#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gr9 s PRO 5 N 0.00 3.54 0.33 2.98 0.04 -1.26 0.19 135.00 140.81 3gr9 s PRO 5 Ca 0.00 -0.26 0.14 0.00 0.04 0.00 0.00 61.00 60.91 3gr9 s PRO 5 Cb 0.00 -2.76 0.55 0.00 0.04 0.00 0.00 34.50 32.32 3gr9 s PRO 5 CO 0.00 0.31 1.70 -0.07 0.04 0.00 0.00 177.00 178.98 3gr9 h LEU 6 N 1.69 0.00 -8.80 -3.56 3.38 -1.96 -3.39 115.31 102.68 3gr9 h LEU 6 Ca -0.48 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.16 3gr9 h LEU 6 Cb 1.20 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 3gr9 h LEU 6 CO 0.66 0.49 -0.61 0.00 0.09 0.00 0.00 178.44 179.07 3gr9 s ALA 7 N -3.74 1.58 0.14 1.53 0.00 -1.26 -4.45 121.76 115.57 3gr9 s ALA 7 Ca -0.01 -1.80 -0.22 0.00 0.00 0.00 0.00 51.96 49.92 3gr9 s ALA 7 Cb 0.13 1.18 0.06 0.00 0.00 0.00 0.00 23.12 24.49 3gr9 s ALA 7 CO 0.73 -0.51 0.57 -1.54 0.00 0.00 0.00 175.76 175.01 3gr9 s SER 8 N -3.27 -0.52 0.47 0.00 1.04 -1.26 -5.13 113.70 105.03 3gr9 s SER 8 Ca 0.38 0.00 -0.21 0.00 0.48 0.00 0.00 55.95 56.60 3gr9 s SER 8 Cb 0.07 0.57 -0.08 0.00 0.10 0.00 0.00 66.02 66.68 3gr9 s SER 8 CO 0.14 -0.92 1.06 -0.55 0.98 0.00 0.00 173.24 173.94 3gr9 s SER 9 N -2.64 6.36 0.00 7.02 0.15 -1.26 -4.96 113.70 118.38 3gr9 s SER 9 Ca 0.00 2.00 0.02 0.00 0.70 0.00 0.00 55.95 58.67 3gr9 s SER 9 Cb -0.01 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 3gr9 s SER 9 CO -0.11 -0.77 0.89 0.35 1.20 0.00 0.00 173.24 174.80 3gr9 n THR 10 N -0.77 0.70 -3.16 6.45 -2.24 -1.26 -4.98 114.28 109.02 3gr9 n THR 10 Ca 0.08 -0.85 -0.24 0.00 -2.27 0.00 0.00 64.05 60.78 3gr9 n THR 10 Cb 0.51 0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3gr9 n THR 10 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3gr9 s TRP 11 N -0.74 3.37 0.00 4.78 0.52 -1.26 -4.98 118.94 120.63 3gr9 s TRP 11 Ca 0.03 0.32 0.00 0.00 0.02 0.00 0.00 56.10 56.47 3gr9 s TRP 11 Cb 0.02 -2.11 0.00 0.00 -1.15 0.00 0.00 33.47 30.23 3gr9 s TRP 11 CO 0.02 -0.12 0.00 -0.40 0.02 0.00 0.00 176.95 176.47 3gr9 n ASP 12 N -1.94 0.00 0.18 2.95 5.75 -1.26 -5.02 116.55 117.21 3gr9 n ASP 12 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.83 3gr9 n ASP 12 Cb 0.57 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.83 3gr9 n ASP 12 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3gr9 h ASP 13 N 0.00 0.00 -0.62 -1.12 5.19 -2.00 -3.16 116.42 114.71 3gr9 h ASP 13 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 3gr9 h ASP 13 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 3gr9 h ASP 13 CO 0.00 0.33 0.41 -0.07 -3.12 0.00 0.00 179.24 176.79 3gr9 h LEU 14 N 0.00 0.69 -0.03 1.55 3.38 -1.99 0.40 115.31 119.31 3gr9 h LEU 14 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3gr9 h LEU 14 Cb 1.14 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3gr9 h LEU 14 CO 0.04 0.49 0.00 -0.33 0.09 0.00 0.00 178.44 178.74 3gr9 h GLU 15 N 0.82 0.05 -0.93 1.13 3.07 -1.93 -1.55 114.58 115.24 3gr9 h GLU 15 Ca 0.24 -0.02 0.17 0.00 -0.50 0.00 0.00 59.36 59.25 3gr9 h GLU 15 Cb -0.06 -0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 27.74 3gr9 h GLU 15 CO -0.07 0.34 0.52 1.88 -1.40 0.00 0.00 179.01 180.29 3gr9 h TYR 16 N -0.24 0.92 0.00 4.33 -1.99 -1.36 0.41 116.97 119.05 3gr9 h TYR 16 Ca 0.01 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.77 3gr9 h TYR 16 Cb 0.32 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.78 3gr9 h TYR 16 CO 0.03 0.20 -0.02 1.57 -0.00 0.00 0.00 178.16 179.94 3gr9 h LYS 17 N 0.69 0.00 -0.50 4.88 2.10 -0.86 -0.51 116.57 122.37 3gr9 h LYS 17 Ca 0.53 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 59.10 3gr9 h LYS 17 Cb 0.79 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.10 3gr9 h LYS 17 CO -0.38 0.00 -0.01 0.00 -2.00 0.00 0.00 179.45 177.05 3gr9 h ALA 18 N 2.25 1.04 -0.01 0.07 0.00 0.81 0.18 119.26 123.59 3gr9 h ALA 18 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3gr9 h ALA 18 Cb 0.88 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gr9 h ALA 18 CO 0.00 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.65 3gr9 h ILE 19 N 0.78 1.43 -0.89 0.00 2.04 -0.56 -2.42 117.51 117.90 3gr9 h ILE 19 Ca 0.15 -1.31 0.23 0.00 1.00 0.00 0.00 64.86 64.93 3gr9 h ILE 19 Cb 0.49 2.29 -0.16 0.00 -0.74 0.00 0.00 36.82 38.71 3gr9 h ILE 19 CO 0.02 0.34 0.10 -0.61 0.00 0.00 0.00 178.15 178.01 3gr9 h GLN 20 N -0.50 0.10 -0.81 2.37 5.75 -0.58 0.16 115.11 121.60 3gr9 h GLN 20 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3gr9 h GLN 20 Cb 0.57 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.06 3gr9 h GLN 20 CO 0.00 0.06 0.47 0.77 -2.65 0.00 0.00 178.83 177.49 3gr9 h SER 21 N 0.10 0.98 0.75 -0.69 0.02 -0.39 -1.59 113.55 112.73 3gr9 h SER 21 Ca 0.54 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.39 3gr9 h SER 21 Cb 1.07 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 3gr9 h SER 21 CO -0.76 0.77 -0.07 0.58 -1.14 0.00 0.00 176.83 176.21 3gr9 h VAL 22 N 1.11 0.22 0.65 2.27 2.07 -0.22 -3.04 116.25 119.32 3gr9 h VAL 22 Ca 0.29 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3gr9 h VAL 22 Cb -0.01 1.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3gr9 h VAL 22 CO -0.05 0.07 -0.31 -0.07 0.02 0.00 0.00 177.57 177.23 3gr9 h LEU 23 N 0.00 -0.74 -2.08 2.57 3.38 -0.45 -3.08 115.31 114.91 3gr9 h LEU 23 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gr9 h LEU 23 Cb 0.46 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3gr9 h LEU 23 CO 0.01 -0.36 0.16 0.44 0.09 0.00 0.00 178.44 178.78 3gr9 h ASP 24 N -1.22 0.00 0.64 -0.43 5.19 -1.51 0.30 116.42 119.39 3gr9 h ASP 24 Ca -0.09 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.07 3gr9 h ASP 24 Cb 0.67 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 3gr9 h ASP 24 CO 0.15 0.00 -1.13 0.77 -3.12 0.00 0.00 179.24 175.90 3gr9 h SER 25 N 0.00 0.36 -5.46 6.45 4.64 -1.49 -3.47 113.55 114.58 3gr9 h SER 25 Ca 0.00 -0.36 -0.34 0.00 -0.47 0.00 0.00 61.79 60.61 3gr9 h SER 25 Cb 0.32 -0.12 0.14 0.00 -0.31 0.00 0.00 62.40 62.44 3gr9 h SER 25 CO 0.00 1.25 -0.67 0.29 -0.87 0.00 0.00 176.83 176.84 3gr9 n LYS 26 N -3.55 -6.92 -3.40 4.77 4.01 0.11 -4.96 118.16 108.22 3gr9 n LYS 26 Ca -0.07 0.78 -0.20 0.00 -0.51 0.00 0.00 58.31 58.32 3gr9 n LYS 26 Cb 0.97 -5.65 -0.10 0.00 -0.51 0.00 0.00 35.03 29.74 3gr9 n LYS 26 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 3gr9 s MET 27 N -5.83 0.49 -0.11 1.97 1.75 -1.26 -5.03 119.30 111.29 3gr9 s MET 27 Ca 0.32 -0.69 0.17 0.00 -1.25 0.00 0.00 55.69 54.23 3gr9 s MET 27 Cb -0.14 -0.83 -0.24 0.00 2.84 0.00 0.00 34.83 36.46 3gr9 s MET 27 CO 0.68 -1.13 0.37 1.19 -0.65 0.00 0.00 175.02 175.48 3gr9 n PHE 28 N 4.62 0.42 -2.22 4.11 3.72 -1.26 -4.89 117.46 121.96 3gr9 n PHE 28 Ca 0.06 0.15 -0.41 0.00 -0.05 0.00 0.00 57.45 57.20 3gr9 n PHE 28 Cb 0.44 -1.03 -0.03 0.00 -0.94 0.00 0.00 39.48 37.92 3gr9 n PHE 28 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3gr9 s THR 29 N -2.66 3.01 -0.12 4.37 2.01 -1.26 -1.53 115.64 119.46 3gr9 s THR 29 Ca -0.07 0.97 -0.11 0.00 0.31 0.00 0.00 61.69 62.78 3gr9 s THR 29 Cb 0.08 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 3gr9 s THR 29 CO 0.83 0.21 0.41 1.15 -0.69 0.00 0.00 174.62 176.53 3gr9 n MET 30 N 1.34 0.00 0.00 4.92 0.00 -1.24 -4.51 117.12 117.63 3gr9 n MET 30 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 3gr9 n MET 30 Cb 0.43 -0.36 0.00 0.00 0.00 0.00 0.00 33.22 33.29 3gr9 n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gr9 n GLY 31 N 1.15 2.85 0.27 3.17 0.00 -1.26 -4.93 105.19 106.44 3gr9 n GLY 31 Ca 0.09 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 3gr9 n GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gr9 h GLU 32 N 0.00 -0.30 -0.77 1.61 5.08 -1.95 -1.20 114.58 117.05 3gr9 h GLU 32 Ca 0.00 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3gr9 h GLU 32 Cb 0.00 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 3gr9 h GLU 32 CO 0.00 -0.20 0.46 1.88 -1.00 0.00 0.00 179.01 180.15 3gr9 h TYR 33 N -0.31 0.85 0.71 4.33 0.05 -1.95 -1.06 116.97 119.60 3gr9 h TYR 33 Ca 0.09 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 3gr9 h TYR 33 Cb 0.44 -0.27 0.01 0.00 1.01 0.00 0.00 36.73 37.92 3gr9 h TYR 33 CO -0.32 0.44 -0.34 0.28 -1.05 0.00 0.00 178.16 177.17 3gr9 h VAL 34 N 0.86 0.00 -0.98 -2.88 2.07 -1.72 -0.15 116.25 113.45 3gr9 h VAL 34 Ca 0.33 -0.02 0.17 0.00 0.82 0.00 0.00 66.70 68.00 3gr9 h VAL 34 Cb 0.14 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.74 3gr9 h VAL 34 CO -0.16 0.00 -0.32 1.17 0.02 0.00 0.00 177.57 178.28 3gr9 n LYS 35 N -4.64 -0.17 0.12 1.57 4.81 -0.49 0.56 118.16 119.92 3gr9 n LYS 35 Ca -0.12 1.52 -0.14 0.00 -0.87 0.00 0.00 58.31 58.71 3gr9 n LYS 35 Cb 0.38 -2.27 -0.08 0.00 0.02 0.00 0.00 35.03 33.08 3gr9 n LYS 35 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3gr9 h GLN 36 N 0.00 -0.23 -0.74 1.64 5.75 -1.01 -0.43 115.11 120.09 3gr9 h GLN 36 Ca 0.40 0.02 0.17 0.00 -0.15 0.00 0.00 58.65 59.08 3gr9 h GLN 36 Cb 0.65 0.05 -0.12 0.00 1.07 0.00 0.00 27.48 29.13 3gr9 h GLN 36 CO -0.99 -0.09 0.11 -0.92 -2.65 0.00 0.00 178.83 174.28 3gr9 h TYR 37 N -0.32 0.14 0.00 3.99 3.20 0.20 1.32 116.97 125.50 3gr9 h TYR 37 Ca -0.02 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3gr9 h TYR 37 Cb 0.25 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 3gr9 h TYR 37 CO -0.04 -0.16 -0.10 0.93 -1.64 0.00 0.00 178.16 177.15 3gr9 h GLU 38 N 0.19 0.00 0.07 1.82 5.08 0.29 0.15 114.58 122.18 3gr9 h GLU 38 Ca 0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3gr9 h GLU 38 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3gr9 h GLU 38 CO -0.57 0.10 -0.03 1.15 -1.00 0.00 0.00 179.01 178.65 3gr9 h THR 39 N 0.00 1.08 -0.26 1.13 2.02 0.33 -3.19 112.91 114.02 3gr9 h THR 39 Ca -0.00 -1.53 -0.01 0.00 0.77 0.00 0.00 66.41 65.64 3gr9 h THR 39 Cb 0.21 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 3gr9 h THR 39 CO 0.01 0.32 0.10 1.56 0.37 0.00 0.00 175.52 177.89 3gr9 h GLN 40 N -0.90 0.36 -0.16 6.66 1.08 -0.51 -1.53 115.11 120.11 3gr9 h GLN 40 Ca -0.01 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.20 3gr9 h GLN 40 Cb 0.60 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 3gr9 h GLN 40 CO 0.01 0.30 -0.15 0.35 -0.95 0.00 0.00 178.83 178.40 3gr9 h PHE 41 N 0.36 -0.38 -0.58 2.96 3.57 -0.78 0.69 116.94 122.79 3gr9 h PHE 41 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 3gr9 h PHE 41 Cb 0.08 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3gr9 h PHE 41 CO 0.00 -0.22 0.07 0.00 -2.23 0.00 0.00 178.31 175.94 3gr9 h ALA 42 N 0.92 0.77 -0.39 2.41 0.00 -1.46 -1.47 119.26 120.03 3gr9 h ALA 42 Ca 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gr9 h ALA 42 Cb 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gr9 h ALA 42 CO -0.26 0.53 0.23 -0.22 0.00 0.00 0.00 179.25 179.53 3gr9 h LYS 43 N 0.86 0.53 -0.35 0.00 3.11 -0.81 -0.61 116.57 119.31 3gr9 h LYS 43 Ca 0.17 -0.05 0.06 0.00 -2.81 0.00 0.00 60.65 58.02 3gr9 h LYS 43 Cb 0.45 -0.11 -0.06 0.00 -1.00 0.00 0.00 32.23 31.51 3gr9 h LYS 43 CO 0.01 0.40 -0.01 1.15 -2.81 0.00 0.00 179.45 178.20 3gr9 h THR 44 N 0.51 0.73 -0.29 1.00 2.02 0.11 -3.22 112.91 113.77 3gr9 h THR 44 Ca 0.14 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.29 3gr9 h THR 44 Cb 0.01 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3gr9 h THR 44 CO -0.03 0.02 0.00 0.49 0.37 0.00 0.00 175.52 176.37 3gr9 n PHE 45 N -5.19 0.36 -2.42 3.16 3.72 -0.62 -5.01 117.46 111.46 3gr9 n PHE 45 Ca 0.01 -0.21 -0.03 0.00 -0.05 0.00 0.00 57.45 57.18 3gr9 n PHE 45 Cb 0.18 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.73 3gr9 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gr9 n GLY 46 N 1.29 0.56 3.48 1.37 0.00 -0.27 -4.52 105.19 107.09 3gr9 n GLY 46 Ca 0.16 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 3gr9 n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gr9 s SER 47 N -3.11 3.28 -0.07 1.61 0.15 -0.97 -5.02 113.70 109.57 3gr9 s SER 47 Ca 0.04 -1.16 -0.21 0.00 0.70 0.00 0.00 55.95 55.32 3gr9 s SER 47 Cb -0.02 -0.26 -0.30 0.00 -1.71 0.00 0.00 66.02 63.73 3gr9 s SER 47 CO 0.09 -0.22 0.78 0.11 1.20 0.00 0.00 173.24 175.20 3gr9 h LYS 48 N 2.18 0.25 -5.38 5.44 1.57 -1.85 -3.42 116.57 115.37 3gr9 h LYS 48 Ca -0.41 -0.44 -0.50 0.00 -1.87 0.00 0.00 60.65 57.44 3gr9 h LYS 48 Cb 1.24 0.16 -0.29 0.00 0.08 0.00 0.00 32.23 33.43 3gr9 h LYS 48 CO 0.67 1.21 -0.82 0.71 -0.57 0.00 0.00 179.45 180.66 3gr9 s TYR 49 N -2.42 1.33 0.05 -1.35 2.02 0.43 -4.98 117.35 112.43 3gr9 s TYR 49 Ca -0.16 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.33 3gr9 s TYR 49 Cb 0.02 -0.85 -0.02 0.00 -0.40 0.00 0.00 41.96 40.70 3gr9 s TYR 49 CO 0.80 -0.02 -0.15 0.00 -1.57 0.00 0.00 175.55 174.61 3gr9 s ALA 50 N -0.39 1.27 -0.04 3.71 0.00 -1.26 0.11 121.76 125.16 3gr9 s ALA 50 Ca 0.05 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3gr9 s ALA 50 Cb -0.06 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.90 3gr9 s ALA 50 CO -0.00 0.23 -0.03 0.08 0.00 0.00 0.00 175.76 176.04 3gr9 s VAL 51 N -0.97 0.45 -0.07 0.00 1.01 0.20 -4.90 120.40 116.11 3gr9 s VAL 51 Ca 0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 3gr9 s VAL 51 Cb -0.09 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 3gr9 s VAL 51 CO 0.02 0.21 0.30 -0.32 0.00 0.00 0.00 175.10 175.31 3gr9 s MET 52 N 1.02 3.83 0.32 2.72 1.75 -1.26 -0.71 119.30 126.98 3gr9 s MET 52 Ca -0.10 0.18 0.04 0.00 -1.25 0.00 0.00 55.69 54.57 3gr9 s MET 52 Cb -0.14 -3.25 -0.04 0.00 2.84 0.00 0.00 34.83 34.24 3gr9 s MET 52 CO -0.01 0.63 0.16 0.14 -0.65 0.00 0.00 175.02 175.29 3gr9 s VAL 53 N -0.76 0.39 0.52 10.11 -7.23 0.03 -4.39 120.40 119.06 3gr9 s VAL 53 Ca 0.20 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.53 3gr9 s VAL 53 Cb -0.15 -2.50 0.27 0.00 0.56 0.00 0.00 36.38 34.57 3gr9 s VAL 53 CO 0.09 0.00 2.15 0.77 -0.31 0.00 0.00 175.10 177.80 3gr9 h SER 54 N 2.13 0.00 -5.13 4.85 4.64 -0.96 -1.21 113.55 117.86 3gr9 h SER 54 Ca -0.33 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.12 3gr9 h SER 54 Cb 1.25 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.25 3gr9 h SER 54 CO 0.52 0.00 0.41 -0.94 -0.87 0.00 0.00 176.83 175.96 3gr9 s SER 55 N -7.03 -0.25 0.33 4.97 1.04 -1.26 -2.26 113.70 109.24 3gr9 s SER 55 Ca -0.05 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.06 3gr9 s SER 55 Cb 0.17 0.53 0.66 0.00 0.10 0.00 0.00 66.02 67.48 3gr9 s SER 55 CO 0.66 -0.96 1.93 1.23 0.98 0.00 0.00 173.24 177.08 3gr9 h GLY 56 N 2.00 1.15 0.90 7.32 0.00 -1.67 0.22 103.07 112.99 3gr9 h GLY 56 Ca -0.23 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3gr9 h GLY 56 CO 0.27 0.24 -0.16 1.76 0.00 0.00 0.00 176.54 178.65 3gr9 h SER 57 N 0.87 -0.40 0.49 0.19 0.02 -1.90 -1.23 113.55 111.59 3gr9 h SER 57 Ca 0.37 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.30 3gr9 h SER 57 Cb 0.30 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3gr9 h SER 57 CO -0.14 -0.25 -0.20 0.71 -1.14 0.00 0.00 176.83 175.81 3gr9 h THR 58 N -0.39 0.72 -0.13 -2.27 1.35 -1.49 -0.75 112.91 109.94 3gr9 h THR 58 Ca -0.02 -0.83 -0.07 0.00 -0.55 0.00 0.00 66.41 64.95 3gr9 h THR 58 Cb 0.34 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 3gr9 h THR 58 CO 0.01 0.19 -0.22 0.00 -0.25 0.00 0.00 175.52 175.26 3gr9 h ALA 59 N 1.80 1.40 -0.09 6.62 0.00 0.01 0.76 119.26 129.75 3gr9 h ALA 59 Ca -0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 3gr9 h ALA 59 Cb 0.50 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3gr9 h ALA 59 CO 0.03 0.42 -0.82 -0.91 0.00 0.00 0.00 179.25 177.97 3gr9 h ASN 60 N 0.21 0.88 -0.01 0.00 2.35 -0.00 0.51 115.58 119.51 3gr9 h ASN 60 Ca 0.04 -0.67 0.03 0.00 -0.55 0.00 0.00 56.30 55.14 3gr9 h ASN 60 Cb 0.50 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 3gr9 h ASN 60 CO 0.03 1.42 -0.19 0.25 -1.65 0.00 0.00 177.43 177.29 3gr9 h LEU 61 N 0.42 -0.57 -0.53 1.61 5.85 -0.52 -2.06 115.31 119.50 3gr9 h LEU 61 Ca -0.08 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 3gr9 h LEU 61 Cb 1.46 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.71 3gr9 h LEU 61 CO 0.17 -0.26 0.16 -0.07 -0.34 0.00 0.00 178.44 178.10 3gr9 h LEU 62 N -0.31 0.79 -1.26 2.25 4.07 -0.91 0.17 115.31 120.10 3gr9 h LEU 62 Ca 0.06 -0.21 0.18 0.00 0.08 0.00 0.00 57.88 57.99 3gr9 h LEU 62 Cb 0.39 -0.21 -0.08 0.00 1.08 0.00 0.00 40.66 41.84 3gr9 h LEU 62 CO -0.19 0.79 0.60 -0.03 -1.08 0.00 0.00 178.44 178.54 3gr9 h MET 63 N 0.74 0.61 0.00 1.13 4.05 -0.48 -0.55 114.93 120.42 3gr9 h MET 63 Ca 0.17 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 3gr9 h MET 63 Cb 0.29 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 3gr9 h MET 63 CO -0.00 0.40 -0.15 0.82 0.23 0.00 0.00 176.91 178.20 3gr9 h ILE 64 N 0.62 0.03 -0.92 1.77 5.03 -0.93 -3.34 117.51 119.77 3gr9 h ILE 64 Ca 0.51 -1.02 0.33 0.00 -0.12 0.00 0.00 64.86 64.55 3gr9 h ILE 64 Cb 0.95 0.06 -0.17 0.00 -3.03 0.00 0.00 36.82 34.63 3gr9 h ILE 64 CO -0.26 0.01 0.29 0.00 -0.68 0.00 0.00 178.15 177.51 3gr9 n ALA 65 N -3.03 0.74 -0.16 1.87 0.00 0.01 -1.53 120.51 118.41 3gr9 n ALA 65 Ca -0.02 0.96 -0.02 0.00 0.00 0.00 0.00 53.44 54.35 3gr9 n ALA 65 Cb 0.09 -0.84 0.06 0.00 0.00 0.00 0.00 19.45 18.75 3gr9 n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gr9 h ALA 66 N 1.84 0.44 0.00 0.00 0.00 -1.22 -1.94 119.26 118.38 3gr9 h ALA 66 Ca 0.68 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.76 3gr9 h ALA 66 Cb 1.67 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3gr9 h ALA 66 CO -0.78 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 179.35 3gr9 n LEU 67 N -5.27 0.00 -0.02 0.00 4.77 -0.58 -0.24 117.00 115.66 3gr9 n LEU 67 Ca 0.05 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 3gr9 n LEU 67 Cb 0.28 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 3gr9 n LEU 67 CO 0.14 0.00 -0.77 0.49 -1.33 0.00 0.00 177.39 175.92 3gr9 n PHE 68 N -0.82 0.00 0.95 -1.77 3.01 -0.73 -1.30 117.46 116.81 3gr9 n PHE 68 Ca 0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.59 3gr9 n PHE 68 Cb 0.00 -0.48 0.21 0.00 -0.01 0.00 0.00 39.48 39.21 3gr9 n PHE 68 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3gr9 n PHE 69 N -2.20 0.12 -1.78 1.38 3.72 0.67 -4.71 117.46 114.66 3gr9 n PHE 69 Ca -0.08 -0.06 -0.40 0.00 -0.05 0.00 0.00 57.45 56.85 3gr9 n PHE 69 Cb 0.57 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.12 3gr9 n PHE 69 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3gr9 s THR 70 N -1.88 2.01 0.30 4.37 -4.23 -1.20 -4.85 115.64 110.15 3gr9 s THR 70 Ca 0.32 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.89 3gr9 s THR 70 Cb 0.21 -3.01 0.31 0.00 1.34 0.00 0.00 72.50 71.35 3gr9 s THR 70 CO 0.31 0.00 1.65 0.11 -0.54 0.00 0.00 174.62 176.15 3gr9 h LYS 71 N 2.57 0.23 -3.81 3.99 1.57 -1.92 -1.80 116.57 117.39 3gr9 h LYS 71 Ca -0.51 -0.01 -0.70 0.00 -1.87 0.00 0.00 60.65 57.56 3gr9 h LYS 71 Cb 1.26 -0.05 -0.35 0.00 0.08 0.00 0.00 32.23 33.17 3gr9 h LYS 71 CO 0.62 0.15 -0.39 0.21 -0.57 0.00 0.00 179.45 179.47 3gr9 s LYS 72 N -5.88 2.47 0.12 3.15 2.20 -1.26 -5.05 119.74 115.49 3gr9 s LYS 72 Ca -0.12 -2.35 -0.34 0.00 -0.36 0.00 0.00 55.97 52.80 3gr9 s LYS 72 Cb 0.27 -3.73 -0.17 0.00 -1.51 0.00 0.00 37.83 32.69 3gr9 s LYS 72 CO 0.78 -1.16 0.99 -2.30 -0.36 0.00 0.00 175.35 173.29 3gr9 n PRO 73 N 3.79 0.52 0.07 4.03 -0.02 -0.68 -4.90 135.00 137.81 3gr9 n PRO 73 Ca 0.05 0.19 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 3gr9 n PRO 73 Cb 0.39 -1.57 -0.04 0.00 -0.02 0.00 0.00 33.50 32.26 3gr9 n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gr9 h ARG 74 N 2.72 0.00 -4.83 -0.52 3.08 -1.55 -3.47 114.38 109.80 3gr9 h ARG 74 Ca -0.42 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.35 3gr9 h ARG 74 Cb 1.39 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.30 3gr9 h ARG 74 CO 0.66 0.25 -0.69 -0.51 -1.07 0.00 0.00 179.97 178.61 3gr9 s LEU 75 N -5.82 2.40 0.11 3.04 1.43 -0.42 -5.05 118.68 114.38 3gr9 s LEU 75 Ca -0.01 -1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 51.87 3gr9 s LEU 75 Cb 0.09 -0.16 0.03 0.00 0.03 0.00 0.00 46.19 46.18 3gr9 s LEU 75 CO 0.79 -0.46 0.38 -1.59 0.23 0.00 0.00 176.35 175.71 3gr9 s LYS 76 N -3.83 1.02 0.33 1.70 -2.85 -1.26 -4.50 119.74 110.35 3gr9 s LYS 76 Ca 0.17 -0.68 -0.28 0.00 -1.00 0.00 0.00 55.97 54.19 3gr9 s LYS 76 Cb 0.05 0.45 -0.13 0.00 -2.06 0.00 0.00 37.83 36.14 3gr9 s LYS 76 CO -0.00 -0.39 1.16 1.63 0.10 0.00 0.00 175.35 177.85 3gr9 n LYS 77 N -0.10 1.78 0.00 1.78 5.02 -1.26 -1.42 118.16 123.95 3gr9 n LYS 77 Ca -0.16 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3gr9 n LYS 77 Cb 0.63 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3gr9 n LYS 77 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gr9 n GLY 78 N 0.96 2.08 3.73 0.72 0.00 -0.26 -5.00 105.19 107.42 3gr9 n GLY 78 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3gr9 n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gr9 n ASP 79 N 0.00 2.27 -4.70 1.61 9.92 -0.51 -4.15 116.55 120.99 3gr9 n ASP 79 Ca 0.00 0.89 -0.39 0.00 -0.53 0.00 0.00 54.79 54.76 3gr9 n ASP 79 Cb 0.00 -1.56 -0.06 0.00 -0.64 0.00 0.00 41.12 38.87 3gr9 n ASP 79 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3gr9 s GLU 80 N -3.13 4.32 -0.05 -1.24 2.12 -1.26 -0.30 118.70 119.16 3gr9 s GLU 80 Ca 0.78 0.58 0.04 0.00 0.36 0.00 0.00 54.97 56.72 3gr9 s GLU 80 Cb -0.40 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.51 3gr9 s GLU 80 CO 0.44 0.01 -0.16 -1.50 -0.54 0.00 0.00 175.26 173.52 3gr9 s ILE 81 N 1.06 1.37 0.02 -3.70 2.07 -0.60 -0.94 121.20 120.47 3gr9 s ILE 81 Ca 0.29 -0.67 -0.13 0.00 -1.41 0.00 0.00 60.65 58.74 3gr9 s ILE 81 Cb -0.16 -1.19 -0.06 0.00 0.13 0.00 0.00 42.46 41.19 3gr9 s ILE 81 CO 0.12 0.40 0.39 -0.63 -1.91 0.00 0.00 174.94 173.31 3gr9 s ILE 82 N 0.17 5.07 0.15 2.00 1.01 0.55 -1.55 121.20 128.61 3gr9 s ILE 82 Ca -0.06 0.69 -0.07 0.00 0.00 0.00 0.00 60.65 61.20 3gr9 s ILE 82 Cb -0.12 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 3gr9 s ILE 82 CO 0.03 0.49 0.21 0.68 0.00 0.00 0.00 174.94 176.35 3gr9 s VAL 83 N -1.18 0.09 0.26 2.92 -7.23 -0.67 -0.25 120.40 114.34 3gr9 s VAL 83 Ca 0.26 -1.50 -0.07 0.00 -1.81 0.00 0.00 61.98 58.86 3gr9 s VAL 83 Cb -0.16 -1.83 -0.06 0.00 0.56 0.00 0.00 36.38 34.90 3gr9 s VAL 83 CO 0.14 -0.39 0.55 -2.16 -0.31 0.00 0.00 175.10 172.93 3gr9 s PRO 84 N -3.97 3.71 0.19 4.82 0.04 -1.26 -1.20 135.00 137.32 3gr9 s PRO 84 Ca 0.17 0.13 0.21 0.00 0.04 0.00 0.00 61.00 61.55 3gr9 s PRO 84 Cb 0.05 -2.65 0.88 0.00 0.04 0.00 0.00 34.50 32.82 3gr9 s PRO 84 CO -0.01 0.26 1.64 0.00 0.04 0.00 0.00 177.00 178.93 3gr9 n ALA 85 N -0.54 1.65 -3.97 8.56 0.00 -1.18 -4.59 120.51 120.44 3gr9 n ALA 85 Ca -0.01 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 3gr9 n ALA 85 Cb 0.53 -1.34 -0.16 0.00 0.00 0.00 0.00 19.45 18.47 3gr9 n ALA 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gr9 s VAL 86 N -3.23 1.46 0.00 0.00 1.01 -1.26 -0.77 120.40 117.60 3gr9 s VAL 86 Ca 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3gr9 s VAL 86 Cb 0.09 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.96 3gr9 s VAL 86 CO 0.35 0.24 0.00 -0.24 0.00 0.00 0.00 175.10 175.45 3gr9 n SER 87 N 4.77 0.00 -4.75 3.32 2.88 -1.26 -5.01 113.62 113.57 3gr9 n SER 87 Ca -0.14 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.02 3gr9 n SER 87 Cb 0.48 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.98 3gr9 n SER 87 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3gr9 s TRP 88 N -2.00 2.29 0.23 0.66 -0.11 -1.26 -4.64 118.94 114.11 3gr9 s TRP 88 Ca 0.00 1.45 -0.12 0.00 1.22 0.00 0.00 56.10 58.65 3gr9 s TRP 88 Cb 0.00 -3.67 0.31 0.00 -1.50 0.00 0.00 33.47 28.61 3gr9 s TRP 88 CO 0.00 -2.66 1.60 0.66 -4.62 0.00 0.00 176.95 171.94 3gr9 h SER 89 N 1.10 -0.70 0.00 5.86 4.64 -2.01 -0.45 113.55 121.98 3gr9 h SER 89 Ca -0.51 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3gr9 h SER 89 Cb 1.31 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 3gr9 h SER 89 CO 0.56 -0.25 0.00 0.35 -0.87 0.00 0.00 176.83 176.62 3gr9 n THR 90 N -5.49 0.00 0.06 2.95 -2.24 -1.26 0.14 114.28 108.43 3gr9 n THR 90 Ca 0.10 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.71 3gr9 n THR 90 Cb 0.38 -0.38 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 3gr9 n THR 90 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3gr9 h THR 91 N 0.00 1.13 0.04 4.28 2.02 -1.43 -3.40 112.91 115.56 3gr9 h THR 91 Ca 0.00 -2.78 -0.21 0.00 0.77 0.00 0.00 66.41 64.20 3gr9 h THR 91 Cb 0.00 2.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 3gr9 h THR 91 CO 0.00 0.81 -1.09 1.88 0.37 0.00 0.00 175.52 177.49 3gr9 h TYR 92 N 0.07 0.16 -0.73 3.16 0.05 -0.43 -3.40 116.97 115.85 3gr9 h TYR 92 Ca -0.25 -0.12 0.12 0.00 0.05 0.00 0.00 58.73 58.53 3gr9 h TYR 92 Cb 2.02 -0.01 -0.12 0.00 1.01 0.00 0.00 36.73 39.63 3gr9 h TYR 92 CO 0.06 1.43 -0.27 0.66 -1.05 0.00 0.00 178.16 178.99 3gr9 n TYR 93 N -4.26 0.05 -0.03 4.88 4.01 -1.13 -0.74 117.16 119.93 3gr9 n TYR 93 Ca -0.25 0.90 0.22 0.00 -0.16 0.00 0.00 57.90 58.61 3gr9 n TYR 93 Cb 0.73 -0.79 0.71 0.00 -0.31 0.00 0.00 39.34 39.68 3gr9 n TYR 93 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3gr9 h PRO 94 N 0.00 0.00 -0.28 -0.72 0.11 -1.79 0.32 132.00 129.64 3gr9 h PRO 94 Ca 0.27 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.19 3gr9 h PRO 94 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3gr9 h PRO 94 CO -0.73 0.00 -0.56 -0.07 -0.21 0.00 0.00 178.00 176.43 3gr9 h LEU 95 N 0.00 0.96 -0.34 2.35 3.38 -1.19 -0.87 115.31 119.59 3gr9 h LEU 95 Ca 0.29 -0.52 -0.19 0.00 0.09 0.00 0.00 57.88 57.54 3gr9 h LEU 95 Cb 1.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3gr9 h LEU 95 CO -0.00 1.32 -0.81 -0.61 0.09 0.00 0.00 178.44 178.43 3gr9 h GLN 96 N 0.66 0.32 0.00 1.13 -0.00 -0.76 0.14 115.11 116.60 3gr9 h GLN 96 Ca 0.01 -0.30 -0.08 0.00 -0.00 0.00 0.00 58.65 58.28 3gr9 h GLN 96 Cb 1.17 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.71 3gr9 h GLN 96 CO 0.12 0.97 -0.40 1.96 0.00 0.00 0.00 178.83 181.49 3gr9 h GLN 97 N 0.20 0.00 -0.65 1.69 4.20 -0.19 -2.31 115.11 118.05 3gr9 h GLN 97 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3gr9 h GLN 97 Cb 1.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.18 3gr9 h GLN 97 CO 0.13 0.40 0.00 0.66 -0.67 0.00 0.00 178.83 179.35 3gr9 n TYR 98 N -3.64 1.19 -3.12 2.96 4.02 -0.36 -4.97 117.16 113.25 3gr9 n TYR 98 Ca -0.01 -0.51 -0.23 0.00 -0.01 0.00 0.00 57.90 57.15 3gr9 n TYR 98 Cb 0.50 -0.15 0.04 0.00 -0.02 0.00 0.00 39.34 39.72 3gr9 n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gr9 n GLY 99 N 1.25 -0.53 3.93 2.72 0.00 -0.87 -4.60 105.19 107.09 3gr9 n GLY 99 Ca 0.23 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 3gr9 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gr9 s LEU 100 N -6.80 3.79 -0.29 0.99 1.43 0.01 -1.11 118.68 116.71 3gr9 s LEU 100 Ca 0.35 0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 53.96 3gr9 s LEU 100 Cb -0.16 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 3gr9 s LEU 100 CO 0.44 -0.48 0.26 -0.60 0.23 0.00 0.00 176.35 176.20 3gr9 s ARG 101 N -4.54 3.90 -0.12 1.70 6.06 0.59 -4.52 118.95 122.02 3gr9 s ARG 101 Ca 0.44 -0.25 -0.15 0.00 -2.50 0.00 0.00 55.73 53.27 3gr9 s ARG 101 Cb -0.10 -3.68 -0.05 0.00 0.06 0.00 0.00 34.95 31.18 3gr9 s ARG 101 CO 0.40 -0.26 0.37 0.08 -2.50 0.00 0.00 175.30 173.39 3gr9 s VAL 102 N 1.87 5.23 -0.26 7.11 1.01 0.14 -1.56 120.40 133.94 3gr9 s VAL 102 Ca 0.10 0.72 -0.03 0.00 0.00 0.00 0.00 61.98 62.76 3gr9 s VAL 102 Cb -0.16 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.54 3gr9 s VAL 102 CO 0.11 0.40 -0.02 -0.75 0.00 0.00 0.00 175.10 174.84 3gr9 s LYS 103 N 0.28 2.89 0.30 2.72 2.20 -0.59 0.72 119.74 128.25 3gr9 s LYS 103 Ca 0.21 -0.96 -0.18 0.00 -0.36 0.00 0.00 55.97 54.68 3gr9 s LYS 103 Cb -0.14 -3.11 -0.09 0.00 -1.51 0.00 0.00 37.83 32.98 3gr9 s LYS 103 CO 0.07 -0.42 0.76 -0.06 -0.36 0.00 0.00 175.35 175.34 3gr9 s PHE 104 N 1.37 3.47 -0.06 4.03 0.08 0.17 -1.66 117.98 125.38 3gr9 s PHE 104 Ca 0.01 1.34 -0.01 0.00 0.12 0.00 0.00 56.93 58.38 3gr9 s PHE 104 Cb -0.17 -2.61 0.03 0.00 -0.57 0.00 0.00 43.02 39.70 3gr9 s PHE 104 CO -0.02 0.16 0.01 0.08 -0.10 0.00 0.00 175.22 175.35 3gr9 s VAL 105 N -1.83 0.28 0.39 -0.44 1.01 -0.34 -0.98 120.40 118.49 3gr9 s VAL 105 Ca 0.51 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.39 3gr9 s VAL 105 Cb -0.13 -0.44 -0.12 0.00 0.00 0.00 0.00 36.38 35.70 3gr9 s VAL 105 CO 0.18 0.23 0.81 -0.67 0.00 0.00 0.00 175.10 175.65 3gr9 n ASP 106 N 4.92 0.34 -4.93 3.32 2.03 -1.26 -3.07 116.55 117.91 3gr9 n ASP 106 Ca -0.11 1.01 -0.26 0.00 0.52 0.00 0.00 54.79 55.96 3gr9 n ASP 106 Cb 0.50 -1.23 0.06 0.00 -0.72 0.00 0.00 41.12 39.73 3gr9 n ASP 106 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3gr9 s ILE 107 N -1.30 2.44 -0.19 5.18 -5.25 -1.26 -1.06 121.20 119.76 3gr9 s ILE 107 Ca 0.63 -0.21 -0.16 0.00 -0.99 0.00 0.00 60.65 59.91 3gr9 s ILE 107 Cb -0.62 -3.06 -0.04 0.00 2.95 0.00 0.00 42.46 41.69 3gr9 s ILE 107 CO 0.58 -0.06 0.41 -0.62 -1.79 0.00 0.00 174.94 173.45 3gr9 s ASP 108 N -4.49 6.46 0.45 4.36 -1.08 0.64 -4.30 116.67 118.71 3gr9 s ASP 108 Ca 0.59 0.55 0.31 0.00 -0.52 0.00 0.00 52.55 53.48 3gr9 s ASP 108 Cb -0.11 -2.24 1.63 0.00 -1.46 0.00 0.00 42.92 40.75 3gr9 s ASP 108 CO 0.45 -0.07 1.94 -0.29 0.52 0.00 0.00 175.17 177.72 3gr9 h ILE 109 N 5.00 0.00 0.01 4.11 6.09 -1.94 0.70 117.51 131.48 3gr9 h ILE 109 Ca -0.36 -0.03 -0.29 0.00 -1.37 0.00 0.00 64.86 62.80 3gr9 h ILE 109 Cb 1.16 0.73 -0.04 0.00 0.47 0.00 0.00 36.82 39.14 3gr9 h ILE 109 CO 0.72 0.00 -1.60 0.59 -3.07 0.00 0.00 178.15 174.80 3gr9 n ASN 110 N -2.58 1.91 0.12 2.19 3.02 -1.26 -4.41 115.26 114.24 3gr9 n ASN 110 Ca -0.02 0.37 0.12 0.00 -0.03 0.00 0.00 54.58 55.02 3gr9 n ASN 110 Cb 0.07 -0.92 0.06 0.00 -0.61 0.00 0.00 39.78 38.38 3gr9 n ASN 110 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3gr9 h THR 111 N -0.86 0.00 0.00 3.41 1.35 -1.70 0.37 112.91 115.48 3gr9 h THR 111 Ca -0.43 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3gr9 h THR 111 Cb 1.45 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 3gr9 h THR 111 CO -0.21 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.24 3gr9 n LEU 112 N -2.66 0.26 0.00 3.87 4.77 0.24 -4.74 117.00 118.74 3gr9 n LEU 112 Ca 0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 3gr9 n LEU 112 Cb 0.53 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3gr9 n LEU 112 CO 0.38 -0.14 0.07 0.59 -1.33 0.00 0.00 177.39 176.96 3gr9 n ASN 113 N -0.03 0.26 -4.73 -1.43 3.02 -1.23 -4.68 115.26 106.44 3gr9 n ASN 113 Ca 0.00 -1.20 -0.42 0.00 -0.03 0.00 0.00 54.58 52.93 3gr9 n ASN 113 Cb 0.02 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 3gr9 n ASN 113 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3gr9 s ILE 114 N 0.14 3.17 -0.08 2.41 2.07 -1.26 0.23 121.20 127.88 3gr9 s ILE 114 Ca 0.09 0.92 -0.29 0.00 -1.41 0.00 0.00 60.65 59.96 3gr9 s ILE 114 Cb -0.01 -3.59 -0.06 0.00 0.13 0.00 0.00 42.46 38.93 3gr9 s ILE 114 CO 0.06 0.12 1.86 -0.62 -1.91 0.00 0.00 174.94 174.45 3gr9 s ASP 115 N 0.57 6.32 0.15 4.50 2.15 -0.22 -4.42 116.67 125.72 3gr9 s ASP 115 Ca 0.59 2.22 -0.16 0.00 0.43 0.00 0.00 52.55 55.64 3gr9 s ASP 115 Cb -0.37 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.73 3gr9 s ASP 115 CO 0.36 -1.22 1.76 0.40 -0.17 0.00 0.00 175.17 176.31 3gr9 h ILE 116 N 5.98 1.15 -0.20 4.11 1.08 -1.92 0.83 117.51 128.54 3gr9 h ILE 116 Ca -0.42 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 3gr9 h ILE 116 Cb 1.21 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.59 3gr9 h ILE 116 CO 0.96 0.15 0.07 -0.33 -0.69 0.00 0.00 178.15 178.31 3gr9 h GLU 117 N 0.54 0.30 -0.08 2.37 4.39 -1.98 -1.07 114.58 119.05 3gr9 h GLU 117 Ca 0.15 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.82 3gr9 h GLU 117 Cb 0.03 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 3gr9 h GLU 117 CO -0.02 0.37 -0.14 0.77 -1.16 0.00 0.00 179.01 178.82 3gr9 h SER 118 N 0.16 -0.44 0.02 1.42 0.02 -1.88 -2.64 113.55 110.21 3gr9 h SER 118 Ca 0.06 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3gr9 h SER 118 Cb 0.19 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3gr9 h SER 118 CO -0.00 -0.19 -0.09 0.25 -1.14 0.00 0.00 176.83 175.65 3gr9 h LEU 119 N -0.20 -0.27 -1.19 5.07 5.85 0.10 -1.97 115.31 122.70 3gr9 h LEU 119 Ca 0.08 0.03 0.41 0.00 0.84 0.00 0.00 57.88 59.24 3gr9 h LEU 119 Cb 0.31 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 41.32 3gr9 h LEU 119 CO -0.20 -0.10 0.76 1.17 -0.34 0.00 0.00 178.44 179.74 3gr9 n LYS 120 N -2.96 -0.03 0.08 1.25 4.81 -0.43 0.14 118.16 121.02 3gr9 n LYS 120 Ca -0.01 1.10 0.12 0.00 -0.87 0.00 0.00 58.31 58.65 3gr9 n LYS 120 Cb 0.07 -2.15 0.26 0.00 0.02 0.00 0.00 35.03 33.23 3gr9 n LYS 120 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3gr9 h GLU 121 N 0.00 0.00 0.00 1.64 4.57 -1.01 -3.30 114.58 116.48 3gr9 h GLU 121 Ca 0.77 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.95 3gr9 h GLU 121 Cb 2.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.05 3gr9 h GLU 121 CO -0.42 0.00 -1.02 0.00 -1.18 0.00 0.00 179.01 176.39 3gr9 n ALA 122 N -1.83 4.08 -2.55 2.92 0.00 0.36 -4.86 120.51 118.63 3gr9 n ALA 122 Ca 0.04 -0.51 -0.39 0.00 0.00 0.00 0.00 53.44 52.58 3gr9 n ALA 122 Cb 0.44 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 3gr9 n ALA 122 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gr9 s VAL 123 N -3.09 4.92 0.00 0.00 1.01 -0.68 -4.94 120.40 117.61 3gr9 s VAL 123 Ca 0.06 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.47 3gr9 s VAL 123 Cb 0.16 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3gr9 s VAL 123 CO 0.83 0.33 0.00 0.41 0.00 0.00 0.00 175.10 176.68 3gr9 n THR 124 N 3.18 0.00 -0.12 3.92 -1.04 -1.26 -4.99 114.28 113.98 3gr9 n THR 124 Ca -0.03 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.89 3gr9 n THR 124 Cb 0.51 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.01 3gr9 n THR 124 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3gr9 h ASP 125 N 0.00 0.46 0.78 8.00 3.32 -2.03 -3.01 116.42 123.95 3gr9 h ASP 125 Ca 0.00 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 3gr9 h ASP 125 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3gr9 h ASP 125 CO 0.00 0.40 -0.37 0.77 -1.72 0.00 0.00 179.24 178.33 3gr9 h SER 126 N 0.48 0.00 -1.89 6.45 4.64 -1.98 -3.44 113.55 117.82 3gr9 h SER 126 Ca 0.13 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.86 3gr9 h SER 126 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3gr9 h SER 126 CO -0.02 0.37 1.47 0.41 -0.87 0.00 0.00 176.83 178.18 3gr9 n THR 127 N -3.58 0.35 0.02 2.95 -1.04 -1.14 -4.10 114.28 107.74 3gr9 n THR 127 Ca -0.00 -0.42 0.04 0.00 -2.04 0.00 0.00 64.05 61.63 3gr9 n THR 127 Cb 0.49 -2.43 -0.10 0.00 -1.82 0.00 0.00 70.33 66.47 3gr9 n THR 127 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3gr9 n LYS 128 N 8.60 0.64 -3.50 -2.82 3.00 -0.12 -4.82 118.16 119.14 3gr9 n LYS 128 Ca 0.31 0.05 -0.16 0.00 -0.00 0.00 0.00 58.31 58.52 3gr9 n LYS 128 Cb 0.42 -1.69 -0.05 0.00 0.00 0.00 0.00 35.03 33.71 3gr9 n LYS 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gr9 s ALA 129 N -3.13 -1.65 -0.21 3.14 0.00 -1.08 -1.00 121.76 117.84 3gr9 s ALA 129 Ca -0.05 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.89 3gr9 s ALA 129 Cb 0.10 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.58 3gr9 s ALA 129 CO 0.84 -0.51 -0.15 0.42 0.00 0.00 0.00 175.76 176.36 3gr9 s ILE 130 N -2.13 2.01 -0.78 0.00 1.01 0.12 -0.33 121.20 121.10 3gr9 s ILE 130 Ca -0.07 -1.19 -0.15 0.00 0.00 0.00 0.00 60.65 59.24 3gr9 s ILE 130 Cb -0.00 -1.97 0.18 0.00 0.01 0.00 0.00 42.46 40.68 3gr9 s ILE 130 CO 0.01 0.28 0.77 -0.22 0.00 0.00 0.00 174.94 175.78 3gr9 s LEU 131 N 1.25 6.33 0.56 2.97 2.96 0.65 -1.76 118.68 131.64 3gr9 s LEU 131 Ca -0.01 -2.36 -0.12 0.00 -0.22 0.00 0.00 54.13 51.42 3gr9 s LEU 131 Cb -0.16 -2.24 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 3gr9 s LEU 131 CO -0.09 -0.73 0.98 0.42 -1.32 0.00 0.00 176.35 175.60 3gr9 s THR 132 N 0.93 4.68 -0.06 3.68 -4.23 0.12 -4.38 115.64 116.37 3gr9 s THR 132 Ca 0.17 0.91 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 3gr9 s THR 132 Cb -0.14 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 69.92 3gr9 s THR 132 CO -0.06 -0.93 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.37 3gr9 s VAL 133 N -2.90 0.56 -0.58 2.29 1.01 -1.26 -0.18 120.40 119.33 3gr9 s VAL 133 Ca 0.55 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.22 3gr9 s VAL 133 Cb -0.11 -0.63 0.05 0.00 0.00 0.00 0.00 36.38 35.69 3gr9 s VAL 133 CO 0.44 0.26 0.95 0.20 0.00 0.00 0.00 175.10 176.96 3gr9 s ASN 134 N 1.36 6.29 -0.22 3.32 0.01 -1.06 -4.77 114.94 119.87 3gr9 s ASN 134 Ca -0.04 -0.50 -0.26 0.00 -0.71 0.00 0.00 52.86 51.35 3gr9 s ASN 134 Cb -0.13 -2.43 -0.00 0.00 0.41 0.00 0.00 41.25 39.09 3gr9 s ASN 134 CO -0.03 -1.29 0.90 -0.22 -1.51 0.00 0.00 177.10 174.95 3gr9 s LEU 135 N 4.02 4.11 -1.27 0.60 2.96 -0.90 -4.07 118.68 124.13 3gr9 s LEU 135 Ca 0.29 1.18 -0.02 0.00 -0.22 0.00 0.00 54.13 55.36 3gr9 s LEU 135 Cb -0.13 -3.31 0.00 0.00 0.50 0.00 0.00 46.19 43.25 3gr9 s LEU 135 CO 0.17 -0.53 0.22 0.18 -1.32 0.00 0.00 176.35 175.07 3gr9 n LEU 136 N 5.91 -2.06 0.00 -0.68 4.77 -1.26 -1.65 117.00 122.03 3gr9 n LEU 136 Ca 0.07 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3gr9 n LEU 136 Cb 0.47 -2.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.20 3gr9 n LEU 136 CO 0.49 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3gr9 n GLY 137 N -1.17 3.24 3.65 -0.72 0.00 -0.94 -1.24 105.19 108.02 3gr9 n GLY 137 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3gr9 n GLY 137 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gr9 s ASN 138 N -0.76 7.04 0.51 1.61 2.47 -0.66 -2.73 114.94 122.42 3gr9 s ASN 138 Ca 0.00 1.32 -0.19 0.00 0.42 0.00 0.00 52.86 54.41 3gr9 s ASN 138 Cb 0.00 -2.54 -0.07 0.00 -1.45 0.00 0.00 41.25 37.19 3gr9 s ASN 138 CO 0.00 -0.74 1.03 -2.16 -3.72 0.00 0.00 177.10 171.51 3gr9 s PRO 139 N 3.36 3.74 0.46 0.43 0.04 -1.26 -2.12 135.00 139.65 3gr9 s PRO 139 Ca 0.45 1.24 -0.21 0.00 0.04 0.00 0.00 61.00 62.52 3gr9 s PRO 139 Cb -0.15 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3gr9 s PRO 139 CO 0.09 -0.46 1.04 -0.80 0.04 0.00 0.00 177.00 176.91 3gr9 s ASN 140 N -2.35 6.45 -0.59 6.66 0.01 -1.26 -4.72 114.94 119.14 3gr9 s ASN 140 Ca 0.65 1.96 -0.27 0.00 -0.71 0.00 0.00 52.86 54.48 3gr9 s ASN 140 Cb -0.15 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 38.95 3gr9 s ASN 140 CO 0.25 -0.71 1.63 0.21 -1.51 0.00 0.00 177.10 176.97 3gr9 s ASN 141 N -1.87 5.73 0.40 -1.22 3.84 -1.26 -4.79 114.94 115.77 3gr9 s ASN 141 Ca 0.65 0.27 0.22 0.00 0.21 0.00 0.00 52.86 54.21 3gr9 s ASN 141 Cb -0.18 -2.54 0.67 0.00 -0.55 0.00 0.00 41.25 38.65 3gr9 s ASN 141 CO 0.22 -2.03 1.72 -0.26 -2.79 0.00 0.00 177.10 173.95 3gr9 h PHE 142 N 12.80 0.00 -0.68 0.43 0.04 -1.98 -2.49 116.94 125.06 3gr9 h PHE 142 Ca -0.27 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.42 3gr9 h PHE 142 Cb 1.12 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.25 3gr9 h PHE 142 CO 1.05 0.27 0.13 -0.44 -0.60 0.00 0.00 178.31 178.72 3gr9 h ASP 143 N 0.00 1.07 0.82 2.17 5.19 -1.98 0.32 116.42 124.01 3gr9 h ASP 143 Ca -0.00 -0.25 -0.16 0.00 -0.62 0.00 0.00 57.03 56.00 3gr9 h ASP 143 Cb 0.92 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 3gr9 h ASP 143 CO 0.04 1.05 -0.76 -0.08 -3.12 0.00 0.00 179.24 176.36 3gr9 h GLU 144 N 1.04 0.00 -0.09 3.56 4.57 -1.94 -2.28 114.58 119.44 3gr9 h GLU 144 Ca 0.21 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.32 3gr9 h GLU 144 Cb 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3gr9 h GLU 144 CO 0.01 0.76 -0.21 0.82 -1.18 0.00 0.00 179.01 179.21 3gr9 h ILE 145 N 0.00 1.40 0.00 2.32 2.04 -0.95 -2.59 117.51 119.74 3gr9 h ILE 145 Ca -0.01 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.33 3gr9 h ILE 145 Cb 1.37 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 3gr9 h ILE 145 CO 0.10 0.43 0.05 0.59 0.00 0.00 0.00 178.15 179.33 3gr9 n ASN 146 N -4.53 0.52 0.02 1.72 3.02 0.11 -1.78 115.26 114.34 3gr9 n ASN 146 Ca -0.07 0.73 -0.22 0.00 -0.03 0.00 0.00 54.58 54.98 3gr9 n ASN 146 Cb 0.42 -0.78 -0.14 0.00 -0.61 0.00 0.00 39.78 38.67 3gr9 n ASN 146 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3gr9 h LYS 147 N 0.00 0.27 -0.29 3.52 1.57 -1.02 -1.77 116.57 118.84 3gr9 h LYS 147 Ca 0.00 -0.46 0.06 0.00 -1.87 0.00 0.00 60.65 58.38 3gr9 h LYS 147 Cb 0.11 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3gr9 h LYS 147 CO 0.00 1.22 0.20 0.82 -0.57 0.00 0.00 179.45 181.12 3gr9 h ILE 148 N -0.20 0.92 0.00 1.86 2.04 -1.12 -2.67 117.51 118.35 3gr9 h ILE 148 Ca -0.33 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3gr9 h ILE 148 Cb 1.85 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 3gr9 h ILE 148 CO 0.08 0.02 -0.17 0.40 0.00 0.00 0.00 178.15 178.48 3gr9 h ILE 149 N 0.13 1.65 0.00 -0.67 2.04 -1.46 -3.48 117.51 115.72 3gr9 h ILE 149 Ca 0.13 -2.31 -0.13 0.00 1.00 0.00 0.00 64.86 63.56 3gr9 h ILE 149 Cb 0.36 3.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.63 3gr9 h ILE 149 CO -0.02 0.56 0.23 0.61 0.00 0.00 0.00 178.15 179.54 3gr9 n GLY 150 N 1.59 -0.03 2.44 5.37 0.00 -0.66 -1.32 105.19 112.57 3gr9 n GLY 150 Ca -0.13 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 3gr9 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gr9 n GLY 151 N 1.27 2.74 3.56 -0.02 0.00 -1.26 -5.03 105.19 106.44 3gr9 n GLY 151 Ca 0.10 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 3gr9 n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gr9 s ARG 152 N -2.82 -0.34 -1.46 1.61 0.52 -0.44 -4.87 118.95 111.15 3gr9 s ARG 152 Ca 0.34 0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 56.30 3gr9 s ARG 152 Cb 0.40 -1.62 0.04 0.00 0.52 0.00 0.00 34.95 34.29 3gr9 s ARG 152 CO -0.03 -3.34 2.37 -3.47 0.02 0.00 0.00 175.30 170.85 3gr9 n ASP 153 N -4.65 5.72 -4.16 0.23 2.03 -1.26 -4.89 116.55 109.55 3gr9 n ASP 153 Ca 0.05 -2.85 -0.34 0.00 0.52 0.00 0.00 54.79 52.17 3gr9 n ASP 153 Cb 0.55 -1.57 -0.15 0.00 -0.72 0.00 0.00 41.12 39.22 3gr9 n ASP 153 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gr9 s ILE 154 N 2.03 2.43 0.34 5.18 1.01 -1.26 -4.93 121.20 126.01 3gr9 s ILE 154 Ca 0.52 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 3gr9 s ILE 154 Cb 0.15 -2.10 -0.11 0.00 0.01 0.00 0.00 42.46 40.41 3gr9 s ILE 154 CO -0.07 0.43 1.45 -0.63 0.00 0.00 0.00 174.94 176.13 3gr9 s ILE 155 N 1.32 2.26 -0.16 2.92 1.01 -0.17 -4.83 121.20 123.56 3gr9 s ILE 155 Ca 0.04 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3gr9 s ILE 155 Cb -0.14 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 3gr9 s ILE 155 CO -0.09 0.06 -0.15 -0.22 0.00 0.00 0.00 174.94 174.54 3gr9 s LEU 156 N -1.68 2.49 0.07 2.97 2.96 -1.26 0.16 118.68 124.37 3gr9 s LEU 156 Ca 0.54 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3gr9 s LEU 156 Cb -0.45 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 3gr9 s LEU 156 CO 0.57 0.07 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.86 3gr9 s LEU 157 N 0.88 2.41 -0.05 -0.68 1.43 -0.72 0.22 118.68 122.17 3gr9 s LEU 157 Ca -0.04 -0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 52.23 3gr9 s LEU 157 Cb -0.15 -0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.06 3gr9 s LEU 157 CO -0.01 -0.40 0.02 -1.61 0.23 0.00 0.00 176.35 174.58 3gr9 s GLU 158 N -2.96 0.29 -0.70 1.70 2.02 -1.08 0.11 118.70 118.08 3gr9 s GLU 158 Ca 0.02 0.17 -0.27 0.00 0.02 0.00 0.00 54.97 54.91 3gr9 s GLU 158 Cb -0.00 -0.64 0.04 0.00 0.10 0.00 0.00 34.13 33.62 3gr9 s GLU 158 CO -0.04 -0.24 1.22 0.34 0.02 0.00 0.00 175.26 176.56 3gr9 s ASP 159 N 1.63 6.21 -0.34 -0.19 -1.08 0.74 -2.29 116.67 121.35 3gr9 s ASP 159 Ca -0.01 -0.42 0.09 0.00 -0.52 0.00 0.00 52.55 51.68 3gr9 s ASP 159 Cb -0.13 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.46 3gr9 s ASP 159 CO -0.03 -1.71 1.74 -3.20 0.52 0.00 0.00 175.17 172.48 3gr9 n ASN 160 N 8.96 4.01 0.20 -0.34 5.15 -0.79 -2.56 115.26 129.89 3gr9 n ASN 160 Ca 0.03 -3.41 0.10 0.00 -0.60 0.00 0.00 54.58 50.70 3gr9 n ASN 160 Cb 0.49 -0.73 0.63 0.00 -0.53 0.00 0.00 39.78 39.64 3gr9 n ASN 160 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gr9 n GLU 162 N -4.51 0.35 -1.91 0.00 1.02 -1.26 -4.02 120.64 110.30 3gr9 n GLU 162 Ca -0.00 -0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.90 3gr9 n GLU 162 Cb 0.18 -1.60 0.04 0.00 -0.02 0.00 0.00 31.44 30.04 3gr9 n GLU 162 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3gr9 n SER 163 N -2.04 4.63 -4.74 1.62 7.64 -1.15 -2.21 113.62 117.38 3gr9 n SER 163 Ca 0.01 -3.74 -0.42 0.00 1.01 0.00 0.00 58.87 55.73 3gr9 n SER 163 Cb 0.46 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 3gr9 n SER 163 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3gr9 s MET 164 N -3.57 4.16 0.00 1.43 -2.45 -1.24 -1.94 119.30 115.69 3gr9 s MET 164 Ca 0.50 2.50 0.00 0.00 -1.25 0.00 0.00 55.69 57.44 3gr9 s MET 164 Cb 0.41 -3.06 0.00 0.00 1.25 0.00 0.00 34.83 33.42 3gr9 s MET 164 CO 0.03 -0.60 0.00 0.41 1.05 0.00 0.00 175.02 175.91 3gr9 n GLY 165 N 2.56 0.95 3.81 2.11 0.00 -1.26 -4.82 105.19 108.54 3gr9 n GLY 165 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3gr9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gr9 s ALA 166 N -2.58 2.69 0.01 4.61 0.00 -0.82 -4.68 121.76 120.99 3gr9 s ALA 166 Ca 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 3gr9 s ALA 166 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 3gr9 s ALA 166 CO 0.00 -1.08 0.09 0.95 0.00 0.00 0.00 175.76 175.72 3gr9 s THR 167 N -2.82 0.10 -0.06 0.00 -4.23 -0.54 -1.94 115.64 106.15 3gr9 s THR 167 Ca 0.60 -0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 3gr9 s THR 167 Cb -0.15 -0.49 0.03 0.00 1.34 0.00 0.00 72.50 73.23 3gr9 s THR 167 CO 0.48 -0.45 0.00 0.12 -0.54 0.00 0.00 174.62 174.23 3gr9 s PHE 168 N -1.65 0.61 0.00 3.99 5.36 0.31 -1.08 117.98 125.52 3gr9 s PHE 168 Ca -0.13 -0.13 0.00 0.00 -0.96 0.00 0.00 56.93 55.71 3gr9 s PHE 168 Cb -0.07 -0.74 0.00 0.00 -0.34 0.00 0.00 43.02 41.87 3gr9 s PHE 168 CO -0.00 -0.29 0.00 0.09 -1.46 0.00 0.00 175.22 173.56 3gr9 n ASN 169 N 4.97 -5.06 -1.80 6.13 4.13 -1.26 -1.03 115.26 121.33 3gr9 n ASN 169 Ca -0.10 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.11 3gr9 n ASN 169 Cb 0.50 -2.91 0.02 0.00 -1.54 0.00 0.00 39.78 35.86 3gr9 n ASN 169 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3gr9 n ASN 170 N -0.76 -2.53 -3.84 6.41 2.85 -1.26 -5.05 115.26 111.08 3gr9 n ASN 170 Ca 0.00 -0.18 -0.13 0.00 -0.11 0.00 0.00 54.58 54.16 3gr9 n ASN 170 Cb 0.38 -1.81 -0.14 0.00 1.24 0.00 0.00 39.78 39.46 3gr9 n ASN 170 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 3gr9 s LYS 171 N -3.99 0.06 0.02 1.20 2.36 -0.20 -5.12 119.74 114.08 3gr9 s LYS 171 Ca 0.05 0.12 -0.30 0.00 -2.55 0.00 0.00 55.97 53.28 3gr9 s LYS 171 Cb -0.01 -0.00 -0.04 0.00 -1.05 0.00 0.00 37.83 36.73 3gr9 s LYS 171 CO 0.21 -0.03 1.09 0.00 1.55 0.00 0.00 175.35 178.17 3gr9 s ALA 173 N 1.16 3.03 0.00 0.00 0.00 -0.82 -0.89 121.76 124.25 3gr9 s ALA 173 Ca 0.55 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3gr9 s ALA 173 Cb -0.25 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3gr9 s ALA 173 CO 0.28 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.26 3gr9 n GLY 174 N 0.64 3.24 0.87 0.00 0.00 -1.26 -4.80 105.19 103.89 3gr9 n GLY 174 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 3gr9 n GLY 174 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gr9 n THR 175 N -1.26 0.39 0.04 2.61 -2.24 -0.07 -3.59 114.28 110.16 3gr9 n THR 175 Ca 0.00 -0.56 -0.16 0.00 -2.27 0.00 0.00 64.05 61.06 3gr9 n THR 175 Cb 0.00 0.65 -0.14 0.00 -2.10 0.00 0.00 70.33 68.74 3gr9 n THR 175 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3gr9 h PHE 176 N 3.33 0.36 -3.62 4.78 -1.00 -1.89 -3.48 116.94 115.43 3gr9 h PHE 176 Ca 0.00 -0.27 -0.43 0.00 2.81 0.00 0.00 57.97 60.09 3gr9 h PHE 176 Cb 0.73 -0.01 0.18 0.00 3.61 0.00 0.00 35.95 40.46 3gr9 h PHE 176 CO 0.20 1.37 0.15 0.20 -1.61 0.00 0.00 178.31 178.62 3gr9 s GLY 177 N -5.08 1.57 0.44 -1.45 0.00 -1.26 -4.86 107.32 96.69 3gr9 s GLY 177 Ca -0.10 -0.76 0.24 0.00 0.00 0.00 0.00 44.72 44.11 3gr9 s GLY 177 CO 0.83 0.04 1.82 -2.00 0.00 0.00 0.00 173.10 173.79 3gr9 h LEU 178 N -2.37 0.00 -7.39 0.66 5.85 0.23 -3.43 115.31 108.87 3gr9 h LEU 178 Ca -0.48 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 3gr9 h LEU 178 Cb 1.31 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 42.13 3gr9 h LEU 178 CO 0.42 0.21 -0.21 -0.32 -0.34 0.00 0.00 178.44 178.20 3gr9 s MET 179 N -3.61 0.65 0.01 1.25 1.75 -1.25 -4.58 119.30 113.52 3gr9 s MET 179 Ca 0.01 0.09 0.03 0.00 -1.25 0.00 0.00 55.69 54.56 3gr9 s MET 179 Cb 0.10 0.30 -0.01 0.00 2.84 0.00 0.00 34.83 38.06 3gr9 s MET 179 CO 0.63 -0.16 -0.08 0.20 -0.65 0.00 0.00 175.02 174.96 3gr9 s GLY 180 N -0.84 0.45 0.12 2.11 0.00 -1.16 -2.64 107.32 105.35 3gr9 s GLY 180 Ca -0.09 -0.46 0.07 0.00 0.00 0.00 0.00 44.72 44.24 3gr9 s GLY 180 CO 0.04 -0.43 -0.09 -0.51 0.00 0.00 0.00 173.10 172.11 3gr9 s THR 181 N -0.45 3.38 0.09 0.90 -4.23 -0.97 -1.54 115.64 112.82 3gr9 s THR 181 Ca 0.01 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 3gr9 s THR 181 Cb -0.05 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 3gr9 s THR 181 CO 0.00 0.06 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.71 3gr9 s PHE 182 N -1.33 0.90 -0.07 3.99 0.40 0.21 -1.89 117.98 120.19 3gr9 s PHE 182 Ca 0.22 -0.82 0.03 0.00 -0.60 0.00 0.00 56.93 55.76 3gr9 s PHE 182 Cb -0.11 -0.51 0.01 0.00 0.51 0.00 0.00 43.02 42.92 3gr9 s PHE 182 CO 0.14 -0.11 -0.16 0.45 0.70 0.00 0.00 175.22 176.24 3gr9 s SER 183 N -2.79 2.15 -0.40 1.36 0.15 -1.26 -1.96 113.70 110.95 3gr9 s SER 183 Ca 0.08 -0.37 0.05 0.00 0.70 0.00 0.00 55.95 56.42 3gr9 s SER 183 Cb 0.02 -0.88 0.54 0.00 -1.71 0.00 0.00 66.02 63.99 3gr9 s SER 183 CO -0.03 0.09 1.67 -1.54 1.20 0.00 0.00 173.24 174.63 3gr9 n SER 184 N 3.56 4.01 -4.80 5.45 3.41 0.43 -4.73 113.62 120.96 3gr9 n SER 184 Ca -0.21 -3.74 -0.35 0.00 -0.26 0.00 0.00 58.87 54.32 3gr9 n SER 184 Cb 0.52 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 3gr9 n SER 184 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gr9 s PHE 185 N -3.41 3.13 0.12 7.33 5.36 -1.25 0.42 117.98 129.68 3gr9 s PHE 185 Ca 0.52 1.60 -0.12 0.00 -0.96 0.00 0.00 56.93 57.98 3gr9 s PHE 185 Cb 0.45 -3.04 0.09 0.00 -0.34 0.00 0.00 43.02 40.17 3gr9 s PHE 185 CO 0.03 -0.64 0.85 0.98 -1.46 0.00 0.00 175.22 174.99 3gr9 n TYR 186 N -0.65 -0.06 0.57 10.12 9.36 -1.20 -4.57 117.16 130.73 3gr9 n TYR 186 Ca 0.08 0.68 0.00 0.00 3.32 0.00 0.00 57.90 61.98 3gr9 n TYR 186 Cb 0.52 -0.66 0.00 0.00 -0.63 0.00 0.00 39.34 38.57 3gr9 n TYR 186 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3gr9 n ASN 187 N -4.78 1.62 0.06 2.98 0.23 -1.26 -4.73 115.26 109.38 3gr9 n ASN 187 Ca 0.04 -1.15 -0.20 0.00 -0.53 0.00 0.00 54.58 52.74 3gr9 n ASN 187 Cb 0.20 -0.29 -0.11 0.00 -2.08 0.00 0.00 39.78 37.51 3gr9 n ASN 187 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 3gr9 h HIS 189 N 0.81 1.00 -3.74 -2.53 3.86 -1.84 -3.49 115.15 109.22 3gr9 h HIS 189 Ca 0.00 -0.56 -0.28 0.00 -1.16 0.00 0.00 60.37 58.37 3gr9 h HIS 189 Cb 0.55 -0.10 -0.17 0.00 1.06 0.00 0.00 27.41 28.75 3gr9 h HIS 189 CO 0.00 1.40 -0.72 0.96 0.86 0.00 0.00 177.93 180.44 3gr9 s ILE 190 N -3.23 0.84 -0.11 2.45 -4.36 -1.26 -5.00 121.20 110.53 3gr9 s ILE 190 Ca -0.09 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 3gr9 s ILE 190 Cb 0.07 -1.47 0.02 0.00 1.25 0.00 0.00 42.46 42.33 3gr9 s ILE 190 CO 0.92 -0.69 -0.10 0.00 0.24 0.00 0.00 174.94 175.32 3gr9 s ALA 191 N -2.90 1.40 -0.25 2.27 0.00 -1.26 -4.19 121.76 116.83 3gr9 s ALA 191 Ca 0.08 -0.58 0.10 0.00 0.00 0.00 0.00 51.96 51.57 3gr9 s ALA 191 Cb 0.00 -0.85 0.45 0.00 0.00 0.00 0.00 23.12 22.72 3gr9 s ALA 191 CO -0.02 -0.28 1.19 0.25 0.00 0.00 0.00 175.76 176.91 3gr9 n THR 192 N 4.63 2.21 0.00 0.00 -2.24 0.17 -4.80 114.28 114.25 3gr9 n THR 192 Ca -0.16 -3.63 0.00 0.00 -2.27 0.00 0.00 64.05 57.99 3gr9 n THR 192 Cb 0.50 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3gr9 n THR 192 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3gr9 n MET 193 N -0.79 0.00 -4.26 -0.78 2.81 -1.25 -4.51 117.12 108.35 3gr9 n MET 193 Ca 0.31 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.98 3gr9 n MET 193 Cb 0.87 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 33.26 3gr9 n MET 193 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gr9 s GLU 194 N 0.00 1.05 0.00 0.03 0.41 -1.26 -3.26 118.70 115.67 3gr9 s GLU 194 Ca 0.00 -1.13 0.00 0.00 -0.41 0.00 0.00 54.97 53.43 3gr9 s GLU 194 Cb 0.00 -1.20 0.00 0.00 -1.78 0.00 0.00 34.13 31.15 3gr9 s GLU 194 CO 0.00 0.27 0.00 0.41 -0.49 0.00 0.00 175.26 175.45 3gr9 n GLY 195 N 1.03 1.88 3.33 -1.39 0.00 -0.96 -4.89 105.19 104.20 3gr9 n GLY 195 Ca -0.19 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 3gr9 n GLY 195 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gr9 s GLY 196 N 0.00 -0.32 -0.10 -0.02 0.00 -0.46 0.16 107.32 106.58 3gr9 s GLY 196 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 44.72 44.67 3gr9 s GLY 196 CO 0.00 -0.22 0.28 0.00 0.00 0.00 0.00 173.10 173.17 3gr9 s ILE 198 N 0.08 2.68 0.36 0.00 1.01 0.11 -0.62 121.20 124.83 3gr9 s ILE 198 Ca -0.01 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.97 3gr9 s ILE 198 Cb -0.02 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3gr9 s ILE 198 CO 0.01 0.50 0.31 0.68 0.00 0.00 0.00 174.94 176.44 3gr9 s VAL 199 N 1.09 3.20 -0.21 2.92 -7.23 -0.59 0.58 120.40 120.16 3gr9 s VAL 199 Ca -0.00 -1.38 -0.36 0.00 -1.81 0.00 0.00 61.98 58.43 3gr9 s VAL 199 Cb -0.14 -3.11 0.14 0.00 0.56 0.00 0.00 36.38 33.83 3gr9 s VAL 199 CO -0.04 -0.12 1.24 0.28 -0.31 0.00 0.00 175.10 176.15 3gr9 s THR 200 N -2.37 0.00 -0.27 5.32 -1.32 0.31 -3.01 115.64 114.30 3gr9 s THR 200 Ca 0.43 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.94 3gr9 s THR 200 Cb -0.05 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.95 3gr9 s THR 200 CO 0.27 0.00 0.45 0.47 -2.21 0.00 0.00 174.62 173.60 3gr9 n ASP 201 N -0.06 0.92 -4.60 8.08 8.00 -1.26 0.16 116.55 127.79 3gr9 n ASP 201 Ca 0.01 -0.96 -0.43 0.00 0.71 0.00 0.00 54.79 54.13 3gr9 n ASP 201 Cb 0.58 0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 41.91 3gr9 n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gr9 s ASP 202 N -0.49 6.66 0.12 -2.24 -1.08 -1.26 -4.85 116.67 113.53 3gr9 s ASP 202 Ca 0.02 0.54 -0.22 0.00 -0.52 0.00 0.00 52.55 52.37 3gr9 s ASP 202 Cb 0.02 -2.46 -0.07 0.00 -1.46 0.00 0.00 42.92 38.95 3gr9 s ASP 202 CO 0.05 -0.87 1.70 -0.08 0.52 0.00 0.00 175.17 176.49 3gr9 h GLU 203 N 8.53 -0.11 -0.60 4.34 4.81 -1.99 0.68 114.58 130.23 3gr9 h GLU 203 Ca -0.23 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.03 3gr9 h GLU 203 Cb 1.08 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3gr9 h GLU 203 CO 0.98 -0.08 0.37 1.49 -0.73 0.00 0.00 179.01 181.05 3gr9 h GLU 204 N -0.12 0.71 -0.60 1.92 4.81 -1.93 -1.95 114.58 117.42 3gr9 h GLU 204 Ca 0.06 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3gr9 h GLU 204 Cb 0.20 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3gr9 h GLU 204 CO -0.14 0.47 0.23 0.82 -0.73 0.00 0.00 179.01 179.66 3gr9 h ILE 205 N 0.73 1.23 -0.22 2.32 1.08 -1.93 -2.15 117.51 118.57 3gr9 h ILE 205 Ca 0.24 -0.73 0.06 0.00 -0.39 0.00 0.00 64.86 64.04 3gr9 h ILE 205 Cb 0.02 0.58 -0.07 0.00 -3.07 0.00 0.00 36.82 34.28 3gr9 h ILE 205 CO -0.10 0.29 -0.34 0.22 -0.69 0.00 0.00 178.15 177.53 3gr9 h TYR 206 N 0.84 -0.94 -0.32 1.37 3.20 -0.27 -1.57 116.97 119.29 3gr9 h TYR 206 Ca 0.20 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 3gr9 h TYR 206 Cb 0.22 0.44 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 3gr9 h TYR 206 CO 0.01 -0.40 0.00 0.45 -1.64 0.00 0.00 178.16 176.58 3gr9 h HIS 207 N -0.36 0.50 -0.28 -3.82 3.86 -1.24 -1.91 115.15 111.91 3gr9 h HIS 207 Ca 0.12 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 3gr9 h HIS 207 Cb 0.55 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 3gr9 h HIS 207 CO -0.46 0.50 -0.13 0.82 0.86 0.00 0.00 177.93 179.51 3gr9 h ILE 208 N 0.47 1.23 0.61 2.45 2.04 -0.73 -2.26 117.51 121.32 3gr9 h ILE 208 Ca 0.10 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 3gr9 h ILE 208 Cb 0.30 1.17 0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3gr9 h ILE 208 CO 0.01 0.33 -0.29 -0.07 0.00 0.00 0.00 178.15 178.12 3gr9 h LEU 209 N 0.43 -0.70 -0.98 1.44 3.38 -0.65 0.11 115.31 118.34 3gr9 h LEU 209 Ca 0.08 -0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.30 3gr9 h LEU 209 Cb 0.49 0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 3gr9 h LEU 209 CO 0.03 -0.37 0.53 -0.07 0.09 0.00 0.00 178.44 178.65 3gr9 h LEU 210 N -1.03 0.50 0.01 1.67 3.38 -1.25 0.18 115.31 118.76 3gr9 h LEU 210 Ca -0.08 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gr9 h LEU 210 Cb 0.68 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3gr9 h LEU 210 CO 0.14 -0.04 -0.01 0.00 0.09 0.00 0.00 178.44 178.62 3gr9 h ILE 212 N -0.73 0.00 0.00 0.00 3.07 0.90 -1.98 117.51 118.77 3gr9 h ILE 212 Ca -0.00 -0.48 -0.09 0.00 1.55 0.00 0.00 64.86 65.84 3gr9 h ILE 212 Cb 0.70 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 3gr9 h ILE 212 CO 0.00 0.00 -0.41 -0.09 -1.05 0.00 0.00 178.15 176.60 3gr9 h ARG 213 N 0.00 0.00 -2.83 0.16 2.43 -0.85 -2.16 114.38 111.13 3gr9 h ARG 213 Ca 0.00 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.57 3gr9 h ARG 213 Cb 0.63 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.78 3gr9 h ARG 213 CO 0.00 0.41 -0.78 0.00 -1.51 0.00 0.00 179.97 178.09 3gr9 s ALA 214 N -3.82 1.91 0.00 2.80 0.00 -1.17 0.98 121.76 122.45 3gr9 s ALA 214 Ca -0.01 -2.50 0.00 0.00 0.00 0.00 0.00 51.96 49.45 3gr9 s ALA 214 Cb 0.13 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.44 3gr9 s ALA 214 CO 0.71 -2.07 0.00 0.72 0.00 0.00 0.00 175.76 175.12 3gr9 n HIS 215 N 3.46 0.00 -1.58 0.00 8.25 0.41 -3.39 115.22 122.37 3gr9 n HIS 215 Ca 0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.47 3gr9 n HIS 215 Cb 0.37 -0.91 -0.04 0.00 1.12 0.00 0.00 29.99 30.52 3gr9 n HIS 215 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gr9 n GLY 216 N -2.00 0.92 2.03 -1.41 0.00 -0.75 -4.64 105.19 99.34 3gr9 n GLY 216 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 3gr9 n GLY 216 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3gr9 n TRP 217 N -3.02 -3.24 0.46 1.61 2.14 -1.22 0.53 117.44 114.70 3gr9 n TRP 217 Ca -0.13 -0.89 0.05 0.00 2.07 0.00 0.00 57.50 58.60 3gr9 n TRP 217 Cb 0.45 -0.40 -0.05 0.00 -0.81 0.00 0.00 31.31 30.50 3gr9 n TRP 217 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3gr9 n THR 218 N -2.24 0.00 0.33 -1.67 -2.24 -1.23 -4.73 114.28 102.50 3gr9 n THR 218 Ca 0.09 -0.27 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 3gr9 n THR 218 Cb 0.31 1.00 0.72 0.00 -2.10 0.00 0.00 70.33 70.26 3gr9 n THR 218 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3gr9 h ARG 219 N 0.01 0.00 -0.48 -0.78 3.08 -1.89 0.55 114.38 114.86 3gr9 h ARG 219 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gr9 h ARG 219 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3gr9 h ARG 219 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 3gr9 n ASN 220 N -2.83 3.28 -4.92 7.04 4.13 -1.26 -4.95 115.26 115.76 3gr9 n ASN 220 Ca -0.02 -1.99 -0.28 0.00 1.68 0.00 0.00 54.58 53.97 3gr9 n ASN 220 Cb 0.45 -0.32 -0.03 0.00 -1.54 0.00 0.00 39.78 38.34 3gr9 n ASN 220 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3gr9 s LEU 221 N -1.01 4.10 0.53 3.41 1.43 0.19 -4.95 118.68 122.39 3gr9 s LEU 221 Ca 0.32 0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 53.91 3gr9 s LEU 221 Cb 0.17 -3.39 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 3gr9 s LEU 221 CO 0.22 -0.16 0.91 -2.16 0.23 0.00 0.00 176.35 175.38 3gr9 s PRO 222 N -3.59 3.64 0.27 1.29 0.04 -1.26 -4.98 135.00 130.40 3gr9 s PRO 222 Ca 0.42 0.54 -0.04 0.00 0.04 0.00 0.00 61.00 61.96 3gr9 s PRO 222 Cb -0.11 -2.23 0.55 0.00 0.04 0.00 0.00 34.50 32.76 3gr9 s PRO 222 CO 0.31 -0.35 1.63 -0.22 0.04 0.00 0.00 177.00 178.41 3gr9 h LYS 223 N 0.19 0.11 -5.13 4.56 1.63 -1.94 -3.32 116.57 112.66 3gr9 h LYS 223 Ca -0.46 -0.01 -0.66 0.00 -0.85 0.00 0.00 60.65 58.68 3gr9 h LYS 223 Cb 1.19 -0.02 -0.29 0.00 -0.60 0.00 0.00 32.23 32.51 3gr9 h LYS 223 CO 0.62 0.07 -0.77 0.21 -3.45 0.00 0.00 179.45 176.13 3gr9 s LYS 224 N -6.06 3.28 0.22 1.90 2.20 -1.25 0.18 119.74 120.22 3gr9 s LYS 224 Ca -0.13 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 3gr9 s LYS 224 Cb 0.24 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.76 3gr9 s LYS 224 CO 0.76 -0.05 0.12 0.54 -0.36 0.00 0.00 175.35 176.37 3gr9 s ASN 225 N 1.02 0.54 0.00 1.43 2.20 0.20 -4.98 114.94 115.35 3gr9 s ASN 225 Ca -0.01 -1.40 0.20 0.00 -0.94 0.00 0.00 52.86 50.71 3gr9 s ASN 225 Cb -0.15 0.32 1.14 0.00 -2.00 0.00 0.00 41.25 40.57 3gr9 s ASN 225 CO -0.02 -0.81 1.74 0.29 -2.94 0.00 0.00 177.10 175.36 3gr9 n LYS 226 N -0.35 1.04 -0.02 3.55 4.01 -1.26 -2.71 118.16 122.42 3gr9 n LYS 226 Ca 0.02 -0.06 -0.06 0.00 -0.51 0.00 0.00 58.31 57.70 3gr9 n LYS 226 Cb 0.66 -1.31 -0.02 0.00 -0.51 0.00 0.00 35.03 33.85 3gr9 n LYS 226 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3gr9 n VAL 227 N -0.74 1.29 0.78 -0.18 0.31 -1.26 -4.84 118.33 113.69 3gr9 n VAL 227 Ca 0.15 0.22 0.11 0.00 -0.01 0.00 0.00 64.34 64.81 3gr9 n VAL 227 Cb 0.08 -1.93 -0.03 0.00 -0.91 0.00 0.00 33.84 31.06 3gr9 n VAL 227 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3gr9 n THR 228 N -3.93 0.05 0.00 2.52 -2.24 -1.26 -5.05 114.28 104.37 3gr9 n THR 228 Ca -0.09 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3gr9 n THR 228 Cb 0.31 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3gr9 n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gr9 n GLY 229 N 1.44 1.29 3.15 3.38 0.00 -1.10 -4.83 105.19 108.52 3gr9 n GLY 229 Ca 0.03 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3gr9 n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gr9 s VAL 230 N 0.00 2.29 0.44 1.61 1.01 -1.25 0.60 120.40 125.09 3gr9 s VAL 230 Ca 0.00 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 3gr9 s VAL 230 Cb 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 36.38 34.28 3gr9 s VAL 230 CO 0.00 0.46 1.37 -0.54 0.00 0.00 0.00 175.10 176.39 3gr9 s LYS 231 N 1.30 3.76 0.37 2.72 1.02 0.13 -5.00 119.74 124.03 3gr9 s LYS 231 Ca 0.04 2.30 -0.24 0.00 0.02 0.00 0.00 55.97 58.09 3gr9 s LYS 231 Cb -0.14 -2.66 -0.10 0.00 -0.52 0.00 0.00 37.83 34.41 3gr9 s LYS 231 CO -0.11 -0.72 0.95 0.45 -0.92 0.00 0.00 175.35 175.01 3gr9 s SER 232 N -0.64 7.17 0.32 2.83 0.15 -1.26 -4.96 113.70 117.31 3gr9 s SER 232 Ca 0.60 1.78 0.26 0.00 0.70 0.00 0.00 55.95 59.29 3gr9 s SER 232 Cb -0.41 -2.56 0.76 0.00 -1.71 0.00 0.00 66.02 62.09 3gr9 s SER 232 CO 0.53 -0.19 1.74 0.44 1.20 0.00 0.00 173.24 176.95 3gr9 h ASP 233 N 2.66 0.00 -1.04 5.45 3.32 -2.01 -3.41 116.42 121.39 3gr9 h ASP 233 Ca -0.48 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 55.89 3gr9 h ASP 233 Cb 1.19 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.64 3gr9 h ASP 233 CO 0.63 0.00 2.06 -0.62 -1.72 0.00 0.00 179.24 179.60 3gr9 s ASP 234 N -5.11 6.85 0.65 6.45 -1.08 -1.26 -4.84 116.67 118.33 3gr9 s ASP 234 Ca 0.08 -2.46 0.13 0.00 -0.52 0.00 0.00 52.55 49.78 3gr9 s ASP 234 Cb 0.09 -2.56 0.62 0.00 -1.46 0.00 0.00 42.92 39.61 3gr9 s ASP 234 CO 0.58 -1.14 1.31 1.56 0.52 0.00 0.00 175.17 178.01 3gr9 h GLN 235 N 7.65 0.00 0.00 4.34 7.50 -1.94 1.65 115.11 134.30 3gr9 h GLN 235 Ca 0.42 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.57 3gr9 h GLN 235 Cb 0.88 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.41 3gr9 h GLN 235 CO 1.43 0.00 0.00 0.35 -1.50 0.00 0.00 178.83 179.11 3gr9 h PHE 236 N 0.00 0.00 0.00 2.96 3.57 -1.97 -2.75 116.94 118.75 3gr9 h PHE 236 Ca 0.11 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3gr9 h PHE 236 Cb 1.84 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.57 3gr9 h PHE 236 CO 0.00 0.00 -1.21 -1.91 -2.23 0.00 0.00 178.31 172.96 3gr9 n GLU 237 N -2.35 0.08 0.29 1.11 4.07 0.54 -4.68 120.64 119.70 3gr9 n GLU 237 Ca 0.02 0.03 0.17 0.00 -0.06 0.00 0.00 57.16 57.32 3gr9 n GLU 237 Cb 0.26 -0.67 0.88 0.00 -0.06 0.00 0.00 31.44 31.86 3gr9 n GLU 237 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3gr9 h GLU 238 N -0.12 0.00 0.00 5.31 4.57 -0.91 -2.43 114.58 121.00 3gr9 h GLU 238 Ca -0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3gr9 h GLU 238 Cb 1.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3gr9 h GLU 238 CO -0.05 0.05 0.00 0.43 -1.18 0.00 0.00 179.01 178.26 3gr9 n SER 239 N -3.41 0.83 -2.55 1.04 7.64 -1.04 -3.89 113.62 112.24 3gr9 n SER 239 Ca -0.02 0.58 -0.20 0.00 1.01 0.00 0.00 58.87 60.24 3gr9 n SER 239 Cb 0.19 -0.80 0.01 0.00 -1.01 0.00 0.00 64.21 62.60 3gr9 n SER 239 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3gr9 n PHE 240 N -2.27 2.52 -4.49 1.43 3.01 -0.92 -4.86 117.46 111.88 3gr9 n PHE 240 Ca 0.06 -2.97 -0.33 0.00 1.01 0.00 0.00 57.45 55.21 3gr9 n PHE 240 Cb 0.43 -0.20 -0.15 0.00 -0.01 0.00 0.00 39.48 39.55 3gr9 n PHE 240 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3gr9 s LYS 241 N -3.38 3.31 -0.21 -1.08 2.20 -1.22 -5.01 119.74 114.35 3gr9 s LYS 241 Ca 0.40 -0.70 -0.02 0.00 -0.36 0.00 0.00 55.97 55.29 3gr9 s LYS 241 Cb 0.42 -2.70 0.01 0.00 -1.51 0.00 0.00 37.83 34.05 3gr9 s LYS 241 CO -0.10 0.05 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.78 3gr9 s PHE 242 N 0.76 2.91 -0.35 4.03 0.08 -1.26 -3.47 117.98 120.68 3gr9 s PHE 242 Ca -0.05 -1.29 0.08 0.00 0.12 0.00 0.00 56.93 55.78 3gr9 s PHE 242 Cb -0.15 -2.03 -0.09 0.00 -0.57 0.00 0.00 43.02 40.18 3gr9 s PHE 242 CO 0.01 -0.67 0.33 1.33 -0.10 0.00 0.00 175.22 176.11 3gr9 n VAL 243 N 4.71 0.00 -3.69 -0.44 0.24 0.19 -4.98 118.33 114.35 3gr9 n VAL 243 Ca -0.19 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.67 3gr9 n VAL 243 Cb 0.50 0.97 -0.09 0.00 -1.47 0.00 0.00 33.84 33.76 3gr9 n VAL 243 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gr9 s LEU 244 N -2.41 -0.06 -0.54 1.34 1.43 -1.19 -5.09 118.68 112.17 3gr9 s LEU 244 Ca 0.03 1.07 -0.27 0.00 -1.03 0.00 0.00 54.13 53.93 3gr9 s LEU 244 Cb 0.06 1.81 -0.01 0.00 0.03 0.00 0.00 46.19 48.08 3gr9 s LEU 244 CO 0.32 -0.19 1.76 -2.16 0.23 0.00 0.00 176.35 176.32 3gr9 s PRO 245 N 0.38 2.91 0.00 1.29 0.05 -1.26 -3.89 135.00 134.49 3gr9 s PRO 245 Ca -0.01 0.77 0.00 0.00 0.05 0.00 0.00 61.00 61.82 3gr9 s PRO 245 Cb -0.04 -4.30 0.00 0.00 0.05 0.00 0.00 34.50 30.22 3gr9 s PRO 245 CO -0.01 -2.38 0.00 0.41 0.05 0.00 0.00 177.00 175.07 3gr9 n GLY 246 N 5.55 4.14 3.41 0.56 0.00 -1.26 -4.97 105.19 112.62 3gr9 n GLY 246 Ca 0.20 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 3gr9 n GLY 246 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gr9 s TYR 247 N 2.67 0.90 -0.96 1.61 2.02 -0.81 -4.89 117.35 117.89 3gr9 s TYR 247 Ca 0.00 -1.15 -0.06 0.00 -0.37 0.00 0.00 57.07 55.49 3gr9 s TYR 247 Cb 0.00 -0.20 0.24 0.00 -0.40 0.00 0.00 41.96 41.60 3gr9 s TYR 247 CO 0.00 -0.89 0.89 1.21 -1.57 0.00 0.00 175.55 175.19 3gr9 s ASN 248 N -3.14 6.54 -0.24 2.29 3.84 -1.26 -0.44 114.94 122.52 3gr9 s ASN 248 Ca 0.31 -3.56 0.14 0.00 0.21 0.00 0.00 52.86 49.96 3gr9 s ASN 248 Cb 0.02 -2.05 0.74 0.00 -0.55 0.00 0.00 41.25 39.42 3gr9 s ASN 248 CO 0.14 -0.26 1.68 1.33 -2.79 0.00 0.00 177.10 177.20 3gr9 n VAL 249 N 2.64 2.69 -1.63 -5.21 0.24 0.27 -5.00 118.33 112.33 3gr9 n VAL 249 Ca 0.21 -1.59 -0.45 0.00 -2.04 0.00 0.00 64.34 60.48 3gr9 n VAL 249 Cb 0.39 -0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 32.45 3gr9 n VAL 249 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3gr9 n ARG 250 N 0.20 1.68 -2.35 7.34 1.74 -1.21 -0.50 116.66 123.55 3gr9 n ARG 250 Ca 0.28 0.59 -0.24 0.00 -0.77 0.00 0.00 57.85 57.71 3gr9 n ARG 250 Cb 1.16 -2.11 0.06 0.00 -1.02 0.00 0.00 32.46 30.55 3gr9 n ARG 250 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3gr9 s PRO 251 N -1.11 2.30 -0.12 5.56 0.02 -1.26 -4.21 135.00 136.17 3gr9 s PRO 251 Ca 0.63 -0.45 -0.06 0.00 0.02 0.00 0.00 61.00 61.14 3gr9 s PRO 251 Cb -0.68 -2.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.52 3gr9 s PRO 251 CO 0.56 -1.07 0.12 -0.51 -0.33 0.00 0.00 177.00 175.77 3gr9 s LEU 252 N -5.08 4.24 0.22 -5.54 1.43 -1.26 -3.65 118.68 109.03 3gr9 s LEU 252 Ca 0.59 0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 53.99 3gr9 s LEU 252 Cb -0.10 -2.03 0.32 0.00 0.03 0.00 0.00 46.19 44.40 3gr9 s LEU 252 CO 0.43 0.39 1.32 1.21 0.23 0.00 0.00 176.35 179.92 3gr9 n GLU 253 N 2.13 -0.12 -0.28 1.70 4.07 -0.58 0.29 120.64 127.84 3gr9 n GLU 253 Ca -0.19 1.32 0.08 0.00 -0.06 0.00 0.00 57.16 58.30 3gr9 n GLU 253 Cb 0.55 -1.96 0.21 0.00 -0.06 0.00 0.00 31.44 30.17 3gr9 n GLU 253 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 3gr9 h MET 254 N 0.00 0.12 -0.61 5.31 2.86 -1.92 0.23 114.93 120.92 3gr9 h MET 254 Ca 0.36 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.95 3gr9 h MET 254 Cb 0.58 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 3gr9 h MET 254 CO -0.86 0.08 0.21 0.77 1.06 0.00 0.00 176.91 178.17 3gr9 h SER 255 N 0.13 0.87 0.27 1.22 0.02 -0.43 0.12 113.55 115.75 3gr9 h SER 255 Ca 0.47 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3gr9 h SER 255 Cb 0.88 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 3gr9 h SER 255 CO -0.69 0.83 -0.30 1.23 -1.14 0.00 0.00 176.83 176.76 3gr9 h GLY 256 N 0.86 -0.67 1.15 -3.77 0.00 -0.39 0.44 103.07 100.69 3gr9 h GLY 256 Ca 0.20 0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.91 3gr9 h GLY 256 CO -0.01 -0.26 0.49 0.00 0.00 0.00 0.00 176.54 176.76 3gr9 h ALA 257 N -0.03 1.58 -0.31 3.60 0.00 -0.57 -2.29 119.26 121.24 3gr9 h ALA 257 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3gr9 h ALA 257 Cb 0.57 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3gr9 h ALA 257 CO -0.08 0.34 -0.46 0.82 0.00 0.00 0.00 179.25 179.88 3gr9 h ILE 258 N 0.89 1.28 -0.46 0.00 2.04 0.66 -3.22 117.51 118.71 3gr9 h ILE 258 Ca 0.30 -1.65 0.08 0.00 1.00 0.00 0.00 64.86 64.59 3gr9 h ILE 258 Cb 0.07 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.61 3gr9 h ILE 258 CO -0.09 0.54 0.05 1.23 0.00 0.00 0.00 178.15 179.88 3gr9 h GLY 259 N 0.83 0.51 0.03 5.37 0.00 0.35 -0.45 103.07 109.72 3gr9 h GLY 259 Ca 0.04 0.02 0.16 0.00 0.00 0.00 0.00 47.33 47.54 3gr9 h GLY 259 CO 0.10 -0.09 0.26 -2.22 0.00 0.00 0.00 176.54 174.60 3gr9 h ILE 260 N 0.17 0.59 0.43 2.60 5.03 -1.46 0.35 117.51 125.21 3gr9 h ILE 260 Ca 0.23 -0.13 -0.02 0.00 -0.12 0.00 0.00 64.86 64.82 3gr9 h ILE 260 Cb 0.32 0.18 0.00 0.00 -3.03 0.00 0.00 36.82 34.29 3gr9 h ILE 260 CO -0.34 0.07 -0.21 -0.33 -0.68 0.00 0.00 178.15 176.66 3gr9 h GLU 261 N 0.37 -0.56 -1.09 2.37 4.39 -1.45 -3.16 114.58 115.46 3gr9 h GLU 261 Ca 0.43 0.04 0.31 0.00 0.34 0.00 0.00 59.36 60.48 3gr9 h GLU 261 Cb 0.70 0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 29.36 3gr9 h GLU 261 CO -0.45 -0.37 0.68 1.96 -1.16 0.00 0.00 179.01 179.66 3gr9 h GLN 262 N -0.85 0.33 0.00 2.33 1.08 -0.34 1.47 115.11 119.13 3gr9 h GLN 262 Ca -0.06 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3gr9 h GLN 262 Cb 0.44 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3gr9 h GLN 262 CO 0.10 0.22 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.11 3gr9 h LEU 263 N 0.34 0.00 0.04 1.46 3.38 -0.31 -1.29 115.31 118.92 3gr9 h LEU 263 Ca 0.68 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.41 3gr9 h LEU 263 Cb 1.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 3gr9 h LEU 263 CO -0.41 0.01 -1.16 0.11 0.09 0.00 0.00 178.44 177.08 3gr9 h LYS 264 N 0.00 0.09 0.00 1.13 1.57 0.21 -3.25 116.57 116.32 3gr9 h LYS 264 Ca -0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3gr9 h LYS 264 Cb 0.05 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3gr9 h LYS 264 CO 0.00 1.02 -0.28 1.63 -0.57 0.00 0.00 179.45 181.25 3gr9 n LYS 265 N -3.38 0.07 -0.30 3.15 5.02 -0.58 -4.38 118.16 117.77 3gr9 n LYS 265 Ca -0.05 0.04 -0.03 0.00 -2.02 0.00 0.00 58.31 56.25 3gr9 n LYS 265 Cb 0.98 -1.56 0.02 0.00 -0.02 0.00 0.00 35.03 34.45 3gr9 n LYS 265 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3gr9 h LEU 266 N 0.00 -1.33 -0.31 -0.35 5.85 -1.35 -0.83 115.31 116.99 3gr9 h LEU 266 Ca 0.00 0.27 0.07 0.00 0.84 0.00 0.00 57.88 59.06 3gr9 h LEU 266 Cb 0.56 0.68 -0.08 0.00 0.37 0.00 0.00 40.66 42.19 3gr9 h LEU 266 CO 0.00 -0.30 -0.23 1.55 -0.34 0.00 0.00 178.44 179.13 3gr9 h PRO 267 N -0.08 -0.19 0.00 5.25 0.13 -1.82 0.28 132.00 135.58 3gr9 h PRO 267 Ca 0.29 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.40 3gr9 h PRO 267 Cb 0.57 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 3gr9 h PRO 267 CO -0.84 -0.13 -0.15 0.07 -0.23 0.00 0.00 178.00 176.73 3gr9 h ARG 268 N -0.20 0.00 0.44 0.86 0.11 -1.78 0.13 114.38 113.94 3gr9 h ARG 268 Ca 0.16 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.22 3gr9 h ARG 268 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 3gr9 h ARG 268 CO -0.43 0.15 -0.21 0.74 0.10 0.00 0.00 179.97 180.32 3gr9 h PHE 269 N 0.00 -0.54 -0.64 4.08 0.04 0.33 -1.32 116.94 118.89 3gr9 h PHE 269 Ca -0.00 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.77 3gr9 h PHE 269 Cb 0.66 0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.96 3gr9 h PHE 269 CO 0.00 -0.23 0.42 0.82 -0.60 0.00 0.00 178.31 178.73 3gr9 h ILE 270 N -0.87 1.14 0.28 -0.55 5.03 -0.14 -2.81 117.51 119.59 3gr9 h ILE 270 Ca -0.06 -0.29 -0.01 0.00 -0.12 0.00 0.00 64.86 64.38 3gr9 h ILE 270 Cb 0.56 0.23 0.00 0.00 -3.03 0.00 0.00 36.82 34.59 3gr9 h ILE 270 CO 0.10 0.15 -0.14 0.28 -0.68 0.00 0.00 178.15 177.87 3gr9 h SER 271 N 0.83 -0.32 -0.77 1.72 0.02 -0.52 -2.80 113.55 111.72 3gr9 h SER 271 Ca 0.24 -0.11 0.17 0.00 -0.84 0.00 0.00 61.79 61.25 3gr9 h SER 271 Cb -0.04 0.08 -0.11 0.00 0.14 0.00 0.00 62.40 62.46 3gr9 h SER 271 CO -0.06 -0.07 0.21 0.58 -1.14 0.00 0.00 176.83 176.35 3gr9 h VAL 272 N -0.56 0.49 -0.52 2.27 2.07 -1.00 -2.17 116.25 116.82 3gr9 h VAL 272 Ca -0.04 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3gr9 h VAL 272 Cb 0.41 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3gr9 h VAL 272 CO 0.06 0.05 0.28 0.03 0.02 0.00 0.00 177.57 178.02 3gr9 h ARG 273 N 0.28 0.53 0.00 1.57 3.08 -1.44 0.17 114.38 118.58 3gr9 h ARG 273 Ca 0.45 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.32 3gr9 h ARG 273 Cb 0.79 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 3gr9 h ARG 273 CO -0.53 0.35 -0.71 0.00 -1.07 0.00 0.00 179.97 178.01 3gr9 h ARG 274 N 0.55 0.00 0.05 0.04 3.08 -1.19 0.21 114.38 117.12 3gr9 h ARG 274 Ca 0.23 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.03 3gr9 h ARG 274 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3gr9 h ARG 274 CO -0.14 0.71 -1.06 0.87 -1.07 0.00 0.00 179.97 179.28 3gr9 h LYS 275 N 0.00 0.36 -0.10 0.04 1.57 -1.19 0.21 116.57 117.46 3gr9 h LYS 275 Ca -0.01 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 3gr9 h LYS 275 Cb 1.28 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.74 3gr9 h LYS 275 CO 0.09 1.15 -0.02 -0.91 -0.57 0.00 0.00 179.45 179.20 3gr9 h ASN 276 N 0.17 0.18 -0.41 0.86 2.35 -0.47 -2.61 115.58 115.65 3gr9 h ASN 276 Ca -0.10 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.32 3gr9 h ASN 276 Cb 1.73 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 40.02 3gr9 h ASN 276 CO 0.18 0.49 0.23 0.00 -1.65 0.00 0.00 177.43 176.68 3gr9 h ALA 277 N 0.70 0.52 -0.32 -0.83 0.00 -0.40 0.32 119.26 119.25 3gr9 h ALA 277 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3gr9 h ALA 277 Cb 0.41 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3gr9 h ALA 277 CO 0.01 -0.11 -0.31 1.49 0.00 0.00 0.00 179.25 180.32 3gr9 h GLU 278 N 0.46 -0.15 -0.38 0.00 4.81 -0.54 0.31 114.58 119.09 3gr9 h GLU 278 Ca 0.17 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 3gr9 h GLU 278 Cb 0.04 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.37 3gr9 h GLU 278 CO -0.10 -0.10 -0.25 -0.92 -0.73 0.00 0.00 179.01 176.92 3gr9 h TYR 279 N -0.16 -0.65 -0.59 0.92 3.20 -1.25 -1.26 116.97 117.19 3gr9 h TYR 279 Ca 0.05 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.08 3gr9 h TYR 279 Cb 0.30 0.34 -0.09 0.00 1.54 0.00 0.00 36.73 38.83 3gr9 h TYR 279 CO -0.76 -0.32 0.10 0.35 -1.64 0.00 0.00 178.16 175.89 3gr9 h PHE 280 N -0.19 0.15 -0.27 -3.82 3.57 0.05 0.18 116.94 116.62 3gr9 h PHE 280 Ca 0.18 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 3gr9 h PHE 280 Cb 0.48 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3gr9 h PHE 280 CO -0.47 -0.05 0.04 -0.07 -2.23 0.00 0.00 178.31 175.53 3gr9 h LEU 281 N 0.23 0.35 0.10 0.59 3.38 0.47 -0.68 115.31 119.76 3gr9 h LEU 281 Ca 0.31 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3gr9 h LEU 281 Cb 0.46 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3gr9 h LEU 281 CO -0.41 0.39 -0.05 -0.78 0.09 0.00 0.00 178.44 177.67 3gr9 h ASP 282 N 0.38 -0.11 0.42 -0.43 3.58 0.34 0.32 116.42 120.92 3gr9 h ASP 282 Ca 0.09 -0.29 -0.02 0.00 0.42 0.00 0.00 57.03 57.23 3gr9 h ASP 282 Cb 0.20 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 3gr9 h ASP 282 CO 0.00 0.24 -0.11 0.11 -2.88 0.00 0.00 179.24 176.60 3gr9 h LYS 283 N -0.48 0.00 -0.02 0.28 1.79 -0.46 -3.07 116.57 114.61 3gr9 h LYS 283 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3gr9 h LYS 283 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3gr9 h LYS 283 CO 0.02 0.11 0.00 1.19 -1.08 0.00 0.00 179.45 179.69 3gr9 n PHE 284 N -3.56 0.02 0.00 -1.35 3.72 -0.29 -4.85 117.46 111.15 3gr9 n PHE 284 Ca -0.02 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3gr9 n PHE 284 Cb 0.25 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3gr9 n PHE 284 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3gr9 n LYS 285 N 0.44 0.00 -2.61 -1.08 4.81 0.11 -2.64 118.16 117.19 3gr9 n LYS 285 Ca 0.05 0.48 -0.38 0.00 -0.87 0.00 0.00 58.31 57.59 3gr9 n LYS 285 Cb 0.21 -0.79 0.01 0.00 0.02 0.00 0.00 35.03 34.48 3gr9 n LYS 285 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gr9 n ASP 286 N -1.82 6.78 -4.76 3.14 8.00 -1.26 -4.99 116.55 121.64 3gr9 n ASP 286 Ca 0.00 -3.71 -0.41 0.00 0.71 0.00 0.00 54.79 51.38 3gr9 n ASP 286 Cb 0.00 -1.03 -0.02 0.00 -0.02 0.00 0.00 41.12 40.05 3gr9 n ASP 286 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3gr9 s HIS 287 N -4.13 3.03 0.13 1.24 2.46 -1.08 -4.94 115.29 111.99 3gr9 s HIS 287 Ca 0.43 1.28 -0.30 0.00 0.47 0.00 0.00 55.06 56.94 3gr9 s HIS 287 Cb 0.24 -3.73 -0.08 0.00 -0.13 0.00 0.00 32.58 28.88 3gr9 s HIS 287 CO -0.17 -2.14 1.58 -1.35 -2.47 0.00 0.00 174.74 170.20 3gr9 h PRO 288 N 3.96 -0.53 0.00 2.88 0.11 -1.93 -3.35 132.00 133.14 3gr9 h PRO 288 Ca -0.48 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gr9 h PRO 288 Cb 1.22 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3gr9 h PRO 288 CO 0.70 -0.35 -0.01 2.48 -0.21 0.00 0.00 178.00 180.60 3gr9 n TYR 289 N -5.44 0.00 -4.08 0.65 4.11 -1.26 -4.96 117.16 106.18 3gr9 n TYR 289 Ca -0.05 -0.53 -0.14 0.00 -0.00 0.00 0.00 57.90 57.18 3gr9 n TYR 289 Cb 0.37 -0.06 -0.13 0.00 -0.00 0.00 0.00 39.34 39.52 3gr9 n TYR 289 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3gr9 s LEU 290 N -1.20 2.14 0.15 -3.48 1.43 -1.26 -0.86 118.68 115.61 3gr9 s LEU 290 Ca 0.05 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 3gr9 s LEU 290 Cb 0.05 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.06 3gr9 s LEU 290 CO 0.00 -0.09 0.04 -1.81 0.23 0.00 0.00 176.35 174.72 3gr9 s ASP 291 N -0.89 5.07 0.52 2.29 1.01 -0.36 -4.42 116.67 119.88 3gr9 s ASP 291 Ca -0.05 -0.26 0.01 0.00 0.71 0.00 0.00 52.55 52.96 3gr9 s ASP 291 Cb -0.06 -1.19 -0.00 0.00 1.01 0.00 0.00 42.92 42.67 3gr9 s ASP 291 CO 0.00 0.10 0.04 0.68 0.21 0.00 0.00 175.17 176.21 3gr9 s VAL 292 N -1.65 1.14 0.23 -1.27 -7.23 -1.26 -0.36 120.40 110.00 3gr9 s VAL 292 Ca 0.28 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 3gr9 s VAL 292 Cb -0.10 -2.09 -0.09 0.00 0.56 0.00 0.00 36.38 34.66 3gr9 s VAL 292 CO 0.20 0.00 1.35 -1.58 -0.31 0.00 0.00 175.10 174.76 3gr9 s GLN 293 N -3.94 4.35 -0.26 4.82 0.74 -1.26 -4.95 119.66 119.17 3gr9 s GLN 293 Ca 0.06 2.14 -0.20 0.00 0.05 0.00 0.00 55.36 57.42 3gr9 s GLN 293 Cb 0.01 -3.16 -0.02 0.00 1.10 0.00 0.00 33.01 30.94 3gr9 s GLN 293 CO 0.04 -0.29 0.61 -1.14 -0.55 0.00 0.00 175.29 173.95 3gr9 s GLN 294 N -0.35 4.09 0.46 1.67 0.74 0.13 -4.99 119.66 121.41 3gr9 s GLN 294 Ca 0.57 0.50 -0.19 0.00 0.05 0.00 0.00 55.36 56.29 3gr9 s GLN 294 Cb -0.38 -3.65 -0.10 0.00 1.10 0.00 0.00 33.01 29.97 3gr9 s GLN 294 CO 0.41 -0.41 0.96 -2.00 -0.55 0.00 0.00 175.29 173.70 3gr9 s GLU 295 N 2.48 4.12 0.05 1.67 2.12 -1.26 -4.22 118.70 123.66 3gr9 s GLU 295 Ca 0.25 1.05 0.03 0.00 0.36 0.00 0.00 54.97 56.66 3gr9 s GLU 295 Cb -0.15 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.04 3gr9 s GLU 295 CO 0.09 -0.11 -0.09 0.99 -0.54 0.00 0.00 175.26 175.59 3gr9 s THR 296 N -2.34 0.66 0.00 -1.70 2.01 -1.26 -5.04 115.64 107.97 3gr9 s THR 296 Ca 0.61 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 61.39 3gr9 s THR 296 Cb -0.09 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.61 3gr9 s THR 296 CO 0.20 -0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.33 3gr9 n GLY 297 N 1.26 3.41 2.60 4.40 0.00 -1.26 -3.75 105.19 111.84 3gr9 n GLY 297 Ca -0.21 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 3gr9 n GLY 297 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gr9 s GLU 298 N 0.00 0.10 0.62 1.61 2.02 -0.24 -5.00 118.70 117.82 3gr9 s GLU 298 Ca 0.00 -0.16 -0.14 0.00 0.02 0.00 0.00 54.97 54.69 3gr9 s GLU 298 Cb 0.00 -1.74 -0.03 0.00 0.10 0.00 0.00 34.13 32.47 3gr9 s GLU 298 CO 0.00 -0.72 1.05 0.45 0.02 0.00 0.00 175.26 176.05 3gr9 s SER 299 N 2.12 5.78 0.00 -0.19 0.15 -1.25 -1.46 113.70 118.85 3gr9 s SER 299 Ca 0.03 1.68 0.23 0.00 0.70 0.00 0.00 55.95 58.59 3gr9 s SER 299 Cb -0.16 -2.51 0.44 0.00 -1.71 0.00 0.00 66.02 62.08 3gr9 s SER 299 CO -0.13 -1.17 1.41 -1.54 1.20 0.00 0.00 173.24 173.01 3gr9 n SER 300 N -2.44 3.54 -3.96 5.45 3.41 -1.11 -4.86 113.62 113.65 3gr9 n SER 300 Ca 0.08 -2.00 -0.37 0.00 -0.26 0.00 0.00 58.87 56.32 3gr9 n SER 300 Cb 0.53 -0.27 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 3gr9 n SER 300 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3gr9 n TRP 301 N 1.53 -1.68 -0.04 7.33 7.02 -1.25 -4.85 117.44 125.49 3gr9 n TRP 301 Ca 0.20 0.42 -0.11 0.00 -1.02 0.00 0.00 57.50 56.99 3gr9 n TRP 301 Cb 0.61 -2.75 -0.05 0.00 -2.42 0.00 0.00 31.31 26.71 3gr9 n TRP 301 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 3gr9 h PHE 302 N -1.53 -1.13 -2.44 -5.99 3.57 -1.41 -3.43 116.94 104.58 3gr9 h PHE 302 Ca -0.69 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 60.81 3gr9 h PHE 302 Cb 1.41 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 40.66 3gr9 h PHE 302 CO 0.30 -0.44 -0.02 0.41 -2.23 0.00 0.00 178.31 176.32 3gr9 n GLY 303 N -1.42 2.79 3.23 2.40 0.00 -1.26 -2.99 105.19 107.94 3gr9 n GLY 303 Ca -0.03 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 3gr9 n GLY 303 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gr9 s PHE 304 N -4.84 2.74 0.09 1.61 0.08 0.18 -4.85 117.98 113.00 3gr9 s PHE 304 Ca 0.06 -1.17 0.03 0.00 0.12 0.00 0.00 56.93 55.97 3gr9 s PHE 304 Cb -0.00 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 3gr9 s PHE 304 CO 0.05 -0.53 0.12 -1.54 -0.10 0.00 0.00 175.22 173.21 3gr9 s SER 305 N 0.84 5.74 0.06 1.36 1.04 -1.26 -0.89 113.70 120.58 3gr9 s SER 305 Ca -0.05 0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.46 3gr9 s SER 305 Cb -0.15 -1.60 -0.03 0.00 0.10 0.00 0.00 66.02 64.34 3gr9 s SER 305 CO -0.01 0.16 -0.13 -0.36 0.98 0.00 0.00 173.24 173.88 3gr9 s PHE 306 N -1.47 1.09 -0.16 5.02 0.08 -0.06 -4.01 117.98 118.48 3gr9 s PHE 306 Ca 0.31 -0.43 -0.02 0.00 0.12 0.00 0.00 56.93 56.91 3gr9 s PHE 306 Cb -0.12 -0.63 0.05 0.00 -0.57 0.00 0.00 43.02 41.75 3gr9 s PHE 306 CO 0.24 0.02 0.02 -1.50 -0.10 0.00 0.00 175.22 173.90 3gr9 s ILE 307 N -1.15 0.57 0.02 0.64 1.10 0.51 -2.12 121.20 120.77 3gr9 s ILE 307 Ca -0.02 -0.42 -0.34 0.00 -0.51 0.00 0.00 60.65 59.35 3gr9 s ILE 307 Cb -0.09 -0.96 -0.13 0.00 0.15 0.00 0.00 42.46 41.43 3gr9 s ILE 307 CO 0.02 -0.06 1.75 -0.38 -2.11 0.00 0.00 174.94 174.15 3gr9 n ILE 308 N 5.05 0.33 -1.89 2.00 5.41 -0.30 -1.23 119.36 128.73 3gr9 n ILE 308 Ca -0.09 -0.06 -0.41 0.00 1.00 0.00 0.00 62.75 63.19 3gr9 n ILE 308 Cb 0.48 -1.72 -0.01 0.00 -0.71 0.00 0.00 39.64 37.68 3gr9 n ILE 308 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3gr9 s LYS 309 N 2.70 4.18 0.42 0.38 1.02 -0.04 -4.91 119.74 123.50 3gr9 s LYS 309 Ca 0.87 2.47 -0.26 0.00 0.02 0.00 0.00 55.97 59.06 3gr9 s LYS 309 Cb -0.69 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 33.53 3gr9 s LYS 309 CO 0.46 -0.44 1.44 1.63 -0.92 0.00 0.00 175.35 177.52 3gr9 n LYS 310 N 0.66 2.38 -3.70 1.68 4.01 -1.26 -2.93 118.16 119.01 3gr9 n LYS 310 Ca 0.01 0.84 -0.28 0.00 -0.51 0.00 0.00 58.31 58.37 3gr9 n LYS 310 Cb 0.40 -2.63 0.03 0.00 -0.51 0.00 0.00 35.03 32.32 3gr9 n LYS 310 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3gr9 n ASP 311 N 0.06 -4.03 0.00 4.39 8.00 -1.26 -4.88 116.55 118.82 3gr9 n ASP 311 Ca 0.04 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.57 3gr9 n ASP 311 Cb 0.40 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.95 3gr9 n ASP 311 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gr9 n SER 312 N -2.81 1.12 0.00 -2.24 3.41 -1.15 -5.01 113.62 106.94 3gr9 n SER 312 Ca -0.15 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 3gr9 n SER 312 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3gr9 n SER 312 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gr9 n GLY 313 N -0.13 0.00 3.80 5.00 0.00 -1.26 -4.94 105.19 107.66 3gr9 n GLY 313 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3gr9 n GLY 313 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gr9 s VAL 314 N -0.67 4.45 -0.27 1.61 1.01 -1.26 -5.06 120.40 120.21 3gr9 s VAL 314 Ca 0.00 1.48 -0.03 0.00 0.00 0.00 0.00 61.98 63.43 3gr9 s VAL 314 Cb 0.00 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3gr9 s VAL 314 CO 0.00 0.23 -0.02 -0.63 0.00 0.00 0.00 175.10 174.68 3gr9 s ILE 315 N -1.50 3.18 0.23 2.22 1.01 -1.26 -5.02 121.20 120.06 3gr9 s ILE 315 Ca 0.44 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 3gr9 s ILE 315 Cb -0.18 -2.64 0.30 0.00 0.01 0.00 0.00 42.46 39.94 3gr9 s ILE 315 CO 0.22 0.14 1.48 -1.14 0.00 0.00 0.00 174.94 175.64 3gr9 n ARG 316 N 4.72 -0.18 0.00 2.79 0.00 -1.26 0.93 116.66 123.66 3gr9 n ARG 316 Ca -0.16 1.47 0.06 0.00 -0.00 0.00 0.00 57.85 59.22 3gr9 n ARG 316 Cb 0.47 -2.18 0.35 0.00 0.00 0.00 0.00 32.46 31.10 3gr9 n ARG 316 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3gr9 n LYS 317 N -5.45 0.55 -0.09 -0.14 5.02 -1.26 -1.64 118.16 115.15 3gr9 n LYS 317 Ca 0.11 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.22 3gr9 n LYS 317 Cb 0.41 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 33.98 3gr9 n LYS 317 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3gr9 h GLN 318 N 0.00 0.00 -0.78 1.97 1.08 0.13 -3.16 115.11 114.35 3gr9 h GLN 318 Ca 0.00 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 3gr9 h GLN 318 Cb 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 3gr9 h GLN 318 CO 0.00 0.88 0.51 -0.07 -0.95 0.00 0.00 178.83 179.20 3gr9 h LEU 319 N -1.00 0.69 0.29 1.46 3.38 -1.21 -1.41 115.31 117.51 3gr9 h LEU 319 Ca -0.26 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3gr9 h LEU 319 Cb 1.15 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3gr9 h LEU 319 CO -0.16 0.43 -0.14 0.58 0.09 0.00 0.00 178.44 179.25 3gr9 h VAL 320 N 0.77 0.74 -0.04 1.22 2.07 -1.51 0.18 116.25 119.68 3gr9 h VAL 320 Ca 0.35 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.69 3gr9 h VAL 320 Cb 0.34 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3gr9 h VAL 320 CO -0.13 0.04 -0.14 -0.08 0.02 0.00 0.00 177.57 177.28 3gr9 h GLU 321 N -0.48 -0.14 -0.82 1.57 4.81 -1.26 -1.25 114.58 117.01 3gr9 h GLU 321 Ca -0.04 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.31 3gr9 h GLU 321 Cb 0.36 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.65 3gr9 h GLU 321 CO 0.06 -0.09 -0.38 0.09 -0.73 0.00 0.00 179.01 177.96 3gr9 n ASN 322 N -3.31 -0.66 -0.23 1.04 5.03 -0.63 -0.91 115.26 115.58 3gr9 n ASN 322 Ca -0.02 1.44 -0.04 0.00 0.87 0.00 0.00 54.58 56.84 3gr9 n ASN 322 Cb 0.10 -0.27 0.07 0.00 -1.02 0.00 0.00 39.78 38.66 3gr9 n ASN 322 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3gr9 h LEU 323 N 0.00 0.65 -0.20 3.41 3.38 0.31 -1.93 115.31 120.94 3gr9 h LEU 323 Ca 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3gr9 h LEU 323 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3gr9 h LEU 323 CO -0.79 0.45 0.04 0.78 0.09 0.00 0.00 178.44 179.01 3gr9 h ASN 324 N 0.79 0.31 0.04 -0.43 2.35 0.08 0.95 115.58 119.66 3gr9 h ASN 324 Ca 0.27 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3gr9 h ASN 324 Cb 0.04 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3gr9 h ASN 324 CO -0.12 0.48 0.00 0.28 -1.65 0.00 0.00 177.43 176.42 3gr9 h SER 325 N 0.14 0.00 -0.32 5.81 0.02 -1.12 0.19 113.55 118.26 3gr9 h SER 325 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3gr9 h SER 325 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3gr9 h SER 325 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3gr9 n ALA 326 N -1.90 2.40 -2.36 3.77 0.00 -0.74 -4.94 120.51 116.74 3gr9 n ALA 326 Ca -0.02 -0.95 -0.06 0.00 0.00 0.00 0.00 53.44 52.41 3gr9 n ALA 326 Cb 0.06 -0.76 0.01 0.00 0.00 0.00 0.00 19.45 18.75 3gr9 n ALA 326 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gr9 n GLY 327 N 1.29 0.30 3.40 0.00 0.00 0.66 -4.89 105.19 105.94 3gr9 n GLY 327 Ca 0.17 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 3gr9 n GLY 327 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gr9 s ILE 328 N -2.58 3.77 -0.04 -0.61 -1.09 0.32 -1.10 121.20 119.88 3gr9 s ILE 328 Ca 0.06 -0.37 -0.23 0.00 -2.23 0.00 0.00 60.65 57.88 3gr9 s ILE 328 Cb -0.03 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 3gr9 s ILE 328 CO 0.07 0.42 0.68 -0.70 -1.23 0.00 0.00 174.94 174.18 3gr9 s GLU 329 N 1.24 4.42 0.13 2.79 2.12 0.49 -3.31 118.70 126.59 3gr9 s GLU 329 Ca 0.03 0.87 -0.07 0.00 0.36 0.00 0.00 54.97 56.16 3gr9 s GLU 329 Cb -0.15 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 3gr9 s GLU 329 CO 0.00 0.16 0.20 0.00 -0.54 0.00 0.00 175.26 175.08 3gr9 s ARG 331 N -3.95 1.33 0.51 0.00 1.70 -0.52 -4.96 118.95 113.06 3gr9 s ARG 331 Ca 0.14 -0.70 -0.22 0.00 -0.47 0.00 0.00 55.73 54.48 3gr9 s ARG 331 Cb 0.05 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.83 3gr9 s ARG 331 CO -0.03 -0.61 1.20 -2.30 -1.08 0.00 0.00 175.30 172.48 3gr9 n PRO 332 N -0.44 1.52 -2.05 3.89 -0.02 -1.26 -0.31 135.00 136.33 3gr9 n PRO 332 Ca -0.06 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 3gr9 n PRO 332 Cb 0.61 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 3gr9 n PRO 332 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gr9 s ILE 333 N -1.32 3.61 0.00 4.25 1.01 -1.26 -4.55 121.20 122.94 3gr9 s ILE 333 Ca 0.69 0.71 0.00 0.00 0.00 0.00 0.00 60.65 62.04 3gr9 s ILE 333 Cb -0.46 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3gr9 s ILE 333 CO 0.52 -0.20 0.00 0.52 0.00 0.00 0.00 174.94 175.77 3gr9 n VAL 334 N 6.19 0.00 -0.22 2.92 0.31 -1.26 -0.58 118.33 125.69 3gr9 n VAL 334 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 3gr9 n VAL 334 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3gr9 n VAL 334 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3gr9 n THR 335 N 0.00 0.79 -4.08 2.52 -2.24 -1.26 -5.05 114.28 104.96 3gr9 n THR 335 Ca 0.00 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3gr9 n THR 335 Cb 0.00 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3gr9 n THR 335 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gr9 n GLY 336 N -0.40 0.37 3.55 3.38 0.00 0.25 -4.61 105.19 107.73 3gr9 n GLY 336 Ca 0.00 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 3gr9 n GLY 336 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gr9 s ASN 337 N -4.00 5.84 0.57 1.61 3.84 -1.26 -4.55 114.94 117.00 3gr9 s ASN 337 Ca 0.00 -0.09 0.28 0.00 0.21 0.00 0.00 52.86 53.25 3gr9 s ASN 337 Cb 0.00 -2.55 1.52 0.00 -0.55 0.00 0.00 41.25 39.67 3gr9 s ASN 337 CO 0.00 -2.02 1.99 0.15 -2.79 0.00 0.00 177.10 174.43 3gr9 h PHE 338 N 11.89 0.00 0.00 0.43 3.57 -1.21 -0.33 116.94 131.29 3gr9 h PHE 338 Ca -0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.23 3gr9 h PHE 338 Cb 1.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.83 3gr9 h PHE 338 CO 1.09 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 178.45 3gr9 n LEU 339 N -3.92 0.00 -0.06 0.59 4.32 -1.26 -2.15 117.00 114.52 3gr9 n LEU 339 Ca 0.06 0.00 0.14 0.00 -0.02 0.00 0.00 56.01 56.20 3gr9 n LEU 339 Cb 0.54 0.00 0.63 0.00 -1.62 0.00 0.00 43.42 42.97 3gr9 n LEU 339 CO 0.30 0.00 0.90 2.29 -1.22 0.00 0.00 177.39 179.66 3gr9 n LYS 340 N -0.97 0.48 -1.96 3.23 2.85 -0.13 -4.33 118.16 117.32 3gr9 n LYS 340 Ca 0.17 -0.12 -0.42 0.00 -1.05 0.00 0.00 58.31 56.90 3gr9 n LYS 340 Cb 0.08 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 32.96 3gr9 n LYS 340 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gr9 n ASN 341 N -1.16 5.57 -0.33 -5.58 3.02 -0.91 -4.74 115.26 111.12 3gr9 n ASN 341 Ca 0.13 -2.96 0.08 0.00 -0.03 0.00 0.00 54.58 51.80 3gr9 n ASN 341 Cb 0.28 -1.53 0.28 0.00 -0.61 0.00 0.00 39.78 38.20 3gr9 n ASN 341 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3gr9 h THR 342 N 3.57 0.90 0.04 3.41 1.35 -1.87 -2.69 112.91 117.61 3gr9 h THR 342 Ca 0.55 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 66.10 3gr9 h THR 342 Cb 0.54 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 3gr9 h THR 342 CO 1.71 0.17 -0.02 0.44 -0.25 0.00 0.00 175.52 177.57 3gr9 h ASP 343 N 0.91 -0.05 0.79 5.36 3.32 -1.97 -2.79 116.42 122.01 3gr9 h ASP 343 Ca 0.48 -0.37 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3gr9 h ASP 343 Cb 0.54 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3gr9 h ASP 343 CO -0.24 0.36 -0.29 1.62 -1.72 0.00 0.00 179.24 178.96 3gr9 h VAL 344 N -0.45 0.74 -0.99 -1.35 3.04 -1.97 -2.94 116.25 112.33 3gr9 h VAL 344 Ca -0.01 -1.25 0.01 0.00 -1.01 0.00 0.00 66.70 64.45 3gr9 h VAL 344 Cb 0.42 1.79 -0.05 0.00 -2.01 0.00 0.00 31.29 31.43 3gr9 h VAL 344 CO 0.01 0.28 0.66 -0.07 -1.01 0.00 0.00 177.57 177.44 3gr9 h LEU 345 N 0.00 1.13 -0.68 3.16 4.07 -1.40 -1.11 115.31 120.49 3gr9 h LEU 345 Ca -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3gr9 h LEU 345 Cb 0.77 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.22 3gr9 h LEU 345 CO 0.04 0.82 0.42 0.11 -1.08 0.00 0.00 178.44 178.75 3gr9 h LYS 346 N 1.34 0.00 -0.00 1.13 1.79 -1.30 3.08 116.57 122.60 3gr9 h LYS 346 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 3gr9 h LYS 346 Cb -0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 3gr9 h LYS 346 CO -0.08 0.00 -0.67 0.66 -1.08 0.00 0.00 179.45 178.28 3gr9 n TYR 347 N -2.01 0.00 -3.51 -1.35 4.01 -0.42 -4.95 117.16 108.93 3gr9 n TYR 347 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.48 3gr9 n TYR 347 Cb 0.44 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 3gr9 n TYR 347 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3gr9 s PHE 348 N -2.84 3.49 -0.96 -0.72 0.40 1.03 -5.01 117.98 113.35 3gr9 s PHE 348 Ca 0.13 0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 56.78 3gr9 s PHE 348 Cb 0.17 -1.87 0.28 0.00 0.51 0.00 0.00 43.02 42.11 3gr9 s PHE 348 CO 0.72 0.22 1.16 -3.47 0.70 0.00 0.00 175.22 174.56 3gr9 n ASP 349 N -1.39 5.38 -4.60 1.36 -0.08 -1.26 -5.01 116.55 110.95 3gr9 n ASP 349 Ca -0.05 -3.32 -0.28 0.00 -1.51 0.00 0.00 54.79 49.63 3gr9 n ASP 349 Cb 0.55 -1.12 -0.10 0.00 2.34 0.00 0.00 41.12 42.79 3gr9 n ASP 349 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3gr9 s TYR 350 N -2.28 2.22 0.16 -0.67 1.13 -1.26 -0.69 117.35 115.97 3gr9 s TYR 350 Ca 0.32 -0.83 -0.15 0.00 -1.41 0.00 0.00 57.07 55.01 3gr9 s TYR 350 Cb 0.03 -1.62 0.02 0.00 -1.10 0.00 0.00 41.96 39.29 3gr9 s TYR 350 CO 0.02 0.28 0.42 -0.08 -2.51 0.00 0.00 175.55 173.67 3gr9 s THR 351 N -2.88 0.05 -0.15 -3.49 -1.32 0.22 -4.89 115.64 103.18 3gr9 s THR 351 Ca 0.27 -0.87 0.01 0.00 -1.21 0.00 0.00 61.69 59.89 3gr9 s THR 351 Cb 0.07 -1.51 0.00 0.00 -1.51 0.00 0.00 72.50 69.56 3gr9 s THR 351 CO 0.14 -0.24 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.44 3gr9 s VAL 352 N -3.87 2.49 -0.03 5.08 1.01 -1.26 0.41 120.40 124.22 3gr9 s VAL 352 Ca 0.09 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 3gr9 s VAL 352 Cb 0.01 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3gr9 s VAL 352 CO -0.05 0.53 0.93 -2.28 0.00 0.00 0.00 175.10 174.23 3gr9 s HIS 353 N 0.77 3.62 0.00 5.22 2.46 -0.15 -4.79 115.29 122.42 3gr9 s HIS 353 Ca -0.07 1.59 0.00 0.00 0.47 0.00 0.00 55.06 57.06 3gr9 s HIS 353 Cb -0.16 -3.07 0.00 0.00 -0.13 0.00 0.00 32.58 29.22 3gr9 s HIS 353 CO 0.00 -0.03 0.00 -1.71 -2.47 0.00 0.00 174.74 170.53 3gr9 n ASN 354 N 4.08 0.00 -2.08 9.88 5.15 -1.26 -4.56 115.26 126.46 3gr9 n ASN 354 Ca 0.05 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.94 3gr9 n ASN 354 Cb 0.51 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.73 3gr9 n ASN 354 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3gr9 n ASN 355 N 7.23 -0.47 -2.69 1.20 0.23 -1.26 -5.05 115.26 114.45 3gr9 n ASN 355 Ca 0.00 -2.05 -0.06 0.00 -0.53 0.00 0.00 54.58 51.94 3gr9 n ASN 355 Cb 0.00 0.99 0.04 0.00 -2.08 0.00 0.00 39.78 38.73 3gr9 n ASN 355 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 3gr9 n VAL 356 N -0.31 1.37 -0.37 3.53 0.24 -1.26 -4.01 118.33 117.52 3gr9 n VAL 356 Ca 0.03 -3.19 0.01 0.00 -2.04 0.00 0.00 64.34 59.15 3gr9 n VAL 356 Cb 0.30 0.75 0.15 0.00 -1.47 0.00 0.00 33.84 33.58 3gr9 n VAL 356 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3gr9 h ASP 357 N 2.67 1.08 0.20 -1.34 5.19 -1.96 0.21 116.42 122.47 3gr9 h ASP 357 Ca -0.06 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 3gr9 h ASP 357 Cb 1.25 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.52 3gr9 h ASP 357 CO 0.36 0.73 -0.10 0.78 -3.12 0.00 0.00 179.24 177.89 3gr9 h ASN 358 N 1.25 -0.23 -0.56 6.45 2.35 -1.91 0.11 115.58 123.04 3gr9 h ASN 358 Ca 0.40 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 3gr9 h ASN 358 Cb 0.03 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3gr9 h ASN 358 CO -0.13 -0.06 0.32 0.00 -1.65 0.00 0.00 177.43 175.90 3gr9 h ALA 359 N 0.39 1.48 -0.84 -0.83 0.00 -1.76 0.75 119.26 118.45 3gr9 h ALA 359 Ca -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3gr9 h ALA 359 Cb 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3gr9 h ALA 359 CO 0.05 0.44 0.44 0.93 0.00 0.00 0.00 179.25 181.10 3gr9 h GLU 360 N 0.80 1.18 -0.10 0.00 5.08 -0.15 0.90 114.58 122.29 3gr9 h GLU 360 Ca 0.21 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 3gr9 h GLU 360 Cb 0.01 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.05 3gr9 h GLU 360 CO -0.03 0.88 -0.73 -0.92 -1.00 0.00 0.00 179.01 177.21 3gr9 h TYR 361 N 1.18 0.93 -0.63 4.33 3.20 0.13 -1.77 116.97 124.34 3gr9 h TYR 361 Ca 0.29 -0.43 -0.05 0.00 3.14 0.00 0.00 58.73 61.68 3gr9 h TYR 361 Cb 0.05 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3gr9 h TYR 361 CO 0.01 1.25 0.19 1.25 -1.64 0.00 0.00 178.16 179.22 3gr9 h LEU 362 N 0.35 0.90 -1.43 2.82 6.46 0.73 0.41 115.31 125.54 3gr9 h LEU 362 Ca -0.06 -0.16 0.08 0.00 -0.12 0.00 0.00 57.88 57.62 3gr9 h LEU 362 Cb 1.37 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 41.02 3gr9 h LEU 362 CO 0.15 0.85 0.47 -0.78 -0.62 0.00 0.00 178.44 178.51 3gr9 h ASP 363 N 0.93 0.59 0.19 1.25 3.58 0.17 -1.79 116.42 121.34 3gr9 h ASP 363 Ca 0.21 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3gr9 h ASP 363 Cb 0.28 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.22 3gr9 h ASP 363 CO -0.01 0.37 -1.57 0.29 -2.88 0.00 0.00 179.24 175.44 3gr9 n LYS 364 N -4.49 0.49 0.00 0.28 4.76 -0.94 -4.64 118.16 113.63 3gr9 n LYS 364 Ca 0.11 -0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3gr9 n LYS 364 Cb 0.29 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 3gr9 n LYS 364 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3gr9 n ASN 365 N -2.15 1.54 -4.66 4.39 3.02 0.11 -4.73 115.26 112.78 3gr9 n ASN 365 Ca -0.01 -1.61 -0.33 0.00 -0.03 0.00 0.00 54.58 52.60 3gr9 n ASN 365 Cb 0.51 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.59 3gr9 n ASN 365 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gr9 s GLY 366 N -0.61 1.84 0.17 7.41 0.00 -0.69 -1.15 107.32 114.30 3gr9 s GLY 366 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 3gr9 s GLY 366 CO 0.00 -0.81 0.08 1.08 0.00 0.00 0.00 173.10 173.46 3gr9 s LEU 367 N -1.45 1.54 -0.05 0.66 1.02 -0.90 -4.37 118.68 115.14 3gr9 s LEU 367 Ca 0.18 -1.29 -0.07 0.00 0.02 0.00 0.00 54.13 52.97 3gr9 s LEU 367 Cb -0.11 0.28 0.01 0.00 0.02 0.00 0.00 46.19 46.39 3gr9 s LEU 367 CO 0.09 -0.76 0.18 0.12 0.02 0.00 0.00 176.35 175.99 3gr9 s PHE 368 N -4.04 -0.13 0.06 0.29 2.19 0.58 -0.88 117.98 116.04 3gr9 s PHE 368 Ca 0.31 0.31 0.04 0.00 0.33 0.00 0.00 56.93 57.92 3gr9 s PHE 368 Cb 0.07 0.04 -0.03 0.00 -1.31 0.00 0.00 43.02 41.79 3gr9 s PHE 368 CO 0.07 -0.17 -0.12 0.14 1.83 0.00 0.00 175.22 176.97 3gr9 s VAL 369 N -0.39 0.94 0.80 3.12 -7.23 -0.07 -1.43 120.40 116.13 3gr9 s VAL 369 Ca -0.05 -1.15 -0.12 0.00 -1.81 0.00 0.00 61.98 58.85 3gr9 s VAL 369 Cb -0.03 -0.91 0.07 0.00 0.56 0.00 0.00 36.38 36.07 3gr9 s VAL 369 CO 0.01 -0.21 1.16 -0.83 -0.31 0.00 0.00 175.10 174.92 3gr9 s GLY 370 N -1.53 1.60 0.07 2.32 0.00 -1.26 0.50 107.32 109.02 3gr9 s GLY 370 Ca -0.03 -0.59 0.06 0.00 0.00 0.00 0.00 44.72 44.16 3gr9 s GLY 370 CO 0.02 -0.12 -0.16 0.21 0.00 0.00 0.00 173.10 173.05 3gr9 s ASN 371 N -4.51 1.87 0.37 1.64 3.84 -1.16 -4.57 114.94 112.42 3gr9 s ASN 371 Ca 0.61 -0.61 0.05 0.00 0.21 0.00 0.00 52.86 53.13 3gr9 s ASN 371 Cb -0.11 -0.08 -0.03 0.00 -0.55 0.00 0.00 41.25 40.48 3gr9 s ASN 371 CO 0.50 -0.03 0.18 -1.00 -2.79 0.00 0.00 177.10 173.96 3gr9 s HIS 372 N -1.18 1.74 -0.38 0.43 3.76 -1.26 -4.81 115.29 113.60 3gr9 s HIS 372 Ca 0.00 -1.43 0.03 0.00 -0.15 0.00 0.00 55.06 53.52 3gr9 s HIS 372 Cb -0.10 -0.97 0.53 0.00 1.11 0.00 0.00 32.58 33.16 3gr9 s HIS 372 CO 0.03 -0.52 1.76 0.00 -0.85 0.00 0.00 174.74 175.16 3gr9 n GLN 373 N -0.77 2.04 -4.24 1.40 0.00 -1.26 -3.99 117.38 110.55 3gr9 n GLN 373 Ca -0.01 -2.45 -0.18 0.00 0.00 0.00 0.00 57.00 54.36 3gr9 n GLN 373 Cb 0.64 -1.96 -0.11 0.00 0.00 0.00 0.00 30.24 28.81 3gr9 n GLN 373 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3gr9 s ILE 374 N -2.76 1.31 0.37 -0.39 -4.36 -1.26 -4.84 121.20 109.27 3gr9 s ILE 374 Ca 0.47 -1.75 -0.28 0.00 -0.26 0.00 0.00 60.65 58.83 3gr9 s ILE 374 Cb 0.39 -1.56 -0.11 0.00 1.25 0.00 0.00 42.46 42.44 3gr9 s ILE 374 CO 0.08 -0.45 1.45 -1.83 0.24 0.00 0.00 174.94 174.44 3gr9 s GLU 375 N -2.77 4.16 -0.16 0.37 -1.05 -1.26 -4.89 118.70 113.10 3gr9 s GLU 375 Ca 0.10 2.50 0.16 0.00 -0.15 0.00 0.00 54.97 57.57 3gr9 s GLU 375 Cb -0.04 -2.99 0.43 0.00 -0.44 0.00 0.00 34.13 31.09 3gr9 s GLU 375 CO 0.03 -0.46 1.20 1.28 0.95 0.00 0.00 175.26 178.25 3gr9 n LEU 376 N 0.57 2.32 0.03 1.83 4.77 -1.26 -4.84 117.00 120.41 3gr9 n LEU 376 Ca 0.01 -3.37 -0.12 0.00 -0.03 0.00 0.00 56.01 52.50 3gr9 n LEU 376 Cb 0.40 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 3gr9 n LEU 376 CO 0.63 1.18 0.87 -0.26 -1.33 0.00 0.00 177.39 178.47 3gr9 h PHE 377 N 1.13 0.00 0.54 -1.77 0.04 -1.95 0.20 116.94 115.14 3gr9 h PHE 377 Ca -0.05 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3gr9 h PHE 377 Cb 1.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.45 3gr9 h PHE 377 CO 0.59 -0.00 -0.46 0.22 -0.60 0.00 0.00 178.31 178.05 3gr9 h ASP 378 N 0.01 -1.24 -0.85 2.17 3.58 -1.99 0.24 116.42 118.34 3gr9 h ASP 378 Ca 0.01 0.09 0.12 0.00 0.42 0.00 0.00 57.03 57.67 3gr9 h ASP 378 Cb 0.01 0.39 -0.06 0.00 1.72 0.00 0.00 39.33 41.39 3gr9 h ASP 378 CO -0.02 -0.64 0.55 1.05 -2.88 0.00 0.00 179.24 177.31 3gr9 h GLU 379 N -0.98 0.70 -0.37 0.28 9.09 -1.91 0.36 114.58 121.75 3gr9 h GLU 379 Ca -0.07 -0.04 -0.14 0.00 0.05 0.00 0.00 59.36 59.16 3gr9 h GLU 379 Cb 0.83 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 27.76 3gr9 h GLU 379 CO -0.01 0.46 -0.32 0.82 0.05 0.00 0.00 179.01 180.01 3gr9 h ILE 380 N 0.72 1.28 -0.41 -1.06 2.04 -0.16 0.27 117.51 120.19 3gr9 h ILE 380 Ca 0.41 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3gr9 h ILE 380 Cb 0.59 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3gr9 h ILE 380 CO -0.18 0.49 0.26 0.44 0.00 0.00 0.00 178.15 179.17 3gr9 h ASP 381 N 0.69 0.47 0.10 1.72 3.32 0.29 -0.69 116.42 122.32 3gr9 h ASP 381 Ca 0.07 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3gr9 h ASP 381 Cb 0.87 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3gr9 h ASP 381 CO 0.08 0.36 -0.15 0.22 -1.72 0.00 0.00 179.24 178.02 3gr9 h TYR 382 N 0.55 0.13 -0.23 4.55 3.20 0.08 -2.58 116.97 122.68 3gr9 h TYR 382 Ca 0.15 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 3gr9 h TYR 382 Cb -0.05 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3gr9 h TYR 382 CO -0.04 0.28 -0.35 1.25 -1.64 0.00 0.00 178.16 177.66 3gr9 h LEU 383 N 0.12 0.51 -1.41 2.82 5.85 0.99 -2.66 115.31 121.53 3gr9 h LEU 383 Ca 0.02 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3gr9 h LEU 383 Cb 0.35 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3gr9 h LEU 383 CO 0.02 0.82 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.78 3gr9 h ARG 384 N 0.41 0.00 0.00 1.25 1.12 -0.92 -2.09 114.38 114.15 3gr9 h ARG 384 Ca 0.05 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.88 3gr9 h ARG 384 Cb 0.81 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.77 3gr9 h ARG 384 CO 0.07 0.07 -0.18 0.93 -3.11 0.00 0.00 179.97 177.75 3gr9 h GLU 385 N 0.00 0.00 -0.32 0.20 4.39 -1.46 -3.33 114.58 114.06 3gr9 h GLU 385 Ca -0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3gr9 h GLU 385 Cb 0.56 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 3gr9 h GLU 385 CO 0.01 0.92 0.07 0.28 -1.16 0.00 0.00 179.01 179.14 3gr9 h VAL 386 N -1.00 0.85 -1.45 3.13 2.07 -1.42 -3.17 116.25 115.26 3gr9 h VAL 386 Ca -0.05 -0.07 -0.64 0.00 0.82 0.00 0.00 66.70 66.76 3gr9 h VAL 386 Cb 0.97 0.64 -0.12 0.00 -1.52 0.00 0.00 31.29 31.27 3gr9 h VAL 386 CO -0.03 0.04 1.45 -0.76 0.02 0.00 0.00 177.57 178.29 3gr9 s LEU 387 N -10.35 4.03 0.00 2.57 1.43 -0.79 -5.03 118.68 110.54 3gr9 s LEU 387 Ca -0.13 -1.87 0.00 0.00 -1.03 0.00 0.00 54.13 51.10 3gr9 s LEU 387 Cb 0.12 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.82 3gr9 s LEU 387 CO 0.70 -1.29 0.07 1.17 0.23 0.00 0.00 176.35 177.23