#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gr9 s ILE 2 N 0.00 3.59 -0.04 1.12 -1.09 -1.26 -4.41 121.20 119.11 3gr9 s ILE 2 Ca 0.00 0.48 -0.22 0.00 -2.23 0.00 0.00 60.65 58.68 3gr9 s ILE 2 Cb 0.00 -4.15 -0.27 0.00 -1.58 0.00 0.00 42.46 36.46 3gr9 s ILE 2 CO 0.00 -0.97 0.98 0.78 -1.23 0.00 0.00 174.94 174.50 3gr9 h ASN 3 N 12.62 0.41 -3.25 3.58 4.21 -1.29 -3.43 115.58 128.43 3gr9 h ASN 3 Ca -0.28 -0.86 -0.59 0.00 1.21 0.00 0.00 56.30 55.78 3gr9 h ASN 3 Cb 1.13 -0.13 -0.40 0.00 -1.12 0.00 0.00 38.32 37.80 3gr9 h ASN 3 CO 1.17 1.23 -0.76 -0.47 -1.29 0.00 0.00 177.43 177.31 3gr9 s TYR 4 N -2.81 1.76 0.67 1.19 6.14 -0.85 -5.01 117.35 118.45 3gr9 s TYR 4 Ca -0.14 -2.02 -0.10 0.00 0.64 0.00 0.00 57.07 55.45 3gr9 s TYR 4 Cb 0.01 -1.73 0.01 0.00 0.42 0.00 0.00 41.96 40.67 3gr9 s TYR 4 CO 0.80 -0.84 1.04 -1.25 0.64 0.00 0.00 175.55 175.94 3gr9 s PRO 5 N 1.07 2.92 0.20 4.97 0.04 -1.26 -1.94 135.00 141.00 3gr9 s PRO 5 Ca 0.14 0.34 0.11 0.00 0.04 0.00 0.00 61.00 61.62 3gr9 s PRO 5 Cb -0.21 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.26 3gr9 s PRO 5 CO -0.13 -0.91 1.41 -0.07 0.04 0.00 0.00 177.00 177.34 3gr9 h LEU 6 N -0.50 0.00 -9.78 -3.56 3.38 -1.96 -3.42 115.31 99.48 3gr9 h LEU 6 Ca -0.45 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.89 3gr9 h LEU 6 Cb 1.25 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.87 3gr9 h LEU 6 CO 0.63 0.76 -0.55 0.00 0.09 0.00 0.00 178.44 179.38 3gr9 s ALA 7 N -2.98 3.54 0.01 1.53 0.00 -1.26 -4.60 121.76 118.00 3gr9 s ALA 7 Ca 0.01 -1.18 -0.29 0.00 0.00 0.00 0.00 51.96 50.51 3gr9 s ALA 7 Cb 0.10 0.22 0.10 0.00 0.00 0.00 0.00 23.12 23.54 3gr9 s ALA 7 CO 0.78 -0.12 1.01 -1.54 0.00 0.00 0.00 175.76 175.89 3gr9 s SER 8 N -3.76 -0.24 0.19 0.00 1.04 -1.26 -5.11 113.70 104.56 3gr9 s SER 8 Ca 0.19 -0.14 -0.20 0.00 0.48 0.00 0.00 55.95 56.29 3gr9 s SER 8 Cb 0.05 0.35 -0.08 0.00 0.10 0.00 0.00 66.02 66.44 3gr9 s SER 8 CO 0.10 -0.60 0.70 -0.55 0.98 0.00 0.00 173.24 173.86 3gr9 s SER 9 N -2.63 7.07 0.00 7.02 0.15 -1.26 -4.93 113.70 119.12 3gr9 s SER 9 Ca 0.09 1.39 0.18 0.00 0.70 0.00 0.00 55.95 58.31 3gr9 s SER 9 Cb -0.00 -2.41 0.39 0.00 -1.71 0.00 0.00 66.02 62.29 3gr9 s SER 9 CO -0.04 0.08 1.31 0.35 1.20 0.00 0.00 173.24 176.14 3gr9 n THR 10 N 0.92 0.70 -3.28 6.45 -2.24 -1.26 -4.99 114.28 110.57 3gr9 n THR 10 Ca -0.04 -0.85 -0.22 0.00 -2.27 0.00 0.00 64.05 60.67 3gr9 n THR 10 Cb 0.51 0.77 -0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.16 3.31 0.34 4.78 0.52 -1.26 -5.00 118.94 120.48 3gr9 s TRP 11 Ca 0.33 0.17 -0.07 0.00 0.02 0.00 0.00 56.10 56.55 3gr9 s TRP 11 Cb 0.18 -2.06 0.03 0.00 -1.15 0.00 0.00 33.47 30.47 3gr9 s TRP 11 CO 0.25 -0.08 0.58 -0.40 0.02 0.00 0.00 176.95 177.32 3gr9 n ASP 12 N -1.85 -1.66 0.29 2.95 5.68 -1.26 -5.02 116.55 115.67 3gr9 n ASP 12 Ca -0.02 -2.62 0.12 0.00 -0.50 0.00 0.00 54.79 51.78 3gr9 n ASP 12 Cb 0.57 2.91 0.59 0.00 -1.14 0.00 0.00 41.12 44.05 3gr9 n ASP 12 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3gr9 h ASP 13 N 1.82 0.00 0.75 -1.12 2.03 -2.00 -2.04 116.42 115.86 3gr9 h ASP 13 Ca -0.28 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.99 3gr9 h ASP 13 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 3gr9 h ASP 13 CO 0.36 0.00 -0.41 -0.07 -1.03 0.00 0.00 179.24 178.10 3gr9 h LEU 14 N 0.00 -0.99 -1.06 0.15 3.38 -1.99 -1.25 115.31 113.54 3gr9 h LEU 14 Ca 0.04 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3gr9 h LEU 14 Cb 1.13 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 3gr9 h LEU 14 CO -0.00 -0.66 0.63 -0.33 0.09 0.00 0.00 178.44 178.17 3gr9 h GLU 15 N -1.07 1.10 -0.77 1.13 3.07 -1.74 -0.30 114.58 116.01 3gr9 h GLU 15 Ca -0.10 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 3gr9 h GLU 15 Cb 0.84 -0.25 -0.04 0.00 -0.84 0.00 0.00 28.75 28.46 3gr9 h GLU 15 CO 0.14 0.73 0.46 1.88 -1.40 0.00 0.00 179.01 180.81 3gr9 h TYR 16 N 1.13 1.02 -0.40 4.33 0.05 -1.56 -2.61 116.97 118.93 3gr9 h TYR 16 Ca 0.41 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.12 3gr9 h TYR 16 Cb 0.16 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 3gr9 h TYR 16 CO -0.00 0.68 -0.03 -0.22 -1.05 0.00 0.00 178.16 177.54 3gr9 h LYS 17 N 1.06 0.72 -0.44 4.88 1.63 0.08 -2.71 116.57 121.81 3gr9 h LYS 17 Ca 0.28 -0.25 0.03 0.00 -0.85 0.00 0.00 60.65 59.86 3gr9 h LYS 17 Cb -0.03 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 3gr9 h LYS 17 CO -0.05 0.83 0.29 0.00 -3.45 0.00 0.00 179.45 177.07 3gr9 h ALA 18 N 0.87 1.80 -0.35 5.00 0.00 -0.79 0.03 119.26 125.83 3gr9 h ALA 18 Ca 0.11 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3gr9 h ALA 18 Cb 0.52 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gr9 h ALA 18 CO 0.03 0.15 -0.43 0.82 0.00 0.00 0.00 179.25 179.81 3gr9 h ILE 19 N 0.49 1.27 0.20 0.00 2.04 -1.34 -2.65 117.51 117.52 3gr9 h ILE 19 Ca 0.18 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 3gr9 h ILE 19 Cb 0.10 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3gr9 h ILE 19 CO -0.04 0.53 -0.09 -0.61 0.00 0.00 0.00 178.15 177.94 3gr9 h GLN 20 N 0.71 -0.25 -1.04 2.37 5.75 -0.84 -1.20 115.11 120.60 3gr9 h GLN 20 Ca 0.05 0.02 0.28 0.00 -0.15 0.00 0.00 58.65 58.85 3gr9 h GLN 20 Cb 1.03 0.06 -0.12 0.00 1.07 0.00 0.00 27.48 29.51 3gr9 h GLN 20 CO 0.10 -0.16 0.63 0.77 -2.65 0.00 0.00 178.83 177.52 3gr9 h SER 21 N -0.27 0.54 0.08 -0.69 0.02 -1.01 0.19 113.55 112.41 3gr9 h SER 21 Ca -0.03 0.13 -0.19 0.00 -0.84 0.00 0.00 61.79 60.86 3gr9 h SER 21 Cb 0.21 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3gr9 h SER 21 CO 0.04 0.02 -0.70 0.58 -1.14 0.00 0.00 176.83 175.63 3gr9 h VAL 22 N 0.43 1.33 -0.79 2.27 2.07 -0.97 -3.23 116.25 117.36 3gr9 h VAL 22 Ca 0.67 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 3gr9 h VAL 22 Cb 1.51 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 33.24 3gr9 h VAL 22 CO -0.45 0.62 0.34 -0.07 0.02 0.00 0.00 177.57 178.03 3gr9 h LEU 23 N 0.40 1.08 -2.51 2.57 3.38 0.48 -2.26 115.31 118.43 3gr9 h LEU 23 Ca -0.03 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 3gr9 h LEU 23 Cb 1.29 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 3gr9 h LEU 23 CO 0.13 0.94 0.12 0.47 0.09 0.00 0.00 178.44 180.20 3gr9 n ASP 24 N -4.31 3.63 0.00 -0.43 9.92 -0.38 -0.98 116.55 124.00 3gr9 n ASP 24 Ca 0.07 -2.35 0.00 0.00 -0.53 0.00 0.00 54.79 51.98 3gr9 n ASP 24 Cb 0.17 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 3gr9 n ASP 24 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3gr9 n SER 25 N 0.37 0.27 -3.73 -2.24 2.88 -0.95 -5.01 113.62 105.21 3gr9 n SER 25 Ca 0.11 -0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.36 3gr9 n SER 25 Cb 0.67 0.06 0.01 0.00 -0.75 0.00 0.00 64.21 64.20 3gr9 n SER 25 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gr9 n LYS 26 N -0.08 -4.39 -3.67 -1.46 5.02 -0.15 -4.94 118.16 108.49 3gr9 n LYS 26 Ca 0.00 0.54 -0.30 0.00 -2.02 0.00 0.00 58.31 56.53 3gr9 n LYS 26 Cb 0.00 -5.35 -0.15 0.00 -0.02 0.00 0.00 35.03 29.52 3gr9 n LYS 26 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3gr9 s MET 27 N -6.42 0.65 -0.16 1.97 1.75 -1.24 -5.02 119.30 110.82 3gr9 s MET 27 Ca 0.57 -1.07 0.13 0.00 -1.25 0.00 0.00 55.69 54.07 3gr9 s MET 27 Cb -0.30 -1.80 -0.23 0.00 2.84 0.00 0.00 34.83 35.34 3gr9 s MET 27 CO 0.71 -1.03 0.19 1.19 -0.65 0.00 0.00 175.02 175.43 3gr9 n PHE 28 N 4.75 0.33 -1.66 4.11 3.72 -1.26 -4.84 117.46 122.60 3gr9 n PHE 28 Ca -0.01 0.11 -0.33 0.00 -0.05 0.00 0.00 57.45 57.17 3gr9 n PHE 28 Cb 0.41 -1.06 0.06 0.00 -0.94 0.00 0.00 39.48 37.95 3gr9 n PHE 28 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3gr9 s THR 29 N -2.53 3.25 -0.49 4.37 2.01 -1.26 -0.82 115.64 120.18 3gr9 s THR 29 Ca -0.13 0.55 -0.45 0.00 0.31 0.00 0.00 61.69 61.97 3gr9 s THR 29 Cb 0.07 -3.06 -0.19 0.00 0.01 0.00 0.00 72.50 69.32 3gr9 s THR 29 CO 0.79 -0.40 1.67 0.80 -0.69 0.00 0.00 174.62 176.80 3gr9 n MET 30 N -2.63 0.00 0.00 4.92 1.56 -1.25 -4.34 117.12 115.38 3gr9 n MET 30 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.53 3gr9 n MET 30 Cb 0.52 -1.46 0.00 0.00 2.15 0.00 0.00 33.22 34.44 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 4.65 3.05 0.21 -5.12 0.00 -1.26 -4.99 105.19 101.72 3gr9 n GLY 31 Ca 0.35 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 0.70 0.20 1.61 4.39 -1.96 0.84 114.58 120.36 3gr9 h GLU 32 Ca 0.00 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 3gr9 h GLU 32 Cb 0.00 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3gr9 h GLU 32 CO 0.00 1.03 -0.10 1.88 -1.16 0.00 0.00 179.01 180.66 3gr9 h TYR 33 N 0.43 -0.25 -0.00 4.33 0.05 -1.94 0.35 116.97 119.93 3gr9 h TYR 33 Ca 0.03 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.82 3gr9 h TYR 33 Cb 0.95 0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.73 3gr9 h TYR 33 CO 0.08 -0.12 -0.42 0.28 -1.05 0.00 0.00 178.16 176.92 3gr9 h VAL 34 N -0.32 0.00 -0.87 -2.88 2.07 -1.76 0.33 116.25 112.82 3gr9 h VAL 34 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 3gr9 h VAL 34 Cb 0.24 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.95 3gr9 h VAL 34 CO 0.05 0.00 0.56 0.50 0.02 0.00 0.00 177.57 178.70 3gr9 h LYS 35 N -0.53 0.64 -0.20 1.57 3.64 -0.42 -0.08 116.57 121.18 3gr9 h LYS 35 Ca 0.01 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 3gr9 h LYS 35 Cb 0.57 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3gr9 h LYS 35 CO -0.28 0.42 -0.55 0.37 -2.27 0.00 0.00 179.45 177.14 3gr9 h GLN 36 N 0.66 0.60 0.60 1.90 4.15 0.32 -2.55 115.11 120.79 3gr9 h GLN 36 Ca 0.43 -0.38 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 3gr9 h GLN 36 Cb 0.72 0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.46 3gr9 h GLN 36 CO -0.19 0.99 -0.29 -0.92 -1.93 0.00 0.00 178.83 176.49 3gr9 h TYR 37 N 0.46 -0.75 -0.63 3.99 3.20 0.14 -2.15 116.97 121.22 3gr9 h TYR 37 Ca 0.01 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.99 3gr9 h TYR 37 Cb 1.10 0.25 -0.12 0.00 1.54 0.00 0.00 36.73 39.50 3gr9 h TYR 37 CO 0.05 -0.46 -0.17 0.93 -1.64 0.00 0.00 178.16 176.86 3gr9 h GLU 38 N -0.82 -0.02 -0.37 1.82 5.08 -0.99 0.31 114.58 119.59 3gr9 h GLU 38 Ca -0.08 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3gr9 h GLU 38 Cb 0.63 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 3gr9 h GLU 38 CO 0.14 -0.01 -0.04 1.15 -1.00 0.00 0.00 179.01 179.25 3gr9 h THR 39 N -0.02 0.68 -0.28 1.13 2.02 -1.31 0.18 112.91 115.30 3gr9 h THR 39 Ca 0.30 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.36 3gr9 h THR 39 Cb 0.48 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3gr9 h THR 39 CO -0.66 0.01 -0.25 1.56 0.37 0.00 0.00 175.52 176.55 3gr9 h GLN 40 N 0.06 0.55 0.15 6.66 1.08 -0.66 -0.44 115.11 122.51 3gr9 h GLN 40 Ca 0.18 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3gr9 h GLN 40 Cb 0.27 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3gr9 h GLN 40 CO -0.34 0.76 -0.07 0.35 -0.95 0.00 0.00 178.83 178.58 3gr9 h PHE 41 N 0.49 -0.19 -0.35 2.96 3.57 0.56 0.46 116.94 124.44 3gr9 h PHE 41 Ca 0.07 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3gr9 h PHE 41 Cb 0.69 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 3gr9 h PHE 41 CO 0.03 0.14 -0.04 0.00 -2.23 0.00 0.00 178.31 176.21 3gr9 h ALA 42 N 0.25 1.27 0.46 2.41 0.00 -1.01 0.35 119.26 122.98 3gr9 h ALA 42 Ca -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3gr9 h ALA 42 Cb 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gr9 h ALA 42 CO 0.03 0.49 -0.22 -0.22 0.00 0.00 0.00 179.25 179.33 3gr9 h LYS 43 N 0.54 -0.60 -0.45 0.00 3.64 -0.89 0.11 116.57 118.92 3gr9 h LYS 43 Ca 0.11 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.61 3gr9 h LYS 43 Cb 0.41 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.29 3gr9 h LYS 43 CO 0.02 -0.33 -0.01 1.15 -2.27 0.00 0.00 179.45 178.01 3gr9 h THR 44 N -0.77 0.64 0.00 1.00 2.02 0.56 -2.67 112.91 113.69 3gr9 h THR 44 Ca -0.06 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3gr9 h THR 44 Cb 0.55 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3gr9 h THR 44 CO 0.10 0.02 0.00 -0.26 0.37 0.00 0.00 175.52 175.75 3gr9 h PHE 45 N 0.10 0.00 0.00 3.16 -1.00 -0.93 -3.48 116.94 114.78 3gr9 h PHE 45 Ca 0.22 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3gr9 h PHE 45 Cb 0.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 3gr9 h PHE 45 CO -0.30 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 176.81 3gr9 n GLY 46 N 1.13 1.38 3.62 -1.45 0.00 0.27 -4.54 105.19 105.60 3gr9 n GLY 46 Ca 0.04 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 3gr9 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gr9 s SER 47 N -2.31 4.07 0.10 1.61 1.04 -0.63 -5.04 113.70 112.55 3gr9 s SER 47 Ca 0.00 -1.10 -0.16 0.00 0.48 0.00 0.00 55.95 55.17 3gr9 s SER 47 Cb 0.00 -0.47 -0.05 0.00 0.10 0.00 0.00 66.02 65.60 3gr9 s SER 47 CO 0.00 -0.29 1.52 0.11 0.98 0.00 0.00 173.24 175.56 3gr9 h LYS 48 N 1.81 0.61 -5.32 4.02 1.57 -1.85 -3.40 116.57 114.00 3gr9 h LYS 48 Ca -0.43 -0.22 -0.40 0.00 -1.87 0.00 0.00 60.65 57.73 3gr9 h LYS 48 Cb 1.25 -0.04 -0.19 0.00 0.08 0.00 0.00 32.23 33.32 3gr9 h LYS 48 CO 0.70 0.77 -0.76 0.71 -0.57 0.00 0.00 179.45 180.30 3gr9 s TYR 49 N -4.86 1.28 -0.12 -1.35 2.02 -0.40 -4.92 117.35 109.01 3gr9 s TYR 49 Ca -0.13 -0.54 -0.08 0.00 -0.37 0.00 0.00 57.07 55.95 3gr9 s TYR 49 Cb 0.09 -0.69 0.04 0.00 -0.40 0.00 0.00 41.96 40.99 3gr9 s TYR 49 CO 0.78 0.09 0.29 0.00 -1.57 0.00 0.00 175.55 175.15 3gr9 s ALA 50 N -1.89 -0.72 -0.18 3.71 0.00 -1.26 -1.96 121.76 119.47 3gr9 s ALA 50 Ca 0.05 1.00 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 3gr9 s ALA 50 Cb -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3gr9 s ALA 50 CO 0.02 -0.18 -0.13 0.08 0.00 0.00 0.00 175.76 175.55 3gr9 s VAL 51 N 0.74 2.72 0.20 0.00 1.01 0.10 -4.73 120.40 120.45 3gr9 s VAL 51 Ca -0.05 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 3gr9 s VAL 51 Cb -0.06 -2.18 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 3gr9 s VAL 51 CO -0.05 0.49 0.87 -0.32 0.00 0.00 0.00 175.10 176.09 3gr9 s MET 52 N 1.15 4.72 0.23 2.72 1.75 -1.26 -0.82 119.30 127.79 3gr9 s MET 52 Ca 0.01 1.34 0.03 0.00 -1.25 0.00 0.00 55.69 55.82 3gr9 s MET 52 Cb -0.14 -3.28 -0.01 0.00 2.84 0.00 0.00 34.83 34.24 3gr9 s MET 52 CO -0.05 0.53 0.10 1.33 -0.65 0.00 0.00 175.02 176.28 3gr9 n VAL 53 N 1.61 0.00 0.15 10.11 0.24 0.35 -4.49 118.33 126.28 3gr9 n VAL 53 Ca -0.03 -1.37 0.04 0.00 -2.04 0.00 0.00 64.34 60.94 3gr9 n VAL 53 Cb 0.48 0.52 0.45 0.00 -1.47 0.00 0.00 33.84 33.82 3gr9 n VAL 53 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3gr9 h SER 54 N 0.97 0.18 -5.39 -1.34 4.64 -1.54 -2.63 113.55 108.44 3gr9 h SER 54 Ca -0.17 -0.03 0.22 0.00 -0.47 0.00 0.00 61.79 61.34 3gr9 h SER 54 Cb 0.69 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 62.64 3gr9 h SER 54 CO 0.27 0.29 0.60 -0.94 -0.87 0.00 0.00 176.83 176.18 3gr9 s SER 55 N -6.91 -0.15 0.44 4.97 1.04 -1.26 -2.90 113.70 108.94 3gr9 s SER 55 Ca -0.05 -0.28 0.16 0.00 0.48 0.00 0.00 55.95 56.25 3gr9 s SER 55 Cb 0.16 0.37 1.01 0.00 0.10 0.00 0.00 66.02 67.65 3gr9 s SER 55 CO 0.72 -0.68 1.97 1.23 0.98 0.00 0.00 173.24 177.46 3gr9 h GLY 56 N 2.00 0.00 0.97 7.32 0.00 -1.73 -1.83 103.07 109.81 3gr9 h GLY 56 Ca -0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3gr9 h GLY 56 CO 0.27 0.00 0.23 1.76 0.00 0.00 0.00 176.54 178.79 3gr9 h SER 57 N 0.00 0.49 -0.80 0.19 0.02 -1.92 -2.07 113.55 109.47 3gr9 h SER 57 Ca -0.00 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3gr9 h SER 57 Cb 0.39 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 3gr9 h SER 57 CO 0.03 0.43 0.47 0.71 -1.14 0.00 0.00 176.83 177.33 3gr9 h THR 58 N 0.52 1.23 -0.29 -2.27 1.35 -1.73 -1.37 112.91 110.35 3gr9 h THR 58 Ca 0.14 -0.53 0.07 0.00 -0.55 0.00 0.00 66.41 65.54 3gr9 h THR 58 Cb 0.04 0.11 -0.07 0.00 -1.73 0.00 0.00 68.15 66.49 3gr9 h THR 58 CO -0.02 0.25 -0.24 0.00 -0.25 0.00 0.00 175.52 175.26 3gr9 h ALA 59 N 1.40 -0.08 -0.73 6.62 0.00 -1.00 0.25 119.26 125.72 3gr9 h ALA 59 Ca 0.29 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 3gr9 h ALA 59 Cb -0.02 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3gr9 h ALA 59 CO -0.05 -0.65 0.23 -0.91 0.00 0.00 0.00 179.25 177.87 3gr9 h ASN 60 N -0.22 1.07 -0.01 0.00 2.35 -0.93 0.26 115.58 118.11 3gr9 h ASN 60 Ca 0.15 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3gr9 h ASN 60 Cb 0.45 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 3gr9 h ASN 60 CO -0.42 1.00 -0.46 0.25 -1.65 0.00 0.00 177.43 176.15 3gr9 h LEU 61 N 1.09 -1.40 -0.95 1.61 5.85 0.21 -1.66 115.31 120.06 3gr9 h LEU 61 Ca 0.24 0.17 -0.11 0.00 0.84 0.00 0.00 57.88 59.01 3gr9 h LEU 61 Cb 0.31 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3gr9 h LEU 61 CO -0.01 -0.48 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.12 3gr9 h LEU 62 N -0.61 0.23 -0.76 2.25 4.07 -0.51 -1.81 115.31 118.18 3gr9 h LEU 62 Ca 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 3gr9 h LEU 62 Cb 0.68 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 3gr9 h LEU 62 CO -0.34 0.63 0.45 -0.03 -1.08 0.00 0.00 178.44 178.07 3gr9 h MET 63 N 0.18 1.04 0.21 1.13 1.85 -0.53 0.60 114.93 119.42 3gr9 h MET 63 Ca 0.02 -0.10 -0.01 0.00 -0.61 0.00 0.00 59.70 59.00 3gr9 h MET 63 Cb 0.82 -0.21 0.00 0.00 0.43 0.00 0.00 31.60 32.64 3gr9 h MET 63 CO 0.06 0.74 -0.10 0.82 -0.40 0.00 0.00 176.91 178.03 3gr9 h ILE 64 N 1.04 0.77 -0.79 1.77 1.08 -0.98 -3.32 117.51 117.08 3gr9 h ILE 64 Ca 0.27 -0.95 0.11 0.00 -0.39 0.00 0.00 64.86 63.90 3gr9 h ILE 64 Cb -0.02 1.25 -0.13 0.00 -3.07 0.00 0.00 36.82 34.85 3gr9 h ILE 64 CO -0.05 0.18 -0.44 0.00 -0.69 0.00 0.00 178.15 177.15 3gr9 h ALA 65 N -0.30 -0.19 -0.98 1.87 0.00 -1.20 -2.50 119.26 115.95 3gr9 h ALA 65 Ca -0.03 0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.31 3gr9 h ALA 65 Cb 0.51 1.04 -0.18 0.00 0.00 0.00 0.00 17.79 19.17 3gr9 h ALA 65 CO 0.05 -0.78 -0.00 0.00 0.00 0.00 0.00 179.25 178.52 3gr9 h ALA 66 N 0.87 1.11 -0.05 0.00 0.00 -0.97 -0.02 119.26 120.19 3gr9 h ALA 66 Ca 0.23 0.34 0.01 0.00 0.00 0.00 0.00 54.91 55.50 3gr9 h ALA 66 Cb 0.55 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3gr9 h ALA 66 CO -0.83 -0.55 0.14 -0.07 0.00 0.00 0.00 179.25 177.94 3gr9 h LEU 67 N 0.01 0.00 0.00 0.00 3.38 -1.58 0.14 115.31 117.26 3gr9 h LEU 67 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 3gr9 h LEU 67 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3gr9 h LEU 67 CO -0.92 0.00 -0.18 -0.26 0.09 0.00 0.00 178.44 177.17 3gr9 h PHE 68 N 0.00 0.00 -0.21 1.13 -1.00 -1.14 -0.14 116.94 115.58 3gr9 h PHE 68 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3gr9 h PHE 68 Cb 0.31 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.87 3gr9 h PHE 68 CO 0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 3gr9 n PHE 69 N -2.47 0.26 -1.88 -0.55 3.72 0.49 -4.75 117.46 112.28 3gr9 n PHE 69 Ca 0.04 -0.17 -0.37 0.00 -0.05 0.00 0.00 57.45 56.91 3gr9 n PHE 69 Cb 0.46 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.05 3gr9 n PHE 69 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3gr9 s THR 70 N -1.34 2.33 0.44 4.37 -4.23 -1.20 -4.83 115.64 111.17 3gr9 s THR 70 Ca 0.27 0.21 0.11 0.00 -1.18 0.00 0.00 61.69 61.10 3gr9 s THR 70 Cb 0.17 -3.09 0.29 0.00 1.34 0.00 0.00 72.50 71.20 3gr9 s THR 70 CO 0.24 -0.03 2.05 0.11 -0.54 0.00 0.00 174.62 176.44 3gr9 h LYS 71 N 0.94 0.40 -3.57 3.99 1.57 -1.93 -1.10 116.57 116.88 3gr9 h LYS 71 Ca -0.51 -0.02 -0.77 0.00 -1.87 0.00 0.00 60.65 57.48 3gr9 h LYS 71 Cb 1.31 -0.09 -0.30 0.00 0.08 0.00 0.00 32.23 33.23 3gr9 h LYS 71 CO 0.55 0.27 0.19 0.21 -0.57 0.00 0.00 179.45 180.10 3gr9 s LYS 72 N -5.39 3.75 -0.25 3.15 2.47 -1.26 -5.00 119.74 117.21 3gr9 s LYS 72 Ca -0.07 -3.03 -0.38 0.00 -1.56 0.00 0.00 55.97 50.92 3gr9 s LYS 72 Cb 0.18 -4.33 -0.14 0.00 -1.46 0.00 0.00 37.83 32.07 3gr9 s LYS 72 CO 0.73 -1.25 1.82 -0.35 0.16 0.00 0.00 175.35 176.46 3gr9 n PRO 73 N 2.94 1.37 0.16 4.03 -0.05 -0.42 -4.83 135.00 138.20 3gr9 n PRO 73 Ca 0.20 0.49 0.06 0.00 -0.05 0.00 0.00 63.50 64.20 3gr9 n PRO 73 Cb 0.40 -2.25 0.07 0.00 -0.05 0.00 0.00 33.50 31.67 3gr9 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3gr9 h ARG 74 N 8.13 0.00 -5.16 0.54 3.08 -1.30 -3.46 114.38 116.22 3gr9 h ARG 74 Ca -0.45 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.22 3gr9 h ARG 74 Cb 1.31 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.14 3gr9 h ARG 74 CO 0.97 0.33 -0.77 -0.51 -1.07 0.00 0.00 179.97 178.91 3gr9 s LEU 75 N -6.35 2.27 0.21 3.04 1.43 -1.03 -5.03 118.68 113.23 3gr9 s LEU 75 Ca 0.05 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.55 3gr9 s LEU 75 Cb 0.07 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 3gr9 s LEU 75 CO 0.72 -0.11 0.13 -1.59 0.23 0.00 0.00 176.35 175.74 3gr9 s LYS 76 N -1.69 1.25 0.68 1.70 0.00 -1.26 -4.42 119.74 116.00 3gr9 s LYS 76 Ca -0.04 -1.66 -0.13 0.00 0.00 0.00 0.00 55.97 54.13 3gr9 s LYS 76 Cb -0.10 0.17 0.01 0.00 0.00 0.00 0.00 37.83 37.91 3gr9 s LYS 76 CO 0.02 -0.38 1.09 -1.59 0.00 0.00 0.00 175.35 174.49 3gr9 s LYS 77 N -4.12 2.77 0.00 1.78 -2.85 -1.26 -1.71 119.74 114.35 3gr9 s LYS 77 Ca 0.39 1.23 0.00 0.00 -1.00 0.00 0.00 55.97 56.59 3gr9 s LYS 77 Cb 0.07 -1.96 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 3gr9 s LYS 77 CO 0.13 -1.25 0.00 0.41 0.10 0.00 0.00 175.35 174.74 3gr9 n GLY 78 N -1.01 2.73 3.57 0.59 0.00 -0.12 -4.98 105.19 105.96 3gr9 n GLY 78 Ca 0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.62 3gr9 n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gr9 n ASP 79 N 0.56 1.16 -4.72 1.61 9.92 -0.69 -4.11 116.55 120.27 3gr9 n ASP 79 Ca 0.00 1.14 -0.39 0.00 -0.53 0.00 0.00 54.79 55.02 3gr9 n ASP 79 Cb 0.00 -1.20 -0.05 0.00 -0.64 0.00 0.00 41.12 39.23 3gr9 n ASP 79 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3gr9 s GLU 80 N -0.47 4.39 -0.02 -1.24 2.12 -1.25 -0.99 118.70 121.24 3gr9 s GLU 80 Ca 0.72 0.68 0.05 0.00 0.36 0.00 0.00 54.97 56.79 3gr9 s GLU 80 Cb -0.86 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.08 3gr9 s GLU 80 CO 0.53 0.12 -0.17 -1.50 -0.54 0.00 0.00 175.26 173.70 3gr9 s ILE 81 N 0.68 1.34 -0.20 -3.70 2.07 -0.23 -0.96 121.20 120.19 3gr9 s ILE 81 Ca 0.32 -0.71 -0.08 0.00 -1.41 0.00 0.00 60.65 58.78 3gr9 s ILE 81 Cb -0.17 -1.12 -0.04 0.00 0.13 0.00 0.00 42.46 41.26 3gr9 s ILE 81 CO 0.15 0.38 0.07 -0.63 -1.91 0.00 0.00 174.94 173.00 3gr9 s ILE 82 N -0.26 4.73 0.09 2.00 1.01 -0.67 -0.69 121.20 127.41 3gr9 s ILE 82 Ca 0.03 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.69 3gr9 s ILE 82 Cb -0.08 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 3gr9 s ILE 82 CO 0.00 0.42 -0.13 0.68 0.00 0.00 0.00 174.94 175.91 3gr9 s VAL 83 N 0.69 1.12 0.59 2.92 -7.23 -0.95 -1.15 120.40 116.39 3gr9 s VAL 83 Ca 0.04 -1.47 -0.16 0.00 -1.81 0.00 0.00 61.98 58.57 3gr9 s VAL 83 Cb -0.13 -1.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 3gr9 s VAL 83 CO 0.02 -0.35 1.07 -2.16 -0.31 0.00 0.00 175.10 173.37 3gr9 s PRO 84 N -2.19 3.29 0.30 4.82 0.04 -1.26 -2.68 135.00 137.31 3gr9 s PRO 84 Ca 0.02 1.29 0.22 0.00 0.04 0.00 0.00 61.00 62.57 3gr9 s PRO 84 Cb -0.07 -2.02 1.11 0.00 0.04 0.00 0.00 34.50 33.55 3gr9 s PRO 84 CO 0.02 -0.85 1.66 0.00 0.04 0.00 0.00 177.00 177.88 3gr9 n ALA 85 N -1.91 1.20 -3.99 8.56 0.00 -0.12 -4.62 120.51 119.62 3gr9 n ALA 85 Ca 0.09 0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 3gr9 n ALA 85 Cb 0.52 -1.33 -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 -3.49 1.64 0.27 0.00 1.01 -1.26 -2.17 120.40 116.41 3gr9 s VAL 86 Ca -0.01 -1.02 -0.20 0.00 0.00 0.00 0.00 61.98 60.76 3gr9 s VAL 86 Cb 0.07 -1.72 0.06 0.00 0.00 0.00 0.00 36.38 34.79 3gr9 s VAL 86 CO 0.24 0.16 0.90 -0.55 0.00 0.00 0.00 175.10 175.85 3gr9 s SER 87 N 1.39 -0.04 0.34 3.32 0.15 -1.26 -5.01 113.70 112.59 3gr9 s SER 87 Ca -0.02 -0.84 -0.28 0.00 0.70 0.00 0.00 55.95 55.52 3gr9 s SER 87 Cb -0.16 0.67 -0.09 0.00 -1.71 0.00 0.00 66.02 64.72 3gr9 s SER 87 CO -0.08 -1.31 1.18 0.86 1.20 0.00 0.00 173.24 175.09 3gr9 s TRP 88 N -2.49 3.23 0.32 3.44 -0.11 -1.26 -4.36 118.94 117.71 3gr9 s TRP 88 Ca 0.17 1.56 0.09 0.00 1.22 0.00 0.00 56.10 59.14 3gr9 s TRP 88 Cb -0.04 -3.43 0.92 0.00 -1.50 0.00 0.00 33.47 29.42 3gr9 s TRP 88 CO 0.08 -1.20 1.64 0.66 -4.62 0.00 0.00 176.95 173.50 3gr9 h SER 89 N 3.22 0.18 0.00 5.86 4.64 -2.00 0.13 113.55 125.58 3gr9 h SER 89 Ca -0.48 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3gr9 h SER 89 Cb 1.22 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 3gr9 h SER 89 CO 0.65 -0.19 0.00 0.35 -0.87 0.00 0.00 176.83 176.76 3gr9 n THR 90 N -5.19 0.00 0.09 2.95 -2.24 -1.26 -0.06 114.28 108.58 3gr9 n THR 90 Ca 0.27 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.89 3gr9 n THR 90 Cb 0.86 -0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.42 0.07 4.28 2.02 -1.11 -3.39 112.91 116.20 3gr9 h THR 91 Ca 0.00 -3.01 -0.18 0.00 0.77 0.00 0.00 66.41 63.99 3gr9 h THR 91 Cb 0.00 2.90 -0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3gr9 h THR 91 CO 0.00 0.87 -0.93 1.88 0.37 0.00 0.00 175.52 177.72 3gr9 h TYR 92 N 0.07 0.27 -0.92 3.16 0.05 -0.62 -3.41 116.97 115.56 3gr9 h TYR 92 Ca -0.16 -0.19 0.21 0.00 0.05 0.00 0.00 58.73 58.63 3gr9 h TYR 92 Cb 1.98 -0.01 -0.17 0.00 1.01 0.00 0.00 36.73 39.54 3gr9 h TYR 92 CO 0.06 1.36 -0.13 1.88 -1.05 0.00 0.00 178.16 180.29 3gr9 h TYR 93 N -0.62 -0.31 -0.46 4.88 0.05 -1.66 -1.99 116.97 116.85 3gr9 h TYR 93 Ca -0.21 0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.61 3gr9 h TYR 93 Cb 1.46 0.28 -0.02 0.00 1.01 0.00 0.00 36.73 39.46 3gr9 h TYR 93 CO 0.17 -0.39 0.12 -1.35 -1.05 0.00 0.00 178.16 175.67 3gr9 h PRO 94 N 0.02 0.69 -0.66 4.88 0.11 -1.82 0.43 132.00 135.64 3gr9 h PRO 94 Ca 0.48 -0.12 0.14 0.00 0.11 0.00 0.00 66.00 66.61 3gr9 h PRO 94 Cb 0.84 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 31.73 3gr9 h PRO 94 CO -0.91 0.62 0.09 -0.07 -0.21 0.00 0.00 178.00 177.53 3gr9 h LEU 95 N 0.67 -0.11 -0.40 2.35 3.38 -1.61 0.29 115.31 119.88 3gr9 h LEU 95 Ca 0.15 0.14 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 3gr9 h LEU 95 Cb 0.24 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3gr9 h LEU 95 CO -0.00 -0.06 -0.60 -0.61 0.09 0.00 0.00 178.44 177.25 3gr9 h GLN 96 N 0.20 0.66 0.00 1.13 -0.00 -1.06 -0.47 115.11 115.58 3gr9 h GLN 96 Ca 0.36 -0.45 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 3gr9 h GLN 96 Cb 0.59 0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.13 3gr9 h GLN 96 CO -0.50 1.07 0.00 1.04 0.00 0.00 0.00 178.83 180.44 3gr9 n GLN 97 N -3.96 0.17 -0.01 1.69 6.02 0.13 -2.61 117.38 118.82 3gr9 n GLN 97 Ca -0.04 0.15 0.05 0.00 -0.01 0.00 0.00 57.00 57.15 3gr9 n GLN 97 Cb 0.64 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.45 3gr9 n GLN 97 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3gr9 n TYR 98 N -1.35 0.03 -0.92 1.08 4.02 0.73 -4.98 117.16 115.76 3gr9 n TYR 98 Ca 0.07 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3gr9 n TYR 98 Cb 0.15 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 3gr9 n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gr9 n GLY 99 N 0.56 0.43 3.87 2.72 0.00 -1.03 -4.61 105.19 107.13 3gr9 n GLY 99 Ca 0.06 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 3.33 -0.18 0.99 1.43 -0.21 -0.94 118.68 123.10 3gr9 s LEU 100 Ca 0.00 1.38 -0.09 0.00 -1.03 0.00 0.00 54.13 54.38 3gr9 s LEU 100 Cb 0.00 -4.40 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 3gr9 s LEU 100 CO 0.00 -0.79 0.14 -0.60 0.23 0.00 0.00 176.35 175.33 3gr9 s ARG 101 N -4.97 3.98 -0.14 1.70 3.52 -0.16 -4.43 118.95 118.46 3gr9 s ARG 101 Ca 0.55 -0.18 -0.04 0.00 -0.13 0.00 0.00 55.73 55.93 3gr9 s ARG 101 Cb -0.11 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 3gr9 s ARG 101 CO 0.50 0.43 -0.01 0.08 -0.81 0.00 0.00 175.30 175.49 3gr9 s VAL 102 N -0.03 4.15 -0.20 7.11 1.01 0.92 -1.07 120.40 132.29 3gr9 s VAL 102 Ca 0.10 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3gr9 s VAL 102 Cb -0.11 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.48 3gr9 s VAL 102 CO -0.00 0.52 -0.16 -0.75 0.00 0.00 0.00 175.10 174.70 3gr9 s LYS 103 N 0.02 2.90 0.14 2.72 2.20 0.13 -0.03 119.74 127.82 3gr9 s LYS 103 Ca 0.02 -0.90 -0.07 0.00 -0.36 0.00 0.00 55.97 54.66 3gr9 s LYS 103 Cb -0.13 -2.68 -0.06 0.00 -1.51 0.00 0.00 37.83 33.45 3gr9 s LYS 103 CO 0.02 -0.28 0.41 -0.06 -0.36 0.00 0.00 175.35 175.09 3gr9 s PHE 104 N 1.28 3.49 -0.03 4.03 0.40 -0.28 -2.23 117.98 124.65 3gr9 s PHE 104 Ca 0.03 0.68 0.01 0.00 -0.60 0.00 0.00 56.93 57.04 3gr9 s PHE 104 Cb -0.14 -2.09 0.02 0.00 0.51 0.00 0.00 43.02 41.31 3gr9 s PHE 104 CO -0.10 0.43 -0.02 0.08 0.70 0.00 0.00 175.22 176.30 3gr9 s VAL 105 N -1.61 0.32 1.11 -0.44 1.01 -1.09 0.74 120.40 120.43 3gr9 s VAL 105 Ca 0.40 -0.04 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 3gr9 s VAL 105 Cb -0.12 -0.36 0.11 0.00 0.00 0.00 0.00 36.38 36.00 3gr9 s VAL 105 CO 0.22 0.16 -0.01 -0.67 0.00 0.00 0.00 175.10 174.80 3gr9 n ASP 106 N 3.84 -2.53 -4.61 3.32 -0.08 -1.26 -0.95 116.55 114.29 3gr9 n ASP 106 Ca -0.24 -0.18 -0.26 0.00 -1.51 0.00 0.00 54.79 52.60 3gr9 n ASP 106 Cb 0.52 -0.91 -0.08 0.00 2.34 0.00 0.00 41.12 42.99 3gr9 n ASP 106 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3gr9 s ILE 107 N -2.20 3.37 -0.16 5.18 -5.25 -1.26 -1.36 121.20 119.52 3gr9 s ILE 107 Ca 0.53 -1.66 -0.29 0.00 -0.99 0.00 0.00 60.65 58.24 3gr9 s ILE 107 Cb -0.10 -2.71 -0.01 0.00 2.95 0.00 0.00 42.46 42.59 3gr9 s ILE 107 CO 0.61 -0.17 1.24 -0.62 -1.79 0.00 0.00 174.94 174.22 3gr9 s ASP 108 N -3.04 6.96 0.28 4.36 -1.08 0.13 -4.58 116.67 119.70 3gr9 s ASP 108 Ca 0.27 1.68 0.01 0.00 -0.52 0.00 0.00 52.55 53.98 3gr9 s ASP 108 Cb -0.08 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.37 3gr9 s ASP 108 CO 0.17 -0.75 1.83 -0.29 0.52 0.00 0.00 175.17 176.66 3gr9 h ILE 109 N 5.46 0.92 0.21 4.11 -0.00 -1.93 1.59 117.51 127.87 3gr9 h ILE 109 Ca -0.26 -0.34 -0.01 0.00 -0.00 0.00 0.00 64.86 64.25 3gr9 h ILE 109 Cb 1.10 -0.15 0.00 0.00 -0.00 0.00 0.00 36.82 37.77 3gr9 h ILE 109 CO 0.97 0.18 -0.10 0.78 -0.00 0.00 0.00 178.15 179.98 3gr9 h ASN 110 N 0.99 -0.24 1.23 2.19 2.35 -1.91 -3.33 115.58 116.86 3gr9 h ASN 110 Ca 0.49 -0.29 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 3gr9 h ASN 110 Cb 0.47 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3gr9 h ASN 110 CO -0.26 0.24 -0.80 0.71 -1.65 0.00 0.00 177.43 175.66 3gr9 h THR 111 N -0.80 0.40 0.00 2.81 1.35 -1.75 -1.67 112.91 113.24 3gr9 h THR 111 Ca -0.03 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 3gr9 h THR 111 Cb 0.51 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3gr9 h THR 111 CO 0.05 0.23 0.00 0.18 -0.25 0.00 0.00 175.52 175.72 3gr9 n LEU 112 N -2.97 0.43 -5.00 3.87 4.77 0.54 -4.80 117.00 113.84 3gr9 n LEU 112 Ca -0.02 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 3gr9 n LEU 112 Cb 0.69 -0.94 0.06 0.00 -2.33 0.00 0.00 43.42 40.89 3gr9 n LEU 112 CO 0.40 -0.30 0.39 0.20 -1.33 0.00 0.00 177.39 176.74 3gr9 s ASN 113 N -2.33 4.99 0.20 -1.43 0.01 -1.25 -4.65 114.94 110.47 3gr9 s ASN 113 Ca 0.00 -0.38 -0.31 0.00 -0.71 0.00 0.00 52.86 51.46 3gr9 s ASN 113 Cb 0.00 -0.30 -0.15 0.00 0.41 0.00 0.00 41.25 41.21 3gr9 s ASN 113 CO 0.00 -1.37 1.07 0.00 -1.51 0.00 0.00 177.10 175.29 3gr9 n ILE 114 N -2.41 1.27 -2.23 0.60 3.06 -1.26 0.22 119.36 118.61 3gr9 n ILE 114 Ca 0.12 -0.32 -0.42 0.00 -2.50 0.00 0.00 62.75 59.63 3gr9 n ILE 114 Cb 0.60 -0.80 -0.03 0.00 0.54 0.00 0.00 39.64 39.95 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 -0.24 6.84 0.31 9.51 2.15 -0.47 -4.41 116.67 130.37 3gr9 s ASP 115 Ca 0.69 2.06 0.05 0.00 0.43 0.00 0.00 52.55 55.78 3gr9 s ASP 115 Cb -0.82 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 39.75 3gr9 s ASP 115 CO 0.55 -0.75 1.76 0.40 -0.17 0.00 0.00 175.17 176.96 3gr9 h ILE 116 N 5.10 1.26 0.00 4.11 5.03 -1.91 -1.88 117.51 129.22 3gr9 h ILE 116 Ca -0.36 -1.23 0.00 0.00 -0.12 0.00 0.00 64.86 63.15 3gr9 h ILE 116 Cb 1.17 1.41 0.00 0.00 -3.03 0.00 0.00 36.82 36.36 3gr9 h ILE 116 CO 0.92 0.38 0.00 -0.33 -0.68 0.00 0.00 178.15 178.44 3gr9 h GLU 117 N 0.32 0.00 0.07 2.37 4.39 -1.99 0.65 114.58 120.40 3gr9 h GLU 117 Ca 0.05 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.44 3gr9 h GLU 117 Cb 0.64 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 3gr9 h GLU 117 CO 0.05 0.00 -1.69 0.77 -1.16 0.00 0.00 179.01 176.98 3gr9 h SER 118 N 0.00 0.24 0.97 1.42 0.02 -1.86 -2.95 113.55 111.39 3gr9 h SER 118 Ca 0.00 -0.44 -0.05 0.00 -0.84 0.00 0.00 61.79 60.46 3gr9 h SER 118 Cb 0.62 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.09 3gr9 h SER 118 CO 0.00 1.38 -0.47 0.25 -1.14 0.00 0.00 176.83 176.85 3gr9 h LEU 119 N 0.04 -1.11 -0.83 5.07 5.85 -1.14 2.87 115.31 126.06 3gr9 h LEU 119 Ca -0.29 0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.65 3gr9 h LEU 119 Cb 2.01 0.29 -0.16 0.00 0.37 0.00 0.00 40.66 43.17 3gr9 h LEU 119 CO 0.11 -0.78 -0.15 1.17 -0.34 0.00 0.00 178.44 178.45 3gr9 n LYS 120 N -5.57 -0.07 0.13 1.25 4.81 0.20 -0.68 118.16 118.22 3gr9 n LYS 120 Ca -0.16 1.29 -0.06 0.00 -0.87 0.00 0.00 58.31 58.51 3gr9 n LYS 120 Cb 0.52 -1.96 -0.03 0.00 0.02 0.00 0.00 35.03 33.58 3gr9 n LYS 120 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3gr9 h GLU 121 N 0.00 -0.37 0.00 1.64 4.57 -1.18 -3.34 114.58 115.90 3gr9 h GLU 121 Ca 0.43 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 3gr9 h GLU 121 Cb 0.73 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3gr9 h GLU 121 CO -0.84 -0.25 0.59 0.00 -1.18 0.00 0.00 179.01 177.34 3gr9 h ALA 122 N -1.40 1.54 -2.73 2.92 0.00 0.74 -3.42 119.26 116.91 3gr9 h ALA 122 Ca -0.04 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.30 3gr9 h ALA 122 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3gr9 h ALA 122 CO 0.06 -0.54 -0.02 0.08 0.00 0.00 0.00 179.25 178.84 3gr9 s VAL 123 N -3.75 4.84 0.00 0.00 1.01 -0.17 -5.00 120.40 117.33 3gr9 s VAL 123 Ca -0.01 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.20 3gr9 s VAL 123 Cb 0.04 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3gr9 s VAL 123 CO 0.12 0.47 0.00 0.35 0.00 0.00 0.00 175.10 176.04 3gr9 n THR 124 N 2.35 0.00 0.20 3.92 -2.24 -1.26 -5.01 114.28 112.24 3gr9 n THR 124 Ca -0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.81 3gr9 n THR 124 Cb 0.51 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.00 0.00 -0.13 3.42 3.32 -2.01 -2.33 116.42 118.69 3gr9 h ASP 125 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gr9 h ASP 125 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gr9 h ASP 125 CO 0.00 0.02 0.00 -0.24 -1.72 0.00 0.00 179.24 177.30 3gr9 n SER 126 N -3.05 0.76 -4.51 6.45 2.88 -1.26 -4.73 113.62 110.16 3gr9 n SER 126 Ca 0.03 -1.92 -0.43 0.00 -1.33 0.00 0.00 58.87 55.23 3gr9 n SER 126 Cb 0.54 -0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.84 3gr9 n SER 126 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3gr9 s THR 127 N -1.83 4.98 0.03 2.46 2.01 -0.88 -3.94 115.64 118.47 3gr9 s THR 127 Ca 0.13 -0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.19 3gr9 s THR 127 Cb 0.07 -4.08 -0.22 0.00 0.01 0.00 0.00 72.50 68.27 3gr9 s THR 127 CO 0.10 -0.45 0.92 0.11 -0.69 0.00 0.00 174.62 174.61 3gr9 h LYS 128 N 8.73 0.01 -2.77 4.92 1.79 -1.34 -3.43 116.57 124.48 3gr9 h LYS 128 Ca -0.26 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.27 3gr9 h LYS 128 Cb 1.11 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.69 3gr9 h LYS 128 CO 0.83 0.73 0.31 0.00 -1.08 0.00 0.00 179.45 180.24 3gr9 s ALA 129 N -2.64 -1.45 -0.19 3.86 0.00 -1.06 -1.27 121.76 119.01 3gr9 s ALA 129 Ca -0.03 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 3gr9 s ALA 129 Cb 0.09 0.77 0.06 0.00 0.00 0.00 0.00 23.12 24.04 3gr9 s ALA 129 CO 0.82 -0.96 0.06 0.42 0.00 0.00 0.00 175.76 176.10 3gr9 s ILE 130 N -3.66 0.30 -0.56 0.00 1.01 0.68 -1.67 121.20 117.30 3gr9 s ILE 130 Ca 0.09 -0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.07 3gr9 s ILE 130 Cb -0.04 -0.88 0.05 0.00 0.01 0.00 0.00 42.46 41.60 3gr9 s ILE 130 CO 0.01 -0.25 0.91 -0.22 0.00 0.00 0.00 174.94 175.39 3gr9 s LEU 131 N 1.96 4.21 0.25 2.97 2.96 -0.30 -1.66 118.68 129.07 3gr9 s LEU 131 Ca 0.00 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3gr9 s LEU 131 Cb -0.17 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 3gr9 s LEU 131 CO -0.09 -1.21 0.46 0.42 -1.32 0.00 0.00 176.35 174.61 3gr9 s THR 132 N 3.82 5.13 -0.06 3.68 -4.23 0.19 -4.24 115.64 119.94 3gr9 s THR 132 Ca 0.28 -0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 3gr9 s THR 132 Cb -0.14 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.96 3gr9 s THR 132 CO 0.18 -0.26 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.14 3gr9 s VAL 133 N -1.99 1.42 -0.48 2.29 1.01 -1.26 0.06 120.40 121.45 3gr9 s VAL 133 Ca 0.40 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 3gr9 s VAL 133 Cb -0.11 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 35.08 3gr9 s VAL 133 CO 0.30 0.41 0.61 0.20 0.00 0.00 0.00 175.10 176.62 3gr9 s ASN 134 N 0.25 6.24 0.09 3.32 0.01 -1.17 -4.75 114.94 118.92 3gr9 s ASN 134 Ca -0.09 -0.79 -0.30 0.00 -0.71 0.00 0.00 52.86 50.97 3gr9 s ASN 134 Cb -0.13 -2.29 -0.06 0.00 0.41 0.00 0.00 41.25 39.18 3gr9 s ASN 134 CO 0.03 -0.84 1.09 -0.22 -1.51 0.00 0.00 177.10 175.66 3gr9 s LEU 135 N 2.60 4.42 -1.43 0.60 2.96 -1.19 -4.17 118.68 122.47 3gr9 s LEU 135 Ca 0.16 1.93 -0.14 0.00 -0.22 0.00 0.00 54.13 55.86 3gr9 s LEU 135 Cb -0.18 -3.59 0.12 0.00 0.50 0.00 0.00 46.19 43.05 3gr9 s LEU 135 CO 0.13 -0.30 0.59 0.18 -1.32 0.00 0.00 176.35 175.63 3gr9 n LEU 136 N 3.31 -1.39 0.00 -0.68 4.77 -1.26 -0.94 117.00 120.80 3gr9 n LEU 136 Ca 0.06 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3gr9 n LEU 136 Cb 0.48 -1.95 0.00 0.00 -2.33 0.00 0.00 43.42 39.62 3gr9 n LEU 136 CO 0.54 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3gr9 n GLY 137 N -1.19 1.16 3.64 -0.72 0.00 -1.09 -1.85 105.19 105.14 3gr9 n GLY 137 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.10 6.69 0.56 1.61 2.47 -0.12 -0.84 114.94 123.21 3gr9 s ASN 138 Ca 0.00 0.85 -0.18 0.00 0.42 0.00 0.00 52.86 53.95 3gr9 s ASN 138 Cb 0.00 -2.38 -0.05 0.00 -1.45 0.00 0.00 41.25 37.37 3gr9 s ASN 138 CO 0.00 -0.42 1.09 -2.16 -3.72 0.00 0.00 177.10 171.89 3gr9 s PRO 139 N 2.58 3.36 0.58 0.43 0.04 -1.24 -3.19 135.00 137.56 3gr9 s PRO 139 Ca 0.30 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 3gr9 s PRO 139 Cb -0.15 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3gr9 s PRO 139 CO 0.08 -0.81 1.05 -0.80 0.04 0.00 0.00 177.00 176.56 3gr9 s ASN 140 N -2.10 5.91 -1.06 6.66 0.01 -1.26 -4.66 114.94 118.43 3gr9 s ASN 140 Ca 0.69 1.80 -0.22 0.00 -0.71 0.00 0.00 52.86 54.42 3gr9 s ASN 140 Cb -0.20 -2.53 0.06 0.00 0.41 0.00 0.00 41.25 38.98 3gr9 s ASN 140 CO 0.29 -1.08 1.48 0.21 -1.51 0.00 0.00 177.10 176.49 3gr9 s ASN 141 N -2.75 6.57 0.00 -1.22 3.84 -1.26 -4.80 114.94 115.32 3gr9 s ASN 141 Ca 0.63 -1.67 0.05 0.00 0.21 0.00 0.00 52.86 52.08 3gr9 s ASN 141 Cb -0.15 -2.56 0.23 0.00 -0.55 0.00 0.00 41.25 38.21 3gr9 s ASN 141 CO 0.35 -1.42 1.08 0.49 -2.79 0.00 0.00 177.10 174.82 3gr9 n PHE 142 N 8.61 0.00 0.11 0.43 3.72 -1.26 -2.91 117.46 126.17 3gr9 n PHE 142 Ca 0.35 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.70 3gr9 n PHE 142 Cb 0.50 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 3gr9 n PHE 142 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3gr9 h ASP 143 N 0.00 -0.30 0.05 4.37 3.32 -2.00 -2.79 116.42 119.07 3gr9 h ASP 143 Ca 0.00 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.08 3gr9 h ASP 143 Cb 0.07 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 3gr9 h ASP 143 CO 0.00 0.08 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.03 3gr9 h GLU 144 N -0.95 -0.39 -0.94 3.56 5.08 -1.97 -0.97 114.58 118.00 3gr9 h GLU 144 Ca -0.04 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.54 3gr9 h GLU 144 Cb 0.27 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 29.43 3gr9 h GLU 144 CO 0.06 -0.26 -0.24 -0.89 -1.00 0.00 0.00 179.01 176.68 3gr9 n ILE 145 N -5.36 -0.40 -0.06 3.13 2.08 -1.14 0.13 119.36 117.73 3gr9 n ILE 145 Ca -0.06 2.16 -0.08 0.00 0.56 0.00 0.00 62.75 65.33 3gr9 n ILE 145 Cb 0.27 -2.98 -0.01 0.00 -0.75 0.00 0.00 39.64 36.17 3gr9 n ILE 145 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 3gr9 h ASN 146 N 0.00 0.04 0.08 4.38 2.35 -0.91 0.37 115.58 121.89 3gr9 h ASN 146 Ca 0.45 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 56.24 3gr9 h ASN 146 Cb 0.68 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 3gr9 h ASN 146 CO -0.97 0.05 -0.38 0.11 -1.65 0.00 0.00 177.43 174.60 3gr9 h LYS 147 N 0.16 -0.51 -1.40 0.81 1.57 0.17 0.56 116.57 117.94 3gr9 h LYS 147 Ca 0.11 0.04 0.41 0.00 -1.87 0.00 0.00 60.65 59.34 3gr9 h LYS 147 Cb 0.10 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 3gr9 h LYS 147 CO -0.14 -0.34 0.98 0.82 -0.57 0.00 0.00 179.45 180.20 3gr9 h ILE 148 N -0.53 0.27 -0.00 1.86 2.04 0.35 3.55 117.51 125.03 3gr9 h ILE 148 Ca -0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3gr9 h ILE 148 Cb 0.54 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3gr9 h ILE 148 CO -0.20 0.01 -0.07 -0.38 0.00 0.00 0.00 178.15 177.51 3gr9 n ILE 149 N -4.27 0.00 0.00 -0.67 5.41 0.17 -4.84 119.36 115.16 3gr9 n ILE 149 Ca 0.33 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 64.06 3gr9 n ILE 149 Cb 1.43 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 40.03 3gr9 n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gr9 n GLY 150 N 1.36 2.19 0.00 7.39 0.00 1.18 -0.15 105.19 117.15 3gr9 n GLY 150 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.39 3.01 -0.02 0.00 -1.26 -4.70 105.19 102.62 3gr9 n GLY 151 Ca 0.00 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 3gr9 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gr9 n ARG 152 N 0.00 -0.06 -2.30 1.61 5.12 0.79 -4.77 116.66 117.05 3gr9 n ARG 152 Ca 0.00 -0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.49 3gr9 n ARG 152 Cb 0.00 -1.03 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 3gr9 n ARG 152 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3gr9 n ASP 153 N 3.27 6.97 -4.59 0.55 -0.08 -1.26 -4.98 116.55 116.44 3gr9 n ASP 153 Ca -0.02 -3.25 -0.35 0.00 -1.51 0.00 0.00 54.79 49.66 3gr9 n ASP 153 Cb 0.70 -1.35 -0.11 0.00 2.34 0.00 0.00 41.12 42.70 3gr9 n ASP 153 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3gr9 s ILE 154 N -1.42 4.71 0.49 5.18 1.01 -1.26 -4.86 121.20 125.05 3gr9 s ILE 154 Ca 0.45 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.85 3gr9 s ILE 154 Cb 0.15 -3.15 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 3gr9 s ILE 154 CO -0.05 0.41 1.04 -0.63 0.00 0.00 0.00 174.94 175.72 3gr9 s ILE 155 N 0.77 3.75 -0.16 2.92 1.01 -0.39 -4.88 121.20 124.22 3gr9 s ILE 155 Ca 0.04 1.08 -0.00 0.00 0.00 0.00 0.00 60.65 61.77 3gr9 s ILE 155 Cb -0.13 -3.44 0.04 0.00 0.01 0.00 0.00 42.46 38.94 3gr9 s ILE 155 CO 0.02 -0.24 -0.06 -0.22 0.00 0.00 0.00 174.94 174.44 3gr9 s LEU 156 N -3.53 1.63 0.12 2.97 2.96 -1.26 -0.23 118.68 121.33 3gr9 s LEU 156 Ca 0.68 -0.65 0.09 0.00 -0.22 0.00 0.00 54.13 54.03 3gr9 s LEU 156 Cb -0.17 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 3gr9 s LEU 156 CO 0.21 -0.17 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.13 3gr9 s LEU 157 N 1.62 2.73 -0.12 -0.68 1.43 -0.66 0.12 118.68 123.12 3gr9 s LEU 157 Ca 0.01 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3gr9 s LEU 157 Cb -0.15 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.52 3gr9 s LEU 157 CO -0.08 0.17 -0.19 -1.61 0.23 0.00 0.00 176.35 174.88 3gr9 s GLU 158 N -2.19 2.62 -0.48 1.70 2.02 -1.08 0.53 118.70 121.81 3gr9 s GLU 158 Ca 0.19 -0.71 -0.19 0.00 0.02 0.00 0.00 54.97 54.27 3gr9 s GLU 158 Cb -0.10 -2.16 0.05 0.00 0.10 0.00 0.00 34.13 32.01 3gr9 s GLU 158 CO 0.11 -0.03 0.62 0.34 0.02 0.00 0.00 175.26 176.31 3gr9 s ASP 159 N 0.89 6.24 -0.25 -0.19 2.15 0.11 -1.75 116.67 123.88 3gr9 s ASP 159 Ca -0.07 -0.76 0.11 0.00 0.43 0.00 0.00 52.55 52.27 3gr9 s ASP 159 Cb -0.15 -2.29 0.49 0.00 -0.30 0.00 0.00 42.92 40.66 3gr9 s ASP 159 CO -0.02 -0.84 1.41 -3.20 -0.17 0.00 0.00 175.17 172.35 3gr9 n ASN 160 N 6.16 2.67 0.10 -0.34 5.15 -0.27 -3.06 115.26 125.67 3gr9 n ASN 160 Ca -0.05 -3.60 0.08 0.00 -0.60 0.00 0.00 54.58 50.42 3gr9 n ASN 160 Cb 0.46 -0.60 0.40 0.00 -0.53 0.00 0.00 39.78 39.52 3gr9 n ASN 160 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gr9 n GLU 162 N -1.98 0.54 -2.40 0.00 1.02 -1.26 -4.31 120.64 112.25 3gr9 n GLU 162 Ca 0.01 -0.13 -0.27 0.00 -0.02 0.00 0.00 57.16 56.74 3gr9 n GLU 162 Cb 0.11 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3gr9 n GLU 162 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3gr9 n SER 163 N -2.00 4.83 -4.73 1.62 7.64 -1.03 -2.67 113.62 117.28 3gr9 n SER 163 Ca -0.03 -3.73 -0.42 0.00 1.01 0.00 0.00 58.87 55.71 3gr9 n SER 163 Cb 0.39 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 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 -3.56 4.21 0.00 1.43 -2.45 -1.24 -2.73 119.30 114.96 3gr9 s MET 164 Ca 0.49 2.39 0.00 0.00 -1.25 0.00 0.00 55.69 57.31 3gr9 s MET 164 Cb 0.40 -3.12 0.00 0.00 1.25 0.00 0.00 34.83 33.36 3gr9 s MET 164 CO -0.16 -0.58 0.00 0.41 1.05 0.00 0.00 175.02 175.74 3gr9 n GLY 165 N 3.25 3.28 3.72 2.11 0.00 -1.26 -4.76 105.19 111.52 3gr9 n GLY 165 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3gr9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gr9 s ALA 166 N -2.57 2.08 0.15 4.61 0.00 -1.10 -4.86 121.76 120.06 3gr9 s ALA 166 Ca 0.00 0.86 0.02 0.00 0.00 0.00 0.00 51.96 52.84 3gr9 s ALA 166 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3gr9 s ALA 166 CO 0.00 -1.94 -0.02 0.95 0.00 0.00 0.00 175.76 174.75 3gr9 s THR 167 N -2.02 0.68 -0.21 0.00 -4.23 -0.73 -1.60 115.64 107.52 3gr9 s THR 167 Ca 0.74 -1.97 -0.05 0.00 -1.18 0.00 0.00 61.69 59.23 3gr9 s THR 167 Cb -0.29 -1.98 0.10 0.00 1.34 0.00 0.00 72.50 71.67 3gr9 s THR 167 CO 0.46 -0.60 0.40 0.12 -0.54 0.00 0.00 174.62 174.47 3gr9 s PHE 168 N -3.65 -0.80 -1.36 3.99 5.36 0.82 -1.49 117.98 120.85 3gr9 s PHE 168 Ca 0.20 1.30 -0.07 0.00 -0.96 0.00 0.00 56.93 57.40 3gr9 s PHE 168 Cb 0.06 0.21 0.01 0.00 -0.34 0.00 0.00 43.02 42.95 3gr9 s PHE 168 CO 0.01 -0.55 0.89 0.09 -1.46 0.00 0.00 175.22 174.20 3gr9 n ASN 169 N 5.38 -6.04 -3.41 6.13 4.13 -1.26 -1.49 115.26 118.70 3gr9 n ASN 169 Ca -0.07 -0.41 -0.24 0.00 1.68 0.00 0.00 54.58 55.55 3gr9 n ASN 169 Cb 0.50 -4.75 0.06 0.00 -1.54 0.00 0.00 39.78 34.04 3gr9 n ASN 169 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3gr9 n ASN 170 N -2.55 -6.14 -4.12 6.41 5.03 -1.26 -4.98 115.26 107.66 3gr9 n ASN 170 Ca -0.04 -0.46 -0.19 0.00 0.87 0.00 0.00 54.58 54.76 3gr9 n ASN 170 Cb 0.58 -4.88 -0.13 0.00 -1.02 0.00 0.00 39.78 34.33 3gr9 n ASN 170 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3gr9 s LYS 171 N -6.11 0.86 0.09 3.52 2.20 -0.55 -5.11 119.74 114.63 3gr9 s LYS 171 Ca 0.49 -0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 55.08 3gr9 s LYS 171 Cb -0.22 -0.84 -0.06 0.00 -1.51 0.00 0.00 37.83 35.20 3gr9 s LYS 171 CO 0.60 0.21 0.92 0.00 -0.36 0.00 0.00 175.35 176.72 3gr9 s ALA 173 N 0.02 2.35 0.00 0.00 0.00 -0.63 -1.80 121.76 121.70 3gr9 s ALA 173 Ca 0.45 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3gr9 s ALA 173 Cb -0.23 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3gr9 s ALA 173 CO 0.28 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.98 3gr9 n GLY 174 N 0.13 1.72 0.21 0.00 0.00 -1.26 -4.85 105.19 101.14 3gr9 n GLY 174 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 3gr9 n GLY 174 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gr9 n THR 175 N -2.00 0.00 0.07 2.61 -2.24 -0.74 -3.69 114.28 108.29 3gr9 n THR 175 Ca 0.00 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.44 3gr9 n THR 175 Cb 0.00 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 69.24 3gr9 n THR 175 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3gr9 h PHE 176 N 1.02 0.10 -4.30 4.78 -1.00 -1.89 -3.47 116.94 112.18 3gr9 h PHE 176 Ca 0.00 -0.07 -0.46 0.00 2.81 0.00 0.00 57.97 60.25 3gr9 h PHE 176 Cb 0.46 -0.01 0.13 0.00 3.61 0.00 0.00 35.95 40.14 3gr9 h PHE 176 CO 0.00 1.02 0.40 0.20 -1.61 0.00 0.00 178.31 178.33 3gr9 s GLY 177 N -4.67 1.68 0.41 -1.45 0.00 -1.25 -4.90 107.32 97.13 3gr9 s GLY 177 Ca -0.00 -0.91 0.29 0.00 0.00 0.00 0.00 44.72 44.10 3gr9 s GLY 177 CO 0.83 -0.31 1.88 -2.00 0.00 0.00 0.00 173.10 173.50 3gr9 h LEU 178 N -1.27 0.00 -7.00 0.66 5.85 0.64 -3.43 115.31 110.76 3gr9 h LEU 178 Ca -0.45 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3gr9 h LEU 178 Cb 1.29 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.18 3gr9 h LEU 178 CO 0.54 0.00 0.24 -0.04 -0.34 0.00 0.00 178.44 178.84 3gr9 s MET 179 N -3.57 1.19 -0.06 1.25 -1.94 -1.26 -4.66 119.30 110.25 3gr9 s MET 179 Ca 0.01 -0.32 -0.04 0.00 -1.71 0.00 0.00 55.69 53.63 3gr9 s MET 179 Cb 0.09 0.55 0.02 0.00 2.01 0.00 0.00 34.83 37.50 3gr9 s MET 179 CO 0.41 -0.50 0.14 0.20 -0.01 0.00 0.00 175.02 175.27 3gr9 s GLY 180 N -2.43 -0.08 0.06 -0.03 0.00 -1.01 -2.63 107.32 101.19 3gr9 s GLY 180 Ca -0.01 0.48 0.06 0.00 0.00 0.00 0.00 44.72 45.25 3gr9 s GLY 180 CO -0.08 0.54 -0.11 -0.51 0.00 0.00 0.00 173.10 172.93 3gr9 s THR 181 N 0.41 3.29 0.16 0.90 -4.23 -0.71 -1.63 115.64 113.83 3gr9 s THR 181 Ca -0.03 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 3gr9 s THR 181 Cb -0.04 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 3gr9 s THR 181 CO -0.02 0.26 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.90 3gr9 s PHE 182 N -1.07 1.26 -0.00 3.99 0.40 -1.11 -1.11 117.98 120.35 3gr9 s PHE 182 Ca 0.18 -0.84 0.04 0.00 -0.60 0.00 0.00 56.93 55.71 3gr9 s PHE 182 Cb -0.11 -0.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.73 3gr9 s PHE 182 CO 0.09 -0.01 -0.13 0.45 0.70 0.00 0.00 175.22 176.33 3gr9 s SER 183 N -3.18 1.48 -0.26 1.36 0.15 -1.26 -2.01 113.70 109.98 3gr9 s SER 183 Ca 0.19 -0.26 0.10 0.00 0.70 0.00 0.00 55.95 56.68 3gr9 s SER 183 Cb 0.04 -0.15 0.46 0.00 -1.71 0.00 0.00 66.02 64.65 3gr9 s SER 183 CO 0.02 0.13 1.19 -1.54 1.20 0.00 0.00 173.24 174.24 3gr9 n SER 184 N 2.65 3.89 -4.79 5.45 3.41 0.24 -4.74 113.62 119.73 3gr9 n SER 184 Ca -0.15 -3.55 -0.30 0.00 -0.26 0.00 0.00 58.87 54.62 3gr9 n SER 184 Cb 0.56 -0.39 0.09 0.00 -0.26 0.00 0.00 64.21 64.21 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 -3.46 2.76 0.01 7.33 5.36 -1.25 -1.65 117.98 127.09 3gr9 s PHE 185 Ca 0.46 1.24 -0.03 0.00 -0.96 0.00 0.00 56.93 57.64 3gr9 s PHE 185 Cb 0.39 -3.09 -0.01 0.00 -0.34 0.00 0.00 43.02 39.98 3gr9 s PHE 185 CO 0.01 -1.80 0.55 0.98 -1.46 0.00 0.00 175.22 173.49 3gr9 n TYR 186 N -3.47 -0.04 -1.47 10.12 9.36 -1.10 -4.56 117.16 126.00 3gr9 n TYR 186 Ca 0.07 0.11 -0.30 0.00 3.32 0.00 0.00 57.90 61.11 3gr9 n TYR 186 Cb 0.55 -0.30 -0.06 0.00 -0.63 0.00 0.00 39.34 38.90 3gr9 n TYR 186 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3gr9 n ASN 187 N -2.89 7.11 -0.04 2.98 6.94 -1.26 -4.74 115.26 123.37 3gr9 n ASN 187 Ca 0.00 -2.88 -0.13 0.00 -0.02 0.00 0.00 54.58 51.55 3gr9 n ASN 187 Cb 0.02 -1.38 -0.11 0.00 -2.36 0.00 0.00 39.78 35.95 3gr9 n ASN 187 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 3gr9 h HIS 189 N 3.87 -0.00 -3.42 -2.53 3.86 -1.86 -3.49 115.15 111.57 3gr9 h HIS 189 Ca 0.54 -0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.42 3gr9 h HIS 189 Cb 0.70 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.02 3gr9 h HIS 189 CO 1.67 0.70 -0.70 0.96 0.86 0.00 0.00 177.93 181.42 3gr9 s ILE 190 N -3.41 1.08 -0.03 2.45 -4.36 -1.26 -5.02 121.20 110.64 3gr9 s ILE 190 Ca -0.17 -2.04 -0.04 0.00 -0.26 0.00 0.00 60.65 58.14 3gr9 s ILE 190 Cb -0.00 -1.97 0.01 0.00 1.25 0.00 0.00 42.46 41.74 3gr9 s ILE 190 CO 0.68 -0.64 0.11 0.00 0.24 0.00 0.00 174.94 175.33 3gr9 s ALA 191 N -3.39 -0.26 -0.27 2.27 0.00 -1.26 -4.31 121.76 114.54 3gr9 s ALA 191 Ca 0.20 0.23 0.18 0.00 0.00 0.00 0.00 51.96 52.57 3gr9 s ALA 191 Cb 0.04 -0.14 0.49 0.00 0.00 0.00 0.00 23.12 23.51 3gr9 s ALA 191 CO 0.02 -0.07 1.13 0.25 0.00 0.00 0.00 175.76 177.09 3gr9 n THR 192 N 2.79 1.63 0.00 0.00 -2.24 -0.66 -4.74 114.28 111.07 3gr9 n THR 192 Ca -0.14 -3.31 0.00 0.00 -2.27 0.00 0.00 64.05 58.33 3gr9 n THR 192 Cb 0.59 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.62 0.00 -4.04 -0.78 2.81 -1.26 -4.57 117.12 108.66 3gr9 n MET 193 Ca 0.18 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.97 3gr9 n MET 193 Cb 0.85 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 33.25 3gr9 n MET 193 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gr9 s GLU 194 N 0.00 0.49 0.00 0.03 2.02 -1.26 -2.70 118.70 117.28 3gr9 s GLU 194 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.16 3gr9 s GLU 194 Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.19 3gr9 s GLU 194 CO 0.00 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.67 3gr9 n GLY 195 N 1.15 2.71 3.72 -1.39 0.00 -1.14 -4.87 105.19 105.36 3gr9 n GLY 195 Ca -0.21 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 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 0.10 0.31 -0.02 0.00 -0.99 0.81 107.32 107.53 3gr9 s GLY 196 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.26 3gr9 s GLY 196 CO 0.00 -0.28 0.35 0.00 0.00 0.00 0.00 173.10 173.17 3gr9 s ILE 198 N -3.40 0.01 0.08 0.00 1.01 0.00 -2.73 121.20 116.17 3gr9 s ILE 198 Ca 0.35 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.98 3gr9 s ILE 198 Cb 0.02 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 3gr9 s ILE 198 CO 0.22 -0.04 -0.14 0.68 0.00 0.00 0.00 174.94 175.66 3gr9 s VAL 199 N -0.05 1.13 -0.19 2.92 -7.23 -0.65 0.03 120.40 116.36 3gr9 s VAL 199 Ca -0.02 -1.35 -0.33 0.00 -1.81 0.00 0.00 61.98 58.47 3gr9 s VAL 199 Cb -0.02 -1.12 0.14 0.00 0.56 0.00 0.00 36.38 35.95 3gr9 s VAL 199 CO 0.01 -0.24 1.19 0.28 -0.31 0.00 0.00 175.10 176.02 3gr9 s THR 200 N -1.36 0.00 -1.47 5.32 -1.32 -0.83 -2.42 115.64 113.57 3gr9 s THR 200 Ca -0.01 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.61 3gr9 s THR 200 Cb -0.09 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.17 3gr9 s THR 200 CO 0.02 0.00 1.16 0.47 -2.21 0.00 0.00 174.62 174.07 3gr9 n ASP 201 N 0.08 2.75 -4.56 8.08 8.00 -1.26 -1.27 116.55 128.37 3gr9 n ASP 201 Ca -0.01 -1.82 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 3gr9 n ASP 201 Cb 0.58 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 3gr9 n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gr9 s ASP 202 N -1.09 6.43 0.33 -2.24 -1.08 -1.26 -4.90 116.67 112.86 3gr9 s ASP 202 Ca 0.24 0.02 0.12 0.00 -0.52 0.00 0.00 52.55 52.42 3gr9 s ASP 202 Cb 0.14 -2.36 0.56 0.00 -1.46 0.00 0.00 42.92 39.80 3gr9 s ASP 202 CO 0.19 -0.77 1.72 -0.08 0.52 0.00 0.00 175.17 176.76 3gr9 h GLU 203 N 8.71 0.00 0.59 4.34 4.81 -1.98 -0.03 114.58 131.03 3gr9 h GLU 203 Ca -0.25 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 3gr9 h GLU 203 Cb 1.10 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.48 3gr9 h GLU 203 CO 0.90 0.48 -0.28 1.49 -0.73 0.00 0.00 179.01 180.87 3gr9 h GLU 204 N 0.00 -0.76 -0.54 1.92 4.81 -1.93 -1.80 114.58 116.28 3gr9 h GLU 204 Ca -0.00 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.37 3gr9 h GLU 204 Cb 0.87 0.17 -0.11 0.00 0.63 0.00 0.00 28.75 30.32 3gr9 h GLU 204 CO 0.06 -0.51 -0.35 0.82 -0.73 0.00 0.00 179.01 178.31 3gr9 h ILE 205 N -1.10 0.17 -0.84 2.32 1.08 -1.94 0.35 117.51 117.55 3gr9 h ILE 205 Ca -0.08 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.57 3gr9 h ILE 205 Cb 0.61 0.17 -0.11 0.00 -3.07 0.00 0.00 36.82 34.42 3gr9 h ILE 205 CO 0.13 0.00 0.36 0.22 -0.69 0.00 0.00 178.15 178.17 3gr9 h TYR 206 N -0.20 0.61 -0.13 1.37 3.20 -1.00 0.47 116.97 121.29 3gr9 h TYR 206 Ca 0.21 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 3gr9 h TYR 206 Cb 0.55 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 3gr9 h TYR 206 CO -0.62 0.02 -0.08 0.45 -1.64 0.00 0.00 178.16 176.29 3gr9 h HIS 207 N 0.44 0.32 -0.23 -3.82 3.86 0.49 -2.53 115.15 113.69 3gr9 h HIS 207 Ca 0.49 -0.09 0.06 0.00 -1.16 0.00 0.00 60.37 59.68 3gr9 h HIS 207 Cb 0.85 -0.07 -0.07 0.00 1.06 0.00 0.00 27.41 29.17 3gr9 h HIS 207 CO -0.15 0.64 -0.25 0.82 0.86 0.00 0.00 177.93 179.84 3gr9 h ILE 208 N -0.08 0.37 -0.77 2.45 2.04 0.74 -1.09 117.51 121.16 3gr9 h ILE 208 Ca 0.03 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.06 3gr9 h ILE 208 Cb 0.56 0.37 -0.11 0.00 -0.74 0.00 0.00 36.82 36.90 3gr9 h ILE 208 CO 0.02 0.00 0.20 -0.07 0.00 0.00 0.00 178.15 178.31 3gr9 h LEU 209 N -0.27 0.04 -1.94 1.44 3.38 0.03 0.67 115.31 118.67 3gr9 h LEU 209 Ca 0.13 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.27 3gr9 h LEU 209 Cb 0.47 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3gr9 h LEU 209 CO -0.39 -0.04 0.09 -0.07 0.09 0.00 0.00 178.44 178.12 3gr9 h LEU 210 N 0.28 0.07 0.11 1.67 3.38 -0.78 -1.60 115.31 118.44 3gr9 h LEU 210 Ca 0.44 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 3gr9 h LEU 210 Cb 0.78 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3gr9 h LEU 210 CO -0.53 0.05 -0.05 0.00 0.09 0.00 0.00 178.44 178.00 3gr9 n ILE 212 N -3.95 0.39 0.16 0.00 -5.35 -0.21 -2.15 119.36 108.25 3gr9 n ILE 212 Ca -0.02 0.10 0.09 0.00 -0.27 0.00 0.00 62.75 62.65 3gr9 n ILE 212 Cb 0.06 -0.89 0.08 0.00 -1.74 0.00 0.00 39.64 37.14 3gr9 n ILE 212 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3gr9 h ARG 213 N 0.00 0.00 -2.31 6.28 2.43 -1.43 0.57 114.38 119.93 3gr9 h ARG 213 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 3gr9 h ARG 213 Cb 0.07 0.00 -0.36 0.00 -0.42 0.00 0.00 29.97 29.26 3gr9 h ARG 213 CO 0.00 0.13 -0.82 0.00 -1.51 0.00 0.00 179.97 177.77 3gr9 s ALA 214 N -3.17 0.54 0.00 2.80 0.00 -0.41 -0.12 121.76 121.40 3gr9 s ALA 214 Ca 0.04 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.30 3gr9 s ALA 214 Cb 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3gr9 s ALA 214 CO 0.73 -2.10 0.00 0.72 0.00 0.00 0.00 175.76 175.11 3gr9 n HIS 215 N 3.80 0.00 -1.35 0.00 8.25 0.40 -3.12 115.22 123.20 3gr9 n HIS 215 Ca 0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.60 3gr9 n HIS 215 Cb 0.42 -1.28 -0.01 0.00 1.12 0.00 0.00 29.99 30.24 3gr9 n HIS 215 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gr9 n GLY 216 N -2.00 0.47 4.00 -1.41 0.00 -0.91 -4.66 105.19 100.68 3gr9 n GLY 216 Ca 0.00 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 3gr9 n GLY 216 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3gr9 s TRP 217 N -2.09 1.92 -1.71 1.61 -2.14 -1.18 -1.09 118.94 114.26 3gr9 s TRP 217 Ca 0.00 -0.32 0.22 0.00 2.66 0.00 0.00 56.10 58.66 3gr9 s TRP 217 Cb 0.00 -2.73 -0.08 0.00 -3.10 0.00 0.00 33.47 27.56 3gr9 s TRP 217 CO 0.00 -1.32 1.03 0.25 -2.66 0.00 0.00 176.95 174.25 3gr9 n THR 218 N -2.53 0.00 -0.30 0.66 -2.24 -1.23 -4.53 114.28 104.11 3gr9 n THR 218 Ca 0.13 -0.18 0.26 0.00 -2.27 0.00 0.00 64.05 61.99 3gr9 n THR 218 Cb 0.60 1.18 0.58 0.00 -2.10 0.00 0.00 70.33 70.60 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 1.67 0.26 -0.77 -0.78 3.08 -1.88 0.15 114.38 116.11 3gr9 h ARG 219 Ca 0.00 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 3gr9 h ARG 219 Cb 0.68 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.57 3gr9 h ARG 219 CO 0.00 0.17 0.20 0.09 -1.07 0.00 0.00 179.97 179.36 3gr9 n ASN 220 N -4.48 4.53 -4.93 7.04 5.03 -1.26 -4.95 115.26 116.24 3gr9 n ASN 220 Ca 0.24 -3.00 -0.20 0.00 0.87 0.00 0.00 54.58 52.49 3gr9 n ASN 220 Cb 0.94 -0.71 -0.02 0.00 -1.02 0.00 0.00 39.78 38.98 3gr9 n ASN 220 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gr9 s LEU 221 N -2.50 3.74 0.16 3.41 1.43 0.53 -4.96 118.68 120.48 3gr9 s LEU 221 Ca 0.47 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3gr9 s LEU 221 Cb 0.37 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 3gr9 s LEU 221 CO 0.12 -0.45 0.37 -2.84 0.23 0.00 0.00 176.35 173.77 3gr9 s PRO 222 N -4.12 3.55 0.35 1.29 0.02 -1.26 -4.94 135.00 129.90 3gr9 s PRO 222 Ca 0.45 -0.24 0.17 0.00 0.02 0.00 0.00 61.00 61.40 3gr9 s PRO 222 Cb -0.07 -2.86 1.18 0.00 0.02 0.00 0.00 34.50 32.76 3gr9 s PRO 222 CO 0.29 0.45 1.64 0.87 -0.33 0.00 0.00 177.00 179.92 3gr9 h LYS 223 N 2.48 0.21 -4.67 5.54 1.57 -1.92 -3.09 116.57 116.70 3gr9 h LYS 223 Ca -0.47 -0.01 -0.63 0.00 -1.87 0.00 0.00 60.65 57.67 3gr9 h LYS 223 Cb 1.18 -0.05 -0.37 0.00 0.08 0.00 0.00 32.23 33.07 3gr9 h LYS 223 CO 0.71 0.14 -0.81 0.21 -0.57 0.00 0.00 179.45 179.12 3gr9 s LYS 224 N -5.62 2.17 0.10 3.15 2.36 -1.25 -0.00 119.74 120.64 3gr9 s LYS 224 Ca -0.10 -0.90 0.02 0.00 -2.55 0.00 0.00 55.97 52.44 3gr9 s LYS 224 Cb 0.31 -2.49 -0.04 0.00 -1.05 0.00 0.00 37.83 34.56 3gr9 s LYS 224 CO 0.79 -0.42 -0.07 0.54 1.55 0.00 0.00 175.35 177.73 3gr9 s ASN 225 N 1.35 1.18 0.00 1.43 2.20 0.13 -4.99 114.94 116.24 3gr9 s ASN 225 Ca -0.02 -0.95 0.00 0.00 -0.94 0.00 0.00 52.86 50.95 3gr9 s ASN 225 Cb -0.16 0.08 0.00 0.00 -2.00 0.00 0.00 41.25 39.16 3gr9 s ASN 225 CO -0.08 -0.42 0.59 0.29 -2.94 0.00 0.00 177.10 174.53 3gr9 n LYS 226 N 0.12 0.60 -0.06 3.55 4.76 -1.26 -2.26 118.16 123.62 3gr9 n LYS 226 Ca -0.13 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.18 3gr9 n LYS 226 Cb 0.60 -1.02 -0.04 0.00 -1.84 0.00 0.00 35.03 32.73 3gr9 n LYS 226 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3gr9 n VAL 227 N -0.46 0.89 -0.05 -0.18 0.31 -1.26 -4.81 118.33 112.77 3gr9 n VAL 227 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3gr9 n VAL 227 Cb 0.01 -1.75 -0.15 0.00 -0.91 0.00 0.00 33.84 31.04 3gr9 n VAL 227 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3gr9 n THR 228 N -3.70 0.65 0.00 2.52 -2.24 -1.24 -5.04 114.28 105.23 3gr9 n THR 228 Ca -0.23 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3gr9 n THR 228 Cb 0.60 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.63 0.95 2.92 3.38 0.00 -0.96 -4.90 105.19 108.21 3gr9 n GLY 229 Ca -0.17 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 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 1.19 0.21 1.61 1.01 -1.25 0.21 120.40 123.37 3gr9 s VAL 230 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 3gr9 s VAL 230 Cb 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 35.05 3gr9 s VAL 230 CO 0.00 0.28 1.21 -0.54 0.00 0.00 0.00 175.10 176.05 3gr9 s LYS 231 N 1.62 4.48 1.01 2.72 1.02 1.00 -5.00 119.74 126.60 3gr9 s LYS 231 Ca 0.03 1.92 -0.13 0.00 0.02 0.00 0.00 55.97 57.81 3gr9 s LYS 231 Cb -0.14 -3.21 0.20 0.00 -0.52 0.00 0.00 37.83 34.15 3gr9 s LYS 231 CO -0.08 -0.08 1.11 0.45 -0.92 0.00 0.00 175.35 175.82 3gr9 s SER 232 N -0.01 2.52 0.00 2.83 0.15 -1.26 -4.94 113.70 112.99 3gr9 s SER 232 Ca 0.52 1.05 0.21 0.00 0.70 0.00 0.00 55.95 58.43 3gr9 s SER 232 Cb -0.34 -1.64 0.01 0.00 -1.71 0.00 0.00 66.02 62.34 3gr9 s SER 232 CO 0.39 -3.18 1.04 0.47 1.20 0.00 0.00 173.24 173.16 3gr9 n ASP 233 N -4.19 2.03 -4.56 5.45 8.00 -1.26 -4.79 116.55 117.23 3gr9 n ASP 233 Ca 0.06 -1.52 -0.38 0.00 0.71 0.00 0.00 54.79 53.66 3gr9 n ASP 233 Cb 0.58 0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 42.06 3gr9 n ASP 233 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gr9 s ASP 234 N -2.25 6.18 0.10 -2.24 2.15 -1.26 -4.86 116.67 114.49 3gr9 s ASP 234 Ca 0.18 -1.16 -0.20 0.00 0.43 0.00 0.00 52.55 51.80 3gr9 s ASP 234 Cb 0.17 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 40.18 3gr9 s ASP 234 CO 0.49 -1.79 1.34 -0.61 -0.17 0.00 0.00 175.17 174.43 3gr9 h GLN 235 N 10.24 -0.02 -1.61 4.34 5.75 -1.97 0.97 115.11 132.82 3gr9 h GLN 235 Ca 0.12 0.00 0.47 0.00 -0.15 0.00 0.00 58.65 59.09 3gr9 h GLN 235 Cb 1.02 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.50 3gr9 h GLN 235 CO 1.37 -0.01 1.15 0.34 -2.65 0.00 0.00 178.83 179.03 3gr9 n PHE 236 N -4.43 0.02 -0.08 3.99 7.35 -1.26 -1.87 117.46 121.17 3gr9 n PHE 236 Ca 0.01 0.02 -0.12 0.00 -0.76 0.00 0.00 57.45 56.60 3gr9 n PHE 236 Cb 0.17 -0.42 -0.07 0.00 0.35 0.00 0.00 39.48 39.51 3gr9 n PHE 236 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 3gr9 n GLU 237 N -3.59 0.38 0.23 -4.13 4.07 0.25 -4.65 120.64 113.21 3gr9 n GLU 237 Ca 0.36 0.10 0.10 0.00 -0.06 0.00 0.00 57.16 57.66 3gr9 n GLU 237 Cb 1.64 -1.29 0.53 0.00 -0.06 0.00 0.00 31.44 32.27 3gr9 n GLU 237 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3gr9 h GLU 238 N -0.07 0.00 0.00 5.31 4.57 -0.77 -2.74 114.58 120.89 3gr9 h GLU 238 Ca -0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3gr9 h GLU 238 Cb 1.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 3gr9 h GLU 238 CO -0.08 0.22 0.00 0.43 -1.18 0.00 0.00 179.01 178.40 3gr9 n SER 239 N -3.54 0.04 -1.33 1.04 7.64 -0.78 -3.38 113.62 113.30 3gr9 n SER 239 Ca -0.01 0.51 -0.01 0.00 1.01 0.00 0.00 58.87 60.37 3gr9 n SER 239 Cb 0.37 -0.51 0.11 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.54 0.67 -3.84 1.43 3.72 -1.04 -4.84 117.46 112.03 3gr9 n PHE 240 Ca 0.05 -1.46 -0.35 0.00 -0.05 0.00 0.00 57.45 55.64 3gr9 n PHE 240 Cb 0.26 -0.24 -0.10 0.00 -0.94 0.00 0.00 39.48 38.46 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 -2.58 4.01 -0.23 -1.08 2.20 -1.21 -5.06 119.74 115.79 3gr9 s LYS 241 Ca 0.38 -0.32 -0.03 0.00 -0.36 0.00 0.00 55.97 55.65 3gr9 s LYS 241 Cb 0.38 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 3gr9 s LYS 241 CO -0.07 0.17 -0.06 -0.06 -0.36 0.00 0.00 175.35 174.97 3gr9 s PHE 242 N 0.69 2.97 0.00 4.03 0.08 -1.26 -3.55 117.98 120.93 3gr9 s PHE 242 Ca 0.05 -1.17 0.00 0.00 0.12 0.00 0.00 56.93 55.94 3gr9 s PHE 242 Cb -0.13 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 3gr9 s PHE 242 CO 0.01 -0.62 0.00 1.33 -0.10 0.00 0.00 175.22 175.84 3gr9 n VAL 243 N 4.75 0.00 -3.80 -0.44 0.24 -0.25 -5.02 118.33 113.81 3gr9 n VAL 243 Ca -0.18 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.34 61.51 3gr9 n VAL 243 Cb 0.50 1.00 -0.12 0.00 -1.47 0.00 0.00 33.84 33.74 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 -1.97 1.18 -0.93 1.34 1.43 -1.21 -5.08 118.68 113.44 3gr9 s LEU 244 Ca 0.00 0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 53.28 3gr9 s LEU 244 Cb 0.00 0.72 -0.00 0.00 0.03 0.00 0.00 46.19 46.94 3gr9 s LEU 244 CO 0.00 -0.07 1.71 -2.84 0.23 0.00 0.00 176.35 175.38 3gr9 s PRO 245 N 0.13 3.01 0.00 1.29 0.02 -1.26 -4.08 135.00 134.11 3gr9 s PRO 245 Ca -0.00 -0.58 0.00 0.00 0.02 0.00 0.00 61.00 60.44 3gr9 s PRO 245 Cb -0.02 -5.11 0.00 0.00 0.02 0.00 0.00 34.50 29.40 3gr9 s PRO 245 CO 0.00 -2.81 0.00 0.41 -0.33 0.00 0.00 177.00 174.27 3gr9 n GLY 246 N 6.74 3.28 3.46 0.52 0.00 -1.26 -4.99 105.19 112.93 3gr9 n GLY 246 Ca 0.35 -1.73 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 3gr9 n GLY 246 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gr9 s TYR 247 N 4.08 1.07 -0.48 1.61 2.02 0.20 -4.86 117.35 120.98 3gr9 s TYR 247 Ca 0.00 -1.28 -0.00 0.00 -0.37 0.00 0.00 57.07 55.42 3gr9 s TYR 247 Cb 0.00 -0.16 0.13 0.00 -0.40 0.00 0.00 41.96 41.53 3gr9 s TYR 247 CO 0.00 -1.05 0.26 1.21 -1.57 0.00 0.00 175.55 174.40 3gr9 s ASN 248 N -3.22 4.96 -0.16 2.29 3.84 -1.25 0.15 114.94 121.55 3gr9 s ASN 248 Ca 0.31 -2.51 0.17 0.00 0.21 0.00 0.00 52.86 51.04 3gr9 s ASN 248 Cb 0.00 -1.76 0.44 0.00 -0.55 0.00 0.00 41.25 39.39 3gr9 s ASN 248 CO 0.19 -0.39 1.18 1.33 -2.79 0.00 0.00 177.10 176.62 3gr9 n VAL 249 N 3.88 1.42 -1.94 -5.21 0.24 0.83 -4.99 118.33 112.55 3gr9 n VAL 249 Ca 0.04 -2.63 -0.37 0.00 -2.04 0.00 0.00 64.34 59.34 3gr9 n VAL 249 Cb 0.38 0.23 0.03 0.00 -1.47 0.00 0.00 33.84 33.02 3gr9 n VAL 249 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3gr9 s ARG 250 N -2.32 3.08 0.56 7.34 0.52 -1.22 -1.75 118.95 125.16 3gr9 s ARG 250 Ca 0.37 1.98 -0.04 0.00 -0.52 0.00 0.00 55.73 57.53 3gr9 s ARG 250 Cb 0.38 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.77 3gr9 s ARG 250 CO -0.08 -1.16 0.83 -1.25 0.02 0.00 0.00 175.30 173.66 3gr9 s PRO 251 N -3.11 2.86 0.29 3.54 0.04 -1.26 -4.36 135.00 133.00 3gr9 s PRO 251 Ca 0.74 -0.24 -0.09 0.00 0.04 0.00 0.00 61.00 61.46 3gr9 s PRO 251 Cb -0.34 -2.36 -0.07 0.00 0.04 0.00 0.00 34.50 31.77 3gr9 s PRO 251 CO 0.39 -0.63 0.62 -0.51 0.04 0.00 0.00 177.00 176.90 3gr9 s LEU 252 N -4.87 4.06 0.24 -3.56 1.43 -1.26 -3.85 118.68 110.86 3gr9 s LEU 252 Ca 0.53 0.95 -0.07 0.00 -1.03 0.00 0.00 54.13 54.51 3gr9 s LEU 252 Cb -0.10 -3.75 0.23 0.00 0.03 0.00 0.00 46.19 42.59 3gr9 s LEU 252 CO 0.42 -0.19 1.91 -0.08 0.23 0.00 0.00 176.35 178.64 3gr9 h GLU 253 N 2.00 1.25 -0.76 1.70 4.57 -1.17 -2.38 114.58 119.79 3gr9 h GLU 253 Ca -0.47 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 57.67 3gr9 h GLU 253 Cb 1.18 -0.28 -0.05 0.00 -0.16 0.00 0.00 28.75 29.44 3gr9 h GLU 253 CO 0.67 0.84 0.46 1.98 -1.18 0.00 0.00 179.01 181.78 3gr9 h MET 254 N 1.28 0.84 -0.31 1.92 4.05 -1.89 -1.15 114.93 119.68 3gr9 h MET 254 Ca 0.34 -0.05 -0.13 0.00 -0.28 0.00 0.00 59.70 59.58 3gr9 h MET 254 Cb -0.12 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.48 3gr9 h MET 254 CO -0.07 0.56 -0.35 0.77 0.23 0.00 0.00 176.91 178.05 3gr9 h SER 255 N 0.87 0.72 -0.14 1.39 0.02 -1.72 0.98 113.55 115.68 3gr9 h SER 255 Ca 0.33 -0.30 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3gr9 h SER 255 Cb 0.12 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 3gr9 h SER 255 CO -0.15 1.00 -0.27 1.23 -1.14 0.00 0.00 176.83 177.50 3gr9 h GLY 256 N 0.98 -0.32 0.04 -3.77 0.00 -0.87 0.21 103.07 99.34 3gr9 h GLY 256 Ca 0.06 0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.76 3gr9 h GLY 256 CO 0.08 -0.21 -0.41 0.00 0.00 0.00 0.00 176.54 176.00 3gr9 h ALA 257 N 0.57 -0.57 -0.80 3.60 0.00 -0.85 -1.15 119.26 120.06 3gr9 h ALA 257 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3gr9 h ALA 257 Cb 0.49 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3gr9 h ALA 257 CO -0.33 -0.91 0.53 0.82 0.00 0.00 0.00 179.25 179.35 3gr9 h ILE 258 N -0.49 1.13 -0.75 0.00 5.03 -0.45 -2.59 117.51 119.39 3gr9 h ILE 258 Ca 0.08 -0.34 0.11 0.00 -0.12 0.00 0.00 64.86 64.59 3gr9 h ILE 258 Cb 0.62 0.06 -0.08 0.00 -3.03 0.00 0.00 36.82 34.39 3gr9 h ILE 258 CO -0.38 0.18 0.36 1.23 -0.68 0.00 0.00 178.15 178.86 3gr9 h GLY 259 N 0.99 1.15 0.76 5.37 0.00 0.65 -2.44 103.07 109.54 3gr9 h GLY 259 Ca 0.32 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.48 3gr9 h GLY 259 CO -0.09 0.01 0.48 -2.22 0.00 0.00 0.00 176.54 174.73 3gr9 h ILE 260 N 0.58 1.05 -0.04 2.60 2.04 -1.01 -0.99 117.51 121.74 3gr9 h ILE 260 Ca 0.39 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.76 3gr9 h ILE 260 Cb 0.47 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3gr9 h ILE 260 CO -0.31 0.16 -0.74 -0.33 0.00 0.00 0.00 178.15 176.93 3gr9 h GLU 261 N 0.90 0.26 -0.31 2.37 4.39 -1.53 -3.16 114.58 117.51 3gr9 h GLU 261 Ca 0.34 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 3gr9 h GLU 261 Cb 0.12 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3gr9 h GLU 261 CO -0.16 0.89 -0.17 1.96 -1.16 0.00 0.00 179.01 180.37 3gr9 h GLN 262 N 0.17 0.55 -0.58 2.33 1.08 -0.95 -2.64 115.11 115.06 3gr9 h GLN 262 Ca -0.03 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 56.98 3gr9 h GLN 262 Cb 1.31 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.66 3gr9 h GLN 262 CO 0.12 0.69 0.31 -0.07 -0.95 0.00 0.00 178.83 178.93 3gr9 h LEU 263 N 0.50 0.70 -1.44 1.46 3.38 -1.16 -0.75 115.31 118.00 3gr9 h LEU 263 Ca 0.08 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3gr9 h LEU 263 Cb 0.57 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3gr9 h LEU 263 CO 0.04 0.57 -0.26 0.11 0.09 0.00 0.00 178.44 178.99 3gr9 h LYS 264 N 0.80 0.00 0.00 1.13 1.57 -1.51 -2.68 116.57 115.87 3gr9 h LYS 264 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3gr9 h LYS 264 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3gr9 h LYS 264 CO -0.03 0.26 -0.82 1.63 -0.57 0.00 0.00 179.45 179.91 3gr9 n LYS 265 N -3.76 0.07 -0.24 3.15 5.02 -0.38 -4.54 118.16 117.47 3gr9 n LYS 265 Ca -0.01 -0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.21 3gr9 n LYS 265 Cb 0.36 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 3gr9 n LYS 265 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3gr9 n LEU 266 N -1.61 -0.62 -0.28 -0.35 7.94 -0.65 -0.82 117.00 120.62 3gr9 n LEU 266 Ca 0.04 1.39 0.01 0.00 -1.11 0.00 0.00 56.01 56.33 3gr9 n LEU 266 Cb 0.36 -0.31 0.07 0.00 0.53 0.00 0.00 43.42 44.07 3gr9 n LEU 266 CO 0.39 -1.02 0.67 -0.65 -1.11 0.00 0.00 177.39 175.67 3gr9 h PRO 267 N 0.00 -0.03 0.47 1.96 0.11 -1.80 0.19 132.00 132.90 3gr9 h PRO 267 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3gr9 h PRO 267 Cb 0.24 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3gr9 h PRO 267 CO -0.55 -0.02 -0.36 -0.09 -0.21 0.00 0.00 178.00 176.77 3gr9 h ARG 268 N -0.03 -0.79 -0.83 1.05 2.43 -1.27 0.29 114.38 115.22 3gr9 h ARG 268 Ca 0.35 0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.78 3gr9 h ARG 268 Cb 0.59 0.18 -0.13 0.00 -0.42 0.00 0.00 29.97 30.19 3gr9 h ARG 268 CO -0.83 -0.53 0.21 0.74 -1.51 0.00 0.00 179.97 178.05 3gr9 h PHE 269 N -0.82 0.32 -0.19 2.20 0.04 0.46 -0.16 116.94 118.78 3gr9 h PHE 269 Ca -0.05 0.05 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 3gr9 h PHE 269 Cb 0.70 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 3gr9 h PHE 269 CO -0.15 -0.16 -0.46 0.82 -0.60 0.00 0.00 178.31 177.76 3gr9 h ILE 270 N 0.24 1.32 -0.47 -0.55 2.04 -0.10 -1.22 117.51 118.76 3gr9 h ILE 270 Ca 0.50 -1.66 -0.13 0.00 1.00 0.00 0.00 64.86 64.56 3gr9 h ILE 270 Cb 0.94 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3gr9 h ILE 270 CO -0.60 0.51 -0.23 -1.28 0.00 0.00 0.00 178.15 176.55 3gr9 h SER 271 N 0.39 1.02 -0.22 1.72 0.87 0.12 -1.72 113.55 115.73 3gr9 h SER 271 Ca 0.02 -0.39 -0.09 0.00 -1.23 0.00 0.00 61.79 60.10 3gr9 h SER 271 Cb 0.96 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 3gr9 h SER 271 CO 0.08 1.19 -0.21 0.58 -0.53 0.00 0.00 176.83 177.94 3gr9 h VAL 272 N 0.85 1.32 -0.77 2.23 2.07 -1.08 -2.19 116.25 118.69 3gr9 h VAL 272 Ca 0.11 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 3gr9 h VAL 272 Cb 0.81 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 3gr9 h VAL 272 CO 0.07 0.42 0.31 0.03 0.02 0.00 0.00 177.57 178.42 3gr9 h ARG 273 N 0.22 1.14 0.00 1.57 3.08 -1.22 -0.48 114.38 118.68 3gr9 h ARG 273 Ca 0.04 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 3gr9 h ARG 273 Cb 0.76 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3gr9 h ARG 273 CO 0.05 0.92 -0.04 0.00 -1.07 0.00 0.00 179.97 179.83 3gr9 h ARG 274 N 1.11 0.00 0.06 0.04 3.08 -1.25 -1.35 114.38 116.08 3gr9 h ARG 274 Ca 0.26 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.11 3gr9 h ARG 274 Cb 0.20 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.27 3gr9 h ARG 274 CO -0.02 0.04 -0.82 0.87 -1.07 0.00 0.00 179.97 178.96 3gr9 h LYS 275 N 0.00 0.45 -0.27 0.04 1.57 -0.57 -2.03 116.57 115.76 3gr9 h LYS 275 Ca -0.00 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3gr9 h LYS 275 Cb 0.62 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3gr9 h LYS 275 CO 0.00 1.21 0.17 -0.91 -0.57 0.00 0.00 179.45 179.36 3gr9 h ASN 276 N -0.06 0.32 -0.12 0.86 2.35 -0.94 -2.64 115.58 115.33 3gr9 h ASN 276 Ca -0.12 -0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.64 3gr9 h ASN 276 Cb 1.55 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.78 3gr9 h ASN 276 CO 0.16 0.25 -0.39 0.00 -1.65 0.00 0.00 177.43 175.81 3gr9 h ALA 277 N 1.08 -0.52 -0.55 -0.83 0.00 -1.19 -0.21 119.26 117.03 3gr9 h ALA 277 Ca 0.10 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3gr9 h ALA 277 Cb -0.01 0.72 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 3gr9 h ALA 277 CO -0.02 -0.88 -0.15 1.49 0.00 0.00 0.00 179.25 179.69 3gr9 h GLU 278 N -0.47 -0.02 0.18 0.00 4.81 -1.16 0.70 114.58 118.63 3gr9 h GLU 278 Ca 0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3gr9 h GLU 278 Cb 0.60 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3gr9 h GLU 278 CO -0.38 -0.01 -0.14 -0.92 -0.73 0.00 0.00 179.01 176.83 3gr9 h TYR 279 N -0.02 -0.37 -0.08 0.92 3.20 -1.19 -1.85 116.97 117.58 3gr9 h TYR 279 Ca 0.27 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.15 3gr9 h TYR 279 Cb 0.42 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 3gr9 h TYR 279 CO -0.47 -0.22 -0.32 0.35 -1.64 0.00 0.00 178.16 175.85 3gr9 h PHE 280 N -0.33 -0.97 -1.00 -3.82 3.57 0.28 0.14 116.94 114.82 3gr9 h PHE 280 Ca -0.01 0.04 0.25 0.00 3.53 0.00 0.00 57.97 61.78 3gr9 h PHE 280 Cb 0.30 0.43 -0.08 0.00 2.79 0.00 0.00 35.95 39.40 3gr9 h PHE 280 CO -0.11 -0.32 0.66 -0.07 -2.23 0.00 0.00 178.31 176.23 3gr9 h LEU 281 N -0.34 0.36 -1.04 0.59 3.38 0.46 0.53 115.31 119.24 3gr9 h LEU 281 Ca 0.02 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3gr9 h LEU 281 Cb 0.40 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3gr9 h LEU 281 CO -0.26 0.10 -0.07 -0.78 0.09 0.00 0.00 178.44 177.52 3gr9 h ASP 282 N 0.33 0.00 0.36 -0.43 3.58 -0.20 0.62 116.42 120.68 3gr9 h ASP 282 Ca 0.54 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.67 3gr9 h ASP 282 Cb 1.49 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.51 3gr9 h ASP 282 CO -0.21 0.07 -1.74 0.11 -2.88 0.00 0.00 179.24 174.59 3gr9 h LYS 283 N 0.00 0.17 -0.64 0.28 1.79 0.18 -3.33 116.57 115.02 3gr9 h LYS 283 Ca -0.00 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3gr9 h LYS 283 Cb 0.69 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 3gr9 h LYS 283 CO 0.01 0.95 0.00 1.19 -1.08 0.00 0.00 179.45 180.52 3gr9 n PHE 284 N -3.33 1.43 -0.04 -1.35 3.72 -0.37 -4.64 117.46 112.88 3gr9 n PHE 284 Ca -0.22 -0.55 -0.15 0.00 -0.05 0.00 0.00 57.45 56.49 3gr9 n PHE 284 Cb 1.05 -0.28 -0.10 0.00 -0.94 0.00 0.00 39.48 39.21 3gr9 n PHE 284 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3gr9 h LYS 285 N 3.55 -0.52 -0.75 -1.08 3.64 -1.00 -3.03 116.57 117.38 3gr9 h LYS 285 Ca 0.00 0.04 -0.47 0.00 -1.27 0.00 0.00 60.65 58.95 3gr9 h LYS 285 Cb 1.42 0.12 -0.26 0.00 -0.41 0.00 0.00 32.23 33.10 3gr9 h LYS 285 CO 0.26 -0.34 0.22 -0.25 -2.27 0.00 0.00 179.45 177.07 3gr9 n ASP 286 N -5.41 4.72 -4.71 4.20 8.00 -1.26 -5.04 116.55 117.04 3gr9 n ASP 286 Ca -0.05 -3.75 -0.58 0.00 0.71 0.00 0.00 54.79 51.11 3gr9 n ASP 286 Cb 0.37 -0.73 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 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 -1.00 2.02 0.16 1.24 -0.00 -1.15 -4.85 115.22 111.65 3gr9 n HIS 287 Ca 0.50 0.59 0.19 0.00 0.46 0.00 0.00 57.72 59.45 3gr9 n HIS 287 Cb 1.05 -2.44 0.76 0.00 -0.12 0.00 0.00 29.99 29.25 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 6.98 0.00 0.00 1.57 0.13 -1.95 -3.28 132.00 135.45 3gr9 h PRO 288 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3gr9 h PRO 288 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3gr9 h PRO 288 CO 0.96 0.00 -0.17 2.48 -0.23 0.00 0.00 178.00 181.04 3gr9 n TYR 289 N -3.47 0.00 -3.72 1.56 0.18 -1.26 -4.98 117.16 105.47 3gr9 n TYR 289 Ca 0.05 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.66 3gr9 n TYR 289 Cb 0.55 0.05 -0.16 0.00 -0.38 0.00 0.00 39.34 39.40 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 0.48 0.25 -3.48 1.43 -1.24 -1.31 118.68 114.81 3gr9 s LEU 290 Ca 0.00 0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.22 3gr9 s LEU 290 Cb 0.00 0.12 -0.06 0.00 0.03 0.00 0.00 46.19 46.28 3gr9 s LEU 290 CO 0.00 -0.19 0.53 -1.81 0.23 0.00 0.00 176.35 175.11 3gr9 s ASP 291 N 1.65 6.52 0.52 2.29 1.01 0.22 -4.60 116.67 124.28 3gr9 s ASP 291 Ca -0.03 0.79 0.05 0.00 0.71 0.00 0.00 52.55 54.06 3gr9 s ASP 291 Cb -0.12 -2.17 0.02 0.00 1.01 0.00 0.00 42.92 41.66 3gr9 s ASP 291 CO -0.04 -0.12 0.30 0.68 0.21 0.00 0.00 175.17 176.19 3gr9 s VAL 292 N -1.94 1.62 -0.09 -1.27 -7.23 -1.26 -1.17 120.40 109.06 3gr9 s VAL 292 Ca 0.45 -1.61 -0.29 0.00 -1.81 0.00 0.00 61.98 58.71 3gr9 s VAL 292 Cb -0.11 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 3gr9 s VAL 292 CO 0.26 0.00 1.00 -1.58 -0.31 0.00 0.00 175.10 174.47 3gr9 s GLN 293 N -4.16 4.44 -0.19 4.82 0.74 -1.26 -4.89 119.66 119.15 3gr9 s GLN 293 Ca 0.29 1.39 -0.26 0.00 0.05 0.00 0.00 55.36 56.82 3gr9 s GLN 293 Cb -0.01 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.56 3gr9 s GLN 293 CO 0.17 -0.27 0.90 -1.14 -0.55 0.00 0.00 175.29 174.40 3gr9 s GLN 294 N 1.86 4.28 0.19 1.67 0.74 -0.63 -4.98 119.66 122.78 3gr9 s GLN 294 Ca 0.49 1.13 -0.30 0.00 0.05 0.00 0.00 55.36 56.72 3gr9 s GLN 294 Cb -0.19 -3.60 -0.09 0.00 1.10 0.00 0.00 33.01 30.24 3gr9 s GLN 294 CO 0.19 -0.44 1.30 -2.00 -0.55 0.00 0.00 175.29 173.79 3gr9 s GLU 295 N 2.54 4.40 -0.13 1.67 2.12 -1.26 -4.41 118.70 123.63 3gr9 s GLU 295 Ca 0.40 2.03 0.01 0.00 0.36 0.00 0.00 54.97 57.76 3gr9 s GLU 295 Cb -0.16 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 3gr9 s GLU 295 CO 0.10 -0.25 -0.15 0.99 -0.54 0.00 0.00 175.26 175.41 3gr9 s THR 296 N 0.19 2.83 0.00 -1.70 2.01 -1.26 -4.97 115.64 112.73 3gr9 s THR 296 Ca 0.57 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.83 3gr9 s THR 296 Cb -0.36 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 69.98 3gr9 s THR 296 CO 0.37 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.44 3gr9 n GLY 297 N 3.62 2.38 2.44 4.40 0.00 -1.26 -3.68 105.19 113.09 3gr9 n GLY 297 Ca -0.18 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 3gr9 n GLY 297 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gr9 s GLU 298 N 0.00 0.72 0.52 1.61 2.02 -0.55 -5.01 118.70 118.01 3gr9 s GLU 298 Ca 0.00 -1.68 -0.22 0.00 0.02 0.00 0.00 54.97 53.09 3gr9 s GLU 298 Cb 0.00 -1.32 -0.06 0.00 0.10 0.00 0.00 34.13 32.86 3gr9 s GLU 298 CO 0.00 -1.30 1.34 0.45 0.02 0.00 0.00 175.26 175.77 3gr9 s SER 299 N 0.61 5.48 -0.35 -0.19 0.15 -1.25 -1.78 113.70 116.37 3gr9 s SER 299 Ca 0.25 2.72 0.06 0.00 0.70 0.00 0.00 55.95 59.68 3gr9 s SER 299 Cb -0.10 -2.63 0.65 0.00 -1.71 0.00 0.00 66.02 62.23 3gr9 s SER 299 CO -0.09 -1.42 1.78 -1.54 1.20 0.00 0.00 173.24 173.17 3gr9 n SER 300 N -0.83 4.16 -1.20 5.45 3.41 -0.02 -4.88 113.62 119.70 3gr9 n SER 300 Ca 0.09 -3.28 -0.04 0.00 -0.26 0.00 0.00 58.87 55.38 3gr9 n SER 300 Cb 0.45 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3gr9 n SER 300 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3gr9 n TRP 301 N -0.54 -0.26 -0.12 7.33 7.02 -1.26 -4.83 117.44 124.79 3gr9 n TRP 301 Ca 0.46 0.11 -0.13 0.00 -1.02 0.00 0.00 57.50 56.92 3gr9 n TRP 301 Cb 1.44 -0.21 -0.02 0.00 -2.42 0.00 0.00 31.31 30.10 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 0.60 1.11 -1.84 -5.99 3.57 -1.61 -3.45 116.94 109.33 3gr9 h PHE 302 Ca -0.06 -0.33 0.24 0.00 3.53 0.00 0.00 57.97 61.36 3gr9 h PHE 302 Cb 0.17 -0.24 -0.12 0.00 2.79 0.00 0.00 35.95 38.56 3gr9 h PHE 302 CO 0.00 1.16 0.67 0.20 -2.23 0.00 0.00 178.31 178.11 3gr9 s GLY 303 N -3.82 -0.34 -0.23 2.40 0.00 -1.26 -3.44 107.32 100.63 3gr9 s GLY 303 Ca -0.11 0.70 -0.10 0.00 0.00 0.00 0.00 44.72 45.20 3gr9 s GLY 303 CO 0.88 0.18 0.15 -1.36 0.00 0.00 0.00 173.10 172.95 3gr9 s PHE 304 N -2.79 3.35 0.11 1.90 0.08 0.17 -4.87 117.98 115.94 3gr9 s PHE 304 Ca 0.12 0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.45 3gr9 s PHE 304 Cb 0.01 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 3gr9 s PHE 304 CO -0.03 0.15 0.22 -1.54 -0.10 0.00 0.00 175.22 173.92 3gr9 s SER 305 N 0.81 6.16 0.02 1.36 1.04 -1.26 -0.76 113.70 121.07 3gr9 s SER 305 Ca 0.08 0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.67 3gr9 s SER 305 Cb -0.13 -1.83 -0.01 0.00 0.10 0.00 0.00 66.02 64.15 3gr9 s SER 305 CO 0.02 0.11 -0.03 -0.36 0.98 0.00 0.00 173.24 173.96 3gr9 s PHE 306 N -1.62 0.29 -0.16 5.02 0.08 0.40 -4.29 117.98 117.71 3gr9 s PHE 306 Ca 0.34 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 57.03 3gr9 s PHE 306 Cb -0.12 -0.19 0.05 0.00 -0.57 0.00 0.00 43.02 42.19 3gr9 s PHE 306 CO 0.27 -0.10 0.01 0.42 -0.10 0.00 0.00 175.22 175.72 3gr9 s ILE 307 N -0.93 0.62 -0.07 0.64 1.01 -0.32 -1.31 121.20 120.84 3gr9 s ILE 307 Ca -0.09 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 3gr9 s ILE 307 Cb -0.07 -0.96 -0.06 0.00 0.01 0.00 0.00 42.46 41.38 3gr9 s ILE 307 CO -0.00 -0.01 1.83 -0.63 0.00 0.00 0.00 174.94 176.13 3gr9 s ILE 308 N 1.84 3.32 0.44 2.92 1.01 -0.95 -0.61 121.20 129.17 3gr9 s ILE 308 Ca 0.01 0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.80 3gr9 s ILE 308 Cb -0.15 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.93 3gr9 s ILE 308 CO -0.07 -0.07 1.02 0.29 0.00 0.00 0.00 174.94 176.10 3gr9 n LYS 309 N 7.58 1.35 -2.49 2.79 5.02 -0.43 -4.85 118.16 127.12 3gr9 n LYS 309 Ca 0.20 0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 56.56 3gr9 n LYS 309 Cb 0.43 -2.07 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 3gr9 n LYS 309 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3gr9 s LYS 310 N -2.09 3.39 0.00 1.97 2.20 -1.26 -1.67 119.74 122.28 3gr9 s LYS 310 Ca 0.64 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.56 3gr9 s LYS 310 Cb -0.54 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 31.70 3gr9 s LYS 310 CO 0.56 -1.83 0.00 -0.25 -0.36 0.00 0.00 175.35 173.47 3gr9 n ASP 311 N 9.03 0.00 -0.17 1.43 9.92 -1.26 -5.02 116.55 130.48 3gr9 n ASP 311 Ca 0.10 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.30 3gr9 n ASP 311 Cb 0.49 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.01 3gr9 n ASP 311 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3gr9 h SER 312 N 0.00 0.50 0.00 -2.24 4.64 -1.68 -3.47 113.55 111.30 3gr9 h SER 312 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gr9 h SER 312 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3gr9 h SER 312 CO 0.00 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 3gr9 n GLY 313 N -1.24 0.88 3.51 -0.77 0.00 -1.26 -5.09 105.19 101.22 3gr9 n GLY 313 Ca 0.04 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3gr9 n GLY 313 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gr9 s VAL 314 N -2.00 3.21 -0.19 1.61 -7.23 -1.26 -5.12 120.40 109.42 3gr9 s VAL 314 Ca 0.00 -0.82 -0.09 0.00 -1.81 0.00 0.00 61.98 59.26 3gr9 s VAL 314 Cb 0.00 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 3gr9 s VAL 314 CO 0.00 0.48 0.09 -0.63 -0.31 0.00 0.00 175.10 174.73 3gr9 s ILE 315 N -0.86 5.06 0.10 -0.62 1.01 -1.26 -5.01 121.20 119.64 3gr9 s ILE 315 Ca 0.14 0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.65 3gr9 s ILE 315 Cb -0.11 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 3gr9 s ILE 315 CO 0.04 0.45 1.30 -1.14 0.00 0.00 0.00 174.94 175.58 3gr9 n ARG 316 N 3.55 -0.29 -0.25 2.79 0.00 -1.26 -0.78 116.66 120.43 3gr9 n ARG 316 Ca -0.16 1.28 0.24 0.00 -0.00 0.00 0.00 57.85 59.21 3gr9 n ARG 316 Cb 0.52 -1.89 0.45 0.00 0.00 0.00 0.00 32.46 31.54 3gr9 n ARG 316 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3gr9 n LYS 317 N -4.49 -0.04 0.04 -0.14 4.76 -1.26 -0.85 118.16 116.18 3gr9 n LYS 317 Ca 0.01 1.04 -0.21 0.00 -2.87 0.00 0.00 58.31 56.29 3gr9 n LYS 317 Cb 0.17 -1.88 -0.14 0.00 -1.84 0.00 0.00 35.03 31.34 3gr9 n LYS 317 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 3gr9 h GLN 318 N 0.00 0.29 0.18 1.97 1.08 -1.38 -1.50 115.11 115.75 3gr9 h GLN 318 Ca 0.64 -0.50 0.01 0.00 -1.45 0.00 0.00 58.65 57.35 3gr9 h GLN 318 Cb 1.72 0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 29.30 3gr9 h GLN 318 CO -0.57 1.24 -0.48 -0.07 -0.95 0.00 0.00 178.83 178.00 3gr9 h LEU 319 N -0.35 -1.41 -0.66 1.46 3.38 -0.81 0.40 115.31 117.33 3gr9 h LEU 319 Ca -0.19 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.05 3gr9 h LEU 319 Cb 1.69 0.51 -0.13 0.00 0.09 0.00 0.00 40.66 42.82 3gr9 h LEU 319 CO 0.13 -0.53 -0.21 0.58 0.09 0.00 0.00 178.44 178.51 3gr9 h VAL 320 N -0.73 0.29 -0.29 1.22 2.07 -1.31 0.14 116.25 117.64 3gr9 h VAL 320 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 3gr9 h VAL 320 Cb 0.71 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 3gr9 h VAL 320 CO -0.22 0.00 -0.30 -0.33 0.02 0.00 0.00 177.57 176.74 3gr9 h GLU 321 N -0.04 -0.28 -0.60 1.57 5.08 0.26 0.12 114.58 120.69 3gr9 h GLU 321 Ca 0.31 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.78 3gr9 h GLU 321 Cb 0.51 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 3gr9 h GLU 321 CO -0.69 -0.18 0.20 -0.91 -1.00 0.00 0.00 179.01 176.42 3gr9 h ASN 322 N -0.29 0.16 -0.09 1.42 -0.26 0.22 -0.91 115.58 115.83 3gr9 h ASN 322 Ca 0.14 0.09 0.04 0.00 -0.56 0.00 0.00 56.30 56.01 3gr9 h ASN 322 Cb 0.52 0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.82 3gr9 h ASN 322 CO -0.45 0.09 -0.16 -0.07 -1.06 0.00 0.00 177.43 175.78 3gr9 h LEU 323 N 0.36 -0.50 -0.45 1.61 3.38 0.13 -0.00 115.31 119.84 3gr9 h LEU 323 Ca 0.31 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3gr9 h LEU 323 Cb 0.40 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3gr9 h LEU 323 CO -0.33 -0.22 0.29 0.78 0.09 0.00 0.00 178.44 179.05 3gr9 h ASN 324 N -0.22 0.52 -0.98 -0.43 4.21 -0.94 0.35 115.58 118.09 3gr9 h ASN 324 Ca 0.08 -0.03 0.14 0.00 1.21 0.00 0.00 56.30 57.71 3gr9 h ASN 324 Cb 0.34 -0.13 -0.09 0.00 -1.12 0.00 0.00 38.32 37.32 3gr9 h ASN 324 CO -0.22 0.40 0.62 0.77 -1.29 0.00 0.00 177.43 177.70 3gr9 h SER 325 N 0.60 0.83 0.46 5.81 4.64 -0.61 -0.97 113.55 124.31 3gr9 h SER 325 Ca 0.16 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3gr9 h SER 325 Cb -0.04 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3gr9 h SER 325 CO -0.03 0.40 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 3gr9 n ALA 326 N -2.37 2.29 -0.45 5.18 0.00 -0.06 -4.84 120.51 120.25 3gr9 n ALA 326 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3gr9 n ALA 326 Cb 0.44 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3gr9 n ALA 326 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gr9 n GLY 327 N 0.86 0.74 3.42 0.00 0.00 -0.37 -4.63 105.19 105.21 3gr9 n GLY 327 Ca 0.12 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 3gr9 n GLY 327 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gr9 s ILE 328 N -2.00 4.02 0.22 -0.61 1.01 0.11 -0.92 121.20 123.02 3gr9 s ILE 328 Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 60.65 60.10 3gr9 s ILE 328 Cb 0.00 -2.85 -0.09 0.00 0.01 0.00 0.00 42.46 39.53 3gr9 s ILE 328 CO 0.00 0.39 0.87 -1.61 0.00 0.00 0.00 174.94 174.59 3gr9 s GLU 329 N 1.36 4.71 0.24 2.79 2.02 -0.82 -3.21 118.70 125.79 3gr9 s GLU 329 Ca 0.05 1.33 -0.18 0.00 0.02 0.00 0.00 54.97 56.19 3gr9 s GLU 329 Cb -0.15 -3.22 0.02 0.00 0.10 0.00 0.00 34.13 30.88 3gr9 s GLU 329 CO 0.02 0.52 0.59 0.00 0.02 0.00 0.00 175.26 176.40 3gr9 n ARG 331 N -0.40 0.89 -1.95 0.00 1.85 -0.42 -4.97 116.66 111.66 3gr9 n ARG 331 Ca -0.06 -1.78 -0.29 0.00 -1.00 0.00 0.00 57.85 54.71 3gr9 n ARG 331 Cb 0.61 2.25 0.05 0.00 -1.05 0.00 0.00 32.46 34.32 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 -2.07 2.74 -0.65 2.89 0.02 -1.26 0.22 135.00 136.89 3gr9 s PRO 332 Ca 0.15 0.34 -0.27 0.00 0.02 0.00 0.00 61.00 61.24 3gr9 s PRO 332 Cb -0.04 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.45 3gr9 s PRO 332 CO 0.09 -1.07 1.46 0.42 -0.33 0.00 0.00 177.00 177.57 3gr9 s ILE 333 N -3.34 3.65 0.00 2.83 1.01 -1.26 -4.45 121.20 119.63 3gr9 s ILE 333 Ca 0.58 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.67 3gr9 s ILE 333 Cb -0.11 -4.53 0.00 0.00 0.01 0.00 0.00 42.46 37.83 3gr9 s ILE 333 CO 0.50 -1.42 0.00 0.52 0.00 0.00 0.00 174.94 174.55 3gr9 n VAL 334 N 6.73 0.00 -0.67 2.92 0.31 -1.26 -1.19 118.33 125.17 3gr9 n VAL 334 Ca 0.10 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.51 3gr9 n VAL 334 Cb 0.50 0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.65 3gr9 n VAL 334 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3gr9 n THR 335 N 0.00 1.80 -4.30 2.52 -2.24 -1.26 -5.07 114.28 105.73 3gr9 n THR 335 Ca 0.00 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 3gr9 n THR 335 Cb 0.00 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.04 0.14 3.60 3.38 0.00 -0.33 -4.64 105.19 107.29 3gr9 n GLY 336 Ca 0.18 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 6.68 0.37 1.61 2.47 -1.26 -4.58 114.94 116.23 3gr9 s ASN 337 Ca 0.00 0.55 0.06 0.00 0.42 0.00 0.00 52.86 53.89 3gr9 s ASN 337 Cb 0.00 -2.53 0.77 0.00 -1.45 0.00 0.00 41.25 38.03 3gr9 s ASN 337 CO 0.00 -1.14 1.99 0.15 -3.72 0.00 0.00 177.10 174.37 3gr9 h PHE 338 N 8.95 0.70 -0.06 0.43 3.57 -1.70 -2.00 116.94 126.83 3gr9 h PHE 338 Ca -0.23 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.31 3gr9 h PHE 338 Cb 1.06 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 3gr9 h PHE 338 CO 0.93 0.39 0.10 -0.07 -2.23 0.00 0.00 178.31 177.43 3gr9 h LEU 339 N 0.71 0.00 -2.16 0.59 -0.00 -1.92 -0.61 115.31 111.93 3gr9 h LEU 339 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 3gr9 h LEU 339 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 3gr9 h LEU 339 CO -0.08 0.00 0.00 0.50 -0.00 0.00 0.00 178.44 178.86 3gr9 h LYS 340 N 0.00 0.00 -3.93 1.13 3.64 -1.76 -3.28 116.57 112.36 3gr9 h LYS 340 Ca 0.03 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.69 3gr9 h LYS 340 Cb 0.22 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.96 3gr9 h LYS 340 CO -0.00 0.00 2.76 0.09 -2.27 0.00 0.00 179.45 180.03 3gr9 n ASN 341 N -2.69 4.28 -0.15 4.20 3.02 -0.24 -4.78 115.26 118.90 3gr9 n ASN 341 Ca -0.02 -2.92 -0.10 0.00 -0.03 0.00 0.00 54.58 51.51 3gr9 n ASN 341 Cb 0.07 -1.61 -0.08 0.00 -0.61 0.00 0.00 39.78 37.56 3gr9 n ASN 341 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3gr9 h THR 342 N 3.99 0.00 -0.94 3.41 2.02 -1.86 -2.99 112.91 116.55 3gr9 h THR 342 Ca 0.51 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.93 3gr9 h THR 342 Cb 0.65 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.89 3gr9 h THR 342 CO 1.79 0.00 -0.03 0.44 0.37 0.00 0.00 175.52 178.09 3gr9 h ASP 343 N -0.24 -0.54 0.41 4.18 5.19 -1.94 0.65 116.42 124.14 3gr9 h ASP 343 Ca 0.07 0.26 -0.20 0.00 -0.62 0.00 0.00 57.03 56.55 3gr9 h ASP 343 Cb 0.42 0.48 -0.01 0.00 0.18 0.00 0.00 39.33 40.41 3gr9 h ASP 343 CO -0.51 -0.31 -0.84 1.62 -3.12 0.00 0.00 179.24 176.08 3gr9 h VAL 344 N 0.03 1.43 0.00 -1.35 3.04 -1.95 -3.11 116.25 114.34 3gr9 h VAL 344 Ca 0.53 -2.40 0.00 0.00 -1.01 0.00 0.00 66.70 63.83 3gr9 h VAL 344 Cb 1.02 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 32.63 3gr9 h VAL 344 CO -0.88 0.71 0.00 -0.07 -1.01 0.00 0.00 177.57 176.31 3gr9 h LEU 345 N 0.19 0.00 -1.38 3.16 3.38 -0.74 -1.58 115.31 118.34 3gr9 h LEU 345 Ca -0.05 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.19 3gr9 h LEU 345 Cb 1.45 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.10 3gr9 h LEU 345 CO 0.14 0.00 0.68 0.50 0.09 0.00 0.00 178.44 179.84 3gr9 h LYS 346 N 0.00 0.37 0.00 1.13 1.63 -1.36 0.17 116.57 118.51 3gr9 h LYS 346 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3gr9 h LYS 346 Cb 0.34 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 3gr9 h LYS 346 CO 0.00 0.24 -0.26 1.88 -3.45 0.00 0.00 179.45 177.86 3gr9 h TYR 347 N 0.38 0.00 -3.72 1.91 0.05 -1.49 -3.47 116.97 110.63 3gr9 h TYR 347 Ca 0.60 0.00 -0.47 0.00 0.05 0.00 0.00 58.73 58.90 3gr9 h TYR 347 Cb 1.54 0.00 0.06 0.00 1.01 0.00 0.00 36.73 39.34 3gr9 h TYR 347 CO -0.00 0.00 0.20 -0.06 -1.05 0.00 0.00 178.16 177.25 3gr9 s PHE 348 N -3.14 3.20 -0.48 4.88 0.40 0.60 -5.02 117.98 118.42 3gr9 s PHE 348 Ca 0.08 0.63 -0.04 0.00 -0.60 0.00 0.00 56.93 57.01 3gr9 s PHE 348 Cb 0.12 -2.84 0.13 0.00 0.51 0.00 0.00 43.02 40.94 3gr9 s PHE 348 CO 0.65 -0.95 0.29 0.34 0.70 0.00 0.00 175.22 176.25 3gr9 s ASP 349 N -4.35 5.31 0.09 1.36 2.15 -1.26 -5.05 116.67 114.93 3gr9 s ASP 349 Ca 0.55 -2.25 0.03 0.00 0.43 0.00 0.00 52.55 51.31 3gr9 s ASP 349 Cb -0.11 -1.86 -0.04 0.00 -0.30 0.00 0.00 42.92 40.62 3gr9 s ASP 349 CO 0.45 -0.51 -0.08 -0.72 -0.17 0.00 0.00 175.17 174.14 3gr9 s TYR 350 N 0.83 0.93 0.09 -5.34 1.13 -1.26 -0.06 117.35 113.68 3gr9 s TYR 350 Ca 0.10 -0.74 0.02 0.00 -1.41 0.00 0.00 57.07 55.04 3gr9 s TYR 350 Cb -0.22 -0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 40.07 3gr9 s TYR 350 CO -0.04 -0.08 -0.07 -0.08 -2.51 0.00 0.00 175.55 172.78 3gr9 s THR 351 N -2.81 0.70 -0.10 -3.49 -1.32 0.96 -4.94 115.64 104.63 3gr9 s THR 351 Ca 0.06 -1.81 0.02 0.00 -1.21 0.00 0.00 61.69 58.76 3gr9 s THR 351 Cb -0.00 -1.52 0.01 0.00 -1.51 0.00 0.00 72.50 69.47 3gr9 s THR 351 CO -0.02 -0.79 -0.17 -0.69 -2.21 0.00 0.00 174.62 170.74 3gr9 s VAL 352 N -3.25 1.60 0.03 5.08 1.01 -1.26 -1.12 120.40 122.47 3gr9 s VAL 352 Ca 0.09 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 3gr9 s VAL 352 Cb 0.03 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3gr9 s VAL 352 CO -0.04 0.46 1.05 -2.28 0.00 0.00 0.00 175.10 174.30 3gr9 s HIS 353 N 0.76 3.59 0.00 5.22 2.46 0.23 -4.78 115.29 122.77 3gr9 s HIS 353 Ca -0.11 1.57 0.00 0.00 0.47 0.00 0.00 55.06 56.99 3gr9 s HIS 353 Cb -0.16 -3.22 0.00 0.00 -0.13 0.00 0.00 32.58 29.07 3gr9 s HIS 353 CO 0.02 -0.43 0.00 -1.71 -2.47 0.00 0.00 174.74 170.15 3gr9 n ASN 354 N 3.86 0.00 -3.39 9.88 5.15 -1.26 -4.57 115.26 124.93 3gr9 n ASN 354 Ca 0.07 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.92 3gr9 n ASN 354 Cb 0.49 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.70 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 0.66 -0.24 1.20 2.20 -1.26 -5.05 114.94 108.45 3gr9 s ASN 355 Ca 0.00 -1.37 0.14 0.00 -0.94 0.00 0.00 52.86 50.69 3gr9 s ASN 355 Cb 0.00 0.65 0.46 0.00 -2.00 0.00 0.00 41.25 40.37 3gr9 s ASN 355 CO 0.00 -1.28 1.17 1.33 -2.94 0.00 0.00 177.10 175.38 3gr9 n VAL 356 N -0.52 1.86 -0.31 3.54 0.24 -1.26 -4.09 118.33 117.78 3gr9 n VAL 356 Ca -0.00 -3.35 0.22 0.00 -2.04 0.00 0.00 64.34 59.17 3gr9 n VAL 356 Cb 0.62 -0.08 0.50 0.00 -1.47 0.00 0.00 33.84 33.40 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 1.96 0.46 -0.19 -1.34 3.32 -1.97 -0.74 116.42 117.92 3gr9 h ASP 357 Ca 0.10 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3gr9 h ASP 357 Cb 1.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 3gr9 h ASP 357 CO 0.40 0.11 0.08 0.78 -1.72 0.00 0.00 179.24 178.89 3gr9 h ASN 358 N 0.42 0.25 -0.62 6.45 2.35 -1.90 -0.10 115.58 122.44 3gr9 h ASN 358 Ca 0.57 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 56.11 3gr9 h ASN 358 Cb 1.42 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.70 3gr9 h ASN 358 CO -0.28 0.33 0.15 0.00 -1.65 0.00 0.00 177.43 175.98 3gr9 h ALA 359 N 0.93 0.81 -0.87 -0.83 0.00 -1.57 -1.32 119.26 116.41 3gr9 h ALA 359 Ca 0.06 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.85 3gr9 h ALA 359 Cb 0.15 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3gr9 h ALA 359 CO -0.01 0.53 0.56 1.49 0.00 0.00 0.00 179.25 181.83 3gr9 h GLU 360 N 0.90 0.77 -0.17 0.00 4.81 -0.92 0.16 114.58 120.13 3gr9 h GLU 360 Ca 0.19 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3gr9 h GLU 360 Cb 0.36 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3gr9 h GLU 360 CO 0.00 0.51 -0.06 -0.92 -0.73 0.00 0.00 179.01 177.81 3gr9 h TYR 361 N 0.79 0.39 -0.47 0.92 5.03 0.12 -2.63 116.97 121.13 3gr9 h TYR 361 Ca 0.42 -0.09 -0.05 0.00 2.58 0.00 0.00 58.73 61.59 3gr9 h TYR 361 Cb 0.52 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 3gr9 h TYR 361 CO -0.00 0.63 0.08 1.25 -1.32 0.00 0.00 178.16 178.80 3gr9 h LEU 362 N 0.04 0.67 -1.53 2.82 6.46 -1.02 -1.31 115.31 121.44 3gr9 h LEU 362 Ca 0.04 -0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.75 3gr9 h LEU 362 Cb 0.51 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 3gr9 h LEU 362 CO 0.02 0.68 0.41 -0.78 -0.62 0.00 0.00 178.44 178.15 3gr9 h ASP 363 N 0.69 0.50 -0.01 1.25 1.82 -0.31 0.76 116.42 121.11 3gr9 h ASP 363 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 3gr9 h ASP 363 Cb 0.30 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.21 3gr9 h ASP 363 CO 0.00 0.32 -0.10 2.29 -1.61 0.00 0.00 179.24 180.14 3gr9 n LYS 364 N -4.48 1.25 0.00 0.28 2.85 -1.13 -4.64 118.16 112.30 3gr9 n LYS 364 Ca 0.09 -0.87 0.00 0.00 -1.05 0.00 0.00 58.31 56.48 3gr9 n LYS 364 Cb 0.27 -1.14 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 3gr9 n LYS 364 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gr9 n ASN 365 N 0.18 0.43 -4.90 -5.58 3.02 -0.51 -4.58 115.26 103.31 3gr9 n ASN 365 Ca 0.05 -0.73 -0.29 0.00 -0.03 0.00 0.00 54.58 53.57 3gr9 n ASN 365 Cb 0.24 0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.69 3gr9 n ASN 365 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gr9 s GLY 366 N -0.32 1.96 0.11 7.41 0.00 0.24 -2.25 107.32 114.47 3gr9 s GLY 366 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 3gr9 s GLY 366 CO 0.00 -0.46 0.28 0.48 0.00 0.00 0.00 173.10 173.39 3gr9 s LEU 367 N -3.29 1.01 0.00 0.66 0.05 -0.43 -4.56 118.68 112.12 3gr9 s LEU 367 Ca 0.43 -0.54 0.01 0.00 0.05 0.00 0.00 54.13 54.08 3gr9 s LEU 367 Cb -0.11 1.35 -0.00 0.00 -2.05 0.00 0.00 46.19 45.38 3gr9 s LEU 367 CO 0.28 -0.79 -0.04 0.12 -0.55 0.00 0.00 176.35 175.37 3gr9 s PHE 368 N -3.85 0.37 0.10 3.48 2.19 0.13 -0.45 117.98 119.95 3gr9 s PHE 368 Ca 0.05 -0.10 0.06 0.00 0.33 0.00 0.00 56.93 57.26 3gr9 s PHE 368 Cb 0.04 -0.23 -0.03 0.00 -1.31 0.00 0.00 43.02 41.48 3gr9 s PHE 368 CO -0.11 -0.02 -0.15 0.14 1.83 0.00 0.00 175.22 176.92 3gr9 s VAL 369 N -0.21 1.31 0.74 3.12 -7.23 0.06 -1.30 120.40 116.89 3gr9 s VAL 369 Ca 0.00 -1.54 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 3gr9 s VAL 369 Cb -0.02 -1.37 0.04 0.00 0.56 0.00 0.00 36.38 35.59 3gr9 s VAL 369 CO -0.00 -0.29 1.09 -0.83 -0.31 0.00 0.00 175.10 174.76 3gr9 s GLY 370 N -2.12 1.79 0.00 2.32 0.00 -1.26 0.45 107.32 108.51 3gr9 s GLY 370 Ca 0.05 0.32 0.07 0.00 0.00 0.00 0.00 44.72 45.15 3gr9 s GLY 370 CO 0.03 0.66 -0.21 0.21 0.00 0.00 0.00 173.10 173.80 3gr9 s ASN 371 N -3.23 2.42 0.34 1.64 2.47 -1.22 -4.49 114.94 112.87 3gr9 s ASN 371 Ca 0.62 -0.41 0.04 0.00 0.42 0.00 0.00 52.86 53.53 3gr9 s ASN 371 Cb -0.18 -0.25 -0.06 0.00 -1.45 0.00 0.00 41.25 39.31 3gr9 s ASN 371 CO 0.52 0.23 0.06 -1.00 -3.72 0.00 0.00 177.10 173.19 3gr9 s HIS 372 N -0.57 1.99 -1.84 0.43 3.76 -1.26 -4.77 115.29 113.03 3gr9 s HIS 372 Ca 0.08 -0.96 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 3gr9 s HIS 372 Cb -0.08 -1.31 0.01 0.00 1.11 0.00 0.00 32.58 32.30 3gr9 s HIS 372 CO -0.00 0.02 0.93 0.00 -0.85 0.00 0.00 174.74 174.84 3gr9 n GLN 373 N -0.72 1.03 -4.54 1.40 0.00 -1.26 -4.11 117.38 109.18 3gr9 n GLN 373 Ca -0.03 -0.04 -0.26 0.00 0.00 0.00 0.00 57.00 56.68 3gr9 n GLN 373 Cb 0.67 -1.09 -0.14 0.00 0.00 0.00 0.00 30.24 29.68 3gr9 n GLN 373 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3gr9 s ILE 374 N -1.84 1.75 0.11 -0.39 -4.36 -1.26 -4.80 121.20 110.41 3gr9 s ILE 374 Ca 0.01 -1.35 -0.36 0.00 -0.26 0.00 0.00 60.65 58.69 3gr9 s ILE 374 Cb 0.00 -1.54 -0.17 0.00 1.25 0.00 0.00 42.46 42.00 3gr9 s ILE 374 CO 0.00 0.13 1.22 -1.84 0.24 0.00 0.00 174.94 174.69 3gr9 n GLU 375 N 1.56 0.97 -0.53 0.37 0.28 -1.26 -4.91 120.64 117.12 3gr9 n GLU 375 Ca -0.18 0.35 0.06 0.00 -0.16 0.00 0.00 57.16 57.23 3gr9 n GLU 375 Cb 0.53 -1.90 0.11 0.00 1.43 0.00 0.00 31.44 31.61 3gr9 n GLU 375 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3gr9 n LEU 376 N 2.20 1.68 -0.27 -1.84 4.77 -1.26 -4.86 117.00 117.41 3gr9 n LEU 376 Ca 0.17 -2.63 0.19 0.00 -0.03 0.00 0.00 56.01 53.70 3gr9 n LEU 376 Cb 0.20 -0.29 0.48 0.00 -2.33 0.00 0.00 43.42 41.48 3gr9 n LEU 376 CO 0.61 0.74 1.22 -0.26 -1.33 0.00 0.00 177.39 178.38 3gr9 h PHE 377 N 0.41 0.63 0.13 -1.77 0.04 -1.95 -2.29 116.94 112.13 3gr9 h PHE 377 Ca -0.04 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3gr9 h PHE 377 Cb 1.24 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.20 3gr9 h PHE 377 CO 0.24 0.15 -0.06 -0.44 -0.60 0.00 0.00 178.31 177.60 3gr9 h ASP 378 N 0.46 -0.15 -1.23 2.17 5.19 -2.00 -3.20 116.42 117.67 3gr9 h ASP 378 Ca 0.50 0.01 0.39 0.00 -0.62 0.00 0.00 57.03 57.30 3gr9 h ASP 378 Cb 1.17 0.04 -0.12 0.00 0.18 0.00 0.00 39.33 40.60 3gr9 h ASP 378 CO -0.22 0.28 0.80 -0.33 -3.12 0.00 0.00 179.24 176.65 3gr9 h GLU 379 N -0.94 0.17 0.03 3.56 3.07 -1.91 0.38 114.58 118.94 3gr9 h GLU 379 Ca -0.02 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3gr9 h GLU 379 Cb 0.13 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3gr9 h GLU 379 CO 0.03 0.11 -0.02 0.82 -1.40 0.00 0.00 179.01 178.55 3gr9 h ILE 380 N 0.17 1.28 -1.01 3.13 2.04 -1.56 0.73 117.51 122.29 3gr9 h ILE 380 Ca 0.75 -1.75 0.27 0.00 1.00 0.00 0.00 64.86 65.13 3gr9 h ILE 380 Cb 2.26 2.33 -0.13 0.00 -0.74 0.00 0.00 36.82 40.54 3gr9 h ILE 380 CO -0.38 0.40 0.59 0.44 0.00 0.00 0.00 178.15 179.20 3gr9 h ASP 381 N -0.91 0.62 -0.49 1.72 3.32 -1.15 2.29 116.42 121.82 3gr9 h ASP 381 Ca -0.00 0.15 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 3gr9 h ASP 381 Cb 0.69 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3gr9 h ASP 381 CO 0.01 0.02 -0.17 0.22 -1.72 0.00 0.00 179.24 177.60 3gr9 h TYR 382 N 0.49 1.13 -0.49 4.55 3.20 -0.23 -2.58 116.97 123.04 3gr9 h TYR 382 Ca 0.67 -0.26 -0.05 0.00 3.14 0.00 0.00 58.73 62.24 3gr9 h TYR 382 Cb 1.38 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 3gr9 h TYR 382 CO -0.01 1.08 0.09 1.25 -1.64 0.00 0.00 178.16 178.93 3gr9 h LEU 383 N 0.87 0.71 -1.03 2.82 5.85 0.57 -2.44 115.31 122.66 3gr9 h LEU 383 Ca 0.12 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3gr9 h LEU 383 Cb 0.75 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3gr9 h LEU 383 CO 0.06 0.73 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.62 3gr9 h ARG 384 N 0.73 0.00 0.21 1.25 9.65 0.19 -2.06 114.38 124.35 3gr9 h ARG 384 Ca 0.16 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.72 3gr9 h ARG 384 Cb 0.32 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.92 3gr9 h ARG 384 CO 0.00 0.18 -1.41 0.93 2.80 0.00 0.00 179.97 182.47 3gr9 h GLU 385 N 0.00 0.43 -0.35 0.20 4.39 -1.21 -3.18 114.58 114.88 3gr9 h GLU 385 Ca -0.00 -0.74 -0.11 0.00 0.34 0.00 0.00 59.36 58.85 3gr9 h GLU 385 Cb 0.76 0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 3gr9 h GLU 385 CO 0.02 1.35 -0.22 0.28 -1.16 0.00 0.00 179.01 179.28 3gr9 h VAL 386 N 0.12 1.27 -0.77 3.13 2.07 -1.32 -2.55 116.25 118.19 3gr9 h VAL 386 Ca -0.22 -1.30 -0.41 0.00 0.82 0.00 0.00 66.70 65.59 3gr9 h VAL 386 Cb 2.10 1.24 -0.15 0.00 -1.52 0.00 0.00 31.29 32.96 3gr9 h VAL 386 CO 0.25 0.43 0.33 0.18 0.02 0.00 0.00 177.57 178.77 3gr9 n LEU 387 N -4.12 6.36 -0.59 2.57 4.77 -0.78 -5.03 117.00 120.18 3gr9 n LEU 387 Ca 0.00 -3.72 0.14 0.00 -0.03 0.00 0.00 56.01 52.39 3gr9 n LEU 387 Cb 0.42 -1.19 0.43 0.00 -2.33 0.00 0.00 43.42 40.74 3gr9 n LEU 387 CO 0.44 1.55 0.81 1.17 -1.33 0.00 0.00 177.39 180.03