#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gr9 n TYR 4 N 0.00 0.00 -2.61 -2.53 4.19 -1.22 -4.92 117.16 110.06 3gr9 n TYR 4 Ca 0.00 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 60.98 3gr9 n TYR 4 Cb 0.00 0.00 0.11 0.00 0.49 0.00 0.00 39.34 39.94 3gr9 n TYR 4 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3gr9 s PRO 5 N 0.00 1.65 -0.03 2.98 0.04 -1.26 -1.15 135.00 137.23 3gr9 s PRO 5 Ca 0.00 -1.17 0.01 0.00 0.04 0.00 0.00 61.00 59.88 3gr9 s PRO 5 Cb 0.00 -2.34 -0.26 0.00 0.04 0.00 0.00 34.50 31.94 3gr9 s PRO 5 CO 0.00 -1.46 0.71 -0.07 0.04 0.00 0.00 177.00 176.21 3gr9 h LEU 6 N -0.53 0.25 -8.82 -3.56 3.38 -1.94 -3.40 115.31 100.70 3gr9 h LEU 6 Ca -0.35 -0.44 -0.68 0.00 0.09 0.00 0.00 57.88 56.49 3gr9 h LEU 6 Cb 1.27 -0.08 -0.25 0.00 0.09 0.00 0.00 40.66 41.69 3gr9 h LEU 6 CO 0.39 1.38 -0.78 0.00 0.09 0.00 0.00 178.44 179.53 3gr9 s ALA 7 N -2.60 2.62 0.21 1.53 0.00 -1.26 -4.43 121.76 117.84 3gr9 s ALA 7 Ca -0.10 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 50.92 3gr9 s ALA 7 Cb 0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 3gr9 s ALA 7 CO 0.82 0.48 0.10 0.45 0.00 0.00 0.00 175.76 177.61 3gr9 n SER 8 N 2.63 0.67 -4.86 0.00 2.88 -1.26 -5.15 113.62 108.53 3gr9 n SER 8 Ca -0.17 -2.20 -0.33 0.00 -1.33 0.00 0.00 58.87 54.84 3gr9 n SER 8 Cb 0.52 0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 64.60 3gr9 n SER 8 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3gr9 s SER 9 N -2.35 6.09 -0.04 -3.46 0.15 -1.26 -4.96 113.70 107.88 3gr9 s SER 9 Ca 0.14 0.25 0.10 0.00 0.70 0.00 0.00 55.95 57.15 3gr9 s SER 9 Cb 0.01 -1.85 0.30 0.00 -1.71 0.00 0.00 66.02 62.77 3gr9 s SER 9 CO 0.10 0.25 1.24 0.35 1.20 0.00 0.00 173.24 176.39 3gr9 n THR 10 N 0.95 1.27 -3.79 6.45 -2.24 -1.26 -4.97 114.28 110.69 3gr9 n THR 10 Ca -0.11 -1.21 -0.21 0.00 -2.27 0.00 0.00 64.05 60.25 3gr9 n THR 10 Cb 0.52 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.40 3.02 0.00 4.78 0.52 -1.26 -4.98 118.94 119.63 3gr9 s TRP 11 Ca 0.23 -0.23 0.00 0.00 0.02 0.00 0.00 56.10 56.12 3gr9 s TRP 11 Cb 0.15 -1.77 0.00 0.00 -1.15 0.00 0.00 33.47 30.70 3gr9 s TRP 11 CO 0.12 0.21 0.00 -0.40 0.02 0.00 0.00 176.95 176.89 3gr9 n ASP 12 N -1.41 0.00 -0.24 2.95 5.68 -1.26 -5.04 116.55 117.23 3gr9 n ASP 12 Ca -0.03 -0.78 0.00 0.00 -0.50 0.00 0.00 54.79 53.49 3gr9 n ASP 12 Cb 0.59 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.64 3gr9 n ASP 12 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3gr9 h ASP 13 N 0.00 -0.71 -1.07 -1.12 3.32 -2.00 -0.79 116.42 114.05 3gr9 h ASP 13 Ca 0.00 0.21 0.31 0.00 0.02 0.00 0.00 57.03 57.57 3gr9 h ASP 13 Cb 0.00 0.45 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 3gr9 h ASP 13 CO 0.00 -0.24 0.85 -0.07 -1.72 0.00 0.00 179.24 178.06 3gr9 h LEU 14 N -0.02 0.00 0.00 1.55 4.07 -1.97 0.82 115.31 119.76 3gr9 h LEU 14 Ca 0.33 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.22 3gr9 h LEU 14 Cb 0.52 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 3gr9 h LEU 14 CO -0.72 0.00 -0.50 -0.33 -1.08 0.00 0.00 178.44 175.81 3gr9 h GLU 15 N 0.00 0.00 -0.91 1.13 3.07 -1.54 -2.55 114.58 113.77 3gr9 h GLU 15 Ca 0.51 0.00 0.25 0.00 -0.50 0.00 0.00 59.36 59.62 3gr9 h GLU 15 Cb 2.21 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.97 3gr9 h GLU 15 CO -0.01 0.49 0.33 1.88 -1.40 0.00 0.00 179.01 180.30 3gr9 h TYR 16 N -1.00 0.51 -0.24 4.33 -1.99 -1.10 0.66 116.97 118.13 3gr9 h TYR 16 Ca -0.10 0.05 0.05 0.00 2.00 0.00 0.00 58.73 60.73 3gr9 h TYR 16 Cb 0.72 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 39.32 3gr9 h TYR 16 CO 0.02 -0.19 -0.05 -0.22 -0.00 0.00 0.00 178.16 177.73 3gr9 h LYS 17 N 0.25 0.01 0.00 4.88 3.64 0.57 -1.06 116.57 124.87 3gr9 h LYS 17 Ca 0.60 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.93 3gr9 h LYS 17 Cb 1.24 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 3gr9 h LYS 17 CO -0.64 0.01 -0.21 0.00 -2.27 0.00 0.00 179.45 176.35 3gr9 h ALA 18 N 1.24 1.49 -0.38 5.00 0.00 0.67 -0.88 119.26 126.39 3gr9 h ALA 18 Ca 0.12 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3gr9 h ALA 18 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3gr9 h ALA 18 CO -0.24 0.26 -0.22 0.82 0.00 0.00 0.00 179.25 179.86 3gr9 h ILE 19 N 0.00 1.27 -0.39 0.00 2.04 0.28 -2.60 117.51 118.11 3gr9 h ILE 19 Ca -0.00 -1.33 -0.14 0.00 1.00 0.00 0.00 64.86 64.39 3gr9 h ILE 19 Cb 0.41 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3gr9 h ILE 19 CO 0.03 0.44 -0.32 -0.61 0.00 0.00 0.00 178.15 177.69 3gr9 h GLN 20 N 0.65 0.90 -0.99 2.37 5.75 -0.48 -2.42 115.11 120.90 3gr9 h GLN 20 Ca 0.09 -0.45 0.19 0.00 -0.15 0.00 0.00 58.65 58.33 3gr9 h GLN 20 Cb 0.73 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.17 3gr9 h GLN 20 CO 0.06 1.10 0.60 1.03 -2.65 0.00 0.00 178.83 178.97 3gr9 h SER 21 N 0.72 0.76 0.78 -0.69 0.87 -0.95 -0.23 113.55 114.81 3gr9 h SER 21 Ca 0.07 0.10 -0.17 0.00 -1.23 0.00 0.00 61.79 60.56 3gr9 h SER 21 Cb 0.91 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 3gr9 h SER 21 CO 0.08 0.26 -0.79 0.58 -0.53 0.00 0.00 176.83 176.43 3gr9 h VAL 22 N 0.74 1.56 0.10 2.23 2.07 -1.27 -2.76 116.25 118.93 3gr9 h VAL 22 Ca 0.58 -2.71 -0.29 0.00 0.82 0.00 0.00 66.70 65.11 3gr9 h VAL 22 Cb 0.91 2.46 0.02 0.00 -1.52 0.00 0.00 31.29 33.16 3gr9 h VAL 22 CO -0.39 0.77 -1.20 -0.07 0.02 0.00 0.00 177.57 176.70 3gr9 h LEU 23 N 0.01 0.80 -0.22 2.57 3.38 -0.58 -1.47 115.31 119.79 3gr9 h LEU 23 Ca -0.01 -0.73 -0.07 0.00 0.09 0.00 0.00 57.88 57.16 3gr9 h LEU 23 Cb 1.40 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3gr9 h LEU 23 CO 0.10 1.54 -0.15 0.44 0.09 0.00 0.00 178.44 180.46 3gr9 h ASP 24 N 0.26 0.52 -0.66 -0.43 3.32 -1.40 -2.19 116.42 115.84 3gr9 h ASP 24 Ca -0.17 -0.44 0.19 0.00 0.02 0.00 0.00 57.03 56.64 3gr9 h ASP 24 Cb 1.87 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 41.25 3gr9 h ASP 24 CO 0.22 0.84 0.69 0.77 -1.72 0.00 0.00 179.24 180.05 3gr9 h SER 25 N 0.20 0.00 0.00 6.45 4.64 -1.34 -3.44 113.55 120.06 3gr9 h SER 25 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3gr9 h SER 25 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3gr9 h SER 25 CO 0.04 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.17 3gr9 n LYS 26 N -3.65 -0.49 -3.55 4.77 3.00 -0.57 -4.86 118.16 112.81 3gr9 n LYS 26 Ca 0.14 0.12 -0.41 0.00 -0.00 0.00 0.00 58.31 58.16 3gr9 n LYS 26 Cb 0.92 -4.44 -0.06 0.00 0.00 0.00 0.00 35.03 31.45 3gr9 n LYS 26 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 3gr9 s MET 27 N -1.18 3.09 0.20 1.64 -1.94 -1.25 -4.96 119.30 114.90 3gr9 s MET 27 Ca 0.00 -2.61 0.26 0.00 -1.71 0.00 0.00 55.69 51.63 3gr9 s MET 27 Cb 0.00 -4.05 0.68 0.00 2.01 0.00 0.00 34.83 33.47 3gr9 s MET 27 CO 0.00 -1.23 1.66 0.74 -0.01 0.00 0.00 175.02 176.18 3gr9 h PHE 28 N 7.19 0.00 -2.74 -0.03 0.04 -1.89 -3.46 116.94 116.05 3gr9 h PHE 28 Ca 0.06 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.37 3gr9 h PHE 28 Cb 0.97 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.15 3gr9 h PHE 28 CO 0.84 0.00 -0.08 0.95 -0.60 0.00 0.00 178.31 179.42 3gr9 s THR 29 N -3.12 3.78 -0.06 -1.55 -4.23 -1.26 -3.05 115.64 106.15 3gr9 s THR 29 Ca 0.09 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 59.81 3gr9 s THR 29 Cb 0.12 -3.41 -0.14 0.00 1.34 0.00 0.00 72.50 70.41 3gr9 s THR 29 CO 0.63 -0.29 0.83 0.80 -0.54 0.00 0.00 174.62 176.05 3gr9 n MET 30 N -2.14 0.00 0.00 3.99 1.56 -1.25 -4.21 117.12 115.07 3gr9 n MET 30 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.45 3gr9 n MET 30 Cb 0.58 -1.07 0.00 0.00 2.15 0.00 0.00 33.22 34.88 3gr9 n MET 30 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3gr9 n GLY 31 N 1.39 2.50 0.15 -5.12 0.00 -1.26 -4.93 105.19 97.92 3gr9 n GLY 31 Ca 0.16 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 0.44 -0.68 1.61 4.39 -1.96 -0.66 114.58 117.72 3gr9 h GLU 32 Ca 0.00 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.38 3gr9 h GLU 32 Cb 0.00 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 3gr9 h GLU 32 CO 0.00 0.94 0.44 1.88 -1.16 0.00 0.00 179.01 181.12 3gr9 h TYR 33 N 0.01 0.85 0.40 4.33 0.05 -1.94 0.41 116.97 121.08 3gr9 h TYR 33 Ca -0.01 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 3gr9 h TYR 33 Cb 0.98 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.44 3gr9 h TYR 33 CO 0.11 0.54 -0.19 0.28 -1.05 0.00 0.00 178.16 177.85 3gr9 h VAL 34 N 0.92 0.52 -0.97 -2.88 2.07 -1.78 -1.68 116.25 112.45 3gr9 h VAL 34 Ca 0.25 -0.54 0.16 0.00 0.82 0.00 0.00 66.70 67.39 3gr9 h VAL 34 Cb -0.10 0.74 -0.16 0.00 -1.52 0.00 0.00 31.29 30.25 3gr9 h VAL 34 CO -0.05 0.09 -0.37 0.50 0.02 0.00 0.00 177.57 177.75 3gr9 h LYS 35 N -0.88 -0.01 -0.65 1.57 3.64 -0.70 0.13 116.57 119.67 3gr9 h LYS 35 Ca -0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3gr9 h LYS 35 Cb 0.55 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 3gr9 h LYS 35 CO 0.09 -0.01 0.30 0.37 -2.27 0.00 0.00 179.45 177.94 3gr9 h GLN 36 N -0.01 0.92 -0.04 1.90 5.75 -0.89 -2.58 115.11 120.16 3gr9 h GLN 36 Ca 0.35 -0.12 -0.12 0.00 -0.15 0.00 0.00 58.65 58.61 3gr9 h GLN 36 Cb 0.61 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 3gr9 h GLN 36 CO -0.97 0.72 -0.52 -0.92 -2.65 0.00 0.00 178.83 174.49 3gr9 h TYR 37 N 0.92 0.13 0.77 3.99 3.20 0.20 -3.12 116.97 123.06 3gr9 h TYR 37 Ca 0.23 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 3gr9 h TYR 37 Cb 0.11 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.36 3gr9 h TYR 37 CO 0.01 0.60 -0.37 0.93 -1.64 0.00 0.00 178.16 177.69 3gr9 h GLU 38 N 0.08 -1.00 -0.93 1.82 5.08 -0.91 -1.99 114.58 116.73 3gr9 h GLU 38 Ca -0.00 0.07 0.27 0.00 -1.00 0.00 0.00 59.36 58.70 3gr9 h GLU 38 Cb 0.95 0.23 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 3gr9 h GLU 38 CO 0.07 -0.67 0.33 1.15 -1.00 0.00 0.00 179.01 178.90 3gr9 h THR 39 N -1.27 0.28 -0.29 1.13 2.02 -1.56 0.57 112.91 113.79 3gr9 h THR 39 Ca -0.11 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 3gr9 h THR 39 Cb 0.79 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3gr9 h THR 39 CO 0.17 0.04 0.02 1.56 0.37 0.00 0.00 175.52 177.68 3gr9 h GLN 40 N 0.22 0.50 -0.31 6.66 1.08 -1.51 -1.82 115.11 119.92 3gr9 h GLN 40 Ca 0.62 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 3gr9 h GLN 40 Cb 1.33 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.69 3gr9 h GLN 40 CO -0.66 0.63 0.21 0.35 -0.95 0.00 0.00 178.83 178.40 3gr9 h PHE 41 N 0.30 0.39 0.05 2.96 3.57 0.68 0.58 116.94 125.47 3gr9 h PHE 41 Ca 0.08 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3gr9 h PHE 41 Cb 0.39 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 3gr9 h PHE 41 CO 0.03 0.25 -0.51 0.00 -2.23 0.00 0.00 178.31 175.85 3gr9 h ALA 42 N 1.11 -0.91 -0.38 2.41 0.00 -0.18 -2.62 119.26 118.70 3gr9 h ALA 42 Ca 0.11 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3gr9 h ALA 42 Cb -0.05 0.89 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 3gr9 h ALA 42 CO -0.03 -1.09 -0.34 0.87 0.00 0.00 0.00 179.25 178.67 3gr9 h LYS 43 N -0.69 -0.26 -0.95 0.00 6.56 -0.87 -2.17 116.57 118.19 3gr9 h LYS 43 Ca 0.01 0.02 0.27 0.00 -1.06 0.00 0.00 60.65 59.89 3gr9 h LYS 43 Cb 0.73 0.06 -0.14 0.00 -0.57 0.00 0.00 32.23 32.31 3gr9 h LYS 43 CO -0.33 -0.18 0.44 1.15 -2.06 0.00 0.00 179.45 178.48 3gr9 h THR 44 N -0.27 0.35 -0.01 -0.16 2.02 0.52 -2.91 112.91 112.45 3gr9 h THR 44 Ca 0.16 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3gr9 h THR 44 Cb 0.55 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3gr9 h THR 44 CO -0.53 0.06 -0.63 0.49 0.37 0.00 0.00 175.52 175.28 3gr9 n PHE 45 N -5.09 0.00 -1.37 3.16 3.72 -0.94 -4.97 117.46 111.97 3gr9 n PHE 45 Ca 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 3gr9 n PHE 45 Cb 0.82 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 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 1.39 0.79 3.29 1.37 0.00 -1.09 -4.18 105.19 106.76 3gr9 n GLY 46 Ca 0.07 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.44 2.62 -0.02 1.61 0.15 -0.86 -5.01 113.70 109.75 3gr9 s SER 47 Ca 0.00 -0.64 -0.21 0.00 0.70 0.00 0.00 55.95 55.80 3gr9 s SER 47 Cb 0.00 -0.17 -0.13 0.00 -1.71 0.00 0.00 66.02 64.01 3gr9 s SER 47 CO 0.00 0.11 0.91 0.11 1.20 0.00 0.00 173.24 175.57 3gr9 h LYS 48 N 4.33 -0.56 -6.20 5.44 6.56 -1.84 -3.37 116.57 120.93 3gr9 h LYS 48 Ca -0.46 0.04 -0.57 0.00 -1.06 0.00 0.00 60.65 58.60 3gr9 h LYS 48 Cb 1.17 0.13 -0.11 0.00 -0.57 0.00 0.00 32.23 32.85 3gr9 h LYS 48 CO 0.41 -0.28 -0.68 0.71 -2.06 0.00 0.00 179.45 177.55 3gr9 s TYR 49 N -3.96 2.57 -0.16 -1.35 1.51 0.38 -4.87 117.35 111.47 3gr9 s TYR 49 Ca -0.12 -0.26 -0.16 0.00 -1.01 0.00 0.00 57.07 55.53 3gr9 s TYR 49 Cb 0.01 -1.14 0.04 0.00 -0.11 0.00 0.00 41.96 40.76 3gr9 s TYR 49 CO 0.38 0.65 0.45 0.00 -1.11 0.00 0.00 175.55 175.92 3gr9 s ALA 50 N -2.39 -1.11 -0.06 3.71 0.00 -1.26 -1.40 121.76 119.25 3gr9 s ALA 50 Ca 0.31 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.53 3gr9 s ALA 50 Cb -0.06 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.38 3gr9 s ALA 50 CO 0.18 -0.22 -0.08 0.08 0.00 0.00 0.00 175.76 175.73 3gr9 s VAL 51 N 0.17 0.86 0.15 0.00 1.01 -0.00 -4.83 120.40 117.75 3gr9 s VAL 51 Ca -0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 3gr9 s VAL 51 Cb -0.03 -0.84 -0.07 0.00 0.00 0.00 0.00 36.38 35.44 3gr9 s VAL 51 CO 0.01 0.30 0.53 -0.32 0.00 0.00 0.00 175.10 175.62 3gr9 s MET 52 N 0.98 3.91 0.39 2.72 1.75 -1.26 -0.98 119.30 126.82 3gr9 s MET 52 Ca -0.09 0.40 0.03 0.00 -1.25 0.00 0.00 55.69 54.78 3gr9 s MET 52 Cb -0.15 -2.88 -0.03 0.00 2.84 0.00 0.00 34.83 34.61 3gr9 s MET 52 CO 0.00 0.46 0.10 0.14 -0.65 0.00 0.00 175.02 175.07 3gr9 s VAL 53 N -1.53 0.81 0.46 10.11 -7.23 -0.51 -4.55 120.40 117.96 3gr9 s VAL 53 Ca 0.39 -2.00 0.12 0.00 -1.81 0.00 0.00 61.98 58.68 3gr9 s VAL 53 Cb -0.14 -2.45 0.26 0.00 0.56 0.00 0.00 36.38 34.60 3gr9 s VAL 53 CO 0.19 0.00 2.09 0.77 -0.31 0.00 0.00 175.10 177.84 3gr9 h SER 54 N 1.84 0.22 -5.07 4.85 4.64 -0.38 -1.73 113.55 117.93 3gr9 h SER 54 Ca -0.38 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 60.99 3gr9 h SER 54 Cb 1.27 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 3gr9 h SER 54 CO 0.62 0.18 0.30 -0.94 -0.87 0.00 0.00 176.83 176.12 3gr9 s SER 55 N -6.89 -0.12 0.30 4.97 1.04 -1.26 -1.65 113.70 110.10 3gr9 s SER 55 Ca -0.06 -0.81 0.13 0.00 0.48 0.00 0.00 55.95 55.69 3gr9 s SER 55 Cb 0.17 0.74 0.44 0.00 0.10 0.00 0.00 66.02 67.47 3gr9 s SER 55 CO 0.70 -1.41 1.64 1.23 0.98 0.00 0.00 173.24 176.38 3gr9 h GLY 56 N 2.00 0.00 0.76 7.32 0.00 -1.75 -1.30 103.07 110.09 3gr9 h GLY 56 Ca -0.26 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3gr9 h GLY 56 CO 0.32 0.00 -0.01 1.76 0.00 0.00 0.00 176.54 178.61 3gr9 h SER 57 N 0.00 0.20 0.35 0.19 0.02 -1.91 0.13 113.55 112.53 3gr9 h SER 57 Ca -0.01 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 3gr9 h SER 57 Cb 1.06 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3gr9 h SER 57 CO 0.07 0.48 -0.35 0.71 -1.14 0.00 0.00 176.83 176.60 3gr9 h THR 58 N -0.07 1.24 -0.39 -2.27 1.35 -1.91 -2.10 112.91 108.75 3gr9 h THR 58 Ca 0.03 -1.19 -0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3gr9 h THR 58 Cb 0.38 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 3gr9 h THR 58 CO 0.01 0.34 0.24 0.00 -0.25 0.00 0.00 175.52 175.86 3gr9 h ALA 59 N 1.65 0.50 -0.35 6.62 0.00 -0.44 -1.42 119.26 125.82 3gr9 h ALA 59 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3gr9 h ALA 59 Cb 0.62 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3gr9 h ALA 59 CO 0.04 -0.02 0.12 -0.91 0.00 0.00 0.00 179.25 178.48 3gr9 h ASN 60 N 0.52 0.50 -0.03 0.00 4.21 -0.47 -1.43 115.58 118.88 3gr9 h ASN 60 Ca 0.14 -0.20 0.03 0.00 1.21 0.00 0.00 56.30 57.48 3gr9 h ASN 60 Cb -0.02 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 37.01 3gr9 h ASN 60 CO -0.03 0.57 -0.16 0.25 -1.29 0.00 0.00 177.43 176.77 3gr9 h LEU 61 N 0.41 -0.49 -1.96 1.61 5.85 -1.07 -1.51 115.31 118.16 3gr9 h LEU 61 Ca 0.11 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3gr9 h LEU 61 Cb 0.24 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 3gr9 h LEU 61 CO -0.00 -0.22 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.70 3gr9 h LEU 62 N -0.26 0.00 -0.27 2.25 4.07 -1.17 0.18 115.31 120.11 3gr9 h LEU 62 Ca 0.06 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 3gr9 h LEU 62 Cb 0.34 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 3gr9 h LEU 62 CO -0.18 0.10 -0.14 -0.03 -1.08 0.00 0.00 178.44 177.11 3gr9 h MET 63 N 0.00 0.57 -0.10 1.13 1.85 -0.36 -0.47 114.93 117.54 3gr9 h MET 63 Ca -0.00 -0.26 -0.05 0.00 -0.61 0.00 0.00 59.70 58.78 3gr9 h MET 63 Cb 0.21 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.23 3gr9 h MET 63 CO 0.01 0.82 -0.14 0.82 -0.40 0.00 0.00 176.91 178.03 3gr9 h ILE 64 N 0.30 1.38 -0.10 1.77 1.08 -0.63 -3.21 117.51 118.10 3gr9 h ILE 64 Ca 0.06 -1.36 0.04 0.00 -0.39 0.00 0.00 64.86 63.21 3gr9 h ILE 64 Cb 0.66 2.03 -0.06 0.00 -3.07 0.00 0.00 36.82 36.38 3gr9 h ILE 64 CO 0.04 0.39 -0.40 0.00 -0.69 0.00 0.00 178.15 177.49 3gr9 h ALA 65 N 0.55 -0.57 -0.72 1.87 0.00 -0.63 -2.82 119.26 116.94 3gr9 h ALA 65 Ca 0.01 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.09 3gr9 h ALA 65 Cb 0.69 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 19.09 3gr9 h ALA 65 CO 0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 179.25 178.31 3gr9 n ALA 66 N -2.91 0.29 0.05 0.00 0.00 -0.19 -0.34 120.51 117.41 3gr9 n ALA 66 Ca -0.04 0.79 0.21 0.00 0.00 0.00 0.00 53.44 54.40 3gr9 n ALA 66 Cb 0.36 -0.53 0.73 0.00 0.00 0.00 0.00 19.45 20.01 3gr9 n ALA 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gr9 h LEU 67 N 0.00 0.00 -0.25 0.00 3.38 -1.59 0.21 115.31 117.06 3gr9 h LEU 67 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3gr9 h LEU 67 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3gr9 h LEU 67 CO -0.71 0.00 -0.50 0.49 0.09 0.00 0.00 178.44 177.81 3gr9 n PHE 68 N -3.75 0.00 0.87 1.13 3.01 0.54 -0.03 117.46 119.22 3gr9 n PHE 68 Ca 0.09 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.64 3gr9 n PHE 68 Cb 0.69 -0.15 -0.04 0.00 -0.01 0.00 0.00 39.48 39.97 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 -1.09 0.00 -1.60 1.38 3.72 0.06 -4.68 117.46 115.25 3gr9 n PHE 69 Ca 0.08 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.08 3gr9 n PHE 69 Cb 0.35 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.92 3gr9 n PHE 69 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3gr9 n THR 70 N -0.61 2.88 -0.34 4.37 -2.24 -1.20 -4.77 114.28 112.37 3gr9 n THR 70 Ca 0.06 -0.50 0.18 0.00 -2.27 0.00 0.00 64.05 61.53 3gr9 n THR 70 Cb 0.36 -1.12 0.35 0.00 -2.10 0.00 0.00 70.33 67.83 3gr9 n THR 70 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gr9 n LYS 71 N -0.30 -0.08 -3.97 -0.78 4.01 -1.26 -1.50 118.16 114.28 3gr9 n LYS 71 Ca 0.11 1.47 -0.33 0.00 -0.51 0.00 0.00 58.31 59.05 3gr9 n LYS 71 Cb 0.43 -2.40 -0.14 0.00 -0.51 0.00 0.00 35.03 32.41 3gr9 n LYS 71 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 3gr9 s LYS 72 N -5.90 2.02 0.46 1.97 2.20 -1.26 -5.08 119.74 114.15 3gr9 s LYS 72 Ca -0.12 -1.56 -0.20 0.00 -0.36 0.00 0.00 55.97 53.72 3gr9 s LYS 72 Cb 0.30 -3.16 -0.12 0.00 -1.51 0.00 0.00 37.83 33.33 3gr9 s LYS 72 CO 0.78 -0.77 0.37 -0.35 -0.36 0.00 0.00 175.35 175.01 3gr9 n PRO 73 N 4.45 0.38 -0.04 4.03 -0.04 -0.56 -4.94 135.00 138.27 3gr9 n PRO 73 Ca -0.07 0.14 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 3gr9 n PRO 73 Cb 0.42 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 3gr9 n PRO 73 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gr9 n ARG 74 N 0.70 0.70 -4.44 0.54 5.12 0.95 -4.97 116.66 115.26 3gr9 n ARG 74 Ca 0.11 0.21 -0.22 0.00 -1.93 0.00 0.00 57.85 56.03 3gr9 n ARG 74 Cb 0.43 -1.67 -0.10 0.00 -1.16 0.00 0.00 32.46 29.96 3gr9 n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3gr9 s LEU 75 N -6.52 2.55 0.06 0.55 1.43 -1.19 -5.06 118.68 110.49 3gr9 s LEU 75 Ca -0.20 -1.15 -0.09 0.00 -1.03 0.00 0.00 54.13 51.67 3gr9 s LEU 75 Cb 0.07 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.54 3gr9 s LEU 75 CO 0.75 -0.25 0.18 -1.59 0.23 0.00 0.00 176.35 175.67 3gr9 s LYS 76 N -3.67 0.73 0.68 1.70 -2.85 -1.26 -4.63 119.74 110.44 3gr9 s LYS 76 Ca 0.29 -0.76 -0.17 0.00 -1.00 0.00 0.00 55.97 54.33 3gr9 s LYS 76 Cb 0.02 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 3gr9 s LYS 76 CO 0.12 -0.22 0.76 0.36 0.10 0.00 0.00 175.35 176.48 3gr9 n LYS 77 N 0.44 0.50 0.00 1.78 2.85 -1.26 -0.97 118.16 121.50 3gr9 n LYS 77 Ca -0.17 0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 3gr9 n LYS 77 Cb 0.60 -2.01 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 3gr9 n LYS 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gr9 n GLY 78 N 1.41 2.74 3.54 2.58 0.00 -0.50 -4.98 105.19 109.98 3gr9 n GLY 78 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 0.54 0.47 -4.78 1.61 8.00 -0.14 -3.65 116.55 118.59 3gr9 n ASP 79 Ca 0.00 1.08 -0.38 0.00 0.71 0.00 0.00 54.79 56.20 3gr9 n ASP 79 Cb 0.00 -1.22 -0.06 0.00 -0.02 0.00 0.00 41.12 39.82 3gr9 n ASP 79 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3gr9 s GLU 80 N -1.59 4.20 -0.00 -1.24 2.12 -1.26 0.60 118.70 121.53 3gr9 s GLU 80 Ca 0.61 0.59 0.04 0.00 0.36 0.00 0.00 54.97 56.58 3gr9 s GLU 80 Cb -0.67 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.39 3gr9 s GLU 80 CO 0.58 0.46 -0.14 -1.50 -0.54 0.00 0.00 175.26 174.13 3gr9 s ILE 81 N -0.44 1.08 -0.21 -3.70 2.07 0.17 -1.23 121.20 118.95 3gr9 s ILE 81 Ca 0.28 -0.65 -0.09 0.00 -1.41 0.00 0.00 60.65 58.78 3gr9 s ILE 81 Cb -0.17 -0.92 -0.05 0.00 0.13 0.00 0.00 42.46 41.45 3gr9 s ILE 81 CO 0.15 0.26 0.12 -0.63 -1.91 0.00 0.00 174.94 172.93 3gr9 s ILE 82 N -0.40 5.19 0.16 2.00 1.01 -0.76 -1.28 121.20 127.12 3gr9 s ILE 82 Ca 0.05 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.83 3gr9 s ILE 82 Cb -0.06 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 3gr9 s ILE 82 CO -0.00 0.42 -0.01 0.68 0.00 0.00 0.00 174.94 176.03 3gr9 s VAL 83 N 0.55 0.68 0.63 2.92 -7.23 -1.02 -1.62 120.40 115.31 3gr9 s VAL 83 Ca 0.06 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.17 3gr9 s VAL 83 Cb -0.12 -2.03 -0.00 0.00 0.56 0.00 0.00 36.38 34.79 3gr9 s VAL 83 CO 0.00 -0.55 0.99 -2.16 -0.31 0.00 0.00 175.10 173.07 3gr9 s PRO 84 N -3.90 3.08 0.00 4.82 0.04 -1.26 -1.93 135.00 135.85 3gr9 s PRO 84 Ca 0.22 0.33 0.10 0.00 0.04 0.00 0.00 61.00 61.69 3gr9 s PRO 84 Cb 0.06 -2.15 0.45 0.00 0.04 0.00 0.00 34.50 32.89 3gr9 s PRO 84 CO 0.02 -0.75 1.33 0.00 0.04 0.00 0.00 177.00 177.64 3gr9 n ALA 85 N -2.74 1.48 -3.69 8.56 0.00 -0.46 -4.71 120.51 118.95 3gr9 n ALA 85 Ca 0.05 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 3gr9 n ALA 85 Cb 0.57 -1.17 -0.17 0.00 0.00 0.00 0.00 19.45 18.68 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 -3.00 0.37 -0.93 0.00 1.01 -1.26 -0.94 120.40 115.66 3gr9 s VAL 86 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3gr9 s VAL 86 Cb 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 36.00 3gr9 s VAL 86 CO 0.19 0.21 0.00 -0.24 0.00 0.00 0.00 175.10 175.26 3gr9 n SER 87 N 4.37 0.00 -4.75 3.32 2.88 -1.26 -4.99 113.62 113.18 3gr9 n SER 87 Ca -0.21 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.93 3gr9 n SER 87 Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 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 -2.55 3.62 0.26 0.66 -0.11 -1.26 -4.33 118.94 115.23 3gr9 s TRP 88 Ca 0.00 1.68 -0.10 0.00 1.22 0.00 0.00 56.10 58.90 3gr9 s TRP 88 Cb 0.00 -3.26 0.39 0.00 -1.50 0.00 0.00 33.47 29.10 3gr9 s TRP 88 CO 0.00 -0.49 1.57 0.66 -4.62 0.00 0.00 176.95 174.07 3gr9 h SER 89 N 4.34 -0.91 0.00 5.86 4.64 -2.00 0.12 113.55 125.60 3gr9 h SER 89 Ca -0.46 0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3gr9 h SER 89 Cb 1.21 0.59 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 3gr9 h SER 89 CO 0.69 -0.30 0.00 0.35 -0.87 0.00 0.00 176.83 176.70 3gr9 n THR 90 N -5.57 0.00 0.08 2.95 -2.24 -1.26 -0.66 114.28 107.57 3gr9 n THR 90 Ca 0.14 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.82 3gr9 n THR 90 Cb 0.46 -0.94 0.01 0.00 -2.10 0.00 0.00 70.33 67.75 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 1.44 0.00 4.28 2.02 -1.12 -3.39 112.91 116.14 3gr9 h THR 91 Ca 0.00 -2.42 -0.02 0.00 0.77 0.00 0.00 66.41 64.74 3gr9 h THR 91 Cb 0.00 2.34 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3gr9 h THR 91 CO 0.00 0.71 -0.23 1.88 0.37 0.00 0.00 175.52 178.25 3gr9 h TYR 92 N 0.17 0.00 -0.61 3.16 0.05 -1.02 -3.41 116.97 115.31 3gr9 h TYR 92 Ca -0.04 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.84 3gr9 h TYR 92 Cb 1.43 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 39.07 3gr9 h TYR 92 CO 0.04 0.28 -0.21 0.66 -1.05 0.00 0.00 178.16 177.88 3gr9 n TYR 93 N -4.68 0.08 0.15 4.88 4.01 -1.18 -0.91 117.16 119.51 3gr9 n TYR 93 Ca -0.06 0.74 0.19 0.00 -0.16 0.00 0.00 57.90 58.61 3gr9 n TYR 93 Cb 0.20 -0.77 0.78 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.16 -0.72 0.11 -1.79 0.21 132.00 129.97 3gr9 h PRO 94 Ca 0.24 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.06 3gr9 h PRO 94 Cb 0.39 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.51 3gr9 h PRO 94 CO -0.61 0.00 -1.29 -0.07 -0.21 0.00 0.00 178.00 175.82 3gr9 h LEU 95 N 0.00 0.58 -0.76 2.35 3.38 -1.29 -0.47 115.31 119.10 3gr9 h LEU 95 Ca 0.15 -0.61 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 3gr9 h LEU 95 Cb 0.85 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3gr9 h LEU 95 CO -0.00 1.46 -0.34 -0.61 0.09 0.00 0.00 178.44 179.04 3gr9 h GLN 96 N 0.12 0.54 0.00 1.13 -0.00 -0.84 0.58 115.11 116.64 3gr9 h GLN 96 Ca -0.17 -0.25 -0.06 0.00 -0.00 0.00 0.00 58.65 58.17 3gr9 h GLN 96 Cb 2.00 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 29.46 3gr9 h GLN 96 CO 0.22 0.81 -0.31 1.96 0.00 0.00 0.00 178.83 181.52 3gr9 h GLN 97 N 0.46 0.00 -0.57 1.69 4.20 -0.61 -2.46 115.11 117.82 3gr9 h GLN 97 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3gr9 h GLN 97 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3gr9 h GLN 97 CO 0.07 0.31 0.00 0.66 -0.67 0.00 0.00 178.83 179.20 3gr9 n TYR 98 N -3.34 0.89 -3.43 2.96 4.02 -0.20 -4.97 117.16 113.09 3gr9 n TYR 98 Ca 0.01 -0.53 -0.17 0.00 -0.01 0.00 0.00 57.90 57.19 3gr9 n TYR 98 Cb 0.53 -0.06 0.08 0.00 -0.02 0.00 0.00 39.34 39.87 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 1.09 -0.47 3.98 2.72 0.00 -0.47 -4.67 105.19 107.37 3gr9 n GLY 99 Ca 0.20 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 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 -6.26 3.31 -0.24 0.99 1.43 0.07 -1.40 118.68 116.58 3gr9 s LEU 100 Ca 0.06 -0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 53.01 3gr9 s LEU 100 Cb -0.01 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 3gr9 s LEU 100 CO 0.74 -1.11 0.13 -0.60 0.23 0.00 0.00 176.35 175.74 3gr9 s ARG 101 N -4.72 3.91 -0.22 1.70 6.06 0.20 -4.52 118.95 121.36 3gr9 s ARG 101 Ca 0.57 -0.35 -0.10 0.00 -2.50 0.00 0.00 55.73 53.35 3gr9 s ARG 101 Cb -0.10 -3.46 -0.05 0.00 0.06 0.00 0.00 34.95 31.40 3gr9 s ARG 101 CO 0.38 -0.03 0.15 0.08 -2.50 0.00 0.00 175.30 173.38 3gr9 s VAL 102 N 1.27 5.38 -0.23 7.11 1.01 0.98 0.44 120.40 136.35 3gr9 s VAL 102 Ca 0.06 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.26 3gr9 s VAL 102 Cb -0.14 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.79 3gr9 s VAL 102 CO 0.05 0.38 -0.10 -0.75 0.00 0.00 0.00 175.10 174.69 3gr9 s LYS 103 N 0.77 2.03 0.36 2.72 2.20 -0.40 0.77 119.74 128.19 3gr9 s LYS 103 Ca 0.08 -1.06 -0.08 0.00 -0.36 0.00 0.00 55.97 54.55 3gr9 s LYS 103 Cb -0.12 -2.64 -0.06 0.00 -1.51 0.00 0.00 37.83 33.49 3gr9 s LYS 103 CO 0.02 -0.52 0.69 -0.06 -0.36 0.00 0.00 175.35 175.12 3gr9 s PHE 104 N 1.29 3.47 -0.01 4.03 0.40 -0.57 -2.42 117.98 124.17 3gr9 s PHE 104 Ca -0.05 0.88 0.04 0.00 -0.60 0.00 0.00 56.93 57.20 3gr9 s PHE 104 Cb -0.18 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 41.03 3gr9 s PHE 104 CO -0.07 -0.00 -0.13 0.08 0.70 0.00 0.00 175.22 175.80 3gr9 s VAL 105 N -2.27 0.99 1.29 -0.44 1.01 -0.81 -0.64 120.40 119.53 3gr9 s VAL 105 Ca 0.48 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 3gr9 s VAL 105 Cb -0.10 -0.83 0.33 0.00 0.00 0.00 0.00 36.38 35.77 3gr9 s VAL 105 CO 0.31 0.27 0.98 -0.62 0.00 0.00 0.00 175.10 176.03 3gr9 s ASP 106 N -0.33 -0.06 0.12 3.32 2.15 -1.26 -1.35 116.67 119.26 3gr9 s ASP 106 Ca 0.05 1.30 0.01 0.00 0.43 0.00 0.00 52.55 54.34 3gr9 s ASP 106 Cb -0.05 -1.97 0.01 0.00 -0.30 0.00 0.00 42.92 40.62 3gr9 s ASP 106 CO -0.00 -4.81 0.12 2.30 -0.17 0.00 0.00 175.17 172.61 3gr9 n ILE 107 N -5.30 0.00 -3.93 4.11 -6.64 -1.26 -2.16 119.36 104.17 3gr9 n ILE 107 Ca 0.06 -0.44 -0.35 0.00 -1.77 0.00 0.00 62.75 60.24 3gr9 n ILE 107 Cb 0.56 -0.61 -0.13 0.00 -1.44 0.00 0.00 39.64 38.02 3gr9 n ILE 107 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3gr9 s ASP 108 N -1.72 4.63 0.45 7.28 -1.08 0.22 -4.23 116.67 122.23 3gr9 s ASP 108 Ca 0.09 -0.30 0.27 0.00 -0.52 0.00 0.00 52.55 52.10 3gr9 s ASP 108 Cb -0.01 -1.80 1.46 0.00 -1.46 0.00 0.00 42.92 41.11 3gr9 s ASP 108 CO 0.06 0.00 1.81 -0.29 0.52 0.00 0.00 175.17 177.27 3gr9 h ILE 109 N 5.58 0.00 0.00 4.11 6.09 -1.94 0.91 117.51 132.26 3gr9 h ILE 109 Ca -0.39 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 62.96 3gr9 h ILE 109 Cb 1.17 0.60 -0.02 0.00 0.47 0.00 0.00 36.82 39.04 3gr9 h ILE 109 CO 0.60 0.00 -1.08 0.59 -3.07 0.00 0.00 178.15 175.19 3gr9 n ASN 110 N -2.50 1.86 0.08 2.19 4.13 -1.26 -4.49 115.26 115.27 3gr9 n ASN 110 Ca -0.02 0.49 -0.02 0.00 1.68 0.00 0.00 54.58 56.71 3gr9 n ASN 110 Cb 0.13 -0.88 -0.06 0.00 -1.54 0.00 0.00 39.78 37.43 3gr9 n ASN 110 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 3gr9 h THR 111 N -1.00 1.08 0.00 3.41 1.35 -1.76 0.25 112.91 116.24 3gr9 h THR 111 Ca -0.21 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 3gr9 h THR 111 Cb 0.98 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 3gr9 h THR 111 CO -0.12 0.61 0.00 0.18 -0.25 0.00 0.00 175.52 175.94 3gr9 n LEU 112 N -3.19 0.14 -4.99 3.87 4.77 0.31 -4.66 117.00 113.25 3gr9 n LEU 112 Ca -0.03 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 3gr9 n LEU 112 Cb 0.85 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 41.51 3gr9 n LEU 112 CO 0.43 -0.10 0.41 0.20 -1.33 0.00 0.00 177.39 177.00 3gr9 s ASN 113 N -2.44 4.96 0.33 -1.43 0.01 -1.26 -4.60 114.94 110.52 3gr9 s ASN 113 Ca 0.00 -0.29 -0.28 0.00 -0.71 0.00 0.00 52.86 51.59 3gr9 s ASN 113 Cb 0.00 -0.39 -0.13 0.00 0.41 0.00 0.00 41.25 41.14 3gr9 s ASN 113 CO 0.00 -1.39 1.17 0.00 -1.51 0.00 0.00 177.10 175.37 3gr9 n ILE 114 N -2.46 2.04 -2.70 0.60 3.06 -1.26 0.71 119.36 119.36 3gr9 n ILE 114 Ca 0.12 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.44 3gr9 n ILE 114 Cb 0.60 -1.34 -0.02 0.00 0.54 0.00 0.00 39.64 39.42 3gr9 n ILE 114 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3gr9 s ASP 115 N -0.43 7.08 0.09 9.51 2.15 -0.92 -4.50 116.67 129.65 3gr9 s ASP 115 Ca 0.57 1.35 -0.31 0.00 0.43 0.00 0.00 52.55 54.59 3gr9 s ASP 115 Cb -0.61 -2.53 -0.14 0.00 -0.30 0.00 0.00 42.92 39.34 3gr9 s ASP 115 CO 0.61 -0.62 1.62 0.40 -0.17 0.00 0.00 175.17 177.01 3gr9 h ILE 116 N 5.40 0.29 -0.92 4.11 2.04 -1.92 -0.43 117.51 126.09 3gr9 h ILE 116 Ca -0.21 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.83 3gr9 h ILE 116 Cb 1.07 0.29 -0.11 0.00 -0.74 0.00 0.00 36.82 37.34 3gr9 h ILE 116 CO 0.95 0.00 0.50 -0.08 0.00 0.00 0.00 178.15 179.52 3gr9 h GLU 117 N -0.74 0.61 0.15 2.37 4.57 -2.00 0.23 114.58 119.77 3gr9 h GLU 117 Ca -0.03 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3gr9 h GLU 117 Cb 0.65 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3gr9 h GLU 117 CO -0.03 0.40 -0.07 0.77 -1.18 0.00 0.00 179.01 178.90 3gr9 h SER 118 N 0.63 -0.17 -0.57 1.04 0.02 -1.89 -2.91 113.55 109.70 3gr9 h SER 118 Ca 0.53 -0.34 0.16 0.00 -0.84 0.00 0.00 61.79 61.30 3gr9 h SER 118 Cb 0.83 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 3gr9 h SER 118 CO -0.40 0.29 0.41 0.25 -1.14 0.00 0.00 176.83 176.24 3gr9 h LEU 119 N -0.69 0.03 -0.39 5.07 5.85 -0.53 0.56 115.31 125.21 3gr9 h LEU 119 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3gr9 h LEU 119 Cb 0.50 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3gr9 h LEU 119 CO 0.03 0.02 0.19 0.50 -0.34 0.00 0.00 178.44 178.84 3gr9 h LYS 120 N 0.03 0.56 0.00 1.25 3.64 -0.38 -0.15 116.57 121.51 3gr9 h LYS 120 Ca 0.27 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3gr9 h LYS 120 Cb 1.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3gr9 h LYS 120 CO -0.01 0.48 -0.22 0.93 -2.27 0.00 0.00 179.45 178.36 3gr9 h GLU 121 N 0.49 0.00 -0.01 1.90 5.08 -0.56 -3.26 114.58 118.22 3gr9 h GLU 121 Ca 0.13 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.27 3gr9 h GLU 121 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3gr9 h GLU 121 CO -0.02 0.22 -0.93 0.00 -1.00 0.00 0.00 179.01 177.28 3gr9 h ALA 122 N 1.78 0.36 -2.35 3.43 0.00 0.82 -3.44 119.26 119.86 3gr9 h ALA 122 Ca -0.00 -0.70 -0.54 0.00 0.00 0.00 0.00 54.91 53.66 3gr9 h ALA 122 Cb 0.95 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3gr9 h ALA 122 CO 0.03 0.80 0.93 0.08 0.00 0.00 0.00 179.25 181.09 3gr9 s VAL 123 N -3.30 3.58 0.41 0.00 1.01 -0.15 -4.96 120.40 117.00 3gr9 s VAL 123 Ca -0.06 0.92 0.04 0.00 0.00 0.00 0.00 61.98 62.88 3gr9 s VAL 123 Cb 0.09 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3gr9 s VAL 123 CO 0.87 -0.02 0.15 -0.89 0.00 0.00 0.00 175.10 175.21 3gr9 s THR 124 N 2.88 0.49 -1.49 3.92 2.01 -1.26 -4.98 115.64 117.20 3gr9 s THR 124 Ca 0.67 -2.00 0.18 0.00 0.31 0.00 0.00 61.69 60.85 3gr9 s THR 124 Cb -0.33 -2.33 0.33 0.00 0.01 0.00 0.00 72.50 70.18 3gr9 s THR 124 CO 0.27 0.00 1.52 0.47 -0.69 0.00 0.00 174.62 176.19 3gr9 n ASP 125 N -1.41 0.00 0.02 3.53 8.00 -1.26 -2.38 116.55 123.05 3gr9 n ASP 125 Ca -0.05 -0.03 0.11 0.00 0.71 0.00 0.00 54.79 55.54 3gr9 n ASP 125 Cb 0.64 -0.26 0.06 0.00 -0.02 0.00 0.00 41.12 41.55 3gr9 n ASP 125 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gr9 n SER 126 N -1.26 0.64 -4.66 -2.24 3.41 -1.26 -4.93 113.62 103.32 3gr9 n SER 126 Ca 0.09 -0.31 -0.43 0.00 -0.26 0.00 0.00 58.87 57.96 3gr9 n SER 126 Cb 0.13 0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 64.74 3gr9 n SER 126 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gr9 s THR 127 N -3.13 4.27 -0.00 6.66 2.01 -1.00 -4.14 115.64 120.30 3gr9 s THR 127 Ca 0.06 1.54 0.11 0.00 0.31 0.00 0.00 61.69 63.70 3gr9 s THR 127 Cb 0.15 -3.99 -0.23 0.00 0.01 0.00 0.00 72.50 68.44 3gr9 s THR 127 CO 0.79 -0.13 0.82 0.50 -0.69 0.00 0.00 174.62 175.90 3gr9 h LYS 128 N 8.20 0.01 -2.26 4.92 1.63 -1.52 -3.40 116.57 124.15 3gr9 h LYS 128 Ca -0.27 -0.01 0.19 0.00 -0.85 0.00 0.00 60.65 59.71 3gr9 h LYS 128 Cb 1.11 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.66 3gr9 h LYS 128 CO 0.97 0.64 0.53 0.00 -3.45 0.00 0.00 179.45 178.14 3gr9 s ALA 129 N -2.63 -1.71 -0.21 5.00 0.00 -1.22 -0.88 121.76 120.12 3gr9 s ALA 129 Ca -0.03 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 3gr9 s ALA 129 Cb 0.08 0.62 0.08 0.00 0.00 0.00 0.00 23.12 23.91 3gr9 s ALA 129 CO 0.82 -1.05 0.16 0.42 0.00 0.00 0.00 175.76 176.11 3gr9 s ILE 130 N -3.09 -0.20 -0.70 0.00 1.01 0.18 -1.83 121.20 116.57 3gr9 s ILE 130 Ca 0.13 -0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.33 3gr9 s ILE 130 Cb -0.01 -0.70 0.09 0.00 0.01 0.00 0.00 42.46 41.86 3gr9 s ILE 130 CO 0.02 -0.33 0.93 -0.22 0.00 0.00 0.00 174.94 175.35 3gr9 s LEU 131 N 2.22 4.81 0.59 2.97 0.20 -0.64 -0.71 118.68 128.12 3gr9 s LEU 131 Ca 0.05 -1.35 -0.09 0.00 0.69 0.00 0.00 54.13 53.43 3gr9 s LEU 131 Cb -0.16 -2.38 -0.03 0.00 -0.43 0.00 0.00 46.19 43.19 3gr9 s LEU 131 CO -0.16 -1.27 0.96 0.42 -0.29 0.00 0.00 176.35 176.01 3gr9 s THR 132 N 3.38 4.50 -0.23 3.68 -4.23 0.26 -4.43 115.64 118.57 3gr9 s THR 132 Ca 0.22 0.55 -0.02 0.00 -1.18 0.00 0.00 61.69 61.26 3gr9 s THR 132 Cb -0.16 -3.78 0.07 0.00 1.34 0.00 0.00 72.50 69.97 3gr9 s THR 132 CO 0.05 -0.93 0.03 -0.69 -0.54 0.00 0.00 174.62 172.54 3gr9 s VAL 133 N -3.07 0.76 -0.65 2.29 1.01 -1.26 0.91 120.40 120.40 3gr9 s VAL 133 Ca 0.53 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 3gr9 s VAL 133 Cb -0.11 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 3gr9 s VAL 133 CO 0.50 -0.30 1.64 0.20 0.00 0.00 0.00 175.10 177.15 3gr9 s ASN 134 N 1.73 5.63 0.05 3.32 0.01 -1.23 -4.71 114.94 119.73 3gr9 s ASN 134 Ca 0.00 0.09 -0.29 0.00 -0.71 0.00 0.00 52.86 51.96 3gr9 s ASN 134 Cb -0.17 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 38.90 3gr9 s ASN 134 CO -0.12 -2.15 0.92 -0.22 -1.51 0.00 0.00 177.10 174.03 3gr9 s LEU 135 N 7.75 4.43 -1.94 0.60 2.96 -1.06 -4.19 118.68 127.23 3gr9 s LEU 135 Ca 0.56 1.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 3gr9 s LEU 135 Cb -0.11 -3.49 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3gr9 s LEU 135 CO 0.19 -0.13 0.00 0.18 -1.32 0.00 0.00 176.35 175.27 3gr9 n LEU 136 N 3.28 -1.62 0.00 -0.68 4.77 -1.26 -0.41 117.00 121.07 3gr9 n LEU 136 Ca 0.03 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3gr9 n LEU 136 Cb 0.50 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.80 3gr9 n LEU 136 CO 0.51 -0.68 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 3gr9 n GLY 137 N -0.64 3.39 3.68 -0.72 0.00 -1.03 -1.37 105.19 108.50 3gr9 n GLY 137 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.68 6.93 0.63 1.61 2.47 0.45 -1.34 114.94 125.01 3gr9 s ASN 138 Ca 0.00 1.90 -0.11 0.00 0.42 0.00 0.00 52.86 55.07 3gr9 s ASN 138 Cb 0.00 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.21 3gr9 s ASN 138 CO 0.00 -0.70 1.03 -2.16 -3.72 0.00 0.00 177.10 171.56 3gr9 s PRO 139 N 2.75 3.53 0.37 0.43 0.05 -1.26 -2.58 135.00 138.28 3gr9 s PRO 139 Ca 0.59 0.75 -0.07 0.00 0.05 0.00 0.00 61.00 62.32 3gr9 s PRO 139 Cb -0.27 -2.07 -0.05 0.00 0.05 0.00 0.00 34.50 32.16 3gr9 s PRO 139 CO 0.22 -0.62 0.68 -0.80 0.05 0.00 0.00 177.00 176.52 3gr9 s ASN 140 N -4.16 6.45 -1.43 6.66 0.01 -1.26 -4.72 114.94 116.48 3gr9 s ASN 140 Ca 0.55 0.91 -0.15 0.00 -0.71 0.00 0.00 52.86 53.47 3gr9 s ASN 140 Cb -0.11 -2.23 0.05 0.00 0.41 0.00 0.00 41.25 39.36 3gr9 s ASN 140 CO 0.54 -0.34 2.14 -3.20 -1.51 0.00 0.00 177.10 174.73 3gr9 n ASN 141 N -1.31 4.06 0.00 -1.22 2.85 -1.26 -4.75 115.26 113.63 3gr9 n ASN 141 Ca 0.00 -2.85 0.00 0.00 -0.11 0.00 0.00 54.58 51.62 3gr9 n ASN 141 Cb 0.54 -1.68 0.00 0.00 1.24 0.00 0.00 39.78 39.89 3gr9 n ASN 141 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3gr9 n PHE 142 N 6.52 0.00 -0.01 1.20 3.72 -1.26 -1.23 117.46 126.40 3gr9 n PHE 142 Ca 0.51 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.70 3gr9 n PHE 142 Cb 0.40 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.81 3gr9 n PHE 142 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3gr9 h ASP 143 N 0.00 0.32 -0.14 4.37 3.32 -2.00 -3.26 116.42 119.03 3gr9 h ASP 143 Ca 0.00 -0.82 -0.01 0.00 0.02 0.00 0.00 57.03 56.22 3gr9 h ASP 143 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3gr9 h ASP 143 CO 0.00 1.64 0.04 -0.33 -1.72 0.00 0.00 179.24 178.86 3gr9 h GLU 144 N -0.36 0.22 0.38 3.56 4.39 -1.58 -2.21 114.58 118.98 3gr9 h GLU 144 Ca -0.33 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 3gr9 h GLU 144 Cb 1.73 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.33 3gr9 h GLU 144 CO 0.02 0.37 -0.36 0.82 -1.16 0.00 0.00 179.01 178.70 3gr9 h ILE 145 N 0.03 0.26 -0.65 3.13 1.08 -1.69 -0.32 117.51 119.34 3gr9 h ILE 145 Ca 0.04 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.67 3gr9 h ILE 145 Cb 0.25 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 3gr9 h ILE 145 CO 0.00 0.00 0.45 0.78 -0.69 0.00 0.00 178.15 178.69 3gr9 h ASN 146 N -0.76 0.15 1.37 1.72 4.21 -1.58 0.97 115.58 121.66 3gr9 h ASN 146 Ca -0.03 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3gr9 h ASN 146 Cb 0.68 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 3gr9 h ASN 146 CO -0.05 0.08 -0.03 0.29 -1.29 0.00 0.00 177.43 176.42 3gr9 n LYS 147 N -4.41 0.22 0.05 0.81 5.02 -0.78 -3.17 118.16 115.90 3gr9 n LYS 147 Ca 0.12 0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.50 3gr9 n LYS 147 Cb 0.61 -1.75 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 3gr9 n LYS 147 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3gr9 h ILE 148 N 0.00 0.62 -0.86 -0.18 2.04 0.27 -3.16 117.51 116.25 3gr9 h ILE 148 Ca 0.00 -1.12 0.34 0.00 1.00 0.00 0.00 64.86 65.08 3gr9 h ILE 148 Cb 0.70 1.08 -0.14 0.00 -0.74 0.00 0.00 36.82 37.73 3gr9 h ILE 148 CO 0.00 0.18 0.48 -0.38 0.00 0.00 0.00 178.15 178.43 3gr9 n ILE 149 N -4.91 -0.31 -3.72 -0.67 5.41 -0.69 -4.83 119.36 109.64 3gr9 n ILE 149 Ca -0.06 1.58 -0.28 0.00 1.00 0.00 0.00 62.75 64.99 3gr9 n ILE 149 Cb 0.23 -2.58 0.02 0.00 -0.71 0.00 0.00 39.64 36.60 3gr9 n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gr9 n GLY 150 N -1.25 -1.11 3.78 7.39 0.00 -1.19 -0.35 105.19 112.46 3gr9 n GLY 150 Ca 0.31 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -1.77 0.00 3.38 -0.02 0.00 -1.26 -4.89 105.19 100.62 3gr9 n GLY 151 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 3gr9 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gr9 n ARG 152 N -1.25 -1.63 -0.39 1.61 1.74 0.53 -4.87 116.66 112.39 3gr9 n ARG 152 Ca 0.00 -0.45 0.03 0.00 -0.77 0.00 0.00 57.85 56.66 3gr9 n ARG 152 Cb 0.00 -1.91 0.18 0.00 -1.02 0.00 0.00 32.46 29.70 3gr9 n ARG 152 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3gr9 n ASP 153 N -2.84 3.07 -4.71 0.55 8.00 -1.26 -4.90 116.55 114.45 3gr9 n ASP 153 Ca 0.03 -2.41 -0.42 0.00 0.71 0.00 0.00 54.79 52.70 3gr9 n ASP 153 Cb 0.58 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3gr9 n ASP 153 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gr9 s ILE 154 N -1.77 3.76 0.47 0.53 1.09 -1.26 -4.85 121.20 119.16 3gr9 s ILE 154 Ca 0.24 1.25 -0.15 0.00 -1.10 0.00 0.00 60.65 60.89 3gr9 s ILE 154 Cb 0.18 -3.80 -0.08 0.00 -1.06 0.00 0.00 42.46 37.70 3gr9 s ILE 154 CO 0.07 0.09 0.91 -0.63 -0.10 0.00 0.00 174.94 175.28 3gr9 s ILE 155 N 1.15 4.61 -0.08 2.92 1.01 -0.06 -4.88 121.20 125.87 3gr9 s ILE 155 Ca 0.61 1.03 0.01 0.00 0.00 0.00 0.00 60.65 62.30 3gr9 s ILE 155 Cb -0.32 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 3gr9 s ILE 155 CO 0.29 -0.60 -0.11 -0.22 0.00 0.00 0.00 174.94 174.31 3gr9 s LEU 156 N -3.91 2.92 0.08 2.97 2.96 -1.26 -0.65 118.68 121.79 3gr9 s LEU 156 Ca 0.56 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 3gr9 s LEU 156 Cb -0.10 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 3gr9 s LEU 156 CO 0.30 0.30 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.77 3gr9 s LEU 157 N -0.42 2.37 -0.04 -0.68 1.43 0.12 0.11 118.68 121.56 3gr9 s LEU 157 Ca 0.05 -0.75 0.04 0.00 -1.03 0.00 0.00 54.13 52.45 3gr9 s LEU 157 Cb -0.12 -0.27 -0.00 0.00 0.03 0.00 0.00 46.19 45.83 3gr9 s LEU 157 CO 0.02 -0.25 -0.18 -1.61 0.23 0.00 0.00 176.35 174.56 3gr9 s GLU 158 N -2.51 1.86 -0.80 1.70 2.02 -1.10 0.91 118.70 120.78 3gr9 s GLU 158 Ca 0.02 -0.64 -0.12 0.00 0.02 0.00 0.00 54.97 54.25 3gr9 s GLU 158 Cb -0.04 -1.61 0.21 0.00 0.10 0.00 0.00 34.13 32.78 3gr9 s GLU 158 CO -0.00 0.26 0.72 0.34 0.02 0.00 0.00 175.26 176.60 3gr9 s ASP 159 N 0.02 6.50 -0.17 -0.19 -1.08 0.26 -2.73 116.67 119.27 3gr9 s ASP 159 Ca -0.04 -2.77 0.04 0.00 -0.52 0.00 0.00 52.55 49.27 3gr9 s ASP 159 Cb -0.12 -2.14 0.37 0.00 -1.46 0.00 0.00 42.92 39.57 3gr9 s ASP 159 CO 0.02 -0.52 1.30 -3.20 0.52 0.00 0.00 175.17 173.29 3gr9 n ASN 160 N 3.82 3.37 0.27 -0.34 5.15 -0.70 -3.55 115.26 123.28 3gr9 n ASN 160 Ca 0.13 -2.64 0.13 0.00 -0.60 0.00 0.00 54.58 51.60 3gr9 n ASN 160 Cb 0.45 -0.63 0.78 0.00 -0.53 0.00 0.00 39.78 39.84 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 -3.78 1.56 -2.41 0.00 1.02 -1.26 -4.35 120.64 111.43 3gr9 n GLU 162 Ca -0.02 -1.15 -0.19 0.00 -0.02 0.00 0.00 57.16 55.78 3gr9 n GLU 162 Cb 0.18 -1.39 0.02 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.28 3.80 -4.74 1.62 7.64 -1.12 -2.47 113.62 118.63 3gr9 n SER 163 Ca 0.09 -3.31 -0.42 0.00 1.01 0.00 0.00 58.87 56.24 3gr9 n SER 163 Cb 0.44 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 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 -3.54 4.27 0.00 1.43 0.00 -1.24 -2.53 119.30 117.69 3gr9 s MET 164 Ca 0.43 2.27 0.00 0.00 0.00 0.00 0.00 55.69 58.39 3gr9 s MET 164 Cb 0.40 -3.13 0.00 0.00 0.00 0.00 0.00 34.83 32.10 3gr9 s MET 164 CO -0.05 -0.44 0.00 0.41 0.00 0.00 0.00 175.02 174.94 3gr9 n GLY 165 N 2.57 3.13 3.30 2.11 0.00 -1.26 -4.75 105.19 110.28 3gr9 n GLY 165 Ca 0.08 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 3gr9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gr9 n ALA 166 N 0.00 -3.10 -2.43 4.61 0.00 -1.05 -4.73 120.51 113.81 3gr9 n ALA 166 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.88 3gr9 n ALA 166 Cb 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 19.45 17.77 3gr9 n ALA 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gr9 s THR 167 N -2.10 0.07 -0.26 0.00 2.01 -0.28 -0.08 115.64 115.00 3gr9 s THR 167 Ca 0.55 -1.70 -0.04 0.00 0.31 0.00 0.00 61.69 60.81 3gr9 s THR 167 Cb -0.27 -2.03 0.14 0.00 0.01 0.00 0.00 72.50 70.34 3gr9 s THR 167 CO 0.69 -0.32 0.49 0.12 -0.69 0.00 0.00 174.62 174.91 3gr9 s PHE 168 N -4.03 -1.13 -1.17 4.92 5.36 -0.35 -1.79 117.98 119.79 3gr9 s PHE 168 Ca 0.23 1.46 -0.02 0.00 -0.96 0.00 0.00 56.93 57.64 3gr9 s PHE 168 Cb 0.05 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 3gr9 s PHE 168 CO 0.03 -0.71 0.99 0.09 -1.46 0.00 0.00 175.22 174.16 3gr9 n ASN 169 N 5.40 -3.05 -1.57 6.13 4.13 -1.26 -2.24 115.26 122.81 3gr9 n ASN 169 Ca -0.05 -0.57 -0.18 0.00 1.68 0.00 0.00 54.58 55.47 3gr9 n ASN 169 Cb 0.50 -4.86 -0.05 0.00 -1.54 0.00 0.00 39.78 33.82 3gr9 n ASN 169 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3gr9 n ASN 170 N -2.96 -5.12 -4.11 6.41 5.03 -1.26 -4.99 115.26 108.27 3gr9 n ASN 170 Ca -0.21 0.28 -0.24 0.00 0.87 0.00 0.00 54.58 55.28 3gr9 n ASN 170 Cb 0.64 -4.17 -0.16 0.00 -1.02 0.00 0.00 39.78 35.06 3gr9 n ASN 170 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3gr9 s LYS 171 N -3.96 1.47 0.30 3.52 -0.14 -0.95 -5.12 119.74 114.86 3gr9 s LYS 171 Ca 0.00 -0.53 -0.29 0.00 -1.36 0.00 0.00 55.97 53.79 3gr9 s LYS 171 Cb 0.00 -1.32 -0.10 0.00 -1.68 0.00 0.00 37.83 34.72 3gr9 s LYS 171 CO 0.00 0.24 1.41 0.00 -0.76 0.00 0.00 175.35 176.24 3gr9 s ALA 173 N -0.58 2.78 0.00 0.00 0.00 0.88 -2.22 121.76 122.62 3gr9 s ALA 173 Ca 0.55 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3gr9 s ALA 173 Cb -0.42 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.21 3gr9 s ALA 173 CO 0.50 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3gr9 n GLY 174 N 0.61 1.44 0.00 0.00 0.00 -1.26 -4.81 105.19 101.17 3gr9 n GLY 174 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 0.00 -0.27 2.61 -2.24 -0.94 -3.31 114.28 108.13 3gr9 n THR 175 Ca 0.00 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 3gr9 n THR 175 Cb 0.00 0.59 0.06 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.00 0.98 -3.83 4.78 -1.00 -1.88 -3.45 116.94 112.54 3gr9 h PHE 176 Ca 0.00 -0.01 -0.44 0.00 2.81 0.00 0.00 57.97 60.33 3gr9 h PHE 176 Cb 0.62 -0.32 0.17 0.00 3.61 0.00 0.00 35.95 40.03 3gr9 h PHE 176 CO 0.00 0.68 0.22 0.20 -1.61 0.00 0.00 178.31 177.79 3gr9 s GLY 177 N -3.01 1.60 0.53 -1.45 0.00 -1.26 -4.92 107.32 98.80 3gr9 s GLY 177 Ca -0.13 -0.72 0.30 0.00 0.00 0.00 0.00 44.72 44.17 3gr9 s GLY 177 CO 0.79 0.00 2.05 -2.00 0.00 0.00 0.00 173.10 173.94 3gr9 h LEU 178 N -2.05 0.00 -7.32 0.66 5.85 -0.65 -3.42 115.31 108.38 3gr9 h LEU 178 Ca -0.49 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.13 3gr9 h LEU 178 Cb 1.31 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.13 3gr9 h LEU 178 CO 0.48 0.10 -0.12 -0.04 -0.34 0.00 0.00 178.44 178.52 3gr9 s MET 179 N -3.98 0.76 -0.01 1.25 -1.94 -1.26 -4.50 119.30 109.62 3gr9 s MET 179 Ca -0.02 0.09 0.02 0.00 -1.71 0.00 0.00 55.69 54.08 3gr9 s MET 179 Cb 0.12 0.35 -0.00 0.00 2.01 0.00 0.00 34.83 37.31 3gr9 s MET 179 CO 0.56 -0.21 -0.08 0.20 -0.01 0.00 0.00 175.02 175.49 3gr9 s GLY 180 N -1.01 0.40 0.03 -0.03 0.00 -0.55 -2.72 107.32 103.45 3gr9 s GLY 180 Ca -0.10 -0.31 0.03 0.00 0.00 0.00 0.00 44.72 44.33 3gr9 s GLY 180 CO 0.05 -0.20 0.00 -0.51 0.00 0.00 0.00 173.10 172.44 3gr9 s THR 181 N -0.06 4.09 0.14 0.90 -4.23 -1.11 -0.49 115.64 114.89 3gr9 s THR 181 Ca 0.01 -0.75 0.03 0.00 -1.18 0.00 0.00 61.69 59.80 3gr9 s THR 181 Cb -0.05 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 3gr9 s THR 181 CO -0.00 0.28 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.93 3gr9 s PHE 182 N -1.17 1.14 0.07 3.99 0.40 -0.60 -1.72 117.98 120.08 3gr9 s PHE 182 Ca 0.22 -0.88 0.08 0.00 -0.60 0.00 0.00 56.93 55.75 3gr9 s PHE 182 Cb -0.12 -0.62 -0.03 0.00 0.51 0.00 0.00 43.02 42.76 3gr9 s PHE 182 CO 0.13 -0.07 -0.23 0.45 0.70 0.00 0.00 175.22 176.21 3gr9 s SER 183 N -3.13 2.72 -0.23 1.36 0.15 -1.26 -0.91 113.70 112.40 3gr9 s SER 183 Ca 0.17 -0.60 0.18 0.00 0.70 0.00 0.00 55.95 56.40 3gr9 s SER 183 Cb 0.04 -0.21 0.48 0.00 -1.71 0.00 0.00 66.02 64.63 3gr9 s SER 183 CO -0.00 0.16 1.15 -1.54 1.20 0.00 0.00 173.24 174.20 3gr9 n SER 184 N 1.54 2.38 -4.77 5.45 3.41 0.31 -4.72 113.62 117.22 3gr9 n SER 184 Ca -0.18 -2.61 -0.32 0.00 -0.26 0.00 0.00 58.87 55.51 3gr9 n SER 184 Cb 0.53 -0.42 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 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 -3.17 2.61 0.04 7.33 5.36 -1.25 0.11 117.98 129.01 3gr9 s PHE 185 Ca 0.35 1.55 -0.09 0.00 -0.96 0.00 0.00 56.93 57.79 3gr9 s PHE 185 Cb 0.36 -3.09 -0.02 0.00 -0.34 0.00 0.00 43.02 39.93 3gr9 s PHE 185 CO -0.04 -1.74 0.78 0.98 -1.46 0.00 0.00 175.22 173.73 3gr9 n TYR 186 N -3.09 -0.12 -2.04 10.12 9.36 -0.86 -4.51 117.16 126.01 3gr9 n TYR 186 Ca 0.10 0.34 -0.41 0.00 3.32 0.00 0.00 57.90 61.25 3gr9 n TYR 186 Cb 0.53 -0.42 -0.00 0.00 -0.63 0.00 0.00 39.34 38.81 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 -3.58 6.98 0.08 2.98 6.94 -1.26 -4.69 115.26 122.71 3gr9 n ASN 187 Ca 0.01 -3.07 -0.12 0.00 -0.02 0.00 0.00 54.58 51.37 3gr9 n ASN 187 Cb 0.07 -1.43 -0.04 0.00 -2.36 0.00 0.00 39.78 36.02 3gr9 n ASN 187 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 3gr9 h HIS 189 N 5.07 0.50 -3.88 -2.53 3.86 -1.87 -3.50 115.15 112.80 3gr9 h HIS 189 Ca 0.61 -0.28 -0.24 0.00 -1.16 0.00 0.00 60.37 59.30 3gr9 h HIS 189 Cb 0.42 -0.05 -0.15 0.00 1.06 0.00 0.00 27.41 28.69 3gr9 h HIS 189 CO 1.51 1.11 -0.68 0.96 0.86 0.00 0.00 177.93 181.69 3gr9 s ILE 190 N -3.19 0.60 -0.04 2.45 -4.36 -1.26 -5.00 121.20 110.39 3gr9 s ILE 190 Ca -0.05 -1.95 -0.04 0.00 -0.26 0.00 0.00 60.65 58.36 3gr9 s ILE 190 Cb 0.09 -1.90 0.01 0.00 1.25 0.00 0.00 42.46 41.91 3gr9 s ILE 190 CO 0.86 -0.66 0.12 0.00 0.24 0.00 0.00 174.94 175.49 3gr9 s ALA 191 N -3.70 -0.29 -0.06 2.27 0.00 -1.26 -4.09 121.76 114.64 3gr9 s ALA 191 Ca 0.18 0.35 0.18 0.00 0.00 0.00 0.00 51.96 52.67 3gr9 s ALA 191 Cb 0.06 -0.20 0.36 0.00 0.00 0.00 0.00 23.12 23.33 3gr9 s ALA 191 CO -0.01 -0.06 1.16 0.25 0.00 0.00 0.00 175.76 177.10 3gr9 n THR 192 N 3.07 0.71 0.00 0.00 -2.24 0.12 -4.78 114.28 111.16 3gr9 n THR 192 Ca -0.13 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.12 3gr9 n THR 192 Cb 0.59 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.13 0.00 -4.22 -0.78 2.81 -1.25 -4.59 117.12 108.97 3gr9 n MET 193 Ca 0.09 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.79 3gr9 n MET 193 Cb 0.93 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 33.33 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 0.95 0.00 0.03 0.41 -1.26 -2.03 118.70 116.80 3gr9 s GLU 194 Ca 0.00 -1.11 0.00 0.00 -0.41 0.00 0.00 54.97 53.45 3gr9 s GLU 194 Cb 0.00 -0.93 0.00 0.00 -1.78 0.00 0.00 34.13 31.42 3gr9 s GLU 194 CO 0.00 0.19 0.00 0.41 -0.49 0.00 0.00 175.26 175.37 3gr9 n GLY 195 N 0.91 2.26 3.54 -1.39 0.00 -0.66 -4.80 105.19 105.05 3gr9 n GLY 195 Ca -0.18 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 1.09 0.14 -0.02 0.00 -0.65 -0.53 107.32 107.35 3gr9 s GLY 196 Ca 0.00 -1.26 -0.18 0.00 0.00 0.00 0.00 44.72 43.29 3gr9 s GLY 196 CO 0.00 -0.84 0.46 0.00 0.00 0.00 0.00 173.10 172.72 3gr9 s ILE 198 N -3.81 0.09 0.15 0.00 1.01 -0.15 -1.56 121.20 116.94 3gr9 s ILE 198 Ca 0.04 0.19 0.10 0.00 0.00 0.00 0.00 60.65 60.97 3gr9 s ILE 198 Cb 0.01 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 3gr9 s ILE 198 CO -0.11 0.15 -0.23 0.68 0.00 0.00 0.00 174.94 175.43 3gr9 s VAL 199 N 1.34 2.09 0.31 2.92 -7.23 0.36 -0.82 120.40 119.37 3gr9 s VAL 199 Ca -0.05 -1.84 -0.19 0.00 -1.81 0.00 0.00 61.98 58.09 3gr9 s VAL 199 Cb -0.13 -1.92 0.03 0.00 0.56 0.00 0.00 36.38 34.93 3gr9 s VAL 199 CO -0.03 -0.09 0.76 0.28 -0.31 0.00 0.00 175.10 175.71 3gr9 s THR 200 N -1.48 0.00 -0.04 5.32 -1.32 -0.49 -1.48 115.64 116.15 3gr9 s THR 200 Ca 0.15 -0.98 0.01 0.00 -1.21 0.00 0.00 61.69 59.66 3gr9 s THR 200 Cb -0.08 -2.33 -0.02 0.00 -1.51 0.00 0.00 72.50 68.56 3gr9 s THR 200 CO 0.07 0.00 0.04 0.47 -2.21 0.00 0.00 174.62 172.99 3gr9 n ASP 201 N -0.81 1.75 -4.53 8.08 8.00 -1.26 0.14 116.55 127.92 3gr9 n ASP 201 Ca -0.06 -0.34 -0.41 0.00 0.71 0.00 0.00 54.79 54.69 3gr9 n ASP 201 Cb 0.59 1.02 -0.03 0.00 -0.02 0.00 0.00 41.12 42.68 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 -1.49 6.23 0.49 -2.24 -1.08 -1.26 -4.77 116.67 112.56 3gr9 s ASP 202 Ca 0.00 -0.76 0.35 0.00 -0.52 0.00 0.00 52.55 51.62 3gr9 s ASP 202 Cb 0.01 -2.53 1.48 0.00 -1.46 0.00 0.00 42.92 40.42 3gr9 s ASP 202 CO 0.05 -1.69 1.70 -0.08 0.52 0.00 0.00 175.17 175.67 3gr9 h GLU 203 N 9.87 0.09 0.33 4.34 4.81 -1.98 -1.06 114.58 130.98 3gr9 h GLU 203 Ca -0.19 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 3gr9 h GLU 203 Cb 1.05 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3gr9 h GLU 203 CO 1.28 0.06 -0.16 1.49 -0.73 0.00 0.00 179.01 180.95 3gr9 h GLU 204 N 0.09 -0.43 -0.73 1.92 4.81 -1.97 -1.77 114.58 116.50 3gr9 h GLU 204 Ca 0.72 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 60.09 3gr9 h GLU 204 Cb 2.56 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 31.91 3gr9 h GLU 204 CO -0.17 -0.22 -0.41 0.82 -0.73 0.00 0.00 179.01 178.30 3gr9 h ILE 205 N -1.08 0.08 -0.86 2.32 1.08 -1.76 0.43 117.51 117.71 3gr9 h ILE 205 Ca -0.05 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.58 3gr9 h ILE 205 Cb 0.41 0.08 -0.16 0.00 -3.07 0.00 0.00 36.82 34.08 3gr9 h ILE 205 CO 0.07 0.00 -0.29 0.22 -0.69 0.00 0.00 178.15 177.47 3gr9 h TYR 206 N -0.13 -0.71 -0.22 1.37 3.20 -1.25 0.45 116.97 119.67 3gr9 h TYR 206 Ca 0.24 0.09 -0.09 0.00 3.14 0.00 0.00 58.73 62.11 3gr9 h TYR 206 Cb 0.56 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 3gr9 h TYR 206 CO -0.76 -0.39 -0.24 0.45 -1.64 0.00 0.00 178.16 175.58 3gr9 h HIS 207 N -0.03 0.45 -0.40 -3.82 3.86 0.63 -0.89 115.15 114.96 3gr9 h HIS 207 Ca 0.37 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.44 3gr9 h HIS 207 Cb 0.62 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 3gr9 h HIS 207 CO -0.73 0.62 0.05 0.82 0.86 0.00 0.00 177.93 179.55 3gr9 h ILE 208 N 0.37 1.25 -0.97 2.45 2.04 0.27 -2.67 117.51 120.24 3gr9 h ILE 208 Ca 0.06 -0.90 0.04 0.00 1.00 0.00 0.00 64.86 65.06 3gr9 h ILE 208 Cb 0.62 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3gr9 h ILE 208 CO 0.04 0.31 0.63 -0.07 0.00 0.00 0.00 178.15 179.06 3gr9 h LEU 209 N 0.51 1.04 -0.82 1.44 3.38 0.61 -0.09 115.31 121.39 3gr9 h LEU 209 Ca 0.12 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3gr9 h LEU 209 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3gr9 h LEU 209 CO 0.01 0.71 -0.17 -0.07 0.09 0.00 0.00 178.44 179.01 3gr9 h LEU 210 N 1.21 0.70 0.70 1.67 4.07 -1.01 -2.57 115.31 120.08 3gr9 h LEU 210 Ca 0.39 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 3gr9 h LEU 210 Cb 0.03 -0.19 0.01 0.00 1.08 0.00 0.00 40.66 41.59 3gr9 h LEU 210 CO -0.13 0.88 -0.34 0.00 -1.08 0.00 0.00 178.44 177.77 3gr9 n ILE 212 N -5.44 0.78 -0.08 0.00 -5.35 -0.34 -1.27 119.36 107.67 3gr9 n ILE 212 Ca -0.13 0.14 -0.14 0.00 -0.27 0.00 0.00 62.75 62.35 3gr9 n ILE 212 Cb 0.39 -1.05 -0.04 0.00 -1.74 0.00 0.00 39.64 37.19 3gr9 n ILE 212 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3gr9 h ARG 213 N 0.00 0.77 -4.09 6.28 2.43 -1.52 0.54 114.38 118.78 3gr9 h ARG 213 Ca 0.00 -0.45 -0.65 0.00 -0.81 0.00 0.00 59.98 58.06 3gr9 h ARG 213 Cb 0.42 0.04 -0.40 0.00 -0.42 0.00 0.00 29.97 29.61 3gr9 h ARG 213 CO 0.00 1.08 -0.66 0.00 -1.51 0.00 0.00 179.97 178.87 3gr9 s ALA 214 N -4.22 3.11 -0.22 2.80 0.00 -1.10 -1.03 121.76 121.10 3gr9 s ALA 214 Ca -0.12 -2.88 0.00 0.00 0.00 0.00 0.00 51.96 48.97 3gr9 s ALA 214 Cb 0.09 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 21.12 3gr9 s ALA 214 CO 0.85 -1.85 0.00 0.72 0.00 0.00 0.00 175.76 175.49 3gr9 n HIS 215 N 3.75 -0.11 -1.21 0.00 8.25 0.18 -2.46 115.22 123.62 3gr9 n HIS 215 Ca 0.04 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.43 3gr9 n HIS 215 Cb 0.38 -1.40 -0.03 0.00 1.12 0.00 0.00 29.99 30.05 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 0.33 0.88 3.98 -1.41 0.00 -0.39 -4.74 105.19 103.83 3gr9 n GLY 216 Ca -0.02 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 3gr9 n GLY 216 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3gr9 s TRP 217 N -2.07 2.92 -2.57 1.61 -2.14 -1.03 0.15 118.94 115.80 3gr9 s TRP 217 Ca 0.00 -0.11 0.21 0.00 2.66 0.00 0.00 56.10 58.86 3gr9 s TRP 217 Cb 0.00 -2.51 0.15 0.00 -3.10 0.00 0.00 33.47 28.00 3gr9 s TRP 217 CO 0.00 -0.59 1.16 0.25 -2.66 0.00 0.00 176.95 175.11 3gr9 n THR 218 N -2.10 0.00 -0.34 0.66 -2.24 -1.24 -4.49 114.28 104.52 3gr9 n THR 218 Ca 0.06 -0.47 0.13 0.00 -2.27 0.00 0.00 64.05 61.50 3gr9 n THR 218 Cb 0.59 1.42 0.32 0.00 -2.10 0.00 0.00 70.33 70.56 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 3.95 0.67 -0.00 -0.78 3.08 -1.90 0.39 114.38 119.79 3gr9 h ARG 219 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3gr9 h ARG 219 Cb 0.87 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3gr9 h ARG 219 CO 0.00 0.45 -0.05 0.09 -1.07 0.00 0.00 179.97 179.39 3gr9 n ASN 220 N -4.82 0.15 -4.82 7.04 5.03 -1.26 -4.84 115.26 111.74 3gr9 n ASN 220 Ca 0.23 -0.24 -0.29 0.00 0.87 0.00 0.00 54.58 55.14 3gr9 n ASN 220 Cb 0.59 -0.22 0.10 0.00 -1.02 0.00 0.00 39.78 39.23 3gr9 n ASN 220 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gr9 s LEU 221 N -2.57 2.44 0.44 3.41 1.43 0.14 -5.00 118.68 118.97 3gr9 s LEU 221 Ca 0.28 1.12 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 3gr9 s LEU 221 Cb 0.20 -3.65 -0.00 0.00 0.03 0.00 0.00 46.19 42.77 3gr9 s LEU 221 CO 0.48 -2.07 0.65 -2.16 0.23 0.00 0.00 176.35 173.48 3gr9 s PRO 222 N -5.27 3.06 0.11 1.29 0.04 -1.26 -5.03 135.00 127.94 3gr9 s PRO 222 Ca 0.61 -0.56 -0.28 0.00 0.04 0.00 0.00 61.00 60.82 3gr9 s PRO 222 Cb -0.14 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.73 3gr9 s PRO 222 CO 0.53 -0.24 1.62 -0.22 0.04 0.00 0.00 177.00 178.74 3gr9 h LYS 223 N 0.45 -0.51 -5.84 4.56 3.64 -1.94 -3.37 116.57 113.56 3gr9 h LYS 223 Ca -0.46 0.03 -0.65 0.00 -1.27 0.00 0.00 60.65 58.30 3gr9 h LYS 223 Cb 1.25 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 33.11 3gr9 h LYS 223 CO 0.57 -0.34 -0.52 0.21 -2.27 0.00 0.00 179.45 177.09 3gr9 s LYS 224 N -6.02 3.30 0.10 1.90 2.20 -1.24 -0.03 119.74 119.96 3gr9 s LYS 224 Ca -0.16 -0.33 -0.26 0.00 -0.36 0.00 0.00 55.97 54.86 3gr9 s LYS 224 Cb 0.08 -3.03 0.08 0.00 -1.51 0.00 0.00 37.83 33.45 3gr9 s LYS 224 CO 0.65 0.69 1.09 0.54 -0.36 0.00 0.00 175.35 177.96 3gr9 s ASN 225 N -1.61 -0.09 0.19 1.43 2.20 0.73 -4.96 114.94 112.83 3gr9 s ASN 225 Ca 0.22 -0.38 0.25 0.00 -0.94 0.00 0.00 52.86 52.01 3gr9 s ASN 225 Cb -0.12 0.38 0.64 0.00 -2.00 0.00 0.00 41.25 40.14 3gr9 s ASN 225 CO 0.13 -0.72 1.62 0.11 -2.94 0.00 0.00 177.10 175.30 3gr9 h LYS 226 N 2.00 0.00 0.00 3.55 1.79 -1.87 -2.96 116.57 119.08 3gr9 h LYS 226 Ca -0.27 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 57.92 3gr9 h LYS 226 Cb 1.22 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.82 3gr9 h LYS 226 CO 0.29 0.00 -1.58 0.28 -1.08 0.00 0.00 179.45 177.36 3gr9 n VAL 227 N -2.26 1.54 -0.11 0.50 0.31 -1.26 -4.68 118.33 112.36 3gr9 n VAL 227 Ca 0.05 -0.12 -0.17 0.00 -0.01 0.00 0.00 64.34 64.09 3gr9 n VAL 227 Cb 0.44 -2.00 -0.13 0.00 -0.91 0.00 0.00 33.84 31.24 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 -4.37 1.50 0.00 2.52 -2.24 -1.26 -5.05 114.28 105.38 3gr9 n THR 228 Ca -0.38 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3gr9 n THR 228 Cb 0.74 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 2.16 2.18 2.86 3.38 0.00 -1.12 -4.96 105.19 109.70 3gr9 n GLY 229 Ca -0.43 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 3gr9 n GLY 229 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gr9 s VAL 230 N 0.00 0.49 -0.33 1.61 -7.23 -1.23 -0.19 120.40 113.52 3gr9 s VAL 230 Ca 0.00 -0.05 -0.24 0.00 -1.81 0.00 0.00 61.98 59.88 3gr9 s VAL 230 Cb 0.00 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.39 3gr9 s VAL 230 CO 0.00 0.23 0.80 -0.54 -0.31 0.00 0.00 175.10 175.29 3gr9 s LYS 231 N 1.22 3.90 0.56 4.82 1.02 0.96 -4.99 119.74 127.22 3gr9 s LYS 231 Ca -0.06 0.52 -0.18 0.00 0.02 0.00 0.00 55.97 56.27 3gr9 s LYS 231 Cb -0.14 -3.76 -0.12 0.00 -0.52 0.00 0.00 37.83 33.29 3gr9 s LYS 231 CO -0.02 -0.75 0.07 0.45 -0.92 0.00 0.00 175.35 174.18 3gr9 n SER 232 N 6.32 -2.86 0.04 2.83 2.88 -1.26 -4.83 113.62 116.73 3gr9 n SER 232 Ca 0.04 0.65 0.13 0.00 -1.33 0.00 0.00 58.87 58.36 3gr9 n SER 232 Cb 0.48 -0.96 0.36 0.00 -0.75 0.00 0.00 64.21 63.34 3gr9 n SER 232 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3gr9 n ASP 233 N 1.79 0.48 -4.58 -3.46 8.00 -1.26 -4.70 116.55 112.82 3gr9 n ASP 233 Ca 0.09 0.22 -0.41 0.00 0.71 0.00 0.00 54.79 55.40 3gr9 n ASP 233 Cb 0.48 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 3gr9 n ASP 233 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gr9 s ASP 234 N -3.64 5.71 0.00 -2.24 -1.08 -1.26 -4.86 116.67 109.30 3gr9 s ASP 234 Ca 0.10 0.83 -0.25 0.00 -0.52 0.00 0.00 52.55 52.72 3gr9 s ASP 234 Cb 0.16 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 38.95 3gr9 s ASP 234 CO 0.64 -1.94 1.02 -0.61 0.52 0.00 0.00 175.17 174.79 3gr9 h GLN 235 N 13.38 -0.85 0.00 4.34 4.15 -1.96 0.63 115.11 134.80 3gr9 h GLN 235 Ca -0.30 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.18 3gr9 h GLN 235 Cb 1.16 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.04 3gr9 h GLN 235 CO 1.12 -0.56 0.66 0.35 -1.93 0.00 0.00 178.83 178.46 3gr9 h PHE 236 N -1.23 0.00 0.00 3.99 3.57 -1.97 0.67 116.94 121.97 3gr9 h PHE 236 Ca -0.09 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.17 3gr9 h PHE 236 Cb 0.68 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 3gr9 h PHE 236 CO 0.00 0.00 -1.82 -1.91 -2.23 0.00 0.00 178.31 172.35 3gr9 n GLU 237 N -2.10 0.32 0.10 1.11 4.07 -1.08 -4.59 120.64 118.47 3gr9 n GLU 237 Ca -0.00 0.13 -0.05 0.00 -0.06 0.00 0.00 57.16 57.17 3gr9 n GLU 237 Cb 0.66 -1.08 0.04 0.00 -0.06 0.00 0.00 31.44 31.01 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 -0.42 0.06 0.00 5.31 4.57 0.23 -3.19 114.58 121.14 3gr9 h GLU 238 Ca -0.36 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3gr9 h GLU 238 Cb 1.36 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 3gr9 h GLU 238 CO -0.19 0.82 0.00 0.43 -1.18 0.00 0.00 179.01 178.88 3gr9 n SER 239 N -3.65 0.00 -2.59 1.04 7.64 0.22 -3.49 113.62 112.80 3gr9 n SER 239 Ca -0.02 0.48 -0.19 0.00 1.01 0.00 0.00 58.87 60.15 3gr9 n SER 239 Cb 0.75 -0.49 0.01 0.00 -1.01 0.00 0.00 64.21 63.47 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 -1.49 2.38 -4.86 1.43 3.72 -1.20 -4.90 117.46 112.53 3gr9 n PHE 240 Ca 0.06 -3.02 -0.27 0.00 -0.05 0.00 0.00 57.45 54.17 3gr9 n PHE 240 Cb 0.28 -0.23 -0.17 0.00 -0.94 0.00 0.00 39.48 38.43 3gr9 n PHE 240 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3gr9 s LYS 241 N -3.33 2.15 -0.07 -1.08 2.47 -1.23 -4.96 119.74 113.69 3gr9 s LYS 241 Ca 0.39 -0.62 0.04 0.00 -1.56 0.00 0.00 55.97 54.22 3gr9 s LYS 241 Cb 0.42 -1.74 -0.01 0.00 -1.46 0.00 0.00 37.83 35.04 3gr9 s LYS 241 CO -0.09 0.14 -0.20 -0.06 0.16 0.00 0.00 175.35 175.31 3gr9 s PHE 242 N 0.37 2.58 0.00 4.03 0.08 -1.26 -3.72 117.98 120.06 3gr9 s PHE 242 Ca -0.13 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.33 3gr9 s PHE 242 Cb -0.15 -1.66 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 3gr9 s PHE 242 CO 0.05 -0.14 0.00 1.33 -0.10 0.00 0.00 175.22 176.36 3gr9 n VAL 243 N 2.96 0.00 -4.11 -0.44 0.24 0.39 -4.96 118.33 112.41 3gr9 n VAL 243 Ca -0.18 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.34 61.80 3gr9 n VAL 243 Cb 0.52 0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 33.59 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 -1.02 2.28 -0.98 1.34 1.02 -1.14 -5.08 118.68 115.11 3gr9 s LEU 244 Ca 0.00 -0.60 -0.18 0.00 0.02 0.00 0.00 54.13 53.37 3gr9 s LEU 244 Cb 0.00 -0.30 0.13 0.00 0.02 0.00 0.00 46.19 46.04 3gr9 s LEU 244 CO 0.00 -0.16 1.20 -2.16 0.02 0.00 0.00 176.35 175.25 3gr9 s PRO 245 N -1.75 3.67 0.00 1.29 0.04 -1.26 -4.20 135.00 132.80 3gr9 s PRO 245 Ca -0.06 -1.84 0.00 0.00 0.04 0.00 0.00 61.00 59.14 3gr9 s PRO 245 Cb -0.09 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.47 3gr9 s PRO 245 CO 0.01 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.65 3gr9 n GLY 246 N 5.39 3.65 0.00 0.56 0.00 -1.26 -5.00 105.19 108.53 3gr9 n GLY 246 Ca 0.27 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3gr9 n GLY 246 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gr9 n TYR 247 N 0.00 -0.03 -3.72 1.61 4.02 0.19 -4.80 117.16 114.43 3gr9 n TYR 247 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 3gr9 n TYR 247 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.19 3gr9 n TYR 247 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3gr9 s ASN 248 N 0.50 3.72 -0.18 7.72 3.84 -1.22 0.52 114.94 129.84 3gr9 s ASN 248 Ca 0.00 -2.52 0.15 0.00 0.21 0.00 0.00 52.86 50.70 3gr9 s ASN 248 Cb 0.00 -1.04 0.38 0.00 -0.55 0.00 0.00 41.25 40.04 3gr9 s ASN 248 CO 0.00 -0.28 1.23 1.33 -2.79 0.00 0.00 177.10 176.59 3gr9 n VAL 249 N 3.68 2.11 -1.72 -5.21 0.24 -0.19 -5.03 118.33 112.21 3gr9 n VAL 249 Ca 0.07 -2.65 -0.43 0.00 -2.04 0.00 0.00 64.34 59.30 3gr9 n VAL 249 Cb 0.35 -0.25 -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 -1.21 2.53 -2.26 7.34 1.74 -1.25 0.31 116.66 123.87 3gr9 n ARG 250 Ca 0.19 0.91 -0.27 0.00 -0.77 0.00 0.00 57.85 57.91 3gr9 n ARG 250 Cb 0.72 -2.68 0.04 0.00 -1.02 0.00 0.00 32.46 29.52 3gr9 n ARG 250 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gr9 s PRO 251 N 0.12 2.82 0.73 5.56 0.04 -1.26 -4.51 135.00 138.50 3gr9 s PRO 251 Ca 0.69 0.08 -0.06 0.00 0.04 0.00 0.00 61.00 61.75 3gr9 s PRO 251 Cb -0.55 -2.20 0.09 0.00 0.04 0.00 0.00 34.50 31.88 3gr9 s PRO 251 CO 0.43 -0.84 1.03 -0.51 0.04 0.00 0.00 177.00 177.15 3gr9 s LEU 252 N -5.11 2.89 0.17 -3.56 1.43 -1.26 -3.76 118.68 109.49 3gr9 s LEU 252 Ca 0.55 0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.82 3gr9 s LEU 252 Cb -0.11 -2.72 0.06 0.00 0.03 0.00 0.00 46.19 43.45 3gr9 s LEU 252 CO 0.47 -1.77 1.46 -0.08 0.23 0.00 0.00 176.35 176.65 3gr9 h GLU 253 N -0.66 0.54 -0.63 1.70 4.57 -1.71 -3.22 114.58 115.17 3gr9 h GLU 253 Ca -0.42 -0.38 0.12 0.00 -1.18 0.00 0.00 59.36 57.49 3gr9 h GLU 253 Cb 1.29 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.85 3gr9 h GLU 253 CO 0.52 1.00 0.16 0.52 -1.18 0.00 0.00 179.01 180.03 3gr9 h MET 254 N 0.40 0.28 0.00 1.92 2.86 -1.92 0.27 114.93 118.73 3gr9 h MET 254 Ca -0.01 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 3gr9 h MET 254 Cb 1.20 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 3gr9 h MET 254 CO 0.12 0.19 -0.25 0.77 1.06 0.00 0.00 176.91 178.80 3gr9 h SER 255 N 0.29 0.00 0.41 1.22 0.02 -1.80 -0.90 113.55 112.79 3gr9 h SER 255 Ca 0.34 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.27 3gr9 h SER 255 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3gr9 h SER 255 CO -0.41 0.25 -0.20 1.23 -1.14 0.00 0.00 176.83 176.57 3gr9 h GLY 256 N 0.95 -0.57 -0.22 -3.77 0.00 -1.03 -0.71 103.07 97.72 3gr9 h GLY 256 Ca -0.00 0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.61 3gr9 h GLY 256 CO 0.03 -0.21 -0.37 0.00 0.00 0.00 0.00 176.54 175.99 3gr9 h ALA 257 N -0.68 -0.30 -0.63 3.60 0.00 -1.10 0.82 119.26 120.97 3gr9 h ALA 257 Ca -0.06 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3gr9 h ALA 257 Cb 0.55 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 3gr9 h ALA 257 CO 0.09 -0.79 0.35 0.82 0.00 0.00 0.00 179.25 179.73 3gr9 h ILE 258 N -0.29 1.00 -0.57 0.00 2.04 -1.22 -1.71 117.51 116.76 3gr9 h ILE 258 Ca 0.16 -0.23 0.11 0.00 1.00 0.00 0.00 64.86 65.90 3gr9 h ILE 258 Cb 0.56 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3gr9 h ILE 258 CO -0.55 0.12 0.39 1.23 0.00 0.00 0.00 178.15 179.34 3gr9 h GLY 259 N 0.67 0.41 0.77 5.37 0.00 0.70 -0.59 103.07 110.40 3gr9 h GLY 259 Ca 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3gr9 h GLY 259 CO -0.16 0.06 -0.12 -2.22 0.00 0.00 0.00 176.54 174.11 3gr9 h ILE 260 N 0.28 0.82 -0.37 2.60 2.04 -0.26 -2.02 117.51 120.60 3gr9 h ILE 260 Ca 0.27 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3gr9 h ILE 260 Cb 0.67 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3gr9 h ILE 260 CO -0.06 0.10 0.25 -0.33 0.00 0.00 0.00 178.15 178.11 3gr9 h GLU 261 N -0.56 0.40 -0.18 2.37 4.39 -0.97 -2.94 114.58 117.09 3gr9 h GLU 261 Ca -0.03 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.43 3gr9 h GLU 261 Cb 0.41 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3gr9 h GLU 261 CO 0.05 0.27 -0.73 1.96 -1.16 0.00 0.00 179.01 179.40 3gr9 h GLN 262 N 0.42 0.79 0.00 2.33 1.08 -1.20 -3.16 115.11 115.36 3gr9 h GLN 262 Ca 0.15 -0.61 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 3gr9 h GLN 262 Cb 0.08 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3gr9 h GLN 262 CO -0.03 1.22 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.95 3gr9 h LEU 263 N 0.55 0.00 -0.90 1.46 3.38 -1.18 -1.17 115.31 117.46 3gr9 h LEU 263 Ca -0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3gr9 h LEU 263 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3gr9 h LEU 263 CO 0.15 0.05 -0.42 0.11 0.09 0.00 0.00 178.44 178.42 3gr9 h LYS 264 N 0.00 0.27 0.00 1.13 1.57 -1.55 -2.99 116.57 115.00 3gr9 h LYS 264 Ca -0.00 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3gr9 h LYS 264 Cb 0.10 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3gr9 h LYS 264 CO 0.01 0.65 -0.44 0.87 -0.57 0.00 0.00 179.45 179.97 3gr9 h LYS 265 N 0.23 0.00 -0.83 3.15 6.56 -1.25 -3.41 116.57 121.02 3gr9 h LYS 265 Ca 0.02 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.68 3gr9 h LYS 265 Cb 0.84 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.40 3gr9 h LYS 265 CO 0.07 0.10 -0.49 -0.11 -2.06 0.00 0.00 179.45 176.96 3gr9 n LEU 266 N -2.99 -0.88 -0.30 2.94 7.94 -0.72 -1.31 117.00 121.69 3gr9 n LEU 266 Ca 0.02 1.49 0.12 0.00 -1.11 0.00 0.00 56.01 56.53 3gr9 n LEU 266 Cb 0.59 -0.20 0.28 0.00 0.53 0.00 0.00 43.42 44.62 3gr9 n LEU 266 CO 0.37 -1.21 1.02 -0.65 -1.11 0.00 0.00 177.39 175.82 3gr9 h PRO 267 N 0.00 0.37 0.16 1.96 0.11 -1.79 0.27 132.00 133.07 3gr9 h PRO 267 Ca 0.13 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3gr9 h PRO 267 Cb 0.34 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3gr9 h PRO 267 CO -0.78 0.24 -0.08 -0.09 -0.21 0.00 0.00 178.00 177.09 3gr9 h ARG 268 N 0.38 -0.21 -0.74 1.05 2.43 -1.50 -0.28 114.38 115.51 3gr9 h ARG 268 Ca 0.53 0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.88 3gr9 h ARG 268 Cb 0.99 0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 30.47 3gr9 h ARG 268 CO -0.53 0.09 0.13 0.74 -1.51 0.00 0.00 179.97 178.90 3gr9 h PHE 269 N -0.51 0.19 -0.08 2.20 0.04 0.17 -0.67 116.94 118.28 3gr9 h PHE 269 Ca -0.02 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3gr9 h PHE 269 Cb 0.39 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 3gr9 h PHE 269 CO 0.02 -0.13 -0.01 0.82 -0.60 0.00 0.00 178.31 178.40 3gr9 h ILE 270 N 0.22 1.28 -0.24 -0.55 1.08 -0.54 -2.02 117.51 116.74 3gr9 h ILE 270 Ca 0.42 -0.88 0.06 0.00 -0.39 0.00 0.00 64.86 64.07 3gr9 h ILE 270 Cb 0.73 1.70 -0.07 0.00 -3.07 0.00 0.00 36.82 36.11 3gr9 h ILE 270 CO -0.55 0.25 -0.35 -1.28 -0.69 0.00 0.00 178.15 175.52 3gr9 h SER 271 N -0.16 -1.12 -0.47 1.72 0.87 0.26 -0.72 113.55 113.92 3gr9 h SER 271 Ca 0.02 0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3gr9 h SER 271 Cb 0.39 0.49 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 3gr9 h SER 271 CO 0.01 -0.36 0.31 0.58 -0.53 0.00 0.00 176.83 176.84 3gr9 h VAL 272 N -0.36 1.12 -0.87 2.23 2.07 -1.22 -1.40 116.25 117.80 3gr9 h VAL 272 Ca 0.12 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.53 3gr9 h VAL 272 Cb 0.56 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3gr9 h VAL 272 CO -0.44 0.12 0.56 0.03 0.02 0.00 0.00 177.57 177.86 3gr9 h ARG 273 N 0.64 0.80 0.05 1.57 3.08 -0.98 0.10 114.38 119.64 3gr9 h ARG 273 Ca 0.18 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 59.94 3gr9 h ARG 273 Cb -0.07 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 3gr9 h ARG 273 CO -0.04 0.53 -1.05 0.00 -1.07 0.00 0.00 179.97 178.34 3gr9 h ARG 274 N 0.83 0.28 -0.16 0.04 3.08 -0.46 -2.49 114.38 115.50 3gr9 h ARG 274 Ca 0.41 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3gr9 h ARG 274 Cb 0.46 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3gr9 h ARG 274 CO -0.17 1.11 0.07 0.87 -1.07 0.00 0.00 179.97 180.78 3gr9 h LYS 275 N 0.13 0.24 -1.00 0.04 1.57 -0.54 0.44 116.57 117.44 3gr9 h LYS 275 Ca -0.09 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.79 3gr9 h LYS 275 Cb 1.73 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.91 3gr9 h LYS 275 CO 0.17 0.29 0.62 -0.91 -0.57 0.00 0.00 179.45 179.05 3gr9 h ASN 276 N 0.13 0.88 0.10 0.86 2.35 -1.01 -1.38 115.58 117.50 3gr9 h ASN 276 Ca 0.06 0.06 -0.22 0.00 -0.55 0.00 0.00 56.30 55.65 3gr9 h ASN 276 Cb 0.13 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.39 3gr9 h ASN 276 CO -0.01 0.44 -0.83 0.00 -1.65 0.00 0.00 177.43 175.38 3gr9 h ALA 277 N 1.57 0.40 -0.55 -0.83 0.00 -0.59 -1.65 119.26 117.60 3gr9 h ALA 277 Ca 0.51 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gr9 h ALA 277 Cb 0.59 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3gr9 h ALA 277 CO -0.28 0.74 0.34 1.49 0.00 0.00 0.00 179.25 181.53 3gr9 h GLU 278 N 0.38 0.75 -0.51 0.00 4.81 0.49 -0.43 114.58 120.07 3gr9 h GLU 278 Ca -0.06 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 3gr9 h GLU 278 Cb 1.44 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 3gr9 h GLU 278 CO 0.15 0.53 0.03 -0.92 -0.73 0.00 0.00 179.01 178.08 3gr9 h TYR 279 N 0.74 0.95 -0.26 0.92 3.20 -1.27 -2.99 116.97 118.26 3gr9 h TYR 279 Ca 0.20 -0.15 0.06 0.00 3.14 0.00 0.00 58.73 61.98 3gr9 h TYR 279 Cb -0.02 -0.25 -0.07 0.00 1.54 0.00 0.00 36.73 37.92 3gr9 h TYR 279 CO -0.03 0.87 -0.29 0.35 -1.64 0.00 0.00 178.16 177.43 3gr9 h PHE 280 N 0.75 -0.78 -0.79 -3.82 3.57 -0.56 0.13 116.94 115.43 3gr9 h PHE 280 Ca 0.15 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3gr9 h PHE 280 Cb 0.47 0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 3gr9 h PHE 280 CO 0.04 -0.36 0.33 -0.07 -2.23 0.00 0.00 178.31 176.01 3gr9 h LEU 281 N -0.29 1.08 -0.36 0.59 3.38 -1.12 0.85 115.31 119.44 3gr9 h LEU 281 Ca 0.14 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3gr9 h LEU 281 Cb 0.51 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3gr9 h LEU 281 CO -0.42 0.95 0.23 -0.78 0.09 0.00 0.00 178.44 178.52 3gr9 h ASP 282 N 1.15 0.40 -0.28 -0.43 1.82 -1.30 0.81 116.42 118.59 3gr9 h ASP 282 Ca 0.27 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.91 3gr9 h ASP 282 Cb 0.20 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 3gr9 h ASP 282 CO -0.02 0.29 0.16 0.50 -1.61 0.00 0.00 179.24 178.56 3gr9 h LYS 283 N 0.48 0.32 -0.71 0.28 1.63 0.15 -2.83 116.57 115.89 3gr9 h LYS 283 Ca 0.13 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.75 3gr9 h LYS 283 Cb -0.05 -0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 31.41 3gr9 h LYS 283 CO -0.03 0.21 0.20 1.19 -3.45 0.00 0.00 179.45 177.57 3gr9 n PHE 284 N -4.94 2.40 -0.03 1.91 3.01 0.29 -4.75 117.46 115.35 3gr9 n PHE 284 Ca -0.01 -1.08 -0.11 0.00 1.01 0.00 0.00 57.45 57.26 3gr9 n PHE 284 Cb 0.05 -0.65 -0.07 0.00 -0.01 0.00 0.00 39.48 38.79 3gr9 n PHE 284 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3gr9 h LYS 285 N 3.08 -0.39 -0.77 -1.08 1.63 0.89 -3.26 116.57 116.66 3gr9 h LYS 285 Ca 0.20 0.03 -0.56 0.00 -0.85 0.00 0.00 60.65 59.46 3gr9 h LYS 285 Cb 2.27 0.09 -0.42 0.00 -0.60 0.00 0.00 32.23 33.57 3gr9 h LYS 285 CO 0.69 -0.26 -0.69 -0.25 -3.45 0.00 0.00 179.45 175.48 3gr9 n ASP 286 N -4.70 5.14 -4.58 4.20 8.00 -1.26 -5.05 116.55 118.29 3gr9 n ASP 286 Ca -0.04 -3.75 -0.54 0.00 0.71 0.00 0.00 54.79 51.17 3gr9 n ASP 286 Cb 0.28 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 3gr9 n ASP 286 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3gr9 n HIS 287 N -0.72 1.38 -0.34 1.24 -0.00 -1.23 -4.85 115.22 110.69 3gr9 n HIS 287 Ca 0.45 0.72 0.23 0.00 -0.00 0.00 0.00 57.72 59.12 3gr9 n HIS 287 Cb 0.94 -2.29 0.49 0.00 -0.00 0.00 0.00 29.99 29.13 3gr9 n HIS 287 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3gr9 h PRO 288 N 4.40 0.39 0.00 1.57 0.13 -1.95 -3.23 132.00 133.31 3gr9 h PRO 288 Ca -0.48 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 3gr9 h PRO 288 Cb 1.35 -0.09 -0.11 0.00 0.13 0.00 0.00 31.00 32.28 3gr9 h PRO 288 CO 0.76 0.26 -0.60 2.48 -0.23 0.00 0.00 178.00 180.67 3gr9 n TYR 289 N -4.75 0.00 -4.23 1.56 0.18 -1.26 -4.98 117.16 103.68 3gr9 n TYR 289 Ca 0.28 -0.16 -0.18 0.00 1.88 0.00 0.00 57.90 59.72 3gr9 n TYR 289 Cb 0.91 -0.03 -0.15 0.00 -0.38 0.00 0.00 39.34 39.69 3gr9 n TYR 289 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3gr9 s LEU 290 N 0.00 1.84 -0.06 -3.48 1.43 -1.22 -1.24 118.68 115.94 3gr9 s LEU 290 Ca 0.09 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3gr9 s LEU 290 Cb 0.11 -0.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 3gr9 s LEU 290 CO -0.05 0.05 0.13 -1.81 0.23 0.00 0.00 176.35 174.90 3gr9 s ASP 291 N 0.11 6.15 0.23 2.29 1.01 0.40 -4.56 116.67 122.29 3gr9 s ASP 291 Ca -0.01 0.34 0.07 0.00 0.71 0.00 0.00 52.55 53.66 3gr9 s ASP 291 Cb -0.06 -1.91 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 3gr9 s ASP 291 CO -0.00 0.33 0.09 0.68 0.21 0.00 0.00 175.17 176.48 3gr9 s VAL 292 N -1.15 4.03 0.47 -1.27 -7.23 -1.26 -0.12 120.40 113.87 3gr9 s VAL 292 Ca 0.21 -1.50 -0.23 0.00 -1.81 0.00 0.00 61.98 58.64 3gr9 s VAL 292 Cb -0.12 -3.12 -0.07 0.00 0.56 0.00 0.00 36.38 33.63 3gr9 s VAL 292 CO 0.11 -0.27 1.28 -1.58 -0.31 0.00 0.00 175.10 174.32 3gr9 s GLN 293 N -3.50 3.60 -0.22 4.82 0.74 -1.26 -4.93 119.66 118.91 3gr9 s GLN 293 Ca 0.31 2.05 -0.09 0.00 0.05 0.00 0.00 55.36 57.68 3gr9 s GLN 293 Cb -0.08 -2.46 -0.04 0.00 1.10 0.00 0.00 33.01 31.53 3gr9 s GLN 293 CO 0.22 -0.76 0.11 -1.14 -0.55 0.00 0.00 175.29 173.17 3gr9 s GLN 294 N -2.64 3.96 0.33 1.67 0.74 0.89 -4.97 119.66 119.64 3gr9 s GLN 294 Ca 0.64 -0.33 -0.29 0.00 0.05 0.00 0.00 55.36 55.43 3gr9 s GLN 294 Cb -0.36 -3.39 -0.11 0.00 1.10 0.00 0.00 33.01 30.26 3gr9 s GLN 294 CO 0.44 0.08 1.41 -2.00 -0.55 0.00 0.00 175.29 174.67 3gr9 s GLU 295 N 0.94 4.24 -0.11 1.67 2.12 -1.26 -4.49 118.70 121.81 3gr9 s GLU 295 Ca 0.06 2.38 0.02 0.00 0.36 0.00 0.00 54.97 57.79 3gr9 s GLU 295 Cb -0.13 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.23 3gr9 s GLU 295 CO 0.03 -0.38 -0.15 0.99 -0.54 0.00 0.00 175.26 175.21 3gr9 s THR 296 N -0.86 1.47 0.00 -1.70 2.01 -1.26 -5.02 115.64 110.27 3gr9 s THR 296 Ca 0.53 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.90 3gr9 s THR 296 Cb -0.43 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 70.73 3gr9 s THR 296 CO 0.55 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.52 3gr9 n GLY 297 N 4.19 3.19 3.08 4.40 0.00 -1.26 -3.92 105.19 114.88 3gr9 n GLY 297 Ca -0.19 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 2.52 0.57 1.61 8.01 -0.74 -5.04 118.70 125.64 3gr9 s GLU 298 Ca 0.00 -1.10 -0.09 0.00 0.01 0.00 0.00 54.97 53.79 3gr9 s GLU 298 Cb 0.00 -2.73 -0.04 0.00 -4.31 0.00 0.00 34.13 27.05 3gr9 s GLU 298 CO 0.00 -0.42 0.95 0.45 0.01 0.00 0.00 175.26 176.25 3gr9 s SER 299 N 1.20 6.25 0.00 -0.19 0.15 -1.25 -1.13 113.70 118.72 3gr9 s SER 299 Ca -0.03 1.26 0.17 0.00 0.70 0.00 0.00 55.95 58.05 3gr9 s SER 299 Cb -0.17 -2.40 0.50 0.00 -1.71 0.00 0.00 66.02 62.24 3gr9 s SER 299 CO -0.08 -0.77 1.40 -1.54 1.20 0.00 0.00 173.24 173.45 3gr9 n SER 300 N -2.57 2.32 -4.05 5.45 3.41 -0.45 -4.72 113.62 113.01 3gr9 n SER 300 Ca 0.04 -1.92 -0.44 0.00 -0.26 0.00 0.00 58.87 56.29 3gr9 n SER 300 Cb 0.54 -0.24 0.02 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.75 -1.45 -0.14 7.33 7.02 -1.25 -4.84 117.44 124.86 3gr9 n TRP 301 Ca 0.16 0.16 -0.04 0.00 -1.02 0.00 0.00 57.50 56.76 3gr9 n TRP 301 Cb 0.39 -2.73 0.02 0.00 -2.42 0.00 0.00 31.31 26.58 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 -2.29 -0.37 -1.89 -5.99 3.57 -1.42 -3.44 116.94 105.12 3gr9 h PHE 302 Ca -0.70 0.05 0.00 0.00 3.53 0.00 0.00 57.97 60.84 3gr9 h PHE 302 Cb 1.40 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.37 3gr9 h PHE 302 CO 0.35 -0.24 0.00 0.41 -2.23 0.00 0.00 178.31 176.59 3gr9 n GLY 303 N -1.37 2.49 3.04 2.40 0.00 -1.26 -3.52 105.19 106.97 3gr9 n GLY 303 Ca 0.04 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 -7.13 2.94 0.24 1.61 0.08 0.38 -4.86 117.98 111.23 3gr9 s PHE 304 Ca 0.00 -2.06 -0.13 0.00 0.12 0.00 0.00 56.93 54.86 3gr9 s PHE 304 Cb 0.00 -1.82 -0.08 0.00 -0.57 0.00 0.00 43.02 40.55 3gr9 s PHE 304 CO 0.00 -0.83 0.63 -1.54 -0.10 0.00 0.00 175.22 173.37 3gr9 s SER 305 N 1.22 6.76 -0.03 1.36 1.04 -1.26 -0.62 113.70 122.15 3gr9 s SER 305 Ca -0.06 1.12 -0.01 0.00 0.48 0.00 0.00 55.95 57.47 3gr9 s SER 305 Cb -0.19 -2.30 0.03 0.00 0.10 0.00 0.00 66.02 63.66 3gr9 s SER 305 CO -0.06 -0.07 0.05 -0.36 0.98 0.00 0.00 173.24 173.77 3gr9 s PHE 306 N -1.77 0.06 -0.10 5.02 0.08 0.12 -4.17 117.98 117.22 3gr9 s PHE 306 Ca 0.47 0.20 -0.04 0.00 0.12 0.00 0.00 56.93 57.68 3gr9 s PHE 306 Cb -0.12 -0.39 -0.04 0.00 -0.57 0.00 0.00 43.02 41.90 3gr9 s PHE 306 CO 0.20 -0.15 0.04 0.42 -0.10 0.00 0.00 175.22 175.63 3gr9 s ILE 307 N 1.72 4.66 -0.17 0.64 -1.09 0.83 -1.48 121.20 126.31 3gr9 s ILE 307 Ca -0.01 -0.11 -0.20 0.00 -2.23 0.00 0.00 60.65 58.10 3gr9 s ILE 307 Cb -0.12 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 3gr9 s ILE 307 CO -0.03 0.60 0.60 -0.63 -1.23 0.00 0.00 174.94 174.25 3gr9 s ILE 308 N -0.84 5.06 0.18 2.92 1.01 -0.59 0.15 121.20 129.08 3gr9 s ILE 308 Ca 0.13 1.16 -0.33 0.00 0.00 0.00 0.00 60.65 61.60 3gr9 s ILE 308 Cb -0.12 -3.93 -0.14 0.00 0.01 0.00 0.00 42.46 38.29 3gr9 s ILE 308 CO 0.03 0.17 1.50 0.29 0.00 0.00 0.00 174.94 176.92 3gr9 n LYS 309 N 4.67 2.03 -1.86 2.79 5.02 -0.38 -4.90 118.16 125.53 3gr9 n LYS 309 Ca -0.03 0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 56.57 3gr9 n LYS 309 Cb 0.50 -2.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.03 3gr9 n LYS 309 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3gr9 s LYS 310 N 0.44 4.18 -0.44 1.97 1.02 -1.26 -1.84 119.74 123.81 3gr9 s LYS 310 Ca 0.76 2.41 -0.02 0.00 0.02 0.00 0.00 55.97 59.14 3gr9 s LYS 310 Cb -0.69 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 32.94 3gr9 s LYS 310 CO 0.42 -0.79 0.38 -0.25 -0.92 0.00 0.00 175.35 174.19 3gr9 n ASP 311 N 5.91 -2.86 -0.00 2.83 9.92 -1.26 -4.94 116.55 126.15 3gr9 n ASP 311 Ca 0.17 -0.20 0.08 0.00 -0.53 0.00 0.00 54.79 54.31 3gr9 n ASP 311 Cb 0.40 -2.07 -0.11 0.00 -0.64 0.00 0.00 41.12 38.70 3gr9 n ASP 311 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3gr9 n SER 312 N -0.79 1.06 0.00 -2.24 3.41 -0.77 -5.00 113.62 109.30 3gr9 n SER 312 Ca -0.04 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3gr9 n SER 312 Cb 0.54 1.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 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 1.49 2.82 3.79 5.00 0.00 -1.26 -5.01 105.19 112.02 3gr9 n GLY 313 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.06 3.86 -0.14 1.61 1.01 -1.26 -5.06 120.40 119.36 3gr9 s VAL 314 Ca 0.00 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.32 3gr9 s VAL 314 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3gr9 s VAL 314 CO 0.00 -0.09 -0.19 0.27 0.00 0.00 0.00 175.10 175.09 3gr9 s ILE 315 N -1.81 2.36 0.28 2.22 -0.00 -1.26 -5.01 121.20 117.98 3gr9 s ILE 315 Ca 0.60 -0.88 -0.03 0.00 -0.00 0.00 0.00 60.65 60.34 3gr9 s ILE 315 Cb -0.19 -1.96 0.42 0.00 -0.00 0.00 0.00 42.46 40.73 3gr9 s ILE 315 CO 0.23 0.53 1.47 -1.14 -0.00 0.00 0.00 174.94 176.04 3gr9 n ARG 316 N 4.00 -0.08 -0.53 0.37 0.63 -1.26 -0.91 116.66 118.87 3gr9 n ARG 316 Ca -0.19 1.44 0.44 0.00 -0.92 0.00 0.00 57.85 58.61 3gr9 n ARG 316 Cb 0.52 -2.22 0.76 0.00 0.45 0.00 0.00 32.46 31.97 3gr9 n ARG 316 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3gr9 h LYS 317 N 0.00 0.03 0.00 -0.14 3.11 -1.96 0.69 116.57 118.30 3gr9 h LYS 317 Ca 0.51 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.35 3gr9 h LYS 317 Cb 0.93 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.15 3gr9 h LYS 317 CO -0.93 0.02 -0.01 1.96 -2.81 0.00 0.00 179.45 177.68 3gr9 h GLN 318 N 0.03 0.00 -1.04 1.90 1.08 -1.46 -2.74 115.11 112.88 3gr9 h GLN 318 Ca 0.79 0.00 0.42 0.00 -1.45 0.00 0.00 58.65 58.41 3gr9 h GLN 318 Cb 3.01 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 30.28 3gr9 h GLN 318 CO -0.10 0.00 0.59 1.28 -0.95 0.00 0.00 178.83 179.65 3gr9 n LEU 319 N -2.41 0.31 0.26 1.46 4.77 -1.03 0.13 117.00 120.48 3gr9 n LEU 319 Ca -0.00 1.53 -0.14 0.00 -0.03 0.00 0.00 56.01 57.37 3gr9 n LEU 319 Cb 0.00 -0.75 -0.08 0.00 -2.33 0.00 0.00 43.42 40.27 3gr9 n LEU 319 CO 0.00 -1.71 0.50 0.58 -1.33 0.00 0.00 177.39 175.44 3gr9 h VAL 320 N 0.00 0.40 -0.20 4.08 2.07 -0.98 -0.65 116.25 120.97 3gr9 h VAL 320 Ca 0.82 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.99 3gr9 h VAL 320 Cb 2.28 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 32.53 3gr9 h VAL 320 CO -0.67 0.06 -0.34 -0.08 0.02 0.00 0.00 177.57 176.55 3gr9 h GLU 321 N -0.94 -0.36 -0.66 1.57 4.81 0.14 0.11 114.58 119.24 3gr9 h GLU 321 Ca -0.07 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.29 3gr9 h GLU 321 Cb 0.60 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 3gr9 h GLU 321 CO 0.11 -0.24 0.44 -0.91 -0.73 0.00 0.00 179.01 177.68 3gr9 h ASN 322 N -0.38 0.45 -0.50 1.04 -0.26 -0.38 0.28 115.58 115.83 3gr9 h ASN 322 Ca 0.11 0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.75 3gr9 h ASN 322 Cb 0.56 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.72 3gr9 h ASN 322 CO -0.41 0.27 -0.09 -0.07 -1.06 0.00 0.00 177.43 176.07 3gr9 h LEU 323 N 0.50 0.98 0.11 1.61 3.38 0.79 0.28 115.31 122.96 3gr9 h LEU 323 Ca 0.31 -0.31 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3gr9 h LEU 323 Cb 0.53 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 41.04 3gr9 h LEU 323 CO -0.10 1.08 -0.94 0.78 0.09 0.00 0.00 178.44 179.35 3gr9 h ASN 324 N 0.88 0.64 0.40 -0.43 2.35 -0.12 0.21 115.58 119.51 3gr9 h ASN 324 Ca 0.14 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 55.03 3gr9 h ASN 324 Cb 0.64 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3gr9 h ASN 324 CO 0.04 1.44 0.00 0.77 -1.65 0.00 0.00 177.43 178.03 3gr9 h SER 325 N -0.06 0.00 0.08 5.81 4.64 -0.46 0.12 113.55 123.68 3gr9 h SER 325 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3gr9 h SER 325 Cb 1.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 3gr9 h SER 325 CO 0.18 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 176.01 3gr9 n ALA 326 N -1.98 2.82 -1.96 5.18 0.00 0.99 -4.94 120.51 120.62 3gr9 n ALA 326 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3gr9 n ALA 326 Cb 0.15 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.27 0.81 2.89 0.00 0.00 0.43 -4.97 105.19 105.62 3gr9 n GLY 327 Ca 0.15 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.49 0.70 0.37 -0.61 1.01 0.04 -3.16 121.20 117.07 3gr9 s ILE 328 Ca 0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.25 3gr9 s ILE 328 Cb 0.00 -0.73 -0.10 0.00 0.01 0.00 0.00 42.46 41.64 3gr9 s ILE 328 CO 0.00 0.28 0.96 -0.70 0.00 0.00 0.00 174.94 175.49 3gr9 s GLU 329 N 1.26 4.38 0.22 2.79 2.12 -0.30 -3.53 118.70 125.63 3gr9 s GLU 329 Ca -0.05 1.29 -0.18 0.00 0.36 0.00 0.00 54.97 56.38 3gr9 s GLU 329 Cb -0.14 -2.53 0.03 0.00 0.26 0.00 0.00 34.13 31.75 3gr9 s GLU 329 CO -0.02 0.09 0.57 0.00 -0.54 0.00 0.00 175.26 175.37 3gr9 n ARG 331 N -0.38 0.66 -1.33 0.00 1.85 -0.97 -4.98 116.66 111.52 3gr9 n ARG 331 Ca -0.08 -1.38 -0.30 0.00 -1.00 0.00 0.00 57.85 55.09 3gr9 n ARG 331 Cb 0.62 1.68 0.12 0.00 -1.05 0.00 0.00 32.46 33.82 3gr9 n ARG 331 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3gr9 s PRO 332 N -2.09 1.64 -0.70 2.89 0.02 -1.26 -1.52 135.00 133.97 3gr9 s PRO 332 Ca 0.10 0.79 -0.27 0.00 0.02 0.00 0.00 61.00 61.65 3gr9 s PRO 332 Cb -0.03 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.67 3gr9 s PRO 332 CO 0.08 -1.97 1.24 0.42 -0.33 0.00 0.00 177.00 176.43 3gr9 s ILE 333 N -3.01 3.83 0.00 2.83 1.01 -1.26 -4.58 121.20 120.03 3gr9 s ILE 333 Ca 0.62 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.73 3gr9 s ILE 333 Cb -0.17 -4.86 0.00 0.00 0.01 0.00 0.00 42.46 37.45 3gr9 s ILE 333 CO 0.56 -1.71 0.00 0.52 0.00 0.00 0.00 174.94 174.30 3gr9 n VAL 334 N 6.41 0.00 -0.73 2.92 0.31 -1.26 -2.32 118.33 123.66 3gr9 n VAL 334 Ca 0.04 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.44 3gr9 n VAL 334 Cb 0.49 0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.65 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 1.88 -3.36 2.52 -2.24 -1.26 -5.08 114.28 106.74 3gr9 n THR 335 Ca 0.00 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.19 3gr9 n THR 335 Cb 0.00 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.16 -0.38 3.60 3.38 0.00 -0.98 -4.67 105.19 105.99 3gr9 n GLY 336 Ca 0.18 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 6.38 0.25 1.61 3.84 -1.26 -4.61 114.94 117.15 3gr9 s ASN 337 Ca 0.00 0.85 -0.03 0.00 0.21 0.00 0.00 52.86 53.88 3gr9 s ASN 337 Cb 0.00 -2.54 0.42 0.00 -0.55 0.00 0.00 41.25 38.58 3gr9 s ASN 337 CO 0.00 -1.39 1.82 0.15 -2.79 0.00 0.00 177.10 174.89 3gr9 h PHE 338 N 10.49 0.92 0.00 0.43 3.57 -1.31 -2.33 116.94 128.72 3gr9 h PHE 338 Ca -0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3gr9 h PHE 338 Cb 1.10 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3gr9 h PHE 338 CO 0.96 0.38 0.14 -0.07 -2.23 0.00 0.00 178.31 177.49 3gr9 h LEU 339 N 0.85 0.00 -0.81 0.59 3.38 -1.92 -2.45 115.31 114.95 3gr9 h LEU 339 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3gr9 h LEU 339 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3gr9 h LEU 339 CO -0.24 0.00 0.00 0.07 0.09 0.00 0.00 178.44 178.36 3gr9 h LYS 340 N 0.00 0.00 -3.55 1.13 2.10 -1.81 -3.37 116.57 111.08 3gr9 h LYS 340 Ca 0.00 0.00 -0.70 0.00 -2.00 0.00 0.00 60.65 57.95 3gr9 h LYS 340 Cb 0.28 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.57 3gr9 h LYS 340 CO 0.00 0.00 3.21 0.09 -2.00 0.00 0.00 179.45 180.75 3gr9 n ASN 341 N -2.41 5.81 -0.31 7.07 3.02 -0.92 -4.81 115.26 122.71 3gr9 n ASN 341 Ca 0.02 -2.80 0.10 0.00 -0.03 0.00 0.00 54.58 51.87 3gr9 n ASN 341 Cb 0.26 -1.59 0.27 0.00 -0.61 0.00 0.00 39.78 38.11 3gr9 n ASN 341 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3gr9 h THR 342 N 3.57 0.67 0.00 3.41 2.02 -1.88 -2.94 112.91 117.76 3gr9 h THR 342 Ca 0.66 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.59 3gr9 h THR 342 Cb 0.50 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3gr9 h THR 342 CO 1.81 0.11 -0.15 0.44 0.37 0.00 0.00 175.52 178.10 3gr9 h ASP 343 N 0.62 0.00 0.51 4.18 3.32 -1.96 -2.08 116.42 121.01 3gr9 h ASP 343 Ca 0.52 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.33 3gr9 h ASP 343 Cb 0.80 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 3gr9 h ASP 343 CO -0.40 0.15 -1.66 0.55 -1.72 0.00 0.00 179.24 176.16 3gr9 n VAL 344 N -4.32 1.36 0.26 -1.35 3.14 -1.13 -4.06 118.33 112.23 3gr9 n VAL 344 Ca -0.03 -0.75 0.11 0.00 -2.96 0.00 0.00 64.34 60.72 3gr9 n VAL 344 Cb 0.22 -0.82 0.73 0.00 -1.06 0.00 0.00 33.84 32.90 3gr9 n VAL 344 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3gr9 h LEU 345 N 0.00 0.00 -2.49 6.55 3.38 -1.22 0.83 115.31 122.36 3gr9 h LEU 345 Ca -0.25 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3gr9 h LEU 345 Cb 1.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 3gr9 h LEU 345 CO 0.06 0.09 0.16 0.11 0.09 0.00 0.00 178.44 178.94 3gr9 h LYS 346 N 0.00 0.00 0.00 1.13 1.79 -1.61 -0.50 116.57 117.38 3gr9 h LYS 346 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gr9 h LYS 346 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3gr9 h LYS 346 CO 0.01 0.00 -0.49 1.88 -1.08 0.00 0.00 179.45 179.77 3gr9 h TYR 347 N 0.00 0.00 -2.36 -1.35 0.05 -1.08 -3.47 116.97 108.76 3gr9 h TYR 347 Ca 0.02 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.36 3gr9 h TYR 347 Cb 0.33 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.11 3gr9 h TYR 347 CO 0.00 0.00 -0.09 -0.06 -1.05 0.00 0.00 178.16 176.96 3gr9 s PHE 348 N -3.25 2.91 -0.43 4.88 0.40 -0.20 -5.00 117.98 117.29 3gr9 s PHE 348 Ca 0.04 -0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.36 3gr9 s PHE 348 Cb 0.09 -2.62 0.12 0.00 0.51 0.00 0.00 43.02 41.11 3gr9 s PHE 348 CO 0.72 -0.71 0.16 0.34 0.70 0.00 0.00 175.22 176.43 3gr9 s ASP 349 N -4.38 4.66 0.22 1.36 2.15 -1.26 -5.03 116.67 114.39 3gr9 s ASP 349 Ca 0.55 -2.51 0.01 0.00 0.43 0.00 0.00 52.55 51.03 3gr9 s ASP 349 Cb -0.10 -1.66 -0.05 0.00 -0.30 0.00 0.00 42.92 40.81 3gr9 s ASP 349 CO 0.37 -0.34 0.09 -0.72 -0.17 0.00 0.00 175.17 174.40 3gr9 s TYR 350 N 0.42 1.34 0.02 -5.34 1.13 -1.26 -0.01 117.35 113.65 3gr9 s TYR 350 Ca 0.13 -1.21 -0.12 0.00 -1.41 0.00 0.00 57.07 54.47 3gr9 s TYR 350 Cb -0.22 -0.75 0.01 0.00 -1.10 0.00 0.00 41.96 39.91 3gr9 s TYR 350 CO -0.05 -0.41 0.25 -0.08 -2.51 0.00 0.00 175.55 172.76 3gr9 s THR 351 N -3.86 0.08 -0.23 -3.49 -1.32 0.23 -4.93 115.64 102.12 3gr9 s THR 351 Ca 0.35 -0.68 -0.02 0.00 -1.21 0.00 0.00 61.69 60.12 3gr9 s THR 351 Cb 0.07 -0.75 0.01 0.00 -1.51 0.00 0.00 72.50 70.33 3gr9 s THR 351 CO 0.11 -0.38 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.39 3gr9 s VAL 352 N -1.99 2.98 0.01 5.08 1.01 -1.26 -1.51 120.40 124.72 3gr9 s VAL 352 Ca -0.09 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 3gr9 s VAL 352 Cb -0.03 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 3gr9 s VAL 352 CO -0.00 0.32 1.30 -2.28 0.00 0.00 0.00 175.10 174.43 3gr9 s HIS 353 N 1.38 3.10 0.00 5.22 2.46 0.18 -4.70 115.29 122.94 3gr9 s HIS 353 Ca 0.03 1.04 0.00 0.00 0.47 0.00 0.00 55.06 56.60 3gr9 s HIS 353 Cb -0.15 -3.54 0.00 0.00 -0.13 0.00 0.00 32.58 28.75 3gr9 s HIS 353 CO -0.05 -1.87 0.00 -1.71 -2.47 0.00 0.00 174.74 168.64 3gr9 n ASN 354 N 4.91 0.00 -2.74 9.88 4.05 -1.26 -4.56 115.26 125.53 3gr9 n ASN 354 Ca 0.11 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 55.01 3gr9 n ASN 354 Cb 0.45 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.42 3gr9 n ASN 354 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 3gr9 n ASN 355 N 7.25 -0.96 -3.07 1.20 0.23 -1.26 -5.10 115.26 113.55 3gr9 n ASN 355 Ca 0.00 -2.68 -0.19 0.00 -0.53 0.00 0.00 54.58 51.18 3gr9 n ASN 355 Cb 0.00 1.89 -0.03 0.00 -2.08 0.00 0.00 39.78 39.56 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 -0.50 -0.46 0.08 3.53 0.24 -1.26 -4.05 118.33 115.91 3gr9 n VAL 356 Ca 0.03 -3.38 -0.11 0.00 -2.04 0.00 0.00 64.34 58.84 3gr9 n VAL 356 Cb 0.50 -0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 31.93 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 3.88 0.29 0.37 -1.34 3.32 -1.98 -2.73 116.42 118.22 3gr9 h ASP 357 Ca 0.01 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 3gr9 h ASP 357 Cb 0.93 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3gr9 h ASP 357 CO 0.42 1.12 -0.30 0.78 -1.72 0.00 0.00 179.24 179.54 3gr9 h ASN 358 N 0.09 -0.79 -0.76 6.45 2.35 -1.92 0.70 115.58 121.70 3gr9 h ASN 358 Ca -0.07 0.06 0.22 0.00 -0.55 0.00 0.00 56.30 55.96 3gr9 h ASN 358 Cb 1.67 0.25 -0.03 0.00 0.05 0.00 0.00 38.32 40.26 3gr9 h ASN 358 CO 0.15 -0.42 0.60 0.00 -1.65 0.00 0.00 177.43 176.12 3gr9 h ALA 359 N -1.35 2.65 -0.05 -0.83 0.00 -1.87 1.11 119.26 118.92 3gr9 h ALA 359 Ca -0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3gr9 h ALA 359 Cb 0.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3gr9 h ALA 359 CO 0.00 -0.99 -0.20 0.93 0.00 0.00 0.00 179.25 178.99 3gr9 h GLU 360 N 0.00 0.21 -0.23 0.00 5.08 -0.84 -0.72 114.58 118.09 3gr9 h GLU 360 Ca 0.36 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3gr9 h GLU 360 Cb 1.56 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 3gr9 h GLU 360 CO -0.00 0.82 0.13 -0.92 -1.00 0.00 0.00 179.01 178.04 3gr9 h TYR 361 N -0.34 0.30 -0.92 4.33 3.20 0.45 0.06 116.97 124.05 3gr9 h TYR 361 Ca -0.01 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.05 3gr9 h TYR 361 Cb 0.85 -0.10 -0.11 0.00 1.54 0.00 0.00 36.73 38.91 3gr9 h TYR 361 CO 0.14 0.24 0.48 1.25 -1.64 0.00 0.00 178.16 178.63 3gr9 h LEU 362 N 0.27 0.55 -1.95 2.82 6.46 0.10 0.15 115.31 123.72 3gr9 h LEU 362 Ca 0.08 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 3gr9 h LEU 362 Cb 0.03 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 3gr9 h LEU 362 CO -0.01 0.15 0.00 -0.78 -0.62 0.00 0.00 178.44 177.18 3gr9 h ASP 363 N 0.58 0.00 0.00 1.25 3.58 0.60 -1.66 116.42 120.78 3gr9 h ASP 363 Ca 0.54 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.99 3gr9 h ASP 363 Cb 0.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 3gr9 h ASP 363 CO -0.43 0.00 -0.90 0.29 -2.88 0.00 0.00 179.24 175.32 3gr9 n LYS 364 N -3.04 1.82 -0.35 0.28 4.76 -0.24 -4.70 118.16 116.69 3gr9 n LYS 364 Ca -0.01 -0.03 0.07 0.00 -2.87 0.00 0.00 58.31 55.48 3gr9 n LYS 364 Cb 0.22 -0.99 0.13 0.00 -1.84 0.00 0.00 35.03 32.56 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 -1.49 1.81 -4.35 4.39 3.02 0.37 -4.49 115.26 114.51 3gr9 n ASN 365 Ca -0.00 -3.11 -0.32 0.00 -0.03 0.00 0.00 54.58 51.11 3gr9 n ASN 365 Cb 0.10 -0.42 -0.15 0.00 -0.61 0.00 0.00 39.78 38.71 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 -2.69 1.44 0.18 7.41 0.00 -0.63 -1.55 107.32 111.48 3gr9 s GLY 366 Ca 0.30 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 44.05 3gr9 s GLY 366 CO -0.01 -0.52 0.06 0.48 0.00 0.00 0.00 173.10 173.11 3gr9 s LEU 367 N -0.13 1.76 -0.11 0.66 0.05 -0.55 -4.32 118.68 116.04 3gr9 s LEU 367 Ca -0.03 -1.26 -0.10 0.00 0.05 0.00 0.00 54.13 52.80 3gr9 s LEU 367 Cb -0.14 0.16 0.03 0.00 -2.05 0.00 0.00 46.19 44.19 3gr9 s LEU 367 CO 0.04 -0.70 0.30 0.12 -0.55 0.00 0.00 176.35 175.56 3gr9 s PHE 368 N -3.90 -0.33 0.15 3.48 2.19 -0.57 0.11 117.98 119.11 3gr9 s PHE 368 Ca 0.29 0.80 0.07 0.00 0.33 0.00 0.00 56.93 58.42 3gr9 s PHE 368 Cb 0.07 0.11 -0.04 0.00 -1.31 0.00 0.00 43.02 41.85 3gr9 s PHE 368 CO 0.06 -0.17 -0.16 0.14 1.83 0.00 0.00 175.22 176.92 3gr9 s VAL 369 N 0.25 1.61 0.71 3.12 -7.23 0.20 -2.29 120.40 116.78 3gr9 s VAL 369 Ca -0.01 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.17 3gr9 s VAL 369 Cb -0.03 -1.75 0.02 0.00 0.56 0.00 0.00 36.38 35.19 3gr9 s VAL 369 CO -0.00 -0.40 1.08 -0.83 -0.31 0.00 0.00 175.10 174.64 3gr9 s GLY 370 N -2.67 1.79 -0.04 2.32 0.00 -1.26 -0.47 107.32 106.99 3gr9 s GLY 370 Ca 0.14 0.26 0.03 0.00 0.00 0.00 0.00 44.72 45.15 3gr9 s GLY 370 CO 0.05 0.59 -0.11 0.21 0.00 0.00 0.00 173.10 173.84 3gr9 s ASN 371 N -3.34 1.50 0.36 1.64 2.47 -1.23 -4.58 114.94 111.75 3gr9 s ASN 371 Ca 0.61 -0.24 0.05 0.00 0.42 0.00 0.00 52.86 53.70 3gr9 s ASN 371 Cb -0.16 -0.47 -0.07 0.00 -1.45 0.00 0.00 41.25 39.10 3gr9 s ASN 371 CO 0.52 0.07 0.04 -1.00 -3.72 0.00 0.00 177.10 173.01 3gr9 s HIS 372 N 0.27 2.16 -0.51 0.43 3.76 -1.26 -4.76 115.29 115.38 3gr9 s HIS 372 Ca -0.06 -0.86 0.03 0.00 -0.15 0.00 0.00 55.06 54.02 3gr9 s HIS 372 Cb -0.11 -1.46 0.20 0.00 1.11 0.00 0.00 32.58 32.32 3gr9 s HIS 372 CO 0.01 0.16 1.01 0.00 -0.85 0.00 0.00 174.74 175.07 3gr9 n GLN 373 N -0.79 1.74 -4.16 1.40 0.00 -1.26 -4.21 117.38 110.10 3gr9 n GLN 373 Ca -0.03 -0.82 -0.17 0.00 0.00 0.00 0.00 57.00 55.98 3gr9 n GLN 373 Cb 0.67 -1.54 -0.12 0.00 0.00 0.00 0.00 30.24 29.25 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 -1.21 0.95 0.34 -0.39 -4.36 -1.26 -4.78 121.20 110.49 3gr9 s ILE 374 Ca 0.15 -1.19 -0.29 0.00 -0.26 0.00 0.00 60.65 59.06 3gr9 s ILE 374 Cb 0.12 -0.93 -0.11 0.00 1.25 0.00 0.00 42.46 42.78 3gr9 s ILE 374 CO 0.04 -0.23 1.51 -1.84 0.24 0.00 0.00 174.94 174.65 3gr9 n GLU 375 N 1.43 2.62 -0.18 0.37 0.28 -1.26 -4.93 120.64 118.97 3gr9 n GLU 375 Ca -0.21 0.92 0.09 0.00 -0.16 0.00 0.00 57.16 57.81 3gr9 n GLU 375 Cb 0.54 -2.66 0.16 0.00 1.43 0.00 0.00 31.44 30.92 3gr9 n GLU 375 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3gr9 n LEU 376 N 1.16 2.65 -0.34 -1.84 4.77 -1.26 -4.83 117.00 117.32 3gr9 n LEU 376 Ca 0.05 -3.16 0.16 0.00 -0.03 0.00 0.00 56.01 53.03 3gr9 n LEU 376 Cb 0.38 -0.46 0.36 0.00 -2.33 0.00 0.00 43.42 41.36 3gr9 n LEU 376 CO 0.64 0.77 1.14 -0.26 -1.33 0.00 0.00 177.39 178.34 3gr9 h PHE 377 N 0.37 0.93 -0.01 -1.77 0.04 -1.93 0.32 116.94 114.89 3gr9 h PHE 377 Ca 0.00 0.04 -0.25 0.00 2.80 0.00 0.00 57.97 60.56 3gr9 h PHE 377 Cb 1.08 -0.26 0.01 0.00 2.20 0.00 0.00 35.95 38.98 3gr9 h PHE 377 CO 0.15 0.06 -0.99 -0.44 -0.60 0.00 0.00 178.31 176.49 3gr9 h ASP 378 N 0.56 0.77 -0.66 2.17 3.32 -1.99 -1.85 116.42 118.74 3gr9 h ASP 378 Ca 0.62 -0.61 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3gr9 h ASP 378 Cb 1.14 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 3gr9 h ASP 378 CO -0.48 1.41 0.16 -0.33 -1.72 0.00 0.00 179.24 178.28 3gr9 h GLU 379 N 0.34 1.05 -0.42 3.56 3.07 -1.55 -1.00 114.58 119.63 3gr9 h GLU 379 Ca -0.11 -0.26 -0.09 0.00 -0.50 0.00 0.00 59.36 58.40 3gr9 h GLU 379 Cb 1.64 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.40 3gr9 h GLU 379 CO 0.19 0.95 -0.10 0.82 -1.40 0.00 0.00 179.01 179.46 3gr9 h ILE 380 N 0.98 1.27 0.06 3.13 2.04 -0.45 0.19 117.51 124.72 3gr9 h ILE 380 Ca 0.21 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 64.88 3gr9 h ILE 380 Cb 0.37 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3gr9 h ILE 380 CO 0.00 0.41 -0.17 0.44 0.00 0.00 0.00 178.15 178.83 3gr9 h ASP 381 N 0.64 -0.50 -0.44 1.72 5.19 -0.98 -1.34 116.42 120.71 3gr9 h ASP 381 Ca 0.11 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 3gr9 h ASP 381 Cb 0.63 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 3gr9 h ASP 381 CO 0.04 -0.24 0.21 0.22 -3.12 0.00 0.00 179.24 176.34 3gr9 h TYR 382 N -0.31 0.67 0.16 4.55 3.20 -1.03 -2.51 116.97 121.70 3gr9 h TYR 382 Ca 0.04 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3gr9 h TYR 382 Cb 0.36 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3gr9 h TYR 382 CO -0.20 0.52 -0.08 1.25 -1.64 0.00 0.00 178.16 178.01 3gr9 h LEU 383 N 0.68 -0.18 -2.65 2.82 5.85 -0.36 -2.11 115.31 119.36 3gr9 h LEU 383 Ca 0.17 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gr9 h LEU 383 Cb 0.11 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 3gr9 h LEU 383 CO -0.02 -0.11 -0.01 -0.09 -0.34 0.00 0.00 178.44 177.87 3gr9 h ARG 384 N -0.24 0.00 0.00 1.25 9.65 -0.87 -0.61 114.38 123.56 3gr9 h ARG 384 Ca -0.02 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3gr9 h ARG 384 Cb 0.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 3gr9 h ARG 384 CO 0.04 0.01 -0.05 0.93 2.80 0.00 0.00 179.97 183.70 3gr9 h GLU 385 N 0.00 0.02 -0.53 0.20 4.39 -1.12 -3.29 114.58 114.25 3gr9 h GLU 385 Ca -0.00 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.77 3gr9 h GLU 385 Cb 0.09 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.67 3gr9 h GLU 385 CO 0.00 0.90 0.04 0.28 -1.16 0.00 0.00 179.01 179.08 3gr9 h VAL 386 N -0.84 0.62 -0.93 3.13 2.07 -0.61 -2.74 116.25 116.95 3gr9 h VAL 386 Ca -0.01 -0.06 -0.73 0.00 0.82 0.00 0.00 66.70 66.73 3gr9 h VAL 386 Cb 0.92 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.04 3gr9 h VAL 386 CO 0.01 0.03 2.70 0.18 0.02 0.00 0.00 177.57 180.51 3gr9 n LEU 387 N -5.20 8.19 0.00 2.57 4.77 -0.34 -5.07 117.00 121.93 3gr9 n LEU 387 Ca 0.07 -4.79 0.03 0.00 -0.03 0.00 0.00 56.01 51.29 3gr9 n LEU 387 Cb 0.29 -1.40 0.18 0.00 -2.33 0.00 0.00 43.42 40.16 3gr9 n LEU 387 CO 0.16 2.06 0.42 0.29 -1.33 0.00 0.00 177.39 178.99