97 2kg2 s TYR 3 CO 0.34 -1.07 0.21 0.42 -2.51 0.00 0.00 175.55 172.93 2kg2 s ILE 4 N -3.17 3.07 0.90 -3.49 1.09 -1.26 -5.10 121.20 113.25 2kg2 s ILE 4 Ca 0.33 -2.33 -0.12 0.00 -1.10 0.00 0.00 60.65 57.42 2kg2 s ILE 4 Cb 0.00 -3.12 0.13 0.00 -1.06 0.00 0.00 42.46 38.41 2kg2 s ILE 4 CO 0.21 -0.70 1.13 -2.16 -0.10 0.00 0.00 174.94 173.32 2kg2 s PRO 5 N 0.82 1.22 -0.54 2.79 0.04 -1.26 -5.01 135.00 133.06 2kg2 s PRO 5 Ca 0.11 0.32 0.06 0.00 0.04 0.00 0.00 61.00 61.52 2kg2 s PRO 5 Cb -0.22 -1.85 0.35 0.00 0.04 0.00 0.00 34.50 32.82 2kg2 s PRO 5 CO -0.05 -2.15 0.92 0.41 0.04 0.00 0.00 177.00 176.18 2kg2 n GLY 6 N -2.21 5.26 3.72 0.56 0.00 -1.26 -5.07 105.19 106.18 2kg2 n GLY 6 Ca 0.07 -2.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.08 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 -3.30 4.62 0.00 1.61 0.74 -1.26 -4.83 119.66 117.23 2kg2 s GLN 7 Ca 0.47 1.44 0.00 0.00 0.05 0.00 0.00 55.36 57.32 2kg2 s GLN 7 Cb 0.30 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.99 2kg2 s GLN 7 CO -0.13 0.07 0.24 -0.35 -0.55 0.00 0.00 175.29 174.56 2kg2 n PRO 8 N 3.39 0.00 0.21 1.67 -0.04 -1.26 -5.02 135.00 133.95 2kg2 n PRO 8 Ca 0.04 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2kg2 n PRO 8 Cb 0.50 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -1.59 0.00 -0.01 0.52 0.24 -1.26 -5.00 118.33 111.22 2kg2 n VAL 9 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 2kg2 n VAL 9 Cb 0.00 -0.16 -0.14 0.00 -1.47 0.00 0.00 33.84 32.07 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 1.37 -3.63 3.34 1.03 -1.95 -3.45 112.91 109.62 2kg2 h THR 10 Ca 0.00 -2.40 -0.52 0.00 -0.01 0.00 0.00 66.41 63.48 2kg2 h THR 10 Cb 0.00 2.99 0.04 0.00 -1.07 0.00 0.00 68.15 70.10 2kg2 h THR 10 CO 0.00 0.63 0.60 0.00 -0.01 0.00 0.00 175.52 176.75 2kg2 s ALA 11 N -2.38 3.48 -0.24 0.00 0.00 -1.24 -4.80 121.76 116.59 2kg2 s ALA 11 Ca -0.19 1.10 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 2kg2 s ALA 11 Cb 0.02 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2kg2 s ALA 11 CO 0.74 -0.47 0.04 0.08 0.00 0.00 0.00 175.76 176.15 2kg2 s VAL 12 N -0.54 4.10 -0.30 0.00 1.01 -1.23 -4.20 120.40 119.24 2kg2 s VAL 12 Ca 0.51 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 2kg2 s VAL 12 Cb -0.36 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2kg2 s VAL 12 CO 0.43 0.37 0.41 -0.69 0.00 0.00 0.00 175.10 175.61 2kg2 s VAL 13 N 1.52 5.14 0.14 2.92 1.01 -1.26 0.43 120.40 130.30 2kg2 s VAL 13 Ca 0.06 0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.51 2kg2 s VAL 13 Cb -0.15 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2kg2 s VAL 13 CO 0.02 0.02 -0.14 0.00 0.00 0.00 0.00 175.10 174.99 2kg2 s GLN 14 N 2.13 1.11 0.19 2.72 1.03 0.12 -4.76 119.66 122.21 2kg2 s GLN 14 Ca 0.15 -1.34 -0.05 0.00 0.04 0.00 0.00 55.36 54.17 2kg2 s GLN 14 Cb -0.16 -0.97 -0.05 0.00 0.03 0.00 0.00 33.01 31.85 2kg2 s GLN 14 CO 0.11 0.18 0.44 -0.98 -2.54 0.00 0.00 175.29 172.50 2kg2 s ARG 15 N -2.94 3.63 0.08 9.60 1.04 -1.26 -0.71 118.95 128.39 2kg2 s ARG 15 Ca 0.13 -0.07 0.05 0.00 -1.04 0.00 0.00 55.73 54.79 2kg2 s ARG 15 Cb -0.04 -2.78 -0.03 0.00 -2.04 0.00 0.00 34.95 30.06 2kg2 s ARG 15 CO 0.04 0.38 -0.13 0.08 -0.04 0.00 0.00 175.30 175.64 2kg2 s VAL 16 N -1.80 1.05 -0.26 4.99 1.01 0.11 -4.79 120.40 120.71 2kg2 s VAL 16 Ca 0.42 -1.42 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 2kg2 s VAL 16 Cb -0.11 -1.16 0.12 0.00 0.00 0.00 0.00 36.38 35.23 2kg2 s VAL 16 CO 0.26 -0.34 0.28 -0.70 0.00 0.00 0.00 175.10 174.60 2kg2 s GLU 17 N -2.10 0.29 -0.13 2.72 2.12 -1.26 -0.07 118.70 120.28 2kg2 s GLU 17 Ca 0.00 0.04 -0.22 0.00 0.36 0.00 0.00 54.97 55.16 2kg2 s GLU 17 Cb -0.08 -0.79 -0.03 0.00 0.26 0.00 0.00 34.13 33.49 2kg2 s GLU 17 CO 0.02 -0.87 0.65 0.42 -0.54 0.00 0.00 175.26 174.94 2kg2 s ILE 18 N 2.37 5.04 -0.33 -3.70 1.09 -1.06 -4.63 121.20 120.00 2kg2 s ILE 18 Ca 0.09 1.30 -0.07 0.00 -1.10 0.00 0.00 60.65 60.87 2kg2 s ILE 18 Cb -0.15 -3.98 0.03 0.00 -1.06 0.00 0.00 42.46 37.30 2kg2 s ILE 18 CO -0.25 0.19 0.10 -1.00 -0.10 0.00 0.00 174.94 173.89 2kg2 s HIS 19 N 1.29 3.22 0.00 3.97 3.76 -1.26 -2.43 115.29 123.83 2kg2 s HIS 19 Ca 0.33 -1.24 0.00 0.00 -0.15 0.00 0.00 55.06 53.99 2kg2 s HIS 19 Cb -0.17 -2.28 0.00 0.00 1.11 0.00 0.00 32.58 31.25 2kg2 s HIS 19 CO 0.14 -0.67 0.00 0.36 -0.85 0.00 0.00 174.74 173.71 2kg2 n LYS 20 N 4.84 -0.31 -3.91 1.40 2.85 0.41 -4.74 118.16 118.71 2kg2 n LYS 20 Ca -0.13 0.33 -0.35 0.00 -1.05 0.00 0.00 58.31 57.11 2kg2 n LYS 20 Cb 0.46 -0.25 -0.14 0.00 -0.65 0.00 0.00 35.03 34.45 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 -0.06 3.00 -0.48 -5.58 2.96 -1.12 -5.01 118.68 112.39 2kg2 s LEU 21 Ca 0.00 -0.49 -0.13 0.00 -0.22 0.00 0.00 54.13 53.29 2kg2 s LEU 21 Cb 0.00 -1.73 0.10 0.00 0.50 0.00 0.00 46.19 45.05 2kg2 s LEU 21 CO 0.00 -0.05 0.39 -0.13 -1.32 0.00 0.00 176.35 175.24 2kg2 s ARG 22 N 1.46 2.82 -0.32 1.98 3.00 -1.26 -0.15 118.95 126.48 2kg2 s ARG 22 Ca 0.05 -1.54 -0.07 0.00 0.00 0.00 0.00 55.73 54.17 2kg2 s ARG 22 Cb -0.15 -4.07 0.02 0.00 0.00 0.00 0.00 34.95 30.76 2kg2 s ARG 22 CO -0.03 -1.12 0.09 -0.65 0.00 0.00 0.00 175.30 173.59 2kg2 s GLN 23 N 1.54 2.89 4.70 3.54 -1.52 -0.79 -4.94 119.66 125.08 2kg2 s GLN 23 Ca 0.04 -1.00 0.00 0.00 -1.95 0.00 0.00 55.36 52.45 2kg2 s GLN 23 Cb -0.26 -3.42 0.00 0.00 -0.22 0.00 0.00 33.01 29.11 2kg2 s GLN 23 CO 0.03 -0.55 0.00 0.41 -0.25 0.00 0.00 175.29 174.94 2kg2 n GLY 24 N 4.85 0.84 0.24 3.09 0.00 -1.26 -0.62 105.19 112.32 2kg2 n GLY 24 Ca -0.14 0.46 0.09 0.00 0.00 0.00 0.00 46.02 46.44 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 1.57 -4.44 1.61 1.02 -1.26 -5.03 120.64 114.11 2kg2 n GLU 25 Ca 0.00 -2.66 -0.23 0.00 -0.02 0.00 0.00 57.16 54.25 2kg2 n GLU 25 Cb 0.00 -1.57 -0.08 0.00 -0.02 0.00 0.00 31.44 29.77 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 -2.74 2.36 -0.14 1.62 0.01 0.21 -5.12 114.94 111.14 2kg2 s ASN 26 Ca 0.34 -1.65 0.01 0.00 -0.71 0.00 0.00 52.86 50.85 2kg2 s ASN 26 Cb 0.30 0.47 0.02 0.00 0.41 0.00 0.00 41.25 42.44 2kg2 s ASN 26 CO 0.04 -0.93 -0.14 -0.22 -1.51 0.00 0.00 177.10 174.33 2kg2 s LEU 27 N -3.52 1.68 0.24 0.60 1.98 -1.26 -1.88 118.68 116.53 2kg2 s LEU 27 Ca 0.29 -0.47 0.05 0.00 -2.89 0.00 0.00 54.13 51.11 2kg2 s LEU 27 Cb 0.03 -1.15 -0.05 0.00 0.66 0.00 0.00 46.19 45.68 2kg2 s LEU 27 CO 0.17 -0.04 -0.04 -0.63 -1.89 0.00 0.00 176.35 173.92 2kg2 s ILE 28 N 1.36 1.35 -2.62 6.68 1.01 0.79 -4.07 121.20 125.71 2kg2 s ILE 28 Ca 0.02 -2.09 0.26 0.00 0.00 0.00 0.00 60.65 58.84 2kg2 s ILE 28 Cb -0.13 -2.32 0.42 0.00 0.01 0.00 0.00 42.46 40.43 2kg2 s ILE 28 CO -0.08 -0.37 1.55 0.18 0.00 0.00 0.00 174.94 176.21 2kg2 n LEU 29 N -0.47 2.13 0.00 2.97 4.32 -1.26 -2.81 117.00 121.88 2kg2 n LEU 29 Ca -0.06 -0.75 0.00 0.00 -0.02 0.00 0.00 56.01 55.18 2kg2 n LEU 29 Cb 0.63 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 2kg2 n LEU 29 CO 0.37 0.38 0.00 0.61 -1.22 0.00 0.00 177.39 177.53 2kg2 n GLY 30 N 1.25 2.48 3.93 -0.72 0.00 -1.26 -3.76 105.19 107.11 2kg2 n GLY 30 Ca 0.17 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.10 3.00 0.25 1.61 -0.71 -1.26 -1.96 117.98 117.81 2kg2 s PHE 31 Ca 0.00 -0.27 0.02 0.00 -1.04 0.00 0.00 56.93 55.64 2kg2 s PHE 31 Cb 0.00 -1.93 -0.05 0.00 -1.21 0.00 0.00 43.02 39.83 2kg2 s PHE 31 CO 0.00 0.06 0.06 -1.12 -1.34 0.00 0.00 175.22 172.88 2kg2 s SER 32 N -4.10 1.43 0.37 1.98 0.01 0.13 -4.78 113.70 108.74 2kg2 s SER 32 Ca 0.44 -1.32 0.04 0.00 1.31 0.00 0.00 55.95 56.41 2kg2 s SER 32 Cb -0.08 0.10 -0.05 0.00 0.21 0.00 0.00 66.02 66.21 2kg2 s SER 32 CO 0.29 -0.66 0.06 0.27 0.41 0.00 0.00 173.24 173.62 2kg2 s ILE 33 N -3.63 1.14 -0.16 1.44 -4.36 -1.26 -0.48 121.20 113.89 2kg2 s ILE 33 Ca 0.34 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 2kg2 s ILE 33 Cb 0.07 -2.65 -0.00 0.00 1.25 0.00 0.00 42.46 41.13 2kg2 s ILE 33 CO 0.11 0.00 0.29 0.61 0.24 0.00 0.00 174.94 176.20 2kg2 n GLY 34 N -0.83 -0.10 0.00 6.27 0.00 0.63 -4.52 105.19 106.64 2kg2 n GLY 34 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.63 -2.26 0.14 -0.02 0.00 -1.26 -4.89 105.19 97.54 2kg2 n GLY 35 Ca 0.01 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.34 0.05 0.06 -0.02 0.00 -1.25 -1.71 105.19 101.97 2kg2 n GLY 36 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2kg2 n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kg2 n ILE 37 N -1.14 0.75 0.26 -0.61 -0.00 -1.22 -2.76 119.36 114.64 2kg2 n ILE 37 Ca 0.00 -0.65 0.15 0.00 -0.00 0.00 0.00 62.75 62.25 2kg2 n ILE 37 Cb 0.00 -0.28 0.57 0.00 -0.00 0.00 0.00 39.64 39.93 2kg2 n ILE 37 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2kg2 h ASP 38 N 0.00 0.00 -3.22 7.28 1.82 -1.95 -3.43 116.42 116.92 2kg2 h ASP 38 Ca -0.30 0.00 -0.67 0.00 -0.39 0.00 0.00 57.03 55.68 2kg2 h ASP 38 Cb 1.64 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 41.53 2kg2 h ASP 38 CO 0.02 0.04 -0.60 0.00 -1.61 0.00 0.00 179.24 177.08 2kg2 s GLN 39 N -3.59 2.99 -0.16 0.28 0.00 -1.26 -5.07 119.66 112.86 2kg2 s GLN 39 Ca 0.02 -0.46 -0.21 0.00 -0.00 0.00 0.00 55.36 54.71 2kg2 s GLN 39 Cb 0.09 -2.81 -0.03 0.00 0.00 0.00 0.00 33.01 30.25 2kg2 s GLN 39 CO 0.58 0.67 0.64 0.34 0.00 0.00 0.00 175.29 177.53 2kg2 s ASP 40 N -1.30 6.77 0.49 12.60 2.15 -1.26 -4.82 116.67 131.30 2kg2 s ASP 40 Ca 0.18 0.93 0.19 0.00 0.43 0.00 0.00 52.55 54.29 2kg2 s ASP 40 Cb -0.12 -2.36 1.24 0.00 -0.30 0.00 0.00 42.92 41.38 2kg2 s ASP 40 CO 0.08 -0.22 2.02 1.55 -0.17 0.00 0.00 175.17 178.43 2kg2 h PRO 41 N 7.23 0.14 0.00 4.34 0.13 -1.89 -1.84 132.00 140.12 2kg2 h PRO 41 Ca -0.34 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.69 2kg2 h PRO 41 Cb 1.16 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2kg2 h PRO 41 CO 0.77 0.09 -0.42 0.77 -0.23 0.00 0.00 178.00 178.99 2kg2 h SER 42 N 0.14 0.00 -0.32 1.44 0.02 -1.92 -2.58 113.55 110.33 2kg2 h SER 42 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2kg2 h SER 42 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2kg2 h SER 42 CO -0.03 0.42 0.00 0.00 -1.14 0.00 0.00 176.83 176.08 2kg2 n GLN 43 N -3.95 2.44 -3.89 3.45 10.64 -0.75 -4.89 117.38 120.43 2kg2 n GLN 43 Ca -0.02 -1.96 -0.31 0.00 -1.83 0.00 0.00 57.00 52.88 2kg2 n GLN 43 Cb 0.45 -1.29 -0.04 0.00 -0.86 0.00 0.00 30.24 28.50 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 -1.01 6.38 0.01 2.61 0.02 -0.87 -4.99 114.94 117.08 2kg2 s ASN 44 Ca 0.24 0.32 -0.25 0.00 -1.02 0.00 0.00 52.86 52.15 2kg2 s ASN 44 Cb 0.13 -1.98 -0.17 0.00 0.02 0.00 0.00 41.25 39.25 2kg2 s ASN 44 CO 0.18 0.17 1.32 1.55 0.02 0.00 0.00 177.10 180.34 2kg2 h PRO 45 N 3.18 -0.24 -0.40 -0.60 0.13 -1.91 -3.19 132.00 128.97 2kg2 h PRO 45 Ca -0.46 0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 2kg2 h PRO 45 Cb 1.17 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2kg2 h PRO 45 CO 0.74 0.08 0.04 1.19 -0.23 0.00 0.00 178.00 179.82 2kg2 n PHE 46 N -5.05 1.39 -0.19 1.56 3.72 -1.26 -4.17 117.46 113.45 2kg2 n PHE 46 Ca -0.09 -1.01 0.00 0.00 -0.05 0.00 0.00 57.45 56.31 2kg2 n PHE 46 Cb 0.23 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 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 -0.37 0.50 0.11 4.37 2.88 -1.24 -4.71 113.62 115.16 2kg2 n SER 47 Ca 0.27 -0.80 -0.17 0.00 -1.33 0.00 0.00 58.87 56.84 2kg2 n SER 47 Cb 1.04 0.22 -0.14 0.00 -0.75 0.00 0.00 64.21 64.59 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 0.00 0.31 0.38 -1.46 -0.00 -1.48 -3.20 114.58 109.13 2kg2 h GLU 48 Ca 0.00 -0.52 -0.02 0.00 -0.00 0.00 0.00 59.36 58.82 2kg2 h GLU 48 Cb 0.10 0.19 0.00 0.00 -0.00 0.00 0.00 28.75 29.04 2kg2 h GLU 48 CO 0.00 1.24 -0.18 0.22 -0.00 0.00 0.00 179.01 180.29 2kg2 h ASP 49 N 0.09 -0.43 -3.69 3.06 3.58 -1.85 -3.40 116.42 113.78 2kg2 h ASP 49 Ca -0.15 -0.12 -0.69 0.00 0.42 0.00 0.00 57.03 56.49 2kg2 h ASP 49 Cb 1.98 0.11 -0.30 0.00 1.72 0.00 0.00 39.33 42.84 2kg2 h ASP 49 CO 0.21 0.01 -0.63 -0.54 -2.88 0.00 0.00 179.24 175.41 2kg2 s LYS 50 N -3.89 2.55 0.00 0.28 -0.14 -1.25 -4.96 119.74 112.32 2kg2 s LYS 50 Ca -0.12 -1.23 0.13 0.00 -1.36 0.00 0.00 55.97 53.40 2kg2 s LYS 50 Cb 0.01 -3.40 0.49 0.00 -1.68 0.00 0.00 37.83 33.25 2kg2 s LYS 50 CO 0.40 -0.67 1.36 0.25 -0.76 0.00 0.00 175.35 175.93 2kg2 n THR 51 N 4.76 0.28 -2.26 2.17 -2.24 -1.21 -4.59 114.28 111.19 2kg2 n THR 51 Ca -0.12 -0.32 -0.43 0.00 -2.27 0.00 0.00 64.05 60.91 2kg2 n THR 51 Cb 0.44 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.24 6.53 1.11 3.42 2.15 -1.26 -4.85 116.67 122.53 2kg2 s ASP 52 Ca 0.24 1.45 -0.12 0.00 0.43 0.00 0.00 52.55 54.54 2kg2 s ASP 52 Cb 0.12 -2.54 0.25 0.00 -0.30 0.00 0.00 42.92 40.46 2kg2 s ASP 52 CO 0.18 -1.16 1.05 -0.54 -0.17 0.00 0.00 175.17 174.53 2kg2 s LYS 53 N 4.40 -0.49 0.00 4.34 1.02 -1.26 -4.99 119.74 122.74 2kg2 s LYS 53 Ca 0.64 0.91 0.00 0.00 0.02 0.00 0.00 55.97 57.54 2kg2 s LYS 53 Cb -0.21 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 2kg2 s LYS 53 CO 0.26 -3.46 0.00 0.41 -0.92 0.00 0.00 175.35 171.64 2kg2 n GLY 54 N 0.49 4.16 3.67 -3.33 0.00 -1.11 -4.46 105.19 104.60 2kg2 n GLY 54 Ca 0.04 -1.28 -0.46 0.00 0.00 0.00 0.00 46.02 44.33 2kg2 n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kg2 n ILE 55 N -0.84 0.03 -4.28 -0.61 2.08 -1.23 -4.20 119.36 110.31 2kg2 n ILE 55 Ca 0.00 -0.01 -0.23 0.00 0.56 0.00 0.00 62.75 63.07 2kg2 n ILE 55 Cb 0.00 -1.51 -0.12 0.00 -0.75 0.00 0.00 39.64 37.26 2kg2 n ILE 55 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 2kg2 s TYR 56 N 0.86 1.72 0.03 1.39 -0.85 -0.70 -0.32 117.35 119.48 2kg2 s TYR 56 Ca 0.79 -0.42 -0.27 0.00 -0.52 0.00 0.00 57.07 56.65 2kg2 s TYR 56 Cb -0.69 -0.95 -0.05 0.00 0.38 0.00 0.00 41.96 40.65 2kg2 s TYR 56 CO 0.39 0.19 0.83 0.08 -1.52 0.00 0.00 175.55 175.51 2kg2 s VAL 57 N -1.16 4.76 -0.01 -3.49 1.01 -0.19 -0.27 120.40 121.04 2kg2 s VAL 57 Ca 0.05 1.77 0.08 0.00 0.00 0.00 0.00 61.98 63.88 2kg2 s VAL 57 Cb -0.10 -4.18 -0.12 0.00 0.00 0.00 0.00 36.38 31.97 2kg2 s VAL 57 CO 0.04 0.30 0.17 0.35 0.00 0.00 0.00 175.10 175.96 2kg2 n THR 58 N 3.16 0.01 -3.80 3.92 -2.24 0.36 -0.49 114.28 115.21 2kg2 n THR 58 Ca 0.00 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 2kg2 n THR 58 Cb 0.50 0.29 -0.15 0.00 -2.10 0.00 0.00 70.33 68.87 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 -2.55 -0.01 0.02 -0.78 1.81 -1.06 -4.86 118.95 111.52 2kg2 s ARG 59 Ca -0.03 0.16 0.06 0.00 -1.72 0.00 0.00 55.73 54.19 2kg2 s ARG 59 Cb 0.05 -0.17 -0.02 0.00 -0.45 0.00 0.00 34.95 34.36 2kg2 s ARG 59 CO 0.33 -0.12 -0.17 0.08 -0.68 0.00 0.00 175.30 174.74 2kg2 s VAL 60 N 0.78 1.36 -0.37 3.52 1.01 -1.26 0.21 120.40 125.65 2kg2 s VAL 60 Ca -0.06 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 2kg2 s VAL 60 Cb -0.09 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2kg2 s VAL 60 CO -0.02 0.23 2.20 -0.44 0.00 0.00 0.00 175.10 177.07 2kg2 s SER 61 N -0.80 5.10 0.57 3.32 0.01 -0.83 -4.84 113.70 116.24 2kg2 s SER 61 Ca 0.05 1.36 0.39 0.00 1.31 0.00 0.00 55.95 59.06 2kg2 s SER 61 Cb -0.07 -2.51 1.45 0.00 0.21 0.00 0.00 66.02 65.10 2kg2 s SER 61 CO 0.01 -2.32 1.59 1.05 0.41 0.00 0.00 173.24 173.98 2kg2 h GLU 62 N 16.50 0.00 0.00 12.44 9.09 -1.98 -0.62 114.58 150.01 2kg2 h GLU 62 Ca -0.32 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 58.92 2kg2 h GLU 62 Cb 1.23 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 28.00 2kg2 h GLU 62 CO 1.07 0.00 -0.90 0.41 0.05 0.00 0.00 179.01 179.64 2kg2 n GLY 63 N -1.79 0.90 2.12 1.06 0.00 -1.26 -5.00 105.19 101.22 2kg2 n GLY 63 Ca 0.30 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 0.40 3.18 0.24 -0.02 0.00 -0.24 -4.96 105.19 103.79 2kg2 n GLY 64 Ca 0.01 -2.26 0.09 0.00 0.00 0.00 0.00 46.02 43.86 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 0.82 1.61 0.13 -1.83 -1.46 132.00 131.27 2kg2 h PRO 65 Ca -0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 2kg2 h PRO 65 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 2kg2 h PRO 65 CO 0.34 0.16 -0.49 0.00 -0.23 0.00 0.00 178.00 177.77 2kg2 h ALA 66 N 1.84 -1.28 0.00 -0.56 0.00 -1.83 0.65 119.26 118.08 2kg2 h ALA 66 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2kg2 h ALA 66 Cb 0.35 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2kg2 h ALA 66 CO 0.02 -1.23 -0.33 1.05 0.00 0.00 0.00 179.25 178.76 2kg2 h GLU 67 N -1.23 0.00 -0.52 0.00 4.11 -1.55 0.34 114.58 115.73 2kg2 h GLU 67 Ca -0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 2kg2 h GLU 67 Cb 0.98 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 2kg2 h GLU 67 CO 0.12 0.06 0.28 0.82 0.07 0.00 0.00 179.01 180.36 2kg2 h ILE 68 N 0.00 1.16 0.00 -1.06 1.08 -1.16 -3.14 117.51 114.39 2kg2 h ILE 68 Ca -0.01 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 2kg2 h ILE 68 Cb 1.06 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2kg2 h ILE 68 CO 0.01 0.18 -0.06 0.00 -0.69 0.00 0.00 178.15 177.59 2kg2 h ALA 69 N 1.59 0.01 0.00 1.87 0.00 -0.73 -3.49 119.26 118.51 2kg2 h ALA 69 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kg2 h ALA 69 Cb 0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kg2 h ALA 69 CO -0.03 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2kg2 n GLY 70 N 1.68 0.00 3.67 0.00 0.00 -0.34 -4.81 105.19 105.39 2kg2 n GLY 70 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 0.34 0.99 2.96 0.10 -4.89 118.68 122.33 2kg2 s LEU 71 Ca 0.00 0.41 0.09 0.00 -0.22 0.00 0.00 54.13 54.40 2kg2 s LEU 71 Cb 0.00 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 2kg2 s LEU 71 CO 0.00 -0.03 0.09 -1.10 -1.32 0.00 0.00 176.35 173.98 2kg2 s GLN 72 N 1.21 2.24 -0.05 1.98 -1.52 -1.26 -3.60 119.66 118.65 2kg2 s GLN 72 Ca 0.16 -1.65 -0.30 0.00 -1.95 0.00 0.00 55.36 51.62 2kg2 s GLN 72 Cb -0.14 -2.06 -0.03 0.00 -0.22 0.00 0.00 33.01 30.56 2kg2 s GLN 72 CO 0.07 0.11 1.20 0.42 -0.25 0.00 0.00 175.29 176.84 2kg2 s ILE 73 N -2.47 4.25 0.00 1.08 1.01 -1.26 -3.10 121.20 120.70 2kg2 s ILE 73 Ca 0.36 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.59 2kg2 s ILE 73 Cb -0.01 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2kg2 s ILE 73 CO 0.21 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.76 2kg2 n GLY 74 N 3.36 0.66 3.68 6.18 0.00 0.35 -5.00 105.19 114.43 2kg2 n GLY 74 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2kg2 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kg2 s ASP 75 N -2.21 7.20 -0.19 1.61 1.11 -1.18 -4.80 116.67 118.22 2kg2 s ASP 75 Ca 0.00 1.49 -0.17 0.00 0.18 0.00 0.00 52.55 54.05 2kg2 s ASP 75 Cb 0.00 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 2kg2 s ASP 75 CO 0.00 -0.51 0.45 -0.54 1.18 0.00 0.00 175.17 175.75 2kg2 s LYS 76 N 2.36 4.20 -0.14 8.23 1.02 -1.25 -1.03 119.74 133.12 2kg2 s LYS 76 Ca 0.47 0.31 -0.13 0.00 0.02 0.00 0.00 55.97 56.64 2kg2 s LYS 76 Cb -0.17 -3.54 -0.05 0.00 -0.52 0.00 0.00 37.83 33.55 2kg2 s LYS 76 CO 0.15 -0.06 0.28 0.42 -0.92 0.00 0.00 175.35 175.22 2kg2 s ILE 77 N 1.36 5.30 -0.08 2.17 1.09 0.56 -1.45 121.20 130.15 2kg2 s ILE 77 Ca 0.22 0.53 0.13 0.00 -1.10 0.00 0.00 60.65 60.42 2kg2 s ILE 77 Cb -0.15 -3.61 -0.18 0.00 -1.06 0.00 0.00 42.46 37.45 2kg2 s ILE 77 CO 0.09 0.43 0.15 0.23 -0.10 0.00 0.00 174.94 175.74 2kg2 n MET 78 N 3.28 1.28 -3.75 2.79 2.81 -0.26 -3.81 117.12 119.46 2kg2 n MET 78 Ca -0.13 -0.06 -0.15 0.00 -1.81 0.00 0.00 57.70 55.55 2kg2 n MET 78 Cb 0.52 -1.33 -0.16 0.00 -0.71 0.00 0.00 33.22 31.54 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 -2.59 -0.02 -0.13 0.03 2.00 -1.10 -0.84 119.66 117.03 2kg2 s GLN 79 Ca -0.06 0.26 -0.04 0.00 -2.00 0.00 0.00 55.36 53.52 2kg2 s GLN 79 Cb 0.06 -0.26 0.05 0.00 0.80 0.00 0.00 33.01 33.66 2kg2 s GLN 79 CO 0.56 -0.19 0.10 0.08 -0.50 0.00 0.00 175.29 175.34 2kg2 s VAL 80 N 1.25 -0.13 -1.40 1.34 1.01 0.20 -0.28 120.40 122.38 2kg2 s VAL 80 Ca -0.07 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2kg2 s VAL 80 Cb -0.13 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.86 2kg2 s VAL 80 CO -0.04 -0.10 0.96 -3.20 0.00 0.00 0.00 175.10 172.73 2kg2 n ASN 81 N 5.29 -4.00 0.00 3.32 4.05 0.14 -0.59 115.26 123.48 2kg2 n ASN 81 Ca -0.05 -0.72 0.00 0.00 0.45 0.00 0.00 54.58 54.26 2kg2 n ASN 81 Cb 0.49 -4.32 0.00 0.00 1.23 0.00 0.00 39.78 37.18 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 -1.68 1.58 3.79 8.20 0.00 -1.26 -4.91 105.19 110.90 2kg2 n GLY 82 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2kg2 n GLY 82 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kg2 s TRP 83 N -3.22 3.28 -0.41 1.61 -0.11 0.25 -5.06 118.94 115.28 2kg2 s TRP 83 Ca 0.00 0.18 -0.28 0.00 1.22 0.00 0.00 56.10 57.22 2kg2 s TRP 83 Cb 0.00 -1.71 0.02 0.00 -1.50 0.00 0.00 33.47 30.28 2kg2 s TRP 83 CO 0.00 0.55 1.05 0.16 -4.62 0.00 0.00 176.95 174.09 2kg2 s ASP 84 N -1.96 6.72 0.00 5.86 -4.77 -1.26 -0.63 116.67 120.63 2kg2 s ASP 84 Ca 0.25 0.63 0.26 0.00 -3.30 0.00 0.00 52.55 50.40 2kg2 s ASP 84 Cb -0.12 -2.52 0.68 0.00 -1.09 0.00 0.00 42.92 39.86 2kg2 s ASP 84 CO 0.17 -1.04 1.52 0.80 0.70 0.00 0.00 175.17 177.32 2kg2 n MET 85 N 7.26 0.29 -2.27 2.11 1.56 -0.02 -4.83 117.12 121.22 2kg2 n MET 85 Ca 0.10 -0.16 -0.41 0.00 -0.27 0.00 0.00 57.70 56.97 2kg2 n MET 85 Cb 0.48 -1.50 -0.03 0.00 2.15 0.00 0.00 33.22 34.32 2kg2 n MET 85 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 2kg2 s THR 86 N -2.82 3.19 -0.60 1.12 -1.32 -0.83 -3.77 115.64 110.62 2kg2 s THR 86 Ca 0.16 1.09 -0.12 0.00 -1.21 0.00 0.00 61.69 61.61 2kg2 s THR 86 Cb 0.18 -3.69 0.02 0.00 -1.51 0.00 0.00 72.50 67.50 2kg2 s THR 86 CO 0.62 0.21 0.65 0.80 -2.21 0.00 0.00 174.62 174.69 2kg2 n MET 87 N 1.78 -1.83 -3.66 7.08 0.00 -1.26 -4.99 117.12 114.24 2kg2 n MET 87 Ca 0.03 1.60 -0.15 0.00 -0.00 0.00 0.00 57.70 59.17 2kg2 n MET 87 Cb 0.43 -4.64 -0.08 0.00 0.00 0.00 0.00 33.22 28.94 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 -2.62 0.03 0.65 1.12 0.11 -1.26 -5.02 120.40 113.41 2kg2 s VAL 88 Ca 0.15 -0.28 -0.15 0.00 -2.93 0.00 0.00 61.98 58.77 2kg2 s VAL 88 Cb -0.03 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 2kg2 s VAL 88 CO 0.80 -0.15 1.10 0.42 -3.33 0.00 0.00 175.10 173.94 2kg2 s THR 89 N -1.27 3.32 0.21 5.04 -4.23 -1.26 -3.44 115.64 114.01 2kg2 s THR 89 Ca -0.12 0.62 -0.10 0.00 -1.18 0.00 0.00 61.69 60.90 2kg2 s THR 89 Cb -0.03 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.80 2kg2 s THR 89 CO 0.07 -0.38 1.80 -0.74 -0.54 0.00 0.00 174.62 174.83 2kg2 h HIS 90 N 0.08 0.65 0.26 3.99 2.76 -1.93 0.61 115.15 121.58 2kg2 h HIS 90 Ca -0.47 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.71 2kg2 h HIS 90 Cb 1.24 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.01 2kg2 h HIS 90 CO 0.55 0.31 -0.13 0.22 -1.30 0.00 0.00 177.93 177.59 2kg2 h ASP 91 N 0.66 -0.30 0.12 3.26 3.58 -2.00 0.14 116.42 121.88 2kg2 h ASP 91 Ca 0.29 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.67 2kg2 h ASP 91 Cb 0.18 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2kg2 h ASP 91 CO -0.18 -0.21 -0.25 1.56 -2.88 0.00 0.00 179.24 177.28 2kg2 h GLN 92 N -0.36 0.23 0.11 0.28 7.50 -1.87 -2.81 115.11 118.18 2kg2 h GLN 92 Ca -0.04 -0.07 -0.28 0.00 0.50 0.00 0.00 58.65 58.76 2kg2 h GLN 92 Cb 0.28 -0.02 0.02 0.00 0.05 0.00 0.00 27.48 27.80 2kg2 h GLN 92 CO 0.06 0.47 -1.19 0.00 -1.50 0.00 0.00 178.83 176.67 2kg2 h ALA 93 N 1.54 0.11 -0.72 3.87 0.00 -0.61 -3.29 119.26 120.15 2kg2 h ALA 93 Ca 0.03 -0.80 0.10 0.00 0.00 0.00 0.00 54.91 54.25 2kg2 h ALA 93 Cb 0.56 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 2kg2 h ALA 93 CO 0.04 0.81 0.34 0.00 0.00 0.00 0.00 179.25 180.44 2kg2 h ARG 94 N 0.19 0.55 -1.19 0.00 2.47 -0.46 0.11 114.38 116.04 2kg2 h ARG 94 Ca -0.15 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.39 2kg2 h ARG 94 Cb 1.87 -0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 29.99 2kg2 h ARG 94 CO 0.21 0.36 0.18 1.63 0.56 0.00 0.00 179.97 182.92 2kg2 n LYS 95 N -4.89 1.35 0.00 0.04 5.02 -1.18 -1.04 118.16 117.46 2kg2 n LYS 95 Ca 0.12 -0.79 0.00 0.00 -2.02 0.00 0.00 58.31 55.61 2kg2 n LYS 95 Cb 0.30 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2kg2 n LYS 95 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2kg2 n ARG 96 N 0.28 0.00 -0.02 1.97 3.00 -0.15 -4.66 116.66 117.09 2kg2 n ARG 96 Ca 0.16 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 58.09 2kg2 n ARG 96 Cb 0.74 -0.28 -0.15 0.00 0.00 0.00 0.00 32.46 32.76 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 -1.83 0.00 -0.33 6.15 -0.00 0.20 -4.25 117.00 116.94 2kg2 n LEU 97 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 2kg2 n LEU 97 Cb 0.00 0.04 0.13 0.00 -0.00 0.00 0.00 43.42 43.59 2kg2 n LEU 97 CO 0.00 0.04 0.59 1.07 -0.00 0.00 0.00 177.39 179.09 2kg2 n THR 98 N -2.24 1.56 -0.97 1.47 5.66 -0.20 -4.32 114.28 115.25 2kg2 n THR 98 Ca -0.06 -1.60 -0.32 0.00 -3.05 0.00 0.00 64.05 59.02 2kg2 n THR 98 Cb 0.58 0.10 0.14 0.00 -1.55 0.00 0.00 70.33 69.59 2kg2 n THR 98 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2kg2 s LYS 99 N -2.00 1.50 0.00 1.09 -2.85 -1.14 -4.82 119.74 111.52 2kg2 s LYS 99 Ca 0.24 1.53 0.07 0.00 -1.00 0.00 0.00 55.97 56.80 2kg2 s LYS 99 Cb 0.19 -1.78 0.14 0.00 -2.06 0.00 0.00 37.83 34.32 2kg2 s LYS 99 CO 0.06 -2.27 1.00 2.89 0.10 0.00 0.00 175.35 177.12 2kg2 n ARG 100 N -3.76 1.83 0.10 1.78 1.85 -1.26 -4.46 116.66 112.73 2kg2 n ARG 100 Ca 0.12 -1.51 -0.14 0.00 -1.00 0.00 0.00 57.85 55.32 2kg2 n ARG 100 Cb 0.52 -1.16 -0.12 0.00 -1.05 0.00 0.00 32.46 30.65 2kg2 n ARG 100 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2kg2 h SER 101 N 1.34 0.38 -3.03 2.89 0.02 -1.93 -3.44 113.55 109.78 2kg2 h SER 101 Ca 0.00 -0.39 -0.66 0.00 -0.84 0.00 0.00 61.79 59.90 2kg2 h SER 101 Cb 0.52 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 62.84 2kg2 h SER 101 CO 0.00 1.29 -0.56 -0.70 -1.14 0.00 0.00 176.83 175.72 2kg2 s GLU 102 N -2.75 3.15 -0.24 3.45 2.56 -1.26 -5.02 118.70 118.59 2kg2 s GLU 102 Ca -0.04 -0.41 -0.15 0.00 0.00 0.00 0.00 54.97 54.37 2kg2 s GLU 102 Cb 0.08 -2.92 -0.10 0.00 2.00 0.00 0.00 34.13 33.19 2kg2 s GLU 102 CO 0.87 0.67 -0.35 -0.85 -0.56 0.00 0.00 175.26 175.05 2kg2 n GLU 103 N 1.37 0.55 -5.00 4.30 0.28 -1.26 -4.93 120.64 115.96 2kg2 n GLU 103 Ca -0.14 0.24 -0.31 0.00 -0.16 0.00 0.00 57.16 56.78 2kg2 n GLU 103 Cb 0.53 -1.44 -0.17 0.00 1.43 0.00 0.00 31.44 31.79 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 -2.63 1.95 0.06 3.84 0.11 -1.25 -0.45 120.40 122.03 2kg2 s VAL 104 Ca -0.35 -0.94 0.07 0.00 -2.93 0.00 0.00 61.98 57.83 2kg2 s VAL 104 Cb 0.11 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.23 2kg2 s VAL 104 CO 0.46 0.53 -0.18 0.68 -3.33 0.00 0.00 175.10 173.26 2kg2 s VAL 105 N 0.51 1.45 -0.34 2.04 -7.23 -1.02 -4.98 120.40 110.84 2kg2 s VAL 105 Ca -0.15 -1.23 -0.13 0.00 -1.81 0.00 0.00 61.98 58.66 2kg2 s VAL 105 Cb -0.17 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 2kg2 s VAL 105 CO 0.05 0.04 0.23 -0.13 -0.31 0.00 0.00 175.10 174.99 2kg2 s ARG 106 N -1.39 3.46 0.27 4.82 0.52 -1.26 -2.56 118.95 122.81 2kg2 s ARG 106 Ca 0.04 -0.66 0.10 0.00 -0.52 0.00 0.00 55.73 54.69 2kg2 s ARG 106 Cb -0.09 -3.79 -0.04 0.00 0.52 0.00 0.00 34.95 31.55 2kg2 s ARG 106 CO 0.02 -0.45 -0.05 -0.51 0.02 0.00 0.00 175.30 174.33 2kg2 s LEU 107 N 1.71 3.06 -0.05 2.53 1.43 0.90 0.24 118.68 128.51 2kg2 s LEU 107 Ca 0.06 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2kg2 s LEU 107 Cb -0.17 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.49 2kg2 s LEU 107 CO 0.10 0.01 0.02 -0.76 0.23 0.00 0.00 176.35 175.95 2kg2 s LEU 108 N -3.63 0.67 0.26 1.79 1.02 0.61 0.05 118.68 119.45 2kg2 s LEU 108 Ca 0.31 -0.02 0.11 0.00 0.02 0.00 0.00 54.13 54.55 2kg2 s LEU 108 Cb -0.06 -0.28 -0.05 0.00 0.02 0.00 0.00 46.19 45.82 2kg2 s LEU 108 CO 0.19 -0.17 -0.19 0.68 0.02 0.00 0.00 176.35 176.87 2kg2 s VAL 109 N 1.68 2.29 -0.08 -1.59 -7.23 0.11 -1.10 120.40 114.48 2kg2 s VAL 109 Ca -0.00 -2.34 0.01 0.00 -1.81 0.00 0.00 61.98 57.84 2kg2 s VAL 109 Cb -0.13 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 2kg2 s VAL 109 CO -0.03 -0.43 -0.11 0.42 -0.31 0.00 0.00 175.10 174.63 2kg2 s THR 110 N -2.57 3.30 -0.81 5.32 -4.23 -0.53 -0.70 115.64 115.42 2kg2 s THR 110 Ca 0.28 -0.61 -0.26 0.00 -1.18 0.00 0.00 61.69 59.92 2kg2 s THR 110 Cb -0.04 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.49 2kg2 s THR 110 CO 0.13 0.57 1.31 -0.13 -0.54 0.00 0.00 174.62 175.95 2kg2 s ARG 111 N -0.38 3.29 0.04 3.99 1.81 0.17 -3.85 118.95 124.02 2kg2 s ARG 111 Ca 0.05 -0.52 0.23 0.00 -1.72 0.00 0.00 55.73 53.77 2kg2 s ARG 111 Cb -0.12 -4.50 0.06 0.00 -0.45 0.00 0.00 34.95 29.94 2kg2 s ARG 111 CO 0.02 -2.14 1.05 1.04 -0.68 0.00 0.00 175.30 174.59 2kg2 n GLN 112 N 9.13 0.23 -0.31 3.54 1.13 -1.26 -3.50 117.38 126.33 2kg2 n GLN 112 Ca 0.11 -0.01 -0.00 0.00 -1.94 0.00 0.00 57.00 55.16 2kg2 n GLN 112 Cb 0.49 -1.57 0.11 0.00 0.11 0.00 0.00 30.24 29.38 2kg2 n GLN 112 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2kg2 n SER 113 N -1.86 2.71 -3.42 1.08 3.41 -1.26 -4.33 113.62 109.95 2kg2 n SER 113 Ca 0.02 -2.35 -0.27 0.00 -0.26 0.00 0.00 58.87 56.01 2kg2 n SER 113 Cb 0.41 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 2kg2 n SER 113 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kg2 s LEU 114 N -0.92 1.43 0.00 1.04 2.96 -1.25 -4.82 118.68 117.11 2kg2 s LEU 114 Ca 0.18 -2.95 0.00 0.00 -0.22 0.00 0.00 54.13 51.14 2kg2 s LEU 114 Cb 0.14 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.37 2kg2 s LEU 114 CO 0.05 -0.19 0.00 0.00 -1.32 0.00 0.00 176.35 174.89 2kg2 n GLN 115 N 3.01 0.00 -0.10 1.98 10.64 -1.26 -3.69 117.38 127.97 2kg2 n GLN 115 Ca 0.27 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.45 2kg2 n GLN 115 Cb 0.46 -0.29 -0.00 0.00 -0.86 0.00 0.00 30.24 29.55 2kg2 n GLN 115 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2kg2 n LYS 116 N -1.50 -0.20 -4.60 2.61 5.02 -1.26 -5.02 118.16 113.21 2kg2 n LYS 116 Ca 0.00 0.13 -0.28 0.00 -2.02 0.00 0.00 58.31 56.14 2kg2 n LYS 116 Cb 0.00 -0.24 -0.09 0.00 -0.02 0.00 0.00 35.03 34.68 2kg2 n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kg2 s ALA 117 N -1.09 3.25 -0.40 7.82 0.00 -1.26 -5.09 121.76 124.98 2kg2 s ALA 117 Ca 0.00 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 50.75 2kg2 s ALA 117 Cb 0.00 0.40 0.23 0.00 0.00 0.00 0.00 23.12 23.75 2kg2 s ALA 117 CO 0.00 -0.19 0.47 0.28 0.00 0.00 0.00 175.76 176.32 2kg2 n VAL 118 N -0.99 -0.79 -2.54 0.00 0.31 -1.26 -5.04 118.33 108.02 2kg2 n VAL 118 Ca -0.09 -3.86 -0.40 0.00 -0.01 0.00 0.00 64.34 59.97 2kg2 n VAL 118 Cb 0.66 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.69 2kg2 n VAL 118 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kg2 s GLN 119 N -0.84 3.57 0.51 5.55 -2.07 -1.26 -4.79 119.66 120.34 2kg2 s GLN 119 Ca 0.34 -1.16 0.33 0.00 -1.82 0.00 0.00 55.36 53.06 2kg2 s GLN 119 Cb 0.13 -5.36 1.43 0.00 -1.09 0.00 0.00 33.01 28.12 2kg2 s GLN 119 CO -0.14 -2.28 1.98 -0.56 -1.32 0.00 0.00 175.29 172.97 2kg2 h GLN 120 N 9.67 0.00 0.44 9.60 -0.00 -2.05 -3.08 115.11 129.69 2kg2 h GLN 120 Ca 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.85 2kg2 h GLN 120 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.48 2kg2 h GLN 120 CO 1.42 0.00 -0.21 0.77 -0.00 0.00 0.00 178.83 180.81 2kg2 h SER 121 N 0.00 -0.50 0.00 0.06 0.02 -2.02 -3.46 113.55 107.66 2kg2 h SER 121 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2kg2 h SER 121 Cb 0.41 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2kg2 h SER 121 CO 0.00 -0.08 0.00 0.80 -1.14 0.00 0.00 176.83 176.41 2kg2 n MET 122 N -5.19 0.00 -0.05 3.45 0.00 -1.17 -4.66 117.12 109.51 2kg2 n MET 122 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.73 2kg2 n MET 122 Cb 0.28 -2.78 0.24 0.00 0.00 0.00 0.00 33.22 30.96 2kg2 n MET 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kg2 n LEU 123 N 0.00 2.68 0.00 -0.89 4.77 -1.26 -5.20 117.00 117.10 2kg2 n LEU 123 Ca 0.00 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2kg2 n LEU 123 Cb 0.00 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2kg2 n LEU 123 CO 0.00 0.49 0.00 -0.24 -1.33 0.00 0.00 177.39 176.31