#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ge8 s PHE 3 N 0.00 -0.21 -0.19 6.00 -0.12 -0.78 -1.62 117.98 121.06 1ge8 s PHE 3 Ca 0.00 -0.04 -0.04 0.00 -0.05 0.00 0.00 56.93 56.80 1ge8 s PHE 3 Cb 0.00 0.60 0.08 0.00 -0.63 0.00 0.00 43.02 43.08 1ge8 s PHE 3 CO 0.00 -0.72 0.18 -2.00 -0.05 0.00 0.00 175.22 172.62 1ge8 s GLU 4 N -3.22 0.15 -0.10 1.99 2.12 0.38 -1.90 118.70 118.11 1ge8 s GLU 4 Ca 0.10 0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.56 1ge8 s GLU 4 Cb -0.01 -1.42 -0.00 0.00 0.26 0.00 0.00 34.13 32.96 1ge8 s GLU 4 CO -0.02 -0.67 -0.23 0.42 -0.54 0.00 0.00 175.26 174.22 1ge8 s ILE 5 N 2.26 2.13 -0.13 -3.70 1.01 0.52 -1.25 121.20 122.04 1ge8 s ILE 5 Ca 0.05 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1ge8 s ILE 5 Cb -0.16 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1ge8 s ILE 5 CO -0.11 0.56 -0.17 -0.69 0.00 0.00 0.00 174.94 174.52 1ge8 s VAL 6 N 0.34 2.64 -0.10 2.92 1.01 0.36 -0.39 120.40 127.19 1ge8 s VAL 6 Ca -0.18 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1ge8 s VAL 6 Cb -0.18 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1ge8 s VAL 6 CO 0.09 0.53 -0.20 0.12 0.00 0.00 0.00 175.10 175.64 1ge8 s PHE 7 N 0.47 2.24 -0.24 5.22 5.36 0.08 -0.97 117.98 130.14 1ge8 s PHE 7 Ca -0.12 -0.95 -0.20 0.00 -0.96 0.00 0.00 56.93 54.70 1ge8 s PHE 7 Cb -0.16 -1.54 -0.02 0.00 -0.34 0.00 0.00 43.02 40.96 1ge8 s PHE 7 CO 0.05 -0.42 0.61 -1.21 -1.46 0.00 0.00 175.22 172.79 1ge8 s GLU 8 N 0.57 4.12 0.00 10.12 0.41 -1.26 -0.22 118.70 132.45 1ge8 s GLU 8 Ca -0.15 0.53 0.00 0.00 -0.41 0.00 0.00 54.97 54.95 1ge8 s GLU 8 Cb -0.17 -3.64 0.00 0.00 -1.78 0.00 0.00 34.13 28.55 1ge8 s GLU 8 CO 0.05 -0.37 0.00 0.41 -0.49 0.00 0.00 175.26 174.86 1ge8 n GLY 9 N 4.12 0.77 0.29 -1.39 0.00 0.13 -4.97 105.19 104.14 1ge8 n GLY 9 Ca -0.01 -0.74 0.08 0.00 0.00 0.00 0.00 46.02 45.35 1ge8 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ge8 h ALA 10 N 0.00 1.13 -0.68 4.61 0.00 -1.07 -1.54 119.26 121.71 1ge8 h ALA 10 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1ge8 h ALA 10 Cb 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1ge8 h ALA 10 CO 0.00 -0.34 0.33 -0.22 0.00 0.00 0.00 179.25 179.02 1ge8 h LYS 11 N 0.31 0.55 -0.61 0.00 3.64 -1.64 0.44 116.57 119.27 1ge8 h LYS 11 Ca 0.47 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.84 1ge8 h LYS 11 Cb 0.84 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 1ge8 h LYS 11 CO -0.53 0.37 0.38 1.49 -2.27 0.00 0.00 179.45 178.89 1ge8 h GLU 12 N 0.57 0.73 -0.39 1.90 4.57 -1.59 -0.05 114.58 120.31 1ge8 h GLU 12 Ca 0.34 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.42 1ge8 h GLU 12 Cb 0.35 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1ge8 h GLU 12 CO -0.27 0.48 0.02 0.35 -1.18 0.00 0.00 179.01 178.41 1ge8 h PHE 13 N 0.75 0.72 -0.56 0.92 3.57 -1.24 -2.39 116.94 118.71 1ge8 h PHE 13 Ca 0.24 -0.12 0.08 0.00 3.53 0.00 0.00 57.97 61.71 1ge8 h PHE 13 Cb 0.01 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.49 1ge8 h PHE 13 CO -0.05 0.74 0.21 0.00 -2.23 0.00 0.00 178.31 176.98 1ge8 h ALA 14 N 0.89 0.71 -0.58 2.41 0.00 -0.40 -1.53 119.26 120.76 1ge8 h ALA 14 Ca 0.11 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1ge8 h ALA 14 Cb 0.44 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1ge8 h ALA 14 CO 0.02 -0.19 0.27 1.96 0.00 0.00 0.00 179.25 181.30 1ge8 h GLN 15 N 0.39 0.49 -0.06 0.00 4.20 -0.72 0.10 115.11 119.52 1ge8 h GLN 15 Ca 0.28 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 1ge8 h GLN 15 Cb 0.31 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1ge8 h GLN 15 CO -0.27 0.32 0.03 1.25 -0.67 0.00 0.00 178.83 179.49 1ge8 h LEU 16 N 0.50 0.07 -0.70 1.46 5.85 -0.84 -1.19 115.31 120.47 1ge8 h LEU 16 Ca 0.27 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1ge8 h LEU 16 Cb 0.24 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1ge8 h LEU 16 CO -0.22 0.11 0.40 0.40 -0.34 0.00 0.00 178.44 178.79 1ge8 h ILE 17 N 0.02 1.21 -0.39 4.05 1.08 -0.93 -2.06 117.51 120.50 1ge8 h ILE 17 Ca 0.02 -0.51 0.04 0.00 -0.39 0.00 0.00 64.86 64.03 1ge8 h ILE 17 Cb 0.05 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.04 1ge8 h ILE 17 CO -0.00 0.23 0.14 -0.78 -0.69 0.00 0.00 178.15 177.04 1ge8 h ASP 18 N 0.96 0.15 -0.43 1.72 3.58 -0.52 0.10 116.42 121.98 1ge8 h ASP 18 Ca 0.25 0.04 0.06 0.00 0.42 0.00 0.00 57.03 57.80 1ge8 h ASP 18 Cb 0.02 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.04 1ge8 h ASP 18 CO -0.04 0.12 0.14 0.74 -2.88 0.00 0.00 179.24 177.32 1ge8 h THR 19 N 0.30 0.85 -0.90 2.25 2.02 -0.80 -1.93 112.91 114.70 1ge8 h THR 19 Ca 0.18 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1ge8 h THR 19 Cb 0.15 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1ge8 h THR 19 CO -0.18 0.06 0.49 0.00 0.37 0.00 0.00 175.52 176.26 1ge8 h ALA 20 N 1.29 1.15 0.00 6.16 0.00 -0.66 -2.43 119.26 124.77 1ge8 h ALA 20 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ge8 h ALA 20 Cb 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ge8 h ALA 20 CO -0.22 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.35 1ge8 h SER 21 N 1.25 0.00 0.57 0.00 4.64 -0.05 0.13 113.55 120.09 1ge8 h SER 21 Ca 0.32 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.60 1ge8 h SER 21 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1ge8 h SER 21 CO -0.05 0.00 -0.16 0.11 -0.87 0.00 0.00 176.83 175.86 1ge8 h LYS 22 N 0.00 0.00 0.00 4.77 1.79 -1.07 -3.30 116.57 118.76 1ge8 h LYS 22 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 1ge8 h LYS 22 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1ge8 h LYS 22 CO 0.00 0.16 -1.29 1.28 -1.08 0.00 0.00 179.45 178.53 1ge8 n LEU 23 N -3.54 0.75 -4.52 2.94 7.99 -0.76 -5.03 117.00 114.82 1ge8 n LEU 23 Ca -0.01 -0.01 -0.33 0.00 -0.01 0.00 0.00 56.01 55.65 1ge8 n LEU 23 Cb 0.31 0.03 -0.12 0.00 -0.11 0.00 0.00 43.42 43.53 1ge8 n LEU 23 CO 0.31 0.22 -0.40 -0.63 -1.51 0.00 0.00 177.39 175.38 1ge8 s ILE 24 N -2.10 3.48 -0.22 -0.08 -1.09 0.37 -4.06 121.20 117.49 1ge8 s ILE 24 Ca -0.03 -0.55 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 1ge8 s ILE 24 Cb 0.01 -2.42 -0.20 0.00 -1.58 0.00 0.00 42.46 38.28 1ge8 s ILE 24 CO 0.16 0.58 -0.06 0.47 -1.23 0.00 0.00 174.94 174.86 1ge8 n ASP 25 N 2.49 1.85 -3.94 3.58 8.00 -1.26 -3.97 116.55 123.29 1ge8 n ASP 25 Ca -0.18 -0.04 -0.10 0.00 0.71 0.00 0.00 54.79 55.19 1ge8 n ASP 25 Cb 0.53 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 41.12 1ge8 n ASP 25 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1ge8 s GLU 26 N -2.53 0.46 0.02 -1.24 -1.05 -1.26 -0.68 118.70 112.42 1ge8 s GLU 26 Ca -0.30 -0.63 -0.28 0.00 -0.15 0.00 0.00 54.97 53.61 1ge8 s GLU 26 Cb 0.08 0.18 0.09 0.00 -0.44 0.00 0.00 34.13 34.04 1ge8 s GLU 26 CO 0.66 -0.10 0.79 0.00 0.95 0.00 0.00 175.26 177.56 1ge8 s ALA 27 N -1.93 -1.76 -0.18 -0.84 0.00 -1.00 -4.94 121.76 111.10 1ge8 s ALA 27 Ca -0.11 0.97 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 1ge8 s ALA 27 Cb -0.06 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 1ge8 s ALA 27 CO -0.02 -0.62 0.15 0.00 0.00 0.00 0.00 175.76 175.27 1ge8 s ALA 28 N -2.81 3.70 -0.20 0.00 0.00 -1.26 -1.89 121.76 119.29 1ge8 s ALA 28 Ca 0.01 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 1ge8 s ALA 28 Cb -0.01 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1ge8 s ALA 28 CO -0.07 0.21 0.06 -0.06 0.00 0.00 0.00 175.76 175.91 1ge8 s PHE 29 N 0.20 3.19 -0.31 0.00 0.40 0.12 -4.39 117.98 117.19 1ge8 s PHE 29 Ca 0.10 -0.06 -0.16 0.00 -0.60 0.00 0.00 56.93 56.21 1ge8 s PHE 29 Cb -0.11 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 1ge8 s PHE 29 CO -0.00 0.01 0.43 0.15 0.70 0.00 0.00 175.22 176.51 1ge8 s LYS 30 N 0.72 3.79 -0.34 0.44 3.01 0.63 -0.84 119.74 127.15 1ge8 s LYS 30 Ca 0.03 -0.10 -0.08 0.00 -1.01 0.00 0.00 55.97 54.81 1ge8 s LYS 30 Cb -0.13 -3.74 0.03 0.00 -1.01 0.00 0.00 37.83 32.98 1ge8 s LYS 30 CO 0.02 -0.46 0.13 0.08 0.51 0.00 0.00 175.35 175.63 1ge8 s VAL 31 N 2.19 4.08 0.51 3.17 1.01 -0.06 -1.26 120.40 130.04 1ge8 s VAL 31 Ca 0.16 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1ge8 s VAL 31 Cb -0.16 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1ge8 s VAL 31 CO 0.11 -0.14 0.01 0.42 0.00 0.00 0.00 175.10 175.50 1ge8 s THR 32 N 1.47 1.10 0.36 3.92 -4.23 -0.34 -1.60 115.64 116.32 1ge8 s THR 32 Ca 0.00 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.79 1ge8 s THR 32 Cb -0.19 -2.14 0.29 0.00 1.34 0.00 0.00 72.50 71.79 1ge8 s THR 32 CO 0.04 0.00 2.03 -0.33 -0.54 0.00 0.00 174.62 175.82 1ge8 h GLU 33 N 1.36 0.00 0.00 3.99 3.07 -1.97 -2.91 114.58 118.12 1ge8 h GLU 33 Ca -0.43 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.21 1ge8 h GLU 33 Cb 1.32 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.19 1ge8 h GLU 33 CO 0.73 0.14 -1.17 -0.44 -1.40 0.00 0.00 179.01 176.87 1ge8 h ASP 34 N 0.00 0.00 0.00 1.42 3.45 -1.97 -3.45 116.42 115.86 1ge8 h ASP 34 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ge8 h ASP 34 Cb 0.42 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 1ge8 h ASP 34 CO 0.02 0.90 0.00 0.61 -1.57 0.00 0.00 179.24 179.20 1ge8 n GLY 35 N 1.40 -1.04 3.38 2.75 0.00 -1.10 -1.66 105.19 108.91 1ge8 n GLY 35 Ca -0.05 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 1ge8 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ge8 s ILE 36 N -3.00 3.12 0.12 -0.61 1.01 0.11 -1.20 121.20 120.75 1ge8 s ILE 36 Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1ge8 s ILE 36 Cb 0.00 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1ge8 s ILE 36 CO 0.00 0.52 -0.13 -0.94 0.00 0.00 0.00 174.94 174.39 1ge8 s SER 37 N 0.34 1.95 -0.22 3.58 1.04 -0.39 0.27 113.70 120.28 1ge8 s SER 37 Ca -0.10 -0.82 -0.19 0.00 0.48 0.00 0.00 55.95 55.31 1ge8 s SER 37 Cb -0.16 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 65.96 1ge8 s SER 37 CO 0.06 -0.16 0.58 -0.32 0.98 0.00 0.00 173.24 174.37 1ge8 s MET 38 N -2.75 0.66 -0.01 4.02 0.00 -0.45 -0.26 119.30 120.50 1ge8 s MET 38 Ca 0.09 0.85 0.00 0.00 0.00 0.00 0.00 55.69 56.64 1ge8 s MET 38 Cb -0.04 0.28 0.01 0.00 0.00 0.00 0.00 34.83 35.08 1ge8 s MET 38 CO 0.03 -0.09 0.00 0.50 0.00 0.00 0.00 175.02 175.46 1ge8 s ARG 39 N 0.54 0.08 0.11 4.11 3.52 -1.26 -0.29 118.95 125.76 1ge8 s ARG 39 Ca -0.02 0.05 -0.26 0.00 -0.13 0.00 0.00 55.73 55.37 1ge8 s ARG 39 Cb -0.05 -0.20 0.07 0.00 -1.56 0.00 0.00 34.95 33.22 1ge8 s ARG 39 CO -0.03 -0.06 0.90 0.00 -0.81 0.00 0.00 175.30 175.30 1ge8 s ALA 40 N 0.48 -1.68 0.18 6.12 0.00 -0.61 -4.80 121.76 121.45 1ge8 s ALA 40 Ca -0.04 0.43 0.10 0.00 0.00 0.00 0.00 51.96 52.44 1ge8 s ALA 40 Cb -0.06 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1ge8 s ALA 40 CO -0.01 -0.90 -0.15 -1.64 0.00 0.00 0.00 175.76 173.05 1ge8 s MET 41 N -3.29 1.86 0.91 0.00 -1.94 -1.26 -0.08 119.30 115.50 1ge8 s MET 41 Ca 0.09 -1.34 -0.13 0.00 -1.71 0.00 0.00 55.69 52.60 1ge8 s MET 41 Cb -0.01 -2.06 0.14 0.00 2.01 0.00 0.00 34.83 34.91 1ge8 s MET 41 CO -0.02 0.43 1.16 0.16 -0.01 0.00 0.00 175.02 176.74 1ge8 s ASP 42 N -2.70 3.51 0.41 3.03 -4.77 -0.59 -4.86 116.67 110.70 1ge8 s ASP 42 Ca 0.23 0.83 0.11 0.00 -3.30 0.00 0.00 52.55 50.42 1ge8 s ASP 42 Cb -0.09 -1.31 0.94 0.00 -1.09 0.00 0.00 42.92 41.37 1ge8 s ASP 42 CO 0.13 -2.53 1.97 -0.65 0.70 0.00 0.00 175.17 174.79 1ge8 h PRO 43 N -1.49 0.50 -0.00 2.11 0.11 -1.93 -1.53 132.00 129.77 1ge8 h PRO 43 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ge8 h PRO 43 Cb 1.32 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ge8 h PRO 43 CO 0.59 0.33 -0.11 -1.13 -0.21 0.00 0.00 178.00 177.46 1ge8 n SER 44 N -4.48 0.36 -2.39 -2.05 3.41 -1.26 -4.92 113.62 102.29 1ge8 n SER 44 Ca 0.10 -0.37 -0.19 0.00 -0.26 0.00 0.00 58.87 58.15 1ge8 n SER 44 Cb 0.33 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1ge8 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ge8 n ARG 45 N -1.10 -3.15 -0.08 4.33 5.12 -0.58 -4.89 116.66 116.32 1ge8 n ARG 45 Ca 0.13 0.81 -0.07 0.00 -1.93 0.00 0.00 57.85 56.79 1ge8 n ARG 45 Cb 0.28 -5.36 -0.13 0.00 -1.16 0.00 0.00 32.46 26.09 1ge8 n ARG 45 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ge8 n VAL 46 N -4.22 1.05 -5.14 1.55 0.31 -1.26 -4.95 118.33 105.68 1ge8 n VAL 46 Ca -0.14 -0.68 -0.32 0.00 -0.01 0.00 0.00 64.34 63.19 1ge8 n VAL 46 Cb 0.63 -0.53 -0.16 0.00 -0.91 0.00 0.00 33.84 32.87 1ge8 n VAL 46 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ge8 s VAL 47 N -2.44 2.31 -0.08 2.52 1.01 -1.26 -1.14 120.40 121.32 1ge8 s VAL 47 Ca -0.08 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1ge8 s VAL 47 Cb 0.05 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1ge8 s VAL 47 CO 0.67 0.56 -0.10 -0.22 0.00 0.00 0.00 175.10 176.01 1ge8 s LEU 48 N 0.04 2.94 -0.08 3.92 0.20 0.01 -1.54 118.68 124.17 1ge8 s LEU 48 Ca -0.09 -0.14 0.04 0.00 0.69 0.00 0.00 54.13 54.63 1ge8 s LEU 48 Cb -0.15 -1.63 0.00 0.00 -0.43 0.00 0.00 46.19 43.98 1ge8 s LEU 48 CO 0.05 0.31 -0.20 -0.51 -0.29 0.00 0.00 176.35 175.72 1ge8 s ILE 49 N -0.52 1.75 -0.15 6.68 2.07 0.89 -1.15 121.20 130.77 1ge8 s ILE 49 Ca 0.07 -0.85 0.00 0.00 -1.41 0.00 0.00 60.65 58.47 1ge8 s ILE 49 Cb -0.12 -1.53 0.03 0.00 0.13 0.00 0.00 42.46 40.98 1ge8 s ILE 49 CO 0.02 0.49 -0.10 -0.62 -1.91 0.00 0.00 174.94 172.82 1ge8 s ASP 50 N 0.39 2.68 0.00 4.50 2.15 0.62 -1.57 116.67 125.44 1ge8 s ASP 50 Ca -0.16 -0.53 0.07 0.00 0.43 0.00 0.00 52.55 52.37 1ge8 s ASP 50 Cb -0.17 -1.05 -0.03 0.00 -0.30 0.00 0.00 42.92 41.38 1ge8 s ASP 50 CO 0.07 -0.11 -0.22 -0.22 -0.17 0.00 0.00 175.17 174.52 1ge8 s LEU 51 N 1.56 2.33 -0.09 -1.34 2.96 0.60 -0.47 118.68 124.23 1ge8 s LEU 51 Ca 0.03 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1ge8 s LEU 51 Cb -0.14 -1.41 0.05 0.00 0.50 0.00 0.00 46.19 45.20 1ge8 s LEU 51 CO -0.09 0.30 0.13 0.21 -1.32 0.00 0.00 176.35 175.58 1ge8 s ASN 52 N -0.97 1.06 -0.32 3.68 2.47 -0.28 -1.34 114.94 119.23 1ge8 s ASN 52 Ca 0.12 0.13 -0.00 0.00 0.42 0.00 0.00 52.86 53.52 1ge8 s ASN 52 Cb -0.10 0.13 0.07 0.00 -1.45 0.00 0.00 41.25 39.90 1ge8 s ASN 52 CO 0.01 -0.26 0.04 -0.76 -3.72 0.00 0.00 177.10 172.41 1ge8 s LEU 53 N 2.25 4.27 0.58 3.21 1.43 0.14 -0.37 118.68 130.20 1ge8 s LEU 53 Ca 0.04 -1.59 -0.17 0.00 -1.03 0.00 0.00 54.13 51.38 1ge8 s LEU 53 Cb -0.13 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1ge8 s LEU 53 CO -0.06 -0.33 1.08 -2.84 0.23 0.00 0.00 176.35 174.43 1ge8 s PRO 54 N 1.15 3.28 0.62 1.29 0.02 -1.26 0.06 135.00 140.16 1ge8 s PRO 54 Ca -0.00 1.33 0.32 0.00 0.02 0.00 0.00 61.00 62.67 1ge8 s PRO 54 Cb -0.20 -2.02 1.76 0.00 0.02 0.00 0.00 34.50 34.06 1ge8 s PRO 54 CO -0.03 -0.86 2.08 0.66 -0.33 0.00 0.00 177.00 178.52 1ge8 h SER 55 N 0.63 0.00 0.32 2.53 4.64 -1.64 -2.22 113.55 117.81 1ge8 h SER 55 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ge8 h SER 55 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ge8 h SER 55 CO 0.57 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.30 1ge8 h SER 56 N 0.00 0.00 -0.15 4.97 4.64 -1.91 -2.05 113.55 119.05 1ge8 h SER 56 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ge8 h SER 56 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1ge8 h SER 56 CO -0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 1ge8 n ILE 57 N -2.97 0.18 -4.25 0.95 -5.35 -0.83 -4.86 119.36 102.23 1ge8 n ILE 57 Ca -0.02 -0.44 -0.35 0.00 -0.27 0.00 0.00 62.75 61.67 1ge8 n ILE 57 Cb 0.14 0.76 -0.09 0.00 -1.74 0.00 0.00 39.64 38.72 1ge8 n ILE 57 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1ge8 s PHE 58 N -1.82 3.23 -0.36 4.28 0.40 -0.77 -4.72 117.98 118.22 1ge8 s PHE 58 Ca 0.34 0.23 0.27 0.00 -0.60 0.00 0.00 56.93 57.17 1ge8 s PHE 58 Cb 0.20 -1.79 1.00 0.00 0.51 0.00 0.00 43.02 42.93 1ge8 s PHE 58 CO 0.30 0.52 1.79 0.66 0.70 0.00 0.00 175.22 179.19 1ge8 h SER 59 N 4.90 0.00 -3.02 1.36 4.64 -1.35 -3.42 113.55 116.67 1ge8 h SER 59 Ca -0.51 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 1ge8 h SER 59 Cb 1.19 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.05 1ge8 h SER 59 CO 0.56 0.00 -0.11 -0.75 -0.87 0.00 0.00 176.83 175.66 1ge8 s LYS 60 N -3.36 0.58 -0.31 4.77 2.20 -1.20 -4.99 119.74 117.43 1ge8 s LYS 60 Ca 0.05 1.08 -0.02 0.00 -0.36 0.00 0.00 55.97 56.71 1ge8 s LYS 60 Cb 0.09 0.12 0.11 0.00 -1.51 0.00 0.00 37.83 36.64 1ge8 s LYS 60 CO 0.50 -0.16 0.14 -0.47 -0.36 0.00 0.00 175.35 175.00 1ge8 s TYR 61 N 1.65 0.83 -0.29 4.03 5.04 -1.26 -0.48 117.35 126.87 1ge8 s TYR 61 Ca -0.09 -1.31 0.02 0.00 -2.44 0.00 0.00 57.07 53.24 1ge8 s TYR 61 Cb -0.07 -1.16 0.07 0.00 0.35 0.00 0.00 41.96 41.14 1ge8 s TYR 61 CO -0.17 -0.84 -0.05 -2.00 -1.34 0.00 0.00 175.55 171.15 1ge8 s GLU 62 N 1.70 2.16 -0.32 4.97 2.56 -0.38 -5.02 118.70 124.38 1ge8 s GLU 62 Ca 0.11 -1.43 -0.03 0.00 0.00 0.00 0.00 54.97 53.63 1ge8 s GLU 62 Cb -0.18 -3.04 0.05 0.00 2.00 0.00 0.00 34.13 32.97 1ge8 s GLU 62 CO -0.25 -0.66 0.03 0.08 -0.56 0.00 0.00 175.26 173.90 1ge8 s VAL 63 N 1.11 3.13 -0.02 3.70 1.01 -1.26 -0.47 120.40 127.60 1ge8 s VAL 63 Ca -0.04 -1.41 -0.25 0.00 0.00 0.00 0.00 61.98 60.28 1ge8 s VAL 63 Cb -0.20 -2.83 -0.18 0.00 0.00 0.00 0.00 36.38 33.16 1ge8 s VAL 63 CO -0.04 -0.17 1.17 0.58 0.00 0.00 0.00 175.10 176.63 1ge8 h VAL 64 N 6.41 1.12 -3.61 2.92 2.07 -1.70 -3.45 116.25 120.02 1ge8 h VAL 64 Ca -0.21 -1.02 -0.26 0.00 0.82 0.00 0.00 66.70 66.03 1ge8 h VAL 64 Cb 1.06 1.75 -0.31 0.00 -1.52 0.00 0.00 31.29 32.27 1ge8 h VAL 64 CO 0.56 0.24 -0.71 -1.61 0.02 0.00 0.00 177.57 176.06 1ge8 s GLU 65 N -4.16 -0.01 0.81 1.57 0.41 -1.19 -4.96 118.70 111.17 1ge8 s GLU 65 Ca -0.15 0.10 -0.13 0.00 -0.41 0.00 0.00 54.97 54.38 1ge8 s GLU 65 Cb 0.01 -0.11 0.07 0.00 -1.78 0.00 0.00 34.13 32.32 1ge8 s GLU 65 CO 0.60 -0.08 1.11 -0.35 -0.49 0.00 0.00 175.26 176.05 1ge8 n PRO 66 N 3.60 0.16 -3.60 0.39 -0.04 -1.26 -2.91 135.00 131.35 1ge8 n PRO 66 Ca -0.19 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.28 1ge8 n PRO 66 Cb 0.55 -2.36 -0.06 0.00 -0.04 0.00 0.00 33.50 31.59 1ge8 n PRO 66 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1ge8 s GLU 67 N -3.98 0.63 -0.18 0.54 2.12 -0.62 -4.73 118.70 112.47 1ge8 s GLU 67 Ca 0.72 0.37 -0.06 0.00 0.36 0.00 0.00 54.97 56.36 1ge8 s GLU 67 Cb -0.29 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.36 1ge8 s GLU 67 CO 0.52 -0.15 0.02 0.99 -0.54 0.00 0.00 175.26 176.10 1ge8 s THR 68 N -0.56 4.33 -0.02 -1.70 2.01 -1.26 -0.88 115.64 117.56 1ge8 s THR 68 Ca -0.01 -0.19 0.06 0.00 0.31 0.00 0.00 61.69 61.85 1ge8 s THR 68 Cb -0.02 -2.94 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 1ge8 s THR 68 CO -0.00 0.46 -0.20 0.27 -0.69 0.00 0.00 174.62 174.46 1ge8 s ILE 69 N 0.50 1.56 -0.11 1.82 -4.36 -0.02 -4.93 121.20 115.65 1ge8 s ILE 69 Ca 0.00 -0.83 -0.06 0.00 -0.26 0.00 0.00 60.65 59.50 1ge8 s ILE 69 Cb -0.13 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.23 1ge8 s ILE 69 CO 0.02 0.44 0.10 -0.83 0.24 0.00 0.00 174.94 174.91 1ge8 s GLY 70 N -0.37 2.07 0.03 6.27 0.00 -1.15 0.14 107.32 114.32 1ge8 s GLY 70 Ca 0.05 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 43.99 1ge8 s GLY 70 CO -0.00 -0.42 0.20 -1.34 0.00 0.00 0.00 173.10 171.54 1ge8 s VAL 71 N -0.96 0.10 -0.35 1.40 -7.23 -0.79 -1.44 120.40 111.12 1ge8 s VAL 71 Ca 0.14 -0.81 -0.25 0.00 -1.81 0.00 0.00 61.98 59.25 1ge8 s VAL 71 Cb -0.12 -0.81 0.01 0.00 0.56 0.00 0.00 36.38 36.03 1ge8 s VAL 71 CO 0.03 -0.45 0.89 0.21 -0.31 0.00 0.00 175.10 175.47 1ge8 s ASN 72 N -1.90 6.67 0.39 4.85 3.84 -1.26 -2.37 114.94 125.16 1ge8 s ASN 72 Ca -0.07 0.59 0.12 0.00 0.21 0.00 0.00 52.86 53.70 1ge8 s ASN 72 Cb -0.02 -2.45 0.79 0.00 -0.55 0.00 0.00 41.25 39.01 1ge8 s ASN 72 CO -0.02 -0.80 1.88 -0.07 -2.79 0.00 0.00 177.10 175.30 1ge8 h LEU 73 N 9.91 0.08 -0.39 3.21 3.38 -1.21 -1.10 115.31 129.19 1ge8 h LEU 73 Ca -0.23 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1ge8 h LEU 73 Cb 1.08 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1ge8 h LEU 73 CO 0.96 0.35 0.15 0.44 0.09 0.00 0.00 178.44 180.43 1ge8 h ASP 74 N 0.07 0.53 -0.39 -0.43 3.32 -1.87 0.01 116.42 117.67 1ge8 h ASP 74 Ca 0.01 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 56.74 1ge8 h ASP 74 Cb 0.51 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1ge8 h ASP 74 CO 0.04 0.56 -0.35 0.45 -1.72 0.00 0.00 179.24 178.22 1ge8 h HIS 75 N 0.48 1.11 -0.29 4.55 3.86 -1.84 -3.13 115.15 119.89 1ge8 h HIS 75 Ca 0.13 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1ge8 h HIS 75 Cb 0.19 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1ge8 h HIS 75 CO -0.00 1.15 0.19 1.25 0.86 0.00 0.00 177.93 181.37 1ge8 h LEU 76 N 0.78 0.34 -1.06 2.43 6.46 -0.96 -3.06 115.31 120.24 1ge8 h LEU 76 Ca 0.07 -0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1ge8 h LEU 76 Cb 0.94 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.74 1ge8 h LEU 76 CO 0.09 0.27 0.60 0.07 -0.62 0.00 0.00 178.44 178.85 1ge8 h LYS 77 N 0.39 1.23 -0.34 1.25 2.10 -0.99 -1.66 116.57 118.54 1ge8 h LYS 77 Ca 0.11 -0.08 0.04 0.00 -2.00 0.00 0.00 60.65 58.71 1ge8 h LYS 77 Cb -0.02 -0.27 -0.04 0.00 -0.90 0.00 0.00 32.23 31.00 1ge8 h LYS 77 CO -0.02 0.83 0.10 0.87 -2.00 0.00 0.00 179.45 179.23 1ge8 h LYS 78 N 1.26 0.23 -0.15 0.07 6.56 -1.48 0.36 116.57 123.42 1ge8 h LYS 78 Ca 0.34 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.89 1ge8 h LYS 78 Cb -0.12 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.48 1ge8 h LYS 78 CO -0.07 0.15 -0.01 0.82 -2.06 0.00 0.00 179.45 178.29 1ge8 h ILE 79 N 0.24 1.26 -0.07 1.86 2.04 -1.44 -3.01 117.51 118.38 1ge8 h ILE 79 Ca 0.16 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1ge8 h ILE 79 Cb 0.14 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1ge8 h ILE 79 CO -0.17 0.25 -0.00 -0.07 0.00 0.00 0.00 178.15 178.16 1ge8 h LEU 80 N 0.01 0.09 0.00 1.44 4.07 -1.04 -0.82 115.31 119.06 1ge8 h LEU 80 Ca 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1ge8 h LEU 80 Cb 0.39 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1ge8 h LEU 80 CO 0.01 0.11 0.00 0.29 -1.08 0.00 0.00 178.44 177.77 1ge8 n LYS 81 N -4.47 0.26 0.06 1.13 5.02 0.09 -1.56 118.16 118.69 1ge8 n LYS 81 Ca -0.02 0.12 0.13 0.00 -2.02 0.00 0.00 58.31 56.52 1ge8 n LYS 81 Cb 0.13 -1.50 0.41 0.00 -0.02 0.00 0.00 35.03 34.04 1ge8 n LYS 81 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ge8 n ARG 82 N -1.24 0.17 -3.23 1.97 5.12 -0.31 -4.85 116.66 114.29 1ge8 n ARG 82 Ca 0.08 0.11 -0.33 0.00 -1.93 0.00 0.00 57.85 55.78 1ge8 n ARG 82 Cb 0.11 -1.67 -0.06 0.00 -1.16 0.00 0.00 32.46 29.68 1ge8 n ARG 82 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ge8 s GLY 83 N -3.38 2.38 0.57 -0.13 0.00 -0.60 -5.09 107.32 101.07 1ge8 s GLY 83 Ca 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 44.72 44.85 1ge8 s GLY 83 CO 0.61 0.18 0.79 0.54 0.00 0.00 0.00 173.10 175.22 1ge8 s LYS 84 N -2.67 2.29 0.36 2.90 1.02 -1.26 -4.17 119.74 118.20 1ge8 s LYS 84 Ca 0.49 -1.38 0.05 0.00 0.02 0.00 0.00 55.97 55.15 1ge8 s LYS 84 Cb -0.12 -2.59 0.68 0.00 -0.52 0.00 0.00 37.83 35.28 1ge8 s LYS 84 CO 0.19 -0.86 1.95 0.00 -0.92 0.00 0.00 175.35 175.71 1ge8 h ALA 85 N 0.10 1.49 -0.27 5.17 0.00 -1.95 -2.47 119.26 121.33 1ge8 h ALA 85 Ca -0.34 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ge8 h ALA 85 Cb 1.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ge8 h ALA 85 CO 0.42 0.39 0.00 1.63 0.00 0.00 0.00 179.25 181.69 1ge8 n LYS 86 N -4.36 2.20 -2.78 0.00 4.76 -1.26 -4.28 118.16 112.44 1ge8 n LYS 86 Ca 0.03 -1.80 -0.33 0.00 -2.87 0.00 0.00 58.31 53.33 1ge8 n LYS 86 Cb 0.16 -1.47 -0.07 0.00 -1.84 0.00 0.00 35.03 31.82 1ge8 n LYS 86 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ge8 s ASP 87 N -1.57 6.86 -0.13 4.39 1.01 -0.96 -4.76 116.67 121.50 1ge8 s ASP 87 Ca 0.35 1.72 -0.07 0.00 0.71 0.00 0.00 52.55 55.26 1ge8 s ASP 87 Cb 0.21 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 1ge8 s ASP 87 CO 0.30 -0.42 0.13 0.42 0.21 0.00 0.00 175.17 175.81 1ge8 s THR 88 N -2.15 5.44 -0.13 -1.27 -4.23 -0.51 -0.69 115.64 112.09 1ge8 s THR 88 Ca 0.63 0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 61.29 1ge8 s THR 88 Cb -0.10 -3.39 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 1ge8 s THR 88 CO 0.14 0.58 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.57 1ge8 s LEU 89 N -0.75 3.41 -0.13 4.79 2.96 0.70 -0.98 118.68 128.68 1ge8 s LEU 89 Ca 0.13 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1ge8 s LEU 89 Cb -0.12 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1ge8 s LEU 89 CO 0.03 0.24 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.47 1ge8 s ILE 90 N -0.05 1.85 -0.20 6.68 1.01 0.32 -0.74 121.20 130.07 1ge8 s ILE 90 Ca 0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1ge8 s ILE 90 Cb -0.13 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1ge8 s ILE 90 CO 0.02 0.51 -0.07 -0.76 0.00 0.00 0.00 174.94 174.65 1ge8 s LEU 91 N 0.90 2.84 0.01 2.97 1.43 0.48 -0.55 118.68 126.76 1ge8 s LEU 91 Ca -0.06 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1ge8 s LEU 91 Cb -0.15 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1ge8 s LEU 91 CO -0.02 0.02 -0.09 -0.54 0.23 0.00 0.00 176.35 175.95 1ge8 s LYS 92 N 1.22 0.71 -0.02 1.70 1.02 -0.06 -0.36 119.74 123.96 1ge8 s LYS 92 Ca 0.02 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1ge8 s LYS 92 Cb -0.14 -0.67 0.03 0.00 -0.52 0.00 0.00 37.83 36.52 1ge8 s LYS 92 CO -0.02 0.18 0.02 0.21 -0.92 0.00 0.00 175.35 174.82 1ge8 s LYS 93 N -0.51 -0.02 0.00 1.68 2.47 -0.80 -0.61 119.74 121.95 1ge8 s LYS 93 Ca 0.02 0.16 0.00 0.00 -1.56 0.00 0.00 55.97 54.58 1ge8 s LYS 93 Cb -0.05 -0.23 0.00 0.00 -1.46 0.00 0.00 37.83 36.10 1ge8 s LYS 93 CO 0.00 -0.14 0.00 0.41 0.16 0.00 0.00 175.35 175.78 1ge8 n GLY 94 N 4.03 1.30 0.09 5.54 0.00 -1.26 -1.87 105.19 113.02 1ge8 n GLY 94 Ca -0.26 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 1ge8 n GLY 94 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ge8 h GLU 95 N 0.00 0.00 -6.88 1.61 4.57 -2.00 -3.39 114.58 108.48 1ge8 h GLU 95 Ca 0.00 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.69 1ge8 h GLU 95 Cb 0.00 0.00 0.22 0.00 -0.16 0.00 0.00 28.75 28.81 1ge8 h GLU 95 CO 0.00 0.71 -0.52 0.39 -1.18 0.00 0.00 179.01 178.40 1ge8 n GLU 96 N -4.50 -1.17 -0.96 1.92 4.71 -1.26 -4.84 120.64 114.54 1ge8 n GLU 96 Ca -0.24 -0.31 -0.13 0.00 -0.01 0.00 0.00 57.16 56.48 1ge8 n GLU 96 Cb 0.55 -1.94 -0.07 0.00 -1.01 0.00 0.00 31.44 28.96 1ge8 n GLU 96 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ge8 n ASN 97 N -2.56 5.71 -4.24 1.62 4.13 -1.26 -4.86 115.26 113.80 1ge8 n ASN 97 Ca 0.05 -2.70 -0.22 0.00 1.68 0.00 0.00 54.58 53.38 1ge8 n ASN 97 Cb 0.56 -1.25 -0.13 0.00 -1.54 0.00 0.00 39.78 37.42 1ge8 n ASN 97 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1ge8 s PHE 98 N -0.23 1.59 -0.16 3.10 0.40 -1.26 0.22 117.98 121.64 1ge8 s PHE 98 Ca 0.43 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 56.31 1ge8 s PHE 98 Cb 0.24 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.85 1ge8 s PHE 98 CO -0.05 0.13 -0.03 -1.17 0.70 0.00 0.00 175.22 174.80 1ge8 s LEU 99 N -1.67 3.26 -0.28 -0.37 2.96 0.60 -4.48 118.68 118.71 1ge8 s LEU 99 Ca 0.04 -0.13 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 1ge8 s LEU 99 Cb -0.10 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1ge8 s LEU 99 CO 0.03 0.17 0.17 -0.70 -1.32 0.00 0.00 176.35 174.69 1ge8 s GLU 100 N 0.38 3.82 -0.25 1.98 2.12 0.22 -1.37 118.70 125.60 1ge8 s GLU 100 Ca -0.04 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 54.89 1ge8 s GLU 100 Cb -0.14 -3.60 0.03 0.00 0.26 0.00 0.00 34.13 30.68 1ge8 s GLU 100 CO 0.03 -0.21 -0.07 0.42 -0.54 0.00 0.00 175.26 174.88 1ge8 s ILE 101 N 1.72 2.73 -0.18 -3.70 1.01 0.17 -0.88 121.20 122.06 1ge8 s ILE 101 Ca 0.07 -1.16 -0.02 0.00 0.00 0.00 0.00 60.65 59.53 1ge8 s ILE 101 Cb -0.16 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 1ge8 s ILE 101 CO 0.09 0.14 -0.08 -0.89 0.00 0.00 0.00 174.94 174.20 1ge8 s THR 102 N 1.28 3.22 -0.29 2.92 2.01 0.29 0.55 115.64 125.62 1ge8 s THR 102 Ca -0.02 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 1ge8 s THR 102 Cb -0.17 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1ge8 s THR 102 CO -0.05 0.47 0.18 -0.63 -0.69 0.00 0.00 174.62 173.91 1ge8 s ILE 103 N 0.97 5.13 -0.22 1.82 1.01 0.24 -0.52 121.20 129.63 1ge8 s ILE 103 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 1ge8 s ILE 103 Cb -0.15 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.85 1ge8 s ILE 103 CO -0.00 0.21 -0.08 -1.58 0.00 0.00 0.00 174.94 173.48 1ge8 s GLN 104 N 1.73 3.08 0.00 2.79 0.74 -0.15 -1.46 119.66 126.38 1ge8 s GLN 104 Ca 0.07 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.66 1ge8 s GLN 104 Cb -0.16 -2.91 0.00 0.00 1.10 0.00 0.00 33.01 31.03 1ge8 s GLN 104 CO 0.10 -0.28 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 1ge8 n GLY 105 N 4.71 2.78 0.24 2.59 0.00 -1.26 -1.42 105.19 112.83 1ge8 n GLY 105 Ca -0.18 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.68 1ge8 n GLY 105 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ge8 h THR 106 N 0.00 0.15 -3.97 2.61 2.02 -1.98 -3.45 112.91 108.28 1ge8 h THR 106 Ca 0.00 -0.94 -0.12 0.00 0.77 0.00 0.00 66.41 66.12 1ge8 h THR 106 Cb 0.00 1.82 -0.11 0.00 -1.74 0.00 0.00 68.15 68.12 1ge8 h THR 106 CO 0.00 0.07 -0.30 0.00 0.37 0.00 0.00 175.52 175.66 1ge8 s ALA 107 N -3.42 0.23 -0.30 6.16 0.00 -1.26 -5.15 121.76 118.02 1ge8 s ALA 107 Ca 0.04 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.78 1ge8 s ALA 107 Cb 0.07 1.13 -0.00 0.00 0.00 0.00 0.00 23.12 24.32 1ge8 s ALA 107 CO 0.62 -0.74 0.12 0.99 0.00 0.00 0.00 175.76 176.76 1ge8 s THR 108 N -4.05 4.37 -0.22 0.00 2.01 -1.26 -4.33 115.64 112.15 1ge8 s THR 108 Ca 0.27 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.76 1ge8 s THR 108 Cb 0.02 -3.23 0.03 0.00 0.01 0.00 0.00 72.50 69.33 1ge8 s THR 108 CO 0.08 0.09 -0.11 -0.13 -0.69 0.00 0.00 174.62 173.86 1ge8 s ARG 109 N 1.58 2.86 -0.21 4.92 0.52 -0.53 -4.99 118.95 123.08 1ge8 s ARG 109 Ca 0.04 -0.95 -0.05 0.00 -0.52 0.00 0.00 55.73 54.26 1ge8 s ARG 109 Cb -0.17 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.45 1ge8 s ARG 109 CO 0.05 -0.34 -0.01 0.99 0.02 0.00 0.00 175.30 176.01 1ge8 s THR 110 N 1.30 3.78 0.06 0.02 2.01 -1.26 -0.59 115.64 120.96 1ge8 s THR 110 Ca 0.01 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.66 1ge8 s THR 110 Cb -0.16 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1ge8 s THR 110 CO -0.07 0.41 0.12 -0.36 -0.69 0.00 0.00 174.62 174.03 1ge8 s PHE 111 N 1.27 3.31 -0.18 4.92 0.40 0.19 -4.94 117.98 122.95 1ge8 s PHE 111 Ca 0.04 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 1ge8 s PHE 111 Cb -0.15 -1.68 0.04 0.00 0.51 0.00 0.00 43.02 41.74 1ge8 s PHE 111 CO 0.00 0.55 -0.09 0.50 0.70 0.00 0.00 175.22 176.88 1ge8 s ARG 112 N -2.35 1.87 -0.06 0.44 3.52 -1.26 -0.66 118.95 120.44 1ge8 s ARG 112 Ca 0.30 -0.68 0.06 0.00 -0.13 0.00 0.00 55.73 55.28 1ge8 s ARG 112 Cb -0.12 -2.21 -0.01 0.00 -1.56 0.00 0.00 34.95 31.04 1ge8 s ARG 112 CO 0.23 -0.40 -0.24 0.08 -0.81 0.00 0.00 175.30 174.16 1ge8 s VAL 113 N 1.49 2.00 0.37 7.11 1.01 -0.47 -4.97 120.40 126.95 1ge8 s VAL 113 Ca 0.00 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.70 1ge8 s VAL 113 Cb -0.15 -1.70 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 1ge8 s VAL 113 CO -0.08 0.55 1.14 -2.16 0.00 0.00 0.00 175.10 174.55 1ge8 s PRO 114 N -0.07 4.21 0.04 2.72 0.04 -1.26 -0.29 135.00 140.39 1ge8 s PRO 114 Ca -0.06 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 1ge8 s PRO 114 Cb -0.14 -2.77 -0.06 0.00 0.04 0.00 0.00 34.50 31.57 1ge8 s PRO 114 CO 0.04 -0.16 0.39 -0.51 0.04 0.00 0.00 177.00 176.79 1ge8 s LEU 115 N -2.27 4.39 0.29 -3.56 1.43 0.13 -4.84 118.68 114.25 1ge8 s LEU 115 Ca 0.54 0.82 0.10 0.00 -1.03 0.00 0.00 54.13 54.56 1ge8 s LEU 115 Cb -0.30 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 1ge8 s LEU 115 CO 0.37 0.24 -0.01 0.27 0.23 0.00 0.00 176.35 177.45 1ge8 s ILE 116 N -1.27 3.16 -0.13 -0.59 -4.36 -0.52 -4.92 121.20 112.56 1ge8 s ILE 116 Ca 0.29 -1.96 -0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1ge8 s ILE 116 Cb -0.15 -2.79 -0.02 0.00 1.25 0.00 0.00 42.46 40.75 1ge8 s ILE 116 CO 0.16 -0.33 -0.09 1.51 0.24 0.00 0.00 174.94 176.43 1ge8 s ASP 117 N -3.68 4.36 0.00 4.36 -4.77 -1.26 -2.91 116.67 112.77 1ge8 s ASP 117 Ca 0.32 -0.23 0.00 0.00 -3.30 0.00 0.00 52.55 49.35 1ge8 s ASP 117 Cb -0.05 -1.63 0.00 0.00 -1.09 0.00 0.00 42.92 40.15 1ge8 s ASP 117 CO 0.20 0.19 0.00 -0.81 0.70 0.00 0.00 175.17 175.44 1ge8 n PRO 126 N 3.41 0.00 -3.24 2.11 -0.04 -1.26 -4.89 135.00 131.08 1ge8 n PRO 126 Ca -0.18 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.83 1ge8 n PRO 126 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1ge8 n PRO 126 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ge8 n GLU 127 N 0.00 3.52 -4.24 0.54 4.07 -1.26 -5.02 120.64 118.25 1ge8 n GLU 127 Ca 0.00 -4.32 -0.35 0.00 -0.06 0.00 0.00 57.16 52.43 1ge8 n GLU 127 Cb 0.00 -2.66 -0.09 0.00 -0.06 0.00 0.00 31.44 28.63 1ge8 n GLU 127 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1ge8 s LEU 128 N -0.66 3.76 -1.47 4.31 1.43 -1.26 -5.03 118.68 119.75 1ge8 s LEU 128 Ca 0.34 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.51 1ge8 s LEU 128 Cb -0.08 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.28 1ge8 s LEU 128 CO -0.06 0.36 2.37 -0.81 0.23 0.00 0.00 176.35 178.44 1ge8 n PRO 129 N 2.27 3.19 -1.87 1.29 -0.04 -1.26 -4.98 135.00 133.60 1ge8 n PRO 129 Ca -0.19 -2.64 -0.39 0.00 -0.04 0.00 0.00 63.50 60.25 1ge8 n PRO 129 Cb 0.54 -3.12 0.03 0.00 -0.04 0.00 0.00 33.50 30.91 1ge8 n PRO 129 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ge8 s PHE 130 N 2.50 2.44 0.00 0.54 2.99 -1.26 -4.87 117.98 120.32 1ge8 s PHE 130 Ca 0.52 1.37 0.00 0.00 0.00 0.00 0.00 56.93 58.82 1ge8 s PHE 130 Cb 0.15 -3.76 0.00 0.00 0.00 0.00 0.00 43.02 39.40 1ge8 s PHE 130 CO -0.07 -2.66 0.90 0.25 -0.00 0.00 0.00 175.22 173.64 1ge8 n THR 131 N -0.67 0.81 -3.71 0.64 -2.24 -0.80 -4.99 114.28 103.32 1ge8 n THR 131 Ca 0.08 -0.89 -0.12 0.00 -2.27 0.00 0.00 64.05 60.85 1ge8 n THR 131 Cb 0.45 0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 69.17 1ge8 n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ge8 s ALA 132 N -0.81 -1.13 -0.05 6.98 0.00 -1.07 -1.15 121.76 124.53 1ge8 s ALA 132 Ca 0.00 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1ge8 s ALA 132 Cb 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.30 1ge8 s ALA 132 CO 0.00 -0.24 -0.04 0.21 0.00 0.00 0.00 175.76 175.69 1ge8 s LYS 133 N 0.74 0.75 0.00 0.00 2.20 0.02 -2.02 119.74 121.44 1ge8 s LYS 133 Ca -0.04 -0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 1ge8 s LYS 133 Cb -0.05 -0.82 -0.01 0.00 -1.51 0.00 0.00 37.83 35.44 1ge8 s LYS 133 CO -0.05 -0.11 -0.08 0.08 -0.36 0.00 0.00 175.35 174.83 1ge8 s VAL 134 N 1.04 0.60 -0.23 4.02 1.01 0.68 -0.47 120.40 127.04 1ge8 s VAL 134 Ca -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1ge8 s VAL 134 Cb -0.14 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.76 1ge8 s VAL 134 CO -0.01 0.07 -0.10 -0.69 0.00 0.00 0.00 175.10 174.37 1ge8 s VAL 135 N -0.39 1.84 0.27 2.92 1.01 -0.11 0.08 120.40 126.02 1ge8 s VAL 135 Ca 0.01 -1.28 0.08 0.00 0.00 0.00 0.00 61.98 60.78 1ge8 s VAL 135 Cb -0.04 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1ge8 s VAL 135 CO -0.00 0.06 -0.10 0.68 0.00 0.00 0.00 175.10 175.74 1ge8 s VAL 136 N 1.28 1.83 0.34 2.92 -7.23 -0.47 -0.31 120.40 118.75 1ge8 s VAL 136 Ca -0.05 -2.19 -0.27 0.00 -1.81 0.00 0.00 61.98 57.67 1ge8 s VAL 136 Cb -0.18 -2.35 -0.09 0.00 0.56 0.00 0.00 36.38 34.32 1ge8 s VAL 136 CO -0.07 -0.38 1.06 -0.76 -0.31 0.00 0.00 175.10 174.65 1ge8 s LEU 137 N -3.44 4.35 0.30 1.32 1.43 -0.60 -0.96 118.68 121.07 1ge8 s LEU 137 Ca 0.28 2.13 0.02 0.00 -1.03 0.00 0.00 54.13 55.53 1ge8 s LEU 137 Cb 0.01 -3.91 0.57 0.00 0.03 0.00 0.00 46.19 42.89 1ge8 s LEU 137 CO 0.11 -0.30 1.86 1.23 0.23 0.00 0.00 176.35 179.49 1ge8 h GLY 138 N 3.17 1.49 0.76 -3.19 0.00 -1.14 -2.14 103.07 102.01 1ge8 h GLY 138 Ca -0.47 -0.41 0.04 0.00 0.00 0.00 0.00 47.33 46.49 1ge8 h GLY 138 CO 0.65 0.21 0.32 -2.09 0.00 0.00 0.00 176.54 175.62 1ge8 h GLU 139 N 0.98 0.59 -0.10 4.80 4.81 -1.45 -1.21 114.58 123.01 1ge8 h GLU 139 Ca 0.46 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1ge8 h GLU 139 Cb 0.41 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1ge8 h GLU 139 CO -0.22 0.39 0.06 0.28 -0.73 0.00 0.00 179.01 178.79 1ge8 h VAL 140 N 0.61 1.06 -0.40 0.32 2.07 -1.69 -1.25 116.25 116.98 1ge8 h VAL 140 Ca 0.25 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1ge8 h VAL 140 Cb 0.11 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1ge8 h VAL 140 CO -0.15 0.06 0.20 0.25 0.02 0.00 0.00 177.57 177.95 1ge8 h LEU 141 N 0.09 0.30 -0.39 2.57 6.46 -1.24 -0.94 115.31 122.16 1ge8 h LEU 141 Ca 0.03 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1ge8 h LEU 141 Cb 0.04 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1ge8 h LEU 141 CO -0.01 0.22 0.17 0.11 -0.62 0.00 0.00 178.44 178.31 1ge8 h LYS 142 N 0.42 0.57 -0.33 1.25 1.57 -1.04 -2.02 116.57 116.98 1ge8 h LYS 142 Ca 0.17 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1ge8 h LYS 142 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1ge8 h LYS 142 CO -0.11 0.53 0.17 -0.44 -0.57 0.00 0.00 179.45 179.03 1ge8 h ASP 143 N 0.49 0.43 -0.63 0.86 3.32 -1.00 -2.23 116.42 117.65 1ge8 h ASP 143 Ca 0.13 -0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.16 1ge8 h ASP 143 Cb 0.16 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 1ge8 h ASP 143 CO -0.01 0.41 0.29 0.00 -1.72 0.00 0.00 179.24 178.20 1ge8 h ALA 144 N 1.03 0.83 -0.58 3.45 0.00 -1.02 0.62 119.26 123.58 1ge8 h ALA 144 Ca 0.12 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1ge8 h ALA 144 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ge8 h ALA 144 CO -0.02 -0.10 0.14 0.28 0.00 0.00 0.00 179.25 179.55 1ge8 h VAL 145 N 0.51 1.25 -0.53 0.00 2.07 -1.17 -2.07 116.25 116.31 1ge8 h VAL 145 Ca 0.30 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 1ge8 h VAL 145 Cb 0.31 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1ge8 h VAL 145 CO -0.25 0.33 -0.08 0.11 0.02 0.00 0.00 177.57 177.70 1ge8 h LYS 146 N 0.84 1.00 0.08 1.57 1.57 -0.78 -2.03 116.57 118.81 1ge8 h LYS 146 Ca 0.18 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1ge8 h LYS 146 Cb 0.35 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1ge8 h LYS 146 CO 0.00 1.04 -0.12 -0.44 -0.57 0.00 0.00 179.45 179.36 1ge8 h ASP 147 N 0.87 -0.32 -0.95 0.86 3.32 -0.73 -2.88 116.42 116.58 1ge8 h ASP 147 Ca 0.14 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.29 1ge8 h ASP 147 Cb 0.64 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.25 1ge8 h ASP 147 CO 0.04 -0.17 0.62 0.00 -1.72 0.00 0.00 179.24 178.01 1ge8 h ALA 148 N 0.66 1.46 0.00 3.45 0.00 -1.31 -1.92 119.26 121.60 1ge8 h ALA 148 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ge8 h ALA 148 Cb 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ge8 h ALA 148 CO -0.06 0.40 -0.01 0.66 0.00 0.00 0.00 179.25 180.24 1ge8 h SER 149 N 1.10 0.00 1.63 0.00 4.64 -1.14 0.95 113.55 120.73 1ge8 h SER 149 Ca 0.41 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.70 1ge8 h SER 149 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1ge8 h SER 149 CO -0.16 0.01 -0.13 -0.07 -0.87 0.00 0.00 176.83 175.62 1ge8 h LEU 150 N 0.00 0.00 0.00 5.97 4.07 -1.32 -3.37 115.31 120.65 1ge8 h LEU 150 Ca -0.00 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.85 1ge8 h LEU 150 Cb 0.09 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1ge8 h LEU 150 CO 0.00 0.13 -1.41 0.52 -1.08 0.00 0.00 178.44 176.59 1ge8 n VAL 151 N -3.15 0.41 -4.03 1.22 0.31 -0.25 -5.10 118.33 107.73 1ge8 n VAL 151 Ca 0.03 -0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 64.00 1ge8 n VAL 151 Cb 0.53 -0.84 -0.05 0.00 -0.91 0.00 0.00 33.84 32.57 1ge8 n VAL 151 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ge8 s SER 152 N -3.79 0.21 0.00 4.52 0.15 0.17 -3.81 113.70 111.14 1ge8 s SER 152 Ca -0.03 -1.13 0.23 0.00 0.70 0.00 0.00 55.95 55.72 1ge8 s SER 152 Cb 0.02 0.60 0.16 0.00 -1.71 0.00 0.00 66.02 65.09 1ge8 s SER 152 CO 0.24 -1.18 1.20 0.47 1.20 0.00 0.00 173.24 175.17 1ge8 n ASP 153 N -0.70 1.97 -4.05 5.45 10.43 -1.26 -4.21 116.55 124.18 1ge8 n ASP 153 Ca -0.01 -1.48 -0.14 0.00 2.57 0.00 0.00 54.79 55.73 1ge8 n ASP 153 Cb 0.62 0.36 -0.12 0.00 1.84 0.00 0.00 41.12 43.82 1ge8 n ASP 153 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1ge8 s SER 154 N -2.42 0.88 -0.05 -2.24 1.04 -1.26 -1.05 113.70 108.61 1ge8 s SER 154 Ca 0.21 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.22 1ge8 s SER 154 Cb 0.19 0.00 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 1ge8 s SER 154 CO 0.53 -0.13 -0.17 -0.51 0.98 0.00 0.00 173.24 173.93 1ge8 s ILE 155 N -1.09 1.47 -0.14 -1.02 2.07 -0.47 -4.52 121.20 117.51 1ge8 s ILE 155 Ca -0.07 -0.73 -0.13 0.00 -1.41 0.00 0.00 60.65 58.31 1ge8 s ILE 155 Cb -0.08 -1.27 -0.05 0.00 0.13 0.00 0.00 42.46 41.19 1ge8 s ILE 155 CO 0.00 0.42 0.30 -0.54 -1.91 0.00 0.00 174.94 173.21 1ge8 s LYS 156 N 0.12 4.14 -0.20 3.50 1.02 0.19 -1.50 119.74 127.01 1ge8 s LYS 156 Ca -0.06 0.12 -0.07 0.00 0.02 0.00 0.00 55.97 55.98 1ge8 s LYS 156 Cb -0.13 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1ge8 s LYS 156 CO 0.03 0.34 0.05 -0.06 -0.92 0.00 0.00 175.35 174.80 1ge8 s PHE 157 N 0.14 3.18 -0.10 3.18 0.40 0.71 -0.87 117.98 124.61 1ge8 s PHE 157 Ca 0.17 -0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 1ge8 s PHE 157 Cb -0.13 -2.11 0.02 0.00 0.51 0.00 0.00 43.02 41.31 1ge8 s PHE 157 CO 0.05 -0.00 -0.12 0.42 0.70 0.00 0.00 175.22 176.27 1ge8 s ILE 158 N 0.70 1.27 -0.11 0.64 1.09 0.12 -2.15 121.20 122.77 1ge8 s ILE 158 Ca 0.03 -0.50 0.01 0.00 -1.10 0.00 0.00 60.65 59.09 1ge8 s ILE 158 Cb -0.13 -1.19 0.02 0.00 -1.06 0.00 0.00 42.46 40.09 1ge8 s ILE 158 CO 0.02 0.40 -0.13 0.00 -0.10 0.00 0.00 174.94 175.12 1ge8 s ALA 159 N 1.08 1.57 0.43 9.38 0.00 0.73 0.13 121.76 135.07 1ge8 s ALA 159 Ca -0.06 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1ge8 s ALA 159 Cb -0.15 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1ge8 s ALA 159 CO -0.02 -0.13 0.13 0.54 0.00 0.00 0.00 175.76 176.28 1ge8 n ARG 160 N 4.32 0.60 -1.68 0.00 1.74 0.55 -0.69 116.66 121.51 1ge8 n ARG 160 Ca -0.18 -3.55 -0.47 0.00 -0.77 0.00 0.00 57.85 52.87 1ge8 n ARG 160 Cb 0.51 1.79 -0.04 0.00 -1.02 0.00 0.00 32.46 33.69 1ge8 n ARG 160 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1ge8 n GLU 161 N -0.99 2.20 -4.39 5.56 2.13 -1.26 -1.93 120.64 121.96 1ge8 n GLU 161 Ca -0.08 0.80 -0.40 0.00 0.66 0.00 0.00 57.16 58.14 1ge8 n GLU 161 Cb 0.63 -2.63 -0.06 0.00 0.27 0.00 0.00 31.44 29.64 1ge8 n GLU 161 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ge8 n ASN 162 N 5.82 -2.25 -3.67 4.31 0.23 -1.26 -4.92 115.26 113.52 1ge8 n ASN 162 Ca 0.21 -1.13 -0.08 0.00 -0.53 0.00 0.00 54.58 53.05 1ge8 n ASN 162 Cb 0.30 -1.91 -0.09 0.00 -2.08 0.00 0.00 39.78 35.99 1ge8 n ASN 162 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1ge8 s GLU 163 N -7.09 0.45 -0.10 -3.83 2.12 -0.81 -4.21 118.70 105.22 1ge8 s GLU 163 Ca 0.79 1.02 0.02 0.00 0.36 0.00 0.00 54.97 57.16 1ge8 s GLU 163 Cb -0.45 0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.17 1ge8 s GLU 163 CO 0.97 -0.19 -0.17 0.12 -0.54 0.00 0.00 175.26 175.45 1ge8 s PHE 164 N 2.00 2.03 -0.00 5.30 5.36 -0.03 -0.33 117.98 132.30 1ge8 s PHE 164 Ca -0.07 -0.90 0.04 0.00 -0.96 0.00 0.00 56.93 55.04 1ge8 s PHE 164 Cb -0.09 -1.43 -0.01 0.00 -0.34 0.00 0.00 43.02 41.14 1ge8 s PHE 164 CO -0.15 -0.43 -0.12 0.42 -1.46 0.00 0.00 175.22 173.48 1ge8 s ILE 165 N 0.78 0.94 -0.13 3.12 1.01 0.12 -0.20 121.20 126.84 1ge8 s ILE 165 Ca -0.11 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1ge8 s ILE 165 Cb -0.16 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.53 1ge8 s ILE 165 CO 0.02 0.24 -0.16 -0.04 0.00 0.00 0.00 174.94 174.99 1ge8 s MET 166 N -0.36 2.40 0.11 2.79 -1.94 -0.62 0.15 119.30 121.82 1ge8 s MET 166 Ca 0.04 -0.61 0.07 0.00 -1.71 0.00 0.00 55.69 53.48 1ge8 s MET 166 Cb -0.05 -2.10 -0.03 0.00 2.01 0.00 0.00 34.83 34.66 1ge8 s MET 166 CO -0.00 -0.14 -0.19 0.15 -0.01 0.00 0.00 175.02 174.83 1ge8 s LYS 167 N 1.21 1.07 -0.04 2.03 1.02 -0.05 -1.31 119.74 123.68 1ge8 s LYS 167 Ca -0.01 -1.16 -0.01 0.00 0.02 0.00 0.00 55.97 54.81 1ge8 s LYS 167 Cb -0.14 -1.23 0.03 0.00 -0.52 0.00 0.00 37.83 35.97 1ge8 s LYS 167 CO -0.06 0.28 0.06 0.00 -0.92 0.00 0.00 175.35 174.71 1ge8 s ALA 168 N -1.37 0.02 -0.10 5.17 0.00 -0.68 0.56 121.76 125.36 1ge8 s ALA 168 Ca 0.06 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1ge8 s ALA 168 Cb -0.09 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 1ge8 s ALA 168 CO 0.04 -0.20 -0.22 -1.21 0.00 0.00 0.00 175.76 174.17 1ge8 s GLU 169 N 1.32 3.07 0.00 0.00 0.41 -1.26 -1.41 118.70 120.83 1ge8 s GLU 169 Ca -0.06 -0.84 0.00 0.00 -0.41 0.00 0.00 54.97 53.65 1ge8 s GLU 169 Cb -0.13 -2.35 0.00 0.00 -1.78 0.00 0.00 34.13 29.87 1ge8 s GLU 169 CO -0.04 0.20 0.00 0.41 -0.49 0.00 0.00 175.26 175.35 1ge8 n GLY 170 N 3.47 6.76 0.41 -1.39 0.00 -0.34 -4.63 105.19 109.46 1ge8 n GLY 170 Ca -0.19 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 1ge8 n GLY 170 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ge8 h GLU 171 N 0.00 -0.41 0.00 1.61 -0.00 -2.01 -3.37 114.58 110.40 1ge8 h GLU 171 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.39 1ge8 h GLU 171 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 28.75 28.84 1ge8 h GLU 171 CO 0.00 -0.27 0.00 0.25 -0.00 0.00 0.00 179.01 178.99 1ge8 n THR 172 N -5.42 0.00 -3.46 -1.06 -2.24 -1.26 -5.10 114.28 95.74 1ge8 n THR 172 Ca -0.03 -0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.48 1ge8 n THR 172 Cb 0.36 1.33 -0.02 0.00 -2.10 0.00 0.00 70.33 69.90 1ge8 n THR 172 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ge8 s GLN 173 N -0.09 2.69 -0.07 -0.78 -0.21 -1.26 -5.14 119.66 114.80 1ge8 s GLN 173 Ca 0.00 -1.38 -0.30 0.00 0.02 0.00 0.00 55.36 53.71 1ge8 s GLN 173 Cb 0.00 -2.53 0.07 0.00 1.00 0.00 0.00 33.01 31.55 1ge8 s GLN 173 CO 0.00 -0.14 0.67 -2.00 -2.12 0.00 0.00 175.29 171.69 1ge8 s GLU 174 N -4.17 1.02 0.01 2.91 2.12 -1.26 -1.20 118.70 118.13 1ge8 s GLU 174 Ca 0.48 0.32 0.02 0.00 0.36 0.00 0.00 54.97 56.15 1ge8 s GLU 174 Cb -0.06 0.48 -0.01 0.00 0.26 0.00 0.00 34.13 34.80 1ge8 s GLU 174 CO 0.29 -0.30 -0.06 0.08 -0.54 0.00 0.00 175.26 174.74 1ge8 s VAL 175 N -1.02 0.43 -0.05 3.70 1.01 -0.50 -5.01 120.40 118.95 1ge8 s VAL 175 Ca -0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1ge8 s VAL 175 Cb -0.01 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.00 1ge8 s VAL 175 CO 0.09 -0.00 0.13 -0.70 0.00 0.00 0.00 175.10 174.61 1ge8 s GLU 176 N -0.45 0.11 -0.24 2.72 2.12 -1.26 -1.69 118.70 120.02 1ge8 s GLU 176 Ca -0.01 0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.59 1ge8 s GLU 176 Cb -0.04 -0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.35 1ge8 s GLU 176 CO -0.00 -0.09 -0.03 0.42 -0.54 0.00 0.00 175.26 175.02 1ge8 s ILE 177 N 0.63 1.37 0.08 -3.70 1.09 -0.43 -5.01 121.20 115.23 1ge8 s ILE 177 Ca -0.05 -1.18 -0.01 0.00 -1.10 0.00 0.00 60.65 58.31 1ge8 s ILE 177 Cb -0.06 -1.71 -0.04 0.00 -1.06 0.00 0.00 42.46 39.59 1ge8 s ILE 177 CO -0.03 -0.17 0.25 -0.75 -0.10 0.00 0.00 174.94 174.14 1ge8 s LYS 178 N 1.46 3.49 -0.08 2.79 2.20 -1.26 -1.59 119.74 126.74 1ge8 s LYS 178 Ca -0.03 -0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.18 1ge8 s LYS 178 Cb -0.18 -2.99 0.03 0.00 -1.51 0.00 0.00 37.83 33.18 1ge8 s LYS 178 CO -0.08 0.57 0.21 -0.51 -0.36 0.00 0.00 175.35 175.18 1ge8 s LEU 179 N -2.53 0.84 0.29 5.43 1.43 0.72 -4.99 118.68 119.87 1ge8 s LEU 179 Ca 0.36 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 1ge8 s LEU 179 Cb -0.13 0.64 -0.06 0.00 0.03 0.00 0.00 46.19 46.67 1ge8 s LEU 179 CO 0.27 -0.12 0.00 0.42 0.23 0.00 0.00 176.35 177.15 1ge8 s THR 180 N 0.73 1.32 0.54 5.49 -4.23 -1.26 -0.85 115.64 117.38 1ge8 s THR 180 Ca -0.05 -2.05 0.24 0.00 -1.18 0.00 0.00 61.69 58.65 1ge8 s THR 180 Cb -0.07 -2.57 0.36 0.00 1.34 0.00 0.00 72.50 71.56 1ge8 s THR 180 CO -0.04 -0.18 2.04 -0.07 -0.54 0.00 0.00 174.62 175.83 1ge8 h LEU 181 N 2.25 0.00 -1.45 4.79 3.38 -1.86 0.20 115.31 122.63 1ge8 h LEU 181 Ca -0.40 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1ge8 h LEU 181 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1ge8 h LEU 181 CO 0.68 0.00 -0.09 -0.08 0.09 0.00 0.00 178.44 179.04 1ge8 h GLU 182 N 0.00 0.00 -6.97 1.13 4.81 -1.94 -3.44 114.58 108.17 1ge8 h GLU 182 Ca 0.17 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.91 1ge8 h GLU 182 Cb 0.71 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.11 1ge8 h GLU 182 CO -0.00 0.09 0.42 -0.51 -0.73 0.00 0.00 179.01 178.28 1ge8 s ASP 183 N -5.89 6.68 0.41 1.04 1.01 0.71 -4.95 116.67 115.68 1ge8 s ASP 183 Ca 0.00 2.07 0.22 0.00 0.71 0.00 0.00 52.55 55.55 1ge8 s ASP 183 Cb 0.10 -2.59 0.71 0.00 1.01 0.00 0.00 42.92 42.16 1ge8 s ASP 183 CO 0.57 -0.54 1.74 1.05 0.21 0.00 0.00 175.17 178.20 1ge8 h GLU 184 N 2.44 0.00 0.00 8.23 4.11 -1.85 -3.13 114.58 124.39 1ge8 h GLU 184 Ca -0.48 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.89 1ge8 h GLU 184 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1ge8 h GLU 184 CO 0.62 0.28 -0.25 0.78 0.07 0.00 0.00 179.01 180.51 1ge8 h GLY 185 N 2.43 0.00 -7.58 1.06 0.00 -1.92 -3.42 103.07 93.64 1ge8 h GLY 185 Ca -0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 1ge8 h GLY 185 CO 0.04 0.00 -0.48 -2.27 0.00 0.00 0.00 176.54 173.82 1ge8 s LEU 186 N -6.60 4.71 -0.08 3.11 2.96 -1.18 -1.56 118.68 120.03 1ge8 s LEU 186 Ca 0.02 -0.73 0.05 0.00 -0.22 0.00 0.00 54.13 53.25 1ge8 s LEU 186 Cb 0.09 -2.10 -0.24 0.00 0.50 0.00 0.00 46.19 44.44 1ge8 s LEU 186 CO 0.66 -0.34 0.51 0.18 -1.32 0.00 0.00 176.35 176.05 1ge8 n LEU 187 N 5.08 1.60 -3.49 -0.68 4.77 0.57 -4.76 117.00 120.09 1ge8 n LEU 187 Ca -0.12 0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 1ge8 n LEU 187 Cb 0.48 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1ge8 n LEU 187 CO 0.38 0.59 0.48 -0.62 -1.33 0.00 0.00 177.39 176.89 1ge8 s ASP 188 N -6.47 -0.58 -0.21 -1.43 3.68 -1.08 -4.98 116.67 105.61 1ge8 s ASP 188 Ca -0.12 0.42 -0.10 0.00 2.13 0.00 0.00 52.55 54.88 1ge8 s ASP 188 Cb 0.07 0.52 0.08 0.00 -1.45 0.00 0.00 42.92 42.15 1ge8 s ASP 188 CO 0.80 -0.69 0.49 -0.51 0.13 0.00 0.00 175.17 175.39 1ge8 s ILE 189 N -2.09 -0.28 -0.26 4.11 2.07 -1.26 -0.93 121.20 122.56 1ge8 s ILE 189 Ca -0.05 0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.26 1ge8 s ILE 189 Cb -0.00 -0.74 0.08 0.00 0.13 0.00 0.00 42.46 41.93 1ge8 s ILE 189 CO 0.01 0.04 0.06 -1.61 -1.91 0.00 0.00 174.94 171.52 1ge8 s GLU 190 N 1.92 0.80 -0.09 3.50 2.02 0.37 -4.79 118.70 122.43 1ge8 s GLU 190 Ca -0.07 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.11 1ge8 s GLU 190 Cb -0.09 -2.10 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 1ge8 s GLU 190 CO -0.15 -0.82 -0.21 0.08 0.02 0.00 0.00 175.26 174.17 1ge8 s VAL 191 N 1.67 2.32 -0.02 2.63 1.01 -1.26 -0.80 120.40 125.95 1ge8 s VAL 191 Ca 0.04 -0.94 0.12 0.00 0.00 0.00 0.00 61.98 61.20 1ge8 s VAL 191 Cb -0.17 -1.90 -0.19 0.00 0.00 0.00 0.00 36.38 34.12 1ge8 s VAL 191 CO -0.17 0.56 0.91 1.56 0.00 0.00 0.00 175.10 177.95 1ge8 h GLN 192 N 6.49 0.00 -2.06 2.72 1.08 -1.53 -3.47 115.11 118.35 1ge8 h GLN 192 Ca -0.25 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.03 1ge8 h GLN 192 Cb 1.21 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.47 1ge8 h GLN 192 CO 0.49 0.59 0.47 -1.83 -0.95 0.00 0.00 178.83 177.60 1ge8 s GLU 193 N -2.71 0.79 -0.19 1.46 -1.05 -1.25 -5.11 118.70 110.64 1ge8 s GLU 193 Ca -0.02 -0.11 -0.39 0.00 -0.15 0.00 0.00 54.97 54.29 1ge8 s GLU 193 Cb 0.09 0.37 -0.16 0.00 -0.44 0.00 0.00 34.13 33.98 1ge8 s GLU 193 CO 0.82 -0.31 1.63 -1.91 0.95 0.00 0.00 175.26 176.43 1ge8 n GLU 194 N 0.17 1.10 -5.11 -4.83 2.13 -1.26 -4.83 120.64 108.01 1ge8 n GLU 194 Ca -0.11 0.40 -0.30 0.00 0.66 0.00 0.00 57.16 57.82 1ge8 n GLU 194 Cb 0.60 -2.07 -0.16 0.00 0.27 0.00 0.00 31.44 30.08 1ge8 n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ge8 s THR 195 N 2.71 1.84 -0.05 6.31 2.01 0.14 -4.92 115.64 123.68 1ge8 s THR 195 Ca 0.95 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 1ge8 s THR 195 Cb -1.06 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 69.90 1ge8 s THR 195 CO 0.61 0.52 0.23 -0.54 -0.69 0.00 0.00 174.62 174.75 1ge8 s LYS 196 N -0.04 0.44 0.01 4.92 1.02 -1.26 -0.19 119.74 124.64 1ge8 s LYS 196 Ca -0.05 -0.00 -0.29 0.00 0.02 0.00 0.00 55.97 55.65 1ge8 s LYS 196 Cb -0.13 0.20 0.10 0.00 -0.52 0.00 0.00 37.83 37.47 1ge8 s LYS 196 CO 0.04 -0.09 1.06 -1.54 -0.92 0.00 0.00 175.35 173.90 1ge8 s SER 197 N -0.66 -0.19 0.08 2.83 1.04 -0.91 -2.02 113.70 113.86 1ge8 s SER 197 Ca -0.08 -0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.27 1ge8 s SER 197 Cb -0.04 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 1ge8 s SER 197 CO 0.02 -0.57 -0.21 0.00 0.98 0.00 0.00 173.24 173.45 1ge8 s ALA 198 N -2.89 1.80 0.10 5.32 0.00 -1.26 -0.21 121.76 124.62 1ge8 s ALA 198 Ca 0.10 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1ge8 s ALA 198 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1ge8 s ALA 198 CO -0.03 0.38 -0.07 0.71 0.00 0.00 0.00 175.76 176.75 1ge8 s TYR 199 N -1.00 0.92 0.06 0.00 1.51 -0.56 -0.12 117.35 118.15 1ge8 s TYR 199 Ca 0.07 -0.88 -0.31 0.00 -1.01 0.00 0.00 57.07 54.95 1ge8 s TYR 199 Cb -0.09 -0.52 -0.06 0.00 -0.11 0.00 0.00 41.96 41.17 1ge8 s TYR 199 CO 0.03 -0.12 1.25 0.20 -1.11 0.00 0.00 175.55 175.80 1ge8 s GLY 200 N -2.97 2.25 0.24 0.71 0.00 -1.26 -1.37 107.32 104.92 1ge8 s GLY 200 Ca 0.11 0.89 -0.04 0.00 0.00 0.00 0.00 44.72 45.68 1ge8 s GLY 200 CO -0.04 2.15 1.72 -2.08 0.00 0.00 0.00 173.10 174.85 1ge8 h VAL 201 N 4.52 1.25 -0.95 1.40 2.07 -1.42 -2.88 116.25 120.24 1ge8 h VAL 201 Ca -0.41 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.13 1ge8 h VAL 201 Cb 1.21 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 1ge8 h VAL 201 CO 0.83 0.38 0.60 0.77 0.02 0.00 0.00 177.57 180.17 1ge8 h SER 202 N 0.80 0.93 -0.08 0.57 4.64 -1.92 0.26 113.55 118.75 1ge8 h SER 202 Ca 0.15 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1ge8 h SER 202 Cb 0.49 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1ge8 h SER 202 CO 0.02 0.56 -0.04 1.88 -0.87 0.00 0.00 176.83 178.38 1ge8 h TYR 203 N 1.04 0.19 -0.51 4.77 -1.99 -1.92 -3.05 116.97 115.50 1ge8 h TYR 203 Ca 0.43 -0.05 0.03 0.00 2.00 0.00 0.00 58.73 61.15 1ge8 h TYR 203 Cb 0.28 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 38.94 1ge8 h TYR 203 CO -0.02 0.54 0.34 -0.07 -0.00 0.00 0.00 178.16 178.95 1ge8 h LEU 204 N -0.22 0.49 -0.08 3.88 3.38 -1.23 -1.28 115.31 120.25 1ge8 h LEU 204 Ca 0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1ge8 h LEU 204 Cb 0.49 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ge8 h LEU 204 CO 0.01 0.34 0.01 0.28 0.09 0.00 0.00 178.44 179.17 1ge8 h SER 205 N 0.57 -0.01 -0.44 -0.43 0.02 -0.87 0.34 113.55 112.73 1ge8 h SER 205 Ca 0.21 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1ge8 h SER 205 Cb 0.11 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1ge8 h SER 205 CO -0.05 0.01 0.01 0.44 -1.14 0.00 0.00 176.83 176.10 1ge8 h ASP 206 N 0.04 0.80 -0.66 3.07 3.32 -1.34 -2.79 116.42 118.87 1ge8 h ASP 206 Ca 0.04 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 1ge8 h ASP 206 Cb 0.03 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1ge8 h ASP 206 CO -0.05 0.86 0.10 0.24 -1.72 0.00 0.00 179.24 178.66 1ge8 h MET 207 N 0.78 1.10 -0.21 3.56 2.86 -0.81 -2.26 114.93 119.95 1ge8 h MET 207 Ca 0.15 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1ge8 h MET 207 Cb 0.45 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1ge8 h MET 207 CO 0.02 1.01 0.00 1.33 1.06 0.00 0.00 176.91 180.33 1ge8 n VAL 208 N -4.22 0.28 -2.48 -2.22 0.24 0.07 -4.76 118.33 105.24 1ge8 n VAL 208 Ca 0.04 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 1ge8 n VAL 208 Cb 0.30 0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 1ge8 n VAL 208 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ge8 s LYS 209 N -1.73 4.46 0.00 7.34 2.47 -0.85 -2.76 119.74 128.67 1ge8 s LYS 209 Ca 0.14 1.70 0.00 0.00 -1.56 0.00 0.00 55.97 56.25 1ge8 s LYS 209 Cb 0.07 -3.36 0.00 0.00 -1.46 0.00 0.00 37.83 33.08 1ge8 s LYS 209 CO 0.09 -0.20 0.00 0.41 0.16 0.00 0.00 175.35 175.81 1ge8 n GLY 210 N 3.09 2.87 3.65 5.54 0.00 -1.26 -4.86 105.19 114.22 1ge8 n GLY 210 Ca 0.08 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.63 1ge8 n GLY 210 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ge8 n LEU 211 N 0.00 2.76 -4.59 0.99 7.94 -1.11 -4.95 117.00 118.03 1ge8 n LEU 211 Ca 0.00 1.11 -0.29 0.00 -1.11 0.00 0.00 56.01 55.72 1ge8 n LEU 211 Cb 0.00 -1.38 0.22 0.00 0.53 0.00 0.00 43.42 42.79 1ge8 n LEU 211 CO 0.00 -0.55 0.60 -0.83 -1.11 0.00 0.00 177.39 175.50 1ge8 s GLY 212 N 0.57 1.55 -0.12 -3.96 0.00 -1.26 -4.94 107.32 99.17 1ge8 s GLY 212 Ca 0.76 -0.59 -0.08 0.00 0.00 0.00 0.00 44.72 44.80 1ge8 s GLY 212 CO 0.44 0.17 0.39 1.70 0.00 0.00 0.00 173.10 175.79 1ge8 h LYS 213 N -2.37 0.27 -0.01 2.90 3.64 -1.92 -3.31 116.57 115.76 1ge8 h LYS 213 Ca -0.52 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.41 1ge8 h LYS 213 Cb 1.32 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1ge8 h LYS 213 CO 0.46 1.22 -0.35 0.00 -2.27 0.00 0.00 179.45 178.51 1ge8 n ALA 214 N -3.00 3.29 -1.76 5.00 0.00 -1.26 -1.85 120.51 120.92 1ge8 n ALA 214 Ca -0.31 -0.57 -0.39 0.00 0.00 0.00 0.00 53.44 52.17 1ge8 n ALA 214 Cb 1.04 -0.91 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 1ge8 n ALA 214 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ge8 s ASP 215 N -2.43 7.24 -0.03 0.00 3.84 -1.26 -4.77 116.67 119.25 1ge8 s ASP 215 Ca 0.22 2.12 -0.27 0.00 -0.00 0.00 0.00 52.55 54.62 1ge8 s ASP 215 Cb 0.19 -2.61 -0.03 0.00 -1.38 0.00 0.00 42.92 39.08 1ge8 s ASP 215 CO 0.52 -0.15 0.83 -1.61 -0.00 0.00 0.00 175.17 174.76 1ge8 s GLU 216 N -1.67 4.50 -0.14 2.11 8.01 -1.26 -1.14 118.70 129.10 1ge8 s GLU 216 Ca 0.47 1.14 -0.01 0.00 0.01 0.00 0.00 54.97 56.58 1ge8 s GLU 216 Cb -0.28 -3.45 -0.01 0.00 -4.31 0.00 0.00 34.13 26.08 1ge8 s GLU 216 CO 0.35 0.01 -0.12 0.08 0.01 0.00 0.00 175.26 175.60 1ge8 s VAL 217 N 0.88 3.14 -0.21 2.63 1.01 -0.14 -4.49 120.40 123.23 1ge8 s VAL 217 Ca 0.44 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 1ge8 s VAL 217 Cb -0.19 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1ge8 s VAL 217 CO 0.23 0.51 0.10 -0.89 0.00 0.00 0.00 175.10 175.05 1ge8 s THR 218 N 0.45 5.01 -0.07 3.92 2.01 -0.08 -1.37 115.64 125.51 1ge8 s THR 218 Ca -0.09 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.01 1ge8 s THR 218 Cb -0.16 -3.29 -0.00 0.00 0.01 0.00 0.00 72.50 69.06 1ge8 s THR 218 CO 0.04 0.42 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.54 1ge8 s ILE 219 N 0.64 1.90 -0.02 1.82 1.01 0.11 -1.20 121.20 125.46 1ge8 s ILE 219 Ca 0.05 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.79 1ge8 s ILE 219 Cb -0.13 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1ge8 s ILE 219 CO 0.01 0.53 -0.12 -0.54 0.00 0.00 0.00 174.94 174.82 1ge8 s LYS 220 N 0.15 1.05 0.23 2.79 1.02 0.01 -0.23 119.74 124.75 1ge8 s LYS 220 Ca -0.11 -0.42 -0.08 0.00 0.02 0.00 0.00 55.97 55.38 1ge8 s LYS 220 Cb -0.15 -0.99 0.03 0.00 -0.52 0.00 0.00 37.83 36.20 1ge8 s LYS 220 CO 0.06 0.22 0.45 1.97 -0.92 0.00 0.00 175.35 177.13 1ge8 n PHE 221 N 2.94 -1.74 -3.98 3.18 1.16 -0.85 0.54 117.46 118.71 1ge8 n PHE 221 Ca -0.15 -1.11 -0.11 0.00 -1.87 0.00 0.00 57.45 54.20 1ge8 n PHE 221 Cb 0.55 0.52 -0.03 0.00 -1.61 0.00 0.00 39.48 38.92 1ge8 n PHE 221 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1ge8 s GLY 222 N -2.21 0.88 0.05 4.97 0.00 -1.26 -1.91 107.32 107.84 1ge8 s GLY 222 Ca 0.10 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 43.42 1ge8 s GLY 222 CO 0.07 -0.68 1.86 -1.31 0.00 0.00 0.00 173.10 173.05 1ge8 s ASN 223 N -3.12 6.48 -1.38 1.64 0.01 -1.26 -2.54 114.94 114.77 1ge8 s ASN 223 Ca 0.24 2.62 -0.13 0.00 -0.71 0.00 0.00 52.86 54.87 1ge8 s ASN 223 Cb -0.02 -2.54 0.11 0.00 0.41 0.00 0.00 41.25 39.21 1ge8 s ASN 223 CO 0.14 -1.01 0.56 -0.62 -1.51 0.00 0.00 177.10 174.67 1ge8 n GLU 224 N 6.85 -3.01 -4.45 -0.60 -0.58 -0.86 -4.94 120.64 113.05 1ge8 n GLU 224 Ca 0.19 0.37 -0.22 0.00 -0.42 0.00 0.00 57.16 57.08 1ge8 n GLU 224 Cb 0.40 -5.06 -0.10 0.00 -0.57 0.00 0.00 31.44 26.12 1ge8 n GLU 224 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ge8 s MET 225 N -6.36 1.68 0.94 3.49 0.23 -1.05 -4.89 119.30 113.34 1ge8 s MET 225 Ca 0.53 -1.95 -0.10 0.00 -1.03 0.00 0.00 55.69 53.14 1ge8 s MET 225 Cb -0.29 -0.78 0.16 0.00 -1.53 0.00 0.00 34.83 32.39 1ge8 s MET 225 CO 0.65 -0.24 1.14 -1.25 -2.03 0.00 0.00 175.02 173.29 1ge8 s PRO 226 N -3.88 0.78 -0.01 3.16 0.04 -1.26 -4.35 135.00 129.47 1ge8 s PRO 226 Ca 0.34 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.91 1ge8 s PRO 226 Cb 0.08 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 1ge8 s PRO 226 CO 0.15 -2.78 -0.06 1.41 0.04 0.00 0.00 177.00 175.76 1ge8 s MET 227 N -4.62 2.63 -0.14 4.56 1.75 0.08 -4.01 119.30 119.55 1ge8 s MET 227 Ca 0.67 -0.67 -0.01 0.00 -1.25 0.00 0.00 55.69 54.44 1ge8 s MET 227 Cb -0.23 -2.55 -0.02 0.00 2.84 0.00 0.00 34.83 34.87 1ge8 s MET 227 CO 0.59 0.62 -0.12 -1.14 -0.65 0.00 0.00 175.02 174.32 1ge8 s GLN 228 N -1.31 3.41 -0.07 4.11 0.74 0.19 -0.52 119.66 126.21 1ge8 s GLN 228 Ca 0.16 -0.67 0.03 0.00 0.05 0.00 0.00 55.36 54.93 1ge8 s GLN 228 Cb -0.11 -2.67 0.01 0.00 1.10 0.00 0.00 33.01 31.34 1ge8 s GLN 228 CO 0.07 0.20 -0.14 1.41 -0.55 0.00 0.00 175.29 176.28 1ge8 s MET 229 N 0.40 1.82 -0.03 1.67 -2.45 0.30 -0.81 119.30 120.20 1ge8 s MET 229 Ca -0.10 -0.47 -0.08 0.00 -1.25 0.00 0.00 55.69 53.79 1ge8 s MET 229 Cb -0.16 -1.49 0.01 0.00 1.25 0.00 0.00 34.83 34.44 1ge8 s MET 229 CO 0.05 0.07 0.18 -1.83 1.05 0.00 0.00 175.02 174.54 1ge8 s GLU 230 N 0.56 0.42 0.21 4.11 -1.05 -0.34 0.34 118.70 122.95 1ge8 s GLU 230 Ca -0.14 -0.14 -0.15 0.00 -0.15 0.00 0.00 54.97 54.39 1ge8 s GLU 230 Cb -0.15 0.18 0.01 0.00 -0.44 0.00 0.00 34.13 33.73 1ge8 s GLU 230 CO 0.04 -0.09 0.48 1.52 0.95 0.00 0.00 175.26 178.15 1ge8 s TYR 231 N -0.87 0.12 0.20 4.83 -0.85 -0.95 -0.90 117.35 118.93 1ge8 s TYR 231 Ca -0.10 -0.48 0.06 0.00 -0.52 0.00 0.00 57.07 56.04 1ge8 s TYR 231 Cb -0.05 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 1ge8 s TYR 231 CO 0.01 -0.93 0.13 0.71 -1.52 0.00 0.00 175.55 173.96 1ge8 s TYR 232 N -3.94 3.07 -0.14 -3.49 1.51 -1.26 -1.58 117.35 111.53 1ge8 s TYR 232 Ca 0.15 -0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 1ge8 s TYR 232 Cb -0.00 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1ge8 s TYR 232 CO 0.02 0.53 -0.20 0.42 -1.11 0.00 0.00 175.55 175.21 1ge8 s ILE 233 N -1.90 2.30 -1.49 2.71 -1.09 0.47 -4.58 121.20 117.62 1ge8 s ILE 233 Ca 0.31 -0.91 -0.06 0.00 -2.23 0.00 0.00 60.65 57.77 1ge8 s ILE 233 Cb -0.09 -1.93 0.02 0.00 -1.58 0.00 0.00 42.46 38.88 1ge8 s ILE 233 CO 0.23 0.54 0.55 0.54 -1.23 0.00 0.00 174.94 175.57 1ge8 n ARG 234 N 3.92 -4.41 0.00 2.79 5.12 -1.26 0.31 116.66 123.14 1ge8 n ARG 234 Ca -0.19 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.52 1ge8 n ARG 234 Cb 0.52 -5.62 0.00 0.00 -1.16 0.00 0.00 32.46 26.20 1ge8 n ARG 234 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1ge8 n ASP 235 N -2.44 0.00 -0.09 0.55 8.00 -1.26 -4.30 116.55 117.01 1ge8 n ASP 235 Ca -0.09 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 1ge8 n ASP 235 Cb 0.60 -0.42 -0.08 0.00 -0.02 0.00 0.00 41.12 41.20 1ge8 n ASP 235 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ge8 n GLU 236 N -0.84 0.44 -2.01 -1.24 -0.58 -1.07 -4.95 120.64 110.39 1ge8 n GLU 236 Ca 0.00 0.10 -0.40 0.00 -0.42 0.00 0.00 57.16 56.44 1ge8 n GLU 236 Cb 0.00 -1.35 -0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1ge8 n GLU 236 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ge8 s GLY 237 N -5.70 2.94 -0.11 0.62 0.00 0.15 -4.69 107.32 100.52 1ge8 s GLY 237 Ca -0.24 1.30 0.03 0.00 0.00 0.00 0.00 44.72 45.82 1ge8 s GLY 237 CO 0.41 1.91 -0.23 -1.60 0.00 0.00 0.00 173.10 173.58 1ge8 s ARG 238 N -2.19 3.05 -0.22 2.90 3.52 0.51 -0.39 118.95 126.12 1ge8 s ARG 238 Ca 0.56 -0.87 0.02 0.00 -0.13 0.00 0.00 55.73 55.31 1ge8 s ARG 238 Cb -0.40 -2.35 0.04 0.00 -1.56 0.00 0.00 34.95 30.68 1ge8 s ARG 238 CO 0.52 0.12 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.82 1ge8 s LEU 239 N 0.50 2.75 -0.12 -0.88 2.96 -0.61 -1.13 118.68 122.15 1ge8 s LEU 239 Ca -0.15 -1.05 0.02 0.00 -0.22 0.00 0.00 54.13 52.73 1ge8 s LEU 239 Cb -0.17 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 1ge8 s LEU 239 CO 0.05 -0.13 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.89 1ge8 s THR 240 N 1.24 2.60 0.01 3.68 2.01 0.38 -2.23 115.64 123.34 1ge8 s THR 240 Ca -0.03 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.22 1ge8 s THR 240 Cb -0.17 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1ge8 s THR 240 CO -0.08 0.54 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.83 1ge8 s PHE 241 N 0.37 2.51 -0.18 4.92 0.40 0.15 -0.27 117.98 125.88 1ge8 s PHE 241 Ca -0.14 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1ge8 s PHE 241 Cb -0.17 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 41.91 1ge8 s PHE 241 CO 0.07 0.17 -0.14 -0.51 0.70 0.00 0.00 175.22 175.51 1ge8 s LEU 242 N -1.13 2.11 -0.19 -0.37 1.43 -0.30 -0.54 118.68 119.69 1ge8 s LEU 242 Ca 0.13 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1ge8 s LEU 242 Cb -0.10 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.84 1ge8 s LEU 242 CO 0.03 -0.09 -0.15 -0.22 0.23 0.00 0.00 176.35 176.15 1ge8 s LEU 243 N 1.39 2.39 0.54 1.79 2.96 0.32 -0.81 118.68 127.26 1ge8 s LEU 243 Ca 0.02 -0.56 -0.21 0.00 -0.22 0.00 0.00 54.13 53.16 1ge8 s LEU 243 Cb -0.15 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 1ge8 s LEU 243 CO -0.10 0.00 1.23 0.00 -1.32 0.00 0.00 176.35 176.17 1ge8 s ALA 244 N 1.31 2.73 0.84 5.97 0.00 -0.30 -0.75 121.76 131.57 1ge8 s ALA 244 Ca 0.04 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 1ge8 s ALA 244 Cb -0.14 -3.46 0.09 0.00 0.00 0.00 0.00 23.12 19.62 1ge8 s ALA 244 CO -0.09 -1.07 1.10 -1.25 0.00 0.00 0.00 175.76 174.44 1ge8 s PRO 245 N -3.05 1.72 0.08 0.00 0.04 -1.26 -4.72 135.00 127.81 1ge8 s PRO 245 Ca 0.72 1.09 -0.27 0.00 0.04 0.00 0.00 61.00 62.58 1ge8 s PRO 245 Cb -0.32 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 1ge8 s PRO 245 CO 0.37 -1.99 0.85 0.50 0.04 0.00 0.00 177.00 176.77 1ge8 s ARG 246 N -4.88 4.59 0.00 4.56 3.52 0.83 -4.94 118.95 122.63 1ge8 s ARG 246 Ca 0.63 1.23 0.00 0.00 -0.13 0.00 0.00 55.73 57.46 1ge8 s ARG 246 Cb -0.18 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 1ge8 s ARG 246 CO 0.57 0.26 0.49 1.33 -0.81 0.00 0.00 175.30 177.15