#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg2 s SER 2 N 0.00 4.10 -0.16 1.61 0.01 -1.26 -5.09 113.70 112.91 2kg2 s SER 2 Ca 0.00 -1.64 0.01 0.00 1.31 0.00 0.00 55.95 55.63 2kg2 s SER 2 Cb 0.00 -1.06 0.02 0.00 0.21 0.00 0.00 66.02 65.19 2kg2 s SER 2 CO 0.00 -0.38 -0.18 -0.47 0.41 0.00 0.00 173.24 172.62 2kg2 s TYR 3 N 1.45 2.55 -0.33 2.43 5.04 -1.26 -5.09 117.35 122.13 2kg2 s TYR 3 Ca 0.07 -1.44 -0.07 0.00 -2.44 0.00 0.00 57.07 53.19 2kg2 s TYR 3 Cb -0.18 -1.78 0.03 0.00 0.35 0.00 0.00 41.96 40.37 2kg2 s TYR 3 CO -0.18 -0.72 0.12 -1.50 -1.34 0.00 0.00 175.55 171.93 2kg2 s ILE 4 N 1.24 4.00 0.81 3.14 2.07 -1.26 -5.09 121.20 126.11 2kg2 s ILE 4 Ca 0.02 -0.94 -0.11 0.00 -1.41 0.00 0.00 60.65 58.21 2kg2 s ILE 4 Cb -0.13 -3.19 0.08 0.00 0.13 0.00 0.00 42.46 39.34 2kg2 s ILE 4 CO -0.10 -0.11 1.10 -2.16 -1.91 0.00 0.00 174.94 171.76 2kg2 s PRO 5 N 1.46 1.98 -0.84 3.50 0.04 -1.26 -4.97 135.00 134.92 2kg2 s PRO 5 Ca 0.00 0.68 -0.02 0.00 0.04 0.00 0.00 61.00 61.71 2kg2 s PRO 5 Cb -0.19 -1.90 0.35 0.00 0.04 0.00 0.00 34.50 32.80 2kg2 s PRO 5 CO 0.03 -1.70 1.96 0.41 0.04 0.00 0.00 177.00 177.74 2kg2 n GLY 6 N -1.94 5.59 3.68 0.56 0.00 -1.26 -5.00 105.19 106.82 2kg2 n GLY 6 Ca 0.07 -2.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.16 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 -4.06 4.23 0.00 1.61 0.74 -1.26 -4.99 119.66 115.92 2kg2 s GLN 7 Ca 0.51 2.14 0.00 0.00 0.05 0.00 0.00 55.36 58.06 2kg2 s GLN 7 Cb 0.42 -3.69 0.00 0.00 1.10 0.00 0.00 33.01 30.85 2kg2 s GLN 7 CO -0.39 -0.70 0.00 -0.35 -0.55 0.00 0.00 175.29 173.30 2kg2 n PRO 8 N 5.90 0.00 0.00 1.67 -0.04 -1.26 -5.07 135.00 136.20 2kg2 n PRO 8 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2kg2 n PRO 8 Cb 0.42 0.00 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 0.64 0.52 0.24 -1.26 -4.82 118.33 113.65 2kg2 n VAL 9 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 2kg2 n VAL 9 Cb 0.00 0.00 0.46 0.00 -1.47 0.00 0.00 33.84 32.83 2kg2 n VAL 9 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2kg2 n THR 10 N -1.38 0.57 -4.24 3.34 5.66 -1.26 -4.76 114.28 112.20 2kg2 n THR 10 Ca 0.00 -0.02 -0.19 0.00 -3.05 0.00 0.00 64.05 60.79 2kg2 n THR 10 Cb 0.00 -0.76 -0.12 0.00 -1.55 0.00 0.00 70.33 67.90 2kg2 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kg2 s ALA 11 N -3.11 1.16 -0.01 1.79 0.00 -1.26 -3.08 121.76 117.24 2kg2 s ALA 11 Ca 0.09 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.18 2kg2 s ALA 11 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2kg2 s ALA 11 CO 0.49 0.18 -0.17 0.08 0.00 0.00 0.00 175.76 176.34 2kg2 s VAL 12 N -1.10 1.36 -0.10 0.00 1.01 -0.48 -4.30 120.40 116.78 2kg2 s VAL 12 Ca -0.01 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 2kg2 s VAL 12 Cb -0.09 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 2kg2 s VAL 12 CO 0.02 0.38 0.25 -0.69 0.00 0.00 0.00 175.10 175.06 2kg2 s VAL 13 N -0.38 5.32 0.03 2.92 1.01 -1.26 0.32 120.40 128.35 2kg2 s VAL 13 Ca 0.06 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.52 2kg2 s VAL 13 Cb -0.07 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2kg2 s VAL 13 CO -0.01 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 175.59 2kg2 s GLN 14 N -0.60 0.43 0.22 2.72 1.03 0.69 -4.97 119.66 119.18 2kg2 s GLN 14 Ca 0.17 -0.74 -0.01 0.00 0.04 0.00 0.00 55.36 54.83 2kg2 s GLN 14 Cb -0.13 -0.03 -0.04 0.00 0.03 0.00 0.00 33.01 32.83 2kg2 s GLN 14 CO 0.06 -0.02 0.42 -0.98 -2.54 0.00 0.00 175.29 172.23 2kg2 s ARG 15 N -1.79 3.53 0.09 9.60 1.04 -1.26 -0.34 118.95 129.82 2kg2 s ARG 15 Ca -0.11 -0.31 0.03 0.00 -1.04 0.00 0.00 55.73 54.30 2kg2 s ARG 15 Cb -0.08 -2.81 -0.03 0.00 -2.04 0.00 0.00 34.95 29.99 2kg2 s ARG 15 CO -0.01 0.36 -0.10 0.08 -0.04 0.00 0.00 175.30 175.59 2kg2 s VAL 16 N -1.93 0.85 -0.26 4.99 1.01 0.17 -4.84 120.40 120.40 2kg2 s VAL 16 Ca 0.39 -1.55 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 2kg2 s VAL 16 Cb -0.11 -1.24 0.14 0.00 0.00 0.00 0.00 36.38 35.17 2kg2 s VAL 16 CO 0.30 -0.54 0.36 -0.70 0.00 0.00 0.00 175.10 174.52 2kg2 s GLU 17 N -2.61 0.35 -0.14 2.72 2.12 -1.26 -0.30 118.70 119.58 2kg2 s GLU 17 Ca 0.03 0.29 -0.19 0.00 0.36 0.00 0.00 54.97 55.46 2kg2 s GLU 17 Cb -0.04 -0.50 -0.04 0.00 0.26 0.00 0.00 34.13 33.81 2kg2 s GLU 17 CO -0.00 -0.82 0.53 0.42 -0.54 0.00 0.00 175.26 174.85 2kg2 s ILE 18 N 2.50 5.13 -0.11 -3.70 1.09 -1.10 -4.68 121.20 120.34 2kg2 s ILE 18 Ca 0.11 1.03 -0.13 0.00 -1.10 0.00 0.00 60.65 60.56 2kg2 s ILE 18 Cb -0.14 -3.86 -0.05 0.00 -1.06 0.00 0.00 42.46 37.35 2kg2 s ILE 18 CO -0.22 0.25 0.29 -1.00 -0.10 0.00 0.00 174.94 174.16 2kg2 s HIS 19 N 1.08 3.55 -0.19 3.97 3.76 -1.26 -2.70 115.29 123.50 2kg2 s HIS 19 Ca 0.27 0.68 -0.21 0.00 -0.15 0.00 0.00 55.06 55.64 2kg2 s HIS 19 Cb -0.16 -2.25 -0.09 0.00 1.11 0.00 0.00 32.58 31.19 2kg2 s HIS 19 CO 0.11 0.43 0.70 0.36 -0.85 0.00 0.00 174.74 175.50 2kg2 n LYS 20 N 2.84 0.00 -4.72 1.40 2.85 -0.57 -4.69 118.16 115.27 2kg2 n LYS 20 Ca -0.14 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.80 2kg2 n LYS 20 Cb 0.53 -0.70 -0.17 0.00 -0.65 0.00 0.00 35.03 34.04 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 1.15 2.05 -0.17 -5.58 2.96 -1.00 -5.02 118.68 113.06 2kg2 s LEU 21 Ca 0.48 -0.57 -0.19 0.00 -0.22 0.00 0.00 54.13 53.63 2kg2 s LEU 21 Cb -0.68 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2kg2 s LEU 21 CO 0.36 0.08 0.53 -0.13 -1.32 0.00 0.00 176.35 175.88 2kg2 s ARG 22 N 0.77 4.24 -0.26 1.98 0.52 -1.26 0.33 118.95 125.27 2kg2 s ARG 22 Ca -0.09 0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 55.59 2kg2 s ARG 22 Cb -0.16 -3.53 0.08 0.00 0.52 0.00 0.00 34.95 31.86 2kg2 s ARG 22 CO -0.00 -0.08 0.04 -0.65 0.02 0.00 0.00 175.30 174.63 2kg2 s GLN 23 N 1.38 0.98 7.16 3.54 -0.21 -0.18 -4.93 119.66 127.41 2kg2 s GLN 23 Ca 0.26 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 54.73 2kg2 s GLN 23 Cb -0.15 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.60 2kg2 s GLN 23 CO 0.10 -0.78 0.00 0.41 -2.12 0.00 0.00 175.29 172.90 2kg2 n GLY 24 N 4.83 2.60 0.71 3.09 0.00 -1.26 -1.43 105.19 113.73 2kg2 n GLY 24 Ca -0.06 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 7.61 1.90 -4.35 1.61 1.02 -1.26 -4.95 120.64 122.22 2kg2 n GLU 25 Ca 0.00 -1.43 -0.28 0.00 -0.02 0.00 0.00 57.16 55.43 2kg2 n GLU 25 Cb 0.00 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 29.89 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 -2.08 4.30 -0.20 1.62 0.01 -0.51 -5.10 114.94 112.98 2kg2 s ASN 26 Ca 0.30 -1.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.10 2kg2 s ASN 26 Cb 0.20 0.08 0.05 0.00 0.41 0.00 0.00 41.25 41.99 2kg2 s ASN 26 CO 0.35 -0.77 -0.07 -0.22 -1.51 0.00 0.00 177.10 174.89 2kg2 s LEU 27 N -3.96 2.15 0.27 0.60 1.98 -1.26 -1.01 118.68 117.46 2kg2 s LEU 27 Ca 0.27 -0.92 0.07 0.00 -2.89 0.00 0.00 54.13 50.65 2kg2 s LEU 27 Cb 0.02 -1.10 -0.06 0.00 0.66 0.00 0.00 46.19 45.72 2kg2 s LEU 27 CO 0.15 -0.19 -0.07 -0.63 -1.89 0.00 0.00 176.35 173.72 2kg2 s ILE 28 N 1.48 1.67 -2.09 6.68 1.01 0.15 -3.94 121.20 126.16 2kg2 s ILE 28 Ca -0.02 -2.14 0.16 0.00 0.00 0.00 0.00 60.65 58.65 2kg2 s ILE 28 Cb -0.17 -2.41 0.41 0.00 0.01 0.00 0.00 42.46 40.30 2kg2 s ILE 28 CO -0.07 -0.33 1.38 0.18 0.00 0.00 0.00 174.94 176.09 2kg2 n LEU 29 N -0.56 2.30 0.00 2.97 4.77 -1.26 -2.38 117.00 122.84 2kg2 n LEU 29 Ca -0.06 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 2kg2 n LEU 29 Cb 0.63 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2kg2 n LEU 29 CO 0.39 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2kg2 n GLY 30 N 1.21 2.32 3.98 -0.72 0.00 -1.26 -3.93 105.19 106.79 2kg2 n GLY 30 Ca 0.15 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2kg2 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kg2 s PHE 31 N -0.18 2.46 0.23 1.61 -0.71 -1.26 -2.91 117.98 117.21 2kg2 s PHE 31 Ca 0.00 -0.12 0.00 0.00 -1.04 0.00 0.00 56.93 55.77 2kg2 s PHE 31 Cb 0.00 -2.78 -0.05 0.00 -1.21 0.00 0.00 43.02 38.98 2kg2 s PHE 31 CO 0.00 -1.09 0.10 -1.12 -1.34 0.00 0.00 175.22 171.76 2kg2 s SER 32 N -4.52 0.83 0.39 1.98 0.01 0.23 -4.83 113.70 107.79 2kg2 s SER 32 Ca 0.60 -1.36 0.04 0.00 1.31 0.00 0.00 55.95 56.54 2kg2 s SER 32 Cb -0.09 0.23 -0.05 0.00 0.21 0.00 0.00 66.02 66.32 2kg2 s SER 32 CO 0.40 -0.75 0.05 0.27 0.41 0.00 0.00 173.24 173.61 2kg2 s ILE 33 N -3.89 1.33 -0.11 1.44 -4.36 -1.26 -1.26 121.20 113.09 2kg2 s ILE 33 Ca 0.36 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.78 2kg2 s ILE 33 Cb 0.07 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 2kg2 s ILE 33 CO 0.12 0.00 0.11 0.61 0.24 0.00 0.00 174.94 176.02 2kg2 n GLY 34 N -0.89 0.51 0.00 6.27 0.00 0.83 -4.44 105.19 107.47 2kg2 n GLY 34 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 1.37 2.14 0.00 -0.02 0.00 -1.26 -4.90 105.19 102.52 2kg2 n GLY 35 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.18 1.98 0.23 -0.02 0.00 -1.26 -3.17 105.19 102.78 2kg2 n GLY 36 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 1.07 0.00 -0.61 -2.65 -1.86 -1.59 117.51 111.86 2kg2 h ILE 37 Ca 0.00 -0.67 0.00 0.00 1.03 0.00 0.00 64.86 65.22 2kg2 h ILE 37 Cb 0.00 1.37 0.00 0.00 -2.05 0.00 0.00 36.82 36.14 2kg2 h ILE 37 CO 0.00 0.19 0.00 -0.78 0.03 0.00 0.00 178.15 177.59 2kg2 h ASP 38 N 0.00 0.00 -2.70 2.16 3.58 -1.94 -3.42 116.42 114.11 2kg2 h ASP 38 Ca -0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2kg2 h ASP 38 Cb 0.35 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 2kg2 h ASP 38 CO 0.02 0.00 -0.50 -1.10 -2.88 0.00 0.00 179.24 174.79 2kg2 s GLN 39 N -3.67 3.32 -0.34 0.28 -1.52 -0.60 -5.04 119.66 112.09 2kg2 s GLN 39 Ca 0.00 -0.61 -0.13 0.00 -1.95 0.00 0.00 55.36 52.67 2kg2 s GLN 39 Cb 0.10 -2.92 -0.02 0.00 -0.22 0.00 0.00 33.01 29.95 2kg2 s GLN 39 CO 0.42 0.54 0.24 0.34 -0.25 0.00 0.00 175.29 176.58 2kg2 s ASP 40 N -3.00 6.06 0.54 5.90 -1.08 -1.26 -4.89 116.67 118.93 2kg2 s ASP 40 Ca 0.34 -0.39 0.31 0.00 -0.52 0.00 0.00 52.55 52.29 2kg2 s ASP 40 Cb -0.11 -2.14 1.48 0.00 -1.46 0.00 0.00 42.92 40.68 2kg2 s ASP 40 CO 0.27 -0.22 1.90 1.55 0.52 0.00 0.00 175.17 179.19 2kg2 h PRO 41 N 8.48 0.00 0.00 4.34 0.13 -1.90 0.19 132.00 143.25 2kg2 h PRO 41 Ca -0.32 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 2kg2 h PRO 41 Cb 1.16 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2kg2 h PRO 41 CO 0.63 0.00 -0.18 1.03 -0.23 0.00 0.00 178.00 179.24 2kg2 h SER 42 N 0.00 0.00 0.00 1.44 0.87 -1.93 -2.76 113.55 111.17 2kg2 h SER 42 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2kg2 h SER 42 Cb 1.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2kg2 h SER 42 CO -0.00 0.18 -0.03 0.00 -0.53 0.00 0.00 176.83 176.45 2kg2 n GLN 43 N -3.74 1.84 -3.42 2.24 10.64 0.59 -4.99 117.38 120.54 2kg2 n GLN 43 Ca -0.02 -1.99 -0.28 0.00 -1.83 0.00 0.00 57.00 52.89 2kg2 n GLN 43 Cb 0.30 -1.21 -0.03 0.00 -0.86 0.00 0.00 30.24 28.44 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 -1.93 6.41 -0.07 2.61 0.01 -0.61 -4.93 114.94 116.44 2kg2 s ASN 44 Ca 0.16 0.61 -0.17 0.00 -0.71 0.00 0.00 52.86 52.76 2kg2 s ASN 44 Cb 0.14 -2.10 -0.13 0.00 0.41 0.00 0.00 41.25 39.58 2kg2 s ASN 44 CO 0.02 -0.18 0.68 1.55 -1.51 0.00 0.00 177.10 177.65 2kg2 h PRO 45 N 1.63 -0.21 -0.64 -0.60 0.13 -1.92 -3.29 132.00 127.11 2kg2 h PRO 45 Ca -0.48 0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.38 2kg2 h PRO 45 Cb 1.19 0.05 -0.17 0.00 0.13 0.00 0.00 31.00 32.20 2kg2 h PRO 45 CO 0.66 0.16 0.25 1.19 -0.23 0.00 0.00 178.00 180.03 2kg2 n PHE 46 N -4.91 2.03 -2.03 1.56 3.72 -1.26 -3.84 117.46 112.73 2kg2 n PHE 46 Ca -0.06 -1.53 0.01 0.00 -0.05 0.00 0.00 57.45 55.81 2kg2 n PHE 46 Cb 0.23 -0.67 0.01 0.00 -0.94 0.00 0.00 39.48 38.12 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 -0.87 0.30 0.04 4.37 2.88 -1.26 -4.83 113.62 114.25 2kg2 n SER 47 Ca 0.43 -2.08 -0.01 0.00 -1.33 0.00 0.00 58.87 55.88 2kg2 n SER 47 Cb 1.31 -0.23 -0.08 0.00 -0.75 0.00 0.00 64.21 64.46 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 0.17 0.00 0.00 -1.46 4.11 -1.66 -3.36 114.58 112.38 2kg2 h GLU 48 Ca -0.04 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.21 2kg2 h GLU 48 Cb 1.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 2kg2 h GLU 48 CO 0.02 0.34 -0.89 0.38 0.07 0.00 0.00 179.01 178.92 2kg2 h ASP 49 N 0.00 0.01 -5.11 3.06 2.03 -1.88 -3.46 116.42 111.07 2kg2 h ASP 49 Ca -0.15 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 56.10 2kg2 h ASP 49 Cb 1.60 -0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.99 2kg2 h ASP 49 CO 0.05 0.90 -0.03 -1.59 -1.03 0.00 0.00 179.24 177.54 2kg2 s LYS 50 N -2.98 1.30 -0.02 4.15 -2.85 -1.26 -5.01 119.74 113.08 2kg2 s LYS 50 Ca 0.00 -0.88 0.01 0.00 -1.00 0.00 0.00 55.97 54.11 2kg2 s LYS 50 Cb 0.11 0.49 0.06 0.00 -2.06 0.00 0.00 37.83 36.43 2kg2 s LYS 50 CO 0.80 -0.54 0.59 0.25 0.10 0.00 0.00 175.35 176.56 2kg2 n THR 51 N -0.31 0.19 -2.47 3.79 -2.24 -1.26 -4.68 114.28 107.29 2kg2 n THR 51 Ca -0.11 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 2kg2 n THR 51 Cb 0.63 -0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.06 6.49 0.91 3.42 2.15 -1.26 -4.89 116.67 123.43 2kg2 s ASP 52 Ca 0.04 0.65 0.00 0.00 0.43 0.00 0.00 52.55 53.67 2kg2 s ASP 52 Cb 0.03 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2kg2 s ASP 52 CO 0.01 -1.34 0.00 0.29 -0.17 0.00 0.00 175.17 173.96 2kg2 n LYS 53 N 7.96 -0.02 0.00 4.34 4.76 -1.26 -4.78 118.16 129.15 2kg2 n LYS 53 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 2kg2 n LYS 53 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 2kg2 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kg2 n GLY 54 N 4.70 3.08 3.71 0.72 0.00 -1.26 -4.93 105.19 111.22 2kg2 n GLY 54 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.09 2.22 0.10 -0.61 -1.09 -1.22 -4.10 121.20 115.42 2kg2 s ILE 55 Ca 0.00 0.07 0.06 0.00 -2.23 0.00 0.00 60.65 58.56 2kg2 s ILE 55 Cb 0.00 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 2kg2 s ILE 55 CO 0.00 0.00 -0.16 -0.72 -1.23 0.00 0.00 174.94 172.83 2kg2 s TYR 56 N 1.55 1.48 0.11 3.97 -0.85 -1.19 -1.39 117.35 121.03 2kg2 s TYR 56 Ca 0.76 -0.48 -0.30 0.00 -0.52 0.00 0.00 57.07 56.53 2kg2 s TYR 56 Cb -0.48 -0.80 -0.06 0.00 0.38 0.00 0.00 41.96 41.00 2kg2 s TYR 56 CO 0.33 0.15 0.99 0.08 -1.52 0.00 0.00 175.55 175.57 2kg2 s VAL 57 N -1.57 4.43 -0.03 -3.49 1.01 -1.04 -0.12 120.40 119.59 2kg2 s VAL 57 Ca 0.05 1.99 0.10 0.00 0.00 0.00 0.00 61.98 64.12 2kg2 s VAL 57 Cb -0.08 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 31.88 2kg2 s VAL 57 CO 0.03 0.29 0.18 0.35 0.00 0.00 0.00 175.10 175.96 2kg2 n THR 58 N 2.87 0.12 -3.74 3.92 -2.24 -0.39 -1.03 114.28 113.79 2kg2 n THR 58 Ca 0.03 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 2kg2 n THR 58 Cb 0.49 0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.60 0.33 0.45 -0.78 0.52 -1.18 -4.89 118.95 110.80 2kg2 s ARG 59 Ca -0.04 0.53 0.05 0.00 -0.52 0.00 0.00 55.73 55.75 2kg2 s ARG 59 Cb 0.06 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.55 2kg2 s ARG 59 CO 0.41 -0.10 0.08 0.14 0.02 0.00 0.00 175.30 175.85 2kg2 s VAL 60 N 0.67 1.80 0.00 3.52 -7.23 -1.26 0.76 120.40 118.67 2kg2 s VAL 60 Ca -0.04 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 2kg2 s VAL 60 Cb -0.05 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 2kg2 s VAL 60 CO -0.04 0.00 1.32 -0.44 -0.31 0.00 0.00 175.10 175.63 2kg2 s SER 61 N -3.86 6.93 0.47 4.85 0.01 -1.15 -4.80 113.70 116.16 2kg2 s SER 61 Ca 0.28 2.05 0.29 0.00 1.31 0.00 0.00 55.95 59.88 2kg2 s SER 61 Cb 0.05 -2.56 1.03 0.00 0.21 0.00 0.00 66.02 64.75 2kg2 s SER 61 CO 0.15 -0.65 1.85 1.05 0.41 0.00 0.00 173.24 176.05 2kg2 h GLU 62 N 7.52 0.00 -0.47 12.44 4.11 -1.98 -3.20 114.58 132.99 2kg2 h GLU 62 Ca -0.38 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.79 2kg2 h GLU 62 Cb 1.18 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.10 2kg2 h GLU 62 CO 0.88 0.00 -0.92 0.41 0.07 0.00 0.00 179.01 179.45 2kg2 n GLY 63 N 0.37 1.71 0.29 1.06 0.00 -1.26 -4.98 105.19 102.38 2kg2 n GLY 63 Ca 0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.61 4.05 0.24 -0.02 0.00 -1.21 -5.04 105.19 102.60 2kg2 n GLY 64 Ca 0.02 -1.97 0.03 0.00 0.00 0.00 0.00 46.02 44.10 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 0.19 0.39 1.61 0.13 -1.83 -2.23 132.00 130.26 2kg2 h PRO 65 Ca -0.03 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2kg2 h PRO 65 Cb 0.10 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 2kg2 h PRO 65 CO 0.05 0.32 -0.33 0.00 -0.23 0.00 0.00 178.00 177.81 2kg2 h ALA 66 N 1.70 -1.06 0.00 -0.56 0.00 -1.85 0.14 119.26 117.63 2kg2 h ALA 66 Ca 0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2kg2 h ALA 66 Cb 0.34 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2kg2 h ALA 66 CO 0.02 -1.06 -0.35 1.05 0.00 0.00 0.00 179.25 178.91 2kg2 h GLU 67 N -0.70 0.00 -0.02 0.00 -0.00 -1.58 0.31 114.58 112.59 2kg2 h GLU 67 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.31 2kg2 h GLU 67 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.34 2kg2 h GLU 67 CO -0.01 0.35 0.01 0.82 -0.00 0.00 0.00 179.01 180.18 2kg2 h ILE 68 N 0.00 1.17 0.14 -1.06 1.08 -1.24 -3.31 117.51 114.29 2kg2 h ILE 68 Ca -0.00 -0.50 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 2kg2 h ILE 68 Cb 0.70 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 2kg2 h ILE 68 CO 0.05 0.13 -0.07 0.00 -0.69 0.00 0.00 178.15 177.57 2kg2 h ALA 69 N 0.80 -0.18 0.00 1.87 0.00 -0.46 -3.47 119.26 117.82 2kg2 h ALA 69 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kg2 h ALA 69 Cb 0.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kg2 h ALA 69 CO -0.00 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.24 2kg2 n GLY 70 N -0.16 0.00 3.50 0.00 0.00 -0.50 -4.81 105.19 103.22 2kg2 n GLY 70 Ca -0.09 0.00 -0.43 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 4.48 -0.12 0.99 2.96 0.97 -4.96 118.68 123.00 2kg2 s LEU 71 Ca 0.00 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2kg2 s LEU 71 Cb 0.00 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 44.00 2kg2 s LEU 71 CO 0.00 -1.00 -0.16 -1.10 -1.32 0.00 0.00 176.35 172.78 2kg2 s GLN 72 N 3.22 2.32 -0.31 1.98 -1.52 -1.26 -3.61 119.66 120.49 2kg2 s GLN 72 Ca 0.24 -0.59 -0.36 0.00 -1.95 0.00 0.00 55.36 52.69 2kg2 s GLN 72 Cb -0.15 -2.00 -0.16 0.00 -0.22 0.00 0.00 33.01 30.48 2kg2 s GLN 72 CO 0.17 -0.10 1.18 -0.89 -0.25 0.00 0.00 175.29 175.41 2kg2 n ILE 73 N 4.32 0.00 0.00 1.08 5.41 -1.26 -2.63 119.36 126.28 2kg2 n ILE 73 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2kg2 n ILE 73 Cb 0.51 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 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 2.75 1.15 3.79 7.39 0.00 -0.20 -5.00 105.19 115.07 2kg2 n GLY 74 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 2kg2 n GLY 74 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kg2 s ASP 75 N -2.00 7.16 -0.41 1.61 -4.77 -1.08 -4.86 116.67 112.33 2kg2 s ASP 75 Ca 0.00 1.38 -0.11 0.00 -3.30 0.00 0.00 52.55 50.52 2kg2 s ASP 75 Cb 0.00 -2.41 0.05 0.00 -1.09 0.00 0.00 42.92 39.47 2kg2 s ASP 75 CO 0.00 0.22 0.26 -0.54 0.70 0.00 0.00 175.17 175.80 2kg2 s LYS 76 N -0.93 2.77 0.33 2.11 1.02 -1.04 -2.50 119.74 121.50 2kg2 s LYS 76 Ca 0.32 -1.26 -0.27 0.00 0.02 0.00 0.00 55.97 54.78 2kg2 s LYS 76 Cb -0.21 -3.82 -0.09 0.00 -0.52 0.00 0.00 37.83 33.20 2kg2 s LYS 76 CO 0.21 -0.85 1.07 0.42 -0.92 0.00 0.00 175.35 175.29 2kg2 s ILE 77 N 1.52 3.60 0.00 2.17 1.01 -0.49 0.08 121.20 129.09 2kg2 s ILE 77 Ca 0.03 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.10 2kg2 s ILE 77 Cb -0.21 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.42 2kg2 s ILE 77 CO 0.05 0.20 0.00 0.23 0.00 0.00 0.00 174.94 175.42 2kg2 n MET 78 N 0.61 0.70 -3.78 2.79 2.81 0.68 -4.44 117.12 116.50 2kg2 n MET 78 Ca 0.02 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.78 2kg2 n MET 78 Cb 0.47 -0.95 -0.13 0.00 -0.71 0.00 0.00 33.22 31.90 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 -1.79 0.16 -0.05 0.03 -0.44 -0.75 -1.05 119.66 115.77 2kg2 s GLN 79 Ca 0.00 0.33 -0.02 0.00 -2.50 0.00 0.00 55.36 53.16 2kg2 s GLN 79 Cb 0.00 -0.04 0.03 0.00 -1.64 0.00 0.00 33.01 31.36 2kg2 s GLN 79 CO 0.00 -0.10 0.08 0.08 0.50 0.00 0.00 175.29 175.85 2kg2 s VAL 80 N 0.66 -0.13 -1.51 1.34 1.01 -1.26 0.03 120.40 120.54 2kg2 s VAL 80 Ca -0.05 0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.22 2kg2 s VAL 80 Cb -0.06 -0.17 0.08 0.00 0.00 0.00 0.00 36.38 36.22 2kg2 s VAL 80 CO -0.03 0.17 0.96 -3.20 0.00 0.00 0.00 175.10 173.00 2kg2 n ASN 81 N 5.30 -4.95 -1.71 3.32 4.05 0.15 -0.46 115.26 120.96 2kg2 n ASN 81 Ca -0.03 -0.72 -0.19 0.00 0.45 0.00 0.00 54.58 54.09 2kg2 n ASN 81 Cb 0.50 -3.95 -0.07 0.00 1.23 0.00 0.00 39.78 37.49 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 1.35 0.82 8.20 0.00 -1.26 -4.88 105.19 107.74 2kg2 n GLY 82 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.54 0.00 -2.85 1.61 4.27 0.39 -5.05 117.44 113.27 2kg2 n TRP 83 Ca -0.19 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.39 2kg2 n TRP 83 Cb 0.62 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.55 2kg2 n TRP 83 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 2kg2 n ASP 84 N 1.13 -4.22 0.00 -0.67 5.75 -1.26 -4.93 116.55 112.34 2kg2 n ASP 84 Ca 0.12 1.14 0.10 0.00 -0.01 0.00 0.00 54.79 56.14 2kg2 n ASP 84 Cb 0.51 -3.40 -0.04 0.00 -1.03 0.00 0.00 41.12 37.16 2kg2 n ASP 84 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 2kg2 n MET 85 N 2.06 0.00 -0.31 0.11 1.56 -0.28 -4.59 117.12 115.67 2kg2 n MET 85 Ca -0.20 -0.00 0.26 0.00 -0.27 0.00 0.00 57.70 57.49 2kg2 n MET 85 Cb 0.33 -1.50 0.45 0.00 2.15 0.00 0.00 33.22 34.65 2kg2 n MET 85 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 2kg2 n THR 86 N -1.50 -0.17 -3.51 1.12 5.66 -0.22 -3.32 114.28 112.34 2kg2 n THR 86 Ca 0.04 1.21 -0.29 0.00 -3.05 0.00 0.00 64.05 61.96 2kg2 n THR 86 Cb 0.33 -1.98 -0.13 0.00 -1.55 0.00 0.00 70.33 67.00 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 -4.72 0.46 -0.00 1.09 -2.45 -1.26 -4.30 119.30 108.13 2kg2 s MET 87 Ca -0.05 -1.08 -0.22 0.00 -1.25 0.00 0.00 55.69 53.09 2kg2 s MET 87 Cb 0.21 -1.32 0.05 0.00 1.25 0.00 0.00 34.83 35.01 2kg2 s MET 87 CO 0.54 -1.14 0.49 0.54 1.05 0.00 0.00 175.02 176.50 2kg2 s VAL 88 N 1.40 0.03 0.66 10.11 0.11 -1.21 -5.06 120.40 126.44 2kg2 s VAL 88 Ca 0.15 -0.27 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 2kg2 s VAL 88 Cb -0.21 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 2kg2 s VAL 88 CO -0.12 -0.15 1.07 0.42 -3.33 0.00 0.00 175.10 172.98 2kg2 s THR 89 N -1.74 3.79 0.19 5.04 -4.23 -1.26 -3.79 115.64 113.64 2kg2 s THR 89 Ca -0.09 0.71 -0.11 0.00 -1.18 0.00 0.00 61.69 61.01 2kg2 s THR 89 Cb -0.02 -3.31 0.11 0.00 1.34 0.00 0.00 72.50 70.63 2kg2 s THR 89 CO 0.04 -0.63 1.74 -0.74 -0.54 0.00 0.00 174.62 174.49 2kg2 h HIS 90 N -0.21 0.33 -0.44 3.99 2.76 -1.92 0.42 115.15 120.08 2kg2 h HIS 90 Ca -0.45 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.73 2kg2 h HIS 90 Cb 1.22 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.09 2kg2 h HIS 90 CO 0.59 0.09 0.20 0.22 -1.30 0.00 0.00 177.93 177.74 2kg2 h ASP 91 N 0.37 0.58 -0.01 3.26 3.58 -1.99 0.11 116.42 122.32 2kg2 h ASP 91 Ca 0.27 -0.14 -0.19 0.00 0.42 0.00 0.00 57.03 57.39 2kg2 h ASP 91 Cb 0.31 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2kg2 h ASP 91 CO -0.27 0.55 -0.68 1.56 -2.88 0.00 0.00 179.24 177.52 2kg2 h GLN 92 N 0.57 0.64 -0.57 0.28 7.50 -1.89 -3.18 115.11 118.45 2kg2 h GLN 92 Ca 0.15 -0.47 -0.11 0.00 0.50 0.00 0.00 58.65 58.72 2kg2 h GLN 92 Cb 0.13 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.73 2kg2 h GLN 92 CO -0.02 1.09 -0.07 0.00 -1.50 0.00 0.00 178.83 178.34 2kg2 h ALA 93 N 0.78 0.79 -0.87 3.87 0.00 -0.59 -2.90 119.26 120.34 2kg2 h ALA 93 Ca -0.02 -0.34 0.19 0.00 0.00 0.00 0.00 54.91 54.74 2kg2 h ALA 93 Cb 1.27 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 2kg2 h ALA 93 CO 0.13 0.68 0.58 0.00 0.00 0.00 0.00 179.25 180.63 2kg2 h ARG 94 N 0.95 0.42 -0.49 0.00 2.47 -0.77 0.31 114.38 117.26 2kg2 h ARG 94 Ca 0.15 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2kg2 h ARG 94 Cb 0.63 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2kg2 h ARG 94 CO 0.04 0.28 0.00 1.17 0.56 0.00 0.00 179.97 182.02 2kg2 n LYS 95 N -4.51 2.04 0.00 0.04 3.00 -1.10 -2.74 118.16 114.89 2kg2 n LYS 95 Ca 0.18 -1.19 0.00 0.00 -0.00 0.00 0.00 58.31 57.31 2kg2 n LYS 95 Cb 0.65 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 34.23 2kg2 n LYS 95 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2kg2 n ARG 96 N 0.36 0.05 -0.00 1.64 3.00 0.87 -4.56 116.66 118.01 2kg2 n ARG 96 Ca 0.11 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 58.04 2kg2 n ARG 96 Cb 0.40 -0.67 -0.11 0.00 0.00 0.00 0.00 32.46 32.08 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 -1.81 0.69 -0.08 6.15 -0.00 0.05 -4.22 117.00 117.77 2kg2 n LEU 97 Ca 0.00 -0.41 0.03 0.00 -0.00 0.00 0.00 56.01 55.63 2kg2 n LEU 97 Cb 0.17 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.63 2kg2 n LEU 97 CO 0.00 0.17 0.45 1.07 -0.00 0.00 0.00 177.39 179.08 2kg2 n THR 98 N -1.56 0.97 -0.32 1.47 5.66 -1.11 -4.53 114.28 114.86 2kg2 n THR 98 Ca 0.02 -1.08 0.00 0.00 -3.05 0.00 0.00 64.05 59.94 2kg2 n THR 98 Cb 0.32 0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.46 2kg2 n THR 98 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2kg2 n LYS 99 N -0.63 -1.04 0.00 1.09 2.85 -1.16 -4.80 118.16 114.47 2kg2 n LYS 99 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2kg2 n LYS 99 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 2kg2 n LYS 99 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2kg2 n ARG 100 N -1.47 0.11 -0.03 -1.58 1.85 -1.25 -4.48 116.66 109.80 2kg2 n ARG 100 Ca 0.00 -0.41 -0.17 0.00 -1.00 0.00 0.00 57.85 56.27 2kg2 n ARG 100 Cb 0.00 -0.69 -0.07 0.00 -1.05 0.00 0.00 32.46 30.65 2kg2 n ARG 100 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2kg2 h SER 101 N 0.00 0.93 -3.16 2.89 0.02 -1.95 -3.43 113.55 108.85 2kg2 h SER 101 Ca 0.00 -0.62 -0.60 0.00 -0.84 0.00 0.00 61.79 59.73 2kg2 h SER 101 Cb 0.47 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 62.66 2kg2 h SER 101 CO 0.00 1.40 -0.24 -1.61 -1.14 0.00 0.00 176.83 175.24 2kg2 s GLU 102 N -3.78 4.11 -0.09 3.45 8.01 -1.26 -5.00 118.70 124.13 2kg2 s GLU 102 Ca -0.11 0.30 -0.01 0.00 0.01 0.00 0.00 54.97 55.16 2kg2 s GLU 102 Cb 0.08 -3.34 -0.00 0.00 -4.31 0.00 0.00 34.13 26.56 2kg2 s GLU 102 CO 0.90 0.42 -0.02 1.05 0.01 0.00 0.00 175.26 177.61 2kg2 h GLU 103 N 5.86 0.00 -5.29 1.61 9.09 -1.94 -3.47 114.58 120.44 2kg2 h GLU 103 Ca -0.46 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.28 2kg2 h GLU 103 Cb 1.19 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 27.96 2kg2 h GLU 103 CO 0.69 0.00 -0.88 0.54 0.05 0.00 0.00 179.01 179.42 2kg2 s VAL 104 N -1.58 2.02 0.06 -1.06 0.11 -1.26 -1.51 120.40 117.19 2kg2 s VAL 104 Ca -0.02 -0.99 0.08 0.00 -2.93 0.00 0.00 61.98 58.11 2kg2 s VAL 104 Cb 0.00 -1.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.07 2kg2 s VAL 104 CO 0.03 0.55 -0.21 0.68 -3.33 0.00 0.00 175.10 172.82 2kg2 s VAL 105 N 0.43 1.68 -0.31 2.04 -7.23 -1.10 -4.99 120.40 110.93 2kg2 s VAL 105 Ca -0.17 -1.31 -0.13 0.00 -1.81 0.00 0.00 61.98 58.56 2kg2 s VAL 105 Cb -0.18 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 2kg2 s VAL 105 CO 0.07 0.12 0.26 -0.13 -0.31 0.00 0.00 175.10 175.11 2kg2 s ARG 106 N -1.41 3.75 0.19 4.82 0.52 -1.26 -2.70 118.95 122.85 2kg2 s ARG 106 Ca 0.07 -0.39 0.08 0.00 -0.52 0.00 0.00 55.73 54.97 2kg2 s ARG 106 Cb -0.09 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 2kg2 s ARG 106 CO 0.03 -0.34 -0.03 -0.51 0.02 0.00 0.00 175.30 174.47 2kg2 s LEU 107 N 1.84 3.21 -0.06 2.53 1.43 0.59 0.33 118.68 128.54 2kg2 s LEU 107 Ca 0.09 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2kg2 s LEU 107 Cb -0.17 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.23 2kg2 s LEU 107 CO 0.11 0.08 -0.05 -0.76 0.23 0.00 0.00 176.35 175.96 2kg2 s LEU 108 N -3.02 1.18 0.23 1.79 1.02 0.10 0.43 118.68 120.41 2kg2 s LEU 108 Ca 0.27 -0.16 0.10 0.00 0.02 0.00 0.00 54.13 54.36 2kg2 s LEU 108 Cb -0.09 -0.54 -0.05 0.00 0.02 0.00 0.00 46.19 45.54 2kg2 s LEU 108 CO 0.18 -0.08 -0.18 0.68 0.02 0.00 0.00 176.35 176.97 2kg2 s VAL 109 N 1.22 2.07 -0.08 -1.59 -7.23 0.54 -0.23 120.40 115.10 2kg2 s VAL 109 Ca -0.06 -2.23 0.01 0.00 -1.81 0.00 0.00 61.98 57.89 2kg2 s VAL 109 Cb -0.14 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 2kg2 s VAL 109 CO -0.02 -0.45 -0.10 0.42 -0.31 0.00 0.00 175.10 174.64 2kg2 s THR 110 N -2.58 3.38 -0.33 5.32 -4.23 0.11 -0.22 115.64 117.09 2kg2 s THR 110 Ca 0.24 -0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 60.04 2kg2 s THR 110 Cb -0.04 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 71.40 2kg2 s THR 110 CO 0.10 0.57 0.23 -0.13 -0.54 0.00 0.00 174.62 174.85 2kg2 s ARG 111 N -0.48 3.58 -0.09 3.99 1.81 0.15 -2.49 118.95 125.41 2kg2 s ARG 111 Ca 0.07 -0.59 0.15 0.00 -1.72 0.00 0.00 55.73 53.64 2kg2 s ARG 111 Cb -0.12 -3.77 0.60 0.00 -0.45 0.00 0.00 34.95 31.20 2kg2 s ARG 111 CO 0.02 -0.39 1.47 1.04 -0.68 0.00 0.00 175.30 176.76 2kg2 n GLN 112 N 5.09 3.26 0.00 3.54 1.13 -1.26 -1.39 117.38 127.76 2kg2 n GLN 112 Ca -0.13 -2.35 0.00 0.00 -1.94 0.00 0.00 57.00 52.58 2kg2 n GLN 112 Cb 0.50 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 29.06 2kg2 n GLN 112 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2kg2 n SER 113 N 0.89 0.30 -0.27 1.08 7.64 -1.26 -1.83 113.62 120.16 2kg2 n SER 113 Ca 0.21 -1.28 0.08 0.00 1.01 0.00 0.00 58.87 58.89 2kg2 n SER 113 Cb 0.76 -0.15 0.15 0.00 -1.01 0.00 0.00 64.21 63.96 2kg2 n SER 113 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kg2 n LEU 114 N -0.18 2.68 -4.82 -3.43 4.32 -1.18 -5.00 117.00 109.40 2kg2 n LEU 114 Ca 0.00 -2.90 -0.33 0.00 -0.02 0.00 0.00 56.01 52.76 2kg2 n LEU 114 Cb 0.08 -0.40 -0.07 0.00 -1.62 0.00 0.00 43.42 41.41 2kg2 n LEU 114 CO 0.00 0.68 0.66 0.00 -1.22 0.00 0.00 177.39 177.50 2kg2 s GLN 115 N -2.57 4.18 -0.21 3.23 -2.07 -0.76 -4.64 119.66 116.82 2kg2 s GLN 115 Ca 0.30 1.13 -0.18 0.00 -1.82 0.00 0.00 55.36 54.79 2kg2 s GLN 115 Cb 0.25 -2.17 0.06 0.00 -1.09 0.00 0.00 33.01 30.06 2kg2 s GLN 115 CO 0.05 -0.08 0.55 0.21 -1.32 0.00 0.00 175.29 174.70 2kg2 s LYS 116 N -3.22 0.63 0.36 9.60 2.20 -1.26 -5.14 119.74 122.91 2kg2 s LYS 116 Ca 0.62 0.79 -0.26 0.00 -0.36 0.00 0.00 55.97 56.76 2kg2 s LYS 116 Cb -0.10 0.29 -0.09 0.00 -1.51 0.00 0.00 37.83 36.42 2kg2 s LYS 116 CO 0.14 -0.08 1.15 0.00 -0.36 0.00 0.00 175.35 176.20 2kg2 s ALA 117 N 0.41 3.25 -0.52 3.13 0.00 -1.26 -3.93 121.76 122.85 2kg2 s ALA 117 Ca -0.01 0.95 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 2kg2 s ALA 117 Cb -0.04 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2kg2 s ALA 117 CO -0.01 -0.42 0.51 0.28 0.00 0.00 0.00 175.76 176.12 2kg2 n VAL 118 N 0.41 -7.86 0.15 0.00 0.31 -1.26 -4.96 118.33 105.12 2kg2 n VAL 118 Ca 0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2kg2 n VAL 118 Cb 0.46 -6.07 0.00 0.00 -0.91 0.00 0.00 33.84 27.32 2kg2 n VAL 118 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2kg2 n GLN 119 N -1.43 0.00 -2.77 5.55 7.27 -1.25 -5.14 117.38 119.61 2kg2 n GLN 119 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.04 2kg2 n GLN 119 Cb 0.48 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.10 2kg2 n GLN 119 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2kg2 n GLN 120 N -3.19 -3.50 0.17 3.69 3.00 -1.22 -4.89 117.38 111.44 2kg2 n GLN 120 Ca 0.00 2.72 0.02 0.00 -0.01 0.00 0.00 57.00 59.73 2kg2 n GLN 120 Cb 0.00 -3.69 0.34 0.00 0.00 0.00 0.00 30.24 26.88 2kg2 n GLN 120 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 2kg2 h SER 121 N 4.40 0.04 0.00 1.08 0.02 -0.15 -3.45 113.55 115.49 2kg2 h SER 121 Ca -0.37 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2kg2 h SER 121 Cb 0.86 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2kg2 h SER 121 CO 0.01 0.41 0.00 0.80 -1.14 0.00 0.00 176.83 176.91 2kg2 n MET 122 N -4.08 0.00 -0.03 3.45 0.00 -1.26 -4.94 117.12 110.26 2kg2 n MET 122 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.70 57.65 2kg2 n MET 122 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.60 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 -2.81 1.02 0.00 -0.89 4.77 -1.26 -5.16 117.00 112.66 2kg2 n LEU 123 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2kg2 n LEU 123 Cb 0.00 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2kg2 n LEU 123 CO 0.00 0.29 0.00 -1.20 -1.33 0.00 0.00 177.39 175.15