#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 0.00 -1.28 1.61 0.02 -1.97 -3.46 113.55 108.47 2kg2 h SER 2 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kg2 h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kg2 h SER 2 CO 0.00 0.77 0.00 0.00 -1.14 0.00 0.00 176.83 176.46 2kg2 n TYR 3 N -3.31 0.00 0.33 3.45 0.18 -1.26 -5.07 117.16 111.49 2kg2 n TYR 3 Ca 0.01 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.65 2kg2 n TYR 3 Cb 0.84 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.74 2kg2 n TYR 3 CO 0.00 0.00 0.00 0.82 -2.08 0.00 0.00 176.86 175.60 2kg2 h ILE 4 N 0.00 0.00 -3.12 -3.48 1.08 -2.00 -3.45 117.51 106.54 2kg2 h ILE 4 Ca 0.00 -0.24 -0.40 0.00 -0.39 0.00 0.00 64.86 63.82 2kg2 h ILE 4 Cb 0.00 0.00 0.21 0.00 -3.07 0.00 0.00 36.82 33.96 2kg2 h ILE 4 CO 0.00 0.00 -0.07 -2.16 -0.69 0.00 0.00 178.15 175.23 2kg2 s PRO 5 N -4.49 -2.19 -0.04 2.37 0.04 -1.26 -4.79 135.00 124.63 2kg2 s PRO 5 Ca -0.13 0.38 0.06 0.00 0.04 0.00 0.00 61.00 61.35 2kg2 s PRO 5 Cb 0.01 -1.44 0.09 0.00 0.04 0.00 0.00 34.50 33.20 2kg2 s PRO 5 CO 0.38 -4.45 0.94 0.41 0.04 0.00 0.00 177.00 174.33 2kg2 n GLY 6 N 1.10 1.85 3.22 0.56 0.00 -1.26 -3.63 105.19 107.03 2kg2 n GLY 6 Ca 0.09 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.16 1.92 0.00 1.61 2.00 -1.26 -4.74 119.66 118.04 2kg2 s GLN 7 Ca 0.09 -0.76 0.00 0.00 -2.00 0.00 0.00 55.36 52.69 2kg2 s GLN 7 Cb 0.08 -1.76 0.00 0.00 0.80 0.00 0.00 33.01 32.14 2kg2 s GLN 7 CO 0.01 0.40 0.00 -0.35 -0.50 0.00 0.00 175.29 174.85 2kg2 n PRO 8 N 2.77 0.00 0.00 1.67 -0.04 -1.06 -4.56 135.00 133.77 2kg2 n PRO 8 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2kg2 n PRO 8 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2kg2 n PRO 8 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2kg2 n VAL 9 N 0.00 0.00 0.34 0.52 0.24 -1.26 -4.56 118.33 113.60 2kg2 n VAL 9 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.44 2kg2 n VAL 9 Cb 0.00 -0.23 0.48 0.00 -1.47 0.00 0.00 33.84 32.62 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 0.00 -3.16 3.34 1.03 -1.96 -3.41 112.91 108.76 2kg2 h THR 10 Ca 0.00 -0.57 -0.17 0.00 -0.01 0.00 0.00 66.41 65.66 2kg2 h THR 10 Cb 0.29 1.52 -0.26 0.00 -1.07 0.00 0.00 68.15 68.63 2kg2 h THR 10 CO 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 175.52 175.06 2kg2 s ALA 11 N -3.40 -0.58 0.02 0.00 0.00 -1.26 -4.57 121.76 111.97 2kg2 s ALA 11 Ca 0.05 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.70 2kg2 s ALA 11 Cb 0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2kg2 s ALA 11 CO 0.55 -0.12 -0.05 0.54 0.00 0.00 0.00 175.76 176.68 2kg2 s VAL 12 N 0.22 0.35 -0.18 0.00 0.11 -1.24 -2.56 120.40 117.08 2kg2 s VAL 12 Ca -0.01 -0.66 -0.17 0.00 -2.93 0.00 0.00 61.98 58.21 2kg2 s VAL 12 Cb -0.02 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 2kg2 s VAL 12 CO -0.00 -0.22 0.44 0.54 -3.33 0.00 0.00 175.10 172.53 2kg2 s VAL 13 N -0.86 5.18 0.11 2.04 0.11 -1.26 -0.58 120.40 125.15 2kg2 s VAL 13 Ca -0.06 0.80 0.05 0.00 -2.93 0.00 0.00 61.98 59.84 2kg2 s VAL 13 Cb -0.06 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 2kg2 s VAL 13 CO -0.00 0.26 -0.13 0.00 -3.33 0.00 0.00 175.10 171.90 2kg2 s GLN 14 N 1.19 0.95 0.03 1.54 1.03 0.64 -4.95 119.66 120.10 2kg2 s GLN 14 Ca 0.21 -1.19 -0.06 0.00 0.04 0.00 0.00 55.36 54.36 2kg2 s GLN 14 Cb -0.15 -0.79 -0.05 0.00 0.03 0.00 0.00 33.01 32.05 2kg2 s GLN 14 CO 0.08 0.15 0.29 -0.98 -2.54 0.00 0.00 175.29 172.29 2kg2 s ARG 15 N -2.62 3.60 0.05 9.60 1.04 -1.26 -0.81 118.95 128.54 2kg2 s ARG 15 Ca 0.07 -0.07 0.03 0.00 -1.04 0.00 0.00 55.73 54.72 2kg2 s ARG 15 Cb -0.05 -3.04 -0.02 0.00 -2.04 0.00 0.00 34.95 29.80 2kg2 s ARG 15 CO 0.02 0.62 -0.10 0.54 -0.04 0.00 0.00 175.30 176.34 2kg2 s VAL 16 N -1.36 0.74 -0.28 4.99 0.11 0.17 -4.94 120.40 119.83 2kg2 s VAL 16 Ca 0.30 -1.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.25 2kg2 s VAL 16 Cb -0.13 -0.76 0.09 0.00 -1.53 0.00 0.00 36.38 34.05 2kg2 s VAL 16 CO 0.18 -0.27 0.08 -0.70 -3.33 0.00 0.00 175.10 171.05 2kg2 s GLU 17 N -1.50 0.70 -0.16 1.54 2.12 -1.26 -0.06 118.70 120.08 2kg2 s GLU 17 Ca -0.06 -0.86 -0.18 0.00 0.36 0.00 0.00 54.97 54.23 2kg2 s GLU 17 Cb -0.09 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.28 2kg2 s GLU 17 CO 0.01 -0.88 0.50 0.42 -0.54 0.00 0.00 175.26 174.77 2kg2 s ILE 18 N 1.71 5.14 0.14 -3.70 1.09 -0.95 -4.65 121.20 119.97 2kg2 s ILE 18 Ca 0.06 0.96 -0.04 0.00 -1.10 0.00 0.00 60.65 60.53 2kg2 s ILE 18 Cb -0.17 -3.83 -0.05 0.00 -1.06 0.00 0.00 42.46 37.34 2kg2 s ILE 18 CO -0.21 0.24 0.36 -1.00 -0.10 0.00 0.00 174.94 174.23 2kg2 s HIS 19 N 1.18 3.48 -0.33 3.97 3.76 -1.26 -1.88 115.29 124.21 2kg2 s HIS 19 Ca 0.25 0.49 -0.43 0.00 -0.15 0.00 0.00 55.06 55.22 2kg2 s HIS 19 Cb -0.15 -1.95 -0.18 0.00 1.11 0.00 0.00 32.58 31.40 2kg2 s HIS 19 CO 0.10 0.45 1.58 0.36 -0.85 0.00 0.00 174.74 176.38 2kg2 n LYS 20 N 0.03 0.48 -4.44 1.40 2.85 -0.13 -4.71 118.16 113.64 2kg2 n LYS 20 Ca -0.03 0.18 -0.31 0.00 -1.05 0.00 0.00 58.31 57.10 2kg2 n LYS 20 Cb 0.52 -1.75 -0.16 0.00 -0.65 0.00 0.00 35.03 32.98 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 2.72 1.91 -0.11 -5.58 2.96 -0.96 -5.01 118.68 114.61 2kg2 s LEU 21 Ca 1.00 -0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 54.13 2kg2 s LEU 21 Cb -1.29 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 2kg2 s LEU 21 CO 0.71 0.03 0.79 -0.13 -1.32 0.00 0.00 176.35 176.43 2kg2 s ARG 22 N 1.03 4.38 -0.21 1.98 0.52 -1.26 0.33 118.95 125.72 2kg2 s ARG 22 Ca -0.04 1.00 -0.00 0.00 -0.52 0.00 0.00 55.73 56.16 2kg2 s ARG 22 Cb -0.15 -3.51 0.06 0.00 0.52 0.00 0.00 34.95 31.87 2kg2 s ARG 22 CO -0.04 -0.14 -0.04 -0.65 0.02 0.00 0.00 175.30 174.45 2kg2 s GLN 23 N 1.48 1.38 5.16 3.54 -0.21 0.03 -4.93 119.66 126.11 2kg2 s GLN 23 Ca 0.39 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 55.02 2kg2 s GLN 23 Cb -0.18 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.49 2kg2 s GLN 23 CO 0.16 -0.56 0.00 0.41 -2.12 0.00 0.00 175.29 173.18 2kg2 n GLY 24 N 4.80 1.40 0.07 3.09 0.00 -1.26 -0.97 105.19 112.31 2kg2 n GLY 24 Ca -0.11 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 1.81 -3.97 1.61 1.02 -1.26 -5.04 120.64 114.81 2kg2 n GLU 25 Ca 0.00 -1.89 -0.24 0.00 -0.02 0.00 0.00 57.16 55.01 2kg2 n GLU 25 Cb 0.00 -1.16 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 2kg2 n GLU 25 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2kg2 s ASN 26 N -1.79 4.60 -0.25 1.62 0.01 -0.14 -5.09 114.94 113.90 2kg2 s ASN 26 Ca 0.14 -1.03 0.02 0.00 -0.71 0.00 0.00 52.86 51.29 2kg2 s ASN 26 Cb 0.13 -0.38 0.06 0.00 0.41 0.00 0.00 41.25 41.47 2kg2 s ASN 26 CO 0.01 -0.64 -0.07 -0.22 -1.51 0.00 0.00 177.10 174.67 2kg2 s LEU 27 N -4.00 3.08 0.31 0.60 1.98 -1.26 -0.79 118.68 118.59 2kg2 s LEU 27 Ca 0.41 -1.33 0.09 0.00 -2.89 0.00 0.00 54.13 50.41 2kg2 s LEU 27 Cb 0.01 -1.37 -0.06 0.00 0.66 0.00 0.00 46.19 45.43 2kg2 s LEU 27 CO 0.23 -0.22 -0.09 -0.63 -1.89 0.00 0.00 176.35 173.75 2kg2 s ILE 28 N 1.24 2.05 -2.26 6.68 1.01 0.15 -3.91 121.20 126.17 2kg2 s ILE 28 Ca -0.06 -2.20 0.22 0.00 0.00 0.00 0.00 60.65 58.61 2kg2 s ILE 28 Cb -0.19 -2.54 0.49 0.00 0.01 0.00 0.00 42.46 40.23 2kg2 s ILE 28 CO -0.06 -0.26 1.61 0.18 0.00 0.00 0.00 174.94 176.41 2kg2 n LEU 29 N -0.70 1.36 0.00 2.97 4.32 -1.26 -2.28 117.00 121.42 2kg2 n LEU 29 Ca -0.05 -0.55 0.00 0.00 -0.02 0.00 0.00 56.01 55.38 2kg2 n LEU 29 Cb 0.63 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 2kg2 n LEU 29 CO 0.41 0.28 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 2kg2 n GLY 30 N 1.08 1.86 3.94 -0.72 0.00 -1.26 -3.97 105.19 106.13 2kg2 n GLY 30 Ca 0.16 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.30 3.11 0.38 1.61 -0.71 -1.26 -2.99 117.98 117.81 2kg2 s PHE 31 Ca 0.00 0.31 0.08 0.00 -1.04 0.00 0.00 56.93 56.28 2kg2 s PHE 31 Cb 0.00 -2.64 -0.07 0.00 -1.21 0.00 0.00 43.02 39.10 2kg2 s PHE 31 CO 0.00 -0.73 -0.03 -1.12 -1.34 0.00 0.00 175.22 172.00 2kg2 s SER 32 N -4.32 3.73 0.29 1.98 0.01 0.24 -4.86 113.70 110.77 2kg2 s SER 32 Ca 0.53 -1.30 0.05 0.00 1.31 0.00 0.00 55.95 56.55 2kg2 s SER 32 Cb -0.10 -0.36 -0.06 0.00 0.21 0.00 0.00 66.02 65.71 2kg2 s SER 32 CO 0.41 -0.35 -0.00 0.27 0.41 0.00 0.00 173.24 173.97 2kg2 s ILE 33 N -2.70 1.37 -0.08 1.44 -4.36 -1.26 -1.12 121.20 114.48 2kg2 s ILE 33 Ca 0.34 -2.05 0.11 0.00 -0.26 0.00 0.00 60.65 58.78 2kg2 s ILE 33 Cb 0.07 -2.58 -0.15 0.00 1.25 0.00 0.00 42.46 41.04 2kg2 s ILE 33 CO 0.17 -0.18 0.10 0.61 0.24 0.00 0.00 174.94 175.89 2kg2 n GLY 34 N -0.61 -0.55 0.00 6.27 0.00 0.71 -4.54 105.19 106.48 2kg2 n GLY 34 Ca -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 2.17 3.40 0.00 -0.02 0.00 -1.26 -4.92 105.19 104.55 2kg2 n GLY 35 Ca -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.10 0.71 0.23 -0.02 0.00 -1.24 -3.89 105.19 99.88 2kg2 n GLY 36 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.75 0.00 -0.61 -2.65 -1.83 -1.86 117.51 111.31 2kg2 h ILE 37 Ca 0.00 -0.83 0.00 0.00 1.03 0.00 0.00 64.86 65.06 2kg2 h ILE 37 Cb 0.00 1.51 0.00 0.00 -2.05 0.00 0.00 36.82 36.28 2kg2 h ILE 37 CO 0.00 0.20 0.00 -0.78 0.03 0.00 0.00 178.15 177.60 2kg2 h ASP 38 N 0.00 0.00 -2.02 2.16 3.58 -1.92 -3.44 116.42 114.79 2kg2 h ASP 38 Ca -0.00 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 57.00 2kg2 h ASP 38 Cb 0.49 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.55 2kg2 h ASP 38 CO 0.03 0.00 -0.29 -1.10 -2.88 0.00 0.00 179.24 174.99 2kg2 s GLN 39 N -3.70 3.12 -0.19 0.28 -1.52 -0.70 -5.06 119.66 111.90 2kg2 s GLN 39 Ca -0.00 -0.89 0.01 0.00 -1.95 0.00 0.00 55.36 52.53 2kg2 s GLN 39 Cb 0.10 -2.77 0.02 0.00 -0.22 0.00 0.00 33.01 30.14 2kg2 s GLN 39 CO 0.45 0.01 -0.19 0.34 -0.25 0.00 0.00 175.29 175.65 2kg2 s ASP 40 N -4.17 3.30 0.59 5.90 -1.08 -1.26 -4.96 116.67 114.98 2kg2 s ASP 40 Ca 0.45 -0.73 0.28 0.00 -0.52 0.00 0.00 52.55 52.04 2kg2 s ASP 40 Cb -0.10 -1.49 1.53 0.00 -1.46 0.00 0.00 42.92 41.40 2kg2 s ASP 40 CO 0.32 -0.02 1.97 1.55 0.52 0.00 0.00 175.17 179.51 2kg2 h PRO 41 N 7.93 0.00 0.00 4.34 0.13 -1.89 0.86 132.00 143.36 2kg2 h PRO 41 Ca -0.43 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.66 2kg2 h PRO 41 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2kg2 h PRO 41 CO 0.62 0.00 -0.21 1.03 -0.23 0.00 0.00 178.00 179.21 2kg2 h SER 42 N 0.00 0.00 0.00 1.44 0.87 -1.95 -3.04 113.55 110.87 2kg2 h SER 42 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2kg2 h SER 42 Cb 0.93 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2kg2 h SER 42 CO -0.00 0.21 0.00 0.00 -0.53 0.00 0.00 176.83 176.51 2kg2 n GLN 43 N -3.82 0.71 -3.40 2.24 10.64 0.18 -5.03 117.38 118.90 2kg2 n GLN 43 Ca -0.02 -0.90 -0.32 0.00 -1.83 0.00 0.00 57.00 53.93 2kg2 n GLN 43 Cb 0.31 -0.97 -0.05 0.00 -0.86 0.00 0.00 30.24 28.66 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 -0.41 6.65 -0.03 2.61 0.02 -0.51 -4.98 114.94 118.29 2kg2 s ASN 44 Ca 0.00 0.95 -0.26 0.00 -1.02 0.00 0.00 52.86 52.53 2kg2 s ASN 44 Cb 0.00 -2.24 -0.20 0.00 0.02 0.00 0.00 41.25 38.83 2kg2 s ASN 44 CO 0.00 -0.06 1.23 1.55 0.02 0.00 0.00 177.10 179.83 2kg2 h PRO 45 N 2.62 -0.03 -0.01 -0.60 0.13 -1.91 -3.24 132.00 128.96 2kg2 h PRO 45 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kg2 h PRO 45 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kg2 h PRO 45 CO 0.69 0.46 -0.22 1.19 -0.23 0.00 0.00 178.00 179.88 2kg2 n PHE 46 N -4.87 0.00 1.01 1.56 3.72 -1.26 -4.11 117.46 113.52 2kg2 n PHE 46 Ca -0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.44 2kg2 n PHE 46 Cb 0.26 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.02 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 0.11 2.69 0.17 4.37 2.88 -1.26 -3.57 113.62 119.02 2kg2 n SER 47 Ca 0.07 -1.88 0.06 0.00 -1.33 0.00 0.00 58.87 55.79 2kg2 n SER 47 Cb 0.33 -0.04 0.15 0.00 -0.75 0.00 0.00 64.21 63.89 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 4.06 0.00 0.00 -1.46 4.11 -1.62 -3.31 114.58 116.36 2kg2 h GLU 48 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kg2 h GLU 48 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kg2 h GLU 48 CO 0.00 0.34 -0.01 0.22 0.07 0.00 0.00 179.01 179.63 2kg2 h ASP 49 N 0.00 0.00 -3.38 3.06 3.58 -1.83 -3.44 116.42 114.41 2kg2 h ASP 49 Ca -0.00 -0.19 -0.65 0.00 0.42 0.00 0.00 57.03 56.61 2kg2 h ASP 49 Cb 1.17 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 41.97 2kg2 h ASP 49 CO 0.04 0.60 -0.69 -0.54 -2.88 0.00 0.00 179.24 175.77 2kg2 s LYS 50 N -1.69 3.53 0.00 0.28 -0.14 -1.25 -4.99 119.74 115.48 2kg2 s LYS 50 Ca -0.04 -0.57 0.17 0.00 -1.36 0.00 0.00 55.97 54.16 2kg2 s LYS 50 Cb -0.01 -2.96 0.56 0.00 -1.68 0.00 0.00 37.83 33.75 2kg2 s LYS 50 CO 0.14 0.03 1.43 0.25 -0.76 0.00 0.00 175.35 176.44 2kg2 n THR 51 N 4.13 0.33 -2.87 2.17 -2.24 -1.24 -4.40 114.28 110.15 2kg2 n THR 51 Ca -0.18 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.78 2kg2 n THR 51 Cb 0.52 0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.32 6.85 0.94 3.42 2.15 -1.26 -4.87 116.67 122.58 2kg2 s ASP 52 Ca 0.29 1.05 -0.12 0.00 0.43 0.00 0.00 52.55 54.20 2kg2 s ASP 52 Cb 0.15 -2.44 0.16 0.00 -0.30 0.00 0.00 42.92 40.49 2kg2 s ASP 52 CO 0.22 -0.53 1.10 -0.54 -0.17 0.00 0.00 175.17 175.25 2kg2 s LYS 53 N 2.88 0.88 0.00 4.34 1.02 -1.26 -5.02 119.74 122.58 2kg2 s LYS 53 Ca 0.36 0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.92 2kg2 s LYS 53 Cb -0.15 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 2kg2 s LYS 53 CO 0.07 -2.44 0.00 0.41 -0.92 0.00 0.00 175.35 172.47 2kg2 n GLY 54 N -1.34 3.90 3.71 -3.33 0.00 -1.26 -4.85 105.19 102.02 2kg2 n GLY 54 Ca 0.06 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 4.08 0.11 -0.61 -1.09 -1.13 -3.68 121.20 116.88 2kg2 s ILE 55 Ca 0.00 1.48 0.05 0.00 -2.23 0.00 0.00 60.65 59.95 2kg2 s ILE 55 Cb 0.00 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 2kg2 s ILE 55 CO 0.00 0.10 -0.13 -0.72 -1.23 0.00 0.00 174.94 172.96 2kg2 s TYR 56 N 1.26 1.26 0.16 3.97 -0.85 -1.26 -0.61 117.35 121.28 2kg2 s TYR 56 Ca 0.58 -0.57 -0.30 0.00 -0.52 0.00 0.00 57.07 56.26 2kg2 s TYR 56 Cb -0.29 -0.68 -0.07 0.00 0.38 0.00 0.00 41.96 41.31 2kg2 s TYR 56 CO 0.28 0.09 1.05 0.08 -1.52 0.00 0.00 175.55 175.52 2kg2 s VAL 57 N -2.08 4.09 -0.02 -3.49 1.01 -0.66 -0.20 120.40 119.04 2kg2 s VAL 57 Ca 0.06 1.79 0.10 0.00 0.00 0.00 0.00 61.98 63.93 2kg2 s VAL 57 Cb -0.05 -4.14 -0.15 0.00 0.00 0.00 0.00 36.38 32.04 2kg2 s VAL 57 CO 0.02 0.30 0.22 0.35 0.00 0.00 0.00 175.10 175.99 2kg2 n THR 58 N 2.49 0.00 -3.71 3.92 -2.24 -0.28 0.01 114.28 114.47 2kg2 n THR 58 Ca 0.02 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 2kg2 n THR 58 Cb 0.47 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 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 -2.68 0.52 0.19 -0.78 0.52 -1.23 -4.80 118.95 110.69 2kg2 s ARG 59 Ca -0.04 0.68 0.02 0.00 -0.52 0.00 0.00 55.73 55.87 2kg2 s ARG 59 Cb 0.06 0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.77 2kg2 s ARG 59 CO 0.41 -0.08 0.19 1.33 0.02 0.00 0.00 175.30 177.17 2kg2 n VAL 60 N 3.09 0.00 -3.00 3.52 0.24 -1.26 0.83 118.33 121.75 2kg2 n VAL 60 Ca -0.15 -0.71 -0.41 0.00 -2.04 0.00 0.00 64.34 61.02 2kg2 n VAL 60 Cb 0.57 -0.52 -0.05 0.00 -1.47 0.00 0.00 33.84 32.36 2kg2 n VAL 60 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2kg2 s SER 61 N -2.14 6.63 0.30 -1.34 0.15 -1.16 -4.63 113.70 111.51 2kg2 s SER 61 Ca 0.14 0.66 0.21 0.00 0.70 0.00 0.00 55.95 57.66 2kg2 s SER 61 Cb -0.01 -2.38 1.11 0.00 -1.71 0.00 0.00 66.02 63.02 2kg2 s SER 61 CO 0.09 -0.53 1.64 -1.84 1.20 0.00 0.00 173.24 173.80 2kg2 n GLU 62 N 6.03 0.14 -1.65 5.44 0.28 -1.26 -2.14 120.64 127.48 2kg2 n GLU 62 Ca 0.02 0.61 -0.04 0.00 -0.16 0.00 0.00 57.16 57.59 2kg2 n GLU 62 Cb 0.48 -1.93 0.01 0.00 1.43 0.00 0.00 31.44 31.43 2kg2 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kg2 n GLY 63 N -1.14 1.08 0.00 -1.84 0.00 -1.26 -5.04 105.19 96.99 2kg2 n GLY 63 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.39 4.16 0.22 -0.02 0.00 -0.91 -4.97 105.19 103.29 2kg2 n GLY 64 Ca -0.18 -2.20 0.06 0.00 0.00 0.00 0.00 46.02 43.70 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 0.37 1.61 0.13 -1.84 -1.03 132.00 131.24 2kg2 h PRO 65 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2kg2 h PRO 65 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kg2 h PRO 65 CO 0.00 0.19 -0.26 0.00 -0.23 0.00 0.00 178.00 177.70 2kg2 h ALA 66 N 1.81 -1.06 -0.04 -0.56 0.00 -1.84 0.68 119.26 118.25 2kg2 h ALA 66 Ca -0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2kg2 h ALA 66 Cb 0.34 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2kg2 h ALA 66 CO 0.02 -1.04 -0.62 1.05 0.00 0.00 0.00 179.25 178.66 2kg2 h GLU 67 N -0.60 0.16 -1.00 0.00 4.11 -1.51 0.38 114.58 116.13 2kg2 h GLU 67 Ca -0.05 -0.11 0.07 0.00 0.07 0.00 0.00 59.36 59.34 2kg2 h GLU 67 Cb 0.49 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 2kg2 h GLU 67 CO 0.03 0.73 0.64 0.82 0.07 0.00 0.00 179.01 181.30 2kg2 h ILE 68 N 0.12 1.07 0.04 -1.06 1.08 -1.13 -2.88 117.51 114.76 2kg2 h ILE 68 Ca -0.01 -0.40 -0.07 0.00 -0.39 0.00 0.00 64.86 64.00 2kg2 h ILE 68 Cb 1.11 -0.18 0.01 0.00 -3.07 0.00 0.00 36.82 34.69 2kg2 h ILE 68 CO 0.09 0.21 -0.28 0.00 -0.69 0.00 0.00 178.15 177.48 2kg2 h ALA 69 N 1.47 -0.02 0.00 1.87 0.00 -0.68 -3.48 119.26 118.42 2kg2 h ALA 69 Ca 0.44 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kg2 h ALA 69 Cb 0.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kg2 h ALA 69 CO -0.18 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.60 2kg2 n GLY 70 N 1.45 -0.17 3.66 0.00 0.00 -0.63 -4.84 105.19 104.66 2kg2 n GLY 70 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 4.16 0.24 0.99 2.96 0.12 -4.97 118.68 122.18 2kg2 s LEU 71 Ca 0.00 0.83 0.10 0.00 -0.22 0.00 0.00 54.13 54.84 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 -0.25 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.60 2kg2 s GLN 72 N 1.78 2.04 0.16 1.98 -1.52 -1.26 -3.35 119.66 119.50 2kg2 s GLN 72 Ca 0.28 -1.46 -0.31 0.00 -1.95 0.00 0.00 55.36 51.92 2kg2 s GLN 72 Cb -0.16 -2.06 -0.11 0.00 -0.22 0.00 0.00 33.01 30.47 2kg2 s GLN 72 CO 0.11 0.38 1.70 0.42 -0.25 0.00 0.00 175.29 177.65 2kg2 s ILE 73 N -2.14 2.42 0.00 1.08 1.01 -1.26 -2.39 121.20 119.91 2kg2 s ILE 73 Ca 0.29 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2kg2 s ILE 73 Cb -0.07 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2kg2 s ILE 73 CO 0.17 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2kg2 n GLY 74 N 3.98 0.74 3.66 6.18 0.00 0.10 -4.96 105.19 114.90 2kg2 n GLY 74 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.52 7.01 -0.70 1.61 1.01 -1.01 -4.26 116.67 117.80 2kg2 s ASP 75 Ca 0.00 1.25 -0.25 0.00 0.71 0.00 0.00 52.55 54.26 2kg2 s ASP 75 Cb 0.00 -2.49 0.05 0.00 1.01 0.00 0.00 42.92 41.49 2kg2 s ASP 75 CO 0.00 -0.52 1.14 -0.75 0.21 0.00 0.00 175.17 175.25 2kg2 s LYS 76 N 2.64 3.16 -0.03 8.23 2.20 -1.09 -1.66 119.74 133.17 2kg2 s LYS 76 Ca 0.41 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 2kg2 s LYS 76 Cb -0.16 -4.20 -0.03 0.00 -1.51 0.00 0.00 37.83 31.93 2kg2 s LYS 76 CO 0.10 -2.00 1.02 0.42 -0.36 0.00 0.00 175.35 174.52 2kg2 s ILE 77 N 5.00 4.74 -0.05 5.43 1.01 0.22 -0.17 121.20 137.38 2kg2 s ILE 77 Ca 0.29 1.98 0.09 0.00 0.00 0.00 0.00 60.65 63.01 2kg2 s ILE 77 Cb -0.12 -4.27 -0.13 0.00 0.01 0.00 0.00 42.46 37.95 2kg2 s ILE 77 CO 0.13 0.10 0.21 0.23 0.00 0.00 0.00 174.94 175.60 2kg2 n MET 78 N 4.34 0.70 -3.76 2.79 2.81 0.12 -3.74 117.12 120.37 2kg2 n MET 78 Ca 0.07 -0.07 -0.13 0.00 -1.81 0.00 0.00 57.70 55.77 2kg2 n MET 78 Cb 0.50 -1.17 -0.11 0.00 -0.71 0.00 0.00 33.22 31.72 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 -2.51 0.34 -0.04 0.03 -0.44 -0.83 -0.92 119.66 115.30 2kg2 s GLN 79 Ca -0.02 0.47 -0.02 0.00 -2.50 0.00 0.00 55.36 53.28 2kg2 s GLN 79 Cb 0.06 0.12 0.03 0.00 -1.64 0.00 0.00 33.01 31.58 2kg2 s GLN 79 CO 0.35 -0.07 0.05 0.08 0.50 0.00 0.00 175.29 176.21 2kg2 s VAL 80 N 0.40 -0.08 -1.61 1.34 1.01 -1.26 0.40 120.40 120.60 2kg2 s VAL 80 Ca -0.02 0.39 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 2kg2 s VAL 80 Cb -0.04 -0.17 0.12 0.00 0.00 0.00 0.00 36.38 36.30 2kg2 s VAL 80 CO -0.02 0.18 0.90 -3.20 0.00 0.00 0.00 175.10 172.96 2kg2 n ASN 81 N 5.19 -4.17 -0.85 3.32 2.85 0.16 0.14 115.26 121.90 2kg2 n ASN 81 Ca -0.05 -0.88 -0.11 0.00 -0.11 0.00 0.00 54.58 53.42 2kg2 n ASN 81 Cb 0.50 -3.40 -0.05 0.00 1.24 0.00 0.00 39.78 38.08 2kg2 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kg2 n GLY 82 N -1.56 1.12 0.00 8.20 0.00 -1.26 -4.93 105.19 106.76 2kg2 n GLY 82 Ca 0.06 -0.10 0.00 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 -2.36 0.00 0.00 1.61 4.27 0.12 -5.12 117.44 115.97 2kg2 n TRP 83 Ca -0.11 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.50 2kg2 n TRP 83 Cb 0.53 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.48 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 -0.75 0.00 0.00 -0.67 -0.08 -1.25 -4.89 116.55 108.91 2kg2 n ASP 84 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2kg2 n ASP 84 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 0.00 -0.35 0.06 -0.67 0.00 -0.10 -4.60 117.12 111.46 2kg2 n MET 85 Ca 0.00 -0.37 -0.06 0.00 -0.00 0.00 0.00 57.70 57.27 2kg2 n MET 85 Cb 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 33.22 32.32 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 0.50 1.57 -2.35 1.12 1.03 -1.37 -2.99 112.91 110.42 2kg2 h THR 86 Ca 0.00 -3.26 -0.59 0.00 -0.01 0.00 0.00 66.41 62.55 2kg2 h THR 86 Cb 0.26 2.78 -0.40 0.00 -1.07 0.00 0.00 68.15 69.72 2kg2 h THR 86 CO 0.00 0.90 -0.88 0.80 -0.01 0.00 0.00 175.52 176.33 2kg2 n MET 87 N -3.32 1.04 -3.71 0.00 0.00 -1.26 -4.30 117.12 105.57 2kg2 n MET 87 Ca -0.01 -3.68 -0.14 0.00 -0.00 0.00 0.00 57.70 53.87 2kg2 n MET 87 Cb 0.93 -1.74 -0.08 0.00 0.00 0.00 0.00 33.22 32.33 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 -1.03 0.05 0.67 1.12 0.11 -1.26 -5.04 120.40 115.02 2kg2 s VAL 88 Ca 0.33 -0.41 -0.13 0.00 -2.93 0.00 0.00 61.98 58.85 2kg2 s VAL 88 Cb 0.08 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 2kg2 s VAL 88 CO -0.14 -0.22 1.07 0.42 -3.33 0.00 0.00 175.10 172.90 2kg2 s THR 89 N -1.43 3.75 0.22 5.04 -4.23 -1.26 -3.25 115.64 114.48 2kg2 s THR 89 Ca -0.12 0.67 -0.08 0.00 -1.18 0.00 0.00 61.69 60.98 2kg2 s THR 89 Cb -0.04 -3.28 0.17 0.00 1.34 0.00 0.00 72.50 70.70 2kg2 s THR 89 CO 0.04 -0.65 1.82 -0.74 -0.54 0.00 0.00 174.62 174.56 2kg2 h HIS 90 N -0.36 0.80 0.01 3.99 2.76 -1.91 -0.28 115.15 120.16 2kg2 h HIS 90 Ca -0.45 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 57.75 2kg2 h HIS 90 Cb 1.22 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 2kg2 h HIS 90 CO 0.59 0.39 -0.05 0.22 -1.30 0.00 0.00 177.93 177.78 2kg2 h ASP 91 N 0.79 -0.14 -0.33 3.26 3.58 -1.99 0.14 116.42 121.73 2kg2 h ASP 91 Ca 0.33 0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.64 2kg2 h ASP 91 Cb 0.20 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2kg2 h ASP 91 CO -0.18 -0.07 -0.40 1.56 -2.88 0.00 0.00 179.24 177.26 2kg2 h GLN 92 N -0.09 0.89 -0.55 0.28 7.50 -1.90 -2.92 115.11 118.31 2kg2 h GLN 92 Ca 0.02 -0.47 -0.03 0.00 0.50 0.00 0.00 58.65 58.66 2kg2 h GLN 92 Cb 0.11 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.64 2kg2 h GLN 92 CO -0.04 1.12 0.23 0.00 -1.50 0.00 0.00 178.83 178.64 2kg2 h ALA 93 N 0.81 0.72 -0.93 3.87 0.00 -0.80 -2.40 119.26 120.53 2kg2 h ALA 93 Ca 0.06 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.92 2kg2 h ALA 93 Cb 0.98 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 2kg2 h ALA 93 CO 0.10 0.32 0.60 0.00 0.00 0.00 0.00 179.25 180.26 2kg2 h ARG 94 N 0.75 0.90 -0.92 0.00 2.47 -0.62 0.24 114.38 117.20 2kg2 h ARG 94 Ca 0.19 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.77 2kg2 h ARG 94 Cb 0.18 -0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.25 2kg2 h ARG 94 CO -0.02 0.59 0.10 1.17 0.56 0.00 0.00 179.97 182.38 2kg2 n LYS 95 N -4.55 1.96 0.00 0.04 3.00 -0.91 -1.68 118.16 116.02 2kg2 n LYS 95 Ca 0.17 -1.08 0.00 0.00 -0.00 0.00 0.00 58.31 57.39 2kg2 n LYS 95 Cb 0.33 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.74 2kg2 n LYS 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kg2 n ARG 96 N 0.09 0.00 0.02 1.64 5.12 0.17 -4.66 116.66 119.04 2kg2 n ARG 96 Ca 0.15 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.17 2kg2 n ARG 96 Cb 0.73 -0.17 -0.12 0.00 -1.16 0.00 0.00 32.46 31.75 2kg2 n ARG 96 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2kg2 n LEU 97 N -2.39 0.28 -0.17 0.55 -0.00 0.61 -4.12 117.00 111.75 2kg2 n LEU 97 Ca 0.00 0.11 0.04 0.00 -0.00 0.00 0.00 56.01 56.15 2kg2 n LEU 97 Cb 0.07 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.56 2kg2 n LEU 97 CO 0.00 -0.04 0.55 1.07 -0.00 0.00 0.00 177.39 178.97 2kg2 n THR 98 N -2.42 1.26 -0.62 1.47 5.66 -0.67 -4.07 114.28 114.89 2kg2 n THR 98 Ca -0.04 -1.32 -0.11 0.00 -3.05 0.00 0.00 64.05 59.53 2kg2 n THR 98 Cb 0.59 0.30 0.09 0.00 -1.55 0.00 0.00 70.33 69.77 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 -0.53 -1.98 0.00 1.09 2.85 -1.05 -4.85 118.16 113.69 2kg2 n LYS 99 Ca 0.07 -0.63 0.00 0.00 -1.05 0.00 0.00 58.31 56.69 2kg2 n LYS 99 Cb 0.40 -0.62 0.00 0.00 -0.65 0.00 0.00 35.03 34.16 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 -2.83 0.53 0.14 -1.58 1.85 -1.25 -4.49 116.66 109.03 2kg2 n ARG 100 Ca 0.06 -0.60 -0.24 0.00 -1.00 0.00 0.00 57.85 56.06 2kg2 n ARG 100 Cb 0.22 -0.66 -0.16 0.00 -1.05 0.00 0.00 32.46 30.81 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 0.81 -3.57 2.89 0.02 -1.95 -3.45 113.55 108.30 2kg2 h SER 101 Ca 0.00 -0.92 -0.51 0.00 -0.84 0.00 0.00 61.79 59.52 2kg2 h SER 101 Cb 0.66 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2kg2 h SER 101 CO 0.00 1.69 0.02 -1.61 -1.14 0.00 0.00 176.83 175.79 2kg2 s GLU 102 N -2.58 3.83 -0.08 3.45 8.01 -1.26 -5.02 118.70 125.04 2kg2 s GLU 102 Ca -0.10 0.41 -0.09 0.00 0.01 0.00 0.00 54.97 55.20 2kg2 s GLU 102 Cb 0.04 -2.50 -0.03 0.00 -4.31 0.00 0.00 34.13 27.33 2kg2 s GLU 102 CO 0.93 0.14 -0.18 -0.85 0.01 0.00 0.00 175.26 175.31 2kg2 n GLU 103 N -0.71 0.28 -5.15 1.61 0.28 -1.26 -4.90 120.64 110.78 2kg2 n GLU 103 Ca 0.02 0.11 -0.32 0.00 -0.16 0.00 0.00 57.16 56.81 2kg2 n GLU 103 Cb 0.53 -0.95 -0.16 0.00 1.43 0.00 0.00 31.44 32.29 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 -2.14 2.26 0.07 3.84 0.11 -1.26 -0.95 120.40 122.34 2kg2 s VAL 104 Ca -0.15 -0.97 0.02 0.00 -2.93 0.00 0.00 61.98 57.95 2kg2 s VAL 104 Cb 0.02 -1.86 -0.03 0.00 -1.53 0.00 0.00 36.38 32.98 2kg2 s VAL 104 CO 0.23 0.56 -0.08 0.68 -3.33 0.00 0.00 175.10 173.16 2kg2 s VAL 105 N 0.10 0.66 -0.19 2.04 -7.23 -0.79 -5.00 120.40 109.99 2kg2 s VAL 105 Ca -0.10 -1.54 -0.06 0.00 -1.81 0.00 0.00 61.98 58.47 2kg2 s VAL 105 Cb -0.16 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 2kg2 s VAL 105 CO 0.06 -0.62 0.02 -0.13 -0.31 0.00 0.00 175.10 174.11 2kg2 s ARG 106 N -2.75 3.71 0.08 4.82 3.00 -1.26 -2.24 118.95 124.31 2kg2 s ARG 106 Ca 0.02 -0.47 0.10 0.00 0.00 0.00 0.00 55.73 55.37 2kg2 s ARG 106 Cb -0.02 -3.11 -0.03 0.00 0.00 0.00 0.00 34.95 31.78 2kg2 s ARG 106 CO -0.02 0.09 -0.26 -0.51 0.00 0.00 0.00 175.30 174.60 2kg2 s LEU 107 N 0.81 2.24 -0.18 2.53 1.43 0.91 0.35 118.68 126.78 2kg2 s LEU 107 Ca 0.01 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 2kg2 s LEU 107 Cb -0.14 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.81 2kg2 s LEU 107 CO 0.02 0.22 -0.12 -0.76 0.23 0.00 0.00 176.35 175.95 2kg2 s LEU 108 N -1.60 2.59 0.14 1.79 1.02 0.16 0.42 118.68 123.21 2kg2 s LEU 108 Ca 0.13 -0.46 0.09 0.00 0.02 0.00 0.00 54.13 53.91 2kg2 s LEU 108 Cb -0.10 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 2kg2 s LEU 108 CO 0.04 0.03 -0.22 0.68 0.02 0.00 0.00 176.35 176.91 2kg2 s VAL 109 N 1.13 1.96 -0.17 -1.59 -7.23 0.01 0.11 120.40 114.61 2kg2 s VAL 109 Ca 0.01 -1.79 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 2kg2 s VAL 109 Cb -0.14 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 2kg2 s VAL 109 CO -0.04 -0.13 0.01 0.42 -0.31 0.00 0.00 175.10 175.05 2kg2 s THR 110 N -1.52 4.25 -0.84 5.32 -4.23 0.76 -0.26 115.64 119.11 2kg2 s THR 110 Ca 0.13 -0.23 -0.21 0.00 -1.18 0.00 0.00 61.69 60.21 2kg2 s THR 110 Cb -0.08 -2.89 0.10 0.00 1.34 0.00 0.00 72.50 70.96 2kg2 s THR 110 CO 0.06 0.47 1.11 -0.13 -0.54 0.00 0.00 174.62 175.59 2kg2 s ARG 111 N 0.47 3.43 -0.22 3.99 0.52 0.26 -2.69 118.95 124.71 2kg2 s ARG 111 Ca -0.01 -1.36 0.12 0.00 -0.52 0.00 0.00 55.73 53.97 2kg2 s ARG 111 Cb -0.14 -4.72 -0.22 0.00 0.52 0.00 0.00 34.95 30.39 2kg2 s ARG 111 CO 0.02 -1.84 -0.03 1.04 0.02 0.00 0.00 175.30 174.51 2kg2 n GLN 112 N 7.23 0.72 -0.07 3.54 1.13 -1.26 -3.72 117.38 124.94 2kg2 n GLN 112 Ca 0.15 0.04 0.11 0.00 -1.94 0.00 0.00 57.00 55.37 2kg2 n GLN 112 Cb 0.48 -1.51 0.14 0.00 0.11 0.00 0.00 30.24 29.46 2kg2 n GLN 112 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2kg2 n SER 113 N -2.91 3.04 -3.42 1.08 2.88 -1.26 -4.71 113.62 108.33 2kg2 n SER 113 Ca -0.37 -1.93 -0.16 0.00 -1.33 0.00 0.00 58.87 55.08 2kg2 n SER 113 Cb 1.09 -0.10 -0.10 0.00 -0.75 0.00 0.00 64.21 64.35 2kg2 n SER 113 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2kg2 s LEU 114 N -1.65 -0.28 0.00 2.46 2.96 -1.26 -5.05 118.68 115.85 2kg2 s LEU 114 Ca 0.30 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2kg2 s LEU 114 Cb 0.19 0.60 0.00 0.00 0.50 0.00 0.00 46.19 47.48 2kg2 s LEU 114 CO 0.28 -0.35 0.00 0.00 -1.32 0.00 0.00 176.35 174.97 2kg2 n GLN 115 N 5.33 0.00 -4.07 1.98 6.02 -1.26 -4.74 117.38 120.63 2kg2 n GLN 115 Ca -0.04 0.05 -0.33 0.00 -0.01 0.00 0.00 57.00 56.67 2kg2 n GLN 115 Cb 0.48 -0.37 -0.00 0.00 1.02 0.00 0.00 30.24 31.38 2kg2 n GLN 115 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2kg2 n LYS 116 N -1.17 -4.31 -1.77 -1.09 4.76 -1.26 -4.85 118.16 108.48 2kg2 n LYS 116 Ca 0.00 0.48 -0.41 0.00 -2.87 0.00 0.00 58.31 55.51 2kg2 n LYS 116 Cb 0.00 -5.30 0.00 0.00 -1.84 0.00 0.00 35.03 27.90 2kg2 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kg2 n ALA 117 N -4.52 2.27 -3.99 7.82 0.00 -1.26 -1.71 120.51 119.11 2kg2 n ALA 117 Ca 0.06 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 2kg2 n ALA 117 Cb 0.50 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 2kg2 n ALA 117 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kg2 n VAL 118 N 0.27 -0.87 0.10 0.00 3.14 -1.08 -4.69 118.33 115.20 2kg2 n VAL 118 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2kg2 n VAL 118 Cb 0.39 -1.53 0.00 0.00 -1.06 0.00 0.00 33.84 31.64 2kg2 n VAL 118 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 2kg2 n GLN 119 N -4.12 0.00 0.24 1.45 7.27 -1.02 -4.75 117.38 116.44 2kg2 n GLN 119 Ca 0.06 0.00 0.14 0.00 0.07 0.00 0.00 57.00 57.27 2kg2 n GLN 119 Cb 0.50 -0.02 0.40 0.00 2.41 0.00 0.00 30.24 33.53 2kg2 n GLN 119 CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 2kg2 h GLN 120 N 0.00 0.00 -2.29 3.69 3.07 -1.61 -3.42 115.11 114.56 2kg2 h GLN 120 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 2kg2 h GLN 120 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 27.48 27.33 2kg2 h GLN 120 CO 0.00 0.00 -0.07 0.45 0.09 0.00 0.00 178.83 179.30 2kg2 s SER 121 N -5.94 -0.70 0.42 0.06 0.15 -1.26 -5.15 113.70 101.28 2kg2 s SER 121 Ca 0.04 1.23 0.07 0.00 0.70 0.00 0.00 55.95 58.00 2kg2 s SER 121 Cb 0.07 1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 65.50 2kg2 s SER 121 CO 0.61 -0.21 0.25 0.00 1.20 0.00 0.00 173.24 175.09 2kg2 s MET 122 N 1.00 2.33 -1.06 5.44 0.23 -1.26 -2.64 119.30 123.34 2kg2 s MET 122 Ca -0.06 -1.74 -0.18 0.00 -1.03 0.00 0.00 55.69 52.69 2kg2 s MET 122 Cb -0.05 -2.12 0.12 0.00 -1.53 0.00 0.00 34.83 31.25 2kg2 s MET 122 CO -0.09 -0.15 1.32 -1.17 -2.03 0.00 0.00 175.02 172.90 2kg2 s LEU 123 N -3.99 4.71 0.00 0.18 2.96 -1.26 -5.01 118.68 116.27 2kg2 s LEU 123 Ca 0.44 -2.28 0.00 0.00 -0.22 0.00 0.00 54.13 52.07 2kg2 s LEU 123 Cb 0.01 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.26 2kg2 s LEU 123 CO 0.24 -1.04 0.00 -1.20 -1.32 0.00 0.00 176.35 173.03