#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gr9 h LEU 6 N 0.00 0.80 -8.49 1.53 4.07 -1.96 -3.39 115.31 107.87 3gr9 h LEU 6 Ca 0.00 -0.10 -0.21 0.00 0.08 0.00 0.00 57.88 57.65 3gr9 h LEU 6 Cb 0.00 -0.20 -0.15 0.00 1.08 0.00 0.00 40.66 41.39 3gr9 h LEU 6 CO 0.00 0.67 -0.64 0.00 -1.08 0.00 0.00 178.44 177.39 3gr9 s ALA 7 N -5.83 0.98 0.10 1.53 0.00 -1.26 -4.36 121.76 112.92 3gr9 s ALA 7 Ca -0.13 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 50.26 3gr9 s ALA 7 Cb 0.13 0.95 -0.03 0.00 0.00 0.00 0.00 23.12 24.18 3gr9 s ALA 7 CO 0.78 -0.50 0.09 -1.12 0.00 0.00 0.00 175.76 175.01 3gr9 s SER 8 N -3.09 0.29 0.10 0.00 0.01 -1.26 -5.13 113.70 104.62 3gr9 s SER 8 Ca 0.27 -0.97 -0.31 0.00 1.31 0.00 0.00 55.95 56.26 3gr9 s SER 8 Cb 0.07 0.29 -0.08 0.00 0.21 0.00 0.00 66.02 66.52 3gr9 s SER 8 CO 0.04 -0.71 1.39 -0.55 0.41 0.00 0.00 173.24 173.82 3gr9 s SER 9 N -2.95 6.84 -0.01 2.44 0.15 -1.26 -4.88 113.70 114.03 3gr9 s SER 9 Ca 0.13 2.29 0.21 0.00 0.70 0.00 0.00 55.95 59.28 3gr9 s SER 9 Cb 0.06 -2.58 -0.26 0.00 -1.71 0.00 0.00 66.02 61.53 3gr9 s SER 9 CO -0.05 -0.66 0.76 0.35 1.20 0.00 0.00 173.24 174.84 3gr9 n THR 10 N 4.05 0.00 -2.76 6.45 -2.24 -1.26 -4.98 114.28 113.54 3gr9 n THR 10 Ca 0.12 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.43 3gr9 n THR 10 Cb 0.43 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 -3.15 3.49 0.00 4.78 0.52 -1.26 -5.03 118.94 118.28 3gr9 s TRP 11 Ca 0.03 1.04 0.00 0.00 0.02 0.00 0.00 56.10 57.19 3gr9 s TRP 11 Cb 0.15 -2.45 0.00 0.00 -1.15 0.00 0.00 33.47 30.02 3gr9 s TRP 11 CO 0.88 -0.17 0.00 -0.40 0.02 0.00 0.00 176.95 177.28 3gr9 n ASP 12 N -1.51 0.00 0.00 2.95 5.68 -1.26 -5.03 116.55 117.38 3gr9 n ASP 12 Ca 0.02 -0.27 0.11 0.00 -0.50 0.00 0.00 54.79 54.15 3gr9 n ASP 12 Cb 0.54 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.17 3gr9 n ASP 12 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3gr9 n ASP 13 N -0.79 0.00 0.03 -1.12 9.92 -1.26 -2.98 116.55 120.36 3gr9 n ASP 13 Ca 0.00 -1.10 -0.12 0.00 -0.53 0.00 0.00 54.79 53.04 3gr9 n ASP 13 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3gr9 n ASP 13 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3gr9 h LEU 14 N 0.00 0.62 -0.05 0.64 3.38 -1.99 -2.62 115.31 115.28 3gr9 h LEU 14 Ca 0.00 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3gr9 h LEU 14 Cb 0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3gr9 h LEU 14 CO 0.00 1.16 -0.06 -0.33 0.09 0.00 0.00 178.44 179.30 3gr9 h GLU 15 N 0.35 0.13 -0.11 1.13 3.07 -1.90 -1.39 114.58 115.86 3gr9 h GLU 15 Ca -0.04 -0.07 0.03 0.00 -0.50 0.00 0.00 59.36 58.78 3gr9 h GLU 15 Cb 1.33 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.24 3gr9 h GLU 15 CO 0.14 0.61 0.08 1.88 -1.40 0.00 0.00 179.01 180.32 3gr9 h TYR 16 N -0.34 0.00 0.20 4.33 0.05 -1.66 -0.05 116.97 119.50 3gr9 h TYR 16 Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3gr9 h TYR 16 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 3gr9 h TYR 16 CO 0.10 0.00 -0.10 0.87 -1.05 0.00 0.00 178.16 177.98 3gr9 h LYS 17 N 0.00 -0.26 -0.94 4.88 1.57 -1.19 -1.45 116.57 119.17 3gr9 h LYS 17 Ca 0.05 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.03 3gr9 h LYS 17 Cb 0.22 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.48 3gr9 h LYS 17 CO -0.00 0.13 0.53 0.00 -0.57 0.00 0.00 179.45 179.54 3gr9 h ALA 18 N -0.30 1.52 -0.02 3.86 0.00 -0.11 0.97 119.26 125.19 3gr9 h ALA 18 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gr9 h ALA 18 Cb 0.52 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gr9 h ALA 18 CO 0.05 -0.10 0.01 0.82 0.00 0.00 0.00 179.25 180.03 3gr9 h ILE 19 N 0.68 1.01 0.10 0.00 2.04 -1.02 -2.07 117.51 118.26 3gr9 h ILE 19 Ca 0.54 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 66.38 3gr9 h ILE 19 Cb 0.84 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3gr9 h ILE 19 CO -0.39 0.01 -0.53 -0.61 0.00 0.00 0.00 178.15 176.63 3gr9 h GLN 20 N 0.01 -0.72 -1.13 2.37 5.75 0.19 -1.22 115.11 120.36 3gr9 h GLN 20 Ca 0.01 0.05 0.37 0.00 -0.15 0.00 0.00 58.65 58.92 3gr9 h GLN 20 Cb 0.01 0.16 -0.13 0.00 1.07 0.00 0.00 27.48 28.59 3gr9 h GLN 20 CO -0.00 -0.48 0.69 0.66 -2.65 0.00 0.00 178.83 177.05 3gr9 h SER 21 N -0.75 0.38 0.09 -0.69 4.64 -0.12 0.39 113.55 117.50 3gr9 h SER 21 Ca -0.00 0.16 -0.21 0.00 -0.47 0.00 0.00 61.79 61.27 3gr9 h SER 21 Cb 0.76 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3gr9 h SER 21 CO -0.30 -0.15 -0.77 0.58 -0.87 0.00 0.00 176.83 175.32 3gr9 h VAL 22 N 0.21 1.34 -0.32 0.95 2.07 -0.60 -2.38 116.25 117.52 3gr9 h VAL 22 Ca 0.76 -2.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.11 3gr9 h VAL 22 Cb 2.05 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.88 3gr9 h VAL 22 CO -0.50 0.64 -0.11 -0.07 0.02 0.00 0.00 177.57 177.55 3gr9 h LEU 23 N 0.38 0.53 -0.76 2.57 3.38 0.88 -1.33 115.31 120.97 3gr9 h LEU 23 Ca -0.05 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3gr9 h LEU 23 Cb 1.38 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3gr9 h LEU 23 CO 0.14 0.68 -0.06 0.44 0.09 0.00 0.00 178.44 179.74 3gr9 h ASP 24 N 0.51 0.86 0.02 -0.43 3.32 -1.26 -2.42 116.42 117.01 3gr9 h ASP 24 Ca 0.09 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 3gr9 h ASP 24 Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3gr9 h ASP 24 CO 0.03 0.96 -0.33 0.77 -1.72 0.00 0.00 179.24 178.95 3gr9 h SER 25 N 0.80 0.46 -0.07 6.45 4.64 -0.91 -3.46 113.55 121.45 3gr9 h SER 25 Ca 0.14 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 3gr9 h SER 25 Cb 0.56 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3gr9 h SER 25 CO 0.03 0.77 -0.03 0.29 -0.87 0.00 0.00 176.83 177.02 3gr9 n LYS 26 N -4.07 -0.35 -4.23 4.77 5.02 -0.55 -5.00 118.16 113.74 3gr9 n LYS 26 Ca -0.01 0.30 -0.34 0.00 -2.02 0.00 0.00 58.31 56.24 3gr9 n LYS 26 Cb 0.46 -3.74 -0.14 0.00 -0.02 0.00 0.00 35.03 31.58 3gr9 n LYS 26 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3gr9 s MET 27 N -1.13 3.41 0.00 1.97 1.00 -1.25 -4.97 119.30 118.33 3gr9 s MET 27 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 55.69 55.08 3gr9 s MET 27 Cb 0.00 -2.87 0.02 0.00 0.00 0.00 0.00 34.83 31.98 3gr9 s MET 27 CO 0.00 -0.02 0.54 1.19 0.00 0.00 0.00 175.02 176.73 3gr9 n PHE 28 N 4.25 0.00 -3.12 -0.03 3.72 -1.26 -4.85 117.46 116.17 3gr9 n PHE 28 Ca -0.18 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.83 3gr9 n PHE 28 Cb 0.52 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.00 3gr9 n PHE 28 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3gr9 s THR 29 N -0.32 4.79 0.00 4.37 2.01 -1.26 -2.63 115.64 122.60 3gr9 s THR 29 Ca 0.03 1.40 0.00 0.00 0.31 0.00 0.00 61.69 63.43 3gr9 s THR 29 Cb 0.02 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.53 3gr9 s THR 29 CO 0.04 0.42 0.00 0.80 -0.69 0.00 0.00 174.62 175.19 3gr9 n MET 30 N 2.55 0.00 0.00 4.92 1.56 -1.23 -4.57 117.12 120.35 3gr9 n MET 30 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.37 3gr9 n MET 30 Cb 0.51 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.88 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 0.00 2.30 0.25 -5.12 0.00 -1.26 -4.95 105.19 96.41 3gr9 n GLY 31 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.83 -0.17 1.61 4.39 -1.98 0.45 114.58 119.71 3gr9 h GLU 32 Ca 0.00 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 3gr9 h GLU 32 Cb 0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3gr9 h GLU 32 CO 0.00 0.93 -0.03 1.88 -1.16 0.00 0.00 179.01 180.63 3gr9 h TYR 33 N 0.66 0.36 -0.12 4.33 0.05 -1.90 0.89 116.97 121.26 3gr9 h TYR 33 Ca 0.11 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 58.85 3gr9 h TYR 33 Cb 0.61 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 3gr9 h TYR 33 CO 0.05 0.58 -0.08 0.28 -1.05 0.00 0.00 178.16 177.93 3gr9 h VAL 34 N 0.05 0.75 -0.77 -2.88 2.07 -1.75 1.60 116.25 115.32 3gr9 h VAL 34 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3gr9 h VAL 34 Cb 0.45 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3gr9 h VAL 34 CO 0.01 0.00 0.50 0.50 0.02 0.00 0.00 177.57 178.60 3gr9 h LYS 35 N -0.09 0.96 -0.33 1.57 3.64 0.07 -1.82 116.57 120.58 3gr9 h LYS 35 Ca 0.07 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 3gr9 h LYS 35 Cb 0.20 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3gr9 h LYS 35 CO -0.17 0.64 -0.07 0.37 -2.27 0.00 0.00 179.45 177.94 3gr9 h GLN 36 N 0.99 0.63 -0.51 1.90 5.75 0.15 -2.71 115.11 121.29 3gr9 h GLN 36 Ca 0.29 -0.24 0.10 0.00 -0.15 0.00 0.00 58.65 58.65 3gr9 h GLN 36 Cb -0.05 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.39 3gr9 h GLN 36 CO -0.09 0.80 0.06 -0.92 -2.65 0.00 0.00 178.83 176.03 3gr9 h TYR 37 N 0.41 0.08 -0.87 3.99 3.20 0.28 -0.62 116.97 123.43 3gr9 h TYR 37 Ca 0.08 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.10 3gr9 h TYR 37 Cb 0.56 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.80 3gr9 h TYR 37 CO 0.05 -0.06 0.50 0.93 -1.64 0.00 0.00 178.16 177.94 3gr9 h GLU 38 N 0.18 0.79 -0.56 1.82 5.08 -1.25 0.20 114.58 120.85 3gr9 h GLU 38 Ca 0.26 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3gr9 h GLU 38 Cb 0.38 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3gr9 h GLU 38 CO -0.38 0.52 0.20 1.15 -1.00 0.00 0.00 179.01 179.50 3gr9 h THR 39 N 0.82 1.23 -0.04 1.13 2.02 -0.82 -2.18 112.91 115.06 3gr9 h THR 39 Ca 0.43 -0.74 -0.13 0.00 0.77 0.00 0.00 66.41 66.73 3gr9 h THR 39 Cb 0.43 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3gr9 h THR 39 CO -0.27 0.28 -0.58 -0.61 0.37 0.00 0.00 175.52 174.72 3gr9 h GLN 40 N 0.77 0.13 -0.26 6.66 -0.00 -0.83 -2.18 115.11 119.40 3gr9 h GLN 40 Ca 0.18 -0.08 -0.05 0.00 -0.00 0.00 0.00 58.65 58.70 3gr9 h GLN 40 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 3gr9 h GLN 40 CO -0.01 0.67 -0.04 0.35 0.00 0.00 0.00 178.83 179.80 3gr9 h PHE 41 N 0.10 0.54 -0.21 3.99 3.04 -0.76 0.28 116.94 123.91 3gr9 h PHE 41 Ca -0.00 -0.11 -0.09 0.00 3.98 0.00 0.00 57.97 61.74 3gr9 h PHE 41 Cb 1.05 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.41 3gr9 h PHE 41 CO 0.01 0.68 -0.27 0.00 -2.02 0.00 0.00 178.31 176.72 3gr9 h ALA 42 N 0.78 1.15 0.16 2.41 0.00 -1.39 -1.67 119.26 120.70 3gr9 h ALA 42 Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3gr9 h ALA 42 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gr9 h ALA 42 CO 0.02 0.54 -0.08 -0.22 0.00 0.00 0.00 179.25 179.52 3gr9 h LYS 43 N 0.36 -0.21 -0.70 0.00 3.11 -1.10 -0.53 116.57 117.51 3gr9 h LYS 43 Ca 0.05 0.01 0.14 0.00 -2.81 0.00 0.00 60.65 58.05 3gr9 h LYS 43 Cb 0.66 0.05 -0.13 0.00 -1.00 0.00 0.00 32.23 31.81 3gr9 h LYS 43 CO 0.05 0.02 -0.17 1.15 -2.81 0.00 0.00 179.45 177.69 3gr9 h THR 44 N -0.41 0.30 -0.46 1.00 2.02 -0.05 -2.77 112.91 112.54 3gr9 h THR 44 Ca -0.02 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3gr9 h THR 44 Cb 0.32 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3gr9 h THR 44 CO 0.04 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.42 3gr9 n PHE 45 N -5.46 1.01 -3.26 3.16 3.01 -0.66 -4.98 117.46 110.28 3gr9 n PHE 45 Ca 0.09 -0.64 -0.18 0.00 1.01 0.00 0.00 57.45 57.73 3gr9 n PHE 45 Cb 0.36 -0.18 0.06 0.00 -0.01 0.00 0.00 39.48 39.70 3gr9 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gr9 n GLY 46 N 0.56 -0.20 3.72 1.37 0.00 -0.34 -4.72 105.19 105.58 3gr9 n GLY 46 Ca 0.20 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3gr9 n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gr9 s SER 47 N -3.17 5.42 0.20 1.61 0.15 -0.42 -5.00 113.70 112.49 3gr9 s SER 47 Ca 0.42 0.15 -0.10 0.00 0.70 0.00 0.00 55.95 57.11 3gr9 s SER 47 Cb -0.18 -1.54 0.14 0.00 -1.71 0.00 0.00 66.02 62.73 3gr9 s SER 47 CO 0.51 0.34 1.86 0.11 1.20 0.00 0.00 173.24 177.26 3gr9 h LYS 48 N 4.78 0.99 -4.93 5.44 1.57 -1.85 -3.42 116.57 119.15 3gr9 h LYS 48 Ca -0.51 -0.08 -0.32 0.00 -1.87 0.00 0.00 60.65 57.87 3gr9 h LYS 48 Cb 1.19 -0.21 -0.15 0.00 0.08 0.00 0.00 32.23 33.14 3gr9 h LYS 48 CO 0.57 0.68 -0.67 0.71 -0.57 0.00 0.00 179.45 180.17 3gr9 s TYR 49 N -6.03 1.32 -0.08 -1.35 2.02 0.17 -4.97 117.35 108.44 3gr9 s TYR 49 Ca -0.13 -0.95 -0.10 0.00 -0.37 0.00 0.00 57.07 55.52 3gr9 s TYR 49 Cb 0.15 -0.75 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 3gr9 s TYR 49 CO 0.78 -0.11 0.27 0.00 -1.57 0.00 0.00 175.55 174.92 3gr9 s ALA 50 N -3.53 -0.67 -0.11 3.71 0.00 -1.26 -1.94 121.76 117.95 3gr9 s ALA 50 Ca 0.24 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 3gr9 s ALA 50 Cb 0.05 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.91 3gr9 s ALA 50 CO 0.05 -0.17 -0.04 0.08 0.00 0.00 0.00 175.76 175.68 3gr9 s VAL 51 N -0.32 0.80 0.16 0.00 1.01 -0.01 -4.86 120.40 117.19 3gr9 s VAL 51 Ca -0.04 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 3gr9 s VAL 51 Cb -0.03 -0.91 -0.08 0.00 0.00 0.00 0.00 36.38 35.36 3gr9 s VAL 51 CO 0.01 0.27 0.71 -0.32 0.00 0.00 0.00 175.10 175.77 3gr9 s MET 52 N 1.79 4.37 0.41 2.72 1.75 -1.26 -1.62 119.30 127.47 3gr9 s MET 52 Ca 0.04 0.95 0.05 0.00 -1.25 0.00 0.00 55.69 55.48 3gr9 s MET 52 Cb -0.13 -3.12 -0.02 0.00 2.84 0.00 0.00 34.83 34.40 3gr9 s MET 52 CO -0.07 0.52 0.17 0.14 -0.65 0.00 0.00 175.02 175.13 3gr9 s VAL 53 N -1.27 0.43 0.29 10.11 -7.23 0.33 -4.63 120.40 118.43 3gr9 s VAL 53 Ca 0.37 -2.00 0.26 0.00 -1.81 0.00 0.00 61.98 58.80 3gr9 s VAL 53 Cb -0.20 -2.31 0.27 0.00 0.56 0.00 0.00 36.38 34.70 3gr9 s VAL 53 CO 0.23 0.00 1.97 0.77 -0.31 0.00 0.00 175.10 177.75 3gr9 h SER 54 N 1.78 0.00 -5.23 4.85 4.64 -1.29 -2.34 113.55 115.97 3gr9 h SER 54 Ca -0.33 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.12 3gr9 h SER 54 Cb 1.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.31 3gr9 h SER 54 CO 0.51 0.16 0.42 -0.94 -0.87 0.00 0.00 176.83 176.11 3gr9 s SER 55 N -6.14 -0.14 0.40 4.97 1.04 -1.26 -2.73 113.70 109.83 3gr9 s SER 55 Ca -0.01 -0.59 0.19 0.00 0.48 0.00 0.00 55.95 56.02 3gr9 s SER 55 Cb 0.12 0.59 0.80 0.00 0.10 0.00 0.00 66.02 67.63 3gr9 s SER 55 CO 0.60 -1.12 1.80 1.23 0.98 0.00 0.00 173.24 176.73 3gr9 h GLY 56 N 2.00 0.00 1.69 7.32 0.00 -1.69 -1.83 103.07 110.56 3gr9 h GLY 56 Ca -0.25 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.83 3gr9 h GLY 56 CO 0.28 0.00 -1.13 1.76 0.00 0.00 0.00 176.54 177.46 3gr9 h SER 57 N 0.00 0.36 0.92 0.19 0.02 -1.91 -2.88 113.55 110.25 3gr9 h SER 57 Ca -0.00 -0.36 -0.11 0.00 -0.84 0.00 0.00 61.79 60.47 3gr9 h SER 57 Cb 0.78 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3gr9 h SER 57 CO 0.04 1.25 -0.54 0.71 -1.14 0.00 0.00 176.83 177.15 3gr9 h THR 58 N 0.09 1.13 -0.17 -2.27 1.35 -1.88 -1.80 112.91 109.35 3gr9 h THR 58 Ca -0.10 -2.04 -0.07 0.00 -0.55 0.00 0.00 66.41 63.65 3gr9 h THR 58 Cb 1.84 2.19 -0.00 0.00 -1.73 0.00 0.00 68.15 70.45 3gr9 h THR 58 CO 0.18 0.53 -0.16 0.00 -0.25 0.00 0.00 175.52 175.83 3gr9 h ALA 59 N 1.46 0.24 -0.38 6.62 0.00 -1.38 -1.84 119.26 123.99 3gr9 h ALA 59 Ca -0.01 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3gr9 h ALA 59 Cb 1.15 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3gr9 h ALA 59 CO 0.07 0.14 0.14 -0.91 0.00 0.00 0.00 179.25 178.69 3gr9 h ASN 60 N 0.05 0.17 -0.27 0.00 2.35 -1.34 0.13 115.58 116.66 3gr9 h ASN 60 Ca 0.03 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.87 3gr9 h ASN 60 Cb 0.69 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.02 3gr9 h ASN 60 CO 0.04 0.13 -0.06 0.25 -1.65 0.00 0.00 177.43 176.14 3gr9 h LEU 61 N 0.31 -0.23 -0.41 1.61 5.85 -1.19 -1.70 115.31 119.55 3gr9 h LEU 61 Ca 0.17 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 3gr9 h LEU 61 Cb 0.14 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3gr9 h LEU 61 CO -0.17 -0.08 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.63 3gr9 h LEU 62 N 0.01 0.84 -0.76 2.25 4.07 -0.98 -0.81 115.31 119.94 3gr9 h LEU 62 Ca 0.13 -0.39 0.16 0.00 0.08 0.00 0.00 57.88 57.86 3gr9 h LEU 62 Cb 0.20 -0.23 -0.10 0.00 1.08 0.00 0.00 40.66 41.60 3gr9 h LEU 62 CO -0.27 1.04 0.26 -0.03 -1.08 0.00 0.00 178.44 178.36 3gr9 h MET 63 N 0.64 0.35 -0.10 1.13 1.85 -0.30 0.41 114.93 118.92 3gr9 h MET 63 Ca 0.10 -0.02 -0.11 0.00 -0.61 0.00 0.00 59.70 59.06 3gr9 h MET 63 Cb 0.70 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.65 3gr9 h MET 63 CO 0.05 0.23 -0.36 0.82 -0.40 0.00 0.00 176.91 177.26 3gr9 h ILE 64 N 0.36 1.39 -0.92 1.77 1.08 -0.82 -3.32 117.51 117.06 3gr9 h ILE 64 Ca 0.43 -1.70 0.01 0.00 -0.39 0.00 0.00 64.86 63.20 3gr9 h ILE 64 Cb 0.71 2.20 -0.05 0.00 -3.07 0.00 0.00 36.82 36.61 3gr9 h ILE 64 CO -0.46 0.50 0.60 0.00 -0.69 0.00 0.00 178.15 178.10 3gr9 h ALA 65 N 0.48 1.33 -0.99 1.87 0.00 -0.56 -2.87 119.26 118.51 3gr9 h ALA 65 Ca -0.02 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.03 3gr9 h ALA 65 Cb 0.99 -0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 3gr9 h ALA 65 CO 0.08 0.62 0.62 0.00 0.00 0.00 0.00 179.25 180.56 3gr9 h ALA 66 N 1.41 1.84 0.00 0.00 0.00 -1.03 0.27 119.26 121.76 3gr9 h ALA 66 Ca 0.34 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3gr9 h ALA 66 Cb -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3gr9 h ALA 66 CO -0.07 -0.21 0.00 -0.07 0.00 0.00 0.00 179.25 178.90 3gr9 h LEU 67 N 0.65 0.00 0.00 0.00 3.38 -1.65 -1.59 115.31 116.10 3gr9 h LEU 67 Ca 0.56 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.45 3gr9 h LEU 67 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3gr9 h LEU 67 CO -0.33 0.00 -0.71 -0.26 0.09 0.00 0.00 178.44 177.23 3gr9 h PHE 68 N 0.00 0.00 -0.02 1.13 -1.00 -1.04 -1.08 116.94 114.93 3gr9 h PHE 68 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3gr9 h PHE 68 Cb 0.42 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.98 3gr9 h PHE 68 CO 0.00 0.33 -0.15 1.19 -1.61 0.00 0.00 178.31 178.07 3gr9 n PHE 69 N -3.02 0.00 -1.96 -0.55 3.72 -0.61 -4.83 117.46 110.22 3gr9 n PHE 69 Ca -0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.02 3gr9 n PHE 69 Cb 0.69 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 39.24 3gr9 n PHE 69 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3gr9 s THR 70 N -2.19 2.47 0.27 4.37 -4.23 -1.18 -4.87 115.64 110.28 3gr9 s THR 70 Ca 0.28 0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 61.10 3gr9 s THR 70 Cb 0.20 -3.15 0.30 0.00 1.34 0.00 0.00 72.50 71.19 3gr9 s THR 70 CO 0.41 -0.03 1.64 0.11 -0.54 0.00 0.00 174.62 176.20 3gr9 h LYS 71 N 1.29 0.15 -4.99 3.99 6.56 -1.94 -2.83 116.57 118.80 3gr9 h LYS 71 Ca -0.50 -0.01 -0.65 0.00 -1.06 0.00 0.00 60.65 58.43 3gr9 h LYS 71 Cb 1.29 -0.03 -0.22 0.00 -0.57 0.00 0.00 32.23 32.70 3gr9 h LYS 71 CO 0.57 0.10 -0.62 0.15 -2.06 0.00 0.00 179.45 177.59 3gr9 s LYS 72 N -6.01 3.69 -0.14 3.15 1.02 -1.26 -5.07 119.74 115.11 3gr9 s LYS 72 Ca -0.13 -0.46 -0.27 0.00 0.02 0.00 0.00 55.97 55.13 3gr9 s LYS 72 Cb 0.25 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 3gr9 s LYS 72 CO 0.77 -0.13 0.90 -2.14 -0.92 0.00 0.00 175.35 173.82 3gr9 s PRO 73 N 1.46 4.35 0.17 -1.68 0.02 -1.07 -4.94 135.00 133.31 3gr9 s PRO 73 Ca 0.06 1.16 -0.10 0.00 0.02 0.00 0.00 61.00 62.13 3gr9 s PRO 73 Cb -0.15 -3.56 0.06 0.00 0.02 0.00 0.00 34.50 30.87 3gr9 s PRO 73 CO 0.04 -0.32 1.64 0.00 -0.33 0.00 0.00 177.00 178.03 3gr9 h ARG 74 N 7.22 1.02 -5.49 5.54 3.08 -1.53 -3.45 114.38 120.77 3gr9 h ARG 74 Ca -0.30 -0.32 -0.43 0.00 0.07 0.00 0.00 59.98 59.00 3gr9 h ARG 74 Cb 1.14 -0.10 -0.16 0.00 0.08 0.00 0.00 29.97 30.93 3gr9 h ARG 74 CO 0.85 1.00 -0.74 -0.51 -1.07 0.00 0.00 179.97 179.49 3gr9 s LEU 75 N -9.38 2.49 0.07 3.04 1.43 -0.60 -5.02 118.68 110.71 3gr9 s LEU 75 Ca -0.12 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.06 3gr9 s LEU 75 Cb 0.13 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 3gr9 s LEU 75 CO 0.85 -0.17 -0.06 -0.54 0.23 0.00 0.00 176.35 176.65 3gr9 s LYS 76 N -3.27 0.66 0.33 1.70 1.02 -1.26 -4.40 119.74 114.52 3gr9 s LYS 76 Ca 0.17 -1.06 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 3gr9 s LYS 76 Cb -0.02 -0.18 -0.12 0.00 -0.52 0.00 0.00 37.83 36.99 3gr9 s LYS 76 CO 0.05 -0.00 1.45 0.36 -0.92 0.00 0.00 175.35 176.29 3gr9 n LYS 77 N 0.64 2.45 0.00 1.68 2.85 -1.26 -1.30 118.16 123.22 3gr9 n LYS 77 Ca -0.17 0.86 0.00 0.00 -1.05 0.00 0.00 58.31 57.95 3gr9 n LYS 77 Cb 0.58 -2.56 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 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 1.23 2.24 3.51 2.58 0.00 -0.43 -5.01 105.19 109.32 3gr9 n GLY 78 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3gr9 n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gr9 n ASP 79 N 0.00 -0.27 -4.76 1.61 8.00 -0.42 -4.10 116.55 116.60 3gr9 n ASP 79 Ca 0.00 0.85 -0.37 0.00 0.71 0.00 0.00 54.79 55.98 3gr9 n ASP 79 Cb 0.00 -1.23 -0.07 0.00 -0.02 0.00 0.00 41.12 39.81 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 -2.05 4.13 0.02 -1.24 2.12 -1.25 0.08 118.70 120.51 3gr9 s GLU 80 Ca 0.67 0.21 0.05 0.00 0.36 0.00 0.00 54.97 56.26 3gr9 s GLU 80 Cb -0.50 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 3gr9 s GLU 80 CO 0.55 0.37 -0.15 -1.50 -0.54 0.00 0.00 175.26 173.99 3gr9 s ILE 81 N 0.04 1.15 -0.12 -3.70 2.07 0.14 -1.27 121.20 119.51 3gr9 s ILE 81 Ca 0.20 -0.89 -0.04 0.00 -1.41 0.00 0.00 60.65 58.50 3gr9 s ILE 81 Cb -0.14 -1.02 -0.04 0.00 0.13 0.00 0.00 42.46 41.40 3gr9 s ILE 81 CO 0.07 0.11 0.04 -0.63 -1.91 0.00 0.00 174.94 172.62 3gr9 s ILE 82 N -0.69 4.62 0.17 2.00 1.09 0.11 -1.27 121.20 127.22 3gr9 s ILE 82 Ca 0.03 -0.12 -0.02 0.00 -1.10 0.00 0.00 60.65 59.44 3gr9 s ILE 82 Cb -0.07 -2.99 -0.03 0.00 -1.06 0.00 0.00 42.46 38.30 3gr9 s ILE 82 CO 0.01 0.57 0.13 0.68 -0.10 0.00 0.00 174.94 176.23 3gr9 s VAL 83 N -0.59 0.05 0.41 2.92 -7.23 -0.91 -0.64 120.40 114.42 3gr9 s VAL 83 Ca 0.10 -1.86 -0.08 0.00 -1.81 0.00 0.00 61.98 58.33 3gr9 s VAL 83 Cb -0.12 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 3gr9 s VAL 83 CO 0.02 -0.24 0.74 -2.16 -0.31 0.00 0.00 175.10 173.16 3gr9 s PRO 84 N -4.08 3.69 0.00 4.82 0.04 -1.26 -0.92 135.00 137.29 3gr9 s PRO 84 Ca 0.29 0.33 0.31 0.00 0.04 0.00 0.00 61.00 61.97 3gr9 s PRO 84 Cb 0.06 -2.42 1.59 0.00 0.04 0.00 0.00 34.50 33.77 3gr9 s PRO 84 CO 0.06 -0.05 2.05 0.00 0.04 0.00 0.00 177.00 179.10 3gr9 n ALA 85 N -1.52 2.66 -3.84 8.56 0.00 -0.20 -4.70 120.51 121.47 3gr9 n ALA 85 Ca 0.01 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 52.90 3gr9 n ALA 85 Cb 0.54 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.06 0.94 -0.08 0.00 1.01 -1.26 -2.23 120.40 116.72 3gr9 s VAL 86 Ca 0.43 -0.65 -0.32 0.00 0.00 0.00 0.00 61.98 61.43 3gr9 s VAL 86 Cb 0.21 -1.24 0.14 0.00 0.00 0.00 0.00 36.38 35.50 3gr9 s VAL 86 CO 0.37 -0.01 1.41 -0.55 0.00 0.00 0.00 175.10 176.33 3gr9 s SER 87 N 1.69 -0.01 0.75 3.32 0.15 -1.26 -4.99 113.70 113.34 3gr9 s SER 87 Ca -0.01 -0.03 -0.15 0.00 0.70 0.00 0.00 55.95 56.47 3gr9 s SER 87 Cb -0.16 0.04 0.05 0.00 -1.71 0.00 0.00 66.02 64.23 3gr9 s SER 87 CO -0.07 -0.07 1.22 0.86 1.20 0.00 0.00 173.24 176.38 3gr9 s TRP 88 N -2.09 1.97 0.27 3.44 -0.11 -1.26 -4.66 118.94 116.49 3gr9 s TRP 88 Ca 0.15 1.61 -0.02 0.00 1.22 0.00 0.00 56.10 59.07 3gr9 s TRP 88 Cb 0.07 -3.50 0.45 0.00 -1.50 0.00 0.00 33.47 28.99 3gr9 s TRP 88 CO -0.06 -2.73 1.86 0.66 -4.62 0.00 0.00 176.95 172.05 3gr9 h SER 89 N -0.41 0.94 -0.02 5.86 4.64 -2.01 0.29 113.55 122.85 3gr9 h SER 89 Ca -0.48 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3gr9 h SER 89 Cb 1.30 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3gr9 h SER 89 CO 0.49 0.56 0.00 0.35 -0.87 0.00 0.00 176.83 177.36 3gr9 n THR 90 N -4.58 0.03 0.18 2.95 -2.24 -1.26 -2.12 114.28 107.24 3gr9 n THR 90 Ca 0.16 -0.03 0.07 0.00 -2.27 0.00 0.00 64.05 61.97 3gr9 n THR 90 Cb 0.25 -0.12 0.22 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.18 0.63 0.01 4.28 2.02 -1.28 -3.39 112.91 115.36 3gr9 h THR 91 Ca 0.00 -1.62 -0.41 0.00 0.77 0.00 0.00 66.41 65.15 3gr9 h THR 91 Cb 0.04 2.11 -0.06 0.00 -1.74 0.00 0.00 68.15 68.49 3gr9 h THR 91 CO 0.00 0.32 -2.41 -1.22 0.37 0.00 0.00 175.52 172.58 3gr9 n TYR 92 N -3.28 0.16 -0.32 3.16 4.01 -0.90 -4.72 117.16 115.28 3gr9 n TYR 92 Ca 0.01 0.04 0.15 0.00 -0.16 0.00 0.00 57.90 57.95 3gr9 n TYR 92 Cb 0.59 -1.02 0.31 0.00 -0.31 0.00 0.00 39.34 38.90 3gr9 n TYR 92 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3gr9 h TYR 93 N -0.41 0.19 -1.00 -0.72 0.05 -1.74 -1.61 116.97 111.74 3gr9 h TYR 93 Ca -0.60 0.06 0.12 0.00 0.05 0.00 0.00 58.73 58.36 3gr9 h TYR 93 Cb 1.78 0.07 -0.08 0.00 1.01 0.00 0.00 36.73 39.50 3gr9 h TYR 93 CO -0.01 -0.33 0.63 -1.35 -1.05 0.00 0.00 178.16 176.05 3gr9 h PRO 94 N 0.09 0.96 0.46 4.88 0.11 -1.84 1.02 132.00 137.69 3gr9 h PRO 94 Ca 0.59 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.62 3gr9 h PRO 94 Cb 1.24 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3gr9 h PRO 94 CO -0.78 0.64 -0.22 -0.07 -0.21 0.00 0.00 178.00 177.35 3gr9 h LEU 95 N 0.99 -0.53 -0.71 2.35 3.38 -1.59 0.11 115.31 119.32 3gr9 h LEU 95 Ca 0.50 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.53 3gr9 h LEU 95 Cb 0.49 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 3gr9 h LEU 95 CO -0.26 -0.28 0.32 -0.61 0.09 0.00 0.00 178.44 177.69 3gr9 h GLN 96 N -0.75 0.50 0.00 1.13 -0.00 -1.20 0.11 115.11 114.91 3gr9 h GLN 96 Ca -0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.54 3gr9 h GLN 96 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.90 3gr9 h GLN 96 CO 0.10 0.33 -0.08 1.96 0.00 0.00 0.00 178.83 181.15 3gr9 h GLN 97 N 0.52 0.00 -0.61 1.69 4.20 0.16 -2.67 115.11 118.39 3gr9 h GLN 97 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3gr9 h GLN 97 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3gr9 h GLN 97 CO -0.32 0.08 0.00 0.66 -0.67 0.00 0.00 178.83 178.58 3gr9 n TYR 98 N -3.23 1.71 -2.99 2.96 4.02 0.35 -4.91 117.16 115.07 3gr9 n TYR 98 Ca 0.00 -0.66 -0.22 0.00 -0.01 0.00 0.00 57.90 57.00 3gr9 n TYR 98 Cb 0.33 -0.35 0.03 0.00 -0.02 0.00 0.00 39.34 39.33 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 0.89 -0.52 3.89 2.72 0.00 -0.86 -4.49 105.19 106.81 3gr9 n GLY 99 Ca 0.27 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 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 -6.65 3.77 -0.48 0.99 1.43 -0.47 -1.32 118.68 115.95 3gr9 s LEU 100 Ca 0.29 1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 54.23 3gr9 s LEU 100 Cb -0.13 -3.92 0.05 0.00 0.03 0.00 0.00 46.19 42.23 3gr9 s LEU 100 CO 0.35 -0.46 0.52 -0.60 0.23 0.00 0.00 176.35 176.40 3gr9 s ARG 101 N -4.18 3.07 -0.13 1.70 3.52 0.11 -4.53 118.95 118.51 3gr9 s ARG 101 Ca 0.49 -1.00 -0.24 0.00 -0.13 0.00 0.00 55.73 54.85 3gr9 s ARG 101 Cb -0.10 -4.08 -0.02 0.00 -1.56 0.00 0.00 34.95 29.18 3gr9 s ARG 101 CO 0.37 -1.09 0.77 0.08 -0.81 0.00 0.00 175.30 174.62 3gr9 s VAL 102 N 2.23 4.95 -0.24 7.11 1.01 -0.55 0.24 120.40 135.16 3gr9 s VAL 102 Ca 0.11 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.64 3gr9 s VAL 102 Cb -0.20 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 32.14 3gr9 s VAL 102 CO 0.11 0.12 -0.10 -0.75 0.00 0.00 0.00 175.10 174.48 3gr9 s LYS 103 N 1.61 2.09 0.54 2.72 2.20 -0.40 -0.92 119.74 127.58 3gr9 s LYS 103 Ca 0.37 -1.14 -0.17 0.00 -0.36 0.00 0.00 55.97 54.67 3gr9 s LYS 103 Cb -0.17 -2.71 -0.06 0.00 -1.51 0.00 0.00 37.83 33.37 3gr9 s LYS 103 CO 0.15 -0.53 1.03 -0.06 -0.36 0.00 0.00 175.35 175.58 3gr9 s PHE 104 N 1.24 3.11 -0.00 4.03 0.40 -0.27 -2.13 117.98 124.35 3gr9 s PHE 104 Ca -0.06 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.80 3gr9 s PHE 104 Cb -0.19 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.38 3gr9 s PHE 104 CO -0.06 -0.81 -0.01 0.08 0.70 0.00 0.00 175.22 175.11 3gr9 s VAL 105 N -2.34 0.09 0.44 -0.44 1.01 -0.09 -1.57 120.40 117.50 3gr9 s VAL 105 Ca 0.63 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 3gr9 s VAL 105 Cb -0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 36.38 36.07 3gr9 s VAL 105 CO 0.29 0.03 1.11 -0.62 0.00 0.00 0.00 175.10 175.91 3gr9 s ASP 106 N 0.01 6.38 0.48 3.32 -1.08 -1.26 -1.03 116.67 123.48 3gr9 s ASP 106 Ca 0.00 2.16 -0.02 0.00 -0.52 0.00 0.00 52.55 54.17 3gr9 s ASP 106 Cb -0.01 -2.59 -0.01 0.00 -1.46 0.00 0.00 42.92 38.85 3gr9 s ASP 106 CO -0.00 -0.76 0.74 0.27 0.52 0.00 0.00 175.17 175.93 3gr9 s ILE 107 N -1.64 4.25 -0.10 4.11 -4.36 -1.26 -0.59 121.20 121.61 3gr9 s ILE 107 Ca 0.62 -0.22 -0.25 0.00 -0.26 0.00 0.00 60.65 60.54 3gr9 s ILE 107 Cb -0.25 -3.60 -0.03 0.00 1.25 0.00 0.00 42.46 39.83 3gr9 s ILE 107 CO 0.30 -0.51 0.80 -0.62 0.24 0.00 0.00 174.94 175.15 3gr9 s ASP 108 N -4.19 7.03 0.60 4.36 -1.08 0.11 -4.55 116.67 118.94 3gr9 s ASP 108 Ca 0.48 1.25 0.35 0.00 -0.52 0.00 0.00 52.55 54.12 3gr9 s ASP 108 Cb -0.10 -2.45 1.89 0.00 -1.46 0.00 0.00 42.92 40.80 3gr9 s ASP 108 CO 0.41 -0.26 2.22 -0.29 0.52 0.00 0.00 175.17 177.76 3gr9 h ILE 109 N 4.95 0.27 0.20 4.11 6.09 -1.94 1.08 117.51 132.28 3gr9 h ILE 109 Ca -0.36 -0.22 -0.34 0.00 -1.37 0.00 0.00 64.86 62.57 3gr9 h ILE 109 Cb 1.17 1.16 0.02 0.00 0.47 0.00 0.00 36.82 39.64 3gr9 h ILE 109 CO 0.79 0.03 -1.63 0.78 -3.07 0.00 0.00 178.15 175.06 3gr9 h ASN 110 N 0.00 0.67 0.06 2.19 2.35 -1.94 -3.39 115.58 115.53 3gr9 h ASN 110 Ca -0.00 -0.87 -0.23 0.00 -0.55 0.00 0.00 56.30 54.65 3gr9 h ASN 110 Cb 0.16 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 3gr9 h ASN 110 CO 0.00 1.72 -2.18 0.35 -1.65 0.00 0.00 177.43 175.67 3gr9 n THR 111 N -3.62 0.90 -0.84 2.81 -2.24 -1.14 0.21 114.28 110.36 3gr9 n THR 111 Ca -0.21 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 3gr9 n THR 111 Cb 1.08 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 3gr9 n THR 111 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gr9 n LEU 112 N -2.59 0.01 -4.98 3.22 4.77 0.37 -4.74 117.00 113.06 3gr9 n LEU 112 Ca -0.21 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.56 3gr9 n LEU 112 Cb 0.93 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 42.03 3gr9 n LEU 112 CO 0.44 -0.00 0.27 0.20 -1.33 0.00 0.00 177.39 176.97 3gr9 s ASN 113 N -3.15 5.56 0.44 -1.43 0.01 -1.26 -4.67 114.94 110.44 3gr9 s ASN 113 Ca 0.00 -0.04 -0.22 0.00 -0.71 0.00 0.00 52.86 51.89 3gr9 s ASN 113 Cb 0.00 -1.02 -0.13 0.00 0.41 0.00 0.00 41.25 40.51 3gr9 s ASN 113 CO 0.00 -0.89 0.44 0.00 -1.51 0.00 0.00 177.10 175.15 3gr9 n ILE 114 N -2.11 1.57 -2.63 0.60 3.06 -1.26 0.06 119.36 118.65 3gr9 n ILE 114 Ca 0.05 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.38 3gr9 n ILE 114 Cb 0.59 -0.45 -0.02 0.00 0.54 0.00 0.00 39.64 40.30 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 -0.98 6.78 0.00 9.51 2.15 0.24 -4.25 116.67 130.13 3gr9 s ASP 115 Ca 0.63 0.76 0.00 0.00 0.43 0.00 0.00 52.55 54.37 3gr9 s ASP 115 Cb -0.59 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.49 3gr9 s ASP 115 CO 0.59 -1.04 0.90 -0.38 -0.17 0.00 0.00 175.17 175.06 3gr9 n ILE 116 N 6.30 0.00 -0.28 4.11 2.08 -1.26 -0.82 119.36 129.49 3gr9 n ILE 116 Ca 0.12 1.40 0.34 0.00 0.56 0.00 0.00 62.75 65.16 3gr9 n ILE 116 Cb 0.48 -2.31 0.72 0.00 -0.75 0.00 0.00 39.64 37.79 3gr9 n ILE 116 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3gr9 h GLU 117 N 0.00 0.00 0.52 0.38 4.39 -1.99 0.19 114.58 118.07 3gr9 h GLU 117 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3gr9 h GLU 117 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3gr9 h GLU 117 CO 0.00 0.00 -0.25 0.77 -1.16 0.00 0.00 179.01 178.37 3gr9 h SER 118 N 0.00 -0.60 -0.75 1.42 0.02 -1.88 -3.07 113.55 108.70 3gr9 h SER 118 Ca 0.53 0.02 0.15 0.00 -0.84 0.00 0.00 61.79 61.65 3gr9 h SER 118 Cb 2.30 0.15 -0.14 0.00 0.14 0.00 0.00 62.40 64.85 3gr9 h SER 118 CO -0.01 -0.29 -0.18 -0.11 -1.14 0.00 0.00 176.83 175.10 3gr9 n LEU 119 N -4.66 -0.27 -0.33 5.07 7.94 0.52 0.31 117.00 125.58 3gr9 n LEU 119 Ca -0.09 1.29 0.27 0.00 -1.11 0.00 0.00 56.01 56.38 3gr9 n LEU 119 Cb 0.28 -0.39 0.51 0.00 0.53 0.00 0.00 43.42 44.34 3gr9 n LEU 119 CO 0.21 -1.24 1.04 0.50 -1.11 0.00 0.00 177.39 176.79 3gr9 h LYS 120 N 0.00 0.11 0.00 1.96 1.63 -1.03 0.54 116.57 119.77 3gr9 h LYS 120 Ca 0.36 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.06 3gr9 h LYS 120 Cb 0.56 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 3gr9 h LYS 120 CO -0.77 0.07 -1.13 0.93 -3.45 0.00 0.00 179.45 175.09 3gr9 h GLU 121 N 0.11 0.00 -0.27 1.90 3.07 0.48 -3.36 114.58 116.51 3gr9 h GLU 121 Ca 0.77 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.54 3gr9 h GLU 121 Cb 1.91 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.82 3gr9 h GLU 121 CO -0.73 0.18 -0.19 0.00 -1.40 0.00 0.00 179.01 176.88 3gr9 h ALA 122 N 1.67 0.38 -2.46 3.43 0.00 0.96 -3.43 119.26 119.81 3gr9 h ALA 122 Ca -0.08 -0.35 -0.53 0.00 0.00 0.00 0.00 54.91 53.94 3gr9 h ALA 122 Cb 1.33 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.05 3gr9 h ALA 122 CO 0.03 0.31 0.93 0.08 0.00 0.00 0.00 179.25 180.59 3gr9 s VAL 123 N -4.48 3.13 0.09 0.00 1.01 -0.23 -4.95 120.40 114.97 3gr9 s VAL 123 Ca -0.13 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.50 3gr9 s VAL 123 Cb 0.08 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 3gr9 s VAL 123 CO 0.80 0.01 0.04 0.35 0.00 0.00 0.00 175.10 176.30 3gr9 n THR 124 N 4.55 0.00 0.09 3.92 -2.24 -1.26 -5.01 114.28 114.33 3gr9 n THR 124 Ca 0.15 -0.55 0.01 0.00 -2.27 0.00 0.00 64.05 61.39 3gr9 n THR 124 Cb 0.41 0.21 0.05 0.00 -2.10 0.00 0.00 70.33 68.91 3gr9 n THR 124 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gr9 n ASP 125 N -2.10 0.00 -0.16 3.42 9.92 -1.26 -1.72 116.55 124.65 3gr9 n ASP 125 Ca -0.01 0.35 0.03 0.00 -0.53 0.00 0.00 54.79 54.63 3gr9 n ASP 125 Cb 0.14 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 3gr9 n ASP 125 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3gr9 n SER 126 N -1.37 1.05 -4.67 -2.24 3.41 -1.26 -4.95 113.62 103.60 3gr9 n SER 126 Ca 0.01 -1.03 -0.43 0.00 -0.26 0.00 0.00 58.87 57.17 3gr9 n SER 126 Cb 0.02 0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.89 4.05 -0.08 6.66 2.01 -0.70 -3.84 115.64 122.85 3gr9 s THR 127 Ca 0.05 1.32 0.17 0.00 0.31 0.00 0.00 61.69 63.54 3gr9 s THR 127 Cb 0.05 -3.85 -0.25 0.00 0.01 0.00 0.00 72.50 68.46 3gr9 s THR 127 CO 0.13 -0.07 0.27 0.29 -0.69 0.00 0.00 174.62 174.55 3gr9 n LYS 128 N 6.18 0.83 -3.60 4.92 4.76 -0.40 -4.84 118.16 126.01 3gr9 n LYS 128 Ca 0.14 -0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 3gr9 n LYS 128 Cb 0.44 -1.42 -0.06 0.00 -1.84 0.00 0.00 35.03 32.15 3gr9 n LYS 128 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gr9 s ALA 129 N -2.92 -1.87 -0.17 7.82 0.00 -1.21 -2.04 121.76 121.38 3gr9 s ALA 129 Ca -0.07 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3gr9 s ALA 129 Cb 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.28 3gr9 s ALA 129 CO 0.71 -0.31 -0.16 0.42 0.00 0.00 0.00 175.76 176.43 3gr9 s ILE 130 N -0.26 2.54 -0.32 0.00 1.01 0.38 -0.71 121.20 123.83 3gr9 s ILE 130 Ca -0.02 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 3gr9 s ILE 130 Cb -0.03 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.38 3gr9 s ILE 130 CO 0.01 0.51 0.10 -0.22 0.00 0.00 0.00 174.94 175.34 3gr9 s LEU 131 N 0.99 4.10 0.29 2.97 2.96 0.19 -0.44 118.68 129.74 3gr9 s LEU 131 Ca -0.02 -0.89 0.07 0.00 -0.22 0.00 0.00 54.13 53.07 3gr9 s LEU 131 Cb -0.15 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3gr9 s LEU 131 CO -0.03 -0.26 0.31 0.42 -1.32 0.00 0.00 176.35 175.47 3gr9 s THR 132 N 1.47 4.24 -0.06 3.68 -4.23 0.33 -4.27 115.64 116.80 3gr9 s THR 132 Ca 0.01 -1.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.29 3gr9 s THR 132 Cb -0.18 -3.42 0.02 0.00 1.34 0.00 0.00 72.50 70.26 3gr9 s THR 132 CO 0.03 -0.25 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.10 3gr9 s VAL 133 N -2.17 0.77 -0.55 2.29 1.01 -1.26 0.23 120.40 120.72 3gr9 s VAL 133 Ca 0.38 -0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 3gr9 s VAL 133 Cb -0.08 -0.76 0.07 0.00 0.00 0.00 0.00 36.38 35.61 3gr9 s VAL 133 CO 0.27 0.28 0.70 0.20 0.00 0.00 0.00 175.10 176.56 3gr9 s ASN 134 N 1.00 6.21 0.22 3.32 0.01 -0.93 -4.71 114.94 120.06 3gr9 s ASN 134 Ca -0.09 -1.06 -0.30 0.00 -0.71 0.00 0.00 52.86 50.69 3gr9 s ASN 134 Cb -0.14 -2.31 -0.10 0.00 0.41 0.00 0.00 41.25 39.10 3gr9 s ASN 134 CO -0.00 -1.03 1.43 -0.22 -1.51 0.00 0.00 177.10 175.77 3gr9 s LEU 135 N 2.85 4.39 -1.69 0.60 2.96 -1.12 -4.13 118.68 122.53 3gr9 s LEU 135 Ca 0.15 2.60 -0.20 0.00 -0.22 0.00 0.00 54.13 56.46 3gr9 s LEU 135 Cb -0.20 -3.61 0.19 0.00 0.50 0.00 0.00 46.19 43.06 3gr9 s LEU 135 CO 0.10 -0.69 0.65 0.18 -1.32 0.00 0.00 176.35 175.28 3gr9 n LEU 136 N 2.71 -1.21 0.00 -0.68 4.77 -1.26 -0.05 117.00 121.27 3gr9 n LEU 136 Ca 0.08 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 3gr9 n LEU 136 Cb 0.40 -1.81 0.00 0.00 -2.33 0.00 0.00 43.42 39.68 3gr9 n LEU 136 CO 0.60 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3gr9 n GLY 137 N -1.18 2.99 3.66 -0.72 0.00 -0.24 -0.82 105.19 108.88 3gr9 n GLY 137 Ca 0.09 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 0.82 6.77 0.39 1.61 2.47 0.93 -2.37 114.94 125.55 3gr9 s ASN 138 Ca 0.00 2.06 -0.13 0.00 0.42 0.00 0.00 52.86 55.21 3gr9 s ASN 138 Cb 0.00 -2.54 -0.08 0.00 -1.45 0.00 0.00 41.25 37.18 3gr9 s ASN 138 CO 0.00 -0.86 0.79 -2.16 -3.72 0.00 0.00 177.10 171.16 3gr9 s PRO 139 N 3.70 3.91 0.83 0.43 0.04 -1.25 -2.80 135.00 139.86 3gr9 s PRO 139 Ca 0.67 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.24 3gr9 s PRO 139 Cb -0.30 -2.36 0.09 0.00 0.04 0.00 0.00 34.50 31.97 3gr9 s PRO 139 CO 0.25 0.01 1.10 -0.80 0.04 0.00 0.00 177.00 177.59 3gr9 s ASN 140 N -2.76 4.00 -0.84 6.66 0.01 -1.26 -4.53 114.94 116.21 3gr9 s ASN 140 Ca 0.54 1.78 -0.26 0.00 -0.71 0.00 0.00 52.86 54.21 3gr9 s ASN 140 Cb -0.10 -2.44 0.03 0.00 0.41 0.00 0.00 41.25 39.16 3gr9 s ASN 140 CO 0.25 -2.35 1.37 0.21 -1.51 0.00 0.00 177.10 175.07 3gr9 s ASN 141 N -3.30 6.25 0.40 -1.22 3.84 -1.26 -4.81 114.94 114.83 3gr9 s ASN 141 Ca 0.62 -0.80 0.21 0.00 0.21 0.00 0.00 52.86 53.11 3gr9 s ASN 141 Cb -0.18 -2.56 0.65 0.00 -0.55 0.00 0.00 41.25 38.61 3gr9 s ASN 141 CO 0.57 -1.75 1.71 -0.26 -2.79 0.00 0.00 177.10 174.58 3gr9 h PHE 142 N 10.09 0.00 -0.16 0.43 0.04 -1.99 -1.72 116.94 123.63 3gr9 h PHE 142 Ca -0.10 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.59 3gr9 h PHE 142 Cb 1.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 3gr9 h PHE 142 CO 1.18 0.29 -0.25 -0.44 -0.60 0.00 0.00 178.31 178.49 3gr9 h ASP 143 N 0.00 0.29 0.07 2.17 3.32 -2.00 -1.26 116.42 119.01 3gr9 h ASP 143 Ca -0.00 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3gr9 h ASP 143 Cb 0.93 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3gr9 h ASP 143 CO 0.04 0.54 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.74 3gr9 h GLU 144 N 0.26 -0.09 -0.31 3.56 3.07 -1.83 -2.89 114.58 116.35 3gr9 h GLU 144 Ca 0.04 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.97 3gr9 h GLU 144 Cb 0.59 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.43 3gr9 h GLU 144 CO 0.04 0.49 -0.38 0.82 -1.40 0.00 0.00 179.01 178.57 3gr9 h ILE 145 N -0.87 0.18 -0.66 3.13 1.08 -1.32 0.02 117.51 119.07 3gr9 h ILE 145 Ca -0.01 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.64 3gr9 h ILE 145 Cb 0.61 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.51 3gr9 h ILE 145 CO 0.02 0.00 0.47 0.78 -0.69 0.00 0.00 178.15 178.72 3gr9 h ASN 146 N -0.35 0.08 -0.09 1.72 2.35 -1.28 0.11 115.58 118.11 3gr9 h ASN 146 Ca 0.13 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.74 3gr9 h ASN 146 Cb 0.58 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.94 3gr9 h ASN 146 CO -0.50 0.04 -0.52 0.50 -1.65 0.00 0.00 177.43 175.30 3gr9 h LYS 147 N 0.08 0.52 -0.86 0.81 3.64 -0.82 0.28 116.57 120.22 3gr9 h LYS 147 Ca 0.32 -0.43 0.10 0.00 -1.27 0.00 0.00 60.65 59.37 3gr9 h LYS 147 Cb 1.15 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.98 3gr9 h LYS 147 CO -0.03 1.06 0.50 0.82 -2.27 0.00 0.00 179.45 179.53 3gr9 h ILE 148 N 0.11 0.91 -0.17 2.00 2.04 0.48 -0.52 117.51 122.35 3gr9 h ILE 148 Ca -0.04 -0.28 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 3gr9 h ILE 148 Cb 1.17 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3gr9 h ILE 148 CO 0.11 0.15 -0.40 0.40 0.00 0.00 0.00 178.15 178.41 3gr9 h ILE 149 N 0.83 1.34 -6.63 -0.67 2.04 -1.06 -3.48 117.51 109.88 3gr9 h ILE 149 Ca 0.42 -1.65 -0.53 0.00 1.00 0.00 0.00 64.86 64.10 3gr9 h ILE 149 Cb 0.39 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 3gr9 h ILE 149 CO -0.25 0.50 -0.95 0.61 0.00 0.00 0.00 178.15 178.06 3gr9 n GLY 150 N 0.48 -0.58 2.19 5.37 0.00 0.97 -2.90 105.19 110.73 3gr9 n GLY 150 Ca -0.06 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.02 1.97 3.82 -0.02 0.00 -1.26 -5.05 105.19 102.63 3gr9 n GLY 151 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3gr9 n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gr9 s ARG 152 N -0.27 2.19 -1.32 1.61 0.52 -1.14 -4.94 118.95 115.60 3gr9 s ARG 152 Ca 0.00 0.59 -0.16 0.00 -0.52 0.00 0.00 55.73 55.64 3gr9 s ARG 152 Cb 0.00 -1.93 0.09 0.00 0.52 0.00 0.00 34.95 33.63 3gr9 s ARG 152 CO 0.00 -1.54 1.80 -3.47 0.02 0.00 0.00 175.30 172.11 3gr9 n ASP 153 N -3.37 4.78 -3.84 0.23 -0.08 -1.26 -4.87 116.55 108.14 3gr9 n ASP 153 Ca 0.07 -2.93 -0.26 0.00 -1.51 0.00 0.00 54.79 50.16 3gr9 n ASP 153 Cb 0.57 -1.67 -0.17 0.00 2.34 0.00 0.00 41.12 42.18 3gr9 n ASP 153 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3gr9 s ILE 154 N 3.19 0.82 0.27 5.18 1.01 -1.26 -4.86 121.20 125.55 3gr9 s ILE 154 Ca 0.49 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 3gr9 s ILE 154 Cb 0.05 -1.01 -0.10 0.00 0.01 0.00 0.00 42.46 41.41 3gr9 s ILE 154 CO 0.02 0.15 1.36 -0.63 0.00 0.00 0.00 174.94 175.85 3gr9 s ILE 155 N 1.77 2.78 -0.05 2.92 1.01 -0.86 -4.84 121.20 123.93 3gr9 s ILE 155 Ca 0.02 0.70 -0.00 0.00 0.00 0.00 0.00 60.65 61.37 3gr9 s ILE 155 Cb -0.14 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 3gr9 s ILE 155 CO -0.07 0.13 -0.00 -0.22 0.00 0.00 0.00 174.94 174.78 3gr9 s LEU 156 N -0.86 3.53 0.01 2.97 2.96 -1.26 -0.47 118.68 125.56 3gr9 s LEU 156 Ca 0.55 0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 54.53 3gr9 s LEU 156 Cb -0.40 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 3gr9 s LEU 156 CO 0.46 0.34 -0.01 -0.76 -1.32 0.00 0.00 176.35 175.06 3gr9 s LEU 157 N -1.13 2.11 0.08 -0.68 1.43 0.41 -1.40 118.68 119.50 3gr9 s LEU 157 Ca 0.16 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 3gr9 s LEU 157 Cb -0.11 0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.16 3gr9 s LEU 157 CO 0.05 -0.18 -0.20 -1.61 0.23 0.00 0.00 176.35 174.63 3gr9 s GLU 158 N -0.88 1.85 -0.37 1.70 2.02 -1.15 0.12 118.70 122.00 3gr9 s GLU 158 Ca -0.10 -1.11 -0.05 0.00 0.02 0.00 0.00 54.97 53.74 3gr9 s GLU 158 Cb -0.06 -2.10 0.07 0.00 0.10 0.00 0.00 34.13 32.15 3gr9 s GLU 158 CO -0.01 0.51 0.14 0.34 0.02 0.00 0.00 175.26 176.26 3gr9 s ASP 159 N -1.71 5.26 -0.38 -0.19 -1.08 0.14 -2.58 116.67 116.12 3gr9 s ASP 159 Ca 0.15 -1.53 0.06 0.00 -0.52 0.00 0.00 52.55 50.71 3gr9 s ASP 159 Cb -0.10 -1.84 0.52 0.00 -1.46 0.00 0.00 42.92 40.04 3gr9 s ASP 159 CO 0.06 -0.42 1.59 -3.20 0.52 0.00 0.00 175.17 173.73 3gr9 n ASN 160 N 4.72 3.81 0.00 -0.34 5.15 0.93 -2.19 115.26 127.34 3gr9 n ASN 160 Ca -0.09 -3.76 0.07 0.00 -0.60 0.00 0.00 54.58 50.20 3gr9 n ASN 160 Cb 0.43 -0.68 0.32 0.00 -0.53 0.00 0.00 39.78 39.31 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 -1.52 0.85 -1.37 0.00 1.02 -1.26 -4.23 120.64 114.12 3gr9 n GLU 162 Ca 0.03 -1.09 0.02 0.00 -0.02 0.00 0.00 57.16 56.10 3gr9 n GLU 162 Cb 0.17 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.07 0.54 -4.64 1.62 7.64 -1.12 -1.07 113.62 116.66 3gr9 n SER 163 Ca 0.03 -1.99 -0.39 0.00 1.01 0.00 0.00 58.87 57.53 3gr9 n SER 163 Cb 0.18 -0.17 0.04 0.00 -1.01 0.00 0.00 64.21 63.25 3gr9 n SER 163 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 3gr9 n MET 164 N 0.38 1.20 0.00 1.43 0.00 -1.22 -0.84 117.12 118.07 3gr9 n MET 164 Ca -0.01 0.45 0.00 0.00 -0.00 0.00 0.00 57.70 58.13 3gr9 n MET 164 Cb 1.04 -2.23 0.00 0.00 0.00 0.00 0.00 33.22 32.04 3gr9 n MET 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gr9 n GLY 165 N 1.14 2.97 3.76 -5.12 0.00 -1.26 -4.84 105.19 101.84 3gr9 n GLY 165 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3gr9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gr9 s ALA 166 N -1.45 2.30 0.02 4.61 0.00 -0.02 -4.82 121.76 122.41 3gr9 s ALA 166 Ca 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.41 3gr9 s ALA 166 Cb 0.00 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 3gr9 s ALA 166 CO 0.00 -1.59 0.14 0.95 0.00 0.00 0.00 175.76 175.27 3gr9 s THR 167 N -2.45 0.11 -0.02 0.00 -4.23 -0.73 -2.05 115.64 106.26 3gr9 s THR 167 Ca 0.67 -0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 60.30 3gr9 s THR 167 Cb -0.21 -0.71 0.03 0.00 1.34 0.00 0.00 72.50 72.95 3gr9 s THR 167 CO 0.47 -0.48 0.04 0.12 -0.54 0.00 0.00 174.62 174.23 3gr9 s PHE 168 N -2.09 0.04 -1.23 3.99 5.36 0.12 0.96 117.98 125.12 3gr9 s PHE 168 Ca -0.09 0.16 -0.10 0.00 -0.96 0.00 0.00 56.93 55.94 3gr9 s PHE 168 Cb -0.04 -0.30 -0.01 0.00 -0.34 0.00 0.00 43.02 42.33 3gr9 s PHE 168 CO -0.02 -0.11 0.69 0.09 -1.46 0.00 0.00 175.22 174.41 3gr9 n ASN 169 N 4.46 -3.26 -0.17 6.13 3.02 -1.26 0.73 115.26 124.91 3gr9 n ASN 169 Ca -0.22 -0.95 -0.02 0.00 -0.03 0.00 0.00 54.58 53.36 3gr9 n ASN 169 Cb 0.50 -3.57 -0.01 0.00 -0.61 0.00 0.00 39.78 36.09 3gr9 n ASN 169 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3gr9 n ASN 170 N -2.87 -3.75 -4.44 6.41 4.05 -1.26 -4.89 115.26 108.51 3gr9 n ASN 170 Ca -0.19 0.04 -0.31 0.00 0.45 0.00 0.00 54.58 54.57 3gr9 n ASN 170 Cb 0.64 -2.50 -0.13 0.00 1.23 0.00 0.00 39.78 39.01 3gr9 n ASN 170 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3gr9 s LYS 171 N -1.49 2.13 -0.02 1.20 2.20 0.22 -5.08 119.74 118.91 3gr9 s LYS 171 Ca 0.00 -0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 54.38 3gr9 s LYS 171 Cb 0.00 -2.19 -0.03 0.00 -1.51 0.00 0.00 37.83 34.10 3gr9 s LYS 171 CO 0.00 0.56 1.09 0.00 -0.36 0.00 0.00 175.35 176.64 3gr9 n ALA 173 N 4.43 -0.85 0.00 0.00 0.00 -0.87 -0.40 120.51 122.82 3gr9 n ALA 173 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3gr9 n ALA 173 Cb 0.48 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.99 3gr9 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gr9 n GLY 174 N 1.51 2.86 0.45 0.00 0.00 -1.26 -4.76 105.19 103.99 3gr9 n GLY 174 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 0.02 2.61 -2.24 0.46 -3.72 114.28 109.41 3gr9 n THR 175 Ca 0.00 -0.43 -0.19 0.00 -2.27 0.00 0.00 64.05 61.16 3gr9 n THR 175 Cb 0.00 1.23 -0.11 0.00 -2.10 0.00 0.00 70.33 69.36 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 2.21 0.82 -3.23 4.78 0.04 -1.86 -3.47 116.94 116.23 3gr9 h PHE 176 Ca 0.00 -0.44 -0.45 0.00 2.80 0.00 0.00 57.97 59.88 3gr9 h PHE 176 Cb 0.54 -0.10 0.08 0.00 2.20 0.00 0.00 35.95 38.67 3gr9 h PHE 176 CO 0.00 1.27 0.15 0.20 -0.60 0.00 0.00 178.31 179.33 3gr9 s GLY 177 N -4.17 1.74 0.28 -1.45 0.00 -1.26 -4.97 107.32 97.49 3gr9 s GLY 177 Ca -0.12 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.47 3gr9 s GLY 177 CO 0.87 -0.74 1.74 -2.00 0.00 0.00 0.00 173.10 172.97 3gr9 h LEU 178 N -0.47 0.50 -8.21 0.66 5.85 -1.58 -3.42 115.31 108.63 3gr9 h LEU 178 Ca -0.43 0.12 -0.25 0.00 0.84 0.00 0.00 57.88 58.16 3gr9 h LEU 178 Cb 1.30 0.05 -0.20 0.00 0.37 0.00 0.00 40.66 42.18 3gr9 h LEU 178 CO 0.54 0.14 -0.72 -0.04 -0.34 0.00 0.00 178.44 178.02 3gr9 s MET 179 N -5.91 0.58 -0.06 1.25 -1.94 -1.26 -4.33 119.30 107.63 3gr9 s MET 179 Ca -0.12 -0.89 -0.05 0.00 -1.71 0.00 0.00 55.69 52.92 3gr9 s MET 179 Cb 0.24 -0.22 0.01 0.00 2.01 0.00 0.00 34.83 36.87 3gr9 s MET 179 CO 0.78 0.02 0.15 0.20 -0.01 0.00 0.00 175.02 176.16 3gr9 s GLY 180 N -1.94 -0.11 0.11 -0.03 0.00 -0.81 -2.93 107.32 101.62 3gr9 s GLY 180 Ca -0.05 0.42 0.07 0.00 0.00 0.00 0.00 44.72 45.16 3gr9 s GLY 180 CO -0.01 0.37 -0.06 -0.51 0.00 0.00 0.00 173.10 172.88 3gr9 s THR 181 N 0.09 3.57 0.13 0.90 -4.23 -1.06 -0.91 115.64 114.13 3gr9 s THR 181 Ca -0.00 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 59.32 3gr9 s THR 181 Cb -0.01 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 3gr9 s THR 181 CO 0.00 0.07 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.68 3gr9 s PHE 182 N -1.34 1.29 -0.04 3.99 0.40 0.23 -0.05 117.98 122.46 3gr9 s PHE 182 Ca 0.24 -0.66 0.04 0.00 -0.60 0.00 0.00 56.93 55.94 3gr9 s PHE 182 Cb -0.11 -0.66 -0.00 0.00 0.51 0.00 0.00 43.02 42.76 3gr9 s PHE 182 CO 0.16 0.10 -0.16 0.45 0.70 0.00 0.00 175.22 176.47 3gr9 s SER 183 N -2.78 2.04 -0.36 1.36 0.15 -1.26 -1.81 113.70 111.04 3gr9 s SER 183 Ca 0.12 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.50 3gr9 s SER 183 Cb -0.01 -0.61 0.47 0.00 -1.71 0.00 0.00 66.02 64.16 3gr9 s SER 183 CO 0.02 0.13 1.45 -1.54 1.20 0.00 0.00 173.24 174.50 3gr9 n SER 184 N 3.23 4.44 -4.78 5.45 3.41 -0.78 -4.68 113.62 119.92 3gr9 n SER 184 Ca -0.19 -3.78 -0.38 0.00 -0.26 0.00 0.00 58.87 54.27 3gr9 n SER 184 Cb 0.53 -0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 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 -3.51 3.41 0.00 7.33 5.36 -1.25 0.20 117.98 129.51 3gr9 s PHE 185 Ca 0.51 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 58.16 3gr9 s PHE 185 Cb 0.43 -3.14 0.00 0.00 -0.34 0.00 0.00 43.02 39.97 3gr9 s PHE 185 CO 0.01 -0.48 0.00 0.98 -1.46 0.00 0.00 175.22 174.27 3gr9 n TYR 186 N 0.35 0.00 -2.40 10.12 9.36 -1.21 -4.49 117.16 128.88 3gr9 n TYR 186 Ca 0.03 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.84 3gr9 n TYR 186 Cb 0.48 -0.29 0.01 0.00 -0.63 0.00 0.00 39.34 38.91 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 -2.50 7.57 -0.09 2.98 6.94 -1.26 -4.68 115.26 124.22 3gr9 n ASN 187 Ca 0.00 -3.47 -0.11 0.00 -0.02 0.00 0.00 54.58 50.98 3gr9 n ASN 187 Cb 0.00 -1.25 0.03 0.00 -2.36 0.00 0.00 39.78 36.20 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 4.40 0.98 -3.96 -2.53 3.86 -1.87 -3.49 115.15 112.55 3gr9 h HIS 189 Ca 0.59 -0.28 -0.28 0.00 -1.16 0.00 0.00 60.37 59.25 3gr9 h HIS 189 Cb 0.32 -0.21 -0.21 0.00 1.06 0.00 0.00 27.41 28.37 3gr9 h HIS 189 CO 1.43 1.06 -0.73 0.96 0.86 0.00 0.00 177.93 181.51 3gr9 s ILE 190 N -4.41 0.55 -0.14 2.45 -4.36 -1.26 -5.01 121.20 109.02 3gr9 s ILE 190 Ca -0.10 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 3gr9 s ILE 190 Cb 0.12 -0.62 0.02 0.00 1.25 0.00 0.00 42.46 43.23 3gr9 s ILE 190 CO 0.86 -0.38 -0.13 0.00 0.24 0.00 0.00 174.94 175.53 3gr9 s ALA 191 N -1.39 1.73 -0.22 2.27 0.00 -1.26 -3.96 121.76 118.93 3gr9 s ALA 191 Ca -0.10 -0.81 0.11 0.00 0.00 0.00 0.00 51.96 51.16 3gr9 s ALA 191 Cb -0.10 -1.00 0.43 0.00 0.00 0.00 0.00 23.12 22.45 3gr9 s ALA 191 CO 0.00 -0.36 1.21 0.25 0.00 0.00 0.00 175.76 176.87 3gr9 n THR 192 N 4.76 2.23 0.00 0.00 -2.24 0.52 -4.84 114.28 114.70 3gr9 n THR 192 Ca -0.16 -3.39 0.00 0.00 -2.27 0.00 0.00 64.05 58.23 3gr9 n THR 192 Cb 0.50 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.01 0.00 -3.86 -0.78 2.81 -1.25 -4.59 117.12 108.44 3gr9 n MET 193 Ca 0.23 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 56.02 3gr9 n MET 193 Cb 0.75 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 33.17 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 0.61 0.00 0.03 0.41 -1.26 -3.31 118.70 115.18 3gr9 s GLU 194 Ca 0.00 -0.53 0.00 0.00 -0.41 0.00 0.00 54.97 54.03 3gr9 s GLU 194 Cb 0.00 0.25 0.00 0.00 -1.78 0.00 0.00 34.13 32.60 3gr9 s GLU 194 CO 0.00 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.02 3gr9 n GLY 195 N 1.00 1.74 3.76 -1.39 0.00 -1.11 -4.83 105.19 104.37 3gr9 n GLY 195 Ca -0.20 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 3gr9 n GLY 195 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gr9 s GLY 196 N 0.00 -0.19 -0.08 -0.02 0.00 -0.88 -1.87 107.32 104.28 3gr9 s GLY 196 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 44.72 44.60 3gr9 s GLY 196 CO 0.00 0.64 0.57 0.00 0.00 0.00 0.00 173.10 174.31 3gr9 s ILE 198 N -0.91 1.72 0.15 0.00 1.01 -0.64 -0.60 121.20 121.94 3gr9 s ILE 198 Ca -0.09 -0.91 0.10 0.00 0.00 0.00 0.00 60.65 59.75 3gr9 s ILE 198 Cb -0.02 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3gr9 s ILE 198 CO 0.07 0.49 -0.21 0.68 0.00 0.00 0.00 174.94 175.97 3gr9 s VAL 199 N -0.27 2.61 -0.00 2.92 -7.23 -0.08 -0.83 120.40 117.50 3gr9 s VAL 199 Ca 0.02 -1.74 -0.29 0.00 -1.81 0.00 0.00 61.98 58.16 3gr9 s VAL 199 Cb -0.11 -2.22 0.08 0.00 0.56 0.00 0.00 36.38 34.70 3gr9 s VAL 199 CO 0.01 0.00 0.71 0.28 -0.31 0.00 0.00 175.10 175.79 3gr9 s THR 200 N -1.36 0.00 -1.94 5.32 -1.32 -0.82 -1.92 115.64 113.60 3gr9 s THR 200 Ca 0.19 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.84 3gr9 s THR 200 Cb -0.09 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.13 3gr9 s THR 200 CO 0.10 0.00 1.15 0.47 -2.21 0.00 0.00 174.62 174.12 3gr9 n ASP 201 N 0.47 2.72 -4.49 8.08 8.00 -1.26 0.41 116.55 130.48 3gr9 n ASP 201 Ca -0.17 -1.80 -0.39 0.00 0.71 0.00 0.00 54.79 53.14 3gr9 n ASP 201 Cb 0.60 -0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.31 5.84 0.09 -2.24 2.15 -1.26 -4.84 116.67 115.09 3gr9 s ASP 202 Ca 0.25 -0.45 -0.29 0.00 0.43 0.00 0.00 52.55 52.49 3gr9 s ASP 202 Cb 0.16 -2.08 -0.15 0.00 -0.30 0.00 0.00 42.92 40.54 3gr9 s ASP 202 CO 0.22 -0.21 1.67 -0.08 -0.17 0.00 0.00 175.17 176.60 3gr9 h GLU 203 N 8.43 -0.51 -0.59 4.34 4.81 -1.99 -1.77 114.58 127.29 3gr9 h GLU 203 Ca -0.32 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.04 3gr9 h GLU 203 Cb 1.15 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.54 3gr9 h GLU 203 CO 0.62 -0.34 -0.41 1.49 -0.73 0.00 0.00 179.01 179.64 3gr9 h GLU 204 N -0.53 -0.20 -0.94 1.92 4.81 -1.95 0.13 114.58 117.82 3gr9 h GLU 204 Ca -0.04 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3gr9 h GLU 204 Cb 0.44 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 3gr9 h GLU 204 CO 0.04 -0.13 0.61 0.82 -0.73 0.00 0.00 179.01 179.62 3gr9 h ILE 205 N -0.21 1.12 0.09 2.32 1.08 -1.93 -1.74 117.51 118.25 3gr9 h ILE 205 Ca 0.20 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 3gr9 h ILE 205 Cb 0.56 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 3gr9 h ILE 205 CO -0.69 0.21 -0.12 0.22 -0.69 0.00 0.00 178.15 177.08 3gr9 h TYR 206 N 1.15 -0.30 -0.71 1.37 3.20 0.12 -0.51 116.97 121.29 3gr9 h TYR 206 Ca 0.39 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.34 3gr9 h TYR 206 Cb 0.07 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 3gr9 h TYR 206 CO -0.01 -0.18 0.38 0.45 -1.64 0.00 0.00 178.16 177.16 3gr9 h HIS 207 N -0.24 0.68 -0.38 -3.82 3.86 -0.83 0.55 115.15 114.97 3gr9 h HIS 207 Ca 0.01 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3gr9 h HIS 207 Cb 0.25 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 3gr9 h HIS 207 CO -0.13 0.29 0.24 0.82 0.86 0.00 0.00 177.93 180.00 3gr9 h ILE 208 N 0.66 1.07 -0.27 2.45 2.04 -0.54 0.94 117.51 123.86 3gr9 h ILE 208 Ca 0.34 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 66.07 3gr9 h ILE 208 Cb 0.29 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3gr9 h ILE 208 CO -0.23 0.09 0.04 -0.07 0.00 0.00 0.00 178.15 177.98 3gr9 h LEU 209 N 0.48 -0.02 -0.51 1.44 3.38 0.14 0.37 115.31 120.59 3gr9 h LEU 209 Ca 0.15 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.27 3gr9 h LEU 209 Cb -0.03 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.70 3gr9 h LEU 209 CO -0.05 0.02 -0.09 -0.07 0.09 0.00 0.00 178.44 178.34 3gr9 h LEU 210 N 0.13 -0.40 0.49 1.67 3.38 0.62 -0.22 115.31 120.98 3gr9 h LEU 210 Ca 0.13 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3gr9 h LEU 210 Cb 0.14 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3gr9 h LEU 210 CO -0.18 -0.14 -0.24 0.00 0.09 0.00 0.00 178.44 177.97 3gr9 n ILE 212 N -5.29 0.94 0.17 0.00 -5.35 0.11 -1.79 119.36 108.15 3gr9 n ILE 212 Ca -0.11 0.26 0.06 0.00 -0.27 0.00 0.00 62.75 62.68 3gr9 n ILE 212 Cb 0.31 -1.11 0.19 0.00 -1.74 0.00 0.00 39.64 37.29 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 0.00 -3.20 6.28 2.43 -1.06 -2.10 114.38 116.74 3gr9 h ARG 213 Ca 0.00 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.56 3gr9 h ARG 213 Cb 0.30 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.45 3gr9 h ARG 213 CO 0.00 0.38 -0.74 0.00 -1.51 0.00 0.00 179.97 178.10 3gr9 s ALA 214 N -3.24 2.10 -0.53 2.80 0.00 -1.11 -0.07 121.76 121.69 3gr9 s ALA 214 Ca 0.03 -2.43 0.00 0.00 0.00 0.00 0.00 51.96 49.56 3gr9 s ALA 214 Cb 0.09 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.36 3gr9 s ALA 214 CO 0.70 -1.97 0.00 0.72 0.00 0.00 0.00 175.76 175.22 3gr9 n HIS 215 N 3.83 -0.46 -2.01 0.00 8.25 -0.27 -1.95 115.22 122.61 3gr9 n HIS 215 Ca 0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.35 3gr9 n HIS 215 Cb 0.36 -1.60 -0.04 0.00 1.12 0.00 0.00 29.99 29.83 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 0.01 0.48 0.67 -1.41 0.00 -0.74 -4.82 105.19 99.38 3gr9 n GLY 216 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 3gr9 n GLY 216 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3gr9 n TRP 217 N -3.05 -3.57 0.12 1.61 2.14 -0.82 -1.46 117.44 112.41 3gr9 n TRP 217 Ca -0.19 -0.27 0.02 0.00 2.07 0.00 0.00 57.50 59.13 3gr9 n TRP 217 Cb 0.62 -0.15 0.02 0.00 -0.81 0.00 0.00 31.31 31.00 3gr9 n TRP 217 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3gr9 n THR 218 N -1.89 0.18 -0.27 -1.67 -2.24 -1.23 -4.56 114.28 102.59 3gr9 n THR 218 Ca 0.03 -0.59 0.12 0.00 -2.27 0.00 0.00 64.05 61.34 3gr9 n THR 218 Cb 0.10 0.97 0.37 0.00 -2.10 0.00 0.00 70.33 69.68 3gr9 n THR 218 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3gr9 h ARG 219 N 0.75 0.68 -0.19 -0.78 3.08 -1.91 -1.49 114.38 114.51 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 0.24 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3gr9 h ARG 219 CO 0.00 0.45 0.00 0.09 -1.07 0.00 0.00 179.97 179.44 3gr9 n ASN 220 N -4.57 1.85 -4.77 7.04 5.03 -1.26 -4.86 115.26 113.72 3gr9 n ASN 220 Ca 0.18 -1.75 -0.37 0.00 0.87 0.00 0.00 54.58 53.51 3gr9 n ASN 220 Cb 0.47 -0.12 -0.07 0.00 -1.02 0.00 0.00 39.78 39.05 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 -1.55 4.32 0.57 3.41 1.43 -0.56 -4.97 118.68 121.33 3gr9 s LEU 221 Ca 0.33 0.67 -0.20 0.00 -1.03 0.00 0.00 54.13 53.89 3gr9 s LEU 221 Cb 0.18 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 3gr9 s LEU 221 CO 0.26 0.16 1.11 -0.81 0.23 0.00 0.00 176.35 177.31 3gr9 n PRO 222 N 3.03 1.20 -0.28 1.29 -0.04 -1.26 -4.86 135.00 134.08 3gr9 n PRO 222 Ca -0.12 0.45 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 3gr9 n PRO 222 Cb 0.52 -2.30 0.24 0.00 -0.04 0.00 0.00 33.50 31.92 3gr9 n PRO 222 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3gr9 h LYS 223 N 0.90 0.19 -4.98 0.54 3.11 -1.95 -3.29 116.57 111.09 3gr9 h LYS 223 Ca -0.49 -0.01 -0.65 0.00 -2.81 0.00 0.00 60.65 56.69 3gr9 h LYS 223 Cb 1.34 -0.04 -0.24 0.00 -1.00 0.00 0.00 32.23 32.29 3gr9 h LYS 223 CO 0.54 0.12 -0.66 0.21 -2.81 0.00 0.00 179.45 176.85 3gr9 s LYS 224 N -6.00 3.57 0.14 1.90 2.47 -1.26 0.10 119.74 120.66 3gr9 s LYS 224 Ca -0.13 -0.52 -0.07 0.00 -1.56 0.00 0.00 55.97 53.69 3gr9 s LYS 224 Cb 0.24 -3.21 -0.01 0.00 -1.46 0.00 0.00 37.83 33.39 3gr9 s LYS 224 CO 0.76 -0.17 0.22 0.54 0.16 0.00 0.00 175.35 176.87 3gr9 s ASN 225 N 1.52 0.11 0.22 1.43 2.20 0.15 -5.01 114.94 115.56 3gr9 s ASN 225 Ca 0.06 -0.88 0.25 0.00 -0.94 0.00 0.00 52.86 51.35 3gr9 s ASN 225 Cb -0.15 0.39 0.89 0.00 -2.00 0.00 0.00 41.25 40.39 3gr9 s ASN 225 CO 0.01 -0.83 1.75 0.29 -2.94 0.00 0.00 177.10 175.39 3gr9 n LYS 226 N -0.16 0.22 -0.10 3.55 4.76 -1.26 -2.71 118.16 122.45 3gr9 n LYS 226 Ca -0.09 0.29 -0.20 0.00 -2.87 0.00 0.00 58.31 55.44 3gr9 n LYS 226 Cb 0.63 -1.82 -0.10 0.00 -1.84 0.00 0.00 35.03 31.90 3gr9 n LYS 226 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3gr9 n VAL 227 N -2.21 1.52 -0.01 -0.18 0.31 -1.26 -4.70 118.33 111.79 3gr9 n VAL 227 Ca 0.04 -0.03 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 3gr9 n VAL 227 Cb 0.34 -2.07 -0.09 0.00 -0.91 0.00 0.00 33.84 31.10 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 -4.44 0.14 0.00 2.52 -2.24 -1.26 -5.08 114.28 103.92 3gr9 n THR 228 Ca -0.31 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3gr9 n THR 228 Cb 0.65 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 3gr9 n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gr9 n GLY 229 N 1.92 1.13 3.25 3.38 0.00 -1.10 -4.88 105.19 108.89 3gr9 n GLY 229 Ca -0.05 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 3gr9 n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gr9 s VAL 230 N 0.00 3.14 0.39 1.61 0.11 -1.26 0.35 120.40 124.74 3gr9 s VAL 230 Ca 0.00 -0.84 -0.27 0.00 -2.93 0.00 0.00 61.98 57.95 3gr9 s VAL 230 Cb 0.00 -2.55 -0.09 0.00 -1.53 0.00 0.00 36.38 32.21 3gr9 s VAL 230 CO 0.00 0.25 1.35 -0.54 -3.33 0.00 0.00 175.10 172.83 3gr9 s LYS 231 N 1.39 4.03 0.89 1.54 1.02 0.11 -5.02 119.74 123.70 3gr9 s LYS 231 Ca 0.02 2.26 -0.13 0.00 0.02 0.00 0.00 55.97 58.14 3gr9 s LYS 231 Cb -0.16 -2.84 0.13 0.00 -0.52 0.00 0.00 37.83 34.44 3gr9 s LYS 231 CO -0.03 -0.48 1.20 0.45 -0.92 0.00 0.00 175.35 175.56 3gr9 s SER 232 N -0.57 3.79 0.03 2.83 0.15 -1.26 -4.98 113.70 113.69 3gr9 s SER 232 Ca 0.55 0.71 0.23 0.00 0.70 0.00 0.00 55.95 58.14 3gr9 s SER 232 Cb -0.40 -1.11 0.12 0.00 -1.71 0.00 0.00 66.02 62.91 3gr9 s SER 232 CO 0.53 -2.35 1.10 0.47 1.20 0.00 0.00 173.24 174.19 3gr9 n ASP 233 N -3.59 0.65 -4.56 5.45 9.92 -1.26 -4.78 116.55 118.38 3gr9 n ASP 233 Ca 0.09 -0.35 -0.40 0.00 -0.53 0.00 0.00 54.79 53.60 3gr9 n ASP 233 Cb 0.60 0.69 -0.03 0.00 -0.64 0.00 0.00 41.12 41.74 3gr9 n ASP 233 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gr9 s ASP 234 N -3.54 6.19 0.23 -2.24 2.15 -1.26 -4.84 116.67 113.36 3gr9 s ASP 234 Ca 0.06 -0.86 -0.09 0.00 0.43 0.00 0.00 52.55 52.10 3gr9 s ASP 234 Cb 0.15 -2.56 0.37 0.00 -0.30 0.00 0.00 42.92 40.58 3gr9 s ASP 234 CO 0.79 -1.78 1.65 -0.61 -0.17 0.00 0.00 175.17 175.04 3gr9 h GLN 235 N 10.31 0.10 -0.36 4.34 5.75 -1.98 0.51 115.11 133.79 3gr9 h GLN 235 Ca -0.04 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.53 3gr9 h GLN 235 Cb 1.04 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 3gr9 h GLN 235 CO 1.34 0.07 0.25 0.35 -2.65 0.00 0.00 178.83 178.18 3gr9 h PHE 236 N 0.11 0.15 0.00 3.99 3.57 -1.99 -2.48 116.94 120.28 3gr9 h PHE 236 Ca 0.37 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.58 3gr9 h PHE 236 Cb 0.63 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 3gr9 h PHE 236 CO -0.41 0.08 -1.85 0.39 -2.23 0.00 0.00 178.31 174.30 3gr9 n GLU 237 N -4.46 0.56 -0.12 1.11 -0.58 0.76 -4.42 120.64 113.48 3gr9 n GLU 237 Ca 0.05 0.34 -0.05 0.00 -0.42 0.00 0.00 57.16 57.08 3gr9 n GLU 237 Cb 0.33 -1.55 0.03 0.00 -0.57 0.00 0.00 31.44 29.68 3gr9 n GLU 237 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3gr9 h GLU 238 N -1.00 0.21 0.00 3.49 4.57 -0.20 0.19 114.58 121.85 3gr9 h GLU 238 Ca -0.45 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3gr9 h GLU 238 Cb 1.36 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3gr9 h GLU 238 CO -0.27 0.14 0.04 0.43 -1.18 0.00 0.00 179.01 178.17 3gr9 n SER 239 N -5.09 0.00 -0.32 1.04 7.64 -0.94 -0.71 113.62 115.24 3gr9 n SER 239 Ca 0.03 0.44 0.08 0.00 1.01 0.00 0.00 58.87 60.43 3gr9 n SER 239 Cb 0.18 -0.44 0.17 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.44 0.19 -3.29 1.43 3.72 0.05 -4.92 117.46 113.20 3gr9 n PHE 240 Ca 0.00 -1.09 -0.39 0.00 -0.05 0.00 0.00 57.45 55.92 3gr9 n PHE 240 Cb 0.04 -0.21 -0.07 0.00 -0.94 0.00 0.00 39.48 38.30 3gr9 n PHE 240 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gr9 s LYS 241 N -2.95 4.12 -0.10 -1.08 1.02 0.11 -5.07 119.74 115.79 3gr9 s LYS 241 Ca 0.35 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.63 3gr9 s LYS 241 Cb 0.31 -3.60 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 3gr9 s LYS 241 CO 0.02 -0.21 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.07 3gr9 s PHE 242 N 1.86 2.85 0.00 3.18 0.08 -1.26 -3.57 117.98 121.12 3gr9 s PHE 242 Ca 0.21 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.98 3gr9 s PHE 242 Cb -0.15 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 3gr9 s PHE 242 CO 0.09 0.07 0.08 1.33 -0.10 0.00 0.00 175.22 176.69 3gr9 n VAL 243 N 2.85 0.00 -3.87 -0.44 0.24 -0.54 -5.01 118.33 111.57 3gr9 n VAL 243 Ca -0.18 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 61.90 3gr9 n VAL 243 Cb 0.53 1.63 -0.13 0.00 -1.47 0.00 0.00 33.84 34.40 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 -0.09 1.83 -1.12 1.34 1.02 -1.21 -5.07 118.68 115.38 3gr9 s LEU 244 Ca 0.00 0.01 -0.20 0.00 0.02 0.00 0.00 54.13 53.96 3gr9 s LEU 244 Cb 0.00 0.22 0.08 0.00 0.02 0.00 0.00 46.19 46.51 3gr9 s LEU 244 CO 0.00 -0.08 1.50 -2.16 0.02 0.00 0.00 176.35 175.62 3gr9 s PRO 245 N -0.27 3.78 0.00 1.29 0.04 -1.26 -4.27 135.00 134.31 3gr9 s PRO 245 Ca -0.03 -1.67 0.00 0.00 0.04 0.00 0.00 61.00 59.34 3gr9 s PRO 245 Cb -0.02 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.20 3gr9 s PRO 245 CO 0.00 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.34 3gr9 n GLY 246 N 5.88 3.70 1.11 0.56 0.00 -1.26 -5.05 105.19 110.13 3gr9 n GLY 246 Ca 0.37 -1.70 -0.06 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.43 -3.92 1.61 4.02 -0.79 -4.88 117.16 112.77 3gr9 n TYR 247 Ca 0.00 -0.91 -0.34 0.00 -0.01 0.00 0.00 57.90 56.64 3gr9 n TYR 247 Cb 0.00 0.13 -0.14 0.00 -0.02 0.00 0.00 39.34 39.31 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 -1.78 4.88 -0.06 7.72 2.47 -1.26 -1.11 114.94 125.80 3gr9 s ASN 248 Ca 0.12 -1.60 0.20 0.00 0.42 0.00 0.00 52.86 52.00 3gr9 s ASN 248 Cb 0.00 -1.70 0.39 0.00 -1.45 0.00 0.00 41.25 38.50 3gr9 s ASN 248 CO 0.09 -0.33 1.17 1.33 -3.72 0.00 0.00 177.10 175.64 3gr9 n VAL 249 N 4.53 0.70 -1.80 -5.21 0.24 0.90 -5.02 118.33 112.66 3gr9 n VAL 249 Ca -0.08 -1.62 -0.39 0.00 -2.04 0.00 0.00 64.34 60.20 3gr9 n VAL 249 Cb 0.42 0.57 0.03 0.00 -1.47 0.00 0.00 33.84 33.39 3gr9 n VAL 249 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3gr9 s ARG 250 N -1.03 3.48 0.55 7.34 0.52 -1.23 -1.04 118.95 127.55 3gr9 s ARG 250 Ca 0.33 2.35 -0.01 0.00 -0.52 0.00 0.00 55.73 57.88 3gr9 s ARG 250 Cb 0.35 -2.51 0.03 0.00 0.52 0.00 0.00 34.95 33.35 3gr9 s ARG 250 CO -0.12 -0.95 0.79 -1.25 0.02 0.00 0.00 175.30 173.78 3gr9 s PRO 251 N -2.62 2.64 0.28 3.54 0.04 -1.26 -4.37 135.00 133.24 3gr9 s PRO 251 Ca 0.65 -0.59 -0.02 0.00 0.04 0.00 0.00 61.00 61.08 3gr9 s PRO 251 Cb -0.42 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 3gr9 s PRO 251 CO 0.53 -0.69 0.50 -0.51 0.04 0.00 0.00 177.00 176.87 3gr9 s LEU 252 N -4.80 4.10 0.21 -3.56 1.43 -1.26 -3.55 118.68 111.25 3gr9 s LEU 252 Ca 0.55 0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 53.99 3gr9 s LEU 252 Cb -0.10 -3.34 0.17 0.00 0.03 0.00 0.00 46.19 42.95 3gr9 s LEU 252 CO 0.40 -0.17 1.56 -0.33 0.23 0.00 0.00 176.35 178.04 3gr9 h GLU 253 N 1.51 -0.07 -1.08 1.70 4.39 -1.75 0.02 114.58 119.30 3gr9 h GLU 253 Ca -0.48 0.00 0.30 0.00 0.34 0.00 0.00 59.36 59.52 3gr9 h GLU 253 Cb 1.20 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.81 3gr9 h GLU 253 CO 0.65 -0.05 0.75 0.52 -1.16 0.00 0.00 179.01 179.73 3gr9 h MET 254 N -0.07 0.11 0.00 2.33 2.86 -1.90 1.57 114.93 119.83 3gr9 h MET 254 Ca 0.29 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.82 3gr9 h MET 254 Cb 0.57 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3gr9 h MET 254 CO -0.86 0.08 -0.66 0.77 1.06 0.00 0.00 176.91 177.29 3gr9 h SER 255 N 0.12 0.00 -0.09 1.22 0.02 -1.25 -2.34 113.55 111.23 3gr9 h SER 255 Ca 0.54 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.35 3gr9 h SER 255 Cb 1.91 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.44 3gr9 h SER 255 CO -0.09 0.45 -0.42 1.23 -1.14 0.00 0.00 176.83 176.86 3gr9 h GLY 256 N 3.60 0.68 0.73 -3.77 0.00 0.26 -1.98 103.07 102.59 3gr9 h GLY 256 Ca -0.03 -0.70 -0.21 0.00 0.00 0.00 0.00 47.33 46.39 3gr9 h GLY 256 CO 0.05 0.63 -0.94 0.00 0.00 0.00 0.00 176.54 176.28 3gr9 h ALA 257 N 1.03 -0.07 -1.01 3.60 0.00 -1.08 -3.11 119.26 118.62 3gr9 h ALA 257 Ca 0.04 -0.75 0.04 0.00 0.00 0.00 0.00 54.91 54.24 3gr9 h ALA 257 Cb 0.94 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 3gr9 h ALA 257 CO 0.08 0.45 0.66 0.82 0.00 0.00 0.00 179.25 181.27 3gr9 h ILE 258 N -0.32 1.16 -0.21 0.00 2.04 -1.45 -2.59 117.51 116.14 3gr9 h ILE 258 Ca -0.17 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.30 3gr9 h ILE 258 Cb 1.71 -0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3gr9 h ILE 258 CO 0.15 0.23 -0.04 1.23 0.00 0.00 0.00 178.15 179.73 3gr9 h GLY 259 N 1.26 0.17 -0.26 5.37 0.00 -1.43 -1.89 103.07 106.28 3gr9 h GLY 259 Ca 0.41 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.86 3gr9 h GLY 259 CO -0.13 -0.07 -0.39 -2.22 0.00 0.00 0.00 176.54 173.73 3gr9 h ILE 260 N 0.02 0.15 -0.05 2.60 2.04 -1.39 0.28 117.51 121.16 3gr9 h ILE 260 Ca 0.10 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.99 3gr9 h ILE 260 Cb 0.14 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.32 3gr9 h ILE 260 CO -0.20 0.00 -0.43 -0.33 0.00 0.00 0.00 178.15 177.19 3gr9 h GLU 261 N -0.30 -0.54 -0.81 2.37 4.39 -1.33 -2.34 114.58 116.02 3gr9 h GLU 261 Ca 0.15 0.04 0.19 0.00 0.34 0.00 0.00 59.36 60.08 3gr9 h GLU 261 Cb 0.57 0.12 -0.12 0.00 -0.10 0.00 0.00 28.75 29.22 3gr9 h GLU 261 CO -0.57 -0.36 0.27 1.96 -1.16 0.00 0.00 179.01 179.16 3gr9 h GLN 262 N -0.56 0.32 -0.27 2.33 1.08 -0.49 -1.07 115.11 116.45 3gr9 h GLN 262 Ca 0.05 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.28 3gr9 h GLN 262 Cb 0.65 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.97 3gr9 h GLN 262 CO -0.35 0.21 0.02 -0.07 -0.95 0.00 0.00 178.83 177.69 3gr9 h LEU 263 N 0.33 -0.06 -2.63 1.46 3.38 -0.46 0.80 115.31 118.14 3gr9 h LEU 263 Ca 0.48 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3gr9 h LEU 263 Cb 0.86 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3gr9 h LEU 263 CO -0.52 0.00 0.02 0.11 0.09 0.00 0.00 178.44 178.14 3gr9 h LYS 264 N 0.11 0.00 0.01 1.13 1.57 -0.92 0.53 116.57 118.99 3gr9 h LYS 264 Ca 0.13 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.65 3gr9 h LYS 264 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3gr9 h LYS 264 CO -0.20 0.00 -1.39 0.87 -0.57 0.00 0.00 179.45 178.16 3gr9 h LYS 265 N 0.00 0.01 -0.65 3.15 6.56 0.27 -3.40 116.57 122.51 3gr9 h LYS 265 Ca 0.01 -0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.66 3gr9 h LYS 265 Cb 0.06 0.01 -0.10 0.00 -0.57 0.00 0.00 32.23 31.63 3gr9 h LYS 265 CO -0.00 0.75 -0.29 -0.11 -2.06 0.00 0.00 179.45 177.74 3gr9 n LEU 266 N -3.20 -0.50 -0.12 2.94 7.94 0.24 -1.41 117.00 122.89 3gr9 n LEU 266 Ca -0.09 1.13 0.25 0.00 -1.11 0.00 0.00 56.01 56.19 3gr9 n LEU 266 Cb 1.00 -0.23 0.69 0.00 0.53 0.00 0.00 43.42 45.42 3gr9 n LEU 266 CO 0.46 -0.99 1.23 1.55 -1.11 0.00 0.00 177.39 178.53 3gr9 h PRO 267 N 0.00 0.04 0.00 1.96 0.13 -1.79 -0.59 132.00 131.75 3gr9 h PRO 267 Ca 0.19 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3gr9 h PRO 267 Cb 0.35 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 3gr9 h PRO 267 CO -0.63 0.02 -0.06 0.00 -0.23 0.00 0.00 178.00 177.11 3gr9 h ARG 268 N 0.04 0.00 -0.57 0.86 -0.00 -1.55 -2.73 114.38 110.43 3gr9 h ARG 268 Ca 0.36 0.00 0.07 0.00 -0.50 0.00 0.00 59.98 59.91 3gr9 h ARG 268 Cb 1.40 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 31.29 3gr9 h ARG 268 CO -0.02 0.10 -0.28 1.19 0.00 0.00 0.00 179.97 180.96 3gr9 n PHE 269 N -4.75 -0.11 0.23 3.04 3.01 -0.97 -0.74 117.46 117.17 3gr9 n PHE 269 Ca -0.02 0.71 -0.11 0.00 1.01 0.00 0.00 57.45 59.04 3gr9 n PHE 269 Cb 0.07 -0.63 -0.05 0.00 -0.01 0.00 0.00 39.48 38.85 3gr9 n PHE 269 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3gr9 h ILE 270 N 0.00 0.00 -0.97 4.37 1.08 -1.22 -1.74 117.51 119.02 3gr9 h ILE 270 Ca 0.15 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.77 3gr9 h ILE 270 Cb 0.29 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.88 3gr9 h ILE 270 CO -0.55 0.00 -0.38 -1.20 -0.69 0.00 0.00 178.15 175.32 3gr9 n SER 271 N -4.03 -0.64 -0.30 1.72 7.64 0.08 -1.11 113.62 116.99 3gr9 n SER 271 Ca -0.08 1.70 -0.02 0.00 1.01 0.00 0.00 58.87 61.48 3gr9 n SER 271 Cb 0.27 -0.39 0.10 0.00 -1.01 0.00 0.00 64.21 63.19 3gr9 n SER 271 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3gr9 h VAL 272 N 0.00 1.13 -0.50 0.44 2.07 -1.13 0.73 116.25 118.98 3gr9 h VAL 272 Ca 0.34 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3gr9 h VAL 272 Cb 0.58 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3gr9 h VAL 272 CO -0.97 0.19 -0.04 0.03 0.02 0.00 0.00 177.57 176.80 3gr9 h ARG 273 N 1.01 0.87 -0.32 1.57 3.08 -0.17 0.39 114.38 120.83 3gr9 h ARG 273 Ca 0.32 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 3gr9 h ARG 273 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3gr9 h ARG 273 CO -0.11 0.90 -0.08 0.00 -1.07 0.00 0.00 179.97 179.60 3gr9 h ARG 274 N 0.80 0.61 -0.67 0.04 3.08 -0.43 0.00 114.38 117.82 3gr9 h ARG 274 Ca 0.14 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3gr9 h ARG 274 Cb 0.54 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 3gr9 h ARG 274 CO 0.03 0.80 0.43 0.87 -1.07 0.00 0.00 179.97 181.03 3gr9 h LYS 275 N 0.39 0.83 -0.30 0.04 1.57 -0.75 0.32 116.57 118.67 3gr9 h LYS 275 Ca 0.08 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3gr9 h LYS 275 Cb 0.58 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3gr9 h LYS 275 CO 0.03 0.55 0.19 -0.91 -0.57 0.00 0.00 179.45 178.74 3gr9 h ASN 276 N 0.85 0.32 -0.09 0.86 2.35 -0.75 -2.59 115.58 116.54 3gr9 h ASN 276 Ca 0.26 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.04 3gr9 h ASN 276 Cb -0.04 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.20 3gr9 h ASN 276 CO -0.08 0.23 -0.41 0.00 -1.65 0.00 0.00 177.43 175.52 3gr9 h ALA 277 N 1.12 -0.60 -0.33 -0.83 0.00 -0.10 0.51 119.26 119.03 3gr9 h ALA 277 Ca 0.11 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3gr9 h ALA 277 Cb -0.03 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 3gr9 h ALA 277 CO -0.04 -0.92 -0.28 1.49 0.00 0.00 0.00 179.25 179.50 3gr9 h GLU 278 N -0.51 -0.24 -0.14 0.00 4.81 -0.90 0.62 114.58 118.22 3gr9 h GLU 278 Ca 0.07 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3gr9 h GLU 278 Cb 0.63 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 3gr9 h GLU 278 CO -0.37 -0.16 -0.10 -0.92 -0.73 0.00 0.00 179.01 176.73 3gr9 h TYR 279 N -0.25 -0.25 -0.88 0.92 3.20 -1.03 0.33 116.97 119.02 3gr9 h TYR 279 Ca 0.16 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.14 3gr9 h TYR 279 Cb 0.50 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.84 3gr9 h TYR 279 CO -0.47 -0.16 0.57 0.35 -1.64 0.00 0.00 178.16 176.81 3gr9 h PHE 280 N -0.11 0.96 0.51 -3.82 3.57 0.38 -1.01 116.94 117.43 3gr9 h PHE 280 Ca 0.09 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3gr9 h PHE 280 Cb 0.24 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.67 3gr9 h PHE 280 CO -0.23 0.46 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.99 3gr9 h LEU 281 N 0.90 -0.58 -0.22 0.59 3.38 0.21 -1.62 115.31 117.97 3gr9 h LEU 281 Ca 0.40 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.41 3gr9 h LEU 281 Cb 0.36 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3gr9 h LEU 281 CO -0.16 -0.32 -0.13 -0.67 0.09 0.00 0.00 178.44 177.25 3gr9 n ASP 282 N -4.41 -0.24 -0.53 -0.43 2.03 -0.24 -0.13 116.55 112.60 3gr9 n ASP 282 Ca -0.09 1.03 0.44 0.00 0.52 0.00 0.00 54.79 56.70 3gr9 n ASP 282 Cb 0.27 -0.37 0.78 0.00 -0.72 0.00 0.00 41.12 41.08 3gr9 n ASP 282 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3gr9 h LYS 283 N 0.00 0.01 -0.01 -0.67 1.57 -1.17 -0.28 116.57 116.02 3gr9 h LYS 283 Ca 0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3gr9 h LYS 283 Cb 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3gr9 h LYS 283 CO -0.21 0.01 -0.12 1.19 -0.57 0.00 0.00 179.45 179.74 3gr9 n PHE 284 N -4.10 0.00 -0.24 -1.35 3.01 0.81 -4.75 117.46 110.83 3gr9 n PHE 284 Ca 0.36 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.81 3gr9 n PHE 284 Cb 1.64 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 41.14 3gr9 n PHE 284 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3gr9 n LYS 285 N 0.17 -0.15 -1.96 -1.08 4.81 0.20 -1.50 118.16 118.64 3gr9 n LYS 285 Ca 0.06 0.96 -0.32 0.00 -0.87 0.00 0.00 58.31 58.14 3gr9 n LYS 285 Cb 0.26 -1.43 0.03 0.00 0.02 0.00 0.00 35.03 33.91 3gr9 n LYS 285 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gr9 n ASP 286 N -4.92 6.23 -4.75 3.14 8.00 -1.26 -5.03 116.55 117.95 3gr9 n ASP 286 Ca 0.06 -3.78 -0.41 0.00 0.71 0.00 0.00 54.79 51.37 3gr9 n ASP 286 Cb 0.25 -0.72 -0.02 0.00 -0.02 0.00 0.00 41.12 40.60 3gr9 n ASP 286 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3gr9 s HIS 287 N -3.77 3.02 -0.86 1.24 2.46 -0.56 -4.87 115.29 111.95 3gr9 s HIS 287 Ca 0.54 1.15 0.19 0.00 0.47 0.00 0.00 55.06 57.41 3gr9 s HIS 287 Cb 0.44 -3.78 0.79 0.00 -0.13 0.00 0.00 32.58 29.90 3gr9 s HIS 287 CO -0.17 -2.42 1.60 -2.30 -2.47 0.00 0.00 174.74 168.98 3gr9 n PRO 288 N 1.85 0.06 0.00 2.88 -0.02 -1.26 -4.13 135.00 134.38 3gr9 n PRO 288 Ca 0.05 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3gr9 n PRO 288 Cb 0.41 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3gr9 n PRO 288 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3gr9 n TYR 289 N -1.73 0.00 -4.77 6.00 4.11 -1.26 -4.94 117.16 114.57 3gr9 n TYR 289 Ca 0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.61 3gr9 n TYR 289 Cb 0.22 0.08 -0.15 0.00 -0.00 0.00 0.00 39.34 39.49 3gr9 n TYR 289 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3gr9 s LEU 290 N 0.00 2.59 -0.11 -3.48 1.43 -1.26 -0.29 118.68 117.56 3gr9 s LEU 290 Ca 0.00 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 3gr9 s LEU 290 Cb 0.00 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3gr9 s LEU 290 CO 0.00 0.15 0.05 -1.81 0.23 0.00 0.00 176.35 174.96 3gr9 s ASP 291 N 0.46 5.61 0.06 2.29 1.01 0.13 -4.38 116.67 121.85 3gr9 s ASP 291 Ca -0.11 0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.38 3gr9 s ASP 291 Cb -0.16 -1.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 3gr9 s ASP 291 CO 0.05 0.36 0.21 -0.69 0.21 0.00 0.00 175.17 175.30 3gr9 s VAL 292 N -0.75 5.35 0.16 -1.27 1.01 -1.26 0.57 120.40 124.20 3gr9 s VAL 292 Ca 0.12 -0.41 -0.33 0.00 0.00 0.00 0.00 61.98 61.36 3gr9 s VAL 292 Cb -0.12 -3.61 -0.13 0.00 0.00 0.00 0.00 36.38 32.52 3gr9 s VAL 292 CO 0.03 0.14 1.65 1.67 0.00 0.00 0.00 175.10 178.58 3gr9 n GLN 293 N 0.29 2.38 -2.69 2.72 7.27 -1.26 -4.94 117.38 121.14 3gr9 n GLN 293 Ca -0.05 0.86 -0.43 0.00 0.07 0.00 0.00 57.00 57.45 3gr9 n GLN 293 Cb 0.51 -2.66 -0.02 0.00 2.41 0.00 0.00 30.24 30.48 3gr9 n GLN 293 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 3gr9 s GLN 294 N 1.25 4.35 0.27 3.69 0.74 0.55 -4.97 119.66 125.54 3gr9 s GLN 294 Ca 0.79 1.36 -0.30 0.00 0.05 0.00 0.00 55.36 57.26 3gr9 s GLN 294 Cb -0.62 -3.58 -0.09 0.00 1.10 0.00 0.00 33.01 29.82 3gr9 s GLN 294 CO 0.37 -0.44 1.09 -2.00 -0.55 0.00 0.00 175.29 173.75 3gr9 s GLU 295 N 2.50 4.66 -0.19 1.67 2.12 -1.26 -4.35 118.70 123.84 3gr9 s GLU 295 Ca 0.46 1.77 0.01 0.00 0.36 0.00 0.00 54.97 57.57 3gr9 s GLU 295 Cb -0.17 -3.20 0.03 0.00 0.26 0.00 0.00 34.13 31.05 3gr9 s GLU 295 CO 0.13 0.23 -0.17 0.99 -0.54 0.00 0.00 175.26 175.90 3gr9 s THR 296 N -1.08 1.97 0.00 -1.70 2.01 -1.26 -5.03 115.64 110.55 3gr9 s THR 296 Ca 0.45 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.43 3gr9 s THR 296 Cb -0.31 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.34 3gr9 s THR 296 CO 0.40 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 3gr9 n GLY 297 N 4.62 1.97 3.36 4.40 0.00 -1.26 -3.88 105.19 114.40 3gr9 n GLY 297 Ca -0.19 -0.50 -0.45 0.00 0.00 0.00 0.00 46.02 44.88 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 3.20 0.16 1.61 2.02 0.27 -5.01 118.70 120.95 3gr9 s GLU 298 Ca 0.00 -1.67 -0.31 0.00 0.02 0.00 0.00 54.97 53.02 3gr9 s GLU 298 Cb 0.00 -4.38 -0.08 0.00 0.10 0.00 0.00 34.13 29.77 3gr9 s GLU 298 CO 0.00 -1.48 1.36 0.45 0.02 0.00 0.00 175.26 175.61 3gr9 s SER 299 N 3.34 6.84 -0.04 -0.19 0.15 -1.26 -1.78 113.70 120.78 3gr9 s SER 299 Ca 0.13 2.37 0.07 0.00 0.70 0.00 0.00 55.95 59.23 3gr9 s SER 299 Cb -0.20 -2.60 0.27 0.00 -1.71 0.00 0.00 66.02 61.78 3gr9 s SER 299 CO 0.01 -0.60 1.11 -1.54 1.20 0.00 0.00 173.24 173.41 3gr9 n SER 300 N 3.33 2.00 -3.77 5.45 3.41 -1.00 -4.87 113.62 118.16 3gr9 n SER 300 Ca 0.09 -2.14 -0.29 0.00 -0.26 0.00 0.00 58.87 56.28 3gr9 n SER 300 Cb 0.42 -0.34 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.28 -1.43 -0.27 7.33 7.02 -1.25 -4.83 117.44 124.28 3gr9 n TRP 301 Ca 0.10 0.41 0.09 0.00 -1.02 0.00 0.00 57.50 57.07 3gr9 n TRP 301 Cb 0.38 -2.25 0.23 0.00 -2.42 0.00 0.00 31.31 27.25 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 -0.74 0.39 -1.78 -5.99 3.57 -1.21 -3.45 116.94 107.74 3gr9 h PHE 302 Ca -0.56 0.04 0.01 0.00 3.53 0.00 0.00 57.97 60.99 3gr9 h PHE 302 Cb 1.16 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 3gr9 h PHE 302 CO 0.24 -0.09 0.04 0.41 -2.23 0.00 0.00 178.31 176.68 3gr9 n GLY 303 N -1.35 1.44 3.23 2.40 0.00 -1.26 -3.86 105.19 105.79 3gr9 n GLY 303 Ca 0.17 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 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 -6.49 3.06 0.25 1.61 0.08 0.23 -4.88 117.98 111.84 3gr9 s PHE 304 Ca 0.02 -1.43 -0.08 0.00 0.12 0.00 0.00 56.93 55.56 3gr9 s PHE 304 Cb -0.00 -2.08 -0.07 0.00 -0.57 0.00 0.00 43.02 40.30 3gr9 s PHE 304 CO 0.01 -0.69 0.56 -1.54 -0.10 0.00 0.00 175.22 173.45 3gr9 s SER 305 N 1.36 6.57 -0.03 1.36 1.04 -1.26 -1.58 113.70 121.16 3gr9 s SER 305 Ca 0.01 0.87 0.01 0.00 0.48 0.00 0.00 55.95 57.32 3gr9 s SER 305 Cb -0.16 -2.21 0.02 0.00 0.10 0.00 0.00 66.02 63.77 3gr9 s SER 305 CO -0.04 -0.12 -0.04 -0.36 0.98 0.00 0.00 173.24 173.67 3gr9 s PHE 306 N -1.91 0.58 -0.17 5.02 0.08 -0.72 -4.22 117.98 116.65 3gr9 s PHE 306 Ca 0.46 -0.13 0.01 0.00 0.12 0.00 0.00 56.93 57.40 3gr9 s PHE 306 Cb -0.11 -0.51 0.02 0.00 -0.57 0.00 0.00 43.02 41.85 3gr9 s PHE 306 CO 0.24 -0.12 -0.19 0.42 -0.10 0.00 0.00 175.22 175.46 3gr9 s ILE 307 N 0.62 1.98 0.02 0.64 -1.09 0.19 -3.27 121.20 120.30 3gr9 s ILE 307 Ca -0.08 -0.90 -0.30 0.00 -2.23 0.00 0.00 60.65 57.15 3gr9 s ILE 307 Cb -0.11 -1.79 -0.08 0.00 -1.58 0.00 0.00 42.46 38.90 3gr9 s ILE 307 CO -0.00 0.53 1.76 -0.63 -1.23 0.00 0.00 174.94 175.37 3gr9 s ILE 308 N 1.26 3.20 0.55 2.92 1.01 -0.98 0.21 121.20 129.37 3gr9 s ILE 308 Ca 0.03 0.39 -0.21 0.00 0.00 0.00 0.00 60.65 60.86 3gr9 s ILE 308 Cb -0.13 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 3gr9 s ILE 308 CO -0.11 -0.02 1.35 -0.54 0.00 0.00 0.00 174.94 175.61 3gr9 s LYS 309 N 3.74 3.11 0.19 2.79 1.02 0.60 -4.92 119.74 126.26 3gr9 s LYS 309 Ca 0.79 2.21 -0.30 0.00 0.02 0.00 0.00 55.97 58.68 3gr9 s LYS 309 Cb -0.39 -2.23 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 3gr9 s LYS 309 CO 0.34 -1.21 1.38 0.21 -0.92 0.00 0.00 175.35 175.16 3gr9 s LYS 310 N -2.94 4.33 0.00 1.68 2.47 -1.26 -3.38 119.74 120.64 3gr9 s LYS 310 Ca 0.72 2.14 0.00 0.00 -1.56 0.00 0.00 55.97 57.28 3gr9 s LYS 310 Cb -0.40 -3.18 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 3gr9 s LYS 310 CO 0.47 -0.36 0.00 -0.25 0.16 0.00 0.00 175.35 175.37 3gr9 n ASP 311 N 2.94 -2.60 -1.23 1.43 9.92 -1.26 -4.93 116.55 120.82 3gr9 n ASP 311 Ca 0.08 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.45 3gr9 n ASP 311 Cb 0.42 -0.46 0.28 0.00 -0.64 0.00 0.00 41.12 40.72 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 1.82 3.72 -0.75 -2.24 3.41 -1.22 -4.97 113.62 113.39 3gr9 n SER 312 Ca 0.00 -1.99 -0.05 0.00 -0.26 0.00 0.00 58.87 56.57 3gr9 n SER 312 Cb 0.03 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.56 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 1.50 0.52 3.86 5.00 0.00 -1.26 -4.92 105.19 109.89 3gr9 n GLY 313 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.23 4.72 0.00 1.61 1.01 -1.26 -5.08 120.40 120.17 3gr9 s VAL 314 Ca 0.00 0.81 0.07 0.00 0.00 0.00 0.00 61.98 62.87 3gr9 s VAL 314 Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3gr9 s VAL 314 CO 0.00 -0.39 -0.23 0.27 0.00 0.00 0.00 175.10 174.75 3gr9 s ILE 315 N -2.22 1.83 0.05 2.22 -0.00 -1.26 -5.06 121.20 116.75 3gr9 s ILE 315 Ca 0.53 -1.07 -0.14 0.00 -0.00 0.00 0.00 60.65 59.97 3gr9 s ILE 315 Cb -0.10 -1.53 -0.06 0.00 -0.00 0.00 0.00 42.46 40.77 3gr9 s ILE 315 CO 0.25 0.44 1.23 -0.09 -0.00 0.00 0.00 174.94 176.77 3gr9 h ARG 316 N 5.36 -0.26 -0.90 0.37 2.43 -1.94 -3.08 114.38 116.35 3gr9 h ARG 316 Ca -0.42 0.02 0.24 0.00 -0.81 0.00 0.00 59.98 59.01 3gr9 h ARG 316 Cb 1.14 0.06 -0.17 0.00 -0.42 0.00 0.00 29.97 30.58 3gr9 h ARG 316 CO 0.46 -0.18 -0.01 1.63 -1.51 0.00 0.00 179.97 180.37 3gr9 n LYS 317 N -3.73 -0.07 0.12 0.20 5.02 -1.26 0.62 118.16 119.06 3gr9 n LYS 317 Ca -0.03 1.35 0.05 0.00 -2.02 0.00 0.00 58.31 57.66 3gr9 n LYS 317 Cb 0.16 -2.13 0.49 0.00 -0.02 0.00 0.00 35.03 33.53 3gr9 n LYS 317 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3gr9 h GLN 318 N 0.00 0.28 0.08 1.97 4.15 -1.97 0.63 115.11 120.25 3gr9 h GLN 318 Ca 0.53 -0.03 -0.27 0.00 0.77 0.00 0.00 58.65 59.65 3gr9 h GLN 318 Cb 1.07 -0.06 0.02 0.00 0.21 0.00 0.00 27.48 28.72 3gr9 h GLN 318 CO -0.85 0.24 -1.14 -0.07 -1.93 0.00 0.00 178.83 175.08 3gr9 h LEU 319 N 0.28 0.72 -0.42 -2.39 3.38 0.15 -1.04 115.31 115.99 3gr9 h LEU 319 Ca 0.07 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 57.42 3gr9 h LEU 319 Cb 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3gr9 h LEU 319 CO -0.01 1.46 0.25 0.58 0.09 0.00 0.00 178.44 180.81 3gr9 h VAL 320 N 0.25 1.05 0.15 1.22 2.07 -0.17 -1.88 116.25 118.94 3gr9 h VAL 320 Ca -0.14 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3gr9 h VAL 320 Cb 1.81 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3gr9 h VAL 320 CO 0.21 0.09 -0.20 -0.08 0.02 0.00 0.00 177.57 177.61 3gr9 h GLU 321 N 0.50 -0.35 -0.96 1.57 4.81 0.38 -2.76 114.58 117.76 3gr9 h GLU 321 Ca 0.17 0.02 0.31 0.00 -0.13 0.00 0.00 59.36 59.73 3gr9 h GLU 321 Cb 0.00 0.08 -0.17 0.00 0.63 0.00 0.00 28.75 29.30 3gr9 h GLU 321 CO -0.07 -0.23 0.29 -0.91 -0.73 0.00 0.00 179.01 177.35 3gr9 h ASN 322 N -0.36 -0.01 -0.43 1.04 -0.26 -0.91 -2.33 115.58 112.32 3gr9 h ASN 322 Ca -0.02 0.24 -0.09 0.00 -0.56 0.00 0.00 56.30 55.87 3gr9 h ASN 322 Cb 0.33 0.33 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 3gr9 h ASN 322 CO -0.05 -0.30 -0.09 -0.07 -1.06 0.00 0.00 177.43 175.85 3gr9 h LEU 323 N 0.10 0.82 0.14 1.61 3.38 -1.09 -3.00 115.31 117.26 3gr9 h LEU 323 Ca 0.67 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3gr9 h LEU 323 Cb 1.54 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3gr9 h LEU 323 CO -0.77 0.99 -0.07 0.78 0.09 0.00 0.00 178.44 179.46 3gr9 h ASN 324 N 0.64 -0.16 0.00 -0.43 -0.26 -1.18 0.22 115.58 114.41 3gr9 h ASN 324 Ca 0.11 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 3gr9 h ASN 324 Cb 0.62 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 3gr9 h ASN 324 CO 0.04 0.08 0.00 -1.20 -1.06 0.00 0.00 177.43 175.29 3gr9 n SER 325 N -5.08 0.00 0.00 5.81 7.64 -0.92 -0.41 113.62 120.66 3gr9 n SER 325 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 3gr9 n SER 325 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 3gr9 n SER 325 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gr9 n ALA 326 N -0.52 0.69 -0.10 -0.43 0.00 -0.63 -5.00 120.51 114.53 3gr9 n ALA 326 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3gr9 n ALA 326 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.13 0.94 3.28 0.00 0.00 0.45 -5.06 105.19 104.92 3gr9 n GLY 327 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 4.04 -0.15 -0.61 1.01 0.66 -4.42 121.20 119.72 3gr9 s ILE 328 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.13 3gr9 s ILE 328 Cb 0.00 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 3gr9 s ILE 328 CO 0.00 -0.33 1.37 -0.70 0.00 0.00 0.00 174.94 175.28 3gr9 s GLU 329 N 1.42 4.18 0.14 2.79 2.12 -1.26 -3.44 118.70 124.64 3gr9 s GLU 329 Ca 0.01 1.74 0.08 0.00 0.36 0.00 0.00 54.97 57.16 3gr9 s GLU 329 Cb -0.21 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.31 3gr9 s GLU 329 CO 0.03 -0.79 -0.18 0.00 -0.54 0.00 0.00 175.26 173.77 3gr9 s ARG 331 N -2.48 1.32 1.05 0.00 1.70 0.66 -4.93 118.95 116.27 3gr9 s ARG 331 Ca 0.11 -1.58 -0.18 0.00 -0.47 0.00 0.00 55.73 53.61 3gr9 s ARG 331 Cb -0.07 0.32 0.27 0.00 -0.57 0.00 0.00 34.95 34.90 3gr9 s ARG 331 CO 0.05 -0.46 0.73 -2.30 -1.08 0.00 0.00 175.30 172.23 3gr9 n PRO 332 N -0.32 -3.60 -3.02 3.89 -0.02 -1.26 0.28 135.00 130.94 3gr9 n PRO 332 Ca 0.02 -1.19 -0.43 0.00 -2.02 0.00 0.00 63.50 59.87 3gr9 n PRO 332 Cb 0.65 -1.36 -0.06 0.00 -0.02 0.00 0.00 33.50 32.71 3gr9 n PRO 332 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gr9 s ILE 333 N -2.10 4.74 0.00 4.25 1.01 -1.25 -3.65 121.20 124.20 3gr9 s ILE 333 Ca 0.52 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.59 3gr9 s ILE 333 Cb -0.08 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.15 3gr9 s ILE 333 CO 0.42 -0.60 0.00 0.52 0.00 0.00 0.00 174.94 175.28 3gr9 n VAL 334 N 5.95 0.00 -1.62 2.92 0.31 -1.26 0.63 118.33 125.27 3gr9 n VAL 334 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.37 3gr9 n VAL 334 Cb 0.48 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.45 3gr9 n VAL 334 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3gr9 n THR 335 N 0.00 0.55 -0.39 2.52 -2.24 -1.26 -5.05 114.28 108.41 3gr9 n THR 335 Ca 0.00 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3gr9 n THR 335 Cb 0.00 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.41 3.52 3.60 3.38 0.00 0.21 -4.61 105.19 110.88 3gr9 n GLY 336 Ca 0.04 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 6.52 0.33 1.61 2.47 -1.26 -4.55 114.94 116.05 3gr9 s ASN 337 Ca 0.00 0.47 0.26 0.00 0.42 0.00 0.00 52.86 54.01 3gr9 s ASN 337 Cb 0.00 -2.55 1.06 0.00 -1.45 0.00 0.00 41.25 38.31 3gr9 s ASN 337 CO 0.00 -1.35 1.78 0.15 -3.72 0.00 0.00 177.10 173.96 3gr9 h PHE 338 N 9.66 0.00 0.00 0.43 3.57 -1.70 -2.41 116.94 126.49 3gr9 h PHE 338 Ca -0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3gr9 h PHE 338 Cb 1.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.81 3gr9 h PHE 338 CO 0.99 0.00 0.00 -0.07 -2.23 0.00 0.00 178.31 177.00 3gr9 h LEU 339 N 0.00 0.00 -0.03 0.59 -0.00 -1.90 -2.38 115.31 111.58 3gr9 h LEU 339 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3gr9 h LEU 339 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 3gr9 h LEU 339 CO 0.00 0.00 -0.06 2.29 -0.00 0.00 0.00 178.44 180.67 3gr9 n LYS 340 N -2.48 0.23 -1.82 1.13 2.85 -0.91 -4.09 118.16 113.07 3gr9 n LYS 340 Ca 0.03 -0.03 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 3gr9 n LYS 340 Cb 0.31 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.18 3gr9 n LYS 340 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gr9 n ASN 341 N -1.36 8.16 -0.28 -5.58 3.02 -0.90 -4.78 115.26 113.54 3gr9 n ASN 341 Ca 0.10 -3.00 0.02 0.00 -0.03 0.00 0.00 54.58 51.68 3gr9 n ASN 341 Cb 0.30 -1.42 0.10 0.00 -0.61 0.00 0.00 39.78 38.15 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 2.73 0.19 -0.91 3.41 2.02 -1.84 -2.31 112.91 116.20 3gr9 h THR 342 Ca 0.74 0.00 0.26 0.00 0.77 0.00 0.00 66.41 68.18 3gr9 h THR 342 Cb 0.30 0.19 -0.15 0.00 -1.74 0.00 0.00 68.15 66.76 3gr9 h THR 342 CO 1.56 0.00 0.25 0.44 0.37 0.00 0.00 175.52 178.14 3gr9 h ASP 343 N -0.00 -0.01 0.82 4.18 3.32 -1.96 0.12 116.42 122.87 3gr9 h ASP 343 Ca 0.39 0.21 -0.24 0.00 0.02 0.00 0.00 57.03 57.41 3gr9 h ASP 343 Cb 0.59 0.29 -0.04 0.00 0.22 0.00 0.00 39.33 40.39 3gr9 h ASP 343 CO -0.83 -0.20 -1.26 1.62 -1.72 0.00 0.00 179.24 176.85 3gr9 h VAL 344 N 0.17 1.36 0.00 -1.35 3.04 -1.84 -3.21 116.25 114.42 3gr9 h VAL 344 Ca 0.59 -3.12 -0.00 0.00 -1.01 0.00 0.00 66.70 63.16 3gr9 h VAL 344 Cb 1.24 2.67 -0.00 0.00 -2.01 0.00 0.00 31.29 33.19 3gr9 h VAL 344 CO -0.70 0.78 -0.00 -0.07 -1.01 0.00 0.00 177.57 176.56 3gr9 h LEU 345 N 0.00 0.00 -1.91 3.16 4.07 -0.39 0.36 115.31 120.59 3gr9 h LEU 345 Ca -0.11 0.00 0.47 0.00 0.08 0.00 0.00 57.88 58.32 3gr9 h LEU 345 Cb 1.85 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 43.52 3gr9 h LEU 345 CO 0.11 0.00 1.14 0.50 -1.08 0.00 0.00 178.44 179.11 3gr9 h LYS 346 N 0.00 0.02 0.00 1.13 1.63 -1.06 -1.98 116.57 116.31 3gr9 h LYS 346 Ca -0.00 -0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 3gr9 h LYS 346 Cb 0.01 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3gr9 h LYS 346 CO 0.00 0.01 -1.35 1.88 -3.45 0.00 0.00 179.45 176.55 3gr9 h TYR 347 N 0.02 0.00 -2.13 1.91 -1.99 -1.15 -3.48 116.97 110.16 3gr9 h TYR 347 Ca 0.79 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.45 3gr9 h TYR 347 Cb 3.05 0.00 0.03 0.00 2.00 0.00 0.00 36.73 41.81 3gr9 h TYR 347 CO -0.00 0.52 0.05 1.19 -0.00 0.00 0.00 178.16 179.92 3gr9 n PHE 348 N -2.88 -3.74 -3.58 4.88 3.01 -0.75 -5.02 117.46 109.39 3gr9 n PHE 348 Ca -0.08 -0.17 -0.28 0.00 1.01 0.00 0.00 57.45 57.93 3gr9 n PHE 348 Cb 0.81 -0.16 -0.11 0.00 -0.01 0.00 0.00 39.48 40.01 3gr9 n PHE 348 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3gr9 s ASP 349 N -1.80 2.81 0.44 4.37 2.15 -1.26 -5.09 116.67 118.30 3gr9 s ASP 349 Ca 0.11 -3.10 0.07 0.00 0.43 0.00 0.00 52.55 50.06 3gr9 s ASP 349 Cb -0.01 -0.83 -0.02 0.00 -0.30 0.00 0.00 42.92 41.76 3gr9 s ASP 349 CO 0.08 -0.18 0.30 -0.72 -0.17 0.00 0.00 175.17 174.48 3gr9 s TYR 350 N -0.16 2.42 0.06 -5.34 1.13 -1.26 -1.48 117.35 112.72 3gr9 s TYR 350 Ca 0.27 -0.61 -0.17 0.00 -1.41 0.00 0.00 57.07 55.14 3gr9 s TYR 350 Cb -0.06 -2.02 0.03 0.00 -1.10 0.00 0.00 41.96 38.81 3gr9 s TYR 350 CO -0.13 -0.07 0.40 -0.08 -2.51 0.00 0.00 175.55 173.16 3gr9 s THR 351 N -2.60 0.06 -0.08 -3.49 -1.32 -0.10 -4.94 115.64 103.17 3gr9 s THR 351 Ca 0.41 -0.49 0.04 0.00 -1.21 0.00 0.00 61.69 60.44 3gr9 s THR 351 Cb -0.00 -0.99 -0.00 0.00 -1.51 0.00 0.00 72.50 70.00 3gr9 s THR 351 CO 0.24 -0.27 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.47 3gr9 s VAL 352 N -2.72 1.88 -0.28 5.08 1.01 -1.26 -1.12 120.40 123.00 3gr9 s VAL 352 Ca -0.04 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 3gr9 s VAL 352 Cb -0.00 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.76 3gr9 s VAL 352 CO -0.04 0.52 0.98 -2.28 0.00 0.00 0.00 175.10 174.28 3gr9 s HIS 353 N 0.28 3.24 0.00 5.22 2.46 -0.61 -4.82 115.29 121.06 3gr9 s HIS 353 Ca -0.15 1.20 0.00 0.00 0.47 0.00 0.00 55.06 56.58 3gr9 s HIS 353 Cb -0.17 -3.38 0.00 0.00 -0.13 0.00 0.00 32.58 28.90 3gr9 s HIS 353 CO 0.07 -0.59 0.00 -1.71 -2.47 0.00 0.00 174.74 170.04 3gr9 n ASN 354 N 6.45 0.00 -3.97 9.88 2.85 -1.26 -4.70 115.26 124.51 3gr9 n ASN 354 Ca 0.10 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.39 3gr9 n ASN 354 Cb 0.47 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.40 3gr9 n ASN 354 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3gr9 s ASN 355 N -4.00 1.23 -0.44 1.20 2.20 -1.26 -5.08 114.94 108.79 3gr9 s ASN 355 Ca 0.00 -1.54 0.10 0.00 -0.94 0.00 0.00 52.86 50.48 3gr9 s ASN 355 Cb 0.00 0.39 0.38 0.00 -2.00 0.00 0.00 41.25 40.02 3gr9 s ASN 355 CO 0.00 -0.89 0.91 1.33 -2.94 0.00 0.00 177.10 175.51 3gr9 n VAL 356 N -0.51 1.52 -0.05 3.54 0.24 -1.26 -4.31 118.33 117.50 3gr9 n VAL 356 Ca 0.02 -4.67 -0.10 0.00 -2.04 0.00 0.00 64.34 57.55 3gr9 n VAL 356 Cb 0.65 -0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 32.36 3gr9 n VAL 356 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3gr9 h ASP 357 N 2.92 0.25 0.06 -1.34 5.19 -1.98 -2.47 116.42 119.05 3gr9 h ASP 357 Ca 0.11 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3gr9 h ASP 357 Cb 0.86 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 3gr9 h ASP 357 CO 0.66 0.25 -0.06 0.78 -3.12 0.00 0.00 179.24 177.75 3gr9 h ASN 358 N 0.23 -0.16 -0.43 6.45 4.21 -1.90 0.20 115.58 124.18 3gr9 h ASN 358 Ca 0.07 0.02 0.04 0.00 1.21 0.00 0.00 56.30 57.64 3gr9 h ASN 358 Cb 0.05 0.06 -0.06 0.00 -1.12 0.00 0.00 38.32 37.25 3gr9 h ASN 358 CO -0.01 -0.09 -0.33 0.00 -1.29 0.00 0.00 177.43 175.71 3gr9 h ALA 359 N 0.80 -0.42 -1.01 -0.83 0.00 -1.78 -0.17 119.26 115.85 3gr9 h ALA 359 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3gr9 h ALA 359 Cb 0.13 1.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3gr9 h ALA 359 CO -0.02 -0.62 0.66 0.93 0.00 0.00 0.00 179.25 180.20 3gr9 h GLU 360 N -0.10 1.23 0.21 0.00 5.08 -1.21 0.24 114.58 120.03 3gr9 h GLU 360 Ca 0.07 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3gr9 h GLU 360 Cb 0.28 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3gr9 h GLU 360 CO -0.45 0.81 -0.53 -0.92 -1.00 0.00 0.00 179.01 176.92 3gr9 h TYR 361 N 1.26 -1.52 -1.16 4.33 3.20 0.80 0.75 116.97 124.63 3gr9 h TYR 361 Ca 0.40 0.03 0.33 0.00 3.14 0.00 0.00 58.73 62.64 3gr9 h TYR 361 Cb 0.02 0.64 -0.07 0.00 1.54 0.00 0.00 36.73 38.86 3gr9 h TYR 361 CO -0.00 -0.62 0.81 1.25 -1.64 0.00 0.00 178.16 177.96 3gr9 h LEU 362 N -0.82 0.14 -2.11 2.82 6.46 -0.79 0.18 115.31 121.20 3gr9 h LEU 362 Ca -0.02 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.82 3gr9 h LEU 362 Cb 0.79 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 3gr9 h LEU 362 CO -0.24 0.01 0.14 -0.78 -0.62 0.00 0.00 178.44 176.95 3gr9 h ASP 363 N 0.12 0.00 0.00 1.25 3.58 0.26 -1.26 116.42 120.37 3gr9 h ASP 363 Ca 0.59 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.04 3gr9 h ASP 363 Cb 2.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.14 3gr9 h ASP 363 CO -0.11 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.54 3gr9 n LYS 364 N -4.26 5.34 0.00 0.28 4.76 0.52 -4.72 118.16 120.09 3gr9 n LYS 364 Ca 0.01 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 3gr9 n LYS 364 Cb 0.27 -0.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.94 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 -0.78 1.64 -4.31 4.39 3.02 -0.52 -4.52 115.26 114.18 3gr9 n ASN 365 Ca 0.00 -1.80 -0.27 0.00 -0.03 0.00 0.00 54.58 52.48 3gr9 n ASN 365 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.04 3gr9 n ASN 365 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gr9 s GLY 366 N -0.80 1.31 0.19 7.41 0.00 -0.49 -2.31 107.32 112.63 3gr9 s GLY 366 Ca 0.00 -1.23 -0.14 0.00 0.00 0.00 0.00 44.72 43.35 3gr9 s GLY 366 CO 0.00 -1.18 0.43 0.48 0.00 0.00 0.00 173.10 172.84 3gr9 s LEU 367 N -1.53 0.42 0.01 0.66 2.34 -1.20 -3.92 118.68 115.46 3gr9 s LEU 367 Ca 0.10 -0.68 0.00 0.00 0.06 0.00 0.00 54.13 53.61 3gr9 s LEU 367 Cb -0.10 1.76 -0.01 0.00 -0.56 0.00 0.00 46.19 47.29 3gr9 s LEU 367 CO 0.03 -1.01 -0.03 0.12 -1.06 0.00 0.00 176.35 174.41 3gr9 s PHE 368 N -3.93 0.22 0.14 3.48 5.36 0.79 -1.75 117.98 122.29 3gr9 s PHE 368 Ca 0.14 -0.32 0.08 0.00 -0.96 0.00 0.00 56.93 55.86 3gr9 s PHE 368 Cb 0.01 -0.15 -0.04 0.00 -0.34 0.00 0.00 43.02 42.50 3gr9 s PHE 368 CO -0.00 -0.10 -0.17 0.14 -1.46 0.00 0.00 175.22 173.62 3gr9 s VAL 369 N -0.87 1.65 0.92 3.12 -7.23 -0.61 -0.25 120.40 117.13 3gr9 s VAL 369 Ca -0.09 -1.79 -0.12 0.00 -1.81 0.00 0.00 61.98 58.17 3gr9 s VAL 369 Cb -0.06 -1.70 0.14 0.00 0.56 0.00 0.00 36.38 35.32 3gr9 s VAL 369 CO -0.00 -0.31 1.10 -0.83 -0.31 0.00 0.00 175.10 174.75 3gr9 s GLY 370 N -2.48 1.59 -0.01 2.32 0.00 -1.26 0.77 107.32 108.26 3gr9 s GLY 370 Ca 0.12 -0.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.50 3gr9 s GLY 370 CO 0.05 0.29 0.20 0.21 0.00 0.00 0.00 173.10 173.85 3gr9 s ASN 371 N -3.58 -0.07 0.00 1.64 2.47 -1.25 -4.43 114.94 109.72 3gr9 s ASN 371 Ca 0.64 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.87 3gr9 s ASN 371 Cb -0.17 0.27 0.00 0.00 -1.45 0.00 0.00 41.25 39.89 3gr9 s ASN 371 CO 0.56 -0.36 0.00 1.41 -3.72 0.00 0.00 177.10 174.99 3gr9 n HIS 372 N 1.55 -0.04 -0.06 0.43 8.25 -1.26 -4.79 115.22 119.30 3gr9 n HIS 372 Ca -0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.15 3gr9 n HIS 372 Cb 0.56 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.77 3gr9 n HIS 372 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gr9 n GLN 373 N 0.00 1.76 -3.83 -0.41 0.00 -1.26 -3.96 117.38 109.67 3gr9 n GLN 373 Ca 0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 57.00 55.41 3gr9 n GLN 373 Cb 0.00 -1.61 -0.12 0.00 0.00 0.00 0.00 30.24 28.52 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 -1.63 0.03 0.30 -0.39 -4.36 -1.26 -4.84 121.20 109.04 3gr9 s ILE 374 Ca 0.28 -0.21 -0.30 0.00 -0.26 0.00 0.00 60.65 60.16 3gr9 s ILE 374 Cb 0.23 -0.29 -0.12 0.00 1.25 0.00 0.00 42.46 43.53 3gr9 s ILE 374 CO 0.06 -0.12 1.57 -1.84 0.24 0.00 0.00 174.94 174.85 3gr9 n GLU 375 N 2.53 2.65 -0.40 0.37 0.00 -1.26 -4.92 120.64 119.61 3gr9 n GLU 375 Ca -0.16 0.94 0.07 0.00 0.00 0.00 0.00 57.16 58.02 3gr9 n GLU 375 Cb 0.58 -2.70 0.17 0.00 0.00 0.00 0.00 31.44 29.48 3gr9 n GLU 375 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3gr9 n LEU 376 N 1.93 2.45 -0.36 -1.84 4.77 -1.26 -4.77 117.00 117.92 3gr9 n LEU 376 Ca 0.08 -3.44 0.09 0.00 -0.03 0.00 0.00 56.01 52.71 3gr9 n LEU 376 Cb 0.37 -0.46 0.27 0.00 -2.33 0.00 0.00 43.42 41.27 3gr9 n LEU 376 CO 0.64 1.06 1.21 -0.26 -1.33 0.00 0.00 177.39 178.71 3gr9 h PHE 377 N 0.56 1.11 0.25 -1.77 0.04 -1.93 1.94 116.94 117.12 3gr9 h PHE 377 Ca -0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3gr9 h PHE 377 Cb 1.04 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.84 3gr9 h PHE 377 CO 0.41 0.36 -0.12 -0.44 -0.60 0.00 0.00 178.31 177.92 3gr9 h ASP 378 N 0.89 -0.28 -0.72 2.17 3.32 -1.99 0.63 116.42 120.44 3gr9 h ASP 378 Ca 0.53 -0.24 0.08 0.00 0.02 0.00 0.00 57.03 57.41 3gr9 h ASP 378 Cb 0.66 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 3gr9 h ASP 378 CO -0.32 0.15 0.47 -0.08 -1.72 0.00 0.00 179.24 177.75 3gr9 h GLU 379 N -0.79 0.68 0.24 3.56 4.81 -1.53 0.11 114.58 121.66 3gr9 h GLU 379 Ca -0.03 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3gr9 h GLU 379 Cb 0.51 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3gr9 h GLU 379 CO 0.06 0.45 -0.12 0.82 -0.73 0.00 0.00 179.01 179.49 3gr9 h ILE 380 N 0.70 0.79 -0.81 2.32 2.04 0.33 0.36 117.51 123.23 3gr9 h ILE 380 Ca 0.32 -0.76 0.14 0.00 1.00 0.00 0.00 64.86 65.56 3gr9 h ILE 380 Cb 0.34 1.19 -0.15 0.00 -0.74 0.00 0.00 36.82 37.47 3gr9 h ILE 380 CO -0.11 0.15 -0.32 0.44 0.00 0.00 0.00 178.15 178.32 3gr9 h ASP 381 N -0.74 -1.14 -0.50 1.72 3.32 0.11 0.60 116.42 119.78 3gr9 h ASP 381 Ca -0.03 0.27 0.08 0.00 0.02 0.00 0.00 57.03 57.36 3gr9 h ASP 381 Cb 0.50 0.62 -0.07 0.00 0.22 0.00 0.00 39.33 40.60 3gr9 h ASP 381 CO 0.05 -0.29 0.12 0.22 -1.72 0.00 0.00 179.24 177.62 3gr9 h TYR 382 N -0.06 0.20 -0.90 4.55 3.20 -0.86 -2.51 116.97 120.59 3gr9 h TYR 382 Ca 0.33 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.37 3gr9 h TYR 382 Cb 0.59 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.77 3gr9 h TYR 382 CO -0.73 0.02 0.58 1.25 -1.64 0.00 0.00 178.16 177.64 3gr9 h LEU 383 N 0.26 0.69 -0.39 2.82 5.85 0.24 -0.89 115.31 123.89 3gr9 h LEU 383 Ca 0.25 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.84 3gr9 h LEU 383 Cb 0.32 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3gr9 h LEU 383 CO -0.31 0.35 -0.44 -0.09 -0.34 0.00 0.00 178.44 177.61 3gr9 h ARG 384 N 0.73 0.88 -0.59 1.25 9.65 -0.99 0.42 114.38 125.73 3gr9 h ARG 384 Ca 0.45 -0.50 0.06 0.00 -1.10 0.00 0.00 59.98 58.89 3gr9 h ARG 384 Cb 0.69 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.25 3gr9 h ARG 384 CO -0.21 1.14 0.31 0.93 2.80 0.00 0.00 179.97 184.93 3gr9 h GLU 385 N 0.70 0.56 0.38 0.20 4.39 -0.88 -2.74 114.58 117.20 3gr9 h GLU 385 Ca 0.04 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 3gr9 h GLU 385 Cb 1.04 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3gr9 h GLU 385 CO 0.10 0.37 -0.18 0.28 -1.16 0.00 0.00 179.01 178.42 3gr9 h VAL 386 N 0.58 0.42 0.00 3.13 2.07 -1.18 -3.52 116.25 117.75 3gr9 h VAL 386 Ca 0.27 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3gr9 h VAL 386 Cb 0.18 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3gr9 h VAL 386 CO -0.18 0.09 0.00 0.18 0.02 0.00 0.00 177.57 177.67