#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gi8 s ILE 17 N 0.00 5.41 0.00 1.39 -1.09 -0.71 -4.01 121.20 122.19 1gi8 s ILE 17 Ca 0.00 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 1gi8 s ILE 17 Cb 0.00 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1gi8 s ILE 17 CO 0.00 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1gi8 n GLY 18 N 3.14 -2.04 0.00 6.18 0.00 -1.26 -2.09 105.19 109.12 1gi8 n GLY 18 Ca -0.17 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1gi8 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gi8 n GLY 19 N 0.00 -2.55 3.35 -0.02 0.00 -1.26 -4.89 105.19 99.82 1gi8 n GLY 19 Ca 0.00 -2.10 -0.18 0.00 0.00 0.00 0.00 46.02 43.74 1gi8 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gi8 s GLU 20 N -0.40 1.42 0.17 1.61 8.01 -0.65 -4.96 118.70 123.90 1gi8 s GLU 20 Ca 0.00 -1.75 -0.09 0.00 0.01 0.00 0.00 54.97 53.15 1gi8 s GLU 20 Cb 0.00 -0.60 -0.06 0.00 -4.31 0.00 0.00 34.13 29.16 1gi8 s GLU 20 CO 0.00 -0.16 0.47 -0.06 0.01 0.00 0.00 175.26 175.52 1gi8 s PHE 21 N -3.46 3.48 0.12 1.61 0.40 -1.26 -2.16 117.98 116.70 1gi8 s PHE 21 Ca 0.32 0.78 0.03 0.00 -0.60 0.00 0.00 56.93 57.46 1gi8 s PHE 21 Cb 0.07 -2.17 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 1gi8 s PHE 21 CO 0.11 0.38 0.09 -2.37 0.70 0.00 0.00 175.22 174.13 1gi8 n THR 22 N 0.20 0.00 -4.41 0.64 5.66 0.29 -4.87 114.28 111.80 1gi8 n THR 22 Ca -0.02 -0.85 -0.21 0.00 -3.05 0.00 0.00 64.05 59.92 1gi8 n THR 22 Cb 0.52 0.41 -0.10 0.00 -1.55 0.00 0.00 70.33 69.61 1gi8 n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1gi8 s THR 23 N -2.43 1.64 0.46 1.09 -4.23 -1.26 -4.25 115.64 106.66 1gi8 s THR 23 Ca 0.13 -2.14 0.26 0.00 -1.18 0.00 0.00 61.69 58.77 1gi8 s THR 23 Cb 0.01 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.77 1gi8 s THR 23 CO 0.09 -0.36 2.11 -0.29 -0.54 0.00 0.00 174.62 175.63 1gi8 h ILE 24 N 2.34 0.63 -0.26 2.99 6.09 -1.88 -2.45 117.51 124.96 1gi8 h ILE 24 Ca -0.40 -0.42 0.08 0.00 -1.37 0.00 0.00 64.86 62.75 1gi8 h ILE 24 Cb 1.23 1.26 -0.01 0.00 0.47 0.00 0.00 36.82 39.77 1gi8 h ILE 24 CO 0.66 0.10 0.42 -0.33 -3.07 0.00 0.00 178.15 175.92 1gi8 h GLU 25 N 0.00 0.00 -0.00 2.19 3.07 -1.87 0.18 114.58 118.15 1gi8 h GLU 25 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1gi8 h GLU 25 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1gi8 h GLU 25 CO 0.01 0.00 -0.29 0.09 -1.40 0.00 0.00 179.01 177.42 1gi8 n ASN 26 N -3.41 0.71 -2.93 1.42 3.02 -0.92 -4.32 115.26 108.84 1gi8 n ASN 26 Ca 0.04 -0.57 -0.13 0.00 -0.03 0.00 0.00 54.58 53.89 1gi8 n ASN 26 Cb 0.54 0.10 0.04 0.00 -0.61 0.00 0.00 39.78 39.85 1gi8 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gi8 n GLN 27 N -1.00 1.01 0.00 3.52 1.13 0.57 -5.00 117.38 117.61 1gi8 n GLN 27 Ca 0.10 -2.63 0.04 0.00 -1.94 0.00 0.00 57.00 52.58 1gi8 n GLN 27 Cb 0.33 -1.30 0.21 0.00 0.11 0.00 0.00 30.24 29.59 1gi8 n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1gi8 n PRO 28 N 0.27 0.08 0.00 -1.09 -0.04 -0.85 -0.62 135.00 132.75 1gi8 n PRO 28 Ca 0.14 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 1gi8 n PRO 28 Cb 0.69 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.70 1gi8 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1gi8 n TRP 29 N -1.36 0.00 -2.37 0.54 2.14 -1.14 -0.93 117.44 114.32 1gi8 n TRP 29 Ca 0.03 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.20 1gi8 n TRP 29 Cb 0.08 -0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.54 1gi8 n TRP 29 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1gi8 s PHE 30 N -2.30 3.43 0.03 -2.67 2.19 0.21 -1.05 117.98 117.81 1gi8 s PHE 30 Ca 0.22 1.47 0.08 0.00 0.33 0.00 0.00 56.93 59.03 1gi8 s PHE 30 Cb 0.19 -3.42 -0.03 0.00 -1.31 0.00 0.00 43.02 38.45 1gi8 s PHE 30 CO 0.47 -1.14 -0.25 0.00 1.83 0.00 0.00 175.22 176.13 1gi8 s ALA 31 N -0.31 2.10 -0.20 11.12 0.00 -0.15 -4.41 121.76 129.91 1gi8 s ALA 31 Ca 0.51 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 1gi8 s ALA 31 Cb -0.33 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1gi8 s ALA 31 CO 0.38 0.50 -0.03 0.00 0.00 0.00 0.00 175.76 176.61 1gi8 s ALA 32 N -0.74 2.88 -0.14 0.00 0.00 -0.60 -0.94 121.76 122.22 1gi8 s ALA 32 Ca 0.10 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 1gi8 s ALA 32 Cb -0.10 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1gi8 s ALA 32 CO 0.01 -0.27 -0.06 0.42 0.00 0.00 0.00 175.76 175.87 1gi8 s ILE 33 N 1.20 3.73 0.31 0.00 1.01 -0.76 -0.92 121.20 125.77 1gi8 s ILE 33 Ca 0.03 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.32 1gi8 s ILE 33 Cb -0.14 -2.61 -0.06 0.00 0.01 0.00 0.00 42.46 39.66 1gi8 s ILE 33 CO -0.00 0.51 -0.05 -0.31 0.00 0.00 0.00 174.94 175.09 1gi8 s TYR 34 N 0.18 2.10 0.03 3.97 2.02 0.17 -0.98 117.35 124.85 1gi8 s TYR 34 Ca -0.03 -0.67 0.06 0.00 -0.37 0.00 0.00 57.07 56.07 1gi8 s TYR 34 Cb -0.14 -1.24 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 1gi8 s TYR 34 CO 0.03 0.35 -0.19 0.50 -1.57 0.00 0.00 175.55 174.67 1gi8 s ARG 35 N -3.71 1.34 0.14 -0.62 3.52 0.58 -0.80 118.95 119.39 1gi8 s ARG 35 Ca 0.31 -0.84 -0.01 0.00 -0.13 0.00 0.00 55.73 55.06 1gi8 s ARG 35 Cb 0.04 -1.40 -0.04 0.00 -1.56 0.00 0.00 34.95 31.99 1gi8 s ARG 35 CO 0.14 0.36 0.32 1.03 -0.81 0.00 0.00 175.30 176.34 1gi8 s ARG 36 N -0.98 3.51 -0.17 5.12 0.52 0.76 -0.60 118.95 127.12 1gi8 s ARG 36 Ca 0.06 -0.33 -0.02 0.00 -0.52 0.00 0.00 55.73 54.92 1gi8 s ARG 36 Cb -0.08 -2.92 0.05 0.00 0.52 0.00 0.00 34.95 32.52 1gi8 s ARG 36 CO 0.01 0.50 0.01 -1.01 0.02 0.00 0.00 175.30 174.83 1gi8 s HIS 37 N -1.68 1.09 -0.79 -0.53 3.76 -0.27 -4.94 115.29 111.93 1gi8 s HIS 37 Ca 0.38 -0.79 -0.23 0.00 -0.15 0.00 0.00 55.06 54.27 1gi8 s HIS 37 Cb -0.12 -1.04 -0.21 0.00 1.11 0.00 0.00 32.58 32.32 1gi8 s HIS 37 CO 0.27 -0.56 1.85 -2.13 -0.85 0.00 0.00 174.74 173.32 1gi8 n ARG 37 N 5.03 0.06 -0.09 1.40 3.00 -1.26 -3.27 116.66 121.53 1gi8 n ARG 37 Ca -0.09 -1.33 -0.11 0.00 -0.00 0.00 0.00 57.85 56.32 1gi8 n ARG 37 Cb 0.48 -3.28 -0.13 0.00 0.00 0.00 0.00 32.46 29.52 1gi8 n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gi8 n GLY 37 N 5.71 -0.74 3.90 5.14 0.00 -1.26 -5.12 105.19 112.83 1gi8 n GLY 37 Ca 0.34 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1gi8 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gi8 s SER 37 N -5.44 6.42 -0.04 1.61 1.04 -1.20 -5.09 113.70 110.99 1gi8 s SER 37 Ca -0.14 0.79 0.05 0.00 0.48 0.00 0.00 55.95 57.12 1gi8 s SER 37 Cb 0.06 -2.18 -0.01 0.00 0.10 0.00 0.00 66.02 63.99 1gi8 s SER 37 CO 0.68 -0.30 -0.18 0.68 0.98 0.00 0.00 173.24 175.10 1gi8 s VAL 38 N -2.25 1.46 0.27 5.02 -7.23 -1.26 -1.12 120.40 115.28 1gi8 s VAL 38 Ca 0.45 -0.75 0.11 0.00 -1.81 0.00 0.00 61.98 59.98 1gi8 s VAL 38 Cb -0.10 -1.24 -0.05 0.00 0.56 0.00 0.00 36.38 35.54 1gi8 s VAL 38 CO 0.33 0.42 -0.17 0.42 -0.31 0.00 0.00 175.10 175.78 1gi8 s THR 39 N -0.10 2.27 0.35 5.32 -4.23 0.23 -4.87 115.64 114.60 1gi8 s THR 39 Ca -0.01 -2.34 -0.24 0.00 -1.18 0.00 0.00 61.69 57.93 1gi8 s THR 39 Cb -0.10 -2.28 -0.10 0.00 1.34 0.00 0.00 72.50 71.36 1gi8 s THR 39 CO 0.01 -0.42 0.92 -0.47 -0.54 0.00 0.00 174.62 174.12 1gi8 s TYR 40 N -2.64 3.56 0.00 3.99 5.04 -1.26 -0.31 117.35 125.74 1gi8 s TYR 40 Ca 0.29 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.59 1gi8 s TYR 40 Cb -0.03 -2.86 0.00 0.00 0.35 0.00 0.00 41.96 39.42 1gi8 s TYR 40 CO 0.13 0.12 0.00 0.28 -1.34 0.00 0.00 175.55 174.75 1gi8 n VAL 41 N 0.18 0.00 -3.97 3.14 0.31 -0.15 -4.82 118.33 113.03 1gi8 n VAL 41 Ca 0.03 0.15 -0.12 0.00 -0.01 0.00 0.00 64.34 64.39 1gi8 n VAL 41 Cb 0.51 -1.07 -0.02 0.00 -0.91 0.00 0.00 33.84 32.36 1gi8 n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gi8 n GLY 43 N -0.53 1.38 3.57 0.00 0.00 -0.42 -1.82 105.19 107.37 1gi8 n GLY 43 Ca -0.03 -2.14 -0.02 0.00 0.00 0.00 0.00 46.02 43.83 1gi8 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gi8 n GLY 44 N -2.43 0.61 3.00 -0.02 0.00 -0.11 -3.73 105.19 102.51 1gi8 n GLY 44 Ca 0.17 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1gi8 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gi8 s SER 45 N -3.29 0.53 -0.21 1.61 0.01 -0.04 -0.98 113.70 111.33 1gi8 s SER 45 Ca 0.22 -0.40 -0.21 0.00 1.31 0.00 0.00 55.95 56.86 1gi8 s SER 45 Cb -0.02 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 1gi8 s SER 45 CO 0.05 -0.17 0.66 -0.22 0.41 0.00 0.00 173.24 173.97 1gi8 s LEU 46 N -1.14 4.12 -0.21 2.44 2.96 -0.21 -0.98 118.68 125.65 1gi8 s LEU 46 Ca -0.09 0.85 -0.14 0.00 -0.22 0.00 0.00 54.13 54.53 1gi8 s LEU 46 Cb -0.08 -2.93 -0.18 0.00 0.50 0.00 0.00 46.19 43.49 1gi8 s LEU 46 CO -0.00 -0.33 0.05 0.23 -1.32 0.00 0.00 176.35 174.98 1gi8 n MET 47 N 5.29 0.62 -4.11 1.98 2.81 -0.04 -1.31 117.12 122.36 1gi8 n MET 47 Ca -0.00 0.39 -0.10 0.00 -1.81 0.00 0.00 57.70 56.18 1gi8 n MET 47 Cb 0.49 -1.65 -0.09 0.00 -0.71 0.00 0.00 33.22 31.26 1gi8 n MET 47 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1gi8 s SER 48 N -7.03 0.20 0.20 7.83 1.04 -1.18 -4.61 113.70 110.15 1gi8 s SER 48 Ca -0.31 -1.15 0.03 0.00 0.48 0.00 0.00 55.95 55.00 1gi8 s SER 48 Cb 0.09 0.36 0.54 0.00 0.10 0.00 0.00 66.02 67.10 1gi8 s SER 48 CO 0.60 -0.81 0.98 -2.65 0.98 0.00 0.00 173.24 172.35 1gi8 n PRO 49 N -0.17 -0.05 -0.14 4.02 -0.02 -1.26 -1.45 135.00 135.93 1gi8 n PRO 49 Ca -0.04 0.93 0.05 0.00 -2.02 0.00 0.00 63.50 62.42 1gi8 n PRO 49 Cb 0.64 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.74 1gi8 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gi8 s TRP 51 N -0.98 1.36 0.06 0.00 0.52 -0.53 -1.86 118.94 117.51 1gi8 s TRP 51 Ca 0.20 -0.38 0.09 0.00 0.02 0.00 0.00 56.10 56.04 1gi8 s TRP 51 Cb 0.11 -0.94 -0.03 0.00 -1.15 0.00 0.00 33.47 31.46 1gi8 s TRP 51 CO 0.14 -0.14 -0.26 0.08 0.02 0.00 0.00 176.95 176.79 1gi8 s VAL 52 N 0.14 2.13 0.09 4.03 1.01 -0.46 -0.86 120.40 126.48 1gi8 s VAL 52 Ca -0.04 -1.45 0.10 0.00 0.00 0.00 0.00 61.98 60.59 1gi8 s VAL 52 Cb -0.10 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1gi8 s VAL 52 CO 0.01 0.31 -0.26 -0.51 0.00 0.00 0.00 175.10 174.65 1gi8 s ILE 53 N -0.85 2.13 0.00 2.22 2.07 -0.16 -0.38 121.20 126.24 1gi8 s ILE 53 Ca 0.12 -1.56 0.00 0.00 -1.41 0.00 0.00 60.65 57.80 1gi8 s ILE 53 Cb -0.10 -1.86 0.00 0.00 0.13 0.00 0.00 42.46 40.63 1gi8 s ILE 53 CO 0.03 0.20 0.00 -0.24 -1.91 0.00 0.00 174.94 173.02 1gi8 n SER 54 N 1.33 0.38 -4.17 4.50 2.88 -0.21 -0.86 113.62 117.48 1gi8 n SER 54 Ca -0.18 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.04 1gi8 n SER 54 Cb 0.53 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.82 1gi8 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gi8 s ALA 55 N -1.33 2.24 0.33 -1.46 0.00 -1.26 -0.84 121.76 119.44 1gi8 s ALA 55 Ca 0.00 -1.09 0.12 0.00 0.00 0.00 0.00 51.96 50.99 1gi8 s ALA 55 Cb 0.00 -0.98 0.98 0.00 0.00 0.00 0.00 23.12 23.12 1gi8 s ALA 55 CO 0.00 -0.01 1.70 1.15 0.00 0.00 0.00 175.76 178.60 1gi8 h THR 56 N 5.82 0.43 0.00 0.00 2.02 -1.75 -0.75 112.91 118.67 1gi8 h THR 56 Ca -0.32 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1gi8 h THR 56 Cb 1.19 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1gi8 h THR 56 CO 0.55 0.08 0.00 0.00 0.37 0.00 0.00 175.52 176.52 1gi8 n HIS 57 N -4.96 0.00 0.09 3.16 1.44 -1.26 -0.90 115.22 112.78 1gi8 n HIS 57 Ca 0.29 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.95 1gi8 n HIS 57 Cb 0.86 -0.49 -0.01 0.00 0.12 0.00 0.00 29.99 30.47 1gi8 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1gi8 n PHE 59 N -3.55 0.00 -0.24 0.00 3.72 -0.48 -4.74 117.46 112.17 1gi8 n PHE 59 Ca -0.01 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1gi8 n PHE 59 Cb 0.81 -0.82 0.03 0.00 -0.94 0.00 0.00 39.48 38.56 1gi8 n PHE 59 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1gi8 n ILE 60 N -2.60 -0.33 0.24 4.37 2.08 -0.08 -0.55 119.36 122.49 1gi8 n ILE 60 Ca -0.26 1.46 0.13 0.00 0.56 0.00 0.00 62.75 64.63 1gi8 n ILE 60 Cb 1.02 -1.93 0.49 0.00 -0.75 0.00 0.00 39.64 38.47 1gi8 n ILE 60 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1gi8 h ASP 60 N 0.00 0.00 -1.85 4.38 5.19 -1.85 -3.37 116.42 118.92 1gi8 h ASP 60 Ca 0.22 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 56.10 1gi8 h ASP 60 Cb 0.37 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 39.51 1gi8 h ASP 60 CO -0.62 0.11 -1.07 0.00 -3.12 0.00 0.00 179.24 174.54 1gi8 n TYR 60 N -3.21 -0.53 -0.39 4.55 4.19 0.28 -5.01 117.16 117.03 1gi8 n TYR 60 Ca 0.01 -3.46 -0.01 0.00 3.31 0.00 0.00 57.90 57.75 1gi8 n TYR 60 Cb 0.41 -0.21 -0.01 0.00 0.49 0.00 0.00 39.34 40.01 1gi8 n TYR 60 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1gi8 n PRO 60 N 1.29 0.78 -3.25 2.98 -0.04 -1.03 -4.70 135.00 131.04 1gi8 n PRO 60 Ca 0.21 -0.08 -0.46 0.00 -0.04 0.00 0.00 63.50 63.12 1gi8 n PRO 60 Cb 0.55 -1.23 -0.02 0.00 -0.04 0.00 0.00 33.50 32.76 1gi8 n PRO 60 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1gi8 s LYS 61 N 0.72 3.68 0.30 0.54 -0.14 -1.26 -4.91 119.74 118.67 1gi8 s LYS 61 Ca 0.06 -2.42 0.04 0.00 -1.36 0.00 0.00 55.97 52.29 1gi8 s LYS 61 Cb 0.03 -4.55 0.79 0.00 -1.68 0.00 0.00 37.83 32.42 1gi8 s LYS 61 CO 0.00 -1.38 1.63 1.57 -0.76 0.00 0.00 175.35 176.41 1gi8 h LYS 62 N 7.83 0.17 0.00 1.68 2.10 -1.93 -0.36 116.57 126.06 1gi8 h LYS 62 Ca 0.13 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1gi8 h LYS 62 Cb 1.02 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1gi8 h LYS 62 CO 0.85 0.11 0.42 0.93 -2.00 0.00 0.00 179.45 179.77 1gi8 h GLU 62 N 0.17 0.00 -0.49 0.07 3.07 -1.91 -0.79 114.58 114.71 1gi8 h GLU 62 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1gi8 h GLU 62 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1gi8 h GLU 62 CO -0.70 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.66 1gi8 n ASP 63 N -2.59 3.38 -4.66 1.42 8.00 -0.15 -4.97 116.55 116.99 1gi8 n ASP 63 Ca -0.01 -1.96 -0.32 0.00 0.71 0.00 0.00 54.79 53.20 1gi8 n ASP 63 Cb 0.46 -0.32 -0.09 0.00 -0.02 0.00 0.00 41.12 41.14 1gi8 n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1gi8 s TYR 64 N -1.08 3.00 0.04 1.24 1.51 -0.30 -0.17 117.35 121.58 1gi8 s TYR 64 Ca 0.36 0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.52 1gi8 s TYR 64 Cb 0.19 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1gi8 s TYR 64 CO 0.26 0.44 -0.23 0.42 -1.11 0.00 0.00 175.55 175.32 1gi8 s ILE 65 N -1.11 1.89 -0.02 2.71 -1.09 0.02 -4.23 121.20 119.36 1gi8 s ILE 65 Ca 0.20 -1.25 0.07 0.00 -2.23 0.00 0.00 60.65 57.44 1gi8 s ILE 65 Cb -0.11 -1.62 -0.02 0.00 -1.58 0.00 0.00 42.46 39.13 1gi8 s ILE 65 CO 0.11 0.32 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.23 1gi8 s VAL 66 N -0.76 1.79 -0.00 2.92 1.01 -0.96 -0.65 120.40 123.75 1gi8 s VAL 66 Ca 0.09 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.16 1gi8 s VAL 66 Cb -0.09 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1gi8 s VAL 66 CO 0.02 0.51 -0.17 -0.31 0.00 0.00 0.00 175.10 175.14 1gi8 s TYR 67 N -0.49 1.56 0.15 5.22 2.02 -0.09 -0.75 117.35 124.96 1gi8 s TYR 67 Ca 0.08 -0.31 0.11 0.00 -0.37 0.00 0.00 57.07 56.58 1gi8 s TYR 67 Cb -0.09 -0.99 -0.04 0.00 -0.40 0.00 0.00 41.96 40.44 1gi8 s TYR 67 CO -0.00 -0.01 -0.25 -0.51 -1.57 0.00 0.00 175.55 173.21 1gi8 s LEU 68 N -0.55 2.36 -0.84 -1.29 1.43 -0.22 -1.56 118.68 118.02 1gi8 s LEU 68 Ca 0.06 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.33 1gi8 s LEU 68 Cb -0.07 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1gi8 s LEU 68 CO -0.00 0.14 0.60 0.61 0.23 0.00 0.00 176.35 177.93 1gi8 n GLY 69 N 0.68 0.04 3.38 -3.19 0.00 -1.25 -0.88 105.19 103.97 1gi8 n GLY 69 Ca -0.16 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1gi8 n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gi8 s ARG 70 N -5.61 3.43 -0.02 1.61 3.52 -1.26 -3.54 118.95 117.08 1gi8 s ARG 70 Ca 0.30 -0.64 0.20 0.00 -0.13 0.00 0.00 55.73 55.46 1gi8 s ARG 70 Cb -0.13 -2.78 -0.29 0.00 -1.56 0.00 0.00 34.95 30.19 1gi8 s ARG 70 CO 0.37 0.11 0.51 0.43 -0.81 0.00 0.00 175.30 175.92 1gi8 n SER 71 N 3.85 0.52 -4.46 -2.12 7.64 -1.26 -4.55 113.62 113.24 1gi8 n SER 71 Ca -0.18 -0.19 -0.26 0.00 1.01 0.00 0.00 58.87 59.25 1gi8 n SER 71 Cb 0.52 1.73 -0.11 0.00 -1.01 0.00 0.00 64.21 65.35 1gi8 n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1gi8 s ARG 72 N -3.28 1.65 -0.07 1.43 0.52 -1.26 -1.91 118.95 116.03 1gi8 s ARG 72 Ca -0.04 -1.52 -0.24 0.00 -0.52 0.00 0.00 55.73 53.41 1gi8 s ARG 72 Cb 0.13 -1.89 -0.19 0.00 0.52 0.00 0.00 34.95 33.52 1gi8 s ARG 72 CO 0.82 0.39 0.92 1.25 0.02 0.00 0.00 175.30 178.71 1gi8 h LEU 73 N 2.97 -0.08 -2.18 2.53 5.85 -1.35 -3.39 115.31 119.66 1gi8 h LEU 73 Ca -0.45 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 57.73 1gi8 h LEU 73 Cb 1.22 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1gi8 h LEU 73 CO 0.51 0.57 0.00 0.59 -0.34 0.00 0.00 178.44 179.77 1gi8 n ASN 74 N -4.82 2.17 -4.41 1.25 3.02 -1.26 -5.00 115.26 106.22 1gi8 n ASN 74 Ca -0.08 -1.69 -0.26 0.00 -0.03 0.00 0.00 54.58 52.52 1gi8 n ASN 74 Cb 0.30 -0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.27 1gi8 n ASN 74 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1gi8 s SER 75 N -0.83 3.30 0.81 6.41 0.01 -1.26 -5.12 113.70 117.02 1gi8 s SER 75 Ca 0.13 -0.88 -0.11 0.00 1.31 0.00 0.00 55.95 56.39 1gi8 s SER 75 Cb 0.07 -0.24 0.08 0.00 0.21 0.00 0.00 66.02 66.14 1gi8 s SER 75 CO 0.10 0.09 1.09 0.20 0.41 0.00 0.00 173.24 175.13 1gi8 s ASN 76 N -2.73 4.34 0.04 2.44 -0.87 -1.26 -4.44 114.94 112.46 1gi8 s ASN 76 Ca 0.20 1.38 0.05 0.00 -1.57 0.00 0.00 52.86 52.92 1gi8 s ASN 76 Cb -0.07 -2.11 -0.02 0.00 -0.02 0.00 0.00 41.25 39.02 1gi8 s ASN 76 CO 0.10 -2.08 -0.14 -0.89 -2.57 0.00 0.00 177.10 171.52 1gi8 s THR 77 N -3.09 1.11 0.22 1.60 2.01 -1.26 -4.83 115.64 111.39 1gi8 s THR 77 Ca 0.61 -1.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.34 1gi8 s THR 77 Cb -0.15 -1.01 -0.09 0.00 0.01 0.00 0.00 72.50 71.26 1gi8 s THR 77 CO 0.55 -0.01 0.84 -1.58 -0.69 0.00 0.00 174.62 173.74 1gi8 s GLN 78 N -1.16 4.62 0.00 4.92 2.00 -1.26 -3.32 119.66 125.45 1gi8 s GLN 78 Ca 0.01 1.25 0.00 0.00 -2.00 0.00 0.00 55.36 54.62 1gi8 s GLN 78 Cb -0.08 -3.15 0.00 0.00 0.80 0.00 0.00 33.01 30.58 1gi8 s GLN 78 CO 0.01 0.49 0.00 0.41 -0.50 0.00 0.00 175.29 175.71 1gi8 n GLY 79 N 1.31 1.99 3.72 2.59 0.00 -1.26 -5.01 105.19 108.53 1gi8 n GLY 79 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1gi8 n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gi8 s GLU 80 N -0.85 2.04 0.05 1.61 -1.05 -1.21 -4.78 118.70 114.51 1gi8 s GLU 80 Ca 0.00 1.68 0.07 0.00 -0.15 0.00 0.00 54.97 56.57 1gi8 s GLU 80 Cb 0.00 -1.83 -0.03 0.00 -0.44 0.00 0.00 34.13 31.83 1gi8 s GLU 80 CO 0.00 -1.89 -0.19 -1.64 0.95 0.00 0.00 175.26 172.48 1gi8 s MET 81 N -4.07 1.26 -0.03 -4.83 -1.94 -0.06 -4.96 119.30 104.67 1gi8 s MET 81 Ca 0.72 -0.94 0.07 0.00 -1.71 0.00 0.00 55.69 53.83 1gi8 s MET 81 Cb -0.27 -1.37 -0.02 0.00 2.01 0.00 0.00 34.83 35.18 1gi8 s MET 81 CO 0.47 0.34 -0.25 0.21 -0.01 0.00 0.00 175.02 175.79 1gi8 s LYS 82 N -1.29 2.18 0.13 2.03 2.20 -1.26 -1.05 119.74 122.68 1gi8 s LYS 82 Ca 0.06 -0.91 -0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1gi8 s LYS 82 Cb -0.09 -2.08 -0.04 0.00 -1.51 0.00 0.00 37.83 34.11 1gi8 s LYS 82 CO 0.02 0.55 0.02 -0.06 -0.36 0.00 0.00 175.35 175.52 1gi8 s PHE 83 N -0.59 0.90 0.29 4.03 0.08 0.07 -4.61 117.98 118.14 1gi8 s PHE 83 Ca 0.09 -1.13 0.07 0.00 0.12 0.00 0.00 56.93 56.08 1gi8 s PHE 83 Cb -0.10 -0.53 -0.03 0.00 -0.57 0.00 0.00 43.02 41.79 1gi8 s PHE 83 CO -0.01 -0.39 0.27 -1.21 -0.10 0.00 0.00 175.22 173.78 1gi8 s GLU 84 N -3.98 2.92 -0.38 0.44 0.41 0.05 -2.25 118.70 115.91 1gi8 s GLU 84 Ca 0.20 -1.10 -0.17 0.00 -0.41 0.00 0.00 54.97 53.49 1gi8 s GLU 84 Cb 0.07 -2.59 0.01 0.00 -1.78 0.00 0.00 34.13 29.84 1gi8 s GLU 84 CO 0.00 0.27 0.45 0.08 -0.49 0.00 0.00 175.26 175.57 1gi8 s VAL 85 N -2.18 5.07 0.01 2.63 1.01 -1.26 -1.87 120.40 123.81 1gi8 s VAL 85 Ca 0.37 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1gi8 s VAL 85 Cb -0.07 -3.97 -0.35 0.00 0.00 0.00 0.00 36.38 31.98 1gi8 s VAL 85 CO 0.26 -0.30 0.97 -0.08 0.00 0.00 0.00 175.10 175.96 1gi8 h GLU 86 N 8.60 0.50 -4.54 2.72 4.81 -0.11 -3.44 114.58 123.12 1gi8 h GLU 86 Ca -0.28 -0.85 -0.36 0.00 -0.13 0.00 0.00 59.36 57.75 1gi8 h GLU 86 Cb 1.12 0.32 -0.28 0.00 0.63 0.00 0.00 28.75 30.54 1gi8 h GLU 86 CO 0.77 1.41 -0.76 -0.80 -0.73 0.00 0.00 179.01 178.89 1gi8 s ASN 87 N -7.47 0.85 -0.28 1.04 0.01 -1.05 -4.93 114.94 103.12 1gi8 s ASN 87 Ca -0.10 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 51.90 1gi8 s ASN 87 Cb 0.03 -0.09 0.08 0.00 0.41 0.00 0.00 41.25 41.69 1gi8 s ASN 87 CO 0.92 0.07 0.02 -0.22 -1.51 0.00 0.00 177.10 176.38 1gi8 s LEU 88 N -0.28 2.91 -0.31 0.60 2.96 -1.26 -0.24 118.68 123.06 1gi8 s LEU 88 Ca 0.02 -1.52 -0.08 0.00 -0.22 0.00 0.00 54.13 52.33 1gi8 s LEU 88 Cb -0.03 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.50 1gi8 s LEU 88 CO -0.00 -0.32 0.13 -0.63 -1.32 0.00 0.00 176.35 174.20 1gi8 s ILE 89 N 1.37 4.29 0.22 6.68 1.01 0.25 -4.99 121.20 130.03 1gi8 s ILE 89 Ca 0.03 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.12 1gi8 s ILE 89 Cb -0.18 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1gi8 s ILE 89 CO -0.12 0.03 0.27 -0.76 0.00 0.00 0.00 174.94 174.35 1gi8 s LEU 90 N 1.55 4.08 -0.02 2.97 1.43 -1.26 -0.87 118.68 126.56 1gi8 s LEU 90 Ca 0.03 -0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 52.81 1gi8 s LEU 90 Cb -0.17 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1gi8 s LEU 90 CO 0.04 -0.03 0.82 -2.28 0.23 0.00 0.00 176.35 175.13 1gi8 s HIS 91 N -1.98 3.64 0.14 0.29 2.46 -1.24 -4.99 115.29 113.60 1gi8 s HIS 91 Ca 0.33 1.46 -0.30 0.00 0.47 0.00 0.00 55.06 57.02 1gi8 s HIS 91 Cb -0.09 -2.93 -0.07 0.00 -0.13 0.00 0.00 32.58 29.37 1gi8 s HIS 91 CO 0.27 0.08 0.99 -1.59 -2.47 0.00 0.00 174.74 172.02 1gi8 s LYS 92 N 0.73 4.69 0.00 2.88 0.00 -1.26 -2.92 119.74 123.87 1gi8 s LYS 92 Ca 0.43 1.51 0.00 0.00 0.00 0.00 0.00 55.97 57.91 1gi8 s LYS 92 Cb -0.19 -3.35 0.00 0.00 0.00 0.00 0.00 37.83 34.29 1gi8 s LYS 92 CO 0.23 0.22 0.00 -0.25 0.00 0.00 0.00 175.35 175.54 1gi8 n ASP 93 N 2.57 -0.54 -4.76 0.03 8.00 -1.26 -5.06 116.55 115.52 1gi8 n ASP 93 Ca 0.02 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.12 1gi8 n ASP 93 Cb 0.48 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.43 1gi8 n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1gi8 s TYR 94 N -2.00 3.88 0.05 1.24 5.04 -1.15 -4.41 117.35 120.01 1gi8 s TYR 94 Ca 0.00 1.65 -0.06 0.00 -2.44 0.00 0.00 57.07 56.22 1gi8 s TYR 94 Cb 0.00 -2.83 -0.01 0.00 0.35 0.00 0.00 41.96 39.47 1gi8 s TYR 94 CO 0.00 0.44 0.12 -1.12 -1.34 0.00 0.00 175.55 173.65 1gi8 s SER 95 N -0.84 0.18 0.01 4.32 0.01 -0.79 -4.91 113.70 111.68 1gi8 s SER 95 Ca 0.38 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 57.07 1gi8 s SER 95 Cb -0.23 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 1gi8 s SER 95 CO 0.27 -0.59 -0.10 0.00 0.41 0.00 0.00 173.24 173.23 1gi8 s ALA 96 N -3.11 0.78 0.00 1.44 0.00 -1.26 0.37 121.76 119.98 1gi8 s ALA 96 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1gi8 s ALA 96 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1gi8 s ALA 96 CO -0.07 0.15 0.00 -0.25 0.00 0.00 0.00 175.76 175.59 1gi8 n ASP 97 N 2.39 0.80 -4.04 0.00 10.43 0.23 -4.99 116.55 121.37 1gi8 n ASP 97 Ca -0.16 -0.40 -0.40 0.00 2.57 0.00 0.00 54.79 56.40 1gi8 n ASP 97 Cb 0.56 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.49 1gi8 n ASP 97 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1gi8 n THR 97 N 0.00 2.81 0.00 -3.53 -2.24 -1.26 -4.16 114.28 105.91 1gi8 n THR 97 Ca 0.00 -2.66 0.00 0.00 -2.27 0.00 0.00 64.05 59.12 1gi8 n THR 97 Cb 0.00 -2.39 0.00 0.00 -2.10 0.00 0.00 70.33 65.84 1gi8 n THR 97 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gi8 n LEU 97 N 8.50 0.00 -4.86 3.22 4.77 -1.26 -5.12 117.00 122.25 1gi8 n LEU 97 Ca 0.49 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 56.17 1gi8 n LEU 97 Cb 0.42 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1gi8 n LEU 97 CO 0.87 0.00 0.59 0.00 -1.33 0.00 0.00 177.39 177.52 1gi8 s ALA 98 N 0.00 3.20 -0.11 -1.18 0.00 -1.26 -4.76 121.76 117.65 1gi8 s ALA 98 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.93 1gi8 s ALA 98 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1gi8 s ALA 98 CO 0.00 -0.27 -0.23 -1.01 0.00 0.00 0.00 175.76 174.26 1gi8 s HIS 99 N -2.67 2.51 0.01 0.00 3.76 -1.26 -0.61 115.29 117.04 1gi8 s HIS 99 Ca 0.54 -1.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1gi8 s HIS 99 Cb -0.10 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 31.86 1gi8 s HIS 99 CO 0.37 -0.46 0.04 -1.01 -0.85 0.00 0.00 174.74 172.84 1gi8 s HIS 100 N 0.49 3.18 -1.31 1.40 3.76 0.16 -4.52 115.29 118.44 1gi8 s HIS 100 Ca -0.16 0.13 -0.09 0.00 -0.15 0.00 0.00 55.06 54.79 1gi8 s HIS 100 Cb -0.17 -1.69 0.00 0.00 1.11 0.00 0.00 32.58 31.83 1gi8 s HIS 100 CO 0.06 0.51 0.55 0.09 -0.85 0.00 0.00 174.74 175.09 1gi8 n ASN 101 N 1.16 -2.11 -4.14 1.40 3.02 -1.26 -1.88 115.26 111.44 1gi8 n ASN 101 Ca -0.13 -1.04 -0.43 0.00 -0.03 0.00 0.00 54.58 52.95 1gi8 n ASN 101 Cb 0.53 -3.04 0.00 0.00 -0.61 0.00 0.00 39.78 36.66 1gi8 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1gi8 n ASP 102 N -2.83 5.58 -3.90 6.41 2.03 -1.26 -4.56 116.55 118.02 1gi8 n ASP 102 Ca -0.23 -3.15 -0.11 0.00 0.52 0.00 0.00 54.79 51.82 1gi8 n ASP 102 Cb 0.65 -1.42 -0.11 0.00 -0.72 0.00 0.00 41.12 39.52 1gi8 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1gi8 s ILE 103 N -0.56 0.07 0.03 5.18 2.07 -1.26 -4.31 121.20 122.43 1gi8 s ILE 103 Ca 0.36 -0.61 -0.07 0.00 -1.41 0.00 0.00 60.65 58.92 1gi8 s ILE 103 Cb 0.01 -0.31 -0.00 0.00 0.13 0.00 0.00 42.46 42.29 1gi8 s ILE 103 CO 0.01 -0.34 0.13 0.00 -1.91 0.00 0.00 174.94 172.84 1gi8 s ALA 104 N -1.09 -0.19 0.00 1.50 0.00 -0.02 -3.56 121.76 118.40 1gi8 s ALA 104 Ca -0.12 -0.41 0.07 0.00 0.00 0.00 0.00 51.96 51.50 1gi8 s ALA 104 Cb -0.07 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1gi8 s ALA 104 CO 0.00 -0.32 -0.22 -0.51 0.00 0.00 0.00 175.76 174.71 1gi8 s LEU 105 N -2.02 2.09 -0.10 0.00 1.43 -0.05 -1.04 118.68 118.99 1gi8 s LEU 105 Ca -0.06 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1gi8 s LEU 105 Cb -0.02 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 45.10 1gi8 s LEU 105 CO -0.04 0.24 -0.12 -0.76 0.23 0.00 0.00 176.35 175.91 1gi8 s LEU 106 N -0.76 1.55 -0.10 1.79 1.02 0.49 -0.59 118.68 122.09 1gi8 s LEU 106 Ca 0.09 -0.36 -0.12 0.00 0.02 0.00 0.00 54.13 53.75 1gi8 s LEU 106 Cb -0.09 -0.95 -0.05 0.00 0.02 0.00 0.00 46.19 45.12 1gi8 s LEU 106 CO 0.00 -0.02 0.28 -0.75 0.02 0.00 0.00 176.35 175.88 1gi8 s LYS 107 N 1.13 3.92 0.19 1.70 2.20 0.66 -1.36 119.74 128.18 1gi8 s LYS 107 Ca -0.05 0.12 0.08 0.00 -0.36 0.00 0.00 55.97 55.77 1gi8 s LYS 107 Cb -0.14 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1gi8 s LYS 107 CO -0.03 0.53 -0.05 0.96 -0.36 0.00 0.00 175.35 176.40 1gi8 s ILE 108 N -0.43 3.38 -0.11 5.43 -4.36 -0.77 0.62 121.20 124.96 1gi8 s ILE 108 Ca 0.18 -1.63 -0.12 0.00 -0.26 0.00 0.00 60.65 58.83 1gi8 s ILE 108 Cb -0.14 -2.70 0.03 0.00 1.25 0.00 0.00 42.46 40.90 1gi8 s ILE 108 CO 0.07 -0.15 0.32 -0.60 0.24 0.00 0.00 174.94 174.82 1gi8 s ARG 109 N -2.98 0.41 0.52 0.37 3.52 -0.78 -4.74 118.95 115.26 1gi8 s ARG 109 Ca 0.27 0.38 0.03 0.00 -0.13 0.00 0.00 55.73 56.27 1gi8 s ARG 109 Cb -0.09 0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.53 1gi8 s ARG 109 CO 0.17 -0.06 0.72 -1.54 -0.81 0.00 0.00 175.30 173.78 1gi8 s SER 110 N 0.00 5.37 0.35 -2.12 1.04 0.12 -0.77 113.70 117.69 1gi8 s SER 110 Ca -0.02 -0.12 0.21 0.00 0.48 0.00 0.00 55.95 56.50 1gi8 s SER 110 Cb -0.03 -0.81 1.16 0.00 0.10 0.00 0.00 66.02 66.44 1gi8 s SER 110 CO 0.01 -1.05 1.63 0.07 0.98 0.00 0.00 173.24 174.88 1gi8 h LYS 110 N 0.22 0.00 0.00 4.02 2.10 -1.90 0.43 116.57 121.44 1gi8 h LYS 110 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1gi8 h LYS 110 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1gi8 h LYS 110 CO 0.50 0.00 -0.87 0.39 -2.00 0.00 0.00 179.45 177.47 1gi8 n GLU 110 N -2.27 0.13 -0.54 0.07 4.71 -1.26 -4.95 120.64 116.53 1gi8 n GLU 110 Ca -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1gi8 n GLU 110 Cb 0.10 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 1gi8 n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gi8 n GLY 110 N 1.44 1.39 3.61 0.62 0.00 0.15 -5.09 105.19 107.31 1gi8 n GLY 110 Ca 0.03 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 1gi8 n GLY 110 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gi8 s ARG 110 N -1.66 1.94 0.02 1.61 1.70 -1.26 -4.76 118.95 116.55 1gi8 s ARG 110 Ca 0.00 -2.13 0.00 0.00 -0.47 0.00 0.00 55.73 53.13 1gi8 s ARG 110 Cb 0.00 -1.44 0.00 0.00 -0.57 0.00 0.00 34.95 32.94 1gi8 s ARG 110 CO 0.00 -0.15 0.02 0.00 -1.08 0.00 0.00 175.30 174.09 1gi8 s ALA 112 N -2.03 2.37 0.10 0.00 0.00 0.49 -4.90 121.76 117.80 1gi8 s ALA 112 Ca 0.02 1.21 0.10 0.00 0.00 0.00 0.00 51.96 53.29 1gi8 s ALA 112 Cb -0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1gi8 s ALA 112 CO 0.01 -1.60 -0.27 -0.65 0.00 0.00 0.00 175.76 173.25 1gi8 s GLN 113 N -3.39 1.52 0.34 0.00 -1.52 -1.26 -4.80 119.66 110.55 1gi8 s GLN 113 Ca 0.82 -1.28 -0.26 0.00 -1.95 0.00 0.00 55.36 52.70 1gi8 s GLN 113 Cb -0.37 -1.92 -0.10 0.00 -0.22 0.00 0.00 33.01 30.40 1gi8 s GLN 113 CO 0.40 0.47 0.99 -2.14 -0.25 0.00 0.00 175.29 174.75 1gi8 s PRO 114 N -1.82 4.48 0.00 2.91 0.02 -1.26 -4.83 135.00 134.51 1gi8 s PRO 114 Ca 0.13 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.57 1gi8 s PRO 114 Cb -0.10 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.65 1gi8 s PRO 114 CO 0.05 0.17 0.00 -1.13 -0.33 0.00 0.00 177.00 175.75 1gi8 n SER 115 N 0.46 0.00 -0.20 2.53 3.41 -0.92 -4.95 113.62 113.95 1gi8 n SER 115 Ca 0.02 -0.76 0.14 0.00 -0.26 0.00 0.00 58.87 58.02 1gi8 n SER 115 Cb 0.49 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 65.08 1gi8 n SER 115 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1gi8 n ARG 116 N 0.00 1.03 0.00 4.33 1.85 -1.26 -3.54 116.66 119.08 1gi8 n ARG 116 Ca 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 57.85 56.44 1gi8 n ARG 116 Cb 0.00 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 1gi8 n ARG 116 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1gi8 n THR 117 N -0.63 0.26 -3.70 8.89 -2.24 -1.26 -4.62 114.28 110.99 1gi8 n THR 117 Ca 0.18 -0.51 -0.25 0.00 -2.27 0.00 0.00 64.05 61.19 1gi8 n THR 117 Cb 0.27 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.35 1gi8 n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1gi8 s ILE 118 N -0.26 0.23 0.08 2.28 1.01 -1.23 -3.78 121.20 119.53 1gi8 s ILE 118 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 1gi8 s ILE 118 Cb 0.00 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 1gi8 s ILE 118 CO 0.00 -0.05 0.12 -1.58 0.00 0.00 0.00 174.94 173.43 1gi8 s GLN 119 N 2.01 0.79 0.38 2.79 2.00 -0.11 -2.16 119.66 125.36 1gi8 s GLN 119 Ca 0.02 -1.07 0.03 0.00 -2.00 0.00 0.00 55.36 52.34 1gi8 s GLN 119 Cb -0.15 0.30 -0.01 0.00 0.80 0.00 0.00 33.01 33.95 1gi8 s GLN 119 CO -0.07 -0.23 0.56 0.95 -0.50 0.00 0.00 175.29 176.00 1gi8 s THR 120 N -3.89 4.30 0.26 -0.34 -4.23 -1.26 -2.87 115.64 107.61 1gi8 s THR 120 Ca 0.07 -0.70 0.08 0.00 -1.18 0.00 0.00 61.69 59.96 1gi8 s THR 120 Cb 0.06 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 1gi8 s THR 120 CO -0.10 -0.31 0.15 -0.51 -0.54 0.00 0.00 174.62 173.32 1gi8 s ILE 121 N -2.34 4.09 0.28 2.99 1.10 -0.43 -4.84 121.20 122.06 1gi8 s ILE 121 Ca 0.45 -1.53 -0.07 0.00 -0.51 0.00 0.00 60.65 58.98 1gi8 s ILE 121 Cb -0.10 -3.24 -0.06 0.00 0.15 0.00 0.00 42.46 39.22 1gi8 s ILE 121 CO 0.35 -0.34 0.57 0.00 -2.11 0.00 0.00 174.94 173.41 1gi8 s LEU 123 N -3.38 4.22 0.93 0.00 2.01 -1.26 -0.51 118.68 120.69 1gi8 s LEU 123 Ca 0.46 0.25 -0.15 0.00 0.01 0.00 0.00 54.13 54.70 1gi8 s LEU 123 Cb -0.11 -3.05 0.18 0.00 0.01 0.00 0.00 46.19 43.22 1gi8 s LEU 123 CO 0.28 -0.11 1.28 -2.16 1.01 0.00 0.00 176.35 176.65 1gi8 s PRO 124 N -3.85 0.91 0.26 1.29 0.04 -1.26 -4.84 135.00 127.54 1gi8 s PRO 124 Ca 0.36 -0.35 0.03 0.00 0.04 0.00 0.00 61.00 61.08 1gi8 s PRO 124 Cb -0.10 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1gi8 s PRO 124 CO 0.31 -2.23 0.41 -1.54 0.04 0.00 0.00 177.00 173.98 1gi8 s SER 125 N -4.83 6.32 -0.40 6.66 1.04 -1.26 -4.97 113.70 116.26 1gi8 s SER 125 Ca 0.72 0.23 -0.38 0.00 0.48 0.00 0.00 55.95 56.99 1gi8 s SER 125 Cb -0.05 -1.93 -0.16 0.00 0.10 0.00 0.00 66.02 63.98 1gi8 s SER 125 CO 0.52 -0.12 1.29 0.23 0.98 0.00 0.00 173.24 176.14 1gi8 n MET 126 N -1.34 0.00 -4.25 4.02 2.81 -1.26 -0.68 117.12 116.41 1gi8 n MET 126 Ca -0.07 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.45 1gi8 n MET 126 Cb 0.56 -1.21 -0.06 0.00 -0.71 0.00 0.00 33.22 31.81 1gi8 n MET 126 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1gi8 n TYR 127 N 3.25 -1.41 -3.80 2.03 4.01 -0.97 -4.93 117.16 115.34 1gi8 n TYR 127 Ca 0.25 0.66 -0.37 0.00 -0.16 0.00 0.00 57.90 58.28 1gi8 n TYR 127 Cb -0.05 -2.14 -0.13 0.00 -0.31 0.00 0.00 39.34 36.72 1gi8 n TYR 127 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1gi8 s ASN 128 N -3.14 4.98 0.24 7.72 2.47 0.14 -5.05 114.94 122.31 1gi8 s ASN 128 Ca 0.73 -0.79 0.10 0.00 0.42 0.00 0.00 52.86 53.33 1gi8 s ASN 128 Cb -0.42 -1.83 -0.05 0.00 -1.45 0.00 0.00 41.25 37.50 1gi8 s ASN 128 CO 0.90 -0.19 -0.18 -1.81 -3.72 0.00 0.00 177.10 172.10 1gi8 s ASP 129 N 1.45 3.09 0.98 -4.21 1.01 -1.26 -4.41 116.67 113.31 1gi8 s ASP 129 Ca 0.02 -1.01 -0.12 0.00 0.71 0.00 0.00 52.55 52.15 1gi8 s ASP 129 Cb -0.17 -0.22 0.18 0.00 1.01 0.00 0.00 42.92 43.71 1gi8 s ASP 129 CO 0.01 -0.05 1.08 -2.84 0.21 0.00 0.00 175.17 173.58 1gi8 s PRO 130 N -3.48 0.60 0.29 8.23 0.02 -1.26 -5.03 135.00 134.36 1gi8 s PRO 130 Ca 0.25 0.85 -0.10 0.00 0.02 0.00 0.00 61.00 62.03 1gi8 s PRO 130 Cb -0.03 -1.73 -0.07 0.00 0.02 0.00 0.00 34.50 32.69 1gi8 s PRO 130 CO 0.11 -2.71 0.62 -1.14 -0.33 0.00 0.00 177.00 173.55 1gi8 s GLN 131 N -4.80 3.80 0.52 5.54 0.74 -1.26 -5.00 119.66 119.20 1gi8 s GLN 131 Ca 0.65 0.32 -0.22 0.00 0.05 0.00 0.00 55.36 56.16 1gi8 s GLN 131 Cb -0.20 -2.57 -0.07 0.00 1.10 0.00 0.00 33.01 31.27 1gi8 s GLN 131 CO 0.59 0.21 1.16 1.97 -0.55 0.00 0.00 175.29 178.68 1gi8 n PHE 132 N -0.52 1.63 0.00 1.67 -1.74 -1.26 -2.02 117.46 115.22 1gi8 n PHE 132 Ca 0.01 0.47 0.00 0.00 -0.56 0.00 0.00 57.45 57.36 1gi8 n PHE 132 Cb 0.53 -2.27 0.00 0.00 1.52 0.00 0.00 39.48 39.26 1gi8 n PHE 132 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1gi8 n GLY 133 N 1.00 2.54 3.65 4.97 0.00 0.37 -4.95 105.19 112.77 1gi8 n GLY 133 Ca 0.11 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1gi8 n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1gi8 n THR 134 N 0.00 2.66 -3.76 2.61 -1.04 -0.86 -4.55 114.28 109.35 1gi8 n THR 134 Ca 0.00 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.16 1gi8 n THR 134 Cb 0.00 -1.32 -0.08 0.00 -1.82 0.00 0.00 70.33 67.11 1gi8 n THR 134 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1gi8 s SER 135 N -0.72 6.24 0.32 8.00 0.01 -1.26 -1.09 113.70 125.19 1gi8 s SER 135 Ca 0.64 0.27 0.04 0.00 1.31 0.00 0.00 55.95 58.21 1gi8 s SER 135 Cb -0.52 -2.09 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 1gi8 s SER 135 CO 0.56 0.22 0.05 0.00 0.41 0.00 0.00 173.24 174.48 1gi8 s GLU 137 N -3.89 1.57 0.16 0.00 -1.05 0.32 -0.75 118.70 115.06 1gi8 s GLU 137 Ca 0.36 -1.24 0.10 0.00 -0.15 0.00 0.00 54.97 54.04 1gi8 s GLU 137 Cb 0.08 -1.92 -0.04 0.00 -0.44 0.00 0.00 34.13 31.81 1gi8 s GLU 137 CO 0.15 0.47 -0.21 0.96 0.95 0.00 0.00 175.26 177.58 1gi8 s ILE 138 N -0.95 2.02 0.10 1.83 -4.36 -0.87 -0.46 121.20 118.50 1gi8 s ILE 138 Ca 0.13 -1.88 -0.05 0.00 -0.26 0.00 0.00 60.65 58.59 1gi8 s ILE 138 Cb -0.10 -1.90 -0.02 0.00 1.25 0.00 0.00 42.46 41.68 1gi8 s ILE 138 CO 0.04 -0.17 0.11 0.28 0.24 0.00 0.00 174.94 175.44 1gi8 s THR 139 N -1.70 0.15 0.00 8.37 -1.32 -1.23 -2.05 115.64 117.85 1gi8 s THR 139 Ca 0.16 -1.54 0.00 0.00 -1.21 0.00 0.00 61.69 59.09 1gi8 s THR 139 Cb -0.07 -1.60 0.00 0.00 -1.51 0.00 0.00 72.50 69.31 1gi8 s THR 139 CO 0.07 -0.67 0.00 0.61 -2.21 0.00 0.00 174.62 172.42 1gi8 n GLY 140 N -0.04 -0.03 1.36 6.08 0.00 -0.72 -4.57 105.19 107.27 1gi8 n GLY 140 Ca -0.12 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 1gi8 n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gi8 n PHE 141 N -1.00 1.43 -2.25 1.61 3.72 -1.26 -2.20 117.46 117.52 1gi8 n PHE 141 Ca 0.00 -1.71 -0.26 0.00 -0.05 0.00 0.00 57.45 55.43 1gi8 n PHE 141 Cb 0.00 -0.57 0.10 0.00 -0.94 0.00 0.00 39.48 38.07 1gi8 n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1gi8 s GLY 142 N -2.43 1.73 0.66 1.37 0.00 -1.25 -4.26 107.32 103.14 1gi8 s GLY 142 Ca 0.47 -1.20 -0.17 0.00 0.00 0.00 0.00 44.72 43.82 1gi8 s GLY 142 CO 0.01 -0.67 0.16 0.28 0.00 0.00 0.00 173.10 172.88 1gi8 n LYS 143 N -3.08 0.21 -0.01 2.90 5.02 -0.18 -2.11 118.16 120.92 1gi8 n LYS 143 Ca 0.11 0.09 0.10 0.00 -2.02 0.00 0.00 58.31 56.59 1gi8 n LYS 143 Cb 0.60 -1.44 -0.14 0.00 -0.02 0.00 0.00 35.03 34.03 1gi8 n LYS 143 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1gi8 n GLU 144 N 0.49 0.61 -3.72 1.97 1.02 -1.26 0.18 120.64 119.94 1gi8 n GLU 144 Ca 0.08 -0.12 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 1gi8 n GLU 144 Cb 0.49 -1.45 -0.09 0.00 -0.02 0.00 0.00 31.44 30.37 1gi8 n GLU 144 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gi8 s ALA 145 N -3.20 -1.05 0.46 0.62 0.00 -1.26 -4.44 121.76 112.89 1gi8 s ALA 145 Ca -0.03 1.04 0.13 0.00 0.00 0.00 0.00 51.96 53.11 1gi8 s ALA 145 Cb 0.13 -0.51 1.06 0.00 0.00 0.00 0.00 23.12 23.81 1gi8 s ALA 145 CO 0.81 -0.22 2.05 0.77 0.00 0.00 0.00 175.76 179.17 1gi8 h SER 146 N 5.00 0.28 0.80 0.00 0.02 -1.91 -1.80 113.55 115.94 1gi8 h SER 146 Ca -0.28 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1gi8 h SER 146 Cb 1.18 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1gi8 h SER 146 CO 0.28 0.19 0.00 0.35 -1.14 0.00 0.00 176.83 176.51 1gi8 n THR 147 N -4.48 0.17 -1.64 -2.27 -2.24 -1.26 -4.85 114.28 97.71 1gi8 n THR 147 Ca 0.05 0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.54 1gi8 n THR 147 Cb 0.23 -0.59 0.06 0.00 -2.10 0.00 0.00 70.33 67.92 1gi8 n THR 147 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1gi8 s ASP 148 N -2.88 5.01 0.00 3.42 1.01 -0.68 -4.94 116.67 117.61 1gi8 s ASP 148 Ca 0.16 1.93 0.00 0.00 0.71 0.00 0.00 52.55 55.35 1gi8 s ASP 148 Cb 0.18 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1gi8 s ASP 148 CO 0.46 -1.70 0.77 0.00 0.21 0.00 0.00 175.17 174.92 1gi8 n TYR 149 N -2.70 0.00 -4.38 4.23 4.11 -1.26 -4.98 117.16 112.17 1gi8 n TYR 149 Ca 0.10 -0.30 -0.19 0.00 -0.00 0.00 0.00 57.90 57.51 1gi8 n TYR 149 Cb 0.52 -0.03 -0.10 0.00 -0.00 0.00 0.00 39.34 39.73 1gi8 n TYR 149 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1gi8 s LEU 150 N -0.59 2.41 0.15 -3.48 2.01 -1.26 -5.16 118.68 112.76 1gi8 s LEU 150 Ca 0.00 -1.17 0.05 0.00 0.01 0.00 0.00 54.13 53.02 1gi8 s LEU 150 Cb 0.00 -0.52 -0.04 0.00 0.01 0.00 0.00 46.19 45.64 1gi8 s LEU 150 CO 0.00 -0.37 0.09 -0.31 1.01 0.00 0.00 176.35 176.77 1gi8 s TYR 151 N -3.14 3.07 0.96 0.29 2.02 -1.26 -4.68 117.35 114.61 1gi8 s TYR 151 Ca 0.28 -0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 56.83 1gi8 s TYR 151 Cb 0.04 -1.50 0.17 0.00 -0.40 0.00 0.00 41.96 40.27 1gi8 s TYR 151 CO 0.10 0.52 1.10 -1.25 -1.57 0.00 0.00 175.55 174.45 1gi8 s PRO 152 N -2.93 0.72 0.04 -1.71 0.04 -1.26 -4.94 135.00 124.96 1gi8 s PRO 152 Ca 0.30 1.23 0.22 0.00 0.04 0.00 0.00 61.00 62.78 1gi8 s PRO 152 Cb -0.10 -1.72 -0.23 0.00 0.04 0.00 0.00 34.50 32.49 1gi8 s PRO 152 CO 0.22 -2.73 0.65 0.39 0.04 0.00 0.00 177.00 175.57 1gi8 n GLU 153 N -4.27 0.63 -4.37 4.56 -0.58 -1.26 -4.71 120.64 110.65 1gi8 n GLU 153 Ca 0.09 -0.10 -0.35 0.00 -0.42 0.00 0.00 57.16 56.38 1gi8 n GLU 153 Cb 0.53 -1.61 -0.10 0.00 -0.57 0.00 0.00 31.44 29.69 1gi8 n GLU 153 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1gi8 s GLN 154 N -3.47 3.02 0.55 3.49 2.00 -1.26 -1.00 119.66 123.00 1gi8 s GLN 154 Ca -0.06 -0.41 -0.21 0.00 -2.00 0.00 0.00 55.36 52.68 1gi8 s GLN 154 Cb 0.13 -2.80 -0.04 0.00 0.80 0.00 0.00 33.01 31.09 1gi8 s GLN 154 CO 0.87 0.68 1.32 -1.17 -0.50 0.00 0.00 175.29 176.49 1gi8 s LEU 155 N -0.81 3.82 0.28 3.68 2.96 -0.80 -4.86 118.68 122.94 1gi8 s LEU 155 Ca 0.12 2.67 0.06 0.00 -0.22 0.00 0.00 54.13 56.76 1gi8 s LEU 155 Cb -0.11 -4.34 -0.06 0.00 0.50 0.00 0.00 46.19 42.18 1gi8 s LEU 155 CO 0.02 -1.57 -0.03 -0.54 -1.32 0.00 0.00 176.35 172.91 1gi8 s LYS 156 N -2.98 1.54 0.08 1.98 1.02 -0.93 -0.55 119.74 119.90 1gi8 s LYS 156 Ca 0.73 -1.79 -0.13 0.00 0.02 0.00 0.00 55.97 54.79 1gi8 s LYS 156 Cb -0.38 -1.04 0.02 0.00 -0.52 0.00 0.00 37.83 35.91 1gi8 s LYS 156 CO 0.44 -0.02 0.31 1.41 -0.92 0.00 0.00 175.35 176.57 1gi8 s MET 157 N -3.77 0.91 0.29 1.68 -2.45 -0.92 -1.76 119.30 113.28 1gi8 s MET 157 Ca 0.30 -0.69 -0.20 0.00 -1.25 0.00 0.00 55.69 53.85 1gi8 s MET 157 Cb 0.05 0.39 0.03 0.00 1.25 0.00 0.00 34.83 36.54 1gi8 s MET 157 CO 0.12 -0.31 0.74 -0.08 1.05 0.00 0.00 175.02 176.53 1gi8 s THR 158 N -3.32 0.00 -0.04 10.11 -1.32 -0.87 -1.64 115.64 118.56 1gi8 s THR 158 Ca 0.00 -0.99 0.07 0.00 -1.21 0.00 0.00 61.69 59.56 1gi8 s THR 158 Cb 0.02 -2.13 -0.02 0.00 -1.51 0.00 0.00 72.50 68.86 1gi8 s THR 158 CO -0.08 0.00 -0.24 -0.69 -2.21 0.00 0.00 174.62 171.40 1gi8 s VAL 159 N -3.67 2.20 0.09 5.08 1.01 -1.26 -2.06 120.40 121.79 1gi8 s VAL 159 Ca 0.12 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1gi8 s VAL 159 Cb -0.06 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1gi8 s VAL 159 CO 0.08 0.58 -0.06 0.54 0.00 0.00 0.00 175.10 176.23 1gi8 s VAL 160 N -0.48 0.63 0.12 2.92 0.11 0.07 -4.89 120.40 118.89 1gi8 s VAL 160 Ca 0.06 -1.82 0.05 0.00 -2.93 0.00 0.00 61.98 57.34 1gi8 s VAL 160 Cb -0.11 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 1gi8 s VAL 160 CO 0.01 -0.82 0.05 -0.54 -3.33 0.00 0.00 175.10 170.46 1gi8 s LYS 161 N -3.56 2.67 0.19 1.54 1.02 -0.24 0.09 119.74 121.45 1gi8 s LYS 161 Ca 0.09 -0.86 -0.27 0.00 0.02 0.00 0.00 55.97 54.95 1gi8 s LYS 161 Cb 0.04 -2.57 -0.08 0.00 -0.52 0.00 0.00 37.83 34.69 1gi8 s LYS 161 CO -0.05 0.52 0.83 -0.51 -0.92 0.00 0.00 175.35 175.22 1gi8 s LEU 162 N -2.62 4.61 0.32 3.17 1.43 -0.25 -1.33 118.68 124.02 1gi8 s LEU 162 Ca 0.28 1.75 0.10 0.00 -1.03 0.00 0.00 54.13 55.23 1gi8 s LEU 162 Cb -0.11 -3.40 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 1gi8 s LEU 162 CO 0.20 0.19 -0.09 0.27 0.23 0.00 0.00 176.35 177.16 1gi8 s ILE 163 N -1.15 2.51 0.86 -0.59 -4.36 -0.90 -0.47 121.20 117.10 1gi8 s ILE 163 Ca 0.37 -2.17 -0.13 0.00 -0.26 0.00 0.00 60.65 58.46 1gi8 s ILE 163 Cb -0.24 -2.61 0.12 0.00 1.25 0.00 0.00 42.46 40.98 1gi8 s ILE 163 CO 0.28 -0.27 1.22 -0.94 0.24 0.00 0.00 174.94 175.47 1gi8 s SER 164 N -3.62 4.03 0.11 4.36 1.04 -1.26 -4.49 113.70 113.86 1gi8 s SER 164 Ca 0.32 0.57 -0.09 0.00 0.48 0.00 0.00 55.95 57.23 1gi8 s SER 164 Cb -0.01 -0.91 -0.15 0.00 0.10 0.00 0.00 66.02 65.05 1gi8 s SER 164 CO 0.17 -2.18 1.26 0.45 0.98 0.00 0.00 173.24 173.92 1gi8 h HIS 165 N -1.23 0.81 -0.46 5.02 -0.00 -1.97 -2.10 115.15 115.21 1gi8 h HIS 165 Ca -0.45 -0.44 0.09 0.00 -0.00 0.00 0.00 60.37 59.57 1gi8 h HIS 165 Cb 1.29 -0.09 -0.09 0.00 -0.00 0.00 0.00 27.41 28.53 1gi8 h HIS 165 CO -0.21 1.26 -0.09 -0.09 -0.00 0.00 0.00 177.93 178.80 1gi8 h ARG 166 N 0.31 0.02 -0.30 2.45 9.65 -1.96 0.47 114.38 125.01 1gi8 h ARG 166 Ca -0.10 -0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.73 1gi8 h ARG 166 Cb 1.63 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.19 1gi8 h ARG 166 CO 0.18 0.01 -0.01 1.49 2.80 0.00 0.00 179.97 184.45 1gi8 h GLU 167 N 0.02 0.54 0.00 0.20 4.81 -1.92 -3.15 114.58 115.09 1gi8 h GLU 167 Ca 0.22 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1gi8 h GLU 167 Cb 0.34 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1gi8 h GLU 167 CO -0.46 0.69 -0.18 0.00 -0.73 0.00 0.00 179.01 178.33 1gi8 n GLN 169 N -3.37 3.60 -2.15 0.00 6.02 0.16 -1.46 117.38 120.18 1gi8 n GLN 169 Ca -0.00 -2.57 -0.37 0.00 -0.01 0.00 0.00 57.00 54.05 1gi8 n GLN 169 Cb 0.39 -1.89 0.00 0.00 1.02 0.00 0.00 30.24 29.77 1gi8 n GLN 169 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1gi8 s GLN 170 N -1.94 3.65 0.55 -1.09 -0.21 -1.12 -3.53 119.66 115.97 1gi8 s GLN 170 Ca 0.46 1.89 0.29 0.00 0.02 0.00 0.00 55.36 58.02 1gi8 s GLN 170 Cb 0.30 -2.41 1.46 0.00 1.00 0.00 0.00 33.01 33.36 1gi8 s GLN 170 CO 0.20 -0.67 1.93 -1.00 -2.12 0.00 0.00 175.29 173.64 1gi8 h PRO 170 N 1.99 0.00 -0.11 2.91 0.13 -1.92 0.17 132.00 135.16 1gi8 h PRO 170 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1gi8 h PRO 170 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1gi8 h PRO 170 CO 0.60 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.98 1gi8 n HIS 170 N -4.16 0.14 0.00 1.56 1.44 -1.26 -4.46 115.22 108.48 1gi8 n HIS 170 Ca 0.13 -0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 1gi8 n HIS 170 Cb 0.76 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.87 1gi8 n HIS 170 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1gi8 n TYR 171 N 0.22 0.00 0.07 -1.40 4.02 0.55 -4.88 117.16 115.74 1gi8 n TYR 171 Ca 0.17 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.08 1gi8 n TYR 171 Cb 0.32 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.68 1gi8 n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1gi8 n TYR 172 N 0.00 0.07 -4.00 -0.72 4.01 -0.53 -4.95 117.16 111.04 1gi8 n TYR 172 Ca 0.00 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1gi8 n TYR 172 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1gi8 n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gi8 n GLY 173 N 0.09 1.14 0.64 2.72 0.00 -1.00 -2.08 105.19 106.69 1gi8 n GLY 173 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1gi8 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gi8 n SER 174 N -2.89 1.50 0.15 1.61 3.41 -1.26 -3.67 113.62 112.47 1gi8 n SER 174 Ca 0.00 -2.03 0.03 0.00 -0.26 0.00 0.00 58.87 56.61 1gi8 n SER 174 Cb 0.00 -0.51 0.10 0.00 -0.26 0.00 0.00 64.21 63.54 1gi8 n SER 174 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1gi8 h GLU 175 N 0.11 0.00 -5.63 4.33 4.39 -1.81 -3.42 114.58 112.54 1gi8 h GLU 175 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 1gi8 h GLU 175 Cb 0.64 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.20 1gi8 h GLU 175 CO 0.02 0.47 -0.27 0.08 -1.16 0.00 0.00 179.01 178.15 1gi8 s VAL 176 N -3.10 5.25 0.29 3.13 1.01 -1.24 -4.76 120.40 120.99 1gi8 s VAL 176 Ca 0.03 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1gi8 s VAL 176 Cb 0.08 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1gi8 s VAL 176 CO 0.73 0.41 0.18 0.35 0.00 0.00 0.00 175.10 176.77 1gi8 n THR 177 N 3.30 0.00 1.72 3.92 -2.24 -1.26 -5.00 114.28 114.72 1gi8 n THR 177 Ca -0.11 -1.20 0.15 0.00 -2.27 0.00 0.00 64.05 60.62 1gi8 n THR 177 Cb 0.52 -0.16 0.85 0.00 -2.10 0.00 0.00 70.33 69.44 1gi8 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1gi8 n THR 178 N -1.11 0.01 -0.86 4.28 -2.24 -1.26 -2.48 114.28 110.61 1gi8 n THR 178 Ca -0.03 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.83 1gi8 n THR 178 Cb 0.34 -0.51 0.35 0.00 -2.10 0.00 0.00 70.33 68.41 1gi8 n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1gi8 n LYS 179 N -1.13 4.13 -4.22 -0.78 4.01 -1.26 -4.89 118.16 114.03 1gi8 n LYS 179 Ca 0.19 -3.00 -0.13 0.00 -0.51 0.00 0.00 58.31 54.86 1gi8 n LYS 179 Cb 0.17 -2.06 -0.10 0.00 -0.51 0.00 0.00 35.03 32.52 1gi8 n LYS 179 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1gi8 s MET 180 N -2.57 0.98 0.05 1.97 -1.94 -1.04 -1.49 119.30 115.25 1gi8 s MET 180 Ca 0.50 -1.41 0.03 0.00 -1.71 0.00 0.00 55.69 53.10 1gi8 s MET 180 Cb 0.37 -0.43 -0.02 0.00 2.01 0.00 0.00 34.83 36.76 1gi8 s MET 180 CO 0.16 0.02 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.58 1gi8 s LEU 181 N -3.12 2.25 0.01 -0.03 1.43 -0.46 -4.72 118.68 114.04 1gi8 s LEU 181 Ca 0.15 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 1gi8 s LEU 181 Cb 0.04 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.97 1gi8 s LEU 181 CO -0.01 -0.16 -0.24 0.00 0.23 0.00 0.00 176.35 176.17 1gi8 s ALA 183 N -0.75 -0.48 0.28 0.00 0.00 -0.67 -2.11 121.76 118.04 1gi8 s ALA 183 Ca 0.12 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 52.70 1gi8 s ALA 183 Cb -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1gi8 s ALA 183 CO 0.01 -0.13 0.41 0.00 0.00 0.00 0.00 175.76 176.05 1gi8 s ALA 184 N 0.52 0.53 -0.14 0.00 0.00 -0.44 -1.66 121.76 120.56 1gi8 s ALA 184 Ca -0.03 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 50.51 1gi8 s ALA 184 Cb -0.05 1.18 -0.04 0.00 0.00 0.00 0.00 23.12 24.21 1gi8 s ALA 184 CO -0.03 -0.77 0.09 0.34 0.00 0.00 0.00 175.76 175.39 1gi8 s ASP 185 N -3.15 5.94 0.42 0.00 -1.08 -1.26 -1.08 116.67 116.45 1gi8 s ASP 185 Ca 0.30 0.28 0.21 0.00 -0.52 0.00 0.00 52.55 52.82 1gi8 s ASP 185 Cb 0.01 -1.92 1.18 0.00 -1.46 0.00 0.00 42.92 40.73 1gi8 s ASP 185 CO 0.15 0.32 1.77 -0.65 0.52 0.00 0.00 175.17 177.28 1gi8 h PRO 185 N 5.66 0.31 -0.48 4.34 0.11 -1.95 0.23 132.00 140.22 1gi8 h PRO 185 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1gi8 h PRO 185 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1gi8 h PRO 185 CO 0.63 0.21 0.00 1.04 -0.21 0.00 0.00 178.00 179.66 1gi8 n GLN 185 N -4.57 4.23 -3.93 1.05 1.13 -1.26 -4.95 117.38 109.08 1gi8 n GLN 185 Ca 0.26 -3.05 -0.31 0.00 -1.94 0.00 0.00 57.00 51.97 1gi8 n GLN 185 Cb 0.95 -2.11 -0.07 0.00 0.11 0.00 0.00 30.24 29.12 1gi8 n GLN 185 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1gi8 n TRP 186 N 0.32 -0.95 -0.07 1.08 7.02 0.82 -4.80 117.44 120.86 1gi8 n TRP 186 Ca 0.26 0.52 -0.03 0.00 -1.02 0.00 0.00 57.50 57.23 1gi8 n TRP 186 Cb 1.08 -1.75 -0.16 0.00 -2.42 0.00 0.00 31.31 28.06 1gi8 n TRP 186 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1gi8 n LYS 187 N -3.52 0.72 -4.31 -0.99 3.00 -1.26 -4.56 118.16 107.24 1gi8 n LYS 187 Ca -0.04 -0.08 -0.17 0.00 -0.00 0.00 0.00 58.31 58.03 1gi8 n LYS 187 Cb 0.43 -1.51 -0.10 0.00 0.00 0.00 0.00 35.03 33.85 1gi8 n LYS 187 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1gi8 s THR 188 N -2.84 1.31 -0.01 3.15 -1.32 -1.26 -4.29 115.64 110.38 1gi8 s THR 188 Ca -0.09 -2.10 0.00 0.00 -1.21 0.00 0.00 61.69 58.29 1gi8 s THR 188 Cb 0.09 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 1gi8 s THR 188 CO 0.84 -0.56 0.00 -0.67 -2.21 0.00 0.00 174.62 172.02 1gi8 n ASP 189 N -0.34 0.00 -4.96 8.08 2.03 -0.89 -4.28 116.55 116.20 1gi8 n ASP 189 Ca -0.08 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.03 1gi8 n ASP 189 Cb 0.62 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.06 1gi8 n ASP 189 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1gi8 s SER 190 N -0.86 5.28 0.32 1.67 1.04 -1.26 -1.74 113.70 118.14 1gi8 s SER 190 Ca 0.00 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 55.98 1gi8 s SER 190 Cb 0.00 -0.57 0.06 0.00 0.10 0.00 0.00 66.02 65.61 1gi8 s SER 190 CO 0.00 -1.12 0.83 0.00 0.98 0.00 0.00 173.24 173.93 1gi8 n GLN 192 N -0.57 1.02 0.00 0.00 7.27 -1.26 0.23 117.38 124.07 1gi8 n GLN 192 Ca -0.06 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.37 1gi8 n GLN 192 Cb 0.56 -2.01 0.00 0.00 2.41 0.00 0.00 30.24 31.21 1gi8 n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1gi8 n GLY 193 N 2.96 1.95 0.01 1.69 0.00 -1.26 -1.01 105.19 109.54 1gi8 n GLY 193 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1gi8 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gi8 n ASP 194 N 0.00 0.61 -4.43 1.61 8.00 0.14 -3.78 116.55 118.68 1gi8 n ASP 194 Ca 0.00 -0.29 -0.46 0.00 0.71 0.00 0.00 54.79 54.75 1gi8 n ASP 194 Cb 0.00 0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 1gi8 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1gi8 n SER 195 N -1.66 -0.85 0.00 -2.24 7.64 -1.26 -2.27 113.62 112.98 1gi8 n SER 195 Ca 0.04 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1gi8 n SER 195 Cb 0.37 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1gi8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gi8 n GLY 196 N 1.85 2.93 3.84 0.23 0.00 0.20 -1.30 105.19 112.94 1gi8 n GLY 196 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1gi8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gi8 s GLY 197 N -1.32 1.66 0.35 -0.02 0.00 -0.96 -3.46 107.32 103.57 1gi8 s GLY 197 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 44.72 43.79 1gi8 s GLY 197 CO 0.00 -0.20 0.62 2.56 0.00 0.00 0.00 173.10 176.08 1gi8 s PRO 198 N -5.60 3.61 -0.27 2.90 0.04 -1.26 -0.93 135.00 133.49 1gi8 s PRO 198 Ca 0.69 0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.79 1gi8 s PRO 198 Cb -0.09 -2.57 0.07 0.00 0.04 0.00 0.00 34.50 31.95 1gi8 s PRO 198 CO 0.53 0.10 -0.05 -1.17 0.04 0.00 0.00 177.00 176.45 1gi8 s LEU 199 N -3.93 3.31 -0.11 -3.56 2.96 -0.61 -3.56 118.68 113.17 1gi8 s LEU 199 Ca 0.45 -1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 52.88 1gi8 s LEU 199 Cb -0.10 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 1gi8 s LEU 199 CO 0.34 -0.25 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.36 1gi8 s VAL 200 N 1.20 3.66 0.26 1.68 1.01 0.39 -0.55 120.40 128.05 1gi8 s VAL 200 Ca -0.03 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1gi8 s VAL 200 Cb -0.19 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1gi8 s VAL 200 CO -0.07 0.55 0.11 0.00 0.00 0.00 0.00 175.10 175.68 1gi8 s SER 202 N -3.32 5.43 -0.04 0.00 1.04 -1.26 -0.01 113.70 115.55 1gi8 s SER 202 Ca 0.38 0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.98 1gi8 s SER 202 Cb 0.07 -1.59 0.03 0.00 0.10 0.00 0.00 66.02 64.63 1gi8 s SER 202 CO 0.14 0.37 0.04 -0.76 0.98 0.00 0.00 173.24 174.02 1gi8 s LEU 203 N -0.84 0.47 -0.70 2.42 1.43 0.50 -4.84 118.68 117.12 1gi8 s LEU 203 Ca 0.13 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1gi8 s LEU 203 Cb -0.12 -0.16 0.00 0.00 0.03 0.00 0.00 46.19 45.94 1gi8 s LEU 203 CO 0.02 -0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.40 1gi8 n GLN 204 N 4.95 -1.82 0.00 1.70 6.02 -1.26 -1.33 117.38 125.64 1gi8 n GLN 204 Ca -0.11 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 1gi8 n GLN 204 Cb 0.50 -5.13 0.00 0.00 1.02 0.00 0.00 30.24 26.63 1gi8 n GLN 204 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gi8 n GLY 205 N 0.53 0.70 3.58 1.08 0.00 -1.26 -5.09 105.19 104.72 1gi8 n GLY 205 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1gi8 n GLY 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gi8 s ARG 206 N -0.66 2.07 -0.29 1.61 0.52 -0.44 -5.07 118.95 116.68 1gi8 s ARG 206 Ca 0.00 -1.40 -0.20 0.00 -0.52 0.00 0.00 55.73 53.61 1gi8 s ARG 206 Cb 0.00 -2.09 -0.01 0.00 0.52 0.00 0.00 34.95 33.36 1gi8 s ARG 206 CO 0.00 0.40 0.61 -1.64 0.02 0.00 0.00 175.30 174.69 1gi8 s MET 207 N -3.20 3.94 0.08 3.54 -1.94 -1.26 -0.37 119.30 120.08 1gi8 s MET 207 Ca 0.28 0.32 0.07 0.00 -1.71 0.00 0.00 55.69 54.64 1gi8 s MET 207 Cb -0.07 -3.71 -0.04 0.00 2.01 0.00 0.00 34.83 33.02 1gi8 s MET 207 CO 0.17 -0.53 -0.14 0.99 -0.01 0.00 0.00 175.02 175.50 1gi8 s THR 208 N 2.55 3.12 -0.61 2.05 2.01 0.99 -3.02 115.64 122.73 1gi8 s THR 208 Ca 0.25 -1.25 -0.28 0.00 0.31 0.00 0.00 61.69 60.72 1gi8 s THR 208 Cb -0.15 -2.40 0.03 0.00 0.01 0.00 0.00 72.50 69.98 1gi8 s THR 208 CO 0.11 0.20 1.26 -0.22 -0.69 0.00 0.00 174.62 175.28 1gi8 s LEU 209 N -1.90 3.38 -0.14 4.42 0.20 0.33 -1.99 118.68 122.99 1gi8 s LEU 209 Ca 0.18 0.03 -0.05 0.00 0.69 0.00 0.00 54.13 54.99 1gi8 s LEU 209 Cb -0.11 -3.02 -0.25 0.00 -0.43 0.00 0.00 46.19 42.39 1gi8 s LEU 209 CO 0.10 -1.60 0.27 0.41 -0.29 0.00 0.00 176.35 175.23 1gi8 n THR 210 N 6.65 1.73 -4.16 3.68 -1.04 0.29 -4.40 114.28 117.03 1gi8 n THR 210 Ca 0.08 -0.65 -0.12 0.00 -2.04 0.00 0.00 64.05 61.33 1gi8 n THR 210 Cb 0.49 -1.66 -0.09 0.00 -1.82 0.00 0.00 70.33 67.25 1gi8 n THR 210 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1gi8 s GLY 211 N -5.74 1.26 -0.11 3.41 0.00 -0.98 -3.15 107.32 102.01 1gi8 s GLY 211 Ca -0.24 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 42.99 1gi8 s GLY 211 CO 0.74 -1.22 -0.22 -0.42 0.00 0.00 0.00 173.10 171.98 1gi8 s ILE 212 N -4.10 1.96 -0.01 0.90 1.01 -1.10 -1.58 121.20 118.29 1gi8 s ILE 212 Ca 0.35 -0.95 -0.31 0.00 0.00 0.00 0.00 60.65 59.74 1gi8 s ILE 212 Cb 0.05 -1.72 -0.10 0.00 0.01 0.00 0.00 42.46 40.71 1gi8 s ILE 212 CO 0.12 0.54 1.95 0.52 0.00 0.00 0.00 174.94 178.06 1gi8 n VAL 213 N 3.75 0.71 0.02 2.92 0.31 -0.11 -1.13 118.33 124.80 1gi8 n VAL 213 Ca -0.20 -0.13 -0.01 0.00 -0.01 0.00 0.00 64.34 63.99 1gi8 n VAL 213 Cb 0.52 -2.18 -0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1gi8 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1gi8 n SER 214 N 7.32 0.73 -3.13 4.52 2.88 -0.83 -0.63 113.62 124.48 1gi8 n SER 214 Ca 0.21 0.10 -0.11 0.00 -1.33 0.00 0.00 58.87 57.74 1gi8 n SER 214 Cb 0.37 -0.27 -0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1gi8 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1gi8 s TRP 215 N -1.67 0.44 0.00 0.66 1.48 -0.82 -4.92 118.94 114.10 1gi8 s TRP 215 Ca -0.03 -0.93 0.00 0.00 -1.06 0.00 0.00 56.10 54.08 1gi8 s TRP 215 Cb 0.00 0.49 0.00 0.00 -1.16 0.00 0.00 33.47 32.80 1gi8 s TRP 215 CO 0.04 -1.38 0.00 0.41 -4.06 0.00 0.00 176.95 171.96 1gi8 n GLY 216 N -0.53 1.03 3.55 3.67 0.00 -1.26 -0.62 105.19 111.02 1gi8 n GLY 216 Ca -0.05 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 1gi8 n GLY 216 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gi8 s ARG 217 N -2.00 3.63 1.91 1.61 3.52 -1.26 -4.91 118.95 121.45 1gi8 s ARG 217 Ca 0.00 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 1gi8 s ARG 217 Cb 0.00 -3.77 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1gi8 s ARG 217 CO 0.00 -0.41 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 1gi8 n GLY 219 N 5.03 -0.98 2.89 8.12 0.00 -1.26 -4.69 105.19 114.31 1gi8 n GLY 219 Ca -0.12 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 1gi8 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gi8 n ALA 221 N 3.69 -1.76 -2.88 0.00 0.00 -1.26 -4.89 120.51 113.41 1gi8 n ALA 221 Ca -0.21 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 1gi8 n ALA 221 Cb 0.55 -2.69 -0.04 0.00 0.00 0.00 0.00 19.45 17.26 1gi8 n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gi8 s LEU 222 N -6.93 4.15 0.27 0.00 1.43 -1.26 -4.74 118.68 111.59 1gi8 s LEU 222 Ca 0.23 0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 1gi8 s LEU 222 Cb -0.12 -2.76 -0.09 0.00 0.03 0.00 0.00 46.19 43.25 1gi8 s LEU 222 CO 0.83 0.12 1.20 -0.75 0.23 0.00 0.00 176.35 177.99 1gi8 s LYS 223 N -2.77 4.50 -1.48 1.70 2.20 -1.26 -2.78 119.74 119.85 1gi8 s LYS 223 Ca 0.33 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 1gi8 s LYS 223 Cb -0.12 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1gi8 s LYS 223 CO 0.26 -0.01 0.00 -0.25 -0.36 0.00 0.00 175.35 174.99 1gi8 n ASP 223 N 1.44 -5.56 -3.65 1.43 8.00 -1.26 -4.89 116.55 112.07 1gi8 n ASP 223 Ca 0.01 0.34 -0.27 0.00 0.71 0.00 0.00 54.79 55.58 1gi8 n ASP 223 Cb 0.44 -4.28 -0.11 0.00 -0.02 0.00 0.00 41.12 37.15 1gi8 n ASP 223 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1gi8 n LYS 224 N -1.42 1.17 -0.61 -1.24 4.76 -1.12 -4.36 118.16 115.33 1gi8 n LYS 224 Ca -0.14 -3.93 -0.28 0.00 -2.87 0.00 0.00 58.31 51.09 1gi8 n LYS 224 Cb 0.60 -2.00 0.25 0.00 -1.84 0.00 0.00 35.03 32.04 1gi8 n LYS 224 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1gi8 s PRO 225 N -0.89 -0.83 0.13 1.97 0.02 -1.26 -4.34 135.00 129.80 1gi8 s PRO 225 Ca 0.29 0.79 -0.04 0.00 0.02 0.00 0.00 61.00 62.07 1gi8 s PRO 225 Cb 0.01 -1.57 -0.05 0.00 0.02 0.00 0.00 34.50 32.91 1gi8 s PRO 225 CO -0.17 -3.66 0.35 0.20 -0.33 0.00 0.00 177.00 173.39 1gi8 s GLY 226 N -2.62 2.19 -0.04 0.52 0.00 -0.66 -4.43 107.32 102.26 1gi8 s GLY 226 Ca 0.68 -0.63 0.05 0.00 0.00 0.00 0.00 44.72 44.82 1gi8 s GLY 226 CO 0.64 -0.56 -0.20 0.14 0.00 0.00 0.00 173.10 173.12 1gi8 s VAL 227 N -1.66 2.59 0.18 1.40 1.01 0.21 -1.67 120.40 122.46 1gi8 s VAL 227 Ca 0.40 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1gi8 s VAL 227 Cb -0.12 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1gi8 s VAL 227 CO 0.26 0.58 -0.19 -0.31 0.00 0.00 0.00 175.10 175.44 1gi8 s TYR 228 N -0.58 1.92 0.38 5.22 1.51 -0.01 -1.94 117.35 123.85 1gi8 s TYR 228 Ca 0.08 -0.45 -0.24 0.00 -1.01 0.00 0.00 57.07 55.46 1gi8 s TYR 228 Cb -0.11 -0.95 -0.10 0.00 -0.11 0.00 0.00 41.96 40.70 1gi8 s TYR 228 CO 0.00 0.38 0.99 0.99 -1.11 0.00 0.00 175.55 176.80 1gi8 s THR 229 N -2.03 4.03 -0.93 -0.71 2.01 -0.28 -1.36 115.64 116.38 1gi8 s THR 229 Ca 0.17 1.54 -0.16 0.00 0.31 0.00 0.00 61.69 63.55 1gi8 s THR 229 Cb -0.06 -3.78 0.18 0.00 0.01 0.00 0.00 72.50 68.85 1gi8 s THR 229 CO 0.08 -0.01 1.01 -0.60 -0.69 0.00 0.00 174.62 174.41 1gi8 s ARG 230 N -2.48 3.69 0.37 4.92 3.52 -0.56 -2.71 118.95 125.71 1gi8 s ARG 230 Ca 0.56 -2.22 0.19 0.00 -0.13 0.00 0.00 55.73 54.13 1gi8 s ARG 230 Cb -0.18 -4.71 1.19 0.00 -1.56 0.00 0.00 34.95 29.69 1gi8 s ARG 230 CO 0.23 -1.54 1.66 0.28 -0.81 0.00 0.00 175.30 175.11 1gi8 h VAL 231 N 5.15 0.25 -0.02 7.11 2.07 -1.86 -0.24 116.25 128.71 1gi8 h VAL 231 Ca 0.15 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1gi8 h VAL 231 Cb 1.01 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1gi8 h VAL 231 CO 0.97 0.04 0.02 0.77 0.02 0.00 0.00 177.57 179.40 1gi8 h SER 232 N 0.25 0.00 -0.08 0.57 4.64 -1.88 -0.56 113.55 116.49 1gi8 h SER 232 Ca 0.75 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.07 1gi8 h SER 232 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1gi8 h SER 232 CO -0.55 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 176.82 1gi8 n HIS 233 N -3.79 0.09 0.08 4.77 8.25 -0.10 -2.28 115.22 122.24 1gi8 n HIS 233 Ca -0.03 -0.05 0.01 0.00 -0.26 0.00 0.00 57.72 57.40 1gi8 n HIS 233 Cb 0.11 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.22 1gi8 n HIS 233 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1gi8 n PHE 234 N 0.28 0.00 -0.31 4.41 3.01 -0.23 -4.82 117.46 119.80 1gi8 n PHE 234 Ca 0.18 -0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.75 1gi8 n PHE 234 Cb 0.35 -0.00 0.25 0.00 -0.01 0.00 0.00 39.48 40.08 1gi8 n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1gi8 h LEU 235 N 0.38 -0.37 -0.13 4.37 3.38 -1.62 -0.05 115.31 121.26 1gi8 h LEU 235 Ca 0.00 0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1gi8 h LEU 235 Cb 0.08 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1gi8 h LEU 235 CO 0.00 -0.27 0.08 -0.65 0.09 0.00 0.00 178.44 177.69 1gi8 h PRO 236 N 0.07 0.18 -0.53 1.13 0.11 -1.90 0.39 132.00 131.45 1gi8 h PRO 236 Ca 0.54 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.71 1gi8 h PRO 236 Cb 1.07 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 1gi8 h PRO 236 CO -0.81 0.16 0.18 2.35 -0.21 0.00 0.00 178.00 179.68 1gi8 h TRP 237 N 0.15 0.31 0.51 0.65 7.01 -1.44 0.35 115.95 123.49 1gi8 h TRP 237 Ca 0.05 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1gi8 h TRP 237 Cb 0.03 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1gi8 h TRP 237 CO -0.05 0.08 -0.24 0.82 -2.79 0.00 0.00 178.44 176.26 1gi8 h ILE 238 N 0.35 0.49 -0.59 2.65 2.04 -0.87 -2.96 117.51 118.62 1gi8 h ILE 238 Ca 0.26 -0.14 0.11 0.00 1.00 0.00 0.00 64.86 66.10 1gi8 h ILE 238 Cb 0.31 0.55 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 1gi8 h ILE 238 CO -0.28 0.02 0.12 0.03 0.00 0.00 0.00 178.15 178.04 1gi8 h ARG 239 N -0.76 0.24 0.00 2.37 3.08 -0.04 -0.05 114.38 119.23 1gi8 h ARG 239 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1gi8 h ARG 239 Cb 0.56 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1gi8 h ARG 239 CO 0.11 0.16 0.13 0.66 -1.07 0.00 0.00 179.97 179.96 1gi8 h SER 240 N 0.25 0.00 -0.00 7.04 4.64 -0.17 -2.40 113.55 122.91 1gi8 h SER 240 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1gi8 h SER 240 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1gi8 h SER 240 CO -0.40 0.00 -0.08 1.41 -0.87 0.00 0.00 176.83 176.89 1gi8 n HIS 241 N -2.24 0.00 0.19 4.77 8.25 -0.08 -5.10 115.22 121.01 1gi8 n HIS 241 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 1gi8 n HIS 241 Cb 0.16 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.29 1gi8 n HIS 241 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39