#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gi9 s ILE 17 N 0.00 5.35 0.00 1.39 -1.09 -0.67 -3.90 121.20 122.28 1gi9 s ILE 17 Ca 0.00 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1gi9 s ILE 17 Cb 0.00 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1gi9 s ILE 17 CO 0.00 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.70 1gi9 n GLY 18 N 3.69 -1.47 1.18 6.18 0.00 -1.26 -2.53 105.19 110.99 1gi9 n GLY 18 Ca -0.14 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1gi9 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gi9 n GLY 19 N 0.00 -2.57 3.30 -0.02 0.00 -1.26 -4.86 105.19 99.78 1gi9 n GLY 19 Ca 0.00 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 43.94 1gi9 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gi9 s GLU 20 N -0.38 1.20 0.33 1.61 8.01 -0.43 -4.95 118.70 124.10 1gi9 s GLU 20 Ca 0.00 -1.55 -0.16 0.00 0.01 0.00 0.00 54.97 53.27 1gi9 s GLU 20 Cb 0.00 -0.73 -0.09 0.00 -4.31 0.00 0.00 34.13 28.99 1gi9 s GLU 20 CO 0.00 0.05 0.77 -0.06 0.01 0.00 0.00 175.26 176.02 1gi9 s PHE 21 N -3.27 3.38 0.10 1.61 0.40 -1.26 -1.95 117.98 116.97 1gi9 s PHE 21 Ca 0.21 1.28 0.01 0.00 -0.60 0.00 0.00 56.93 57.83 1gi9 s PHE 21 Cb 0.03 -2.58 -0.00 0.00 0.51 0.00 0.00 43.02 40.97 1gi9 s PHE 21 CO 0.04 0.08 0.10 -2.37 0.70 0.00 0.00 175.22 173.77 1gi9 n THR 22 N -0.36 0.00 -4.38 0.64 5.66 0.44 -4.87 114.28 111.40 1gi9 n THR 22 Ca 0.04 -0.62 -0.19 0.00 -3.05 0.00 0.00 64.05 60.22 1gi9 n THR 22 Cb 0.53 0.33 -0.10 0.00 -1.55 0.00 0.00 70.33 69.54 1gi9 n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1gi9 s THR 23 N -2.44 1.48 0.46 1.09 -4.23 -1.26 -4.29 115.64 106.45 1gi9 s THR 23 Ca 0.10 -2.11 0.22 0.00 -1.18 0.00 0.00 61.69 58.72 1gi9 s THR 23 Cb 0.00 -2.34 0.26 0.00 1.34 0.00 0.00 72.50 71.76 1gi9 s THR 23 CO 0.07 -0.37 2.07 -0.29 -0.54 0.00 0.00 174.62 175.57 1gi9 h ILE 24 N 2.39 0.82 -0.15 2.99 6.09 -1.88 -1.62 117.51 126.14 1gi9 h ILE 24 Ca -0.39 -0.45 0.04 0.00 -1.37 0.00 0.00 64.86 62.69 1gi9 h ILE 24 Cb 1.23 1.26 -0.01 0.00 0.47 0.00 0.00 36.82 39.77 1gi9 h ILE 24 CO 0.66 0.12 0.22 -0.33 -3.07 0.00 0.00 178.15 175.74 1gi9 h GLU 25 N 0.00 0.00 0.00 2.19 3.07 -1.86 0.32 114.58 118.30 1gi9 h GLU 25 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1gi9 h GLU 25 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1gi9 h GLU 25 CO 0.02 0.00 -0.46 0.09 -1.40 0.00 0.00 179.01 177.25 1gi9 n ASN 26 N -3.57 0.49 -2.91 1.42 3.02 -0.61 -4.32 115.26 108.77 1gi9 n ASN 26 Ca 0.01 -0.06 -0.13 0.00 -0.03 0.00 0.00 54.58 54.37 1gi9 n ASN 26 Cb 0.32 0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.64 1gi9 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gi9 n GLN 27 N -1.66 1.05 0.06 3.52 1.13 0.10 -5.00 117.38 116.59 1gi9 n GLN 27 Ca 0.05 -2.96 0.06 0.00 -1.94 0.00 0.00 57.00 52.21 1gi9 n GLN 27 Cb 0.36 -1.30 0.28 0.00 0.11 0.00 0.00 30.24 29.69 1gi9 n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1gi9 n PRO 28 N 0.10 0.06 -0.16 -1.09 -0.04 -0.51 -0.67 135.00 132.69 1gi9 n PRO 28 Ca 0.14 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.20 1gi9 n PRO 28 Cb 0.73 -1.67 0.26 0.00 -0.04 0.00 0.00 33.50 32.78 1gi9 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1gi9 n TRP 29 N -1.80 0.43 -2.77 0.54 2.14 -1.18 -1.96 117.44 112.84 1gi9 n TRP 29 Ca 0.00 -0.22 -0.41 0.00 2.07 0.00 0.00 57.50 58.95 1gi9 n TRP 29 Cb 0.07 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.53 1gi9 n TRP 29 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1gi9 s PHE 30 N -1.57 3.74 -0.04 -2.67 2.19 0.15 -1.20 117.98 118.58 1gi9 s PHE 30 Ca 0.37 1.70 0.05 0.00 0.33 0.00 0.00 56.93 59.38 1gi9 s PHE 30 Cb 0.21 -3.03 -0.02 0.00 -1.31 0.00 0.00 43.02 38.87 1gi9 s PHE 30 CO 0.30 0.14 -0.19 0.00 1.83 0.00 0.00 175.22 177.30 1gi9 s ALA 31 N 0.35 2.45 -0.22 11.12 0.00 -0.59 -4.40 121.76 130.47 1gi9 s ALA 31 Ca 0.47 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 1gi9 s ALA 31 Cb -0.22 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1gi9 s ALA 31 CO 0.28 0.52 -0.00 0.00 0.00 0.00 0.00 175.76 176.56 1gi9 s ALA 32 N -0.60 2.97 -0.17 0.00 0.00 -0.50 -1.29 121.76 122.17 1gi9 s ALA 32 Ca 0.09 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 1gi9 s ALA 32 Cb -0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1gi9 s ALA 32 CO 0.00 -0.32 -0.02 0.42 0.00 0.00 0.00 175.76 175.85 1gi9 s ILE 33 N 1.29 3.98 0.33 0.00 1.01 -0.55 -1.42 121.20 125.84 1gi9 s ILE 33 Ca 0.04 -0.32 0.10 0.00 0.00 0.00 0.00 60.65 60.47 1gi9 s ILE 33 Cb -0.15 -2.77 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 1gi9 s ILE 33 CO 0.00 0.47 -0.08 -0.31 0.00 0.00 0.00 174.94 175.02 1gi9 s TYR 34 N 0.61 2.43 0.02 3.97 2.02 -0.53 -0.30 117.35 125.57 1gi9 s TYR 34 Ca -0.01 -0.46 0.06 0.00 -0.37 0.00 0.00 57.07 56.29 1gi9 s TYR 34 Cb -0.14 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 40.04 1gi9 s TYR 34 CO 0.02 0.57 -0.18 0.50 -1.57 0.00 0.00 175.55 174.89 1gi9 s ARG 35 N -3.63 1.32 0.07 -0.62 3.52 0.53 -1.49 118.95 118.66 1gi9 s ARG 35 Ca 0.33 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 1gi9 s ARG 35 Cb 0.01 -1.35 -0.04 0.00 -1.56 0.00 0.00 34.95 32.01 1gi9 s ARG 35 CO 0.17 0.35 0.22 1.03 -0.81 0.00 0.00 175.30 176.27 1gi9 s ARG 36 N -0.87 3.44 -0.25 5.12 0.52 0.47 -0.85 118.95 126.54 1gi9 s ARG 36 Ca 0.06 -0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 54.80 1gi9 s ARG 36 Cb -0.08 -3.03 0.08 0.00 0.52 0.00 0.00 34.95 32.44 1gi9 s ARG 36 CO 0.01 0.60 0.06 -1.01 0.02 0.00 0.00 175.30 174.97 1gi9 s HIS 37 N -1.54 1.32 -0.75 -0.53 3.76 -0.32 -4.96 115.29 112.28 1gi9 s HIS 37 Ca 0.35 -1.25 -0.18 0.00 -0.15 0.00 0.00 55.06 53.83 1gi9 s HIS 37 Cb -0.13 -1.31 -0.17 0.00 1.11 0.00 0.00 32.58 32.08 1gi9 s HIS 37 CO 0.28 -0.74 1.88 -2.13 -0.85 0.00 0.00 174.74 173.18 1gi9 n ARG 37 N 4.96 0.14 -0.08 1.40 3.00 -1.26 -3.07 116.66 121.75 1gi9 n ARG 37 Ca -0.06 -0.96 -0.08 0.00 -0.00 0.00 0.00 57.85 56.74 1gi9 n ARG 37 Cb 0.45 -2.87 -0.12 0.00 0.00 0.00 0.00 32.46 29.92 1gi9 n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gi9 n GLY 37 N 5.77 -0.71 3.90 5.14 0.00 -1.26 -5.13 105.19 112.89 1gi9 n GLY 37 Ca 0.34 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1gi9 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gi9 s SER 37 N -5.00 6.45 -0.05 1.61 1.04 -1.17 -5.08 113.70 111.50 1gi9 s SER 37 Ca -0.10 0.77 0.02 0.00 0.48 0.00 0.00 55.95 57.12 1gi9 s SER 37 Cb 0.05 -2.17 0.01 0.00 0.10 0.00 0.00 66.02 64.02 1gi9 s SER 37 CO 0.61 -0.22 -0.10 0.68 0.98 0.00 0.00 173.24 175.19 1gi9 s VAL 38 N -2.12 0.95 0.31 5.02 -7.23 -1.26 -1.18 120.40 114.90 1gi9 s VAL 38 Ca 0.45 -0.39 0.10 0.00 -1.81 0.00 0.00 61.98 60.33 1gi9 s VAL 38 Cb -0.11 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 1gi9 s VAL 38 CO 0.30 0.31 -0.10 0.42 -0.31 0.00 0.00 175.10 175.72 1gi9 s THR 39 N 0.61 2.58 0.34 5.32 -4.23 -0.03 -4.88 115.64 115.36 1gi9 s THR 39 Ca -0.12 -2.20 -0.24 0.00 -1.18 0.00 0.00 61.69 57.95 1gi9 s THR 39 Cb -0.14 -2.57 -0.10 0.00 1.34 0.00 0.00 72.50 71.03 1gi9 s THR 39 CO 0.02 -0.30 0.93 -0.47 -0.54 0.00 0.00 174.62 174.26 1gi9 s TYR 40 N -2.51 3.59 0.00 3.99 5.04 -1.26 -0.34 117.35 125.85 1gi9 s TYR 40 Ca 0.32 1.71 0.00 0.00 -2.44 0.00 0.00 57.07 56.66 1gi9 s TYR 40 Cb -0.02 -2.88 0.00 0.00 0.35 0.00 0.00 41.96 39.41 1gi9 s TYR 40 CO 0.17 0.13 0.00 0.28 -1.34 0.00 0.00 175.55 174.79 1gi9 n VAL 41 N 0.25 0.00 -3.98 3.14 0.31 0.59 -4.82 118.33 113.81 1gi9 n VAL 41 Ca 0.03 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.33 1gi9 n VAL 41 Cb 0.51 -1.01 -0.01 0.00 -0.91 0.00 0.00 33.84 32.41 1gi9 n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gi9 n GLY 43 N -0.57 2.12 3.27 0.00 0.00 -0.65 -1.49 105.19 107.88 1gi9 n GLY 43 Ca -0.02 -2.23 -0.02 0.00 0.00 0.00 0.00 46.02 43.74 1gi9 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gi9 n GLY 44 N -1.28 0.70 2.99 -0.02 0.00 -0.41 -3.86 105.19 103.30 1gi9 n GLY 44 Ca 0.11 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 1gi9 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gi9 s SER 45 N -3.08 0.58 -0.27 1.61 0.01 -0.36 -1.55 113.70 110.64 1gi9 s SER 45 Ca 0.20 -0.31 -0.20 0.00 1.31 0.00 0.00 55.95 56.94 1gi9 s SER 45 Cb -0.02 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 1gi9 s SER 45 CO 0.05 -0.10 0.61 -0.22 0.41 0.00 0.00 173.24 173.99 1gi9 s LEU 46 N -0.85 4.08 -0.11 2.44 2.96 -0.34 -0.96 118.68 125.90 1gi9 s LEU 46 Ca -0.05 0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 54.40 1gi9 s LEU 46 Cb -0.06 -2.81 -0.26 0.00 0.50 0.00 0.00 46.19 43.56 1gi9 s LEU 46 CO -0.00 -0.39 0.41 0.24 -1.32 0.00 0.00 176.35 175.29 1gi9 h MET 47 N 8.00 0.26 -3.54 1.98 2.86 -1.30 -1.54 114.93 121.65 1gi9 h MET 47 Ca -0.27 -0.44 -0.04 0.00 -2.06 0.00 0.00 59.70 56.89 1gi9 h MET 47 Cb 1.12 0.16 -0.09 0.00 0.06 0.00 0.00 31.60 32.86 1gi9 h MET 47 CO 0.77 1.18 -0.07 -1.54 1.06 0.00 0.00 176.91 178.32 1gi9 s SER 48 N -7.00 -0.13 0.34 1.22 1.04 -1.17 -4.64 113.70 103.36 1gi9 s SER 48 Ca -0.21 -0.83 0.15 0.00 0.48 0.00 0.00 55.95 55.54 1gi9 s SER 48 Cb 0.07 0.60 1.13 0.00 0.10 0.00 0.00 66.02 67.91 1gi9 s SER 48 CO 0.78 -1.15 1.64 -0.65 0.98 0.00 0.00 173.24 174.84 1gi9 h PRO 49 N 2.23 0.21 -0.14 4.02 0.11 -1.95 -1.77 132.00 134.72 1gi9 h PRO 49 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1gi9 h PRO 49 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1gi9 h PRO 49 CO 0.35 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.28 1gi9 s TRP 51 N -1.19 1.67 0.03 0.00 0.52 -0.67 -1.61 118.94 117.69 1gi9 s TRP 51 Ca 0.21 -0.53 0.08 0.00 0.02 0.00 0.00 56.10 55.88 1gi9 s TRP 51 Cb 0.14 -1.15 -0.03 0.00 -1.15 0.00 0.00 33.47 31.28 1gi9 s TRP 51 CO 0.20 -0.21 -0.21 0.08 0.02 0.00 0.00 176.95 176.83 1gi9 s VAL 52 N 0.22 2.53 -0.02 4.03 1.01 -0.63 -0.91 120.40 126.63 1gi9 s VAL 52 Ca -0.08 -1.21 0.07 0.00 0.00 0.00 0.00 61.98 60.76 1gi9 s VAL 52 Cb -0.13 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1gi9 s VAL 52 CO 0.03 0.39 -0.23 -0.51 0.00 0.00 0.00 175.10 174.78 1gi9 s ILE 53 N -0.84 2.33 0.00 2.22 2.07 -0.14 -0.74 121.20 126.10 1gi9 s ILE 53 Ca 0.13 -1.03 0.00 0.00 -1.41 0.00 0.00 60.65 58.34 1gi9 s ILE 53 Cb -0.10 -1.84 0.00 0.00 0.13 0.00 0.00 42.46 40.64 1gi9 s ILE 53 CO 0.03 0.57 0.00 -0.24 -1.91 0.00 0.00 174.94 173.39 1gi9 n SER 54 N 2.35 0.00 -4.33 4.50 2.88 -0.50 -1.23 113.62 117.30 1gi9 n SER 54 Ca -0.16 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.04 1gi9 n SER 54 Cb 0.51 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.83 1gi9 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gi9 s ALA 55 N -1.69 2.59 0.36 -1.46 0.00 -1.26 -0.76 121.76 119.55 1gi9 s ALA 55 Ca 0.00 -0.97 0.12 0.00 0.00 0.00 0.00 51.96 51.11 1gi9 s ALA 55 Cb 0.00 -1.26 0.91 0.00 0.00 0.00 0.00 23.12 22.76 1gi9 s ALA 55 CO 0.00 0.08 1.82 1.15 0.00 0.00 0.00 175.76 178.81 1gi9 h THR 56 N 5.53 0.70 0.00 0.00 2.02 -1.76 -1.19 112.91 118.21 1gi9 h THR 56 Ca -0.30 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1gi9 h THR 56 Cb 1.20 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1gi9 h THR 56 CO 0.57 0.11 0.02 1.12 0.37 0.00 0.00 175.52 177.70 1gi9 h HIS 57 N 0.60 0.00 -0.00 3.16 2.07 -1.92 0.63 115.15 119.68 1gi9 h HIS 57 Ca 0.52 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.88 1gi9 h HIS 57 Cb 1.02 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.98 1gi9 h HIS 57 CO -0.00 0.00 -0.77 0.00 -3.07 0.00 0.00 177.93 174.09 1gi9 n PHE 59 N -3.64 0.00 -0.05 0.00 3.72 -0.47 -4.71 117.46 112.31 1gi9 n PHE 59 Ca -0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.41 1gi9 n PHE 59 Cb 0.74 -0.91 0.03 0.00 -0.94 0.00 0.00 39.48 38.40 1gi9 n PHE 59 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1gi9 n ILE 60 N -3.07 -0.06 0.13 4.37 2.08 0.09 0.12 119.36 123.02 1gi9 n ILE 60 Ca -0.39 0.30 -0.00 0.00 0.56 0.00 0.00 62.75 63.21 1gi9 n ILE 60 Cb 0.98 -0.43 0.10 0.00 -0.75 0.00 0.00 39.64 39.54 1gi9 n ILE 60 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1gi9 h ASP 60 N 0.00 0.00 -2.10 4.38 5.19 -1.84 -3.38 116.42 118.66 1gi9 h ASP 60 Ca 0.08 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.92 1gi9 h ASP 60 Cb 0.15 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 39.27 1gi9 h ASP 60 CO -0.13 0.64 -1.04 0.00 -3.12 0.00 0.00 179.24 175.60 1gi9 n TYR 60 N -3.48 -0.10 -0.46 4.55 4.19 0.12 -5.00 117.16 116.98 1gi9 n TYR 60 Ca 0.00 -3.57 -0.04 0.00 3.31 0.00 0.00 57.90 57.60 1gi9 n TYR 60 Cb 0.71 -0.25 -0.05 0.00 0.49 0.00 0.00 39.34 40.24 1gi9 n TYR 60 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1gi9 n PRO 60 N 1.65 0.91 -3.42 2.98 -0.04 -1.15 -4.72 135.00 131.22 1gi9 n PRO 60 Ca 0.23 -0.30 -0.44 0.00 -0.04 0.00 0.00 63.50 62.95 1gi9 n PRO 60 Cb 0.51 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 1gi9 n PRO 60 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1gi9 s LYS 61 N 1.24 3.24 0.36 0.54 -0.14 -1.26 -4.93 119.74 118.79 1gi9 s LYS 61 Ca 0.20 -2.32 0.11 0.00 -1.36 0.00 0.00 55.97 52.59 1gi9 s LYS 61 Cb 0.09 -4.24 0.87 0.00 -1.68 0.00 0.00 37.83 32.87 1gi9 s LYS 61 CO 0.00 -1.27 1.83 1.57 -0.76 0.00 0.00 175.35 176.73 1gi9 h LYS 62 N 7.84 0.62 -0.00 1.68 2.10 -1.92 -1.71 116.57 125.18 1gi9 h LYS 62 Ca 0.01 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1gi9 h LYS 62 Cb 1.03 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1gi9 h LYS 62 CO 0.79 0.41 0.12 0.93 -2.00 0.00 0.00 179.45 179.70 1gi9 h GLU 62 N 0.63 0.00 -0.71 0.07 3.07 -1.92 -2.18 114.58 113.55 1gi9 h GLU 62 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1gi9 h GLU 62 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1gi9 h GLU 62 CO -0.25 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.11 1gi9 n ASP 63 N -3.02 3.94 -4.74 1.42 8.00 -0.64 -4.92 116.55 116.58 1gi9 n ASP 63 Ca -0.03 -2.07 -0.29 0.00 0.71 0.00 0.00 54.79 53.12 1gi9 n ASP 63 Cb 0.18 -0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 1gi9 n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1gi9 s TYR 64 N -1.17 3.08 -0.01 1.24 1.51 -0.82 -0.39 117.35 120.78 1gi9 s TYR 64 Ca 0.48 -0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.57 1gi9 s TYR 64 Cb 0.26 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.57 1gi9 s TYR 64 CO 0.31 0.51 -0.11 0.42 -1.11 0.00 0.00 175.55 175.57 1gi9 s ILE 65 N -1.52 0.92 -0.05 2.71 -1.09 -0.55 -4.24 121.20 117.37 1gi9 s ILE 65 Ca 0.29 -0.48 0.06 0.00 -2.23 0.00 0.00 60.65 58.28 1gi9 s ILE 65 Cb -0.11 -0.78 -0.01 0.00 -1.58 0.00 0.00 42.46 39.98 1gi9 s ILE 65 CO 0.21 0.27 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.26 1gi9 s VAL 66 N -0.15 1.94 -0.00 2.92 1.01 -0.58 -1.46 120.40 124.09 1gi9 s VAL 66 Ca 0.02 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.06 1gi9 s VAL 66 Cb -0.06 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1gi9 s VAL 66 CO -0.00 0.54 -0.21 -0.31 0.00 0.00 0.00 175.10 175.12 1gi9 s TYR 67 N -0.16 1.91 0.25 5.22 2.02 -0.51 0.02 117.35 126.11 1gi9 s TYR 67 Ca -0.03 -0.37 0.12 0.00 -0.37 0.00 0.00 57.07 56.42 1gi9 s TYR 67 Cb -0.13 -1.21 -0.05 0.00 -0.40 0.00 0.00 41.96 40.17 1gi9 s TYR 67 CO 0.03 -0.00 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.29 1gi9 s LEU 68 N -0.66 2.54 -1.23 -1.29 1.43 -0.32 -1.41 118.68 117.75 1gi9 s LEU 68 Ca 0.08 -0.98 -0.04 0.00 -1.03 0.00 0.00 54.13 52.17 1gi9 s LEU 68 Cb -0.08 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1gi9 s LEU 68 CO -0.00 0.06 0.48 0.61 0.23 0.00 0.00 176.35 177.72 1gi9 n GLY 69 N -0.33 -0.26 3.39 -3.19 0.00 -1.26 -1.23 105.19 102.31 1gi9 n GLY 69 Ca -0.08 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1gi9 n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gi9 s ARG 70 N -5.44 3.40 0.07 1.61 3.52 -1.26 -3.80 118.95 117.04 1gi9 s ARG 70 Ca 0.24 -0.65 0.19 0.00 -0.13 0.00 0.00 55.73 55.38 1gi9 s ARG 70 Cb -0.10 -3.31 -0.13 0.00 -1.56 0.00 0.00 34.95 29.84 1gi9 s ARG 70 CO 0.29 -0.30 0.79 0.43 -0.81 0.00 0.00 175.30 175.71 1gi9 n SER 71 N 4.89 0.72 -4.57 -2.12 7.64 -1.26 -4.68 113.62 114.24 1gi9 n SER 71 Ca -0.16 0.30 -0.24 0.00 1.01 0.00 0.00 58.87 59.78 1gi9 n SER 71 Cb 0.50 0.47 -0.09 0.00 -1.01 0.00 0.00 64.21 64.08 1gi9 n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1gi9 s ARG 72 N -3.06 2.04 -0.08 1.43 0.52 -1.26 -1.57 118.95 116.96 1gi9 s ARG 72 Ca -0.03 -1.47 -0.27 0.00 -0.52 0.00 0.00 55.73 53.44 1gi9 s ARG 72 Cb 0.09 -2.04 -0.24 0.00 0.52 0.00 0.00 34.95 33.27 1gi9 s ARG 72 CO 0.82 0.38 0.95 1.25 0.02 0.00 0.00 175.30 178.72 1gi9 h LEU 73 N 2.32 0.10 -1.94 2.53 5.85 -1.18 -3.41 115.31 119.58 1gi9 h LEU 73 Ca -0.44 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 57.45 1gi9 h LEU 73 Cb 1.24 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1gi9 h LEU 73 CO 0.58 0.91 0.00 0.59 -0.34 0.00 0.00 178.44 180.18 1gi9 n ASN 74 N -4.60 1.63 -4.55 1.25 3.02 -1.26 -5.01 115.26 105.74 1gi9 n ASN 74 Ca -0.10 -1.50 -0.24 0.00 -0.03 0.00 0.00 54.58 52.71 1gi9 n ASN 74 Cb 0.46 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.52 1gi9 n ASN 74 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1gi9 s SER 75 N -0.55 3.99 0.42 6.41 0.01 -1.26 -5.12 113.70 117.60 1gi9 s SER 75 Ca 0.03 -0.91 -0.12 0.00 1.31 0.00 0.00 55.95 56.26 1gi9 s SER 75 Cb 0.02 -0.51 -0.07 0.00 0.21 0.00 0.00 66.02 65.67 1gi9 s SER 75 CO 0.03 -0.02 0.82 0.20 0.41 0.00 0.00 173.24 174.67 1gi9 s ASN 76 N -3.60 6.58 -0.01 2.44 -0.87 -1.26 -4.60 114.94 113.61 1gi9 s ASN 76 Ca 0.31 1.25 0.08 0.00 -1.57 0.00 0.00 52.86 52.93 1gi9 s ASN 76 Cb -0.04 -2.37 -0.02 0.00 -0.02 0.00 0.00 41.25 38.79 1gi9 s ASN 76 CO 0.17 -0.42 -0.25 -0.89 -2.57 0.00 0.00 177.10 173.14 1gi9 s THR 77 N -2.38 2.11 0.16 1.60 2.01 -1.26 -4.92 115.64 112.96 1gi9 s THR 77 Ca 0.53 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 1gi9 s THR 77 Cb -0.10 -1.74 -0.07 0.00 0.01 0.00 0.00 72.50 70.60 1gi9 s THR 77 CO 0.29 0.56 1.15 -1.58 -0.69 0.00 0.00 174.62 174.35 1gi9 s GLN 78 N -0.68 4.53 0.00 4.92 2.00 -1.26 -2.45 119.66 126.71 1gi9 s GLN 78 Ca 0.10 1.79 0.00 0.00 -2.00 0.00 0.00 55.36 55.25 1gi9 s GLN 78 Cb -0.10 -3.27 0.00 0.00 0.80 0.00 0.00 33.01 30.44 1gi9 s GLN 78 CO -0.01 -0.04 0.00 0.41 -0.50 0.00 0.00 175.29 175.15 1gi9 n GLY 79 N 2.28 0.31 3.76 2.59 0.00 -1.26 -5.02 105.19 107.85 1gi9 n GLY 79 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1gi9 n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gi9 s GLU 80 N -0.94 2.79 0.03 1.61 -1.05 -1.02 -4.77 118.70 115.34 1gi9 s GLU 80 Ca 0.00 1.48 0.07 0.00 -0.15 0.00 0.00 54.97 56.37 1gi9 s GLU 80 Cb 0.00 -1.94 -0.02 0.00 -0.44 0.00 0.00 34.13 31.73 1gi9 s GLU 80 CO 0.00 -1.28 -0.19 -1.64 0.95 0.00 0.00 175.26 173.10 1gi9 s MET 81 N -3.94 1.36 -0.02 -4.83 -1.94 -0.37 -4.97 119.30 104.60 1gi9 s MET 81 Ca 0.69 -0.86 0.06 0.00 -1.71 0.00 0.00 55.69 53.87 1gi9 s MET 81 Cb -0.22 -1.43 -0.03 0.00 2.01 0.00 0.00 34.83 35.16 1gi9 s MET 81 CO 0.40 0.37 -0.18 0.21 -0.01 0.00 0.00 175.02 175.81 1gi9 s LYS 82 N -1.01 2.29 0.06 2.03 2.20 -1.26 -1.17 119.74 122.89 1gi9 s LYS 82 Ca 0.07 -0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 54.83 1gi9 s LYS 82 Cb -0.08 -2.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.95 1gi9 s LYS 82 CO 0.01 0.59 -0.00 -0.06 -0.36 0.00 0.00 175.35 175.53 1gi9 s PHE 83 N -0.77 0.54 0.32 4.03 0.08 0.10 -4.58 117.98 117.71 1gi9 s PHE 83 Ca 0.12 -1.06 0.07 0.00 0.12 0.00 0.00 56.93 56.19 1gi9 s PHE 83 Cb -0.10 -0.38 -0.03 0.00 -0.57 0.00 0.00 43.02 41.94 1gi9 s PHE 83 CO 0.02 -0.41 0.27 -1.21 -0.10 0.00 0.00 175.22 173.78 1gi9 s GLU 84 N -3.93 2.75 -0.41 0.44 0.41 -0.42 -1.52 118.70 116.02 1gi9 s GLU 84 Ca 0.09 -1.25 -0.16 0.00 -0.41 0.00 0.00 54.97 53.24 1gi9 s GLU 84 Cb 0.08 -2.48 0.02 0.00 -1.78 0.00 0.00 34.13 29.96 1gi9 s GLU 84 CO -0.08 0.16 0.34 0.08 -0.49 0.00 0.00 175.26 175.27 1gi9 s VAL 85 N -2.27 5.21 0.07 2.63 1.01 -1.26 -2.36 120.40 123.42 1gi9 s VAL 85 Ca 0.39 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1gi9 s VAL 85 Cb -0.06 -3.96 -0.29 0.00 0.00 0.00 0.00 36.38 32.07 1gi9 s VAL 85 CO 0.26 -0.33 1.12 -0.08 0.00 0.00 0.00 175.10 176.07 1gi9 h GLU 86 N 8.65 0.39 -3.60 2.72 4.81 -0.86 -3.43 114.58 123.26 1gi9 h GLU 86 Ca -0.27 -0.61 -0.20 0.00 -0.13 0.00 0.00 59.36 58.15 1gi9 h GLU 86 Cb 1.12 0.22 -0.26 0.00 0.63 0.00 0.00 28.75 30.46 1gi9 h GLU 86 CO 0.75 1.28 -0.63 -0.80 -0.73 0.00 0.00 179.01 178.88 1gi9 s ASN 87 N -7.28 -0.03 -0.23 1.04 0.01 -1.16 -4.94 114.94 102.36 1gi9 s ASN 87 Ca -0.06 0.03 -0.01 0.00 -0.71 0.00 0.00 52.86 52.12 1gi9 s ASN 87 Cb 0.06 0.15 0.06 0.00 0.41 0.00 0.00 41.25 41.94 1gi9 s ASN 87 CO 0.90 -0.10 -0.01 -0.22 -1.51 0.00 0.00 177.10 176.17 1gi9 s LEU 88 N -0.30 2.11 -0.34 0.60 2.96 -1.26 -0.47 118.68 121.99 1gi9 s LEU 88 Ca -0.04 -1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 52.70 1gi9 s LEU 88 Cb -0.02 -0.96 0.04 0.00 0.50 0.00 0.00 46.19 45.74 1gi9 s LEU 88 CO 0.00 -0.28 0.10 -0.63 -1.32 0.00 0.00 176.35 174.22 1gi9 s ILE 89 N 1.56 3.74 0.25 6.68 1.01 0.21 -4.98 121.20 129.67 1gi9 s ILE 89 Ca -0.03 -1.15 0.01 0.00 0.00 0.00 0.00 60.65 59.48 1gi9 s ILE 89 Cb -0.18 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1gi9 s ILE 89 CO -0.08 -0.18 0.42 -0.76 0.00 0.00 0.00 174.94 174.33 1gi9 s LEU 90 N 1.39 4.20 -0.30 2.97 1.43 -1.26 -0.79 118.68 126.33 1gi9 s LEU 90 Ca -0.02 0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 53.11 1gi9 s LEU 90 Cb -0.20 -3.11 0.01 0.00 0.03 0.00 0.00 46.19 42.93 1gi9 s LEU 90 CO 0.03 -0.11 1.04 -2.28 0.23 0.00 0.00 176.35 175.26 1gi9 s HIS 91 N -2.00 3.20 0.11 0.29 2.46 -1.23 -4.98 115.29 113.14 1gi9 s HIS 91 Ca 0.37 1.23 -0.31 0.00 0.47 0.00 0.00 55.06 56.82 1gi9 s HIS 91 Cb -0.10 -3.55 -0.07 0.00 -0.13 0.00 0.00 32.58 28.73 1gi9 s HIS 91 CO 0.31 -0.68 1.34 -1.59 -2.47 0.00 0.00 174.74 171.65 1gi9 s LYS 92 N 3.48 4.35 0.00 2.88 0.00 -1.26 -1.74 119.74 127.44 1gi9 s LYS 92 Ca 0.44 2.01 0.00 0.00 0.00 0.00 0.00 55.97 58.42 1gi9 s LYS 92 Cb -0.13 -3.26 0.00 0.00 0.00 0.00 0.00 37.83 34.44 1gi9 s LYS 92 CO 0.13 -0.39 0.00 -0.25 0.00 0.00 0.00 175.35 174.84 1gi9 n ASP 93 N 3.87 0.00 -4.77 0.03 8.00 -1.26 -5.08 116.55 117.34 1gi9 n ASP 93 Ca 0.11 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.22 1gi9 n ASP 93 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 1gi9 n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1gi9 s TYR 94 N -2.00 3.10 -0.02 1.24 5.04 -0.71 -4.56 117.35 119.45 1gi9 s TYR 94 Ca 0.00 1.55 -0.15 0.00 -2.44 0.00 0.00 57.07 56.03 1gi9 s TYR 94 Cb 0.00 -3.41 0.02 0.00 0.35 0.00 0.00 41.96 38.92 1gi9 s TYR 94 CO 0.00 -1.31 0.31 0.45 -1.34 0.00 0.00 175.55 173.66 1gi9 s SER 95 N -1.06 -0.20 0.06 4.32 0.15 -1.06 -4.93 113.70 110.98 1gi9 s SER 95 Ca 0.55 0.10 0.06 0.00 0.70 0.00 0.00 55.95 57.37 1gi9 s SER 95 Cb -0.32 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.29 1gi9 s SER 95 CO 0.40 -0.44 -0.17 0.00 1.20 0.00 0.00 173.24 174.23 1gi9 s ALA 96 N -1.29 1.45 0.00 5.45 0.00 -1.26 0.06 121.76 126.17 1gi9 s ALA 96 Ca -0.13 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1gi9 s ALA 96 Cb -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1gi9 s ALA 96 CO 0.04 0.28 0.00 -0.25 0.00 0.00 0.00 175.76 175.84 1gi9 n ASP 97 N 1.60 0.56 -4.03 0.00 10.43 0.48 -4.99 116.55 120.60 1gi9 n ASP 97 Ca -0.19 -0.11 -0.40 0.00 2.57 0.00 0.00 54.79 56.66 1gi9 n ASP 97 Cb 0.54 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.47 1gi9 n ASP 97 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1gi9 n THR 97 N 0.00 2.88 0.00 -3.53 -2.24 -1.26 -4.14 114.28 105.99 1gi9 n THR 97 Ca 0.00 -2.72 0.00 0.00 -2.27 0.00 0.00 64.05 59.06 1gi9 n THR 97 Cb 0.00 -2.40 0.00 0.00 -2.10 0.00 0.00 70.33 65.83 1gi9 n THR 97 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gi9 n LEU 97 N 8.32 0.00 -4.83 3.22 4.77 -1.26 -5.11 117.00 122.12 1gi9 n LEU 97 Ca 0.50 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 56.15 1gi9 n LEU 97 Cb 0.42 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1gi9 n LEU 97 CO 0.87 0.00 0.58 0.00 -1.33 0.00 0.00 177.39 177.52 1gi9 s ALA 98 N 0.00 3.13 -0.10 -1.18 0.00 -1.26 -4.67 121.76 117.68 1gi9 s ALA 98 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.29 1gi9 s ALA 98 Cb 0.00 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 1gi9 s ALA 98 CO 0.00 0.19 -0.19 -1.01 0.00 0.00 0.00 175.76 174.75 1gi9 s HIS 99 N -2.11 2.65 0.06 0.00 3.76 -1.26 -0.39 115.29 118.00 1gi9 s HIS 99 Ca 0.59 -0.72 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1gi9 s HIS 99 Cb -0.10 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 1gi9 s HIS 99 CO 0.14 -0.23 0.01 -1.01 -0.85 0.00 0.00 174.74 172.81 1gi9 s HIS 100 N 0.12 3.05 -1.42 1.40 3.76 0.11 -4.58 115.29 117.72 1gi9 s HIS 100 Ca -0.09 0.03 -0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1gi9 s HIS 100 Cb -0.15 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.94 1gi9 s HIS 100 CO 0.06 0.48 0.36 0.09 -0.85 0.00 0.00 174.74 174.88 1gi9 n ASN 101 N 0.85 -0.19 -4.25 1.40 3.02 -1.26 -2.58 115.26 112.26 1gi9 n ASN 101 Ca -0.12 -1.04 -0.44 0.00 -0.03 0.00 0.00 54.58 52.95 1gi9 n ASN 101 Cb 0.52 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 1gi9 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1gi9 n ASP 102 N -2.97 5.37 -3.87 6.41 2.03 -1.26 -4.57 116.55 117.69 1gi9 n ASP 102 Ca -0.31 -3.07 -0.11 0.00 0.52 0.00 0.00 54.79 51.82 1gi9 n ASP 102 Cb 0.69 -1.48 -0.12 0.00 -0.72 0.00 0.00 41.12 39.48 1gi9 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1gi9 s ILE 103 N 0.29 0.03 0.06 5.18 2.07 -1.26 -4.36 121.20 123.20 1gi9 s ILE 103 Ca 0.39 -0.26 -0.06 0.00 -1.41 0.00 0.00 60.65 59.31 1gi9 s ILE 103 Cb -0.00 -0.18 -0.01 0.00 0.13 0.00 0.00 42.46 42.39 1gi9 s ILE 103 CO -0.00 -0.14 0.10 0.00 -1.91 0.00 0.00 174.94 172.99 1gi9 s ALA 104 N -0.42 -0.00 -0.02 1.50 0.00 0.06 -3.46 121.76 119.41 1gi9 s ALA 104 Ca -0.05 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.25 1gi9 s ALA 104 Cb -0.03 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1gi9 s ALA 104 CO 0.00 -0.40 -0.17 -0.51 0.00 0.00 0.00 175.76 174.68 1gi9 s LEU 105 N -2.55 2.00 -0.11 0.00 1.43 0.03 -1.41 118.68 118.07 1gi9 s LEU 105 Ca 0.01 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1gi9 s LEU 105 Cb 0.03 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.35 1gi9 s LEU 105 CO -0.08 0.20 -0.17 -0.76 0.23 0.00 0.00 176.35 175.77 1gi9 s LEU 106 N -0.29 1.80 -0.13 1.79 1.02 0.08 -0.62 118.68 122.33 1gi9 s LEU 106 Ca 0.04 -0.46 -0.14 0.00 0.02 0.00 0.00 54.13 53.59 1gi9 s LEU 106 Cb -0.08 -1.15 -0.05 0.00 0.02 0.00 0.00 46.19 44.93 1gi9 s LEU 106 CO 0.00 0.03 0.33 -0.75 0.02 0.00 0.00 176.35 175.98 1gi9 s LYS 107 N 0.91 4.18 0.11 1.70 2.20 0.38 -1.60 119.74 127.62 1gi9 s LYS 107 Ca -0.08 0.18 0.06 0.00 -0.36 0.00 0.00 55.97 55.78 1gi9 s LYS 107 Cb -0.15 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1gi9 s LYS 107 CO -0.01 0.32 -0.03 0.96 -0.36 0.00 0.00 175.35 176.23 1gi9 s ILE 108 N 0.20 3.77 -0.06 5.43 -4.36 -0.63 -0.13 121.20 125.42 1gi9 s ILE 108 Ca 0.19 -1.17 -0.05 0.00 -0.26 0.00 0.00 60.65 59.36 1gi9 s ILE 108 Cb -0.14 -2.81 0.02 0.00 1.25 0.00 0.00 42.46 40.78 1gi9 s ILE 108 CO 0.06 0.06 0.16 -0.60 0.24 0.00 0.00 174.94 174.87 1gi9 s ARG 109 N -2.43 0.18 0.69 0.37 3.52 -0.99 -4.66 118.95 115.63 1gi9 s ARG 109 Ca 0.25 0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 56.06 1gi9 s ARG 109 Cb -0.11 0.06 0.09 0.00 -1.56 0.00 0.00 34.95 33.42 1gi9 s ARG 109 CO 0.17 -0.04 0.97 -1.54 -0.81 0.00 0.00 175.30 174.05 1gi9 s SER 110 N 0.24 4.63 0.12 -2.12 1.04 0.73 -1.30 113.70 117.04 1gi9 s SER 110 Ca -0.01 0.04 0.14 0.00 0.48 0.00 0.00 55.95 56.60 1gi9 s SER 110 Cb -0.02 -0.61 0.64 0.00 0.10 0.00 0.00 66.02 66.13 1gi9 s SER 110 CO -0.01 -1.67 1.44 2.29 0.98 0.00 0.00 173.24 176.27 1gi9 n LYS 110 N -2.81 0.07 0.00 4.02 2.85 -1.26 -0.67 118.16 120.36 1gi9 n LYS 110 Ca 0.11 0.42 0.11 0.00 -1.05 0.00 0.00 58.31 57.90 1gi9 n LYS 110 Cb 0.60 -1.67 0.10 0.00 -0.65 0.00 0.00 35.03 33.42 1gi9 n LYS 110 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1gi9 n GLU 110 N -1.80 0.16 -0.50 -1.58 4.71 -1.26 -4.95 120.64 115.42 1gi9 n GLU 110 Ca 0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 1gi9 n GLU 110 Cb 0.12 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 1gi9 n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gi9 n GLY 110 N 1.48 1.19 3.69 0.62 0.00 0.15 -5.09 105.19 107.23 1gi9 n GLY 110 Ca 0.06 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1gi9 n GLY 110 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gi9 s ARG 110 N -1.38 2.07 0.00 1.61 1.70 -1.26 -4.76 118.95 116.93 1gi9 s ARG 110 Ca 0.00 -2.25 0.00 0.00 -0.47 0.00 0.00 55.73 53.01 1gi9 s ARG 110 Cb 0.00 -1.56 0.00 0.00 -0.57 0.00 0.00 34.95 32.82 1gi9 s ARG 110 CO 0.00 -0.21 0.00 0.00 -1.08 0.00 0.00 175.30 174.01 1gi9 s ALA 112 N -2.00 2.47 0.06 0.00 0.00 -0.28 -4.85 121.76 117.16 1gi9 s ALA 112 Ca 0.00 0.63 0.09 0.00 0.00 0.00 0.00 51.96 52.67 1gi9 s ALA 112 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1gi9 s ALA 112 CO 0.00 -1.25 -0.24 -0.65 0.00 0.00 0.00 175.76 173.62 1gi9 s GLN 113 N -3.94 1.55 0.30 0.00 -1.52 -1.26 -4.84 119.66 109.94 1gi9 s GLN 113 Ca 0.69 -1.10 -0.29 0.00 -1.95 0.00 0.00 55.36 52.71 1gi9 s GLN 113 Cb -0.22 -1.76 -0.10 0.00 -0.22 0.00 0.00 33.01 30.71 1gi9 s GLN 113 CO 0.39 0.44 1.14 -2.14 -0.25 0.00 0.00 175.29 174.88 1gi9 s PRO 114 N -1.41 4.56 0.09 2.91 0.02 -1.26 -4.82 135.00 135.10 1gi9 s PRO 114 Ca 0.10 1.87 -0.01 0.00 0.02 0.00 0.00 61.00 62.98 1gi9 s PRO 114 Cb -0.10 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.29 1gi9 s PRO 114 CO 0.03 0.12 0.14 -1.13 -0.33 0.00 0.00 177.00 175.83 1gi9 n SER 115 N 1.06 -0.41 0.00 2.53 3.41 -0.87 -4.95 113.62 114.39 1gi9 n SER 115 Ca -0.01 -1.44 0.14 0.00 -0.26 0.00 0.00 58.87 57.30 1gi9 n SER 115 Cb 0.44 0.72 0.66 0.00 -0.26 0.00 0.00 64.21 65.78 1gi9 n SER 115 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1gi9 n ARG 116 N -0.14 0.20 -0.01 4.33 1.85 -1.26 -3.27 116.66 118.37 1gi9 n ARG 116 Ca -0.01 0.02 0.01 0.00 -1.00 0.00 0.00 57.85 56.87 1gi9 n ARG 116 Cb 0.15 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.07 1gi9 n ARG 116 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1gi9 n THR 117 N -1.39 0.13 -3.83 8.89 -2.24 -1.26 -4.65 114.28 109.92 1gi9 n THR 117 Ca 0.10 -0.56 -0.26 0.00 -2.27 0.00 0.00 64.05 61.06 1gi9 n THR 117 Cb 0.28 0.98 -0.17 0.00 -2.10 0.00 0.00 70.33 69.32 1gi9 n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1gi9 s ILE 118 N -0.31 0.75 0.08 2.28 1.01 -1.20 -4.04 121.20 119.77 1gi9 s ILE 118 Ca 0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 1gi9 s ILE 118 Cb 0.02 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.59 1gi9 s ILE 118 CO 0.03 0.21 0.23 -1.58 0.00 0.00 0.00 174.94 173.83 1gi9 s GLN 119 N 1.81 0.83 0.52 2.79 2.00 -0.83 -2.04 119.66 124.74 1gi9 s GLN 119 Ca 0.03 -0.80 0.00 0.00 -2.00 0.00 0.00 55.36 52.60 1gi9 s GLN 119 Cb -0.13 0.34 0.02 0.00 0.80 0.00 0.00 33.01 34.04 1gi9 s GLN 119 CO -0.07 -0.27 0.75 0.95 -0.50 0.00 0.00 175.29 176.15 1gi9 s THR 120 N -3.40 3.19 0.20 -0.34 -4.23 -1.26 -3.11 115.64 106.68 1gi9 s THR 120 Ca 0.01 -0.56 0.10 0.00 -1.18 0.00 0.00 61.69 60.06 1gi9 s THR 120 Cb 0.03 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 1gi9 s THR 120 CO -0.09 -0.14 -0.12 -0.51 -0.54 0.00 0.00 174.62 173.22 1gi9 s ILE 121 N -2.71 2.99 0.35 2.99 1.10 -0.58 -4.81 121.20 120.52 1gi9 s ILE 121 Ca 0.54 -1.80 -0.13 0.00 -0.51 0.00 0.00 60.65 58.75 1gi9 s ILE 121 Cb -0.10 -2.49 -0.08 0.00 0.15 0.00 0.00 42.46 39.94 1gi9 s ILE 121 CO 0.39 -0.15 0.74 0.00 -2.11 0.00 0.00 174.94 173.81 1gi9 s LEU 123 N -3.26 4.21 0.87 0.00 2.01 -1.26 -0.62 118.68 120.63 1gi9 s LEU 123 Ca 0.53 0.39 -0.13 0.00 0.01 0.00 0.00 54.13 54.94 1gi9 s LEU 123 Cb -0.10 -3.17 0.12 0.00 0.01 0.00 0.00 46.19 43.04 1gi9 s LEU 123 CO 0.22 -0.07 1.18 -2.16 1.01 0.00 0.00 176.35 176.53 1gi9 s PRO 124 N -3.45 1.46 0.49 1.29 0.04 -1.26 -4.85 135.00 128.72 1gi9 s PRO 124 Ca 0.38 0.12 -0.01 0.00 0.04 0.00 0.00 61.00 61.53 1gi9 s PRO 124 Cb -0.11 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1gi9 s PRO 124 CO 0.30 -1.95 0.73 -1.54 0.04 0.00 0.00 177.00 174.58 1gi9 s SER 125 N -4.40 5.76 0.06 6.66 1.04 -1.26 -4.96 113.70 116.60 1gi9 s SER 125 Ca 0.64 0.38 -0.38 0.00 0.48 0.00 0.00 55.95 57.08 1gi9 s SER 125 Cb -0.12 -1.56 -0.18 0.00 0.10 0.00 0.00 66.02 64.27 1gi9 s SER 125 CO 0.51 -0.80 1.21 0.23 0.98 0.00 0.00 173.24 175.37 1gi9 n MET 126 N -2.21 0.68 -1.91 4.02 2.81 -1.26 -1.71 117.12 117.54 1gi9 n MET 126 Ca 0.02 0.24 -0.02 0.00 -1.81 0.00 0.00 57.70 56.13 1gi9 n MET 126 Cb 0.58 -1.81 -0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1gi9 n MET 126 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1gi9 n TYR 127 N 2.01 -1.48 -3.56 2.03 4.01 -0.85 -4.93 117.16 114.40 1gi9 n TYR 127 Ca 0.19 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.53 1gi9 n TYR 127 Cb 0.15 -1.32 -0.11 0.00 -0.31 0.00 0.00 39.34 37.75 1gi9 n TYR 127 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1gi9 s ASN 128 N -1.68 5.99 0.30 7.72 2.47 -0.69 -5.01 114.94 124.04 1gi9 s ASN 128 Ca 0.00 -0.31 0.07 0.00 0.42 0.00 0.00 52.86 53.04 1gi9 s ASN 128 Cb 0.00 -2.12 -0.06 0.00 -1.45 0.00 0.00 41.25 37.62 1gi9 s ASN 128 CO 0.00 -0.18 -0.06 -1.81 -3.72 0.00 0.00 177.10 171.33 1gi9 s ASP 129 N 1.72 3.02 1.05 -4.21 1.01 -1.26 -4.52 116.67 113.48 1gi9 s ASP 129 Ca 0.06 -1.21 -0.14 0.00 0.71 0.00 0.00 52.55 51.97 1gi9 s ASP 129 Cb -0.17 -0.22 0.22 0.00 1.01 0.00 0.00 42.92 43.76 1gi9 s ASP 129 CO 0.10 -0.32 1.11 -2.84 0.21 0.00 0.00 175.17 173.43 1gi9 s PRO 130 N -3.70 -0.02 0.20 8.23 0.02 -1.26 -5.06 135.00 133.42 1gi9 s PRO 130 Ca 0.31 0.29 -0.04 0.00 0.02 0.00 0.00 61.00 61.57 1gi9 s PRO 130 Cb 0.04 -1.71 -0.05 0.00 0.02 0.00 0.00 34.50 32.80 1gi9 s PRO 130 CO 0.13 -2.98 0.45 -1.14 -0.33 0.00 0.00 177.00 173.13 1gi9 s GLN 131 N -5.14 3.62 0.54 5.54 0.74 -1.26 -5.01 119.66 118.69 1gi9 s GLN 131 Ca 0.67 -0.08 -0.21 0.00 0.05 0.00 0.00 55.36 55.79 1gi9 s GLN 131 Cb -0.15 -2.77 -0.07 0.00 1.10 0.00 0.00 33.01 31.12 1gi9 s GLN 131 CO 0.57 0.37 1.04 1.97 -0.55 0.00 0.00 175.29 178.68 1gi9 n PHE 132 N -0.38 1.15 0.00 1.67 -1.74 -1.26 -2.11 117.46 114.79 1gi9 n PHE 132 Ca -0.02 0.47 0.00 0.00 -0.56 0.00 0.00 57.45 57.33 1gi9 n PHE 132 Cb 0.53 -2.20 0.00 0.00 1.52 0.00 0.00 39.48 39.33 1gi9 n PHE 132 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1gi9 n GLY 133 N 1.17 2.80 3.55 4.97 0.00 0.80 -4.96 105.19 113.53 1gi9 n GLY 133 Ca 0.12 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1gi9 n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1gi9 n THR 134 N 0.00 2.27 -3.77 2.61 -1.04 -0.90 -4.47 114.28 108.98 1gi9 n THR 134 Ca 0.00 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.15 1gi9 n THR 134 Cb 0.00 -0.90 -0.07 0.00 -1.82 0.00 0.00 70.33 67.53 1gi9 n THR 134 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1gi9 s SER 135 N -0.86 6.27 0.27 8.00 0.01 -1.26 -1.21 113.70 124.92 1gi9 s SER 135 Ca 0.64 0.31 0.04 0.00 1.31 0.00 0.00 55.95 58.25 1gi9 s SER 135 Cb -0.57 -2.09 -0.06 0.00 0.21 0.00 0.00 66.02 63.51 1gi9 s SER 135 CO 0.57 0.25 0.02 0.00 0.41 0.00 0.00 173.24 174.48 1gi9 s GLU 137 N -3.88 1.38 0.13 0.00 -1.05 -0.00 -0.51 118.70 114.76 1gi9 s GLU 137 Ca 0.32 -1.38 0.07 0.00 -0.15 0.00 0.00 54.97 53.83 1gi9 s GLU 137 Cb 0.07 -1.73 -0.04 0.00 -0.44 0.00 0.00 34.13 31.99 1gi9 s GLU 137 CO 0.12 0.39 -0.17 0.96 0.95 0.00 0.00 175.26 177.51 1gi9 s ILE 138 N -1.39 1.57 0.05 1.83 -4.36 -0.61 -1.02 121.20 117.28 1gi9 s ILE 138 Ca 0.15 -1.70 -0.01 0.00 -0.26 0.00 0.00 60.65 58.84 1gi9 s ILE 138 Cb -0.09 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 1gi9 s ILE 138 CO 0.07 -0.27 -0.03 0.28 0.24 0.00 0.00 174.94 175.23 1gi9 s THR 139 N -1.76 0.23 0.00 8.37 -1.32 -1.24 -1.52 115.64 118.41 1gi9 s THR 139 Ca 0.09 -1.77 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 1gi9 s THR 139 Cb -0.07 -1.46 0.00 0.00 -1.51 0.00 0.00 72.50 69.46 1gi9 s THR 139 CO 0.04 -0.97 0.00 0.61 -2.21 0.00 0.00 174.62 172.10 1gi9 n GLY 140 N 0.18 0.00 0.98 6.08 0.00 -0.48 -4.59 105.19 107.37 1gi9 n GLY 140 Ca -0.14 -1.19 0.04 0.00 0.00 0.00 0.00 46.02 44.73 1gi9 n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gi9 n PHE 141 N -0.81 1.01 -1.71 1.61 3.72 -1.26 -1.82 117.46 118.19 1gi9 n PHE 141 Ca 0.00 -1.10 -0.29 0.00 -0.05 0.00 0.00 57.45 56.01 1gi9 n PHE 141 Cb 0.00 -0.37 0.15 0.00 -0.94 0.00 0.00 39.48 38.31 1gi9 n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1gi9 s GLY 142 N -2.11 1.64 0.64 1.37 0.00 -1.25 -4.14 107.32 103.48 1gi9 s GLY 142 Ca 0.43 -0.82 -0.17 0.00 0.00 0.00 0.00 44.72 44.16 1gi9 s GLY 142 CO 0.06 -0.18 0.59 0.28 0.00 0.00 0.00 173.10 173.85 1gi9 n LYS 143 N -3.75 0.47 0.00 2.90 5.02 -0.12 -2.00 118.16 120.68 1gi9 n LYS 143 Ca 0.10 0.19 0.11 0.00 -2.02 0.00 0.00 58.31 56.69 1gi9 n LYS 143 Cb 0.60 -1.82 -0.11 0.00 -0.02 0.00 0.00 35.03 33.67 1gi9 n LYS 143 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1gi9 n GLU 144 N -0.50 0.38 -3.71 1.97 1.02 -1.25 0.13 120.64 118.68 1gi9 n GLU 144 Ca 0.11 -0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 1gi9 n GLU 144 Cb 0.49 -1.54 -0.09 0.00 -0.02 0.00 0.00 31.44 30.28 1gi9 n GLU 144 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gi9 s ALA 145 N -3.29 -1.20 0.57 0.62 0.00 -1.26 -4.42 121.76 112.79 1gi9 s ALA 145 Ca -0.00 1.39 0.28 0.00 0.00 0.00 0.00 51.96 53.63 1gi9 s ALA 145 Cb 0.15 -0.81 1.50 0.00 0.00 0.00 0.00 23.12 23.95 1gi9 s ALA 145 CO 0.87 -0.23 1.97 0.77 0.00 0.00 0.00 175.76 179.14 1gi9 h SER 146 N 5.54 0.00 0.64 0.00 0.02 -1.91 -0.26 113.55 117.58 1gi9 h SER 146 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1gi9 h SER 146 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1gi9 h SER 146 CO 0.21 0.00 -0.23 0.35 -1.14 0.00 0.00 176.83 176.01 1gi9 n THR 147 N -3.96 0.00 -1.74 -2.27 -2.24 -1.26 -4.90 114.28 97.91 1gi9 n THR 147 Ca 0.08 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.50 1gi9 n THR 147 Cb 0.59 -0.08 0.05 0.00 -2.10 0.00 0.00 70.33 68.79 1gi9 n THR 147 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1gi9 s ASP 148 N -2.87 4.93 -0.02 3.42 1.01 -0.11 -4.93 116.67 118.11 1gi9 s ASP 148 Ca 0.16 2.13 0.02 0.00 0.71 0.00 0.00 52.55 55.58 1gi9 s ASP 148 Cb 0.19 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.59 1gi9 s ASP 148 CO 0.59 -1.75 0.92 0.00 0.21 0.00 0.00 175.17 175.13 1gi9 n TYR 149 N -2.33 0.00 -4.27 4.23 4.11 -1.26 -4.99 117.16 112.64 1gi9 n TYR 149 Ca 0.11 -0.44 -0.15 0.00 -0.00 0.00 0.00 57.90 57.42 1gi9 n TYR 149 Cb 0.51 -0.05 -0.10 0.00 -0.00 0.00 0.00 39.34 39.70 1gi9 n TYR 149 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1gi9 s LEU 150 N -0.99 2.49 0.06 -3.48 2.01 -1.26 -5.16 118.68 112.34 1gi9 s LEU 150 Ca 0.04 -1.04 0.04 0.00 0.01 0.00 0.00 54.13 53.18 1gi9 s LEU 150 Cb 0.04 -0.37 -0.04 0.00 0.01 0.00 0.00 46.19 45.82 1gi9 s LEU 150 CO 0.00 -0.34 -0.03 -0.31 1.01 0.00 0.00 176.35 176.69 1gi9 s TYR 151 N -3.30 2.95 0.91 0.29 2.02 -1.26 -4.71 117.35 114.25 1gi9 s TYR 151 Ca 0.19 -0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 56.76 1gi9 s TYR 151 Cb 0.03 -1.57 0.14 0.00 -0.40 0.00 0.00 41.96 40.16 1gi9 s TYR 151 CO 0.02 0.45 1.11 -1.25 -1.57 0.00 0.00 175.55 174.31 1gi9 s PRO 152 N -1.96 1.13 0.06 -1.71 0.04 -1.26 -4.94 135.00 126.36 1gi9 s PRO 152 Ca 0.22 1.22 0.21 0.00 0.04 0.00 0.00 61.00 62.70 1gi9 s PRO 152 Cb -0.11 -1.76 -0.18 0.00 0.04 0.00 0.00 34.50 32.49 1gi9 s PRO 152 CO 0.14 -2.45 0.72 0.39 0.04 0.00 0.00 177.00 175.84 1gi9 n GLU 153 N -4.08 0.64 -4.20 4.56 -0.58 -1.26 -4.71 120.64 111.01 1gi9 n GLU 153 Ca 0.09 -0.01 -0.35 0.00 -0.42 0.00 0.00 57.16 56.47 1gi9 n GLU 153 Cb 0.53 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.64 1gi9 n GLU 153 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1gi9 s GLN 154 N -3.33 3.10 0.39 3.49 2.00 -1.26 -0.67 119.66 123.38 1gi9 s GLN 154 Ca -0.05 -0.36 -0.27 0.00 -2.00 0.00 0.00 55.36 52.68 1gi9 s GLN 154 Cb 0.11 -2.90 -0.10 0.00 0.80 0.00 0.00 33.01 30.93 1gi9 s GLN 154 CO 0.85 0.71 1.36 -1.17 -0.50 0.00 0.00 175.29 176.54 1gi9 s LEU 155 N -1.11 4.27 0.30 3.68 2.96 -0.61 -4.88 118.68 123.30 1gi9 s LEU 155 Ca 0.16 2.79 0.06 0.00 -0.22 0.00 0.00 54.13 56.92 1gi9 s LEU 155 Cb -0.12 -3.79 -0.06 0.00 0.50 0.00 0.00 46.19 42.72 1gi9 s LEU 155 CO 0.05 -0.83 -0.02 -0.54 -1.32 0.00 0.00 176.35 173.70 1gi9 s LYS 156 N -2.13 1.58 0.11 1.98 1.02 -0.76 -0.42 119.74 121.13 1gi9 s LYS 156 Ca 0.55 -1.83 -0.13 0.00 0.02 0.00 0.00 55.97 54.57 1gi9 s LYS 156 Cb -0.41 -1.06 0.02 0.00 -0.52 0.00 0.00 37.83 35.86 1gi9 s LYS 156 CO 0.54 -0.04 0.33 1.41 -0.92 0.00 0.00 175.35 176.67 1gi9 s MET 157 N -3.78 1.00 0.26 1.68 -2.45 -0.82 -1.38 119.30 113.80 1gi9 s MET 157 Ca 0.32 -0.80 -0.20 0.00 -1.25 0.00 0.00 55.69 53.75 1gi9 s MET 157 Cb 0.06 0.43 0.02 0.00 1.25 0.00 0.00 34.83 36.58 1gi9 s MET 157 CO 0.13 -0.37 0.67 -0.08 1.05 0.00 0.00 175.02 176.42 1gi9 s THR 158 N -3.83 0.00 -0.08 10.11 -1.32 -0.57 -1.31 115.64 118.65 1gi9 s THR 158 Ca 0.04 -0.96 0.03 0.00 -1.21 0.00 0.00 61.69 59.59 1gi9 s THR 158 Cb 0.03 -1.92 -0.02 0.00 -1.51 0.00 0.00 72.50 69.08 1gi9 s THR 158 CO -0.11 -0.01 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.45 1gi9 s VAL 159 N -3.92 2.93 0.11 5.08 1.01 -1.26 -1.57 120.40 122.78 1gi9 s VAL 159 Ca 0.11 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1gi9 s VAL 159 Cb -0.05 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1gi9 s VAL 159 CO 0.05 0.57 -0.06 0.54 0.00 0.00 0.00 175.10 176.20 1gi9 s VAL 160 N -0.30 0.73 0.07 2.92 0.11 0.33 -4.87 120.40 119.40 1gi9 s VAL 160 Ca 0.02 -1.95 0.05 0.00 -2.93 0.00 0.00 61.98 57.16 1gi9 s VAL 160 Cb -0.13 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 1gi9 s VAL 160 CO 0.03 -0.81 -0.03 -0.54 -3.33 0.00 0.00 175.10 170.42 1gi9 s LYS 161 N -3.84 2.51 0.26 1.54 1.02 0.30 -0.43 119.74 121.10 1gi9 s LYS 161 Ca 0.14 -0.82 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 1gi9 s LYS 161 Cb 0.05 -2.51 -0.09 0.00 -0.52 0.00 0.00 37.83 34.76 1gi9 s LYS 161 CO -0.03 0.55 0.93 -0.51 -0.92 0.00 0.00 175.35 175.37 1gi9 s LEU 162 N -2.07 4.55 0.35 3.17 1.43 -0.35 -0.50 118.68 125.26 1gi9 s LEU 162 Ca 0.23 1.89 0.09 0.00 -1.03 0.00 0.00 54.13 55.31 1gi9 s LEU 162 Cb -0.11 -3.71 -0.06 0.00 0.03 0.00 0.00 46.19 42.33 1gi9 s LEU 162 CO 0.15 0.09 -0.03 0.27 0.23 0.00 0.00 176.35 177.06 1gi9 s ILE 163 N -1.32 2.36 0.88 -0.59 -4.36 -1.00 -0.14 121.20 117.04 1gi9 s ILE 163 Ca 0.44 -2.08 -0.12 0.00 -0.26 0.00 0.00 60.65 58.63 1gi9 s ILE 163 Cb -0.23 -2.76 0.12 0.00 1.25 0.00 0.00 42.46 40.84 1gi9 s ILE 163 CO 0.29 -0.17 1.14 -0.94 0.24 0.00 0.00 174.94 175.50 1gi9 s SER 164 N -3.67 3.77 0.08 4.36 1.04 -1.26 -4.53 113.70 113.49 1gi9 s SER 164 Ca 0.34 0.96 -0.13 0.00 0.48 0.00 0.00 55.95 57.59 1gi9 s SER 164 Cb 0.02 -1.53 -0.21 0.00 0.10 0.00 0.00 66.02 64.40 1gi9 s SER 164 CO 0.18 -2.39 1.21 0.45 0.98 0.00 0.00 173.24 173.68 1gi9 h HIS 165 N -1.38 1.04 -0.50 5.02 -0.00 -1.97 -2.55 115.15 114.82 1gi9 h HIS 165 Ca -0.49 -0.55 0.10 0.00 -0.00 0.00 0.00 60.37 59.43 1gi9 h HIS 165 Cb 1.33 -0.13 -0.09 0.00 -0.00 0.00 0.00 27.41 28.52 1gi9 h HIS 165 CO 0.31 1.39 -0.08 -0.09 -0.00 0.00 0.00 177.93 179.45 1gi9 h ARG 166 N 0.42 0.03 -0.27 2.45 9.65 -1.95 0.31 114.38 125.02 1gi9 h ARG 166 Ca -0.12 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.74 1gi9 h ARG 166 Cb 1.65 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.21 1gi9 h ARG 166 CO 0.20 0.02 0.10 1.49 2.80 0.00 0.00 179.97 184.58 1gi9 h GLU 167 N 0.04 0.41 0.00 0.20 4.81 -1.92 -3.05 114.58 115.06 1gi9 h GLU 167 Ca 0.24 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1gi9 h GLU 167 Cb 0.37 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1gi9 h GLU 167 CO -0.48 0.45 -0.31 0.00 -0.73 0.00 0.00 179.01 177.94 1gi9 n GLN 169 N -3.60 3.17 -2.74 0.00 6.02 0.11 -2.11 117.38 118.23 1gi9 n GLN 169 Ca -0.01 -2.03 -0.36 0.00 -0.01 0.00 0.00 57.00 54.59 1gi9 n GLN 169 Cb 0.44 -1.95 -0.06 0.00 1.02 0.00 0.00 30.24 29.68 1gi9 n GLN 169 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1gi9 s GLN 170 N -2.15 4.41 0.48 -1.09 -0.21 -1.04 -3.86 119.66 116.21 1gi9 s GLN 170 Ca 0.36 1.32 0.27 0.00 0.02 0.00 0.00 55.36 57.33 1gi9 s GLN 170 Cb 0.28 -2.60 1.34 0.00 1.00 0.00 0.00 33.01 33.02 1gi9 s GLN 170 CO 0.10 0.12 1.83 -1.00 -2.12 0.00 0.00 175.29 174.21 1gi9 h PRO 170 N 2.74 0.17 -0.32 2.91 0.13 -1.91 0.56 132.00 136.28 1gi9 h PRO 170 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1gi9 h PRO 170 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1gi9 h PRO 170 CO 0.63 0.11 0.00 -2.39 -0.23 0.00 0.00 178.00 176.13 1gi9 n HIS 170 N -4.38 0.43 0.00 1.56 1.44 -1.26 -4.37 115.22 108.63 1gi9 n HIS 170 Ca 0.23 -0.22 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 1gi9 n HIS 170 Cb 0.98 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.09 1gi9 n HIS 170 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1gi9 n TYR 171 N 0.51 0.00 0.15 -1.40 4.02 0.11 -4.86 117.16 115.69 1gi9 n TYR 171 Ca 0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.04 1gi9 n TYR 171 Cb 0.31 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.63 1gi9 n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1gi9 n TYR 172 N 0.00 0.00 -4.87 -0.72 4.01 -0.90 -4.93 117.16 109.75 1gi9 n TYR 172 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1gi9 n TYR 172 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1gi9 n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gi9 n GLY 173 N 0.64 1.49 0.27 2.72 0.00 -0.73 -2.38 105.19 107.19 1gi9 n GLY 173 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1gi9 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gi9 n SER 174 N -1.13 0.57 0.22 1.61 3.41 -1.26 -3.68 113.62 113.35 1gi9 n SER 174 Ca 0.00 -2.01 0.11 0.00 -0.26 0.00 0.00 58.87 56.71 1gi9 n SER 174 Cb 0.00 -0.25 0.43 0.00 -0.26 0.00 0.00 64.21 64.13 1gi9 n SER 174 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1gi9 h GLU 175 N 0.08 0.00 -5.51 4.33 4.39 -1.86 -3.41 114.58 112.59 1gi9 h GLU 175 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1gi9 h GLU 175 Cb 0.27 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.82 1gi9 h GLU 175 CO 0.00 0.18 -0.34 0.08 -1.16 0.00 0.00 179.01 177.77 1gi9 s VAL 176 N -3.53 5.31 0.36 3.13 1.01 -1.24 -4.86 120.40 120.58 1gi9 s VAL 176 Ca 0.02 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1gi9 s VAL 176 Cb 0.09 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.89 1gi9 s VAL 176 CO 0.63 0.42 0.26 0.35 0.00 0.00 0.00 175.10 176.76 1gi9 n THR 177 N 3.38 0.00 1.05 3.92 -2.24 -1.26 -4.98 114.28 114.16 1gi9 n THR 177 Ca -0.13 -1.43 0.12 0.00 -2.27 0.00 0.00 64.05 60.34 1gi9 n THR 177 Cb 0.52 -0.17 0.59 0.00 -2.10 0.00 0.00 70.33 69.17 1gi9 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1gi9 n THR 178 N -1.32 0.25 0.53 4.28 -2.24 -1.26 -2.17 114.28 112.35 1gi9 n THR 178 Ca -0.02 0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 1gi9 n THR 178 Cb 0.41 -0.64 0.27 0.00 -2.10 0.00 0.00 70.33 68.26 1gi9 n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1gi9 n LYS 179 N -1.37 2.26 -4.45 -0.78 4.76 -1.26 -4.89 118.16 112.44 1gi9 n LYS 179 Ca 0.10 -1.92 -0.22 0.00 -2.87 0.00 0.00 58.31 53.40 1gi9 n LYS 179 Cb 0.23 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 31.85 1gi9 n LYS 179 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1gi9 s MET 180 N -1.51 1.60 0.06 1.97 -1.94 -0.92 -1.04 119.30 117.50 1gi9 s MET 180 Ca 0.37 -1.78 0.03 0.00 -1.71 0.00 0.00 55.69 52.60 1gi9 s MET 180 Cb 0.21 -1.39 -0.03 0.00 2.01 0.00 0.00 34.83 35.63 1gi9 s MET 180 CO 0.29 0.14 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.83 1gi9 s LEU 181 N -3.47 2.29 0.08 -0.03 1.43 -0.09 -4.72 118.68 114.16 1gi9 s LEU 181 Ca 0.29 -0.61 0.10 0.00 -1.03 0.00 0.00 54.13 52.88 1gi9 s LEU 181 Cb 0.01 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 1gi9 s LEU 181 CO 0.13 -0.17 -0.26 0.00 0.23 0.00 0.00 176.35 176.27 1gi9 s ALA 183 N -0.90 -0.53 0.26 0.00 0.00 -0.84 -2.36 121.76 117.39 1gi9 s ALA 183 Ca 0.12 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 1gi9 s ALA 183 Cb -0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1gi9 s ALA 183 CO 0.04 -0.11 0.42 0.00 0.00 0.00 0.00 175.76 176.10 1gi9 s ALA 184 N 0.27 0.26 -0.15 0.00 0.00 0.34 -1.98 121.76 120.50 1gi9 s ALA 184 Ca -0.01 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 1gi9 s ALA 184 Cb -0.03 1.14 -0.05 0.00 0.00 0.00 0.00 23.12 24.19 1gi9 s ALA 184 CO -0.01 -0.79 0.22 0.34 0.00 0.00 0.00 175.76 175.52 1gi9 s ASP 185 N -3.10 6.38 0.40 0.00 3.68 -1.26 -0.54 116.67 122.24 1gi9 s ASP 185 Ca 0.27 0.45 0.24 0.00 2.13 0.00 0.00 52.55 55.65 1gi9 s ASP 185 Cb 0.01 -2.14 1.33 0.00 -1.45 0.00 0.00 42.92 40.67 1gi9 s ASP 185 CO 0.12 0.20 1.63 -0.65 0.13 0.00 0.00 175.17 176.61 1gi9 h PRO 185 N 6.18 0.13 -0.59 4.34 0.11 -1.95 0.19 132.00 140.40 1gi9 h PRO 185 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1gi9 h PRO 185 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1gi9 h PRO 185 CO 0.71 0.08 0.00 1.04 -0.21 0.00 0.00 178.00 179.63 1gi9 n GLN 185 N -4.88 4.51 -4.38 1.05 6.02 -1.26 -4.93 117.38 113.50 1gi9 n GLN 185 Ca 0.36 -3.08 -0.38 0.00 -0.01 0.00 0.00 57.00 53.88 1gi9 n GLN 185 Cb 1.29 -2.15 -0.06 0.00 1.02 0.00 0.00 30.24 30.34 1gi9 n GLN 185 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1gi9 n TRP 186 N 0.73 -1.37 -0.09 1.08 7.02 0.65 -4.83 117.44 120.62 1gi9 n TRP 186 Ca 0.27 0.71 -0.10 0.00 -1.02 0.00 0.00 57.50 57.36 1gi9 n TRP 186 Cb 1.10 -2.44 -0.13 0.00 -2.42 0.00 0.00 31.31 27.42 1gi9 n TRP 186 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1gi9 n LYS 187 N -4.26 1.03 -4.30 -0.99 3.00 -1.26 -4.62 118.16 106.76 1gi9 n LYS 187 Ca 0.01 0.02 -0.20 0.00 -0.00 0.00 0.00 58.31 58.14 1gi9 n LYS 187 Cb 0.52 -1.45 -0.11 0.00 0.00 0.00 0.00 35.03 33.98 1gi9 n LYS 187 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1gi9 s THR 188 N -2.43 1.64 -0.01 3.15 -1.32 -1.26 -4.44 115.64 110.97 1gi9 s THR 188 Ca -0.12 -1.88 -0.29 0.00 -1.21 0.00 0.00 61.69 58.18 1gi9 s THR 188 Cb 0.06 -1.76 0.11 0.00 -1.51 0.00 0.00 72.50 69.39 1gi9 s THR 188 CO 0.69 -0.38 1.28 -0.62 -2.21 0.00 0.00 174.62 173.37 1gi9 s ASP 189 N -2.67 -0.02 0.50 8.08 2.15 -1.05 -4.27 116.67 119.39 1gi9 s ASP 189 Ca 0.14 -0.19 -0.02 0.00 0.43 0.00 0.00 52.55 52.91 1gi9 s ASP 189 Cb -0.05 0.16 -0.01 0.00 -0.30 0.00 0.00 42.92 42.73 1gi9 s ASP 189 CO 0.05 -0.31 0.76 -0.94 -0.17 0.00 0.00 175.17 174.56 1gi9 s SER 190 N -3.47 5.83 0.25 -0.34 1.04 -1.26 -1.66 113.70 114.09 1gi9 s SER 190 Ca 0.23 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 57.14 1gi9 s SER 190 Cb 0.02 -1.71 0.02 0.00 0.10 0.00 0.00 66.02 64.44 1gi9 s SER 190 CO -0.02 -0.78 0.40 0.00 0.98 0.00 0.00 173.24 173.82 1gi9 n GLN 192 N -0.38 1.57 0.00 0.00 7.27 -1.26 -0.65 117.38 123.93 1gi9 n GLN 192 Ca -0.02 0.57 0.00 0.00 0.07 0.00 0.00 57.00 57.62 1gi9 n GLN 192 Cb 0.40 -2.25 0.00 0.00 2.41 0.00 0.00 30.24 30.80 1gi9 n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1gi9 n GLY 193 N 2.78 2.07 0.09 1.69 0.00 -1.26 -0.95 105.19 109.61 1gi9 n GLY 193 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1gi9 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gi9 n ASP 194 N 0.00 0.96 -4.49 1.61 8.00 0.18 -3.75 116.55 119.06 1gi9 n ASP 194 Ca 0.00 -0.80 -0.47 0.00 0.71 0.00 0.00 54.79 54.23 1gi9 n ASP 194 Cb 0.00 0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 1gi9 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1gi9 n SER 195 N -1.22 -0.09 0.00 -2.24 7.64 -1.26 -2.17 113.62 114.28 1gi9 n SER 195 Ca 0.06 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1gi9 n SER 195 Cb 0.35 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1gi9 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gi9 n GLY 196 N 1.68 3.12 3.78 0.23 0.00 0.41 -1.64 105.19 112.77 1gi9 n GLY 196 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1gi9 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gi9 s GLY 197 N -1.73 1.65 0.27 -0.02 0.00 -0.92 -3.28 107.32 103.29 1gi9 s GLY 197 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 1gi9 s GLY 197 CO 0.00 -0.16 0.58 2.56 0.00 0.00 0.00 173.10 176.08 1gi9 s PRO 198 N -5.53 3.74 -0.27 2.90 0.04 -1.26 -0.74 135.00 133.88 1gi9 s PRO 198 Ca 0.69 0.21 0.03 0.00 0.04 0.00 0.00 61.00 61.97 1gi9 s PRO 198 Cb -0.09 -2.61 0.07 0.00 0.04 0.00 0.00 34.50 31.90 1gi9 s PRO 198 CO 0.54 0.23 -0.08 -1.17 0.04 0.00 0.00 177.00 176.56 1gi9 s LEU 199 N -3.21 3.55 -0.12 -3.56 2.96 -0.40 -3.63 118.68 114.27 1gi9 s LEU 199 Ca 0.47 -1.50 -0.00 0.00 -0.22 0.00 0.00 54.13 52.88 1gi9 s LEU 199 Cb -0.11 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 1gi9 s LEU 199 CO 0.25 -0.23 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.26 1gi9 s VAL 200 N 1.10 3.27 0.23 1.68 1.01 -0.19 -0.87 120.40 126.64 1gi9 s VAL 200 Ca -0.05 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1gi9 s VAL 200 Cb -0.20 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1gi9 s VAL 200 CO -0.06 0.53 0.04 0.00 0.00 0.00 0.00 175.10 175.62 1gi9 s SER 202 N -3.28 6.40 -0.04 0.00 0.01 -1.26 -0.27 113.70 115.26 1gi9 s SER 202 Ca 0.31 0.47 0.02 0.00 1.31 0.00 0.00 55.95 58.06 1gi9 s SER 202 Cb 0.07 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 64.14 1gi9 s SER 202 CO 0.10 0.10 -0.09 -0.76 0.41 0.00 0.00 173.24 173.01 1gi9 s LEU 203 N 0.49 1.63 -1.23 2.44 1.43 0.10 -4.78 118.68 118.76 1gi9 s LEU 203 Ca 0.15 -0.20 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 1gi9 s LEU 203 Cb -0.13 -0.58 0.13 0.00 0.03 0.00 0.00 46.19 45.64 1gi9 s LEU 203 CO 0.03 0.03 0.42 0.00 0.23 0.00 0.00 176.35 177.06 1gi9 n GLN 204 N 3.61 -2.06 -0.11 1.70 6.02 -1.26 -0.21 117.38 125.06 1gi9 n GLN 204 Ca -0.21 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1gi9 n GLN 204 Cb 0.53 -4.78 0.00 0.00 1.02 0.00 0.00 30.24 27.01 1gi9 n GLN 204 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gi9 n GLY 205 N -0.95 1.22 3.64 1.08 0.00 -1.26 -5.05 105.19 103.87 1gi9 n GLY 205 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1gi9 n GLY 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gi9 s ARG 206 N -0.54 2.28 -0.33 1.61 0.52 0.70 -5.06 118.95 118.13 1gi9 s ARG 206 Ca 0.00 -1.39 -0.21 0.00 -0.52 0.00 0.00 55.73 53.61 1gi9 s ARG 206 Cb 0.00 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 33.30 1gi9 s ARG 206 CO 0.00 0.38 0.67 -1.64 0.02 0.00 0.00 175.30 174.73 1gi9 s MET 207 N -3.57 3.80 0.03 3.54 -1.94 -1.26 0.03 119.30 119.93 1gi9 s MET 207 Ca 0.31 0.24 0.05 0.00 -1.71 0.00 0.00 55.69 54.57 1gi9 s MET 207 Cb -0.07 -3.77 -0.03 0.00 2.01 0.00 0.00 34.83 32.97 1gi9 s MET 207 CO 0.19 -0.69 -0.09 0.99 -0.01 0.00 0.00 175.02 175.41 1gi9 s THR 208 N 2.76 3.44 -0.69 2.05 2.01 0.62 -3.15 115.64 122.69 1gi9 s THR 208 Ca 0.27 -0.94 -0.27 0.00 0.31 0.00 0.00 61.69 61.05 1gi9 s THR 208 Cb -0.14 -2.51 0.03 0.00 0.01 0.00 0.00 72.50 69.89 1gi9 s THR 208 CO 0.14 0.33 1.24 -0.22 -0.69 0.00 0.00 174.62 175.42 1gi9 s LEU 209 N -1.57 3.29 -0.10 4.42 0.20 0.21 -1.64 118.68 123.48 1gi9 s LEU 209 Ca 0.18 -0.30 0.06 0.00 0.69 0.00 0.00 54.13 54.76 1gi9 s LEU 209 Cb -0.11 -2.74 -0.24 0.00 -0.43 0.00 0.00 46.19 42.67 1gi9 s LEU 209 CO 0.08 -1.71 0.43 0.41 -0.29 0.00 0.00 176.35 175.27 1gi9 n THR 210 N 6.45 1.63 -4.07 3.68 -1.04 -0.05 -4.36 114.28 116.53 1gi9 n THR 210 Ca 0.04 -0.74 -0.10 0.00 -2.04 0.00 0.00 64.05 61.21 1gi9 n THR 210 Cb 0.49 -1.22 -0.07 0.00 -1.82 0.00 0.00 70.33 67.71 1gi9 n THR 210 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1gi9 s GLY 211 N -5.41 0.86 -0.07 3.41 0.00 -0.83 -2.85 107.32 102.44 1gi9 s GLY 211 Ca -0.13 -1.19 0.05 0.00 0.00 0.00 0.00 44.72 43.45 1gi9 s GLY 211 CO 0.79 -0.96 -0.24 -0.42 0.00 0.00 0.00 173.10 172.28 1gi9 s ILE 212 N -4.06 1.96 0.04 0.90 1.01 -1.07 -1.28 121.20 118.70 1gi9 s ILE 212 Ca 0.28 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 1gi9 s ILE 212 Cb 0.03 -1.67 -0.08 0.00 0.01 0.00 0.00 42.46 40.75 1gi9 s ILE 212 CO 0.08 0.54 1.80 -0.69 0.00 0.00 0.00 174.94 176.68 1gi9 s VAL 213 N -0.01 3.06 0.03 2.92 1.01 0.08 -1.50 120.40 126.00 1gi9 s VAL 213 Ca -0.07 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1gi9 s VAL 213 Cb -0.14 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 1gi9 s VAL 213 CO 0.05 -0.02 -0.02 -0.24 0.00 0.00 0.00 175.10 174.87 1gi9 n SER 214 N 6.67 0.55 -1.38 3.32 2.88 -0.90 -0.45 113.62 124.31 1gi9 n SER 214 Ca 0.18 0.07 -0.03 0.00 -1.33 0.00 0.00 58.87 57.77 1gi9 n SER 214 Cb 0.41 -0.20 -0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1gi9 n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1gi9 n TRP 215 N -3.01 -0.88 0.00 0.66 4.27 -1.02 -4.90 117.44 112.56 1gi9 n TRP 215 Ca -0.01 -0.44 0.00 0.00 -3.89 0.00 0.00 57.50 53.17 1gi9 n TRP 215 Cb 0.02 0.14 0.00 0.00 -1.36 0.00 0.00 31.31 30.11 1gi9 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1gi9 n GLY 216 N -0.11 2.86 3.59 -1.67 0.00 -1.26 -1.12 105.19 107.48 1gi9 n GLY 216 Ca -0.01 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1gi9 n GLY 216 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gi9 s ARG 217 N -2.00 3.89 2.58 1.61 3.52 -1.26 -4.89 118.95 122.39 1gi9 s ARG 217 Ca 0.00 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 1gi9 s ARG 217 Cb 0.00 -3.71 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 1gi9 s ARG 217 CO 0.00 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.44 1gi9 n GLY 219 N 4.59 0.00 2.96 8.12 0.00 -1.26 -4.69 105.19 114.92 1gi9 n GLY 219 Ca -0.05 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 1gi9 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gi9 n ALA 221 N 4.21 -2.03 -2.73 0.00 0.00 -1.26 -4.88 120.51 113.82 1gi9 n ALA 221 Ca -0.26 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 52.71 1gi9 n ALA 221 Cb 0.52 -2.05 -0.08 0.00 0.00 0.00 0.00 19.45 17.84 1gi9 n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gi9 s LEU 222 N -6.61 3.65 0.30 0.00 1.43 -1.26 -4.74 118.68 111.45 1gi9 s LEU 222 Ca 0.01 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.81 1gi9 s LEU 222 Cb -0.00 -2.21 -0.11 0.00 0.03 0.00 0.00 46.19 43.90 1gi9 s LEU 222 CO 0.80 0.23 1.46 -0.75 0.23 0.00 0.00 176.35 178.32 1gi9 s LYS 223 N -1.93 4.22 -1.61 1.70 2.20 -1.26 -2.23 119.74 120.83 1gi9 s LYS 223 Ca 0.24 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 1gi9 s LYS 223 Cb -0.12 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1gi9 s LYS 223 CO 0.15 -0.45 0.00 -0.25 -0.36 0.00 0.00 175.35 174.44 1gi9 n ASP 223 N 1.62 -5.43 -3.59 1.43 8.00 -1.26 -4.91 116.55 112.41 1gi9 n ASP 223 Ca 0.05 0.37 -0.27 0.00 0.71 0.00 0.00 54.79 55.65 1gi9 n ASP 223 Cb 0.40 -4.26 -0.11 0.00 -0.02 0.00 0.00 41.12 37.13 1gi9 n ASP 223 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1gi9 s LYS 224 N -3.25 1.52 1.27 -1.24 -0.14 -0.95 -4.28 119.74 112.68 1gi9 s LYS 224 Ca 0.00 -2.60 -0.20 0.00 -1.36 0.00 0.00 55.97 51.81 1gi9 s LYS 224 Cb 0.00 -2.20 0.31 0.00 -1.68 0.00 0.00 37.83 34.26 1gi9 s LYS 224 CO 0.00 -1.35 1.04 -2.14 -0.76 0.00 0.00 175.35 172.14 1gi9 s PRO 225 N -0.55 -1.78 0.07 -1.68 0.02 -1.26 -4.23 135.00 125.59 1gi9 s PRO 225 Ca 0.30 0.09 0.01 0.00 0.02 0.00 0.00 61.00 61.41 1gi9 s PRO 225 Cb 0.01 -1.52 -0.04 0.00 0.02 0.00 0.00 34.50 32.97 1gi9 s PRO 225 CO -0.19 -4.11 0.20 0.20 -0.33 0.00 0.00 177.00 172.77 1gi9 s GLY 226 N -3.51 2.12 -0.02 0.52 0.00 -0.84 -4.50 107.32 101.08 1gi9 s GLY 226 Ca 0.70 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 44.56 1gi9 s GLY 226 CO 0.57 -0.87 -0.11 0.14 0.00 0.00 0.00 173.10 172.84 1gi9 s VAL 227 N -1.52 3.36 0.14 1.40 1.01 -0.28 -1.98 120.40 122.53 1gi9 s VAL 227 Ca 0.34 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1gi9 s VAL 227 Cb -0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1gi9 s VAL 227 CO 0.27 0.49 -0.18 -0.31 0.00 0.00 0.00 175.10 175.37 1gi9 s TYR 228 N -0.86 1.72 0.04 5.22 1.51 0.36 -2.11 117.35 123.22 1gi9 s TYR 228 Ca 0.14 -0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 1gi9 s TYR 228 Cb -0.11 -0.89 -0.05 0.00 -0.11 0.00 0.00 41.96 40.81 1gi9 s TYR 228 CO 0.04 0.26 1.08 0.99 -1.11 0.00 0.00 175.55 176.81 1gi9 s THR 229 N -1.81 4.42 -1.05 -0.71 2.01 -0.56 -0.91 115.64 117.02 1gi9 s THR 229 Ca 0.11 1.77 -0.22 0.00 0.31 0.00 0.00 61.69 63.66 1gi9 s THR 229 Cb -0.07 -4.13 0.06 0.00 0.01 0.00 0.00 72.50 68.37 1gi9 s THR 229 CO 0.05 0.15 1.46 -0.60 -0.69 0.00 0.00 174.62 175.00 1gi9 s ARG 230 N 0.91 3.64 0.36 4.92 3.52 -0.21 -2.61 118.95 129.47 1gi9 s ARG 230 Ca 0.55 -1.27 0.15 0.00 -0.13 0.00 0.00 55.73 55.02 1gi9 s ARG 230 Cb -0.25 -5.35 1.02 0.00 -1.56 0.00 0.00 34.95 28.81 1gi9 s ARG 230 CO 0.29 -2.19 1.73 0.28 -0.81 0.00 0.00 175.30 174.60 1gi9 h VAL 231 N 6.59 0.48 -0.48 7.11 2.07 -1.83 -1.51 116.25 128.68 1gi9 h VAL 231 Ca 0.23 -0.15 0.14 0.00 0.82 0.00 0.00 66.70 67.73 1gi9 h VAL 231 Cb 0.99 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1gi9 h VAL 231 CO 1.41 0.08 0.43 0.77 0.02 0.00 0.00 177.57 180.28 1gi9 h SER 232 N 0.45 0.00 0.02 0.57 4.64 -1.87 0.45 113.55 117.81 1gi9 h SER 232 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1gi9 h SER 232 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1gi9 h SER 232 CO -0.42 0.00 -0.04 1.41 -0.87 0.00 0.00 176.83 176.91 1gi9 n HIS 233 N -3.97 0.00 0.26 4.77 8.25 -0.57 -2.01 115.22 121.95 1gi9 n HIS 233 Ca 0.09 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.59 1gi9 n HIS 233 Cb 0.63 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.76 1gi9 n HIS 233 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1gi9 n PHE 234 N 0.07 0.05 -0.29 4.41 3.01 0.14 -4.78 117.46 120.06 1gi9 n PHE 234 Ca 0.18 -0.07 0.12 0.00 1.01 0.00 0.00 57.45 58.69 1gi9 n PHE 234 Cb 0.36 -0.00 0.28 0.00 -0.01 0.00 0.00 39.48 40.10 1gi9 n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1gi9 h LEU 235 N 1.51 0.13 0.08 4.37 3.38 -1.66 0.25 115.31 123.37 1gi9 h LEU 235 Ca 0.00 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1gi9 h LEU 235 Cb 0.37 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1gi9 h LEU 235 CO 0.00 -0.08 -0.04 -0.65 0.09 0.00 0.00 178.44 177.76 1gi9 h PRO 236 N 0.29 -0.10 -0.28 1.13 0.11 -1.91 -0.01 132.00 131.23 1gi9 h PRO 236 Ca 0.54 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.72 1gi9 h PRO 236 Cb 1.04 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.09 1gi9 h PRO 236 CO -0.58 -0.03 -0.30 2.35 -0.21 0.00 0.00 178.00 179.22 1gi9 h TRP 237 N -0.14 -0.84 -0.33 0.65 7.01 -1.57 0.29 115.95 121.02 1gi9 h TRP 237 Ca -0.01 0.05 0.06 0.00 2.11 0.00 0.00 58.89 61.10 1gi9 h TRP 237 Cb 0.12 0.41 -0.05 0.00 -2.10 0.00 0.00 29.16 27.53 1gi9 h TRP 237 CO -0.06 -0.37 -0.00 0.82 -2.79 0.00 0.00 178.44 176.03 1gi9 h ILE 238 N -0.30 0.75 -0.42 2.65 2.04 -0.72 -2.32 117.51 119.20 1gi9 h ILE 238 Ca 0.14 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 1gi9 h ILE 238 Cb 0.52 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1gi9 h ILE 238 CO -0.45 0.02 0.15 0.03 0.00 0.00 0.00 178.15 177.89 1gi9 h ARG 239 N 0.09 0.65 -1.18 2.37 3.08 0.19 0.21 114.38 119.79 1gi9 h ARG 239 Ca 0.16 -0.13 0.33 0.00 0.07 0.00 0.00 59.98 60.41 1gi9 h ARG 239 Cb 0.22 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 1gi9 h ARG 239 CO -0.27 0.62 0.81 0.77 -1.07 0.00 0.00 179.97 180.84 1gi9 h SER 240 N 0.54 0.16 0.00 7.04 0.02 0.08 -1.90 113.55 119.49 1gi9 h SER 240 Ca 0.14 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1gi9 h SER 240 Cb 0.24 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1gi9 h SER 240 CO -0.01 0.01 -1.12 1.41 -1.14 0.00 0.00 176.83 175.98 1gi9 n HIS 241 N -4.35 0.00 -0.46 3.45 8.25 -0.96 -5.12 115.22 116.03 1gi9 n HIS 241 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1gi9 n HIS 241 Cb 1.17 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 32.13 1gi9 n HIS 241 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39