#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gr9 n LEU 6 N 0.00 2.08 -4.95 2.45 4.77 -1.26 -4.79 117.00 115.29 3gr9 n LEU 6 Ca 0.00 0.19 -0.23 0.00 -0.03 0.00 0.00 56.01 55.94 3gr9 n LEU 6 Cb 0.00 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.32 3gr9 n LEU 6 CO 0.00 0.62 0.08 0.00 -1.33 0.00 0.00 177.39 176.76 3gr9 s ALA 7 N -2.46 3.81 -0.02 -1.18 0.00 -1.26 -4.67 121.76 115.99 3gr9 s ALA 7 Ca -0.34 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 50.41 3gr9 s ALA 7 Cb 0.12 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.32 3gr9 s ALA 7 CO 0.46 0.08 0.32 0.45 0.00 0.00 0.00 175.76 177.07 3gr9 s SER 8 N -4.02 -0.20 -0.45 0.00 0.15 -1.26 -5.13 113.70 102.79 3gr9 s SER 8 Ca 0.38 0.11 -0.28 0.00 0.70 0.00 0.00 55.95 56.85 3gr9 s SER 8 Cb -0.09 0.32 -0.00 0.00 -1.71 0.00 0.00 66.02 64.54 3gr9 s SER 8 CO 0.33 -0.44 1.59 -0.55 1.20 0.00 0.00 173.24 175.37 3gr9 s SER 9 N -1.30 6.01 -0.00 5.45 0.15 -1.26 -4.90 113.70 117.85 3gr9 s SER 9 Ca -0.13 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.29 3gr9 s SER 9 Cb -0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3gr9 s SER 9 CO 0.04 -1.71 0.57 0.35 1.20 0.00 0.00 173.24 173.69 3gr9 n THR 10 N 7.15 0.01 -4.37 6.45 -2.24 -1.26 -4.87 114.28 115.16 3gr9 n THR 10 Ca 0.18 -0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.60 3gr9 n THR 10 Cb 0.48 -0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 3gr9 n THR 10 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3gr9 s TRP 11 N -1.14 3.15 0.04 4.78 0.52 -1.26 -5.00 118.94 120.03 3gr9 s TRP 11 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 56.10 56.28 3gr9 s TRP 11 Cb 0.00 -1.81 -0.00 0.00 -1.15 0.00 0.00 33.47 30.51 3gr9 s TRP 11 CO 0.00 0.42 0.00 -0.40 0.02 0.00 0.00 176.95 176.99 3gr9 n ASP 12 N 2.29 1.97 0.30 2.95 5.75 -1.26 -5.03 116.55 123.51 3gr9 n ASP 12 Ca -0.18 -1.17 0.18 0.00 -0.01 0.00 0.00 54.79 53.61 3gr9 n ASP 12 Cb 0.53 0.03 0.89 0.00 -1.03 0.00 0.00 41.12 41.54 3gr9 n ASP 12 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3gr9 h ASP 13 N 0.10 0.00 -0.52 -1.12 3.32 -2.01 -3.16 116.42 113.02 3gr9 h ASP 13 Ca -0.03 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 3gr9 h ASP 13 Cb 0.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3gr9 h ASP 13 CO 0.05 0.03 0.07 -0.07 -1.72 0.00 0.00 179.24 177.60 3gr9 h LEU 14 N 0.00 0.85 -0.52 1.55 3.38 -1.99 -1.22 115.31 117.36 3gr9 h LEU 14 Ca -0.00 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3gr9 h LEU 14 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3gr9 h LEU 14 CO 0.00 0.90 0.08 -0.33 0.09 0.00 0.00 178.44 179.19 3gr9 h GLU 15 N 0.76 0.86 -0.68 1.13 3.07 -1.93 0.27 114.58 118.05 3gr9 h GLU 15 Ca 0.16 -0.23 0.09 0.00 -0.50 0.00 0.00 59.36 58.88 3gr9 h GLU 15 Cb 0.43 -0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 28.17 3gr9 h GLU 15 CO 0.01 0.85 0.32 1.88 -1.40 0.00 0.00 179.01 180.67 3gr9 h TYR 16 N 0.74 0.58 -0.34 4.33 0.05 -1.61 -0.74 116.97 119.98 3gr9 h TYR 16 Ca 0.16 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.97 3gr9 h TYR 16 Cb 0.40 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 3gr9 h TYR 16 CO 0.03 0.20 0.21 0.87 -1.05 0.00 0.00 178.16 178.42 3gr9 h LYS 17 N 0.56 0.46 -0.83 4.88 1.57 0.09 -1.71 116.57 121.59 3gr9 h LYS 17 Ca 0.34 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.21 3gr9 h LYS 17 Cb 0.37 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.49 3gr9 h LYS 17 CO -0.27 0.33 0.43 0.00 -0.57 0.00 0.00 179.45 179.37 3gr9 h ALA 18 N 1.10 1.23 -0.72 3.86 0.00 0.61 0.42 119.26 125.75 3gr9 h ALA 18 Ca 0.12 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3gr9 h ALA 18 Cb -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3gr9 h ALA 18 CO -0.02 -0.06 0.46 0.82 0.00 0.00 0.00 179.25 180.45 3gr9 h ILE 19 N 0.64 1.14 -0.17 0.00 2.04 -0.27 -1.88 117.51 119.02 3gr9 h ILE 19 Ca 0.44 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 66.01 3gr9 h ILE 19 Cb 0.59 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3gr9 h ILE 19 CO -0.34 0.17 -0.03 -0.61 0.00 0.00 0.00 178.15 177.34 3gr9 h GLN 20 N 0.93 0.02 -0.99 2.37 5.75 -0.54 -1.07 115.11 121.58 3gr9 h GLN 20 Ca 0.28 -0.00 0.32 0.00 -0.15 0.00 0.00 58.65 59.09 3gr9 h GLN 20 Cb -0.05 -0.00 -0.15 0.00 1.07 0.00 0.00 27.48 28.35 3gr9 h GLN 20 CO -0.08 0.01 0.52 0.77 -2.65 0.00 0.00 178.83 177.40 3gr9 h SER 21 N 0.02 0.43 0.11 -0.69 0.02 -0.45 0.98 113.55 113.97 3gr9 h SER 21 Ca 0.08 0.20 -0.21 0.00 -0.84 0.00 0.00 61.79 61.02 3gr9 h SER 21 Cb 0.11 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3gr9 h SER 21 CO -0.16 -0.16 -0.81 0.58 -1.14 0.00 0.00 176.83 175.14 3gr9 h VAL 22 N 0.29 1.34 0.07 2.27 2.07 -0.99 -0.08 116.25 121.22 3gr9 h VAL 22 Ca 0.72 -2.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 3gr9 h VAL 22 Cb 1.64 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 3gr9 h VAL 22 CO -0.63 0.66 -0.04 -0.07 0.02 0.00 0.00 177.57 177.51 3gr9 h LEU 23 N 0.37 -0.08 -0.40 2.57 3.38 0.18 -1.27 115.31 120.06 3gr9 h LEU 23 Ca -0.05 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3gr9 h LEU 23 Cb 1.41 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.12 3gr9 h LEU 23 CO 0.15 0.07 0.00 0.44 0.09 0.00 0.00 178.44 179.19 3gr9 h ASP 24 N -0.23 -0.16 0.56 -0.43 3.32 0.68 0.47 116.42 120.63 3gr9 h ASP 24 Ca -0.01 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3gr9 h ASP 24 Cb 0.20 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3gr9 h ASP 24 CO 0.02 -0.04 0.00 0.77 -1.72 0.00 0.00 179.24 178.26 3gr9 h SER 25 N 0.11 0.00 -5.68 6.45 4.64 -0.92 -3.46 113.55 114.69 3gr9 h SER 25 Ca 0.20 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.12 3gr9 h SER 25 Cb 0.28 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.50 3gr9 h SER 25 CO -0.33 0.00 -0.67 0.29 -0.87 0.00 0.00 176.83 175.25 3gr9 n LYS 26 N -2.92 -7.52 -3.61 4.77 4.76 0.16 -4.96 118.16 108.84 3gr9 n LYS 26 Ca -0.01 0.83 -0.29 0.00 -2.87 0.00 0.00 58.31 55.98 3gr9 n LYS 26 Cb 0.20 -5.86 -0.14 0.00 -1.84 0.00 0.00 35.03 27.38 3gr9 n LYS 26 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 3gr9 s MET 27 N -6.25 0.69 0.00 1.97 -1.94 -1.21 -5.00 119.30 107.57 3gr9 s MET 27 Ca 0.55 -1.24 0.24 0.00 -1.71 0.00 0.00 55.69 53.53 3gr9 s MET 27 Cb -0.25 -1.71 0.27 0.00 2.01 0.00 0.00 34.83 35.15 3gr9 s MET 27 CO 0.69 -1.09 1.25 1.19 -0.01 0.00 0.00 175.02 177.05 3gr9 n PHE 28 N 4.41 0.00 -3.58 -0.03 3.72 -1.26 -4.82 117.46 115.90 3gr9 n PHE 28 Ca 0.03 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.08 3gr9 n PHE 28 Cb 0.39 -0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 38.81 3gr9 n PHE 28 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3gr9 s THR 29 N -2.58 5.11 -0.31 4.37 -4.23 -1.26 -2.41 115.64 114.33 3gr9 s THR 29 Ca 0.19 0.52 -0.21 0.00 -1.18 0.00 0.00 61.69 61.01 3gr9 s THR 29 Cb 0.18 -3.65 -0.10 0.00 1.34 0.00 0.00 72.50 70.28 3gr9 s THR 29 CO 0.60 0.38 1.14 0.80 -0.54 0.00 0.00 174.62 176.99 3gr9 n MET 30 N 1.18 0.00 0.00 3.99 1.56 -1.26 -4.49 117.12 118.11 3gr9 n MET 30 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.33 3gr9 n MET 30 Cb 0.52 -0.75 0.00 0.00 2.15 0.00 0.00 33.22 35.14 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 3.66 4.41 0.20 -5.12 0.00 -1.26 -4.96 105.19 102.12 3gr9 n GLY 31 Ca 0.29 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 0.62 -0.91 1.61 4.39 -1.95 -3.04 114.58 115.29 3gr9 h GLU 32 Ca 0.00 -0.26 0.12 0.00 0.34 0.00 0.00 59.36 59.56 3gr9 h GLU 32 Cb 0.00 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.54 3gr9 h GLU 32 CO 0.00 0.83 0.54 1.88 -1.16 0.00 0.00 179.01 181.10 3gr9 h TYR 33 N 0.38 0.98 0.09 4.33 0.05 -1.94 0.61 116.97 121.47 3gr9 h TYR 33 Ca 0.07 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 3gr9 h TYR 33 Cb 0.62 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.06 3gr9 h TYR 33 CO 0.06 0.37 -0.04 0.28 -1.05 0.00 0.00 178.16 177.77 3gr9 h VAL 34 N 0.86 1.04 -0.44 -2.88 2.07 -1.82 0.80 116.25 115.88 3gr9 h VAL 34 Ca 0.46 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3gr9 h VAL 34 Cb 0.47 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3gr9 h VAL 34 CO -0.27 0.12 0.29 0.50 0.02 0.00 0.00 177.57 178.22 3gr9 h LYS 35 N -0.34 0.57 -0.04 1.57 3.64 -1.17 0.32 116.57 121.12 3gr9 h LYS 35 Ca -0.01 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3gr9 h LYS 35 Cb 0.29 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3gr9 h LYS 35 CO 0.02 0.38 -0.32 1.96 -2.27 0.00 0.00 179.45 179.22 3gr9 h GLN 36 N 0.59 0.29 -0.88 1.90 4.20 -0.66 -2.18 115.11 118.37 3gr9 h GLN 36 Ca 0.16 -0.25 0.08 0.00 0.06 0.00 0.00 58.65 58.69 3gr9 h GLN 36 Cb -0.07 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 3gr9 h GLN 36 CO -0.03 0.92 0.54 -0.92 -0.67 0.00 0.00 178.83 178.67 3gr9 h TYR 37 N -0.26 0.99 -0.21 2.96 3.20 -0.28 0.22 116.97 123.60 3gr9 h TYR 37 Ca -0.03 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3gr9 h TYR 37 Cb 1.00 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 3gr9 h TYR 37 CO 0.14 0.46 0.02 0.93 -1.64 0.00 0.00 178.16 178.08 3gr9 h GLU 38 N 0.95 0.35 -0.73 1.82 5.08 -0.38 0.10 114.58 121.76 3gr9 h GLU 38 Ca 0.40 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.73 3gr9 h GLU 38 Cb 0.26 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 3gr9 h GLU 38 CO -0.20 0.52 0.41 1.15 -1.00 0.00 0.00 179.01 179.89 3gr9 h THR 39 N 0.13 0.96 -0.28 1.13 2.02 -0.90 -1.61 112.91 114.37 3gr9 h THR 39 Ca 0.06 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 3gr9 h THR 39 Cb 0.35 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3gr9 h THR 39 CO 0.01 0.14 -0.35 1.56 0.37 0.00 0.00 175.52 177.24 3gr9 h GLN 40 N 0.74 0.73 -0.77 6.66 1.08 -0.46 -2.79 115.11 120.31 3gr9 h GLN 40 Ca 0.33 -0.41 0.05 0.00 -1.45 0.00 0.00 58.65 57.17 3gr9 h GLN 40 Cb 0.24 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.64 3gr9 h GLN 40 CO -0.20 1.04 0.47 0.35 -0.95 0.00 0.00 178.83 179.53 3gr9 h PHE 41 N 0.48 0.87 0.83 2.96 3.04 -0.36 0.21 116.94 124.97 3gr9 h PHE 41 Ca 0.04 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 3gr9 h PHE 41 Cb 0.93 -0.28 0.01 0.00 2.56 0.00 0.00 35.95 39.17 3gr9 h PHE 41 CO 0.08 0.46 -0.40 0.00 -2.02 0.00 0.00 178.31 176.43 3gr9 h ALA 42 N 1.35 -1.24 -0.74 2.41 0.00 -1.32 -2.16 119.26 117.55 3gr9 h ALA 42 Ca 0.33 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.16 3gr9 h ALA 42 Cb 0.11 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3gr9 h ALA 42 CO -0.15 -1.16 0.51 -0.22 0.00 0.00 0.00 179.25 178.22 3gr9 h LYS 43 N -1.16 0.29 -0.03 0.00 3.64 -1.30 0.14 116.57 118.15 3gr9 h LYS 43 Ca -0.11 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3gr9 h LYS 43 Cb 0.85 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3gr9 h LYS 43 CO 0.19 0.19 -0.00 1.15 -2.27 0.00 0.00 179.45 178.71 3gr9 h THR 44 N 0.30 1.27 -0.07 1.00 2.02 -0.22 -3.21 112.91 114.00 3gr9 h THR 44 Ca 0.37 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3gr9 h THR 44 Cb 1.00 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 3gr9 h THR 44 CO -0.10 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.50 3gr9 n PHE 45 N -4.90 0.07 -2.71 3.16 3.72 -0.85 -4.95 117.46 111.00 3gr9 n PHE 45 Ca -0.08 -0.03 -0.08 0.00 -0.05 0.00 0.00 57.45 57.21 3gr9 n PHE 45 Cb 0.19 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.76 3gr9 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gr9 n GLY 46 N 1.22 0.22 3.58 1.37 0.00 0.41 -4.50 105.19 107.50 3gr9 n GLY 46 Ca 0.17 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.37 4.28 -0.01 1.61 0.15 -0.70 -5.02 113.70 110.65 3gr9 s SER 47 Ca 0.09 -0.63 -0.17 0.00 0.70 0.00 0.00 55.95 55.94 3gr9 s SER 47 Cb -0.04 -0.72 -0.09 0.00 -1.71 0.00 0.00 66.02 63.45 3gr9 s SER 47 CO 0.29 0.07 0.81 0.11 1.20 0.00 0.00 173.24 175.71 3gr9 h LYS 48 N 2.58 -0.58 -6.24 5.44 1.57 -1.86 -3.38 116.57 114.10 3gr9 h LYS 48 Ca -0.46 0.04 -0.56 0.00 -1.87 0.00 0.00 60.65 57.80 3gr9 h LYS 48 Cb 1.22 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 33.57 3gr9 h LYS 48 CO 0.56 -0.39 -0.62 0.71 -0.57 0.00 0.00 179.45 179.14 3gr9 s TYR 49 N -3.62 2.83 0.03 -1.35 2.02 0.49 -4.82 117.35 112.93 3gr9 s TYR 49 Ca -0.09 -0.17 -0.04 0.00 -0.37 0.00 0.00 57.07 56.40 3gr9 s TYR 49 Cb 0.01 -1.29 -0.01 0.00 -0.40 0.00 0.00 41.96 40.26 3gr9 s TYR 49 CO 0.26 0.57 0.05 0.00 -1.57 0.00 0.00 175.55 174.86 3gr9 s ALA 50 N -2.11 0.01 -0.04 3.71 0.00 -1.26 -1.54 121.76 120.53 3gr9 s ALA 50 Ca 0.31 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 3gr9 s ALA 50 Cb -0.08 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.27 3gr9 s ALA 50 CO 0.21 -0.26 0.10 0.08 0.00 0.00 0.00 175.76 175.88 3gr9 s VAL 51 N -2.21 -0.04 -0.08 0.00 1.01 -0.33 -4.89 120.40 113.87 3gr9 s VAL 51 Ca -0.09 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 3gr9 s VAL 51 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 3gr9 s VAL 51 CO -0.03 0.05 -0.04 -0.32 0.00 0.00 0.00 175.10 174.76 3gr9 s MET 52 N 0.77 2.88 0.28 2.72 1.75 -1.26 0.10 119.30 126.54 3gr9 s MET 52 Ca -0.06 -0.50 0.03 0.00 -1.25 0.00 0.00 55.69 53.91 3gr9 s MET 52 Cb -0.08 -2.68 -0.04 0.00 2.84 0.00 0.00 34.83 34.87 3gr9 s MET 52 CO -0.03 0.65 0.17 0.14 -0.65 0.00 0.00 175.02 175.30 3gr9 s VAL 53 N -0.76 0.22 0.40 10.11 -7.23 0.57 -4.26 120.40 119.45 3gr9 s VAL 53 Ca 0.12 -2.00 0.12 0.00 -1.81 0.00 0.00 61.98 58.41 3gr9 s VAL 53 Cb -0.11 -2.52 0.33 0.00 0.56 0.00 0.00 36.38 34.64 3gr9 s VAL 53 CO 0.02 0.00 1.93 0.77 -0.31 0.00 0.00 175.10 177.50 3gr9 h SER 54 N 2.31 0.49 -5.13 4.85 4.64 -1.34 0.39 113.55 119.76 3gr9 h SER 54 Ca -0.33 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 3gr9 h SER 54 Cb 1.25 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 3gr9 h SER 54 CO 0.50 0.27 0.08 -0.94 -0.87 0.00 0.00 176.83 175.88 3gr9 s SER 55 N -6.01 -0.04 0.39 4.97 1.04 -1.26 -1.05 113.70 111.74 3gr9 s SER 55 Ca -0.09 -0.90 0.11 0.00 0.48 0.00 0.00 55.95 55.55 3gr9 s SER 55 Cb 0.21 0.70 0.78 0.00 0.10 0.00 0.00 66.02 67.81 3gr9 s SER 55 CO 0.77 -1.34 1.89 1.23 0.98 0.00 0.00 173.24 176.77 3gr9 h GLY 56 N 2.10 0.17 1.15 7.32 0.00 -1.75 -2.10 103.07 109.96 3gr9 h GLY 56 Ca -0.25 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 3gr9 h GLY 56 CO 0.32 0.11 -0.09 1.76 0.00 0.00 0.00 176.54 178.64 3gr9 h SER 57 N 0.15 0.99 1.40 0.19 0.02 -1.91 -1.17 113.55 113.22 3gr9 h SER 57 Ca 0.03 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 3gr9 h SER 57 Cb 0.45 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 3gr9 h SER 57 CO 0.03 1.09 -0.11 0.71 -1.14 0.00 0.00 176.83 177.41 3gr9 h THR 58 N 0.89 0.22 0.26 -2.27 1.35 -1.89 -0.19 112.91 111.28 3gr9 h THR 58 Ca 0.14 -1.02 -0.01 0.00 -0.55 0.00 0.00 66.41 64.97 3gr9 h THR 58 Cb 0.64 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3gr9 h THR 58 CO 0.04 0.11 -0.13 0.00 -0.25 0.00 0.00 175.52 175.29 3gr9 h ALA 59 N 1.89 -0.35 -0.64 6.62 0.00 -0.55 -0.55 119.26 125.67 3gr9 h ALA 59 Ca -0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3gr9 h ALA 59 Cb 0.84 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3gr9 h ALA 59 CO 0.01 -0.63 0.07 -0.91 0.00 0.00 0.00 179.25 177.80 3gr9 h ASN 60 N -0.48 1.03 -0.06 0.00 2.35 -1.23 -1.93 115.58 115.26 3gr9 h ASN 60 Ca -0.04 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.49 3gr9 h ASN 60 Cb 0.36 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.40 3gr9 h ASN 60 CO 0.06 1.04 -0.47 0.25 -1.65 0.00 0.00 177.43 176.67 3gr9 h LEU 61 N 1.00 -1.44 -1.63 1.61 5.85 -0.83 -2.13 115.31 117.74 3gr9 h LEU 61 Ca 0.19 0.18 0.01 0.00 0.84 0.00 0.00 57.88 59.10 3gr9 h LEU 61 Cb 0.47 0.57 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3gr9 h LEU 61 CO 0.02 -0.47 0.26 -0.07 -0.34 0.00 0.00 178.44 177.84 3gr9 h LEU 62 N -0.57 0.43 0.03 2.25 3.38 -0.97 -2.82 115.31 117.04 3gr9 h LEU 62 Ca 0.05 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3gr9 h LEU 62 Cb 0.67 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3gr9 h LEU 62 CO -0.37 0.31 -0.15 -0.03 0.09 0.00 0.00 178.44 178.29 3gr9 h MET 63 N 0.51 -0.26 0.50 1.13 4.05 -0.68 0.59 114.93 120.77 3gr9 h MET 63 Ca 0.15 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 3gr9 h MET 63 Cb -0.02 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 3gr9 h MET 63 CO -0.03 -0.17 -0.24 0.82 0.23 0.00 0.00 176.91 177.52 3gr9 h ILE 64 N -0.27 0.48 -0.74 1.77 1.08 -1.39 -3.17 117.51 115.27 3gr9 h ILE 64 Ca 0.04 -0.19 0.13 0.00 -0.39 0.00 0.00 64.86 64.45 3gr9 h ILE 64 Cb 0.31 0.57 -0.09 0.00 -3.07 0.00 0.00 36.82 34.54 3gr9 h ILE 64 CO -0.12 0.03 0.30 0.00 -0.69 0.00 0.00 178.15 177.67 3gr9 h ALA 65 N -0.35 1.04 -0.79 1.87 0.00 -1.47 -2.36 119.26 117.20 3gr9 h ALA 65 Ca -0.07 0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.13 3gr9 h ALA 65 Cb 0.57 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.31 3gr9 h ALA 65 CO 0.11 -0.19 0.21 0.00 0.00 0.00 0.00 179.25 179.38 3gr9 h ALA 66 N 1.53 1.07 0.00 0.00 0.00 -0.85 0.62 119.26 121.62 3gr9 h ALA 66 Ca 0.40 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3gr9 h ALA 66 Cb 0.59 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3gr9 h ALA 66 CO -0.38 -0.36 0.00 -0.07 0.00 0.00 0.00 179.25 178.43 3gr9 h LEU 67 N 0.27 0.00 0.00 0.00 3.38 -1.46 -1.88 115.31 115.62 3gr9 h LEU 67 Ca 0.46 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.36 3gr9 h LEU 67 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3gr9 h LEU 67 CO -0.55 0.00 -0.61 -0.26 0.09 0.00 0.00 178.44 177.11 3gr9 h PHE 68 N 0.00 0.00 -0.02 1.13 0.04 -0.97 -1.29 116.94 115.84 3gr9 h PHE 68 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3gr9 h PHE 68 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 3gr9 h PHE 68 CO 0.00 0.30 -0.39 1.19 -0.60 0.00 0.00 178.31 178.80 3gr9 n PHE 69 N -3.04 0.00 -1.88 -0.55 3.72 -0.71 -4.80 117.46 110.20 3gr9 n PHE 69 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.03 3gr9 n PHE 69 Cb 0.67 -0.00 0.04 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 -2.40 2.30 0.28 4.37 -4.23 -1.24 -4.85 115.64 109.88 3gr9 s THR 70 Ca 0.20 0.22 -0.07 0.00 -1.18 0.00 0.00 61.69 60.85 3gr9 s THR 70 Cb 0.18 -3.10 0.45 0.00 1.34 0.00 0.00 72.50 71.38 3gr9 s THR 70 CO 0.53 -0.01 1.55 0.29 -0.54 0.00 0.00 174.62 176.43 3gr9 n LYS 71 N -1.16 -0.09 -3.72 3.99 4.76 -1.26 -2.54 118.16 118.15 3gr9 n LYS 71 Ca 0.11 1.54 -0.38 0.00 -2.87 0.00 0.00 58.31 56.71 3gr9 n LYS 71 Cb 0.47 -2.31 -0.11 0.00 -1.84 0.00 0.00 35.03 31.23 3gr9 n LYS 71 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3gr9 s LYS 72 N -6.24 2.44 0.11 1.97 2.36 -1.26 -5.05 119.74 114.08 3gr9 s LYS 72 Ca -0.15 -1.46 -0.31 0.00 -2.55 0.00 0.00 55.97 51.50 3gr9 s LYS 72 Cb 0.27 -3.58 -0.08 0.00 -1.05 0.00 0.00 37.83 33.38 3gr9 s LYS 72 CO 0.77 -0.88 1.45 -1.25 1.55 0.00 0.00 175.35 176.99 3gr9 s PRO 73 N 1.33 4.29 0.24 4.03 0.04 -1.05 -4.92 135.00 138.95 3gr9 s PRO 73 Ca 0.02 2.14 0.14 0.00 0.04 0.00 0.00 61.00 63.34 3gr9 s PRO 73 Cb -0.22 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.04 3gr9 s PRO 73 CO 0.00 -0.51 1.38 0.00 0.04 0.00 0.00 177.00 177.92 3gr9 h ARG 74 N 7.02 0.00 -4.57 4.56 2.47 -1.54 -3.45 114.38 118.87 3gr9 h ARG 74 Ca -0.42 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 57.97 3gr9 h ARG 74 Cb 1.20 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 29.27 3gr9 h ARG 74 CO 0.88 0.57 -0.76 -0.51 0.56 0.00 0.00 179.97 180.72 3gr9 s LEU 75 N -6.47 2.12 0.15 3.04 1.43 -0.97 -5.03 118.68 112.95 3gr9 s LEU 75 Ca 0.03 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3gr9 s LEU 75 Cb 0.08 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 3gr9 s LEU 75 CO 0.76 -0.03 -0.12 -1.59 0.23 0.00 0.00 176.35 175.61 3gr9 s LYS 76 N -0.76 1.11 0.55 1.70 -2.85 -1.26 -4.44 119.74 113.78 3gr9 s LYS 76 Ca -0.02 -1.44 -0.22 0.00 -1.00 0.00 0.00 55.97 53.30 3gr9 s LYS 76 Cb -0.06 -0.77 -0.05 0.00 -2.06 0.00 0.00 37.83 34.89 3gr9 s LYS 76 CO 0.00 0.11 1.33 0.36 0.10 0.00 0.00 175.35 177.25 3gr9 n LYS 77 N -0.10 1.63 -0.84 1.78 2.85 -1.26 -2.00 118.16 120.21 3gr9 n LYS 77 Ca -0.11 0.60 0.00 0.00 -1.05 0.00 0.00 58.31 57.75 3gr9 n LYS 77 Cb 0.60 -2.54 0.00 0.00 -0.65 0.00 0.00 35.03 32.44 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 0.80 0.93 3.78 2.58 0.00 0.91 -4.94 105.19 109.26 3gr9 n GLY 78 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3gr9 n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gr9 s ASP 79 N -3.00 5.89 -0.22 1.61 1.11 -0.85 -4.34 116.67 116.87 3gr9 s ASP 79 Ca 0.00 2.08 -0.23 0.00 0.18 0.00 0.00 52.55 54.57 3gr9 s ASP 79 Cb 0.00 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.41 3gr9 s ASP 79 CO 0.00 -1.10 0.77 -0.70 1.18 0.00 0.00 175.17 175.32 3gr9 s GLU 80 N -3.33 4.20 -0.04 8.23 2.12 -1.26 -1.63 118.70 126.99 3gr9 s GLU 80 Ca 0.70 0.85 0.04 0.00 0.36 0.00 0.00 54.97 56.93 3gr9 s GLU 80 Cb -0.21 -3.62 -0.00 0.00 0.26 0.00 0.00 34.13 30.55 3gr9 s GLU 80 CO 0.26 -0.43 -0.18 -1.50 -0.54 0.00 0.00 175.26 172.87 3gr9 s ILE 81 N 2.53 1.47 0.00 -3.70 2.07 -0.29 -0.64 121.20 122.64 3gr9 s ILE 81 Ca 0.33 -0.74 -0.01 0.00 -1.41 0.00 0.00 60.65 58.83 3gr9 s ILE 81 Cb -0.16 -1.26 -0.04 0.00 0.13 0.00 0.00 42.46 41.13 3gr9 s ILE 81 CO 0.09 0.42 0.11 -0.63 -1.91 0.00 0.00 174.94 173.02 3gr9 s ILE 82 N 0.01 4.91 0.05 2.00 1.01 -0.06 -2.27 121.20 126.86 3gr9 s ILE 82 Ca -0.04 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 3gr9 s ILE 82 Cb -0.12 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 3gr9 s ILE 82 CO 0.02 0.32 0.10 0.68 0.00 0.00 0.00 174.94 176.06 3gr9 s VAL 83 N -1.25 0.15 0.67 2.92 -7.23 -0.98 -0.30 120.40 114.38 3gr9 s VAL 83 Ca 0.25 -1.24 -0.09 0.00 -1.81 0.00 0.00 61.98 59.08 3gr9 s VAL 83 Cb -0.12 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.72 3gr9 s VAL 83 CO 0.16 -0.69 1.03 -2.16 -0.31 0.00 0.00 175.10 173.13 3gr9 s PRO 84 N -3.15 2.78 0.00 4.82 0.04 -1.26 0.77 135.00 139.00 3gr9 s PRO 84 Ca -0.00 0.22 0.30 0.00 0.04 0.00 0.00 61.00 61.56 3gr9 s PRO 84 Cb 0.02 -2.12 1.56 0.00 0.04 0.00 0.00 34.50 34.01 3gr9 s PRO 84 CO -0.07 -0.96 2.03 0.00 0.04 0.00 0.00 177.00 178.04 3gr9 n ALA 85 N -2.87 2.64 -3.93 8.56 0.00 0.57 -4.55 120.51 120.94 3gr9 n ALA 85 Ca 0.06 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 3gr9 n ALA 85 Cb 0.58 -1.38 -0.16 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.00 1.41 0.20 0.00 1.01 -1.26 -2.16 120.40 117.60 3gr9 s VAL 86 Ca 0.44 -1.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 3gr9 s VAL 86 Cb 0.21 -1.66 0.06 0.00 0.00 0.00 0.00 36.38 35.00 3gr9 s VAL 86 CO 0.35 -0.04 0.83 -0.24 0.00 0.00 0.00 175.10 176.01 3gr9 n SER 87 N 4.73 -1.58 -4.74 3.32 2.88 -1.26 -5.03 113.62 111.94 3gr9 n SER 87 Ca -0.12 -1.90 -0.40 0.00 -1.33 0.00 0.00 58.87 55.11 3gr9 n SER 87 Cb 0.45 2.58 -0.05 0.00 -0.75 0.00 0.00 64.21 66.44 3gr9 n SER 87 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3gr9 s TRP 88 N -2.82 3.86 0.25 0.66 -0.11 -1.26 -4.48 118.94 115.04 3gr9 s TRP 88 Ca 0.18 1.83 0.01 0.00 1.22 0.00 0.00 56.10 59.34 3gr9 s TRP 88 Cb -0.03 -3.06 0.59 0.00 -1.50 0.00 0.00 33.47 29.48 3gr9 s TRP 88 CO 0.06 0.19 1.26 -1.13 -4.62 0.00 0.00 176.95 172.71 3gr9 n SER 89 N 2.00 -0.11 0.00 5.86 3.41 -1.26 -0.18 113.62 123.34 3gr9 n SER 89 Ca -0.00 1.37 0.07 0.00 -0.26 0.00 0.00 58.87 60.06 3gr9 n SER 89 Cb 0.47 -0.49 0.42 0.00 -0.26 0.00 0.00 64.21 64.35 3gr9 n SER 89 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gr9 n THR 90 N -5.16 0.24 0.12 6.66 -2.24 -1.26 -0.97 114.28 111.67 3gr9 n THR 90 Ca 0.18 0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 62.01 3gr9 n THR 90 Cb 0.60 -0.82 0.10 0.00 -2.10 0.00 0.00 70.33 68.12 3gr9 n THR 90 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3gr9 h THR 91 N 0.00 1.39 0.10 4.28 2.02 -0.94 -3.39 112.91 116.37 3gr9 h THR 91 Ca 0.00 -2.40 -0.37 0.00 0.77 0.00 0.00 66.41 64.41 3gr9 h THR 91 Cb 0.05 2.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 3gr9 h THR 91 CO 0.00 0.67 -2.08 -1.22 0.37 0.00 0.00 175.52 173.25 3gr9 n TYR 92 N -3.59 1.01 -0.31 3.16 4.01 -0.14 -4.52 117.16 116.78 3gr9 n TYR 92 Ca -0.00 0.22 0.13 0.00 -0.16 0.00 0.00 57.90 58.08 3gr9 n TYR 92 Cb 0.70 -1.13 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 0.03 0.73 -0.91 -0.72 0.05 -1.73 -1.15 116.97 113.28 3gr9 h TYR 93 Ca -0.45 0.04 0.09 0.00 0.05 0.00 0.00 58.73 58.45 3gr9 h TYR 93 Cb 1.99 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 39.49 3gr9 h TYR 93 CO 0.07 0.01 0.58 -1.35 -1.05 0.00 0.00 178.16 176.43 3gr9 h PRO 94 N 0.47 0.91 -0.23 4.88 0.11 -1.79 2.03 132.00 138.38 3gr9 h PRO 94 Ca 0.56 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.43 3gr9 h PRO 94 Cb 1.02 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3gr9 h PRO 94 CO -0.49 0.60 -0.58 -0.07 -0.21 0.00 0.00 178.00 177.25 3gr9 h LEU 95 N 0.93 0.81 -0.16 2.35 3.38 -1.47 0.18 115.31 121.33 3gr9 h LEU 95 Ca 0.41 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3gr9 h LEU 95 Cb 0.36 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3gr9 h LEU 95 CO -0.18 1.21 -0.17 -0.61 0.09 0.00 0.00 178.44 178.78 3gr9 h GLN 96 N 0.55 0.41 0.00 1.13 -0.00 -0.95 -1.27 115.11 114.98 3gr9 h GLN 96 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 3gr9 h GLN 96 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.65 3gr9 h GLN 96 CO 0.12 0.79 0.00 1.96 0.00 0.00 0.00 178.83 181.69 3gr9 h GLN 97 N 0.05 0.00 -0.02 1.69 4.20 0.34 -2.41 115.11 118.96 3gr9 h GLN 97 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3gr9 h GLN 97 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3gr9 h GLN 97 CO 0.04 0.00 -0.24 0.66 -0.67 0.00 0.00 178.83 178.62 3gr9 n TYR 98 N -3.06 0.00 -1.97 2.96 4.02 0.63 -4.97 117.16 114.77 3gr9 n TYR 98 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.87 3gr9 n TYR 98 Cb 0.17 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.48 3gr9 n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gr9 n GLY 99 N 1.37 0.34 3.91 2.72 0.00 -0.72 -4.58 105.19 108.22 3gr9 n GLY 99 Ca 0.12 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.23 4.22 -0.11 0.99 1.43 -0.56 0.31 118.68 124.73 3gr9 s LEU 100 Ca 0.00 0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 3gr9 s LEU 100 Cb 0.00 -3.33 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 3gr9 s LEU 100 CO 0.00 -0.02 0.36 -0.60 0.23 0.00 0.00 176.35 176.32 3gr9 s ARG 101 N -2.99 4.16 -0.14 1.70 3.52 -0.64 -4.56 118.95 119.99 3gr9 s ARG 101 Ca 0.41 0.25 0.01 0.00 -0.13 0.00 0.00 55.73 56.27 3gr9 s ARG 101 Cb -0.12 -3.37 -0.00 0.00 -1.56 0.00 0.00 34.95 29.90 3gr9 s ARG 101 CO 0.26 0.35 -0.17 0.08 -0.81 0.00 0.00 175.30 175.01 3gr9 s VAL 102 N 0.08 2.57 -0.31 7.11 1.01 -0.93 -1.14 120.40 128.80 3gr9 s VAL 102 Ca 0.21 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 3gr9 s VAL 102 Cb -0.14 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3gr9 s VAL 102 CO 0.08 0.53 0.06 -0.75 0.00 0.00 0.00 175.10 175.01 3gr9 s LYS 103 N 0.69 2.75 0.37 2.72 2.20 -0.96 -0.78 119.74 126.73 3gr9 s LYS 103 Ca -0.08 -1.07 -0.26 0.00 -0.36 0.00 0.00 55.97 54.20 3gr9 s LYS 103 Cb -0.16 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.75 3gr9 s LYS 103 CO 0.02 -0.56 1.09 -0.06 -0.36 0.00 0.00 175.35 175.49 3gr9 s PHE 104 N 1.39 3.29 -0.02 4.03 0.08 0.13 -2.31 117.98 124.57 3gr9 s PHE 104 Ca -0.01 1.63 0.04 0.00 0.12 0.00 0.00 56.93 58.72 3gr9 s PHE 104 Cb -0.18 -3.24 -0.01 0.00 -0.57 0.00 0.00 43.02 39.02 3gr9 s PHE 104 CO 0.01 -0.80 -0.15 0.08 -0.10 0.00 0.00 175.22 174.27 3gr9 s VAL 105 N -1.46 1.20 0.72 -0.44 1.01 0.23 -1.75 120.40 119.92 3gr9 s VAL 105 Ca 0.54 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 3gr9 s VAL 105 Cb -0.27 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.13 3gr9 s VAL 105 CO 0.34 0.35 1.13 -0.62 0.00 0.00 0.00 175.10 176.29 3gr9 s ASP 106 N -0.17 4.58 0.81 3.32 -1.08 -1.26 0.21 116.67 123.08 3gr9 s ASP 106 Ca 0.02 2.04 -0.05 0.00 -0.52 0.00 0.00 52.55 54.04 3gr9 s ASP 106 Cb -0.08 -2.55 0.16 0.00 -1.46 0.00 0.00 42.92 38.98 3gr9 s ASP 106 CO 0.00 -1.99 1.00 2.30 0.52 0.00 0.00 175.17 177.01 3gr9 n ILE 107 N -2.91 0.00 -4.27 4.11 -5.35 -1.26 -0.86 119.36 108.82 3gr9 n ILE 107 Ca 0.11 -1.24 -0.34 0.00 -0.27 0.00 0.00 62.75 61.00 3gr9 n ILE 107 Cb 0.52 -1.15 -0.10 0.00 -1.74 0.00 0.00 39.64 37.17 3gr9 n ILE 107 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3gr9 s ASP 108 N -4.91 5.25 0.37 7.28 -1.08 0.16 -3.93 116.67 119.80 3gr9 s ASP 108 Ca 0.63 0.05 0.27 0.00 -0.52 0.00 0.00 52.55 52.98 3gr9 s ASP 108 Cb -0.03 -1.72 1.23 0.00 -1.46 0.00 0.00 42.92 40.94 3gr9 s ASP 108 CO 0.42 0.26 1.82 -0.29 0.52 0.00 0.00 175.17 177.90 3gr9 h ILE 109 N 4.65 0.00 0.00 4.11 6.09 -1.95 0.27 117.51 130.68 3gr9 h ILE 109 Ca -0.41 -0.22 -0.13 0.00 -1.37 0.00 0.00 64.86 62.73 3gr9 h ILE 109 Cb 1.19 0.98 -0.02 0.00 0.47 0.00 0.00 36.82 39.43 3gr9 h ILE 109 CO 0.62 0.00 -0.81 0.78 -3.07 0.00 0.00 178.15 175.67 3gr9 h ASN 110 N 0.00 0.00 0.98 2.19 2.35 -1.93 -3.39 115.58 115.78 3gr9 h ASN 110 Ca 0.00 -0.50 -0.20 0.00 -0.55 0.00 0.00 56.30 55.06 3gr9 h ASN 110 Cb 0.28 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3gr9 h ASN 110 CO 0.00 1.22 -1.07 0.71 -1.65 0.00 0.00 177.43 176.63 3gr9 h THR 111 N -1.00 1.19 0.00 2.81 1.35 -1.76 -0.12 112.91 115.37 3gr9 h THR 111 Ca -0.20 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 62.84 3gr9 h THR 111 Cb 1.04 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 3gr9 h THR 111 CO -0.12 0.68 0.00 0.18 -0.25 0.00 0.00 175.52 176.01 3gr9 n LEU 112 N -3.20 0.26 -4.98 3.87 4.77 0.08 -4.82 117.00 112.97 3gr9 n LEU 112 Ca -0.04 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.74 3gr9 n LEU 112 Cb 0.90 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3gr9 n LEU 112 CO 0.45 -0.18 0.12 0.20 -1.33 0.00 0.00 177.39 176.65 3gr9 s ASN 113 N -2.45 5.92 0.15 -1.43 0.01 -1.26 -4.71 114.94 111.16 3gr9 s ASN 113 Ca 0.00 -0.07 -0.33 0.00 -0.71 0.00 0.00 52.86 51.75 3gr9 s ASN 113 Cb 0.00 -1.29 -0.17 0.00 0.41 0.00 0.00 41.25 40.20 3gr9 s ASN 113 CO 0.00 -0.52 0.91 0.00 -1.51 0.00 0.00 177.10 175.99 3gr9 n ILE 114 N -1.76 1.13 -2.42 0.60 3.06 -1.26 0.41 119.36 119.11 3gr9 n ILE 114 Ca 0.00 -0.28 -0.43 0.00 -2.50 0.00 0.00 62.75 59.55 3gr9 n ILE 114 Cb 0.58 -0.36 -0.02 0.00 0.54 0.00 0.00 39.64 40.37 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 -0.38 6.95 0.12 9.51 2.15 -0.04 -4.40 116.67 130.57 3gr9 s ASP 115 Ca 0.73 1.70 -0.20 0.00 0.43 0.00 0.00 52.55 55.22 3gr9 s ASP 115 Cb -0.97 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 39.05 3gr9 s ASP 115 CO 0.55 -0.76 1.77 0.40 -0.17 0.00 0.00 175.17 176.96 3gr9 h ILE 116 N 5.48 1.02 -0.23 4.11 1.08 -1.90 -2.28 117.51 124.78 3gr9 h ILE 116 Ca -0.27 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.17 3gr9 h ILE 116 Cb 1.11 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 3gr9 h ILE 116 CO 0.97 0.04 0.16 -0.33 -0.69 0.00 0.00 178.15 178.30 3gr9 h GLU 117 N 0.24 0.07 0.00 2.37 4.39 -1.99 0.17 114.58 119.83 3gr9 h GLU 117 Ca 0.08 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.59 3gr9 h GLU 117 Cb -0.00 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3gr9 h GLU 117 CO -0.04 0.05 -0.87 0.77 -1.16 0.00 0.00 179.01 177.76 3gr9 h SER 118 N 0.08 0.00 -0.30 1.42 0.02 -1.81 -3.13 113.55 109.82 3gr9 h SER 118 Ca 0.11 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 3gr9 h SER 118 Cb 0.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3gr9 h SER 118 CO -0.01 0.87 -0.23 0.25 -1.14 0.00 0.00 176.83 176.58 3gr9 h LEU 119 N 0.00 0.72 -0.96 5.07 5.85 -0.73 0.49 115.31 125.75 3gr9 h LEU 119 Ca -0.01 -0.44 0.22 0.00 0.84 0.00 0.00 57.88 58.49 3gr9 h LEU 119 Cb 1.55 -0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.26 3gr9 h LEU 119 CO 0.11 1.01 0.53 0.11 -0.34 0.00 0.00 178.44 179.87 3gr9 h LYS 120 N 0.44 0.55 0.13 1.25 1.57 -0.67 -0.97 116.57 118.87 3gr9 h LYS 120 Ca 0.06 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 58.48 3gr9 h LYS 120 Cb 0.78 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3gr9 h LYS 120 CO 0.06 0.36 -1.66 0.93 -0.57 0.00 0.00 179.45 178.58 3gr9 h GLU 121 N 0.56 0.28 -0.52 3.15 4.39 -1.36 -3.38 114.58 117.71 3gr9 h GLU 121 Ca 0.60 -0.48 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 3gr9 h GLU 121 Cb 1.09 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 3gr9 h GLU 121 CO -0.47 1.15 0.15 0.00 -1.16 0.00 0.00 179.01 178.68 3gr9 h ALA 122 N 0.37 1.28 -2.30 3.43 0.00 0.11 -3.43 119.26 118.72 3gr9 h ALA 122 Ca -0.29 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 53.89 3gr9 h ALA 122 Cb 2.04 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.63 3gr9 h ALA 122 CO 0.15 0.51 1.24 0.08 0.00 0.00 0.00 179.25 181.23 3gr9 s VAL 123 N -5.24 3.10 0.17 0.00 1.01 -0.48 -4.95 120.40 114.01 3gr9 s VAL 123 Ca -0.09 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3gr9 s VAL 123 Cb 0.16 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3gr9 s VAL 123 CO 0.79 -0.02 0.05 0.35 0.00 0.00 0.00 175.10 176.28 3gr9 n THR 124 N 5.76 0.00 0.25 3.92 -2.24 -1.26 -5.00 114.28 115.71 3gr9 n THR 124 Ca 0.20 -0.97 0.09 0.00 -2.27 0.00 0.00 64.05 61.10 3gr9 n THR 124 Cb 0.42 0.33 0.63 0.00 -2.10 0.00 0.00 70.33 69.60 3gr9 n THR 124 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3gr9 h ASP 125 N 0.64 0.00 0.96 3.42 5.19 -2.00 -1.91 116.42 122.72 3gr9 h ASP 125 Ca -0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 3gr9 h ASP 125 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 3gr9 h ASP 125 CO 0.22 0.13 -0.78 0.28 -3.12 0.00 0.00 179.24 175.96 3gr9 h SER 126 N 0.00 0.00 -2.26 6.45 0.02 -1.98 -3.45 113.55 112.33 3gr9 h SER 126 Ca -0.00 -0.11 -0.55 0.00 -0.84 0.00 0.00 61.79 60.28 3gr9 h SER 126 Cb 0.25 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.80 3gr9 h SER 126 CO 0.02 0.06 1.32 -0.89 -1.14 0.00 0.00 176.83 176.19 3gr9 s THR 127 N -3.26 3.05 -0.20 -2.27 2.01 -0.72 -4.02 115.64 110.24 3gr9 s THR 127 Ca 0.03 0.06 0.13 0.00 0.31 0.00 0.00 61.69 62.22 3gr9 s THR 127 Cb 0.11 -3.05 -0.23 0.00 0.01 0.00 0.00 72.50 69.35 3gr9 s THR 127 CO 0.75 -0.02 0.07 0.29 -0.69 0.00 0.00 174.62 175.03 3gr9 n LYS 128 N 7.96 0.68 -3.83 4.92 4.76 0.18 -4.83 118.16 128.00 3gr9 n LYS 128 Ca 0.23 0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.63 3gr9 n LYS 128 Cb 0.43 -1.55 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 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 -2.51 -0.42 -0.10 7.82 0.00 -0.91 -1.62 121.76 124.01 3gr9 s ALA 129 Ca -0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 3gr9 s ALA 129 Cb 0.07 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.45 3gr9 s ALA 129 CO 0.77 -0.33 -0.05 0.42 0.00 0.00 0.00 175.76 176.57 3gr9 s ILE 130 N -2.25 0.83 -0.41 0.00 1.01 0.72 -0.88 121.20 120.22 3gr9 s ILE 130 Ca -0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 3gr9 s ILE 130 Cb -0.03 -0.89 0.06 0.00 0.01 0.00 0.00 42.46 41.62 3gr9 s ILE 130 CO -0.02 0.33 0.26 -0.22 0.00 0.00 0.00 174.94 175.29 3gr9 s LEU 131 N 1.77 5.07 0.23 2.97 2.96 0.59 0.12 118.68 132.39 3gr9 s LEU 131 Ca 0.05 -1.29 0.03 0.00 -0.22 0.00 0.00 54.13 52.70 3gr9 s LEU 131 Cb -0.12 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3gr9 s LEU 131 CO -0.07 -0.50 0.37 0.42 -1.32 0.00 0.00 176.35 175.25 3gr9 s THR 132 N 1.51 5.25 -0.06 3.68 -4.23 -0.45 -4.26 115.64 117.07 3gr9 s THR 132 Ca 0.03 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 3gr9 s THR 132 Cb -0.22 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 69.83 3gr9 s THR 132 CO 0.04 -0.29 0.00 -0.69 -0.54 0.00 0.00 174.62 173.15 3gr9 s VAL 133 N -1.96 0.34 -0.58 2.29 1.01 -1.26 -1.55 120.40 118.69 3gr9 s VAL 133 Ca 0.35 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.17 3gr9 s VAL 133 Cb -0.10 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.82 3gr9 s VAL 133 CO 0.30 0.24 1.28 0.20 0.00 0.00 0.00 175.10 177.12 3gr9 s ASN 134 N 1.79 6.31 -0.22 3.32 0.01 -1.17 -4.79 114.94 120.19 3gr9 s ASN 134 Ca 0.02 0.16 -0.25 0.00 -0.71 0.00 0.00 52.86 52.08 3gr9 s ASN 134 Cb -0.13 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 3gr9 s ASN 134 CO -0.04 -1.58 0.86 -0.22 -1.51 0.00 0.00 177.10 174.60 3gr9 s LEU 135 N 5.41 4.11 -1.00 0.60 2.96 -0.95 -4.20 118.68 125.62 3gr9 s LEU 135 Ca 0.46 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.49 3gr9 s LEU 135 Cb -0.09 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 43.36 3gr9 s LEU 135 CO 0.25 -0.50 0.00 0.18 -1.32 0.00 0.00 176.35 174.96 3gr9 n LEU 136 N 5.82 -1.00 0.00 -0.68 4.77 -1.26 -2.11 117.00 122.53 3gr9 n LEU 136 Ca 0.06 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3gr9 n LEU 136 Cb 0.48 -1.66 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 3gr9 n LEU 136 CO 0.48 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 3gr9 n GLY 137 N -1.47 0.33 3.64 -0.72 0.00 -0.47 0.33 105.19 106.83 3gr9 n GLY 137 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.29 6.61 0.55 1.61 2.47 -0.90 -0.21 114.94 122.78 3gr9 s ASN 138 Ca 0.00 0.74 -0.15 0.00 0.42 0.00 0.00 52.86 53.87 3gr9 s ASN 138 Cb 0.00 -2.33 -0.06 0.00 -1.45 0.00 0.00 41.25 37.40 3gr9 s ASN 138 CO 0.00 -0.31 1.01 -2.16 -3.72 0.00 0.00 177.10 171.92 3gr9 s PRO 139 N 2.20 3.74 0.57 0.43 0.04 -1.26 -2.23 135.00 138.48 3gr9 s PRO 139 Ca 0.27 0.97 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 3gr9 s PRO 139 Cb -0.16 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 3gr9 s PRO 139 CO 0.09 -0.45 0.99 -0.80 0.04 0.00 0.00 177.00 176.88 3gr9 s ASN 140 N -3.22 6.38 -0.77 6.66 0.01 -1.26 -4.68 114.94 118.06 3gr9 s ASN 140 Ca 0.59 1.44 -0.27 0.00 -0.71 0.00 0.00 52.86 53.91 3gr9 s ASN 140 Cb -0.11 -2.47 0.03 0.00 0.41 0.00 0.00 41.25 39.11 3gr9 s ASN 140 CO 0.37 -0.74 1.29 0.21 -1.51 0.00 0.00 177.10 176.72 3gr9 s ASN 141 N -3.75 6.19 0.17 -1.22 3.84 -1.26 -4.84 114.94 114.07 3gr9 s ASN 141 Ca 0.56 -0.54 -0.00 0.00 0.21 0.00 0.00 52.86 53.08 3gr9 s ASN 141 Cb -0.11 -2.56 0.04 0.00 -0.55 0.00 0.00 41.25 38.08 3gr9 s ASN 141 CO 0.45 -1.81 1.42 -0.26 -2.79 0.00 0.00 177.10 174.10 3gr9 h PHE 142 N 10.01 0.45 -0.67 0.43 -1.00 -1.97 -3.12 116.94 121.06 3gr9 h PHE 142 Ca -0.24 -0.22 0.14 0.00 2.81 0.00 0.00 57.97 60.47 3gr9 h PHE 142 Cb 1.05 -0.06 -0.11 0.00 3.61 0.00 0.00 35.95 40.43 3gr9 h PHE 142 CO 1.14 0.98 -0.01 -0.44 -1.61 0.00 0.00 178.31 178.38 3gr9 h ASP 143 N 0.21 -0.32 1.77 2.17 3.32 -1.99 0.24 116.42 121.82 3gr9 h ASP 143 Ca -0.04 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3gr9 h ASP 143 Cb 1.37 0.31 0.00 0.00 0.22 0.00 0.00 39.33 41.23 3gr9 h ASP 143 CO 0.13 -0.14 0.00 -0.33 -1.72 0.00 0.00 179.24 177.18 3gr9 h GLU 144 N 0.10 0.00 0.07 3.56 4.39 -1.98 -2.30 114.58 118.43 3gr9 h GLU 144 Ca 0.35 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.79 3gr9 h GLU 144 Cb 0.58 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3gr9 h GLU 144 CO -0.58 0.00 -1.29 0.82 -1.16 0.00 0.00 179.01 176.80 3gr9 h ILE 145 N 0.00 1.41 -0.04 3.13 2.04 -1.02 -2.27 117.51 120.76 3gr9 h ILE 145 Ca 0.00 -3.08 -0.18 0.00 1.00 0.00 0.00 64.86 62.60 3gr9 h ILE 145 Cb 0.89 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.76 3gr9 h ILE 145 CO 0.00 0.86 -0.75 0.78 0.00 0.00 0.00 178.15 179.03 3gr9 h ASN 146 N 0.04 0.32 0.52 1.72 2.35 -0.63 -0.35 115.58 119.55 3gr9 h ASN 146 Ca -0.14 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.37 3gr9 h ASN 146 Cb 1.92 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.20 3gr9 h ASN 146 CO 0.15 0.96 -0.25 0.50 -1.65 0.00 0.00 177.43 177.14 3gr9 h LYS 147 N 0.17 -0.68 -0.97 0.81 1.63 -1.44 0.12 116.57 116.21 3gr9 h LYS 147 Ca -0.03 0.05 0.09 0.00 -0.85 0.00 0.00 60.65 59.90 3gr9 h LYS 147 Cb 1.33 0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 33.04 3gr9 h LYS 147 CO 0.12 -0.45 0.61 0.82 -3.45 0.00 0.00 179.45 177.10 3gr9 h ILE 148 N -0.70 1.01 0.00 2.00 2.04 -1.04 0.70 117.51 121.52 3gr9 h ILE 148 Ca -0.07 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3gr9 h ILE 148 Cb 0.54 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3gr9 h ILE 148 CO 0.11 0.19 -0.25 0.40 0.00 0.00 0.00 178.15 178.61 3gr9 h ILE 149 N 1.06 0.72 0.00 -0.67 2.04 -0.75 -3.47 117.51 116.44 3gr9 h ILE 149 Ca 0.44 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3gr9 h ILE 149 Cb 0.29 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3gr9 h ILE 149 CO -0.21 0.24 0.00 0.61 0.00 0.00 0.00 178.15 178.79 3gr9 n GLY 150 N -0.16 2.53 1.48 5.37 0.00 0.24 -1.60 105.19 113.05 3gr9 n GLY 150 Ca -0.01 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.61 3.79 -0.02 0.00 -1.26 -4.81 105.19 106.50 3gr9 n GLY 151 Ca 0.00 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 3gr9 n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gr9 s ARG 152 N -2.86 3.81 -1.19 1.61 0.52 -0.63 -4.94 118.95 115.28 3gr9 s ARG 152 Ca 0.49 1.44 -0.22 0.00 -0.52 0.00 0.00 55.73 56.93 3gr9 s ARG 152 Cb 0.39 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.64 3gr9 s ARG 152 CO 0.12 -0.43 1.87 0.34 0.02 0.00 0.00 175.30 177.22 3gr9 s ASP 153 N -1.85 5.55 -0.07 0.23 2.15 -1.26 -4.81 116.67 116.61 3gr9 s ASP 153 Ca 0.66 -1.81 -0.01 0.00 0.43 0.00 0.00 52.55 51.82 3gr9 s ASP 153 Cb -0.19 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.87 3gr9 s ASP 153 CO 0.23 -2.52 -0.02 -0.63 -0.17 0.00 0.00 175.17 172.06 3gr9 s ILE 154 N 9.03 0.51 0.13 4.11 1.01 -1.26 -4.87 121.20 129.86 3gr9 s ILE 154 Ca 0.64 0.00 -0.25 0.00 0.00 0.00 0.00 60.65 61.04 3gr9 s ILE 154 Cb 0.00 -0.61 -0.07 0.00 0.01 0.00 0.00 42.46 41.79 3gr9 s ILE 154 CO 0.10 0.27 0.78 -0.63 0.00 0.00 0.00 174.94 175.46 3gr9 s ILE 155 N 1.65 4.46 -0.17 2.92 1.01 -0.64 -4.90 121.20 125.54 3gr9 s ILE 155 Ca 0.01 1.71 -0.03 0.00 0.00 0.00 0.00 60.65 62.34 3gr9 s ILE 155 Cb -0.13 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 3gr9 s ILE 155 CO -0.04 0.47 -0.06 -0.22 0.00 0.00 0.00 174.94 175.09 3gr9 s LEU 156 N -0.82 2.98 0.29 2.97 2.96 -1.26 0.26 118.68 126.06 3gr9 s LEU 156 Ca 0.37 -0.27 0.10 0.00 -0.22 0.00 0.00 54.13 54.11 3gr9 s LEU 156 Cb -0.22 -1.72 -0.06 0.00 0.50 0.00 0.00 46.19 44.69 3gr9 s LEU 156 CO 0.26 0.10 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.49 3gr9 s LEU 157 N 0.73 2.61 -0.03 -0.68 1.43 0.33 -0.59 118.68 122.49 3gr9 s LEU 157 Ca -0.03 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3gr9 s LEU 157 Cb -0.15 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.15 3gr9 s LEU 157 CO 0.02 -0.12 -0.02 -1.61 0.23 0.00 0.00 176.35 174.84 3gr9 s GLU 158 N -3.59 0.48 -0.44 1.70 2.02 -1.11 -1.35 118.70 116.41 3gr9 s GLU 158 Ca 0.30 -0.03 -0.10 0.00 0.02 0.00 0.00 54.97 55.15 3gr9 s GLU 158 Cb -0.01 -0.57 0.09 0.00 0.10 0.00 0.00 34.13 33.75 3gr9 s GLU 158 CO 0.14 -0.07 0.31 0.34 0.02 0.00 0.00 175.26 176.00 3gr9 s ASP 159 N 0.75 5.74 -0.40 -0.19 -1.08 -0.60 -1.43 116.67 119.47 3gr9 s ASP 159 Ca -0.08 -1.60 0.06 0.00 -0.52 0.00 0.00 52.55 50.40 3gr9 s ASP 159 Cb -0.12 -2.03 0.62 0.00 -1.46 0.00 0.00 42.92 39.94 3gr9 s ASP 159 CO -0.01 -0.61 1.78 -3.20 0.52 0.00 0.00 175.17 173.65 3gr9 n ASN 160 N 4.96 3.37 0.27 -0.34 5.15 0.34 -3.05 115.26 125.97 3gr9 n ASN 160 Ca -0.10 -3.66 0.14 0.00 -0.60 0.00 0.00 54.58 50.36 3gr9 n ASN 160 Cb 0.42 -0.77 0.78 0.00 -0.53 0.00 0.00 39.78 39.68 3gr9 n ASN 160 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gr9 n GLU 162 N -3.55 1.03 -2.74 0.00 1.02 -1.26 -4.32 120.64 110.82 3gr9 n GLU 162 Ca -0.02 -1.33 -0.03 0.00 -0.02 0.00 0.00 57.16 55.76 3gr9 n GLU 162 Cb 0.22 -1.21 0.05 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.53 1.96 -4.72 1.62 7.64 -1.15 -1.36 113.62 118.14 3gr9 n SER 163 Ca 0.07 -2.26 -0.42 0.00 1.01 0.00 0.00 58.87 57.27 3gr9 n SER 163 Cb 0.29 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 3gr9 n SER 163 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3gr9 s MET 164 N -3.75 4.37 0.00 1.43 0.00 -1.22 -2.75 119.30 117.38 3gr9 s MET 164 Ca 0.30 1.98 0.00 0.00 0.00 0.00 0.00 55.69 57.97 3gr9 s MET 164 Cb 0.34 -3.27 0.00 0.00 0.00 0.00 0.00 34.83 31.90 3gr9 s MET 164 CO -0.03 -0.35 0.00 0.41 0.00 0.00 0.00 175.02 175.05 3gr9 n GLY 165 N 3.26 0.75 3.86 2.11 0.00 -1.26 -4.87 105.19 109.03 3gr9 n GLY 165 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3gr9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gr9 s ALA 166 N -2.30 2.74 0.03 4.61 0.00 -1.11 -4.81 121.76 120.92 3gr9 s ALA 166 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.73 3gr9 s ALA 166 Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3gr9 s ALA 166 CO 0.00 -1.24 -0.05 0.95 0.00 0.00 0.00 175.76 175.42 3gr9 s THR 167 N -3.26 0.27 -0.04 0.00 -4.23 -0.92 -2.62 115.64 104.84 3gr9 s THR 167 Ca 0.58 -1.07 -0.00 0.00 -1.18 0.00 0.00 61.69 60.02 3gr9 s THR 167 Cb -0.12 -0.51 0.03 0.00 1.34 0.00 0.00 72.50 73.23 3gr9 s THR 167 CO 0.53 -0.52 0.00 0.12 -0.54 0.00 0.00 174.62 174.22 3gr9 s PHE 168 N -1.71 0.39 -2.04 3.99 5.36 -0.03 0.24 117.98 124.19 3gr9 s PHE 168 Ca -0.11 -0.02 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 3gr9 s PHE 168 Cb -0.08 -0.51 0.00 0.00 -0.34 0.00 0.00 43.02 42.09 3gr9 s PHE 168 CO -0.01 -0.18 0.00 0.09 -1.46 0.00 0.00 175.22 173.66 3gr9 n ASN 169 N 4.44 -5.50 0.00 6.13 4.13 -1.26 -1.12 115.26 122.08 3gr9 n ASN 169 Ca -0.20 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.44 3gr9 n ASN 169 Cb 0.50 -4.71 0.00 0.00 -1.54 0.00 0.00 39.78 34.03 3gr9 n ASN 169 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3gr9 n ASN 170 N -1.38 0.00 -4.89 6.41 3.02 -1.26 -5.00 115.26 112.16 3gr9 n ASN 170 Ca -0.21 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.05 3gr9 n ASN 170 Cb 0.67 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 3gr9 n ASN 170 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3gr9 s LYS 171 N -0.08 3.70 -0.10 3.52 2.20 -0.28 -5.03 119.74 123.67 3gr9 s LYS 171 Ca 0.00 0.22 -0.25 0.00 -0.36 0.00 0.00 55.97 55.57 3gr9 s LYS 171 Cb 0.00 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 3gr9 s LYS 171 CO 0.00 0.11 0.80 0.00 -0.36 0.00 0.00 175.35 175.91 3gr9 n ALA 173 N 4.47 2.52 0.00 0.00 0.00 -1.08 -1.03 120.51 125.39 3gr9 n ALA 173 Ca 0.02 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3gr9 n ALA 173 Cb 0.50 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 1.27 2.84 0.74 0.00 0.00 -1.26 -4.79 105.19 103.99 3gr9 n GLY 174 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.97 1.19 -0.01 2.61 -2.24 -0.20 -3.59 114.28 111.07 3gr9 n THR 175 Ca 0.00 -1.12 -0.17 0.00 -2.27 0.00 0.00 64.05 60.48 3gr9 n THR 175 Cb 0.00 0.39 -0.14 0.00 -2.10 0.00 0.00 70.33 68.48 3gr9 n THR 175 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3gr9 n PHE 176 N 0.46 1.10 -1.80 4.78 3.01 -1.26 -4.96 117.46 118.79 3gr9 n PHE 176 Ca 0.14 0.27 -0.29 0.00 1.01 0.00 0.00 57.45 58.58 3gr9 n PHE 176 Cb 0.51 -1.16 0.13 0.00 -0.01 0.00 0.00 39.48 38.96 3gr9 n PHE 176 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3gr9 s GLY 177 N -5.51 1.64 0.45 1.37 0.00 -1.26 -4.95 107.32 99.06 3gr9 s GLY 177 Ca -0.18 -0.79 0.10 0.00 0.00 0.00 0.00 44.72 43.85 3gr9 s GLY 177 CO 0.78 -0.19 2.09 -2.00 0.00 0.00 0.00 173.10 173.77 3gr9 h LEU 178 N -1.38 0.31 -8.02 0.66 5.85 -1.23 -3.44 115.31 108.06 3gr9 h LEU 178 Ca -0.46 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.14 3gr9 h LEU 178 Cb 1.30 -0.08 -0.14 0.00 0.37 0.00 0.00 40.66 42.11 3gr9 h LEU 178 CO 0.56 0.23 -0.49 -0.32 -0.34 0.00 0.00 178.44 178.08 3gr9 s MET 179 N -5.33 0.79 -0.03 1.25 1.75 -1.26 -4.20 119.30 112.27 3gr9 s MET 179 Ca -0.07 -1.10 -0.08 0.00 -1.25 0.00 0.00 55.69 53.19 3gr9 s MET 179 Cb 0.17 0.29 0.01 0.00 2.84 0.00 0.00 34.83 38.14 3gr9 s MET 179 CO 0.71 -0.22 0.18 0.20 -0.65 0.00 0.00 175.02 175.24 3gr9 s GLY 180 N -2.90 -0.05 -0.06 2.11 0.00 -1.01 -2.73 107.32 102.68 3gr9 s GLY 180 Ca 0.08 0.16 0.06 0.00 0.00 0.00 0.00 44.72 45.02 3gr9 s GLY 180 CO -0.09 0.03 -0.24 -0.51 0.00 0.00 0.00 173.10 172.29 3gr9 s THR 181 N -0.89 1.97 0.16 0.90 -4.23 -0.51 -1.83 115.64 111.21 3gr9 s THR 181 Ca -0.10 -1.02 0.11 0.00 -1.18 0.00 0.00 61.69 59.50 3gr9 s THR 181 Cb -0.05 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 3gr9 s THR 181 CO 0.02 0.55 -0.24 -0.36 -0.54 0.00 0.00 174.62 174.04 3gr9 s PHE 182 N -0.11 2.22 -0.03 3.99 0.40 -0.90 0.13 117.98 123.68 3gr9 s PHE 182 Ca -0.05 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 3gr9 s PHE 182 Cb -0.14 -1.15 -0.01 0.00 0.51 0.00 0.00 43.02 42.24 3gr9 s PHE 182 CO 0.04 0.40 -0.16 0.45 0.70 0.00 0.00 175.22 176.65 3gr9 s SER 183 N -2.38 1.99 -0.36 1.36 0.15 -1.26 -2.23 113.70 110.97 3gr9 s SER 183 Ca 0.17 -0.32 0.07 0.00 0.70 0.00 0.00 55.95 56.56 3gr9 s SER 183 Cb -0.09 -0.42 0.44 0.00 -1.71 0.00 0.00 66.02 64.25 3gr9 s SER 183 CO 0.08 0.17 1.15 -1.54 1.20 0.00 0.00 173.24 174.29 3gr9 n SER 184 N 2.97 4.73 -4.87 5.45 3.41 -0.53 -4.56 113.62 120.20 3gr9 n SER 184 Ca -0.17 -3.69 -0.30 0.00 -0.26 0.00 0.00 58.87 54.45 3gr9 n SER 184 Cb 0.54 -0.40 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 -3.57 3.58 0.08 7.33 5.36 -1.26 -0.64 117.98 128.87 3gr9 s PHE 185 Ca 0.49 1.20 -0.15 0.00 -0.96 0.00 0.00 56.93 57.50 3gr9 s PHE 185 Cb 0.40 -2.63 -0.03 0.00 -0.34 0.00 0.00 43.02 40.42 3gr9 s PHE 185 CO -0.06 -0.53 0.84 0.98 -1.46 0.00 0.00 175.22 174.99 3gr9 n TYR 186 N -2.41 -0.22 -0.78 10.12 9.36 -1.15 -4.48 117.16 127.60 3gr9 n TYR 186 Ca 0.05 0.62 -0.08 0.00 3.32 0.00 0.00 57.90 61.81 3gr9 n TYR 186 Cb 0.54 -0.51 -0.04 0.00 -0.63 0.00 0.00 39.34 38.70 3gr9 n TYR 186 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3gr9 n ASN 187 N -4.43 5.62 0.03 2.98 0.23 -1.26 -4.69 115.26 113.74 3gr9 n ASN 187 Ca 0.01 -2.61 -0.12 0.00 -0.53 0.00 0.00 54.58 51.32 3gr9 n ASN 187 Cb 0.13 -1.20 -0.09 0.00 -2.08 0.00 0.00 39.78 36.54 3gr9 n ASN 187 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 3gr9 h HIS 189 N 1.76 -0.12 -1.83 -2.53 3.86 -1.84 -3.47 115.15 110.99 3gr9 h HIS 189 Ca 0.13 -0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.74 3gr9 h HIS 189 Cb 1.09 0.04 -0.12 0.00 1.06 0.00 0.00 27.41 29.49 3gr9 h HIS 189 CO 0.83 0.34 -0.61 0.96 0.86 0.00 0.00 177.93 180.31 3gr9 s ILE 190 N -4.02 2.37 -0.07 2.45 -4.36 -1.26 -5.01 121.20 111.30 3gr9 s ILE 190 Ca -0.15 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.22 3gr9 s ILE 190 Cb 0.01 -2.83 0.04 0.00 1.25 0.00 0.00 42.46 40.93 3gr9 s ILE 190 CO 0.60 -0.13 0.11 0.00 0.24 0.00 0.00 174.94 175.76 3gr9 s ALA 191 N -2.59 0.04 -0.30 2.27 0.00 -1.26 -4.07 121.76 115.85 3gr9 s ALA 191 Ca 0.35 0.35 0.08 0.00 0.00 0.00 0.00 51.96 52.74 3gr9 s ALA 191 Cb 0.03 -0.74 0.46 0.00 0.00 0.00 0.00 23.12 22.87 3gr9 s ALA 191 CO 0.19 -0.56 1.34 0.25 0.00 0.00 0.00 175.76 176.98 3gr9 n THR 192 N 5.31 2.55 0.00 0.00 -2.24 0.19 -4.84 114.28 115.25 3gr9 n THR 192 Ca -0.04 -3.50 0.00 0.00 -2.27 0.00 0.00 64.05 58.24 3gr9 n THR 192 Cb 0.50 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 3gr9 n THR 192 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3gr9 n MET 193 N -0.94 0.00 -4.13 -0.78 2.81 -1.26 -4.65 117.12 108.18 3gr9 n MET 193 Ca 0.36 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 56.15 3gr9 n MET 193 Cb 0.89 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 33.31 3gr9 n MET 193 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gr9 s GLU 194 N 0.00 1.09 0.00 0.03 0.41 -1.26 -2.91 118.70 116.06 3gr9 s GLU 194 Ca 0.00 -1.45 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 3gr9 s GLU 194 Cb 0.00 0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.64 3gr9 s GLU 194 CO 0.00 -0.35 0.00 0.41 -0.49 0.00 0.00 175.26 174.83 3gr9 n GLY 195 N -0.19 4.33 3.78 -1.39 0.00 -0.21 -4.83 105.19 106.68 3gr9 n GLY 195 Ca -0.03 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 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 0.39 0.10 -0.02 0.00 0.13 -1.46 107.32 106.46 3gr9 s GLY 196 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 44.72 43.89 3gr9 s GLY 196 CO 0.00 -0.35 0.20 0.00 0.00 0.00 0.00 173.10 172.95 3gr9 s ILE 198 N -3.87 1.47 0.16 0.00 1.01 0.28 -2.12 121.20 118.13 3gr9 s ILE 198 Ca 0.06 -0.74 0.11 0.00 0.00 0.00 0.00 60.65 60.08 3gr9 s ILE 198 Cb 0.05 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 3gr9 s ILE 198 CO -0.10 0.42 -0.24 0.68 0.00 0.00 0.00 174.94 175.69 3gr9 s VAL 199 N -0.01 2.24 0.15 2.92 -7.23 -0.76 -1.18 120.40 116.53 3gr9 s VAL 199 Ca -0.03 -1.90 -0.25 0.00 -1.81 0.00 0.00 61.98 58.00 3gr9 s VAL 199 Cb -0.11 -2.03 0.06 0.00 0.56 0.00 0.00 36.38 34.87 3gr9 s VAL 199 CO 0.02 -0.06 0.83 0.28 -0.31 0.00 0.00 175.10 175.86 3gr9 s THR 200 N -1.45 0.00 -1.01 5.32 -1.32 -0.59 -2.40 115.64 114.19 3gr9 s THR 200 Ca 0.17 -0.47 0.09 0.00 -1.21 0.00 0.00 61.69 60.26 3gr9 s THR 200 Cb -0.09 -1.60 0.10 0.00 -1.51 0.00 0.00 72.50 69.41 3gr9 s THR 200 CO 0.08 0.00 0.86 0.47 -2.21 0.00 0.00 174.62 173.81 3gr9 n ASP 201 N -0.40 1.91 -4.63 8.08 8.00 -1.26 -0.38 116.55 127.88 3gr9 n ASP 201 Ca -0.08 -1.48 -0.39 0.00 0.71 0.00 0.00 54.79 53.55 3gr9 n ASP 201 Cb 0.61 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.59 3gr9 n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gr9 s ASP 202 N -0.77 6.30 0.04 -2.24 2.15 -1.26 -4.89 116.67 116.00 3gr9 s ASP 202 Ca 0.12 0.35 -0.20 0.00 0.43 0.00 0.00 52.55 53.24 3gr9 s ASP 202 Cb 0.08 -2.21 -0.14 0.00 -0.30 0.00 0.00 42.92 40.35 3gr9 s ASP 202 CO 0.11 -0.13 1.37 -0.08 -0.17 0.00 0.00 175.17 176.27 3gr9 h GLU 203 N 7.86 0.36 -0.76 4.34 4.81 -1.98 0.13 114.58 129.34 3gr9 h GLU 203 Ca -0.33 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 3gr9 h GLU 203 Cb 1.16 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 3gr9 h GLU 203 CO 0.67 0.71 0.30 1.49 -0.73 0.00 0.00 179.01 181.45 3gr9 h GLU 204 N 0.01 1.14 -0.57 1.92 4.81 -1.95 0.24 114.58 120.18 3gr9 h GLU 204 Ca 0.03 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3gr9 h GLU 204 Cb 0.63 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3gr9 h GLU 204 CO 0.03 0.92 0.36 0.82 -0.73 0.00 0.00 179.01 180.41 3gr9 h ILE 205 N 1.11 1.16 0.28 2.32 2.04 -1.96 0.22 117.51 122.68 3gr9 h ILE 205 Ca 0.25 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3gr9 h ILE 205 Cb 0.21 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3gr9 h ILE 205 CO -0.02 0.16 -0.52 0.22 0.00 0.00 0.00 178.15 177.99 3gr9 h TYR 206 N 0.77 -1.48 -0.42 1.37 3.20 0.09 -1.28 116.97 119.22 3gr9 h TYR 206 Ca 0.21 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.18 3gr9 h TYR 206 Cb -0.05 0.61 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 3gr9 h TYR 206 CO -0.03 -0.63 0.03 0.45 -1.64 0.00 0.00 178.16 176.34 3gr9 h HIS 207 N -0.86 0.02 -0.94 -3.82 3.86 -0.03 -0.97 115.15 112.42 3gr9 h HIS 207 Ca -0.03 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 3gr9 h HIS 207 Cb 0.81 0.05 -0.07 0.00 1.06 0.00 0.00 27.41 29.26 3gr9 h HIS 207 CO -0.38 -0.06 0.61 0.82 0.86 0.00 0.00 177.93 179.78 3gr9 h ILE 208 N 0.14 0.99 -0.40 2.45 2.04 -0.35 -0.81 117.51 121.57 3gr9 h ILE 208 Ca 0.20 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 3gr9 h ILE 208 Cb 0.28 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 3gr9 h ILE 208 CO -0.32 0.18 -0.08 -0.07 0.00 0.00 0.00 178.15 177.86 3gr9 h LEU 209 N 0.98 0.76 -1.96 1.44 3.38 -0.02 0.15 115.31 120.04 3gr9 h LEU 209 Ca 0.43 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3gr9 h LEU 209 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3gr9 h LEU 209 CO -0.19 0.94 0.11 -0.07 0.09 0.00 0.00 178.44 179.32 3gr9 h LEU 210 N 0.57 0.05 0.17 1.67 3.38 -0.37 -1.46 115.31 119.31 3gr9 h LEU 210 Ca 0.10 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 3gr9 h LEU 210 Cb 0.60 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.36 3gr9 h LEU 210 CO 0.04 0.03 -1.11 0.00 0.09 0.00 0.00 178.44 177.49 3gr9 h ILE 212 N -0.22 0.34 -0.23 0.00 3.07 -0.58 -1.50 117.51 118.39 3gr9 h ILE 212 Ca -0.20 -0.97 -0.06 0.00 1.55 0.00 0.00 64.86 65.17 3gr9 h ILE 212 Cb 1.81 1.74 -0.01 0.00 -0.27 0.00 0.00 36.82 40.09 3gr9 h ILE 212 CO 0.17 0.14 -0.12 -0.09 -1.05 0.00 0.00 178.15 177.20 3gr9 h ARG 213 N 0.00 0.38 -2.89 0.16 2.43 -1.40 0.92 114.38 113.98 3gr9 h ARG 213 Ca -0.00 -0.10 -0.61 0.00 -0.81 0.00 0.00 59.98 58.46 3gr9 h ARG 213 Cb 0.73 -0.05 -0.40 0.00 -0.42 0.00 0.00 29.97 29.83 3gr9 h ARG 213 CO 0.02 0.51 -0.72 0.00 -1.51 0.00 0.00 179.97 178.26 3gr9 s ALA 214 N -4.74 2.74 -1.89 2.80 0.00 -1.14 0.78 121.76 120.32 3gr9 s ALA 214 Ca -0.06 -3.14 0.00 0.00 0.00 0.00 0.00 51.96 48.76 3gr9 s ALA 214 Cb 0.15 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3gr9 s ALA 214 CO 0.76 -2.05 0.00 0.72 0.00 0.00 0.00 175.76 175.18 3gr9 n HIS 215 N 2.64 -0.04 -2.42 0.00 8.25 0.42 -2.19 115.22 121.88 3gr9 n HIS 215 Ca 0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.56 3gr9 n HIS 215 Cb 0.38 -3.23 -0.01 0.00 1.12 0.00 0.00 29.99 28.26 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 -0.22 -0.46 2.22 -1.41 0.00 -0.58 -4.70 105.19 100.04 3gr9 n GLY 216 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.14 -3.27 0.70 1.61 2.14 -0.93 -1.31 117.44 113.23 3gr9 n TRP 217 Ca -0.11 -0.95 0.07 0.00 2.07 0.00 0.00 57.50 58.58 3gr9 n TRP 217 Cb 0.58 -0.45 -0.08 0.00 -0.81 0.00 0.00 31.31 30.55 3gr9 n TRP 217 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3gr9 n THR 218 N -2.36 0.00 -0.31 -1.67 -2.24 -1.25 -4.70 114.28 101.75 3gr9 n THR 218 Ca 0.09 -0.15 0.15 0.00 -2.27 0.00 0.00 64.05 61.87 3gr9 n THR 218 Cb 0.34 1.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.00 0.14 -0.16 -0.78 3.08 -1.90 0.26 114.38 115.02 3gr9 h ARG 219 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3gr9 h ARG 219 Cb 0.35 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3gr9 h ARG 219 CO 0.00 0.09 0.00 0.09 -1.07 0.00 0.00 179.97 179.08 3gr9 n ASN 220 N -5.29 1.22 -4.83 7.04 4.13 -1.26 -4.86 115.26 111.41 3gr9 n ASN 220 Ca 0.23 -1.74 -0.38 0.00 1.68 0.00 0.00 54.58 54.38 3gr9 n ASN 220 Cb 0.74 -0.10 -0.06 0.00 -1.54 0.00 0.00 39.78 38.82 3gr9 n ASN 220 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3gr9 s LEU 221 N -1.40 4.44 0.83 3.41 1.02 0.92 -4.99 118.68 122.91 3gr9 s LEU 221 Ca 0.27 0.87 -0.11 0.00 0.02 0.00 0.00 54.13 55.18 3gr9 s LEU 221 Cb 0.14 -2.52 0.09 0.00 0.02 0.00 0.00 46.19 43.92 3gr9 s LEU 221 CO 0.21 0.30 1.10 -2.84 0.02 0.00 0.00 176.35 175.14 3gr9 s PRO 222 N -0.87 1.75 0.08 1.29 0.01 -1.26 -4.96 135.00 131.04 3gr9 s PRO 222 Ca 0.22 1.15 -0.24 0.00 0.01 0.00 0.00 61.00 62.14 3gr9 s PRO 222 Cb -0.16 -1.84 -0.10 0.00 0.01 0.00 0.00 34.50 32.41 3gr9 s PRO 222 CO 0.11 -1.99 1.39 -0.22 0.01 0.00 0.00 177.00 176.30 3gr9 h LYS 223 N -1.38 -0.46 -5.25 5.54 3.64 -1.96 -3.29 116.57 113.40 3gr9 h LYS 223 Ca -0.45 0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.32 3gr9 h LYS 223 Cb 1.25 0.11 -0.15 0.00 -0.41 0.00 0.00 32.23 33.03 3gr9 h LYS 223 CO 0.50 -0.31 -0.05 0.21 -2.27 0.00 0.00 179.45 177.54 3gr9 s LYS 224 N -4.93 3.69 0.19 1.90 2.20 -1.26 -1.88 119.74 119.65 3gr9 s LYS 224 Ca -0.11 -0.09 0.02 0.00 -0.36 0.00 0.00 55.97 55.43 3gr9 s LYS 224 Cb 0.05 -3.79 -0.05 0.00 -1.51 0.00 0.00 37.83 32.53 3gr9 s LYS 224 CO 0.43 -0.60 -0.01 0.54 -0.36 0.00 0.00 175.35 175.35 3gr9 s ASN 225 N 1.73 1.43 0.46 1.43 2.20 0.20 -5.00 114.94 117.39 3gr9 s ASN 225 Ca 0.19 -1.17 0.26 0.00 -0.94 0.00 0.00 52.86 51.20 3gr9 s ASN 225 Cb -0.15 0.08 0.92 0.00 -2.00 0.00 0.00 41.25 40.09 3gr9 s ASN 225 CO 0.13 -0.53 1.82 0.11 -2.94 0.00 0.00 177.10 175.68 3gr9 h LYS 226 N 2.64 0.00 0.00 3.55 6.56 -1.89 -0.55 116.57 126.89 3gr9 h LYS 226 Ca -0.37 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.01 3gr9 h LYS 226 Cb 1.21 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.84 3gr9 h LYS 226 CO 0.63 0.17 -1.15 0.28 -2.06 0.00 0.00 179.45 177.32 3gr9 h VAL 227 N 0.00 0.98 -0.00 0.50 2.07 -1.92 -3.41 116.25 114.46 3gr9 h VAL 227 Ca -0.00 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.33 3gr9 h VAL 227 Cb 0.76 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3gr9 h VAL 227 CO 0.02 0.33 -0.86 0.35 0.02 0.00 0.00 177.57 177.43 3gr9 n THR 228 N -4.45 0.00 0.00 2.57 -2.24 -1.26 -5.04 114.28 103.87 3gr9 n THR 228 Ca -0.30 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3gr9 n THR 228 Cb 0.66 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 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 1.43 2.32 2.66 3.38 0.00 -0.21 -4.78 105.19 109.99 3gr9 n GLY 229 Ca 0.03 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 3gr9 n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gr9 s VAL 230 N 0.00 -0.18 0.75 1.61 1.01 -1.26 -0.62 120.40 121.70 3gr9 s VAL 230 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 3gr9 s VAL 230 Cb 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 36.38 35.78 3gr9 s VAL 230 CO 0.00 -0.29 1.18 -0.54 0.00 0.00 0.00 175.10 175.45 3gr9 s LYS 231 N 2.21 2.10 0.50 2.72 1.02 -0.79 -5.03 119.74 122.48 3gr9 s LYS 231 Ca 0.04 1.63 0.06 0.00 0.02 0.00 0.00 55.97 57.73 3gr9 s LYS 231 Cb -0.16 -1.84 0.04 0.00 -0.52 0.00 0.00 37.83 35.35 3gr9 s LYS 231 CO -0.12 -1.84 0.69 0.45 -0.92 0.00 0.00 175.35 173.61 3gr9 s SER 232 N -2.29 5.37 0.09 2.83 0.15 -1.26 -5.00 113.70 113.59 3gr9 s SER 232 Ca 0.71 -0.41 0.15 0.00 0.70 0.00 0.00 55.95 57.11 3gr9 s SER 232 Cb -0.26 -0.48 -0.11 0.00 -1.71 0.00 0.00 66.02 63.46 3gr9 s SER 232 CO 0.47 -1.04 0.95 0.44 1.20 0.00 0.00 173.24 175.26 3gr9 h ASP 233 N 0.34 0.00 -1.56 5.45 5.19 -2.03 -3.44 116.42 120.36 3gr9 h ASP 233 Ca -0.38 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.52 3gr9 h ASP 233 Cb 1.28 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.72 3gr9 h ASP 233 CO 0.45 0.64 1.20 -0.62 -3.12 0.00 0.00 179.24 177.79 3gr9 s ASP 234 N -6.00 5.93 0.51 6.45 2.15 -1.26 -4.78 116.67 119.67 3gr9 s ASP 234 Ca -0.02 -0.70 0.25 0.00 0.43 0.00 0.00 52.55 52.52 3gr9 s ASP 234 Cb 0.08 -2.56 1.37 0.00 -0.30 0.00 0.00 42.92 41.52 3gr9 s ASP 234 CO 0.80 -1.99 2.06 1.56 -0.17 0.00 0.00 175.17 177.43 3gr9 h GLN 235 N 11.03 0.00 -0.78 4.34 1.08 -1.96 0.26 115.11 129.08 3gr9 h GLN 235 Ca -0.04 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.34 3gr9 h GLN 235 Cb 1.05 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.35 3gr9 h GLN 235 CO 1.31 0.13 0.10 0.35 -0.95 0.00 0.00 178.83 179.77 3gr9 h PHE 236 N 0.00 0.12 0.00 2.96 3.57 -1.99 -2.02 116.94 119.58 3gr9 h PHE 236 Ca -0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3gr9 h PHE 236 Cb 0.34 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3gr9 h PHE 236 CO 0.00 -0.20 0.00 -1.91 -2.23 0.00 0.00 178.31 173.97 3gr9 n GLU 237 N -5.27 0.00 -0.30 1.11 4.07 -0.45 -4.32 120.64 115.48 3gr9 n GLU 237 Ca 0.15 0.26 -0.01 0.00 -0.06 0.00 0.00 57.16 57.50 3gr9 n GLU 237 Cb 0.52 -0.73 0.03 0.00 -0.06 0.00 0.00 31.44 31.20 3gr9 n GLU 237 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3gr9 n GLU 238 N -2.00 -0.19 0.00 5.31 4.07 0.77 0.80 120.64 129.41 3gr9 n GLU 238 Ca 0.00 1.19 0.01 0.00 -0.06 0.00 0.00 57.16 58.30 3gr9 n GLU 238 Cb 0.00 -1.77 0.04 0.00 -0.06 0.00 0.00 31.44 29.65 3gr9 n GLU 238 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3gr9 n SER 239 N -5.13 0.00 -0.56 4.31 7.64 -0.76 -2.14 113.62 116.97 3gr9 n SER 239 Ca 0.08 0.38 0.06 0.00 1.01 0.00 0.00 58.87 60.40 3gr9 n SER 239 Cb 0.31 -0.39 0.14 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.39 0.00 -3.90 1.43 3.72 0.24 -4.90 117.46 112.65 3gr9 n PHE 240 Ca 0.01 -1.04 -0.32 0.00 -0.05 0.00 0.00 57.45 56.04 3gr9 n PHE 240 Cb 0.02 -0.18 -0.04 0.00 -0.94 0.00 0.00 39.48 38.33 3gr9 n PHE 240 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3gr9 s LYS 241 N -2.32 3.45 -0.05 -1.08 2.20 -0.91 -5.06 119.74 115.97 3gr9 s LYS 241 Ca 0.32 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.55 3gr9 s LYS 241 Cb 0.31 -3.05 0.02 0.00 -1.51 0.00 0.00 37.83 33.60 3gr9 s LYS 241 CO -0.05 0.62 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.45 3gr9 s PHE 242 N -1.46 0.83 0.00 4.03 0.08 -1.26 -3.85 117.98 116.34 3gr9 s PHE 242 Ca 0.33 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.14 3gr9 s PHE 242 Cb -0.13 -0.71 0.00 0.00 -0.57 0.00 0.00 43.02 41.61 3gr9 s PHE 242 CO 0.25 -0.20 0.00 1.33 -0.10 0.00 0.00 175.22 176.50 3gr9 n VAL 243 N 4.04 0.00 -3.90 -0.44 0.24 -0.43 -5.00 118.33 112.84 3gr9 n VAL 243 Ca -0.24 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 61.64 3gr9 n VAL 243 Cb 0.51 0.87 -0.11 0.00 -1.47 0.00 0.00 33.84 33.63 3gr9 n VAL 243 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gr9 s LEU 244 N -1.75 1.82 -1.20 1.34 2.01 -1.20 -5.04 118.68 114.66 3gr9 s LEU 244 Ca 0.00 -0.19 -0.20 0.00 0.01 0.00 0.00 54.13 53.76 3gr9 s LEU 244 Cb 0.00 0.36 -0.02 0.00 0.01 0.00 0.00 46.19 46.54 3gr9 s LEU 244 CO 0.00 -0.24 1.91 -0.81 1.01 0.00 0.00 176.35 178.22 3gr9 n PRO 245 N 1.99 2.35 0.00 1.29 -0.05 -1.26 -4.16 135.00 135.15 3gr9 n PRO 245 Ca -0.20 -2.68 0.00 0.00 -0.05 0.00 0.00 63.50 60.58 3gr9 n PRO 245 Cb 0.57 -3.45 0.00 0.00 -0.05 0.00 0.00 33.50 30.57 3gr9 n PRO 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3gr9 n GLY 246 N 5.18 1.34 1.10 0.55 0.00 -1.26 -4.98 105.19 107.12 3gr9 n GLY 246 Ca 0.48 -1.74 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.46 -3.97 1.61 4.02 0.32 -4.78 117.16 113.90 3gr9 n TYR 247 Ca 0.00 -0.89 -0.32 0.00 -0.01 0.00 0.00 57.90 56.68 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 -1.77 4.84 -0.10 7.72 3.84 -1.25 0.16 114.94 128.39 3gr9 s ASN 248 Ca 0.12 -2.17 0.18 0.00 0.21 0.00 0.00 52.86 51.21 3gr9 s ASN 248 Cb 0.00 -1.67 0.42 0.00 -0.55 0.00 0.00 41.25 39.45 3gr9 s ASN 248 CO 0.09 -0.40 1.19 1.33 -2.79 0.00 0.00 177.10 176.51 3gr9 n VAL 249 N 4.27 1.08 -1.70 -5.21 0.24 0.23 -5.00 118.33 112.25 3gr9 n VAL 249 Ca 0.03 -2.08 -0.44 0.00 -2.04 0.00 0.00 64.34 59.81 3gr9 n VAL 249 Cb 0.42 0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 33.13 3gr9 n VAL 249 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3gr9 n ARG 250 N -0.31 2.52 -1.23 7.34 1.74 -1.24 -1.16 116.66 124.32 3gr9 n ARG 250 Ca 0.12 0.91 -0.29 0.00 -0.77 0.00 0.00 57.85 57.82 3gr9 n ARG 250 Cb 0.92 -2.72 0.20 0.00 -1.02 0.00 0.00 32.46 29.84 3gr9 n ARG 250 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gr9 s PRO 251 N 0.94 -0.30 -0.04 5.56 0.04 -1.26 -4.39 135.00 135.54 3gr9 s PRO 251 Ca 0.76 0.13 -0.04 0.00 0.04 0.00 0.00 61.00 61.88 3gr9 s PRO 251 Cb -0.57 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3gr9 s PRO 251 CO 0.36 -3.13 0.17 -0.51 0.04 0.00 0.00 177.00 173.92 3gr9 s LEU 252 N -6.61 4.37 0.22 -3.56 1.02 -1.26 -4.07 118.68 108.79 3gr9 s LEU 252 Ca 0.69 0.38 -0.09 0.00 0.02 0.00 0.00 54.13 55.12 3gr9 s LEU 252 Cb -0.13 -2.44 0.32 0.00 0.02 0.00 0.00 46.19 43.96 3gr9 s LEU 252 CO 0.56 0.31 1.69 -0.08 0.02 0.00 0.00 176.35 178.85 3gr9 h GLU 253 N 4.18 0.22 -0.76 1.70 4.57 -1.70 0.31 114.58 123.10 3gr9 h GLU 253 Ca -0.51 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 57.75 3gr9 h GLU 253 Cb 1.20 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.69 3gr9 h GLU 253 CO 0.66 0.15 0.50 1.98 -1.18 0.00 0.00 179.01 181.11 3gr9 h MET 254 N 0.23 0.68 0.00 1.92 4.05 -1.88 0.35 114.93 120.28 3gr9 h MET 254 Ca 0.33 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.70 3gr9 h MET 254 Cb 0.52 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.17 3gr9 h MET 254 CO -0.45 0.45 -0.04 0.77 0.23 0.00 0.00 176.91 177.87 3gr9 h SER 255 N 0.70 0.00 0.00 1.39 0.02 -0.72 -2.14 113.55 112.80 3gr9 h SER 255 Ca 0.35 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3gr9 h SER 255 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3gr9 h SER 255 CO -0.13 0.04 -0.00 1.23 -1.14 0.00 0.00 176.83 176.83 3gr9 h GLY 256 N 3.34 -0.00 0.79 -3.77 0.00 0.89 -2.80 103.07 101.51 3gr9 h GLY 256 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 3gr9 h GLY 256 CO 0.01 -0.00 0.63 0.00 0.00 0.00 0.00 176.54 177.18 3gr9 h ALA 257 N 0.23 1.34 -0.28 3.60 0.00 -0.89 -1.85 119.26 121.41 3gr9 h ALA 257 Ca -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3gr9 h ALA 257 Cb 0.74 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3gr9 h ALA 257 CO 0.00 0.46 -0.18 0.82 0.00 0.00 0.00 179.25 180.35 3gr9 h ILE 258 N 1.18 1.25 -0.31 0.00 2.04 -1.44 -3.14 117.51 117.08 3gr9 h ILE 258 Ca 0.41 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 3gr9 h ILE 258 Cb 0.10 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3gr9 h ILE 258 CO -0.15 0.37 0.17 1.23 0.00 0.00 0.00 178.15 179.76 3gr9 h GLY 259 N 0.97 0.47 0.34 5.37 0.00 -1.06 -1.68 103.07 107.47 3gr9 h GLY 259 Ca 0.08 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.27 3gr9 h GLY 259 CO 0.04 0.20 0.00 -2.22 0.00 0.00 0.00 176.54 174.56 3gr9 h ILE 260 N 0.38 0.69 0.10 2.60 2.04 -1.47 0.61 117.51 122.47 3gr9 h ILE 260 Ca 0.11 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3gr9 h ILE 260 Cb 0.06 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3gr9 h ILE 260 CO -0.02 0.02 -0.13 -0.33 0.00 0.00 0.00 178.15 177.69 3gr9 h GLU 261 N 0.11 -0.26 -0.96 2.37 4.39 -1.53 -2.02 114.58 116.68 3gr9 h GLU 261 Ca 0.20 0.02 0.17 0.00 0.34 0.00 0.00 59.36 60.09 3gr9 h GLU 261 Cb 0.29 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.90 3gr9 h GLU 261 CO -0.34 -0.18 0.56 1.96 -1.16 0.00 0.00 179.01 179.86 3gr9 h GLN 262 N -0.27 0.73 -0.79 2.33 1.08 -0.09 -1.48 115.11 116.61 3gr9 h GLN 262 Ca 0.01 -0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.27 3gr9 h GLN 262 Cb 0.28 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 3gr9 h GLN 262 CO -0.06 0.48 0.52 -0.07 -0.95 0.00 0.00 178.83 178.75 3gr9 h LEU 263 N 0.75 0.65 -0.22 1.46 3.38 0.89 -1.46 115.31 120.75 3gr9 h LEU 263 Ca 0.54 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.33 3gr9 h LEU 263 Cb 0.79 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3gr9 h LEU 263 CO -0.37 0.39 -0.62 0.11 0.09 0.00 0.00 178.44 178.04 3gr9 h LYS 264 N 0.72 0.81 -0.74 1.13 1.57 -1.11 -3.20 116.57 115.76 3gr9 h LYS 264 Ca 0.37 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3gr9 h LYS 264 Cb 0.46 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 3gr9 h LYS 264 CO -0.14 1.20 0.46 0.87 -0.57 0.00 0.00 179.45 181.27 3gr9 h LYS 265 N 0.57 0.99 -0.52 3.15 1.57 -1.42 -3.37 116.57 117.54 3gr9 h LYS 265 Ca -0.01 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3gr9 h LYS 265 Cb 1.24 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 33.27 3gr9 h LYS 265 CO 0.13 0.68 -0.30 -0.11 -0.57 0.00 0.00 179.45 179.28 3gr9 n LEU 266 N -4.54 -0.55 -0.29 2.94 7.94 -0.59 -0.04 117.00 121.88 3gr9 n LEU 266 Ca 0.07 1.07 0.16 0.00 -1.11 0.00 0.00 56.01 56.20 3gr9 n LEU 266 Cb 0.04 -0.19 0.31 0.00 0.53 0.00 0.00 43.42 44.11 3gr9 n LEU 266 CO 0.37 -0.82 0.74 -2.65 -1.11 0.00 0.00 177.39 173.91 3gr9 n PRO 267 N -4.34 -0.06 -0.04 1.96 -0.02 -1.26 0.50 135.00 131.73 3gr9 n PRO 267 Ca 0.01 1.27 -0.14 0.00 -2.02 0.00 0.00 63.50 62.61 3gr9 n PRO 267 Cb 0.13 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 3gr9 n PRO 267 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gr9 h ARG 268 N 0.00 0.43 -0.44 -0.52 2.43 -0.73 -0.53 114.38 115.02 3gr9 h ARG 268 Ca 0.57 -0.29 0.09 0.00 -0.81 0.00 0.00 59.98 59.54 3gr9 h ARG 268 Cb 1.28 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.78 3gr9 h ARG 268 CO -0.78 0.90 -0.18 0.74 -1.51 0.00 0.00 179.97 179.15 3gr9 h PHE 269 N 0.01 -0.43 -0.63 2.20 0.04 0.54 0.57 116.94 119.25 3gr9 h PHE 269 Ca -0.00 0.05 0.09 0.00 2.80 0.00 0.00 57.97 60.90 3gr9 h PHE 269 Cb 0.91 0.26 -0.07 0.00 2.20 0.00 0.00 35.95 39.24 3gr9 h PHE 269 CO 0.11 -0.26 0.27 0.82 -0.60 0.00 0.00 178.31 178.65 3gr9 h ILE 270 N -0.08 0.81 -0.64 -0.55 5.03 -0.05 0.40 117.51 122.43 3gr9 h ILE 270 Ca 0.21 -0.17 -0.04 0.00 -0.12 0.00 0.00 64.86 64.75 3gr9 h ILE 270 Cb 0.41 0.29 -0.03 0.00 -3.03 0.00 0.00 36.82 34.46 3gr9 h ILE 270 CO -0.50 0.09 0.25 -1.28 -0.68 0.00 0.00 178.15 176.03 3gr9 h SER 271 N 0.48 0.89 -0.43 1.72 0.87 0.70 0.06 113.55 117.85 3gr9 h SER 271 Ca 0.31 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3gr9 h SER 271 Cb 0.35 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3gr9 h SER 271 CO -0.28 0.83 0.07 0.58 -0.53 0.00 0.00 176.83 177.50 3gr9 h VAL 272 N 0.91 1.24 -0.39 2.23 2.07 -0.40 0.30 116.25 122.21 3gr9 h VAL 272 Ca 0.21 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3gr9 h VAL 272 Cb 0.22 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3gr9 h VAL 272 CO -0.02 0.31 0.23 0.03 0.02 0.00 0.00 177.57 178.14 3gr9 h ARG 273 N 0.57 0.45 -0.45 1.57 3.08 0.26 -1.03 114.38 118.83 3gr9 h ARG 273 Ca 0.13 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 3gr9 h ARG 273 Cb 0.38 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3gr9 h ARG 273 CO 0.01 0.30 -0.03 0.00 -1.07 0.00 0.00 179.97 179.18 3gr9 h ARG 274 N 0.46 0.76 0.24 0.04 3.08 -0.65 -2.13 114.38 116.18 3gr9 h ARG 274 Ca 0.16 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3gr9 h ARG 274 Cb 0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3gr9 h ARG 274 CO -0.07 0.79 -0.29 -0.22 -1.07 0.00 0.00 179.97 179.11 3gr9 h LYS 275 N 0.70 -0.55 -0.30 0.04 1.63 -0.07 -1.42 116.57 116.60 3gr9 h LYS 275 Ca 0.13 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 60.04 3gr9 h LYS 275 Cb 0.48 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 32.17 3gr9 h LYS 275 CO 0.02 -0.37 -0.13 -0.91 -3.45 0.00 0.00 179.45 174.61 3gr9 h ASN 276 N -0.57 -0.46 -0.87 4.20 2.35 -0.91 -2.76 115.58 116.56 3gr9 h ASN 276 Ca 0.00 0.11 0.08 0.00 -0.55 0.00 0.00 56.30 55.94 3gr9 h ASN 276 Cb 0.55 0.26 -0.07 0.00 0.05 0.00 0.00 38.32 39.11 3gr9 h ASN 276 CO -0.09 -0.17 0.53 0.00 -1.65 0.00 0.00 177.43 176.06 3gr9 h ALA 277 N 1.16 1.23 -0.17 -0.83 0.00 -0.72 -0.26 119.26 119.67 3gr9 h ALA 277 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3gr9 h ALA 277 Cb 0.32 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3gr9 h ALA 277 CO -0.36 0.23 -0.11 1.49 0.00 0.00 0.00 179.25 180.50 3gr9 h GLU 278 N 0.94 -0.11 -0.86 0.00 4.81 -1.06 0.41 114.58 118.70 3gr9 h GLU 278 Ca 0.40 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.65 3gr9 h GLU 278 Cb 0.25 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3gr9 h GLU 278 CO -0.20 -0.07 0.57 -0.92 -0.73 0.00 0.00 179.01 177.65 3gr9 h TYR 279 N -0.12 1.07 0.05 0.92 3.20 -0.87 -2.25 116.97 118.97 3gr9 h TYR 279 Ca 0.10 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.02 3gr9 h TYR 279 Cb 0.26 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3gr9 h TYR 279 CO -0.26 0.66 -0.20 0.35 -1.64 0.00 0.00 178.16 177.08 3gr9 h PHE 280 N 1.15 -0.51 -0.74 -3.82 3.57 0.26 -1.90 116.94 114.94 3gr9 h PHE 280 Ca 0.32 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 3gr9 h PHE 280 Cb -0.10 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3gr9 h PHE 280 CO -0.01 -0.28 0.40 -0.07 -2.23 0.00 0.00 178.31 176.12 3gr9 h LEU 281 N -0.34 0.93 -1.47 0.59 3.38 0.07 -1.89 115.31 116.58 3gr9 h LEU 281 Ca 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3gr9 h LEU 281 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3gr9 h LEU 281 CO -0.15 0.76 0.08 -0.78 0.09 0.00 0.00 178.44 178.44 3gr9 h ASP 282 N 1.02 0.39 0.45 -0.43 3.58 -1.03 -0.05 116.42 120.35 3gr9 h ASP 282 Ca 0.26 -0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.52 3gr9 h ASP 282 Cb 0.04 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 3gr9 h ASP 282 CO -0.04 0.39 -0.63 0.11 -2.88 0.00 0.00 179.24 176.19 3gr9 h LYS 283 N 0.42 0.17 -0.27 0.28 6.56 -0.75 -3.29 116.57 119.70 3gr9 h LYS 283 Ca 0.10 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 3gr9 h LYS 283 Cb 0.16 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 3gr9 h LYS 283 CO -0.00 0.74 0.00 1.19 -2.06 0.00 0.00 179.45 179.32 3gr9 n PHE 284 N -3.84 0.36 -0.18 -1.35 3.01 -0.77 -4.75 117.46 109.95 3gr9 n PHE 284 Ca -0.02 -0.50 -0.12 0.00 1.01 0.00 0.00 57.45 57.82 3gr9 n PHE 284 Cb 0.63 -0.03 -0.08 0.00 -0.01 0.00 0.00 39.48 39.99 3gr9 n PHE 284 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3gr9 h LYS 285 N 1.57 -0.31 -0.69 -1.08 3.64 -1.08 -2.15 116.57 116.47 3gr9 h LYS 285 Ca 0.00 0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.15 3gr9 h LYS 285 Cb 0.68 0.07 -0.15 0.00 -0.41 0.00 0.00 32.23 32.42 3gr9 h LYS 285 CO 0.00 -0.21 0.27 -0.25 -2.27 0.00 0.00 179.45 176.99 3gr9 n ASP 286 N -5.38 4.24 -4.51 4.20 8.00 -1.26 -5.03 116.55 116.81 3gr9 n ASP 286 Ca -0.02 -3.35 -0.52 0.00 0.71 0.00 0.00 54.79 51.61 3gr9 n ASP 286 Cb 0.34 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.12 40.66 3gr9 n ASP 286 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3gr9 n HIS 287 N -0.51 0.69 0.28 1.24 -0.00 -0.81 -4.88 115.22 111.23 3gr9 n HIS 287 Ca 0.42 0.86 0.16 0.00 0.46 0.00 0.00 57.72 59.62 3gr9 n HIS 287 Cb 1.35 -2.15 0.61 0.00 -0.12 0.00 0.00 29.99 29.68 3gr9 n HIS 287 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3gr9 h PRO 288 N 2.73 0.00 0.00 1.57 0.13 -1.95 -3.35 132.00 131.13 3gr9 h PRO 288 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3gr9 h PRO 288 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3gr9 h PRO 288 CO 0.66 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.91 3gr9 n TYR 289 N -3.06 0.00 -4.98 1.56 0.18 -1.26 -4.95 117.16 104.64 3gr9 n TYR 289 Ca 0.01 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.47 3gr9 n TYR 289 Cb 0.33 0.01 -0.15 0.00 -0.38 0.00 0.00 39.34 39.16 3gr9 n TYR 289 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3gr9 s LEU 290 N 0.00 2.47 -0.13 -3.48 1.43 -1.26 -0.27 118.68 117.45 3gr9 s LEU 290 Ca 0.00 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3gr9 s LEU 290 Cb 0.00 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 3gr9 s LEU 290 CO 0.00 0.22 0.00 -1.81 0.23 0.00 0.00 176.35 174.99 3gr9 s ASP 291 N 0.00 5.19 0.53 2.29 1.01 -0.38 -4.55 116.67 120.77 3gr9 s ASP 291 Ca -0.06 0.05 0.05 0.00 0.71 0.00 0.00 52.55 53.31 3gr9 s ASP 291 Cb -0.15 -1.66 0.03 0.00 1.01 0.00 0.00 42.92 42.15 3gr9 s ASP 291 CO 0.05 0.28 0.38 0.68 0.21 0.00 0.00 175.17 176.76 3gr9 s VAL 292 N -0.27 1.68 0.11 -1.27 -7.23 -1.26 0.36 120.40 112.52 3gr9 s VAL 292 Ca 0.06 -1.51 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 3gr9 s VAL 292 Cb -0.12 -2.20 -0.06 0.00 0.56 0.00 0.00 36.38 34.56 3gr9 s VAL 292 CO 0.02 0.00 1.16 -1.58 -0.31 0.00 0.00 175.10 174.40 3gr9 s GLN 293 N -4.25 4.49 -0.33 4.82 0.74 -1.26 -4.94 119.66 118.92 3gr9 s GLN 293 Ca 0.33 1.76 -0.27 0.00 0.05 0.00 0.00 55.36 57.23 3gr9 s GLN 293 Cb -0.02 -3.32 0.01 0.00 1.10 0.00 0.00 33.01 30.79 3gr9 s GLN 293 CO 0.21 -0.14 0.99 -1.14 -0.55 0.00 0.00 175.29 174.65 3gr9 s GLN 294 N 0.52 3.98 0.67 1.67 0.74 -0.06 -5.01 119.66 122.17 3gr9 s GLN 294 Ca 0.55 0.85 -0.15 0.00 0.05 0.00 0.00 55.36 56.66 3gr9 s GLN 294 Cb -0.30 -3.76 0.00 0.00 1.10 0.00 0.00 33.01 30.06 3gr9 s GLN 294 CO 0.32 -0.89 1.14 -2.00 -0.55 0.00 0.00 175.29 173.31 3gr9 s GLU 295 N 3.51 2.68 -0.01 1.67 2.12 -1.26 -4.38 118.70 123.03 3gr9 s GLU 295 Ca 0.41 1.51 0.01 0.00 0.36 0.00 0.00 54.97 57.26 3gr9 s GLU 295 Cb -0.12 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.35 3gr9 s GLU 295 CO 0.16 -1.36 -0.02 0.99 -0.54 0.00 0.00 175.26 174.48 3gr9 s THR 296 N -2.19 0.24 0.00 -1.70 2.01 -1.26 -5.06 115.64 107.68 3gr9 s THR 296 Ca 0.69 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.61 3gr9 s THR 296 Cb -0.23 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.04 3gr9 s THR 296 CO 0.41 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 3gr9 n GLY 297 N 3.28 2.80 3.01 4.40 0.00 -1.26 -3.59 105.19 113.84 3gr9 n GLY 297 Ca -0.16 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 1.81 0.86 1.61 2.02 0.14 -5.01 118.70 120.12 3gr9 s GLU 298 Ca 0.00 -2.21 -0.12 0.00 0.02 0.00 0.00 54.97 52.66 3gr9 s GLU 298 Cb 0.00 -3.33 0.10 0.00 0.10 0.00 0.00 34.13 31.00 3gr9 s GLU 298 CO 0.00 -1.04 1.13 0.45 0.02 0.00 0.00 175.26 175.82 3gr9 n SER 299 N 3.79 0.57 -1.14 -0.19 2.88 -1.24 -2.17 113.62 116.11 3gr9 n SER 299 Ca 0.04 0.51 0.10 0.00 -1.33 0.00 0.00 58.87 58.19 3gr9 n SER 299 Cb 0.38 -1.48 0.26 0.00 -0.75 0.00 0.00 64.21 62.62 3gr9 n SER 299 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3gr9 n SER 300 N -3.49 3.60 -3.65 -3.46 3.41 0.70 -4.83 113.62 105.89 3gr9 n SER 300 Ca 0.13 -1.98 -0.25 0.00 -0.26 0.00 0.00 58.87 56.50 3gr9 n SER 300 Cb 0.51 -0.38 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 3gr9 n SER 300 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3gr9 n TRP 301 N 1.35 -2.29 0.15 7.33 7.02 -1.26 -4.77 117.44 124.97 3gr9 n TRP 301 Ca 0.20 0.94 -0.13 0.00 -1.02 0.00 0.00 57.50 57.49 3gr9 n TRP 301 Cb 0.57 -2.70 -0.06 0.00 -2.42 0.00 0.00 31.31 26.70 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 0.33 -0.61 -1.60 -5.99 3.57 0.52 -3.45 116.94 109.71 3gr9 h PHE 302 Ca -0.56 0.01 0.00 0.00 3.53 0.00 0.00 57.97 60.95 3gr9 h PHE 302 Cb 1.36 0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.35 3gr9 h PHE 302 CO 0.18 -0.34 0.00 0.41 -2.23 0.00 0.00 178.31 176.33 3gr9 n GLY 303 N -1.35 2.85 3.17 2.40 0.00 -1.23 -3.48 105.19 107.54 3gr9 n GLY 303 Ca -0.08 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 -5.53 3.08 0.20 1.61 0.08 0.70 -4.82 117.98 113.30 3gr9 s PHE 304 Ca 0.00 -1.71 -0.02 0.00 0.12 0.00 0.00 56.93 55.33 3gr9 s PHE 304 Cb 0.00 -2.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 3gr9 s PHE 304 CO 0.00 -0.77 0.41 -1.54 -0.10 0.00 0.00 175.22 173.22 3gr9 s SER 305 N 1.28 6.41 -0.04 1.36 1.04 -1.26 0.11 113.70 122.60 3gr9 s SER 305 Ca -0.01 0.47 -0.02 0.00 0.48 0.00 0.00 55.95 56.86 3gr9 s SER 305 Cb -0.17 -2.04 0.03 0.00 0.10 0.00 0.00 66.02 63.94 3gr9 s SER 305 CO -0.05 -0.05 0.10 -0.36 0.98 0.00 0.00 173.24 173.86 3gr9 s PHE 306 N -1.87 -0.10 -0.21 5.02 0.08 0.46 -4.39 117.98 116.99 3gr9 s PHE 306 Ca 0.39 0.31 0.01 0.00 0.12 0.00 0.00 56.93 57.76 3gr9 s PHE 306 Cb -0.11 -0.08 0.05 0.00 -0.57 0.00 0.00 43.02 42.31 3gr9 s PHE 306 CO 0.29 -0.11 -0.08 0.42 -0.10 0.00 0.00 175.22 175.64 3gr9 s ILE 307 N 0.75 1.50 -0.06 0.64 1.01 0.16 -1.34 121.20 123.86 3gr9 s ILE 307 Ca -0.06 -1.02 -0.34 0.00 0.00 0.00 0.00 60.65 59.24 3gr9 s ILE 307 Cb -0.08 -1.67 -0.11 0.00 0.01 0.00 0.00 42.46 40.61 3gr9 s ILE 307 CO -0.03 0.06 1.88 -0.38 0.00 0.00 0.00 174.94 176.47 3gr9 n ILE 308 N 4.71 0.58 -1.72 2.92 5.41 0.11 -1.25 119.36 130.12 3gr9 n ILE 308 Ca -0.13 -0.10 -0.42 0.00 1.00 0.00 0.00 62.75 63.09 3gr9 n ILE 308 Cb 0.46 -1.92 -0.01 0.00 -0.71 0.00 0.00 39.64 37.46 3gr9 n ILE 308 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3gr9 n LYS 309 N 6.60 2.34 -1.67 0.38 5.02 0.63 -4.91 118.16 126.55 3gr9 n LYS 309 Ca 0.22 0.82 -0.46 0.00 -2.02 0.00 0.00 58.31 56.87 3gr9 n LYS 309 Cb 0.31 -2.48 -0.04 0.00 -0.02 0.00 0.00 35.03 32.80 3gr9 n LYS 309 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3gr9 n LYS 310 N 0.82 2.21 0.00 1.97 5.02 -1.26 -2.06 118.16 124.87 3gr9 n LYS 310 Ca 0.05 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 3gr9 n LYS 310 Cb 0.36 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 3gr9 n LYS 310 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3gr9 n ASP 311 N 4.09 0.00 0.00 4.39 8.00 -1.26 -4.91 116.55 126.86 3gr9 n ASP 311 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 3gr9 n ASP 311 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3gr9 n ASP 311 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gr9 n SER 312 N 1.44 0.00 0.00 -2.24 3.41 -0.87 -4.68 113.62 110.68 3gr9 n SER 312 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3gr9 n SER 312 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3gr9 n SER 312 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gr9 n GLY 313 N -0.87 0.58 3.66 5.00 0.00 -1.26 -5.05 105.19 107.25 3gr9 n GLY 313 Ca 0.00 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 3gr9 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gr9 s VAL 314 N -2.00 4.27 -0.14 1.61 0.11 -1.26 -5.10 120.40 117.90 3gr9 s VAL 314 Ca 0.00 -0.26 -0.16 0.00 -2.93 0.00 0.00 61.98 58.63 3gr9 s VAL 314 Cb 0.00 -2.81 -0.04 0.00 -1.53 0.00 0.00 36.38 32.00 3gr9 s VAL 314 CO 0.00 0.59 0.39 -0.63 -3.33 0.00 0.00 175.10 172.12 3gr9 s ILE 315 N -0.69 5.24 0.19 7.04 1.09 -1.26 -4.99 121.20 127.82 3gr9 s ILE 315 Ca 0.11 0.77 -0.12 0.00 -1.10 0.00 0.00 60.65 60.31 3gr9 s ILE 315 Cb -0.12 -3.73 0.11 0.00 -1.06 0.00 0.00 42.46 37.67 3gr9 s ILE 315 CO 0.02 0.36 1.73 -0.09 -0.10 0.00 0.00 174.94 176.86 3gr9 h ARG 316 N 6.66 0.27 -0.33 2.79 1.12 -1.95 -1.96 114.38 120.98 3gr9 h ARG 316 Ca -0.41 -0.02 0.10 0.00 -1.11 0.00 0.00 59.98 58.54 3gr9 h ARG 316 Cb 1.17 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.06 3gr9 h ARG 316 CO 0.75 0.18 0.26 0.87 -3.11 0.00 0.00 179.97 178.92 3gr9 h LYS 317 N 0.28 0.00 0.00 0.20 1.57 -1.94 -1.51 116.57 115.17 3gr9 h LYS 317 Ca 0.26 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.86 3gr9 h LYS 317 Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3gr9 h LYS 317 CO -0.31 0.00 -0.86 1.96 -0.57 0.00 0.00 179.45 179.67 3gr9 h GLN 318 N 0.00 0.00 -0.62 3.15 1.08 -1.77 -2.21 115.11 114.74 3gr9 h GLN 318 Ca 0.16 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.33 3gr9 h GLN 318 Cb 0.68 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.08 3gr9 h GLN 318 CO -0.00 0.86 0.25 -0.07 -0.95 0.00 0.00 178.83 178.92 3gr9 h LEU 319 N 0.00 0.82 0.62 1.46 3.38 -1.28 0.23 115.31 120.53 3gr9 h LEU 319 Ca -0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3gr9 h LEU 319 Cb 1.61 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 42.16 3gr9 h LEU 319 CO 0.11 0.73 -0.30 0.58 0.09 0.00 0.00 178.44 179.65 3gr9 h VAL 320 N 0.88 0.00 -0.73 1.22 2.07 -1.40 -1.08 116.25 117.22 3gr9 h VAL 320 Ca 0.21 -0.34 0.14 0.00 0.82 0.00 0.00 66.70 67.53 3gr9 h VAL 320 Cb 0.16 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.80 3gr9 h VAL 320 CO -0.02 0.00 -0.24 -0.33 0.02 0.00 0.00 177.57 177.00 3gr9 h GLU 321 N -1.17 -0.04 0.09 1.57 5.08 -1.02 0.19 114.58 119.28 3gr9 h GLU 321 Ca -0.08 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3gr9 h GLU 321 Cb 0.64 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 3gr9 h GLU 321 CO 0.14 -0.03 -0.38 -0.91 -1.00 0.00 0.00 179.01 176.83 3gr9 h ASN 322 N -0.04 -1.12 -0.96 1.42 -0.26 -0.48 -0.76 115.58 113.37 3gr9 h ASN 322 Ca 0.33 0.13 0.10 0.00 -0.56 0.00 0.00 56.30 56.30 3gr9 h ASN 322 Cb 0.55 0.43 -0.08 0.00 -1.06 0.00 0.00 38.32 38.16 3gr9 h ASN 322 CO -0.77 -0.45 0.60 -0.07 -1.06 0.00 0.00 177.43 175.68 3gr9 h LEU 323 N -0.59 0.89 0.73 1.61 3.38 0.42 -0.68 115.31 121.05 3gr9 h LEU 323 Ca 0.03 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3gr9 h LEU 323 Cb 0.64 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3gr9 h LEU 323 CO -0.24 0.50 -0.35 0.78 0.09 0.00 0.00 178.44 179.22 3gr9 h ASN 324 N 0.98 -0.83 0.00 -0.43 -0.26 0.10 0.51 115.58 115.65 3gr9 h ASN 324 Ca 0.46 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.23 3gr9 h ASN 324 Cb 0.40 0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 3gr9 h ASN 324 CO -0.25 -0.59 0.17 0.77 -1.06 0.00 0.00 177.43 176.47 3gr9 h SER 325 N -0.98 0.00 -0.58 5.81 4.64 -0.90 2.40 113.55 123.94 3gr9 h SER 325 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3gr9 h SER 325 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3gr9 h SER 325 CO 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 3gr9 n ALA 326 N -1.71 2.76 -1.03 5.18 0.00 -0.29 -4.90 120.51 120.52 3gr9 n ALA 326 Ca -0.01 -1.22 -0.01 0.00 0.00 0.00 0.00 53.44 52.19 3gr9 n ALA 326 Cb 0.20 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 3gr9 n ALA 326 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gr9 n GLY 327 N 1.20 0.15 3.63 0.00 0.00 0.81 -4.96 105.19 106.02 3gr9 n GLY 327 Ca 0.21 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.18 4.71 -0.19 -0.61 1.01 0.17 -4.91 121.20 120.19 3gr9 s ILE 328 Ca 0.00 1.55 -0.29 0.00 0.00 0.00 0.00 60.65 61.91 3gr9 s ILE 328 Cb 0.00 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 3gr9 s ILE 328 CO 0.00 -0.26 1.25 -0.70 0.00 0.00 0.00 174.94 175.23 3gr9 s GLU 329 N 3.15 4.20 0.36 2.79 2.12 -1.26 -3.64 118.70 126.42 3gr9 s GLU 329 Ca 0.38 1.58 0.04 0.00 0.36 0.00 0.00 54.97 57.33 3gr9 s GLU 329 Cb -0.14 -3.77 -0.06 0.00 0.26 0.00 0.00 34.13 30.43 3gr9 s GLU 329 CO 0.11 -0.75 0.06 0.00 -0.54 0.00 0.00 175.26 174.14 3gr9 n ARG 331 N -0.79 1.02 -2.28 0.00 1.85 0.42 -4.99 116.66 111.89 3gr9 n ARG 331 Ca -0.04 -2.19 -0.37 0.00 -1.00 0.00 0.00 57.85 54.24 3gr9 n ARG 331 Cb 0.66 2.63 -0.01 0.00 -1.05 0.00 0.00 32.46 34.69 3gr9 n ARG 331 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3gr9 s PRO 332 N -2.18 3.80 -0.41 2.89 0.02 -1.26 0.14 135.00 137.99 3gr9 s PRO 332 Ca 0.17 1.76 -0.28 0.00 0.02 0.00 0.00 61.00 62.67 3gr9 s PRO 332 Cb -0.04 -2.43 -0.01 0.00 0.02 0.00 0.00 34.50 32.04 3gr9 s PRO 332 CO 0.13 -0.52 1.73 0.42 -0.33 0.00 0.00 177.00 178.43 3gr9 s ILE 333 N -1.55 3.53 0.00 2.83 1.01 -1.26 -4.45 121.20 121.31 3gr9 s ILE 333 Ca 0.63 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.78 3gr9 s ILE 333 Cb -0.28 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3gr9 s ILE 333 CO 0.34 -0.60 0.00 0.52 0.00 0.00 0.00 174.94 175.20 3gr9 n VAL 334 N 7.30 0.00 -0.15 2.92 0.31 -1.26 0.22 118.33 127.67 3gr9 n VAL 334 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 3gr9 n VAL 334 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 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 0.54 -3.92 2.52 -2.24 -1.26 -5.05 114.28 104.86 3gr9 n THR 335 Ca 0.00 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 3gr9 n THR 335 Cb 0.00 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 -0.27 0.20 3.57 3.38 0.00 0.13 -4.62 105.19 107.58 3gr9 n GLY 336 Ca 0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 6.42 0.42 1.61 2.47 -1.26 -4.58 114.94 116.03 3gr9 s ASN 337 Ca 0.00 0.00 0.16 0.00 0.42 0.00 0.00 52.86 53.44 3gr9 s ASN 337 Cb 0.00 -2.53 1.05 0.00 -1.45 0.00 0.00 41.25 38.33 3gr9 s ASN 337 CO 0.00 -1.42 1.91 0.15 -3.72 0.00 0.00 177.10 174.02 3gr9 h PHE 338 N 9.49 0.50 0.00 0.43 3.57 -1.69 -1.48 116.94 127.76 3gr9 h PHE 338 Ca -0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3gr9 h PHE 338 Cb 1.06 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3gr9 h PHE 338 CO 1.01 0.18 0.00 -0.07 -2.23 0.00 0.00 178.31 177.20 3gr9 h LEU 339 N 0.42 0.00 0.00 0.59 -0.00 -1.91 -0.83 115.31 113.58 3gr9 h LEU 339 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.27 3gr9 h LEU 339 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 3gr9 h LEU 339 CO -0.13 0.00 0.00 2.29 -0.00 0.00 0.00 178.44 180.60 3gr9 n LYS 340 N -2.74 0.17 -1.98 1.13 2.85 -0.56 -4.06 118.16 112.98 3gr9 n LYS 340 Ca -0.01 0.16 -0.42 0.00 -1.05 0.00 0.00 58.31 57.00 3gr9 n LYS 340 Cb 0.14 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.02 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 -1.33 5.58 -0.05 -5.58 3.02 -0.32 -4.78 115.26 111.80 3gr9 n ASN 341 Ca 0.06 -2.97 -0.08 0.00 -0.03 0.00 0.00 54.58 51.57 3gr9 n ASN 341 Cb 0.13 -1.53 -0.02 0.00 -0.61 0.00 0.00 39.78 37.76 3gr9 n ASN 341 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3gr9 h THR 342 N 3.56 0.72 -1.04 3.41 1.35 -1.87 -2.20 112.91 116.84 3gr9 h THR 342 Ca 0.55 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 66.68 3gr9 h THR 342 Cb 0.54 0.72 -0.09 0.00 -1.73 0.00 0.00 68.15 67.59 3gr9 h THR 342 CO 1.71 0.00 0.67 0.44 -0.25 0.00 0.00 175.52 178.09 3gr9 h ASP 343 N -0.04 0.43 0.16 5.36 5.19 -1.96 -2.32 116.42 123.25 3gr9 h ASP 343 Ca 0.12 0.08 -0.36 0.00 -0.62 0.00 0.00 57.03 56.25 3gr9 h ASP 343 Cb 0.21 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 3gr9 h ASP 343 CO -0.26 0.09 -2.00 0.55 -3.12 0.00 0.00 179.24 174.50 3gr9 n VAL 344 N -4.61 1.74 0.29 -1.35 3.14 -0.89 -3.84 118.33 112.82 3gr9 n VAL 344 Ca 0.25 -0.67 0.15 0.00 -2.96 0.00 0.00 64.34 61.12 3gr9 n VAL 344 Cb 0.88 -1.63 0.77 0.00 -1.06 0.00 0.00 33.84 32.80 3gr9 n VAL 344 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3gr9 h LEU 345 N 0.06 0.00 -1.32 6.55 3.38 -1.02 1.11 115.31 124.07 3gr9 h LEU 345 Ca -0.42 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.77 3gr9 h LEU 345 Cb 2.03 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.69 3gr9 h LEU 345 CO 0.08 0.00 0.63 0.50 0.09 0.00 0.00 178.44 179.73 3gr9 h LYS 346 N 0.00 0.49 -0.19 1.13 3.64 -1.53 -0.75 116.57 119.36 3gr9 h LYS 346 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3gr9 h LYS 346 Cb 0.81 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3gr9 h LYS 346 CO -0.00 0.32 0.00 0.66 -2.27 0.00 0.00 179.45 178.16 3gr9 n TYR 347 N -4.62 0.25 -4.02 1.91 4.01 0.38 -4.90 117.16 110.16 3gr9 n TYR 347 Ca 0.23 -0.12 -0.22 0.00 -0.16 0.00 0.00 57.90 57.62 3gr9 n TYR 347 Cb 0.73 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.71 3gr9 n TYR 347 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3gr9 s PHE 348 N -1.75 3.03 -0.57 -0.72 0.40 -0.29 -4.97 117.98 113.10 3gr9 s PHE 348 Ca 0.28 -0.18 -0.03 0.00 -0.60 0.00 0.00 56.93 56.41 3gr9 s PHE 348 Cb 0.15 -1.52 0.15 0.00 0.51 0.00 0.00 43.02 42.31 3gr9 s PHE 348 CO 0.22 0.42 0.39 0.34 0.70 0.00 0.00 175.22 177.28 3gr9 s ASP 349 N -3.89 5.25 0.33 1.36 2.15 -1.26 -5.03 116.67 115.58 3gr9 s ASP 349 Ca 0.35 -2.66 0.04 0.00 0.43 0.00 0.00 52.55 50.71 3gr9 s ASP 349 Cb -0.07 -1.85 -0.01 0.00 -0.30 0.00 0.00 42.92 40.68 3gr9 s ASP 349 CO 0.25 -0.41 0.13 0.00 -0.17 0.00 0.00 175.17 174.97 3gr9 n TYR 350 N 3.76 0.03 -3.46 -5.34 4.11 -1.26 -2.18 117.16 112.82 3gr9 n TYR 350 Ca 0.05 -2.14 -0.13 0.00 -0.00 0.00 0.00 57.90 55.68 3gr9 n TYR 350 Cb 0.39 0.02 -0.03 0.00 -0.00 0.00 0.00 39.34 39.72 3gr9 n TYR 350 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 3gr9 s THR 351 N -2.83 0.00 -0.24 -3.48 -1.32 0.04 -4.91 115.64 102.91 3gr9 s THR 351 Ca 0.18 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.66 3gr9 s THR 351 Cb 0.01 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.03 3gr9 s THR 351 CO 0.13 0.00 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.76 3gr9 s VAL 352 N -2.98 2.66 -0.49 5.08 1.01 -1.26 -0.69 120.40 123.73 3gr9 s VAL 352 Ca -0.01 -1.07 -0.27 0.00 0.00 0.00 0.00 61.98 60.63 3gr9 s VAL 352 Cb -0.01 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3gr9 s VAL 352 CO -0.07 0.24 2.10 -2.28 0.00 0.00 0.00 175.10 175.09 3gr9 s HIS 353 N 1.30 1.40 0.00 5.22 2.46 -0.72 -4.55 115.29 120.41 3gr9 s HIS 353 Ca 0.00 1.05 0.00 0.00 0.47 0.00 0.00 55.06 56.58 3gr9 s HIS 353 Cb -0.16 -3.88 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 3gr9 s HIS 353 CO -0.06 -2.66 0.00 -1.71 -2.47 0.00 0.00 174.74 167.84 3gr9 n ASN 354 N 13.54 0.00 -3.50 9.88 5.15 -1.26 -4.73 115.26 134.34 3gr9 n ASN 354 Ca 0.28 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.14 3gr9 n ASN 354 Cb 0.52 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.73 3gr9 n ASN 354 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3gr9 s ASN 355 N -4.00 -0.50 -0.46 1.20 2.20 -1.26 -5.06 114.94 107.06 3gr9 s ASN 355 Ca 0.00 0.25 0.05 0.00 -0.94 0.00 0.00 52.86 52.21 3gr9 s ASN 355 Cb 0.00 0.47 0.41 0.00 -2.00 0.00 0.00 41.25 40.13 3gr9 s ASN 355 CO 0.00 -0.67 1.11 1.33 -2.94 0.00 0.00 177.10 175.93 3gr9 n VAL 356 N 0.16 2.47 -0.27 3.54 0.24 -1.26 -4.47 118.33 118.74 3gr9 n VAL 356 Ca -0.14 -5.00 0.09 0.00 -2.04 0.00 0.00 64.34 57.25 3gr9 n VAL 356 Cb 0.61 -1.28 0.23 0.00 -1.47 0.00 0.00 33.84 31.93 3gr9 n VAL 356 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3gr9 h ASP 357 N 2.63 0.15 0.15 -1.34 5.19 -1.97 0.55 116.42 121.78 3gr9 h ASP 357 Ca 0.29 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.84 3gr9 h ASP 357 Cb 0.86 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.54 3gr9 h ASP 357 CO 0.86 -0.02 -0.07 0.78 -3.12 0.00 0.00 179.24 177.67 3gr9 h ASN 358 N 0.33 -0.17 -0.37 6.45 2.35 -1.88 0.15 115.58 122.45 3gr9 h ASN 358 Ca 0.47 -0.22 0.08 0.00 -0.55 0.00 0.00 56.30 56.08 3gr9 h ASN 358 Cb 0.84 0.04 -0.08 0.00 0.05 0.00 0.00 38.32 39.18 3gr9 h ASN 358 CO -0.52 0.14 -0.15 0.00 -1.65 0.00 0.00 177.43 175.25 3gr9 h ALA 359 N 0.32 0.15 -0.74 -0.83 0.00 -1.60 0.46 119.26 117.01 3gr9 h ALA 359 Ca -0.02 0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.20 3gr9 h ALA 359 Cb 0.38 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 3gr9 h ALA 359 CO 0.03 -0.52 0.11 0.93 0.00 0.00 0.00 179.25 179.80 3gr9 h GLU 360 N -0.08 0.18 -0.22 0.00 5.08 0.32 -0.31 114.58 119.55 3gr9 h GLU 360 Ca 0.18 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 3gr9 h GLU 360 Cb 0.36 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3gr9 h GLU 360 CO -0.42 0.12 -0.51 -0.92 -1.00 0.00 0.00 179.01 176.28 3gr9 h TYR 361 N 0.19 0.76 -0.46 4.33 5.03 0.12 -3.03 116.97 123.91 3gr9 h TYR 361 Ca 0.42 -0.26 -0.12 0.00 2.58 0.00 0.00 58.73 61.35 3gr9 h TYR 361 Cb 0.74 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.86 3gr9 h TYR 361 CO -0.33 1.00 -0.19 1.25 -1.32 0.00 0.00 178.16 178.57 3gr9 h LEU 362 N 0.48 0.93 -0.89 2.82 6.46 0.13 -2.10 115.31 123.14 3gr9 h LEU 362 Ca 0.02 -0.34 0.12 0.00 -0.12 0.00 0.00 57.88 57.56 3gr9 h LEU 362 Cb 1.06 -0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.65 3gr9 h LEU 362 CO 0.10 1.10 0.52 -0.78 -0.62 0.00 0.00 178.44 178.76 3gr9 h ASP 363 N 0.80 0.73 0.54 1.25 3.58 -1.00 0.16 116.42 122.48 3gr9 h ASP 363 Ca 0.11 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3gr9 h ASP 363 Cb 0.74 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.71 3gr9 h ASP 363 CO 0.06 0.38 -1.24 0.29 -2.88 0.00 0.00 179.24 175.85 3gr9 n LYS 364 N -4.73 0.49 -0.67 0.28 5.02 -1.05 -4.35 118.16 113.14 3gr9 n LYS 364 Ca 0.16 -0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.49 3gr9 n LYS 364 Cb 0.34 -1.66 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 3gr9 n LYS 364 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gr9 n ASN 365 N -2.29 1.10 -4.41 4.39 3.02 -0.81 -4.62 115.26 111.64 3gr9 n ASN 365 Ca -0.00 -2.58 -0.31 0.00 -0.03 0.00 0.00 54.58 51.66 3gr9 n ASN 365 Cb 0.51 -0.34 -0.14 0.00 -0.61 0.00 0.00 39.78 39.20 3gr9 n ASN 365 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gr9 s GLY 366 N -2.08 1.48 0.02 7.41 0.00 0.04 0.10 107.32 114.30 3gr9 s GLY 366 Ca 0.23 -1.19 -0.12 0.00 0.00 0.00 0.00 44.72 43.63 3gr9 s GLY 366 CO -0.05 -1.06 0.26 0.48 0.00 0.00 0.00 173.10 172.73 3gr9 s LEU 367 N -1.22 1.07 0.01 0.66 0.05 -0.45 -4.39 118.68 114.40 3gr9 s LEU 367 Ca 0.13 -0.17 0.04 0.00 0.05 0.00 0.00 54.13 54.18 3gr9 s LEU 367 Cb -0.10 1.16 -0.01 0.00 -2.05 0.00 0.00 46.19 45.18 3gr9 s LEU 367 CO 0.03 -0.53 -0.13 0.12 -0.55 0.00 0.00 176.35 175.28 3gr9 s PHE 368 N -2.13 1.18 0.02 3.48 2.19 0.36 -0.40 117.98 122.67 3gr9 s PHE 368 Ca -0.08 -0.27 0.04 0.00 0.33 0.00 0.00 56.93 56.95 3gr9 s PHE 368 Cb -0.03 -0.73 -0.02 0.00 -1.31 0.00 0.00 43.02 40.93 3gr9 s PHE 368 CO -0.01 0.00 -0.13 0.14 1.83 0.00 0.00 175.22 177.05 3gr9 s VAL 369 N -0.52 1.05 0.96 3.12 -7.23 0.12 -0.44 120.40 117.46 3gr9 s VAL 369 Ca 0.04 -0.78 -0.12 0.00 -1.81 0.00 0.00 61.98 59.31 3gr9 s VAL 369 Cb -0.06 -0.92 0.17 0.00 0.56 0.00 0.00 36.38 36.13 3gr9 s VAL 369 CO 0.00 0.13 1.10 -0.83 -0.31 0.00 0.00 175.10 175.19 3gr9 s GLY 370 N -0.74 1.58 -0.02 2.32 0.00 -1.26 0.25 107.32 109.45 3gr9 s GLY 370 Ca 0.03 -0.28 0.04 0.00 0.00 0.00 0.00 44.72 44.51 3gr9 s GLY 370 CO 0.00 0.29 -0.15 0.21 0.00 0.00 0.00 173.10 173.46 3gr9 s ASN 371 N -3.49 1.77 0.23 1.64 2.47 -1.23 -4.47 114.94 111.87 3gr9 s ASN 371 Ca 0.65 -0.28 0.08 0.00 0.42 0.00 0.00 52.86 53.73 3gr9 s ASN 371 Cb -0.18 -0.30 -0.05 0.00 -1.45 0.00 0.00 41.25 39.27 3gr9 s ASN 371 CO 0.57 0.16 -0.13 -1.00 -3.72 0.00 0.00 177.10 172.98 3gr9 s HIS 372 N -0.19 1.87 -0.84 0.43 3.76 -1.26 -4.85 115.29 114.21 3gr9 s HIS 372 Ca 0.02 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.38 3gr9 s HIS 372 Cb -0.07 -0.90 0.00 0.00 1.11 0.00 0.00 32.58 32.71 3gr9 s HIS 372 CO 0.00 0.40 0.48 0.00 -0.85 0.00 0.00 174.74 174.78 3gr9 n GLN 373 N -0.47 0.83 -4.27 1.40 0.00 -1.26 -4.36 117.38 109.25 3gr9 n GLN 373 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 57.00 56.71 3gr9 n GLN 373 Cb 0.61 -1.36 -0.12 0.00 0.00 0.00 0.00 30.24 29.36 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 -0.82 1.59 0.11 -0.39 -4.36 -1.26 -4.84 121.20 111.23 3gr9 s ILE 374 Ca 0.00 -1.54 -0.31 0.00 -0.26 0.00 0.00 60.65 58.54 3gr9 s ILE 374 Cb 0.00 -1.49 -0.10 0.00 1.25 0.00 0.00 42.46 42.13 3gr9 s ILE 374 CO 0.00 -0.13 1.77 -0.70 0.24 0.00 0.00 174.94 176.11 3gr9 s GLU 375 N -1.99 4.16 -0.25 0.37 2.12 -1.26 -4.92 118.70 116.92 3gr9 s GLU 375 Ca 0.06 2.51 0.11 0.00 0.36 0.00 0.00 54.97 58.01 3gr9 s GLU 375 Cb -0.09 -3.57 0.50 0.00 0.26 0.00 0.00 34.13 31.23 3gr9 s GLU 375 CO 0.04 -0.80 1.44 1.28 -0.54 0.00 0.00 175.26 176.68 3gr9 n LEU 376 N 5.56 3.97 -0.28 2.70 4.77 -1.26 -4.84 117.00 127.62 3gr9 n LEU 376 Ca 0.17 -3.55 0.04 0.00 -0.03 0.00 0.00 56.01 52.64 3gr9 n LEU 376 Cb 0.39 -0.60 0.12 0.00 -2.33 0.00 0.00 43.42 41.00 3gr9 n LEU 376 CO 0.65 1.08 0.74 -0.26 -1.33 0.00 0.00 177.39 178.26 3gr9 h PHE 377 N 1.15 -0.31 -0.66 -1.77 0.04 -1.95 -0.35 116.94 113.09 3gr9 h PHE 377 Ca 0.15 0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 3gr9 h PHE 377 Cb 1.57 0.26 -0.03 0.00 2.20 0.00 0.00 35.95 39.95 3gr9 h PHE 377 CO 0.84 -0.33 0.28 0.22 -0.60 0.00 0.00 178.31 178.73 3gr9 h ASP 378 N 0.02 0.90 -0.25 2.17 3.58 -2.00 -1.38 116.42 119.47 3gr9 h ASP 378 Ca 0.40 -0.16 -0.09 0.00 0.42 0.00 0.00 57.03 57.61 3gr9 h ASP 378 Cb 0.66 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3gr9 h ASP 378 CO -0.79 0.81 -0.14 -0.08 -2.88 0.00 0.00 179.24 176.16 3gr9 h GLU 379 N 0.93 0.66 -0.51 0.28 4.81 -1.47 -1.17 114.58 118.10 3gr9 h GLU 379 Ca 0.22 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3gr9 h GLU 379 Cb 0.18 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3gr9 h GLU 379 CO -0.02 0.77 -0.07 0.82 -0.73 0.00 0.00 179.01 179.78 3gr9 h ILE 380 N 0.60 1.26 -0.23 2.32 2.04 -0.99 0.11 117.51 122.63 3gr9 h ILE 380 Ca 0.10 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 3gr9 h ILE 380 Cb 0.58 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3gr9 h ILE 380 CO 0.04 0.42 -0.00 0.44 0.00 0.00 0.00 178.15 179.04 3gr9 h ASP 381 N 0.84 0.40 -0.97 1.72 3.32 -0.79 -0.76 116.42 120.18 3gr9 h ASP 381 Ca 0.14 -0.31 0.05 0.00 0.02 0.00 0.00 57.03 56.93 3gr9 h ASP 381 Cb 0.59 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 3gr9 h ASP 381 CO 0.04 0.61 0.63 0.22 -1.72 0.00 0.00 179.24 179.02 3gr9 h TYR 382 N 0.17 1.17 0.16 4.55 3.20 -0.96 -1.93 116.97 123.34 3gr9 h TYR 382 Ca 0.06 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.98 3gr9 h TYR 382 Cb 0.41 -0.39 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3gr9 h TYR 382 CO 0.04 0.65 -0.37 -0.07 -1.64 0.00 0.00 178.16 176.77 3gr9 h LEU 383 N 1.19 -1.07 -0.55 2.82 3.38 -0.41 0.51 115.31 121.18 3gr9 h LEU 383 Ca 0.40 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.59 3gr9 h LEU 383 Cb 0.08 0.40 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 3gr9 h LEU 383 CO -0.14 -0.46 0.03 -0.09 0.09 0.00 0.00 178.44 177.87 3gr9 h ARG 384 N -0.63 0.15 -0.53 1.13 9.65 -0.64 0.69 114.38 124.20 3gr9 h ARG 384 Ca 0.02 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 3gr9 h ARG 384 Cb 0.64 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.17 3gr9 h ARG 384 CO -0.19 0.10 0.09 0.93 2.80 0.00 0.00 179.97 183.70 3gr9 h GLU 385 N 0.15 0.88 -0.33 0.20 4.39 -0.84 -2.84 114.58 116.19 3gr9 h GLU 385 Ca 0.28 -0.23 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 3gr9 h GLU 385 Cb 0.43 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3gr9 h GLU 385 CO -0.44 0.85 -0.32 0.28 -1.16 0.00 0.00 179.01 178.23 3gr9 h VAL 386 N 0.77 1.29 -1.32 3.13 2.07 0.85 -3.15 116.25 119.88 3gr9 h VAL 386 Ca 0.16 -1.49 -0.73 0.00 0.82 0.00 0.00 66.70 65.46 3gr9 h VAL 386 Cb 0.40 1.49 -0.15 0.00 -1.52 0.00 0.00 31.29 31.51 3gr9 h VAL 386 CO 0.01 0.49 2.01 0.18 0.02 0.00 0.00 177.57 180.28 3gr9 n LEU 387 N -4.18 7.81 0.00 2.57 4.77 0.23 -5.00 117.00 123.19 3gr9 n LEU 387 Ca -0.03 -4.89 0.13 0.00 -0.03 0.00 0.00 56.01 51.18 3gr9 n LEU 387 Cb 0.50 -1.32 0.76 0.00 -2.33 0.00 0.00 43.42 41.03 3gr9 n LEU 387 CO 0.46 2.03 0.94 1.17 -1.33 0.00 0.00 177.39 180.66