#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gr9 h ASN 3 N 0.00 0.14 -3.07 4.38 4.21 -1.48 -3.43 115.58 116.33 3gr9 h ASN 3 Ca 0.00 -0.66 -0.65 0.00 1.21 0.00 0.00 56.30 56.20 3gr9 h ASN 3 Cb 0.00 -0.05 -0.39 0.00 -1.12 0.00 0.00 38.32 36.76 3gr9 h ASN 3 CO 0.00 1.61 -0.38 0.00 -1.29 0.00 0.00 177.43 177.37 3gr9 n TYR 4 N -4.13 3.62 -1.10 1.19 4.19 -0.38 -5.03 117.16 115.53 3gr9 n TYR 4 Ca -0.32 -4.20 -0.29 0.00 3.31 0.00 0.00 57.90 56.40 3gr9 n TYR 4 Cb 0.80 -0.81 0.20 0.00 0.49 0.00 0.00 39.34 40.02 3gr9 n TYR 4 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3gr9 s PRO 5 N -1.58 -0.10 0.26 2.98 0.04 -1.26 0.91 135.00 136.25 3gr9 s PRO 5 Ca 0.28 0.39 0.15 0.00 0.04 0.00 0.00 61.00 61.86 3gr9 s PRO 5 Cb -0.03 -1.69 0.05 0.00 0.04 0.00 0.00 34.50 32.87 3gr9 s PRO 5 CO -0.13 -3.06 1.39 -0.07 0.04 0.00 0.00 177.00 175.17 3gr9 h LEU 6 N -2.13 0.00 0.00 -3.56 3.38 -1.95 -3.42 115.31 107.63 3gr9 h LEU 6 Ca -0.54 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.10 3gr9 h LEU 6 Cb 1.33 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.99 3gr9 h LEU 6 CO 0.53 0.50 -0.31 0.00 0.09 0.00 0.00 178.44 179.25 3gr9 n ALA 7 N -2.24 0.38 -3.61 1.53 0.00 -1.26 -4.54 120.51 110.78 3gr9 n ALA 7 Ca 0.01 -1.43 -0.02 0.00 0.00 0.00 0.00 53.44 52.00 3gr9 n ALA 7 Cb 0.74 1.15 -0.01 0.00 0.00 0.00 0.00 19.45 21.33 3gr9 n ALA 7 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gr9 s SER 8 N -2.74 -0.10 0.42 0.00 1.04 -1.26 -5.11 113.70 105.95 3gr9 s SER 8 Ca 0.29 -0.04 -0.24 0.00 0.48 0.00 0.00 55.95 56.43 3gr9 s SER 8 Cb 0.01 0.14 -0.08 0.00 0.10 0.00 0.00 66.02 66.19 3gr9 s SER 8 CO 0.20 -0.23 1.19 -0.55 0.98 0.00 0.00 173.24 174.83 3gr9 s SER 9 N -2.43 6.34 0.00 7.02 0.15 -1.26 -4.95 113.70 118.57 3gr9 s SER 9 Ca 0.11 2.39 0.03 0.00 0.70 0.00 0.00 55.95 59.18 3gr9 s SER 9 Cb 0.01 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.75 3gr9 s SER 9 CO -0.04 -0.80 0.78 0.35 1.20 0.00 0.00 173.24 174.72 3gr9 n THR 10 N -0.13 0.39 -3.55 6.45 -2.24 -1.26 -4.98 114.28 108.95 3gr9 n THR 10 Ca 0.05 -0.69 -0.37 0.00 -2.27 0.00 0.00 64.05 60.77 3gr9 n THR 10 Cb 0.46 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 3gr9 n THR 10 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3gr9 s TRP 11 N -0.54 3.68 0.00 4.78 0.52 -1.26 -4.98 118.94 121.15 3gr9 s TRP 11 Ca 0.04 0.90 0.00 0.00 0.02 0.00 0.00 56.10 57.06 3gr9 s TRP 11 Cb 0.03 -2.22 0.00 0.00 -1.15 0.00 0.00 33.47 30.12 3gr9 s TRP 11 CO 0.04 0.62 0.00 -3.47 0.02 0.00 0.00 176.95 174.16 3gr9 n ASP 12 N 1.59 0.00 0.00 2.95 2.03 -1.26 -5.01 116.55 116.85 3gr9 n ASP 12 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 3gr9 n ASP 12 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 3gr9 n ASP 12 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3gr9 n ASP 13 N 0.00 2.42 -0.03 1.67 10.43 -1.26 -4.62 116.55 125.16 3gr9 n ASP 13 Ca 0.00 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.25 3gr9 n ASP 13 Cb 0.00 0.48 -0.06 0.00 1.84 0.00 0.00 41.12 43.38 3gr9 n ASP 13 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3gr9 h LEU 14 N 0.00 0.19 -1.34 0.64 3.38 -1.98 0.87 115.31 117.08 3gr9 h LEU 14 Ca 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3gr9 h LEU 14 Cb 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3gr9 h LEU 14 CO 0.00 0.35 0.34 -0.33 0.09 0.00 0.00 178.44 178.90 3gr9 h GLU 15 N 0.02 0.79 0.00 1.13 3.07 -1.92 0.69 114.58 118.37 3gr9 h GLU 15 Ca 0.04 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 3gr9 h GLU 15 Cb 0.23 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3gr9 h GLU 15 CO -0.00 0.56 -0.11 1.88 -1.40 0.00 0.00 179.01 179.95 3gr9 h TYR 16 N 0.81 0.00 0.13 4.33 -1.99 -1.63 -2.48 116.97 116.14 3gr9 h TYR 16 Ca 0.21 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.63 3gr9 h TYR 16 Cb -0.02 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.71 3gr9 h TYR 16 CO 0.00 0.11 -1.58 -0.22 -0.00 0.00 0.00 178.16 176.47 3gr9 h LYS 17 N 0.00 0.27 0.00 4.88 3.64 0.17 -3.01 116.57 122.53 3gr9 h LYS 17 Ca -0.00 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3gr9 h LYS 17 Cb 0.53 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3gr9 h LYS 17 CO 0.01 1.14 0.00 0.00 -2.27 0.00 0.00 179.45 178.34 3gr9 h ALA 18 N 0.43 1.00 0.00 5.00 0.00 0.67 -2.39 119.26 123.96 3gr9 h ALA 18 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3gr9 h ALA 18 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3gr9 h ALA 18 CO 0.16 0.00 -0.02 0.82 0.00 0.00 0.00 179.25 180.21 3gr9 h ILE 19 N 0.00 0.00 -0.98 0.00 2.04 -1.40 -3.18 117.51 113.99 3gr9 h ILE 19 Ca 0.00 -0.71 0.16 0.00 1.00 0.00 0.00 64.86 65.31 3gr9 h ILE 19 Cb 0.34 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.26 3gr9 h ILE 19 CO 0.00 0.00 -0.36 1.67 0.00 0.00 0.00 178.15 179.46 3gr9 n GLN 20 N -3.96 -0.20 -0.11 2.37 -0.06 -1.09 -0.79 117.38 113.53 3gr9 n GLN 20 Ca -0.00 1.51 -0.12 0.00 -2.00 0.00 0.00 57.00 56.38 3gr9 n GLN 20 Cb 0.01 -2.24 -0.08 0.00 -4.06 0.00 0.00 30.24 23.88 3gr9 n GLN 20 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 3gr9 h SER 21 N 0.00 -1.64 -0.69 1.69 0.02 -1.56 0.57 113.55 111.94 3gr9 h SER 21 Ca 0.36 0.23 0.14 0.00 -0.84 0.00 0.00 61.79 61.68 3gr9 h SER 21 Cb 0.61 0.68 -0.13 0.00 0.14 0.00 0.00 62.40 63.70 3gr9 h SER 21 CO -0.98 -0.40 -0.16 0.58 -1.14 0.00 0.00 176.83 174.73 3gr9 h VAL 22 N -0.40 0.32 -0.70 2.27 2.07 -0.94 -0.40 116.25 118.47 3gr9 h VAL 22 Ca 0.10 -0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.76 3gr9 h VAL 22 Cb 0.61 0.31 -0.10 0.00 -1.52 0.00 0.00 31.29 30.59 3gr9 h VAL 22 CO -0.56 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.14 3gr9 h LEU 23 N 0.01 0.04 -0.43 2.57 3.38 0.12 0.34 115.31 121.34 3gr9 h LEU 23 Ca 0.33 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3gr9 h LEU 23 Cb 0.51 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3gr9 h LEU 23 CO -0.70 -0.01 0.00 0.44 0.09 0.00 0.00 178.44 178.26 3gr9 h ASP 24 N 0.29 0.00 -0.07 -0.43 3.32 0.34 -2.16 116.42 117.70 3gr9 h ASP 24 Ca 0.39 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.32 3gr9 h ASP 24 Cb 0.63 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3gr9 h ASP 24 CO -0.47 0.00 -0.32 0.77 -1.72 0.00 0.00 179.24 177.50 3gr9 h SER 25 N 0.00 0.57 -4.96 6.45 4.64 0.42 -3.46 113.55 117.21 3gr9 h SER 25 Ca 0.00 -0.22 -0.28 0.00 -0.47 0.00 0.00 61.79 60.82 3gr9 h SER 25 Cb 0.78 -0.16 0.13 0.00 -0.31 0.00 0.00 62.40 62.85 3gr9 h SER 25 CO 0.00 0.85 -0.61 0.29 -0.87 0.00 0.00 176.83 176.49 3gr9 n LYS 26 N -4.08 -5.54 -3.46 4.77 4.01 -0.75 -5.00 118.16 108.12 3gr9 n LYS 26 Ca -0.01 0.69 -0.18 0.00 -0.51 0.00 0.00 58.31 58.29 3gr9 n LYS 26 Cb 0.46 -5.24 -0.12 0.00 -0.51 0.00 0.00 35.03 29.63 3gr9 n LYS 26 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 3gr9 s MET 27 N -5.24 0.24 -0.17 1.97 -1.94 -1.26 -5.05 119.30 107.86 3gr9 s MET 27 Ca 0.07 0.04 -0.07 0.00 -1.71 0.00 0.00 55.69 54.02 3gr9 s MET 27 Cb -0.03 -0.99 -0.23 0.00 2.01 0.00 0.00 34.83 35.59 3gr9 s MET 27 CO 0.59 -0.81 0.17 1.19 -0.01 0.00 0.00 175.02 176.15 3gr9 n PHE 28 N 5.31 0.87 -1.78 -0.03 3.72 -1.26 -4.87 117.46 119.42 3gr9 n PHE 28 Ca -0.04 0.21 -0.38 0.00 -0.05 0.00 0.00 57.45 57.19 3gr9 n PHE 28 Cb 0.48 -1.11 0.05 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 2.08 -0.25 4.37 2.01 -1.26 -0.85 115.64 119.22 3gr9 s THR 29 Ca -0.27 0.06 -0.23 0.00 0.31 0.00 0.00 61.69 61.56 3gr9 s THR 29 Cb 0.07 -3.03 -0.10 0.00 0.01 0.00 0.00 72.50 69.46 3gr9 s THR 29 CO 0.70 -0.00 0.91 0.80 -0.69 0.00 0.00 174.62 176.33 3gr9 n MET 30 N -1.26 0.00 0.00 4.92 1.56 -1.23 -4.50 117.12 116.61 3gr9 n MET 30 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.55 3gr9 n MET 30 Cb 0.46 -0.76 0.00 0.00 2.15 0.00 0.00 33.22 35.07 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 2.63 4.31 0.41 -5.12 0.00 -1.26 -4.98 105.19 101.18 3gr9 n GLY 31 Ca 0.20 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.05 -0.37 1.61 3.07 -1.97 0.46 114.58 117.33 3gr9 h GLU 32 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.93 3gr9 h GLU 32 Cb 0.00 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 27.87 3gr9 h GLU 32 CO 0.00 -0.03 0.02 1.88 -1.40 0.00 0.00 179.01 179.48 3gr9 h TYR 33 N -0.05 0.03 -0.54 4.33 0.05 -1.92 3.34 116.97 122.20 3gr9 h TYR 33 Ca 0.20 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.94 3gr9 h TYR 33 Cb 0.49 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 3gr9 h TYR 33 CO -0.94 -0.04 0.04 0.28 -1.05 0.00 0.00 178.16 176.45 3gr9 h VAL 34 N 0.13 1.25 -0.26 -2.88 2.07 -1.24 0.12 116.25 115.44 3gr9 h VAL 34 Ca 0.18 -1.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.56 3gr9 h VAL 34 Cb 0.24 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3gr9 h VAL 34 CO -0.28 0.36 -0.39 0.50 0.02 0.00 0.00 177.57 177.78 3gr9 h LYS 35 N 0.83 0.61 -0.28 1.57 3.64 0.27 -0.97 116.57 122.24 3gr9 h LYS 35 Ca 0.16 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 3gr9 h LYS 35 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3gr9 h LYS 35 CO 0.02 0.90 0.04 0.37 -2.27 0.00 0.00 179.45 178.50 3gr9 h GLN 36 N 0.50 0.47 -0.03 1.90 5.75 0.65 -2.77 115.11 121.58 3gr9 h GLN 36 Ca 0.04 -0.13 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3gr9 h GLN 36 Cb 0.90 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.35 3gr9 h GLN 36 CO 0.08 0.59 -0.35 -0.92 -2.65 0.00 0.00 178.83 175.58 3gr9 h TYR 37 N 0.28 -0.96 -0.85 3.99 3.20 -0.42 -1.95 116.97 120.26 3gr9 h TYR 37 Ca 0.08 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.18 3gr9 h TYR 37 Cb 0.35 0.43 -0.12 0.00 1.54 0.00 0.00 36.73 38.94 3gr9 h TYR 37 CO 0.02 -0.43 0.34 0.93 -1.64 0.00 0.00 178.16 177.38 3gr9 h GLU 38 N -0.48 0.38 -0.40 1.82 5.08 -1.09 -1.08 114.58 118.81 3gr9 h GLU 38 Ca 0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3gr9 h GLU 38 Cb 0.58 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3gr9 h GLU 38 CO -0.30 0.25 0.17 1.15 -1.00 0.00 0.00 179.01 179.28 3gr9 h THR 39 N 0.39 1.19 -0.78 1.13 2.02 -1.09 -2.05 112.91 113.71 3gr9 h THR 39 Ca 0.51 -0.57 0.07 0.00 0.77 0.00 0.00 66.41 67.19 3gr9 h THR 39 Cb 0.91 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 3gr9 h THR 39 CO -0.50 0.21 0.46 -0.61 0.37 0.00 0.00 175.52 175.44 3gr9 h GLN 40 N 0.51 0.80 -0.33 6.66 5.75 -0.53 -2.64 115.11 125.33 3gr9 h GLN 40 Ca 0.14 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.48 3gr9 h GLN 40 Cb 0.17 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 3gr9 h GLN 40 CO -0.01 0.53 -0.20 0.35 -2.65 0.00 0.00 178.83 176.85 3gr9 h PHE 41 N 0.82 0.83 -0.56 3.99 3.04 -1.12 0.30 116.94 124.25 3gr9 h PHE 41 Ca 0.35 -0.22 0.11 0.00 3.98 0.00 0.00 57.97 62.19 3gr9 h PHE 41 Cb 0.22 -0.19 -0.09 0.00 2.56 0.00 0.00 35.95 38.45 3gr9 h PHE 41 CO -0.06 0.94 0.05 0.00 -2.02 0.00 0.00 178.31 177.22 3gr9 h ALA 42 N 0.76 0.58 0.62 2.41 0.00 -1.17 -1.87 119.26 120.58 3gr9 h ALA 42 Ca 0.07 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3gr9 h ALA 42 Cb 0.75 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.79 3gr9 h ALA 42 CO 0.06 -0.36 -0.30 -0.22 0.00 0.00 0.00 179.25 178.43 3gr9 h LYS 43 N 0.17 -0.80 -1.11 0.00 3.11 -1.24 0.99 116.57 117.69 3gr9 h LYS 43 Ca 0.29 0.05 0.38 0.00 -2.81 0.00 0.00 60.65 58.57 3gr9 h LYS 43 Cb 0.44 0.18 -0.15 0.00 -1.00 0.00 0.00 32.23 31.70 3gr9 h LYS 43 CO -0.44 -0.53 0.66 1.15 -2.81 0.00 0.00 179.45 177.48 3gr9 h THR 44 N -1.09 0.17 -0.27 1.00 2.02 -0.54 -0.22 112.91 113.98 3gr9 h THR 44 Ca -0.08 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3gr9 h THR 44 Cb 0.63 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3gr9 h THR 44 CO 0.14 0.03 0.00 0.49 0.37 0.00 0.00 175.52 176.55 3gr9 n PHE 45 N -4.98 0.34 -2.44 3.16 3.01 -0.74 -4.99 117.46 110.82 3gr9 n PHE 45 Ca 0.35 -0.21 -0.05 0.00 1.01 0.00 0.00 57.45 58.55 3gr9 n PHE 45 Cb 1.21 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.70 3gr9 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gr9 n GLY 46 N 1.17 0.19 3.24 1.37 0.00 -0.10 -4.59 105.19 106.48 3gr9 n GLY 46 Ca 0.15 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.42 2.33 0.04 1.61 1.04 0.32 -5.01 113.70 110.60 3gr9 s SER 47 Ca 0.01 -0.56 -0.27 0.00 0.48 0.00 0.00 55.95 55.61 3gr9 s SER 47 Cb -0.00 -0.17 -0.17 0.00 0.10 0.00 0.00 66.02 65.78 3gr9 s SER 47 CO 0.23 0.10 1.44 0.11 0.98 0.00 0.00 173.24 176.11 3gr9 h LYS 48 N 4.64 -0.43 -5.52 4.02 1.57 -1.83 -3.40 116.57 115.62 3gr9 h LYS 48 Ca -0.43 0.03 -0.44 0.00 -1.87 0.00 0.00 60.65 57.95 3gr9 h LYS 48 Cb 1.17 0.10 -0.18 0.00 0.08 0.00 0.00 32.23 33.39 3gr9 h LYS 48 CO 0.43 -0.17 -0.76 0.71 -0.57 0.00 0.00 179.45 179.08 3gr9 s TYR 49 N -5.32 1.47 -0.09 -1.35 1.51 0.20 -4.95 117.35 108.83 3gr9 s TYR 49 Ca -0.15 -0.54 -0.04 0.00 -1.01 0.00 0.00 57.07 55.33 3gr9 s TYR 49 Cb 0.03 -0.77 0.04 0.00 -0.11 0.00 0.00 41.96 41.16 3gr9 s TYR 49 CO 0.59 0.17 0.21 0.00 -1.11 0.00 0.00 175.55 175.42 3gr9 s ALA 50 N -2.08 -0.45 -0.08 3.71 0.00 -1.26 0.10 121.76 121.69 3gr9 s ALA 50 Ca 0.10 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.96 3gr9 s ALA 50 Cb -0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 3gr9 s ALA 50 CO 0.04 -0.19 -0.15 0.08 0.00 0.00 0.00 175.76 175.54 3gr9 s VAL 51 N 1.25 2.99 -0.16 0.00 1.01 0.52 -4.82 120.40 121.19 3gr9 s VAL 51 Ca -0.09 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 3gr9 s VAL 51 Cb -0.11 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3gr9 s VAL 51 CO -0.08 0.56 0.13 -0.32 0.00 0.00 0.00 175.10 175.40 3gr9 s MET 52 N -0.23 3.78 0.53 2.72 -2.45 -1.26 -0.85 119.30 121.53 3gr9 s MET 52 Ca 0.01 -0.18 0.01 0.00 -1.25 0.00 0.00 55.69 54.28 3gr9 s MET 52 Cb -0.13 -3.29 -0.00 0.00 1.25 0.00 0.00 34.83 32.66 3gr9 s MET 52 CO 0.03 0.55 0.02 0.14 1.05 0.00 0.00 175.02 176.81 3gr9 s VAL 53 N -0.37 1.07 0.45 10.11 -7.23 0.43 -4.40 120.40 120.46 3gr9 s VAL 53 Ca 0.12 -1.97 0.34 0.00 -1.81 0.00 0.00 61.98 58.65 3gr9 s VAL 53 Cb -0.12 -2.05 0.37 0.00 0.56 0.00 0.00 36.38 35.14 3gr9 s VAL 53 CO 0.01 0.00 2.17 0.77 -0.31 0.00 0.00 175.10 177.74 3gr9 h SER 54 N 1.26 0.00 -5.31 4.85 4.64 -1.69 -2.75 113.55 114.56 3gr9 h SER 54 Ca -0.44 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.03 3gr9 h SER 54 Cb 1.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.36 3gr9 h SER 54 CO 0.73 0.05 0.49 -0.94 -0.87 0.00 0.00 176.83 176.28 3gr9 s SER 55 N -5.76 -0.08 0.33 4.97 1.04 -1.26 -1.80 113.70 111.13 3gr9 s SER 55 Ca -0.03 -0.62 0.08 0.00 0.48 0.00 0.00 55.95 55.87 3gr9 s SER 55 Cb 0.12 0.55 0.57 0.00 0.10 0.00 0.00 66.02 67.36 3gr9 s SER 55 CO 0.52 -1.06 1.76 1.23 0.98 0.00 0.00 173.24 176.67 3gr9 h GLY 56 N 2.00 0.20 0.95 7.32 0.00 -1.72 -2.65 103.07 109.17 3gr9 h GLY 56 Ca -0.26 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 46.91 3gr9 h GLY 56 CO 0.31 0.15 0.45 1.76 0.00 0.00 0.00 176.54 179.22 3gr9 h SER 57 N 0.16 0.76 1.24 0.19 0.02 -1.91 0.26 113.55 114.27 3gr9 h SER 57 Ca 0.02 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 3gr9 h SER 57 Cb 0.71 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3gr9 h SER 57 CO 0.05 0.54 -0.60 0.71 -1.14 0.00 0.00 176.83 176.39 3gr9 h THR 58 N 0.89 1.08 -0.42 -2.27 1.35 -1.93 -0.97 112.91 110.65 3gr9 h THR 58 Ca 0.26 -2.37 -0.07 0.00 -0.55 0.00 0.00 66.41 63.67 3gr9 h THR 58 Cb -0.05 2.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 3gr9 h THR 58 CO -0.08 0.59 -0.03 0.00 -0.25 0.00 0.00 175.52 175.75 3gr9 h ALA 59 N 1.40 0.57 -0.38 6.62 0.00 -1.08 1.09 119.26 127.47 3gr9 h ALA 59 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3gr9 h ALA 59 Cb 1.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3gr9 h ALA 59 CO 0.08 0.38 0.19 -0.91 0.00 0.00 0.00 179.25 178.99 3gr9 h ASN 60 N 0.59 0.47 0.11 0.00 4.21 0.09 0.14 115.58 121.19 3gr9 h ASN 60 Ca 0.12 -0.03 -0.28 0.00 1.21 0.00 0.00 56.30 57.31 3gr9 h ASN 60 Cb 0.53 -0.12 0.03 0.00 -1.12 0.00 0.00 38.32 37.64 3gr9 h ASN 60 CO 0.03 0.40 -1.16 0.25 -1.29 0.00 0.00 177.43 175.66 3gr9 h LEU 61 N 0.53 0.82 -0.97 1.61 5.85 -0.41 -2.99 115.31 119.75 3gr9 h LEU 61 Ca 0.14 -0.83 -0.11 0.00 0.84 0.00 0.00 57.88 57.92 3gr9 h LEU 61 Cb 0.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3gr9 h LEU 61 CO -0.02 1.57 -0.47 -0.07 -0.34 0.00 0.00 178.44 179.11 3gr9 h LEU 62 N 0.19 0.11 0.27 2.25 3.38 0.16 -2.27 115.31 119.40 3gr9 h LEU 62 Ca -0.18 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3gr9 h LEU 62 Cb 1.84 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 3gr9 h LEU 62 CO 0.22 0.56 -0.44 -0.03 0.09 0.00 0.00 178.44 178.84 3gr9 h MET 63 N 0.08 -0.75 -0.68 1.13 4.05 -0.95 0.23 114.93 118.04 3gr9 h MET 63 Ca 0.00 0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.49 3gr9 h MET 63 Cb 0.86 0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.80 3gr9 h MET 63 CO 0.07 -0.50 0.45 0.82 0.23 0.00 0.00 176.91 177.97 3gr9 h ILE 64 N -0.78 1.15 0.76 1.77 1.08 -1.51 -3.16 117.51 116.82 3gr9 h ILE 64 Ca -0.01 -0.31 -0.04 0.00 -0.39 0.00 0.00 64.86 64.11 3gr9 h ILE 64 Cb 0.74 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 3gr9 h ILE 64 CO -0.16 0.16 -0.39 0.00 -0.69 0.00 0.00 178.15 177.07 3gr9 h ALA 65 N 1.58 -1.27 -0.82 1.87 0.00 -0.61 -2.88 119.26 117.14 3gr9 h ALA 65 Ca 0.26 -0.23 0.33 0.00 0.00 0.00 0.00 54.91 55.27 3gr9 h ALA 65 Cb -0.05 0.45 -0.14 0.00 0.00 0.00 0.00 17.79 18.05 3gr9 h ALA 65 CO -0.06 -1.20 0.45 0.00 0.00 0.00 0.00 179.25 178.44 3gr9 n ALA 66 N -2.56 0.83 0.31 0.00 0.00 0.70 -0.27 120.51 119.53 3gr9 n ALA 66 Ca -0.13 0.78 0.20 0.00 0.00 0.00 0.00 53.44 54.29 3gr9 n ALA 66 Cb 0.42 -0.80 1.05 0.00 0.00 0.00 0.00 19.45 20.12 3gr9 n ALA 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gr9 h LEU 67 N 0.00 0.00 -0.38 0.00 3.38 -1.57 -2.05 115.31 114.69 3gr9 h LEU 67 Ca 0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.63 3gr9 h LEU 67 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 3gr9 h LEU 67 CO -0.57 0.00 -0.64 0.49 0.09 0.00 0.00 178.44 177.81 3gr9 n PHE 68 N -3.25 0.00 0.63 1.13 3.01 0.63 -0.98 117.46 118.63 3gr9 n PHE 68 Ca -0.02 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.51 3gr9 n PHE 68 Cb 0.17 -0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 39.50 3gr9 n PHE 68 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3gr9 n PHE 69 N -0.92 0.00 -1.63 1.38 3.72 -0.77 -4.67 117.46 114.57 3gr9 n PHE 69 Ca 0.07 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.07 3gr9 n PHE 69 Cb 0.38 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 38.91 3gr9 n PHE 69 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3gr9 n THR 70 N -1.41 2.96 -0.25 4.37 -2.24 -1.22 -4.74 114.28 111.75 3gr9 n THR 70 Ca 0.02 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.34 3gr9 n THR 70 Cb 0.24 -1.23 0.10 0.00 -2.10 0.00 0.00 70.33 67.34 3gr9 n THR 70 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3gr9 n LYS 71 N -0.34 -0.06 -3.44 -0.78 3.00 -1.26 -0.60 118.16 114.68 3gr9 n LYS 71 Ca 0.10 1.07 -0.43 0.00 -0.00 0.00 0.00 58.31 59.05 3gr9 n LYS 71 Cb 0.43 -1.60 -0.07 0.00 0.00 0.00 0.00 35.03 33.79 3gr9 n LYS 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3gr9 s LYS 72 N -5.86 2.78 -0.11 1.64 2.36 -1.26 -5.04 119.74 114.25 3gr9 s LYS 72 Ca -0.10 -1.63 -0.37 0.00 -2.55 0.00 0.00 55.97 51.31 3gr9 s LYS 72 Cb 0.18 -4.08 -0.15 0.00 -1.05 0.00 0.00 37.83 32.73 3gr9 s LYS 72 CO 0.53 -1.19 1.66 -0.35 1.55 0.00 0.00 175.35 177.56 3gr9 n PRO 73 N 5.09 1.46 0.18 4.03 -0.04 0.23 -4.87 135.00 141.09 3gr9 n PRO 73 Ca -0.11 0.53 0.07 0.00 -0.04 0.00 0.00 63.50 63.95 3gr9 n PRO 73 Cb 0.41 -2.25 0.10 0.00 -0.04 0.00 0.00 33.50 31.72 3gr9 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gr9 h ARG 74 N 6.84 0.00 -3.76 0.54 3.08 -1.32 -3.47 114.38 116.29 3gr9 h ARG 74 Ca -0.47 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.50 3gr9 h ARG 74 Cb 1.31 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.22 3gr9 h ARG 74 CO 0.91 0.25 -0.33 -0.51 -1.07 0.00 0.00 179.97 179.21 3gr9 s LEU 75 N -6.33 1.29 0.26 3.04 1.43 -1.08 -5.05 118.68 112.25 3gr9 s LEU 75 Ca 0.06 -0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 3gr9 s LEU 75 Cb 0.06 1.13 -0.01 0.00 0.03 0.00 0.00 46.19 47.41 3gr9 s LEU 75 CO 0.71 -0.75 0.44 -0.54 0.23 0.00 0.00 176.35 176.44 3gr9 s LYS 76 N -3.86 1.59 0.06 1.70 1.02 -1.26 -4.49 119.74 114.50 3gr9 s LYS 76 Ca 0.05 -1.41 -0.37 0.00 0.02 0.00 0.00 55.97 54.26 3gr9 s LYS 76 Cb 0.04 0.44 -0.16 0.00 -0.52 0.00 0.00 37.83 37.63 3gr9 s LYS 76 CO -0.11 -0.65 1.39 1.63 -0.92 0.00 0.00 175.35 176.69 3gr9 n LYS 77 N -0.41 1.19 0.00 1.68 5.02 -1.26 -0.93 118.16 123.46 3gr9 n LYS 77 Ca -0.01 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3gr9 n LYS 77 Cb 0.62 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3gr9 n LYS 77 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gr9 n GLY 78 N 2.71 3.38 3.61 0.72 0.00 0.63 -5.01 105.19 111.23 3gr9 n GLY 78 Ca 0.19 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.71 3gr9 n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gr9 n ASP 79 N 0.01 1.88 -4.65 1.61 9.92 -0.10 -3.84 116.55 121.37 3gr9 n ASP 79 Ca 0.00 1.12 -0.41 0.00 -0.53 0.00 0.00 54.79 54.97 3gr9 n ASP 79 Cb 0.00 -1.25 -0.04 0.00 -0.64 0.00 0.00 41.12 39.18 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 0.27 4.23 -0.08 -1.24 2.12 -1.26 -1.27 118.70 121.47 3gr9 s GLU 80 Ca 0.79 0.92 0.04 0.00 0.36 0.00 0.00 54.97 57.08 3gr9 s GLU 80 Cb -0.86 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 29.90 3gr9 s GLU 80 CO 0.47 -0.42 -0.18 -1.50 -0.54 0.00 0.00 175.26 173.09 3gr9 s ILE 81 N 2.48 2.65 -0.16 -3.70 2.07 0.32 -1.79 121.20 123.06 3gr9 s ILE 81 Ca 0.35 -0.84 -0.14 0.00 -1.41 0.00 0.00 60.65 58.61 3gr9 s ILE 81 Cb -0.16 -2.04 -0.05 0.00 0.13 0.00 0.00 42.46 40.35 3gr9 s ILE 81 CO 0.09 0.56 0.31 -0.63 -1.91 0.00 0.00 174.94 173.37 3gr9 s ILE 82 N -0.19 5.29 0.08 2.00 1.01 0.19 0.02 121.20 129.60 3gr9 s ILE 82 Ca -0.01 0.57 0.03 0.00 0.00 0.00 0.00 60.65 61.24 3gr9 s ILE 82 Cb -0.13 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 3gr9 s ILE 82 CO 0.03 0.37 -0.09 0.68 0.00 0.00 0.00 174.94 175.94 3gr9 s VAL 83 N 0.56 0.75 0.51 2.92 -7.23 0.18 -1.26 120.40 116.83 3gr9 s VAL 83 Ca 0.17 -1.52 -0.17 0.00 -1.81 0.00 0.00 61.98 58.66 3gr9 s VAL 83 Cb -0.13 -1.18 -0.08 0.00 0.56 0.00 0.00 36.38 35.55 3gr9 s VAL 83 CO 0.04 -0.57 0.98 -2.16 -0.31 0.00 0.00 175.10 173.08 3gr9 s PRO 84 N -2.62 3.95 0.20 4.82 0.04 -1.26 -1.28 135.00 138.86 3gr9 s PRO 84 Ca 0.02 0.95 0.23 0.00 0.04 0.00 0.00 61.00 62.23 3gr9 s PRO 84 Cb -0.03 -2.14 0.91 0.00 0.04 0.00 0.00 34.50 33.28 3gr9 s PRO 84 CO -0.01 -0.26 1.70 0.00 0.04 0.00 0.00 177.00 178.48 3gr9 n ALA 85 N -1.54 1.81 -3.90 8.56 0.00 -0.58 -4.61 120.51 120.24 3gr9 n ALA 85 Ca 0.06 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 3gr9 n ALA 85 Cb 0.54 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.22 1.60 0.35 0.00 1.01 -1.26 -2.38 120.40 116.50 3gr9 s VAL 86 Ca 0.06 -1.72 -0.09 0.00 0.00 0.00 0.00 61.98 60.23 3gr9 s VAL 86 Cb 0.10 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.41 3gr9 s VAL 86 CO 0.42 -0.49 0.62 -0.55 0.00 0.00 0.00 175.10 175.10 3gr9 s SER 87 N 1.28 0.42 0.49 3.32 0.15 -1.26 -4.99 113.70 113.11 3gr9 s SER 87 Ca 0.06 -1.27 -0.21 0.00 0.70 0.00 0.00 55.95 55.23 3gr9 s SER 87 Cb -0.18 0.74 -0.07 0.00 -1.71 0.00 0.00 66.02 64.79 3gr9 s SER 87 CO -0.13 -1.45 1.09 0.86 1.20 0.00 0.00 173.24 174.81 3gr9 s TRP 88 N -2.84 2.89 0.27 3.44 -0.11 -1.26 -4.32 118.94 117.00 3gr9 s TRP 88 Ca 0.23 1.57 -0.01 0.00 1.22 0.00 0.00 56.10 59.11 3gr9 s TRP 88 Cb -0.03 -3.21 0.61 0.00 -1.50 0.00 0.00 33.47 29.34 3gr9 s TRP 88 CO 0.15 -1.19 1.66 0.66 -4.62 0.00 0.00 176.95 173.62 3gr9 h SER 89 N 1.63 0.01 0.00 5.86 4.64 -2.00 -1.10 113.55 122.59 3gr9 h SER 89 Ca -0.50 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3gr9 h SER 89 Cb 1.24 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 3gr9 h SER 89 CO 0.59 -0.10 0.00 0.35 -0.87 0.00 0.00 176.83 176.80 3gr9 n THR 90 N -5.19 0.00 0.10 2.95 -2.24 -1.26 -1.55 114.28 107.09 3gr9 n THR 90 Ca 0.18 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.80 3gr9 n THR 90 Cb 0.59 -0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.41 0.00 4.28 2.02 -1.57 -3.41 112.91 115.65 3gr9 h THR 91 Ca 0.00 -2.98 -0.11 0.00 0.77 0.00 0.00 66.41 64.09 3gr9 h THR 91 Cb 0.00 2.92 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 3gr9 h THR 91 CO 0.00 0.87 -0.62 1.88 0.37 0.00 0.00 175.52 178.02 3gr9 h TYR 92 N 0.08 0.00 -0.87 3.16 0.05 -1.44 -3.42 116.97 114.53 3gr9 h TYR 92 Ca -0.17 0.00 0.23 0.00 0.05 0.00 0.00 58.73 58.85 3gr9 h TYR 92 Cb 2.00 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 39.57 3gr9 h TYR 92 CO 0.07 1.14 -0.01 0.66 -1.05 0.00 0.00 178.16 178.97 3gr9 n TYR 93 N -4.53 0.53 0.29 4.88 4.01 -1.15 -1.29 117.16 119.89 3gr9 n TYR 93 Ca -0.20 1.05 0.15 0.00 -0.16 0.00 0.00 57.90 58.74 3gr9 n TYR 93 Cb 0.54 -1.14 0.88 0.00 -0.31 0.00 0.00 39.34 39.32 3gr9 n TYR 93 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3gr9 h PRO 94 N 0.00 0.00 -0.06 -0.72 0.11 -1.83 0.55 132.00 130.05 3gr9 h PRO 94 Ca 0.52 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.42 3gr9 h PRO 94 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gr9 h PRO 94 CO -0.83 0.04 -0.82 -0.07 -0.21 0.00 0.00 178.00 176.11 3gr9 h LEU 95 N 0.00 0.56 -0.20 2.35 3.38 -1.48 -1.34 115.31 118.58 3gr9 h LEU 95 Ca -0.00 -0.40 -0.15 0.00 0.09 0.00 0.00 57.88 57.42 3gr9 h LEU 95 Cb 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gr9 h LEU 95 CO 0.00 1.17 -0.45 -0.61 0.09 0.00 0.00 178.44 178.65 3gr9 h GLN 96 N 0.29 0.65 0.00 1.13 -0.00 -0.99 -1.55 115.11 114.64 3gr9 h GLN 96 Ca -0.05 -0.44 -0.02 0.00 -0.00 0.00 0.00 58.65 58.13 3gr9 h GLN 96 Cb 1.43 0.06 -0.00 0.00 0.00 0.00 0.00 27.48 28.96 3gr9 h GLN 96 CO 0.15 1.06 -0.12 1.96 0.00 0.00 0.00 178.83 181.88 3gr9 h GLN 97 N 0.35 0.00 -0.43 1.69 4.20 0.20 -2.48 115.11 118.63 3gr9 h GLN 97 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gr9 h GLN 97 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3gr9 h GLN 97 CO 0.10 0.12 0.00 0.66 -0.67 0.00 0.00 178.83 179.03 3gr9 n TYR 98 N -3.80 1.43 -3.15 2.96 4.02 -0.52 -4.99 117.16 113.12 3gr9 n TYR 98 Ca -0.02 -0.77 -0.19 0.00 -0.01 0.00 0.00 57.90 56.90 3gr9 n TYR 98 Cb 0.22 -0.37 0.05 0.00 -0.02 0.00 0.00 39.34 39.21 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 0.15 -0.32 3.92 2.72 0.00 -0.93 -4.55 105.19 106.18 3gr9 n GLY 99 Ca 0.24 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.98 4.23 -0.14 0.99 1.02 -0.63 -0.27 118.68 117.90 3gr9 s LEU 100 Ca 0.37 0.45 -0.22 0.00 0.02 0.00 0.00 54.13 54.75 3gr9 s LEU 100 Cb -0.16 -3.22 -0.03 0.00 0.02 0.00 0.00 46.19 42.80 3gr9 s LEU 100 CO 0.46 -0.03 0.69 -0.60 0.02 0.00 0.00 176.35 176.89 3gr9 s ARG 101 N -3.19 4.31 -0.24 1.70 6.06 -0.39 -4.52 118.95 122.67 3gr9 s ARG 101 Ca 0.39 0.78 -0.09 0.00 -2.50 0.00 0.00 55.73 54.32 3gr9 s ARG 101 Cb -0.11 -3.53 -0.04 0.00 0.06 0.00 0.00 34.95 31.33 3gr9 s ARG 101 CO 0.28 -0.14 0.11 0.08 -2.50 0.00 0.00 175.30 173.13 3gr9 s VAL 102 N 1.53 4.76 -0.28 7.11 1.01 -0.16 -0.53 120.40 133.84 3gr9 s VAL 102 Ca 0.34 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 3gr9 s VAL 102 Cb -0.17 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3gr9 s VAL 102 CO 0.13 0.34 0.07 -0.75 0.00 0.00 0.00 175.10 174.89 3gr9 s LYS 103 N 1.37 3.20 -0.03 2.72 2.20 0.10 0.01 119.74 129.32 3gr9 s LYS 103 Ca 0.06 -0.78 -0.19 0.00 -0.36 0.00 0.00 55.97 54.69 3gr9 s LYS 103 Cb -0.15 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 3gr9 s LYS 103 CO 0.05 -0.39 0.54 -0.06 -0.36 0.00 0.00 175.35 175.14 3gr9 s PHE 104 N 1.51 3.65 -0.02 4.03 0.08 -0.72 0.51 117.98 127.03 3gr9 s PHE 104 Ca 0.03 1.10 0.06 0.00 0.12 0.00 0.00 56.93 58.25 3gr9 s PHE 104 Cb -0.17 -2.55 -0.01 0.00 -0.57 0.00 0.00 43.02 39.72 3gr9 s PHE 104 CO 0.02 0.35 -0.20 0.08 -0.10 0.00 0.00 175.22 175.37 3gr9 s VAL 105 N -0.14 1.62 1.12 -0.44 1.01 -0.41 0.41 120.40 123.58 3gr9 s VAL 105 Ca 0.29 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 3gr9 s VAL 105 Cb -0.17 -1.35 0.15 0.00 0.00 0.00 0.00 36.38 35.01 3gr9 s VAL 105 CO 0.15 0.46 0.33 -0.67 0.00 0.00 0.00 175.10 175.37 3gr9 n ASP 106 N 2.64 -2.13 -4.83 3.32 2.03 -1.26 -1.53 116.55 114.79 3gr9 n ASP 106 Ca -0.16 -0.08 -0.22 0.00 0.52 0.00 0.00 54.79 54.85 3gr9 n ASP 106 Cb 0.53 -1.07 -0.04 0.00 -0.72 0.00 0.00 41.12 39.82 3gr9 n ASP 106 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3gr9 s ILE 107 N -2.30 3.92 -0.01 5.18 -4.36 -1.26 -1.96 121.20 120.41 3gr9 s ILE 107 Ca 0.60 -1.40 -0.23 0.00 -0.26 0.00 0.00 60.65 59.35 3gr9 s ILE 107 Cb -0.17 -3.27 -0.05 0.00 1.25 0.00 0.00 42.46 40.23 3gr9 s ILE 107 CO 0.66 -0.26 0.70 -0.62 0.24 0.00 0.00 174.94 175.66 3gr9 s ASP 108 N -3.92 7.07 0.54 4.36 -1.08 0.94 -4.51 116.67 120.06 3gr9 s ASP 108 Ca 0.37 1.28 0.29 0.00 -0.52 0.00 0.00 52.55 53.97 3gr9 s ASP 108 Cb -0.07 -2.42 1.52 0.00 -1.46 0.00 0.00 42.92 40.49 3gr9 s ASP 108 CO 0.26 -0.01 2.08 -0.29 0.52 0.00 0.00 175.17 177.73 3gr9 h ILE 109 N 4.35 0.45 0.03 4.11 6.09 -1.93 1.25 117.51 131.87 3gr9 h ILE 109 Ca -0.43 -0.50 -0.35 0.00 -1.37 0.00 0.00 64.86 62.21 3gr9 h ILE 109 Cb 1.20 1.34 -0.04 0.00 0.47 0.00 0.00 36.82 39.79 3gr9 h ILE 109 CO 0.72 0.10 -1.99 0.59 -3.07 0.00 0.00 178.15 174.49 3gr9 n ASN 110 N -3.53 1.98 0.02 2.19 3.02 -1.26 -4.44 115.26 113.24 3gr9 n ASN 110 Ca -0.02 0.24 -0.07 0.00 -0.03 0.00 0.00 54.58 54.71 3gr9 n ASN 110 Cb 0.23 -0.80 -0.12 0.00 -0.61 0.00 0.00 39.78 38.48 3gr9 n ASN 110 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3gr9 h THR 111 N -0.54 1.19 0.00 3.41 1.35 -1.71 0.75 112.91 117.36 3gr9 h THR 111 Ca -0.50 -2.94 0.00 0.00 -0.55 0.00 0.00 66.41 62.42 3gr9 h THR 111 Cb 1.68 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.68 3gr9 h THR 111 CO -0.16 0.68 0.00 0.18 -0.25 0.00 0.00 175.52 175.96 3gr9 n LEU 112 N -3.17 0.00 0.00 3.87 4.77 0.43 -4.71 117.00 118.18 3gr9 n LEU 112 Ca -0.08 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.73 3gr9 n LEU 112 Cb 0.98 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 42.18 3gr9 n LEU 112 CO 0.45 0.00 0.47 0.59 -1.33 0.00 0.00 177.39 177.58 3gr9 n ASN 113 N 0.00 0.36 -4.72 -1.43 3.02 -1.25 -4.44 115.26 106.80 3gr9 n ASN 113 Ca 0.00 -1.46 -0.42 0.00 -0.03 0.00 0.00 54.58 52.67 3gr9 n ASN 113 Cb 0.00 -0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 38.61 3gr9 n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gr9 n ILE 114 N -2.83 1.64 -2.22 2.41 3.06 -1.26 0.32 119.36 120.47 3gr9 n ILE 114 Ca 0.10 -0.41 -0.43 0.00 -2.50 0.00 0.00 62.75 59.52 3gr9 n ILE 114 Cb 0.36 -1.71 -0.02 0.00 0.54 0.00 0.00 39.64 38.81 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 -0.02 6.58 0.18 9.51 2.15 -0.83 -4.37 116.67 129.87 3gr9 s ASP 115 Ca 0.59 1.63 -0.12 0.00 0.43 0.00 0.00 52.55 55.07 3gr9 s ASP 115 Cb -0.55 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 39.70 3gr9 s ASP 115 CO 0.58 -1.09 1.77 0.40 -0.17 0.00 0.00 175.17 176.66 3gr9 h ILE 116 N 5.91 0.90 0.00 4.11 1.08 -1.92 0.22 117.51 127.82 3gr9 h ILE 116 Ca -0.32 -0.15 -0.04 0.00 -0.39 0.00 0.00 64.86 63.96 3gr9 h ILE 116 Cb 1.14 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 3gr9 h ILE 116 CO 1.00 0.08 -0.17 -0.33 -0.69 0.00 0.00 178.15 178.04 3gr9 h GLU 117 N 0.45 0.00 0.07 2.37 4.39 -1.99 0.45 114.58 120.32 3gr9 h GLU 117 Ca 0.24 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.72 3gr9 h GLU 117 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3gr9 h GLU 117 CO -0.20 0.17 -1.15 0.77 -1.16 0.00 0.00 179.01 177.44 3gr9 h SER 118 N 0.00 0.24 -0.51 1.42 0.02 -1.84 -3.17 113.55 109.72 3gr9 h SER 118 Ca -0.00 -0.80 0.10 0.00 -0.84 0.00 0.00 61.79 60.25 3gr9 h SER 118 Cb 0.36 -0.08 -0.10 0.00 0.14 0.00 0.00 62.40 62.72 3gr9 h SER 118 CO 0.02 1.49 -0.18 0.25 -1.14 0.00 0.00 176.83 177.27 3gr9 h LEU 119 N -0.56 -0.64 -0.36 5.07 5.85 -0.34 0.61 115.31 124.93 3gr9 h LEU 119 Ca -0.26 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3gr9 h LEU 119 Cb 1.54 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 42.90 3gr9 h LEU 119 CO -0.01 -0.22 -0.26 0.11 -0.34 0.00 0.00 178.44 177.73 3gr9 h LYS 120 N -0.06 -0.06 0.00 1.25 1.57 -0.17 -0.88 116.57 118.22 3gr9 h LYS 120 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3gr9 h LYS 120 Cb 0.44 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3gr9 h LYS 120 CO -0.56 -0.04 0.00 -1.91 -0.57 0.00 0.00 179.45 176.37 3gr9 n GLU 121 N -3.97 0.02 0.01 3.15 2.13 -0.68 -3.62 120.64 117.67 3gr9 n GLU 121 Ca 0.00 0.20 -0.12 0.00 0.66 0.00 0.00 57.16 57.91 3gr9 n GLU 121 Cb 0.13 -1.53 -0.14 0.00 0.27 0.00 0.00 31.44 30.17 3gr9 n GLU 121 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gr9 h ALA 122 N 2.60 0.59 -2.18 4.31 0.00 0.16 -3.45 119.26 121.30 3gr9 h ALA 122 Ca 0.00 -1.33 -0.55 0.00 0.00 0.00 0.00 54.91 53.02 3gr9 h ALA 122 Cb 0.33 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3gr9 h ALA 122 CO 0.00 1.44 1.13 0.08 0.00 0.00 0.00 179.25 181.90 3gr9 s VAL 123 N -2.61 3.56 0.52 0.00 1.01 -0.95 -4.97 120.40 116.96 3gr9 s VAL 123 Ca -0.07 0.66 0.04 0.00 0.00 0.00 0.00 61.98 62.60 3gr9 s VAL 123 Cb 0.08 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.98 3gr9 s VAL 123 CO 0.82 -0.13 0.23 -0.89 0.00 0.00 0.00 175.10 175.13 3gr9 s THR 124 N 4.70 1.54 0.55 3.92 2.01 -1.26 -4.99 115.64 122.10 3gr9 s THR 124 Ca 0.75 -1.70 0.22 0.00 0.31 0.00 0.00 61.69 61.28 3gr9 s THR 124 Cb -0.31 -2.23 0.31 0.00 0.01 0.00 0.00 72.50 70.27 3gr9 s THR 124 CO 0.30 0.00 2.19 0.44 -0.69 0.00 0.00 174.62 176.87 3gr9 h ASP 125 N 1.04 0.00 1.38 3.53 3.32 -2.02 -1.79 116.42 121.88 3gr9 h ASP 125 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3gr9 h ASP 125 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3gr9 h ASP 125 CO 0.65 0.01 0.00 -1.54 -1.72 0.00 0.00 179.24 176.63 3gr9 n SER 126 N -4.22 0.72 -4.65 6.45 3.41 -1.26 -4.87 113.62 109.20 3gr9 n SER 126 Ca -0.03 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.73 3gr9 n SER 126 Cb 0.09 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.25 3gr9 n SER 126 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gr9 s THR 127 N -3.10 3.49 -0.11 6.66 2.01 -0.68 -4.28 115.64 119.64 3gr9 s THR 127 Ca 0.11 0.57 0.20 0.00 0.31 0.00 0.00 61.69 62.88 3gr9 s THR 127 Cb 0.13 -3.43 -0.26 0.00 0.01 0.00 0.00 72.50 68.95 3gr9 s THR 127 CO 0.58 -0.12 0.45 1.17 -0.69 0.00 0.00 174.62 176.02 3gr9 n LYS 128 N 7.48 0.66 -3.48 4.92 0.00 -0.74 -4.70 118.16 122.30 3gr9 n LYS 128 Ca 0.19 -0.07 -0.12 0.00 0.00 0.00 0.00 58.31 58.32 3gr9 n LYS 128 Cb 0.43 -1.58 -0.03 0.00 0.00 0.00 0.00 35.03 33.85 3gr9 n LYS 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gr9 s ALA 129 N -3.15 -1.73 -0.26 3.14 0.00 -1.14 -1.05 121.76 117.57 3gr9 s ALA 129 Ca -0.07 0.89 0.01 0.00 0.00 0.00 0.00 51.96 52.79 3gr9 s ALA 129 Cb 0.11 0.45 0.07 0.00 0.00 0.00 0.00 23.12 23.75 3gr9 s ALA 129 CO 0.87 -0.64 -0.03 0.42 0.00 0.00 0.00 175.76 176.38 3gr9 s ILE 130 N -2.92 1.60 -0.50 0.00 1.01 0.11 0.53 121.20 121.03 3gr9 s ILE 130 Ca 0.00 -1.41 -0.21 0.00 0.00 0.00 0.00 60.65 59.04 3gr9 s ILE 130 Cb -0.01 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.58 3gr9 s ILE 130 CO -0.07 -0.22 0.73 -0.22 0.00 0.00 0.00 174.94 175.16 3gr9 s LEU 131 N 1.34 4.57 0.27 2.97 2.96 -0.39 -0.02 118.68 130.38 3gr9 s LEU 131 Ca -0.02 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.35 3gr9 s LEU 131 Cb -0.19 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.82 3gr9 s LEU 131 CO -0.08 -0.97 0.41 0.42 -1.32 0.00 0.00 176.35 174.81 3gr9 s THR 132 N 3.09 5.17 -0.07 3.68 -4.23 0.16 -4.35 115.64 119.09 3gr9 s THR 132 Ca 0.22 -0.88 -0.00 0.00 -1.18 0.00 0.00 61.69 59.85 3gr9 s THR 132 Cb -0.16 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 69.87 3gr9 s THR 132 CO 0.16 -0.37 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.15 3gr9 s VAL 133 N -2.06 0.55 -0.47 2.29 1.01 -1.26 0.07 120.40 120.52 3gr9 s VAL 133 Ca 0.36 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.05 3gr9 s VAL 133 Cb -0.09 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.69 3gr9 s VAL 133 CO 0.31 0.27 0.93 0.20 0.00 0.00 0.00 175.10 176.80 3gr9 s ASN 134 N 1.53 6.48 -0.17 3.32 0.01 -1.08 -4.76 114.94 120.27 3gr9 s ASN 134 Ca -0.01 0.07 -0.16 0.00 -0.71 0.00 0.00 52.86 52.05 3gr9 s ASN 134 Cb -0.13 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 3gr9 s ASN 134 CO -0.04 -1.08 0.41 -0.22 -1.51 0.00 0.00 177.10 174.66 3gr9 s LEU 135 N 3.80 4.21 -1.70 0.60 2.96 -1.16 -4.15 118.68 123.24 3gr9 s LEU 135 Ca 0.36 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 3gr9 s LEU 135 Cb -0.10 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.04 3gr9 s LEU 135 CO 0.26 -0.02 0.00 0.18 -1.32 0.00 0.00 176.35 175.45 3gr9 n LEU 136 N 4.04 -1.62 0.00 -0.68 4.77 -1.26 -2.18 117.00 120.06 3gr9 n LEU 136 Ca -0.09 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3gr9 n LEU 136 Cb 0.51 -2.69 0.00 0.00 -2.33 0.00 0.00 43.42 38.91 3gr9 n LEU 136 CO 0.41 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 3gr9 n GLY 137 N -0.78 3.35 3.60 -0.72 0.00 -0.85 -1.27 105.19 108.51 3gr9 n GLY 137 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3gr9 n GLY 137 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gr9 s ASN 138 N -0.87 6.61 0.72 1.61 2.47 -0.93 -1.89 114.94 122.66 3gr9 s ASN 138 Ca 0.00 0.41 -0.11 0.00 0.42 0.00 0.00 52.86 53.58 3gr9 s ASN 138 Cb 0.00 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 37.28 3gr9 s ASN 138 CO 0.00 -1.27 1.08 -2.16 -3.72 0.00 0.00 177.10 171.03 3gr9 s PRO 139 N 4.47 2.63 0.51 0.43 0.04 -1.26 -2.98 135.00 138.84 3gr9 s PRO 139 Ca 0.47 1.12 -0.19 0.00 0.04 0.00 0.00 61.00 62.44 3gr9 s PRO 139 Cb -0.07 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 3gr9 s PRO 139 CO 0.31 -1.35 1.03 -0.80 0.04 0.00 0.00 177.00 176.23 3gr9 s ASN 140 N -3.40 6.30 -0.80 6.66 0.01 -1.26 -4.59 114.94 117.86 3gr9 s ASN 140 Ca 0.61 1.84 -0.26 0.00 -0.71 0.00 0.00 52.86 54.34 3gr9 s ASN 140 Cb -0.16 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 38.97 3gr9 s ASN 140 CO 0.53 -0.81 1.51 0.21 -1.51 0.00 0.00 177.10 177.02 3gr9 s ASN 141 N -2.32 5.95 0.31 -1.22 3.84 -1.26 -4.78 114.94 115.46 3gr9 s ASN 141 Ca 0.65 -0.54 0.04 0.00 0.21 0.00 0.00 52.86 53.22 3gr9 s ASN 141 Cb -0.15 -2.56 0.50 0.00 -0.55 0.00 0.00 41.25 38.50 3gr9 s ASN 141 CO 0.25 -1.97 1.78 -0.26 -2.79 0.00 0.00 177.10 174.10 3gr9 h PHE 142 N 11.12 0.47 -0.68 0.43 0.04 -1.99 -2.30 116.94 124.03 3gr9 h PHE 142 Ca -0.13 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 3gr9 h PHE 142 Cb 1.06 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 39.05 3gr9 h PHE 142 CO 1.16 0.61 0.37 -0.44 -0.60 0.00 0.00 178.31 179.40 3gr9 h ASP 143 N 0.39 0.84 -0.15 2.17 3.32 -1.98 0.68 116.42 121.68 3gr9 h ASP 143 Ca 0.07 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3gr9 h ASP 143 Cb 0.57 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3gr9 h ASP 143 CO 0.04 0.68 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.88 3gr9 h GLU 144 N 0.95 0.29 -0.16 3.56 4.39 -1.88 -2.16 114.58 119.57 3gr9 h GLU 144 Ca 0.24 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.86 3gr9 h GLU 144 Cb 0.03 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3gr9 h GLU 144 CO -0.04 0.57 -0.01 0.82 -1.16 0.00 0.00 179.01 179.19 3gr9 h ILE 145 N -0.01 0.88 -0.46 3.13 2.04 -0.79 -1.35 117.51 120.94 3gr9 h ILE 145 Ca 0.04 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 66.02 3gr9 h ILE 145 Cb 0.46 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3gr9 h ILE 145 CO 0.01 0.01 0.34 0.78 0.00 0.00 0.00 178.15 179.29 3gr9 h ASN 146 N 0.04 0.00 -0.13 1.72 2.35 0.38 1.00 115.58 120.94 3gr9 h ASN 146 Ca 0.07 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 3gr9 h ASN 146 Cb 0.09 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.47 3gr9 h ASN 146 CO -0.13 0.00 -0.49 0.11 -1.65 0.00 0.00 177.43 175.27 3gr9 h LYS 147 N 0.00 0.57 -0.37 0.81 1.57 -0.60 -2.88 116.57 115.66 3gr9 h LYS 147 Ca 0.22 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 3gr9 h LYS 147 Cb 0.90 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3gr9 h LYS 147 CO -0.00 1.06 0.11 0.82 -0.57 0.00 0.00 179.45 180.86 3gr9 h ILE 148 N 0.20 1.22 -0.17 1.86 2.04 0.10 -2.96 117.51 119.80 3gr9 h ILE 148 Ca -0.02 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.14 3gr9 h ILE 148 Cb 1.13 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 3gr9 h ILE 148 CO 0.10 0.25 -0.24 0.40 0.00 0.00 0.00 178.15 178.67 3gr9 h ILE 149 N 0.45 0.00 0.00 -0.67 5.03 -1.11 -3.47 117.51 117.74 3gr9 h ILE 149 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.86 3gr9 h ILE 149 Cb 0.27 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.06 3gr9 h ILE 149 CO -0.00 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.08 3gr9 n GLY 150 N -1.16 0.98 0.42 5.37 0.00 -1.09 -3.60 105.19 106.11 3gr9 n GLY 150 Ca -0.02 -1.34 0.04 0.00 0.00 0.00 0.00 46.02 44.71 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 0.97 3.75 -0.02 0.00 -1.26 -4.94 105.19 103.69 3gr9 n GLY 151 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 0.40 2.55 -1.07 1.61 1.74 -1.24 -4.86 116.66 115.78 3gr9 n ARG 152 Ca 0.07 0.90 -0.37 0.00 -0.77 0.00 0.00 57.85 57.67 3gr9 n ARG 152 Cb 0.29 -2.61 -0.04 0.00 -1.02 0.00 0.00 32.46 29.08 3gr9 n ARG 152 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gr9 n ASP 153 N 1.07 3.27 -4.00 0.55 2.03 -1.26 -4.78 116.55 113.43 3gr9 n ASP 153 Ca 0.04 -2.59 -0.30 0.00 0.52 0.00 0.00 54.79 52.47 3gr9 n ASP 153 Cb 0.37 -1.14 -0.17 0.00 -0.72 0.00 0.00 41.12 39.47 3gr9 n ASP 153 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gr9 s ILE 154 N 4.45 1.48 0.14 5.18 1.01 -1.26 -4.80 121.20 127.40 3gr9 s ILE 154 Ca 0.52 -0.58 -0.26 0.00 0.00 0.00 0.00 60.65 60.33 3gr9 s ILE 154 Cb 0.13 -1.41 -0.07 0.00 0.01 0.00 0.00 42.46 41.12 3gr9 s ILE 154 CO 0.06 0.44 0.79 -0.63 0.00 0.00 0.00 174.94 175.60 3gr9 s ILE 155 N 1.52 4.42 -0.15 2.92 1.01 -0.22 -4.94 121.20 125.77 3gr9 s ILE 155 Ca 0.05 1.73 -0.02 0.00 0.00 0.00 0.00 60.65 62.41 3gr9 s ILE 155 Cb -0.13 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 3gr9 s ILE 155 CO -0.10 0.48 -0.08 -0.22 0.00 0.00 0.00 174.94 175.02 3gr9 s LEU 156 N -0.89 2.97 0.17 2.97 2.96 -1.26 0.10 118.68 125.70 3gr9 s LEU 156 Ca 0.37 -0.24 0.10 0.00 -0.22 0.00 0.00 54.13 54.13 3gr9 s LEU 156 Cb -0.23 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 3gr9 s LEU 156 CO 0.26 0.15 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.48 3gr9 s LEU 157 N 0.44 2.42 -0.17 -0.68 1.43 0.98 0.12 118.68 123.21 3gr9 s LEU 157 Ca -0.07 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 3gr9 s LEU 157 Cb -0.15 -0.97 0.04 0.00 0.03 0.00 0.00 46.19 45.14 3gr9 s LEU 157 CO 0.04 0.04 -0.11 -1.61 0.23 0.00 0.00 176.35 174.94 3gr9 s GLU 158 N -2.66 2.00 -0.43 1.70 2.02 -0.90 0.39 118.70 120.82 3gr9 s GLU 158 Ca 0.17 -0.67 -0.19 0.00 0.02 0.00 0.00 54.97 54.30 3gr9 s GLU 158 Cb -0.07 -2.21 0.02 0.00 0.10 0.00 0.00 34.13 31.97 3gr9 s GLU 158 CO 0.08 -0.36 0.52 0.34 0.02 0.00 0.00 175.26 175.86 3gr9 s ASP 159 N 1.48 6.25 -0.24 -0.19 -1.08 0.11 -1.17 116.67 121.83 3gr9 s ASP 159 Ca 0.01 -0.54 0.11 0.00 -0.52 0.00 0.00 52.55 51.62 3gr9 s ASP 159 Cb -0.15 -2.26 0.45 0.00 -1.46 0.00 0.00 42.92 39.50 3gr9 s ASP 159 CO -0.09 -0.66 1.34 -3.20 0.52 0.00 0.00 175.17 173.08 3gr9 n ASN 160 N 5.86 2.30 0.00 -0.34 5.15 -0.39 -2.64 115.26 125.20 3gr9 n ASN 160 Ca -0.05 -3.69 0.05 0.00 -0.60 0.00 0.00 54.58 50.29 3gr9 n ASN 160 Cb 0.48 -0.57 0.25 0.00 -0.53 0.00 0.00 39.78 39.41 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 -1.21 5.33 -1.96 0.00 1.02 -1.26 -4.33 120.64 118.23 3gr9 n GLU 162 Ca 0.05 -0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.98 3gr9 n GLU 162 Cb 0.06 -0.72 0.03 0.00 -0.02 0.00 0.00 31.44 30.80 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 -1.13 4.61 -4.68 1.62 7.64 -1.04 -2.01 113.62 118.62 3gr9 n SER 163 Ca 0.01 -3.70 -0.42 0.00 1.01 0.00 0.00 58.87 55.77 3gr9 n SER 163 Cb 0.07 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 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 -3.58 4.18 0.00 1.43 1.75 -1.25 -2.68 119.30 119.15 3gr9 s MET 164 Ca 0.49 2.39 0.00 0.00 -1.25 0.00 0.00 55.69 57.32 3gr9 s MET 164 Cb 0.40 -3.75 0.00 0.00 2.84 0.00 0.00 34.83 34.33 3gr9 s MET 164 CO 0.03 -0.80 0.00 0.41 -0.65 0.00 0.00 175.02 174.01 3gr9 n GLY 165 N 4.13 2.16 3.72 2.11 0.00 -1.26 -4.84 105.19 111.21 3gr9 n GLY 165 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3gr9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gr9 n ALA 166 N -0.15 1.53 -2.45 4.61 0.00 -1.09 -4.84 120.51 118.11 3gr9 n ALA 166 Ca 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.56 3gr9 n ALA 166 Cb 0.00 -2.30 -0.11 0.00 0.00 0.00 0.00 19.45 17.04 3gr9 n ALA 166 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gr9 s THR 167 N -1.19 0.97 0.01 0.00 -4.23 -1.26 -0.41 115.64 109.53 3gr9 s THR 167 Ca 0.60 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 3gr9 s THR 167 Cb -0.49 -1.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.92 3gr9 s THR 167 CO 0.58 -0.58 -0.01 0.12 -0.54 0.00 0.00 174.62 174.19 3gr9 s PHE 168 N -2.55 0.09 -1.00 3.99 5.36 0.17 -1.38 117.98 122.66 3gr9 s PHE 168 Ca 0.07 -0.19 -0.02 0.00 -0.96 0.00 0.00 56.93 55.83 3gr9 s PHE 168 Cb -0.02 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.59 3gr9 s PHE 168 CO -0.00 -0.07 0.03 0.09 -1.46 0.00 0.00 175.22 173.82 3gr9 n ASN 169 N 2.56 0.38 -4.19 6.13 4.13 -1.26 0.35 115.26 123.37 3gr9 n ASN 169 Ca -0.16 -0.84 -0.35 0.00 1.68 0.00 0.00 54.58 54.90 3gr9 n ASN 169 Cb 0.58 -1.04 -0.06 0.00 -1.54 0.00 0.00 39.78 37.72 3gr9 n ASN 169 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3gr9 n ASN 170 N -1.74 -0.70 -4.02 6.41 4.05 -1.26 -4.98 115.26 113.01 3gr9 n ASN 170 Ca -0.21 -1.24 -0.17 0.00 0.45 0.00 0.00 54.58 53.42 3gr9 n ASN 170 Cb 0.45 -1.52 -0.14 0.00 1.23 0.00 0.00 39.78 39.81 3gr9 n ASN 170 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3gr9 s LYS 171 N -7.27 0.61 -0.08 1.20 2.20 1.09 -5.10 119.74 112.40 3gr9 s LYS 171 Ca 0.16 -0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 3gr9 s LYS 171 Cb -0.09 -0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 35.64 3gr9 s LYS 171 CO 0.95 0.14 1.40 0.00 -0.36 0.00 0.00 175.35 177.48 3gr9 n ALA 173 N 6.24 1.28 0.00 0.00 0.00 0.46 -0.91 120.51 127.59 3gr9 n ALA 173 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3gr9 n ALA 173 Cb 0.44 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3gr9 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gr9 n GLY 174 N 3.40 2.43 0.77 0.00 0.00 -1.26 -4.80 105.19 105.73 3gr9 n GLY 174 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 3gr9 n GLY 174 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gr9 n THR 175 N -0.64 0.67 0.01 2.61 -2.24 -0.08 -3.62 114.28 110.98 3gr9 n THR 175 Ca 0.00 -0.83 -0.13 0.00 -2.27 0.00 0.00 64.05 60.82 3gr9 n THR 175 Cb 0.00 0.77 -0.14 0.00 -2.10 0.00 0.00 70.33 68.86 3gr9 n THR 175 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3gr9 h PHE 176 N 2.80 0.20 -3.22 4.78 -1.00 -1.90 -3.48 116.94 115.12 3gr9 h PHE 176 Ca 0.00 -0.14 -0.45 0.00 2.81 0.00 0.00 57.97 60.19 3gr9 h PHE 176 Cb 0.75 -0.01 0.07 0.00 3.61 0.00 0.00 35.95 40.37 3gr9 h PHE 176 CO 0.21 1.24 0.12 0.20 -1.61 0.00 0.00 178.31 178.47 3gr9 s GLY 177 N -5.11 1.75 0.56 -1.45 0.00 -1.26 -4.91 107.32 96.89 3gr9 s GLY 177 Ca -0.08 -1.11 0.25 0.00 0.00 0.00 0.00 44.72 43.77 3gr9 s GLY 177 CO 0.82 -0.74 2.10 -2.00 0.00 0.00 0.00 173.10 173.28 3gr9 h LEU 178 N -0.34 0.00 -7.80 0.66 5.85 0.59 -3.42 115.31 110.85 3gr9 h LEU 178 Ca -0.43 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.20 3gr9 h LEU 178 Cb 1.31 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.19 3gr9 h LEU 178 CO 0.56 0.00 -0.37 -0.32 -0.34 0.00 0.00 178.44 177.97 3gr9 s MET 179 N -4.85 0.82 -0.05 1.25 1.75 -1.26 -4.50 119.30 112.47 3gr9 s MET 179 Ca -0.05 -0.91 -0.03 0.00 -1.25 0.00 0.00 55.69 53.45 3gr9 s MET 179 Cb 0.17 0.34 0.02 0.00 2.84 0.00 0.00 34.83 38.19 3gr9 s MET 179 CO 0.63 -0.26 0.12 0.20 -0.65 0.00 0.00 175.02 175.05 3gr9 s GLY 180 N -2.75 -0.06 0.05 2.11 0.00 -0.62 -2.12 107.32 103.94 3gr9 s GLY 180 Ca 0.04 0.42 0.02 0.00 0.00 0.00 0.00 44.72 45.20 3gr9 s GLY 180 CO -0.10 0.51 0.06 -0.51 0.00 0.00 0.00 173.10 173.06 3gr9 s THR 181 N 0.46 4.47 0.06 0.90 -4.23 -0.32 -0.94 115.64 116.04 3gr9 s THR 181 Ca -0.03 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 3gr9 s THR 181 Cb -0.05 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 3gr9 s THR 181 CO -0.02 0.21 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.86 3gr9 s PHE 182 N -1.30 0.59 -0.03 3.99 0.40 -0.59 -1.26 117.98 119.78 3gr9 s PHE 182 Ca 0.26 -0.90 0.05 0.00 -0.60 0.00 0.00 56.93 55.74 3gr9 s PHE 182 Cb -0.12 -0.39 -0.01 0.00 0.51 0.00 0.00 43.02 43.01 3gr9 s PHE 182 CO 0.18 -0.27 -0.17 0.45 0.70 0.00 0.00 175.22 176.12 3gr9 s SER 183 N -2.62 2.02 -0.32 1.36 0.15 -1.26 -1.71 113.70 111.31 3gr9 s SER 183 Ca 0.03 -0.32 0.09 0.00 0.70 0.00 0.00 55.95 56.45 3gr9 s SER 183 Cb 0.03 -0.38 0.46 0.00 -1.71 0.00 0.00 66.02 64.42 3gr9 s SER 183 CO -0.06 0.18 1.16 -1.54 1.20 0.00 0.00 173.24 174.17 3gr9 n SER 184 N 2.89 4.42 -4.88 5.45 3.41 0.15 -4.67 113.62 120.39 3gr9 n SER 184 Ca -0.16 -3.53 -0.29 0.00 -0.26 0.00 0.00 58.87 54.62 3gr9 n SER 184 Cb 0.54 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 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 -3.59 3.51 0.00 7.33 5.36 -1.24 -1.30 117.98 128.05 3gr9 s PHE 185 Ca 0.47 1.00 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 3gr9 s PHE 185 Cb 0.40 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 3gr9 s PHE 185 CO -0.02 -0.21 0.00 0.98 -1.46 0.00 0.00 175.22 174.52 3gr9 n TYR 186 N -1.71 0.00 -1.39 10.12 9.36 -1.11 -4.59 117.16 127.84 3gr9 n TYR 186 Ca 0.02 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.97 3gr9 n TYR 186 Cb 0.54 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.17 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 -1.01 6.82 -0.06 2.98 6.94 -1.26 -4.62 115.26 125.05 3gr9 n ASN 187 Ca 0.00 -2.83 -0.14 0.00 -0.02 0.00 0.00 54.58 51.58 3gr9 n ASN 187 Cb 0.00 -1.38 -0.06 0.00 -2.36 0.00 0.00 39.78 35.98 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 3.69 0.71 -3.99 -2.53 3.86 -1.85 -3.49 115.15 111.55 3gr9 h HIS 189 Ca 0.48 -0.25 -0.36 0.00 -1.16 0.00 0.00 60.37 59.08 3gr9 h HIS 189 Cb 0.82 -0.14 -0.25 0.00 1.06 0.00 0.00 27.41 28.90 3gr9 h HIS 189 CO 1.68 0.98 -0.77 0.96 0.86 0.00 0.00 177.93 181.64 3gr9 s ILE 190 N -4.11 0.74 -0.19 2.45 -4.36 -1.26 -5.03 121.20 109.43 3gr9 s ILE 190 Ca -0.13 -0.78 0.01 0.00 -0.26 0.00 0.00 60.65 59.50 3gr9 s ILE 190 Cb 0.07 -0.69 0.04 0.00 1.25 0.00 0.00 42.46 43.12 3gr9 s ILE 190 CO 0.81 -0.06 -0.13 0.00 0.24 0.00 0.00 174.94 175.80 3gr9 s ALA 191 N -0.77 2.14 -0.22 2.27 0.00 -1.26 -3.86 121.76 120.07 3gr9 s ALA 191 Ca -0.01 -1.24 0.16 0.00 0.00 0.00 0.00 51.96 50.87 3gr9 s ALA 191 Cb -0.07 -1.26 0.47 0.00 0.00 0.00 0.00 23.12 22.27 3gr9 s ALA 191 CO 0.00 -0.68 1.37 0.25 0.00 0.00 0.00 175.76 176.70 3gr9 n THR 192 N 4.65 2.13 0.00 0.00 -2.24 -0.42 -4.80 114.28 113.60 3gr9 n THR 192 Ca -0.17 -1.87 0.00 0.00 -2.27 0.00 0.00 64.05 59.75 3gr9 n THR 192 Cb 0.47 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.58 0.00 -4.26 -0.78 2.81 -1.25 -4.49 117.12 108.57 3gr9 n MET 193 Ca 0.20 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.94 3gr9 n MET 193 Cb 0.82 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 33.23 3gr9 n MET 193 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gr9 s GLU 194 N 0.00 1.20 0.00 0.03 0.41 -1.26 -2.75 118.70 116.33 3gr9 s GLU 194 Ca 0.00 -1.61 0.00 0.00 -0.41 0.00 0.00 54.97 52.95 3gr9 s GLU 194 Cb 0.00 -0.23 0.00 0.00 -1.78 0.00 0.00 34.13 32.12 3gr9 s GLU 194 CO 0.00 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 174.98 3gr9 n GLY 195 N -0.31 3.92 3.78 -1.39 0.00 -0.74 -4.80 105.19 105.65 3gr9 n GLY 195 Ca -0.04 -1.21 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.18 0.04 -0.02 0.00 -1.04 0.32 107.32 106.45 3gr9 s GLY 196 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.61 3gr9 s GLY 196 CO 0.00 0.06 0.23 0.00 0.00 0.00 0.00 173.10 173.39 3gr9 s ILE 198 N -2.48 1.47 0.15 0.00 1.01 -0.03 -1.54 121.20 119.78 3gr9 s ILE 198 Ca -0.06 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.88 3gr9 s ILE 198 Cb -0.01 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 3gr9 s ILE 198 CO -0.03 0.42 -0.13 0.68 0.00 0.00 0.00 174.94 175.87 3gr9 s VAL 199 N -0.29 1.41 0.12 2.92 -7.23 -0.12 -0.35 120.40 116.87 3gr9 s VAL 199 Ca 0.04 -1.92 -0.26 0.00 -1.81 0.00 0.00 61.98 58.03 3gr9 s VAL 199 Cb -0.09 -1.74 0.07 0.00 0.56 0.00 0.00 36.38 35.19 3gr9 s VAL 199 CO 0.00 -0.53 0.97 0.28 -0.31 0.00 0.00 175.10 175.51 3gr9 s THR 200 N -2.59 0.00 -1.14 5.32 -1.32 0.11 -1.59 115.64 114.43 3gr9 s THR 200 Ca 0.14 -0.55 0.10 0.00 -1.21 0.00 0.00 61.69 60.17 3gr9 s THR 200 Cb -0.02 -1.86 0.05 0.00 -1.51 0.00 0.00 72.50 69.16 3gr9 s THR 200 CO 0.03 0.00 0.74 0.47 -2.21 0.00 0.00 174.62 173.66 3gr9 n ASP 201 N -0.44 1.58 -4.56 8.08 8.00 -1.26 0.60 116.55 128.55 3gr9 n ASP 201 Ca -0.07 -1.29 -0.41 0.00 0.71 0.00 0.00 54.79 53.73 3gr9 n ASP 201 Cb 0.61 0.21 -0.08 0.00 -0.02 0.00 0.00 41.12 41.84 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 6.33 0.30 -2.24 -1.08 -1.26 -4.86 116.67 112.78 3gr9 s ASP 202 Ca 0.10 -0.01 0.04 0.00 -0.52 0.00 0.00 52.55 52.16 3gr9 s ASP 202 Cb 0.08 -2.28 0.49 0.00 -1.46 0.00 0.00 42.92 39.76 3gr9 s ASP 202 CO 0.18 -0.50 1.77 -0.08 0.52 0.00 0.00 175.17 177.07 3gr9 h GLU 203 N 8.46 0.46 0.89 4.34 4.81 -1.97 1.04 114.58 132.62 3gr9 h GLU 203 Ca -0.28 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 58.76 3gr9 h GLU 203 Cb 1.12 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.47 3gr9 h GLU 203 CO 0.78 0.63 -0.43 1.49 -0.73 0.00 0.00 179.01 180.75 3gr9 h GLU 204 N 0.42 -1.16 -0.56 1.92 4.81 -1.93 0.30 114.58 118.37 3gr9 h GLU 204 Ca 0.07 0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 3gr9 h GLU 204 Cb 0.57 0.26 -0.05 0.00 0.63 0.00 0.00 28.75 30.16 3gr9 h GLU 204 CO 0.04 -0.77 0.27 0.82 -0.73 0.00 0.00 179.01 178.63 3gr9 h ILE 205 N -1.20 0.90 -0.70 2.32 2.04 -1.94 0.11 117.51 119.04 3gr9 h ILE 205 Ca -0.12 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 65.65 3gr9 h ILE 205 Cb 0.92 0.36 -0.11 0.00 -0.74 0.00 0.00 36.82 37.24 3gr9 h ILE 205 CO 0.20 0.09 -0.49 0.22 0.00 0.00 0.00 178.15 178.17 3gr9 h TYR 206 N 0.50 -1.50 -0.38 1.37 3.20 0.19 0.16 116.97 120.51 3gr9 h TYR 206 Ca 0.26 0.10 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 3gr9 h TYR 206 Cb 0.21 0.75 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 3gr9 h TYR 206 CO -0.12 -0.42 0.09 0.45 -1.64 0.00 0.00 178.16 176.53 3gr9 h HIS 207 N -0.18 0.57 -0.34 -3.82 3.86 0.15 -2.86 115.15 112.53 3gr9 h HIS 207 Ca 0.17 -0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.42 3gr9 h HIS 207 Cb 0.54 -0.17 -0.08 0.00 1.06 0.00 0.00 27.41 28.76 3gr9 h HIS 207 CO -0.81 0.49 -0.20 0.82 0.86 0.00 0.00 177.93 179.09 3gr9 h ILE 208 N 0.55 0.43 -0.71 2.45 2.04 0.43 -0.14 117.51 122.56 3gr9 h ILE 208 Ca 0.13 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 3gr9 h ILE 208 Cb 0.21 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3gr9 h ILE 208 CO -0.00 0.00 0.23 -0.07 0.00 0.00 0.00 178.15 178.30 3gr9 h LEU 209 N -0.16 1.03 -1.51 1.44 4.07 -1.23 0.38 115.31 119.34 3gr9 h LEU 209 Ca 0.17 -0.21 0.01 0.00 0.08 0.00 0.00 57.88 57.93 3gr9 h LEU 209 Cb 0.42 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 3gr9 h LEU 209 CO -0.43 0.96 0.33 -0.07 -1.08 0.00 0.00 178.44 178.15 3gr9 h LEU 210 N 1.05 0.57 0.47 1.67 3.38 -1.29 1.67 115.31 122.84 3gr9 h LEU 210 Ca 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3gr9 h LEU 210 Cb 0.30 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3gr9 h LEU 210 CO -0.01 0.42 -0.23 0.00 0.09 0.00 0.00 178.44 178.71 3gr9 h ILE 212 N -0.92 0.00 0.00 0.00 3.07 0.15 -0.12 117.51 119.70 3gr9 h ILE 212 Ca -0.06 -0.55 -0.07 0.00 1.55 0.00 0.00 64.86 65.72 3gr9 h ILE 212 Cb 0.59 1.50 -0.01 0.00 -0.27 0.00 0.00 36.82 38.63 3gr9 h ILE 212 CO 0.11 0.00 -0.34 -0.09 -1.05 0.00 0.00 178.15 176.77 3gr9 h ARG 213 N 0.00 0.00 -2.60 0.16 2.43 0.23 -0.39 114.38 114.21 3gr9 h ARG 213 Ca 0.00 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.57 3gr9 h ARG 213 Cb 0.61 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.75 3gr9 h ARG 213 CO 0.00 0.34 -0.77 0.00 -1.51 0.00 0.00 179.97 178.03 3gr9 n ALA 214 N -2.28 3.21 -0.66 2.80 0.00 -1.18 -0.27 120.51 122.13 3gr9 n ALA 214 Ca -0.00 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.48 3gr9 n ALA 214 Cb 0.49 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3gr9 n ALA 214 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gr9 n HIS 215 N 2.05 0.00 -0.99 0.00 8.25 0.71 -2.80 115.22 122.44 3gr9 n HIS 215 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3gr9 n HIS 215 Cb 0.42 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.49 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 -1.97 0.49 3.88 -1.41 0.00 -0.06 -4.58 105.19 101.53 3gr9 n GLY 216 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 3.56 -2.21 1.61 -2.14 -1.12 -1.76 118.94 114.89 3gr9 s TRP 217 Ca 0.00 1.16 0.26 0.00 2.66 0.00 0.00 56.10 60.18 3gr9 s TRP 217 Cb 0.00 -2.71 1.29 0.00 -3.10 0.00 0.00 33.47 28.95 3gr9 s TRP 217 CO 0.00 -0.70 1.86 0.25 -2.66 0.00 0.00 176.95 175.70 3gr9 n THR 218 N -2.71 0.04 0.05 0.66 -2.24 -1.23 -4.42 114.28 104.43 3gr9 n THR 218 Ca 0.05 -0.14 0.03 0.00 -2.27 0.00 0.00 64.05 61.72 3gr9 n THR 218 Cb 0.55 0.01 0.14 0.00 -2.10 0.00 0.00 70.33 68.93 3gr9 n THR 218 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gr9 n ARG 219 N -0.36 0.03 -0.26 -0.78 1.74 -1.26 -0.38 116.66 115.40 3gr9 n ARG 219 Ca 0.19 0.46 0.06 0.00 -0.77 0.00 0.00 57.85 57.79 3gr9 n ARG 219 Cb 0.22 -1.73 0.09 0.00 -1.02 0.00 0.00 32.46 30.01 3gr9 n ARG 219 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3gr9 n ASN 220 N -1.63 1.46 -4.86 0.55 4.13 -1.26 -5.02 115.26 108.63 3gr9 n ASN 220 Ca -0.00 -2.69 -0.36 0.00 1.68 0.00 0.00 54.58 53.21 3gr9 n ASN 220 Cb 0.13 -0.35 -0.06 0.00 -1.54 0.00 0.00 39.78 37.96 3gr9 n ASN 220 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3gr9 s LEU 221 N -1.80 4.39 1.22 3.41 1.43 0.49 -4.95 118.68 122.88 3gr9 s LEU 221 Ca 0.20 0.84 -0.19 0.00 -1.03 0.00 0.00 54.13 53.95 3gr9 s LEU 221 Cb 0.18 -2.82 0.29 0.00 0.03 0.00 0.00 46.19 43.88 3gr9 s LEU 221 CO 0.01 0.23 1.07 -2.16 0.23 0.00 0.00 176.35 175.73 3gr9 s PRO 222 N -1.60 -1.37 0.02 1.29 0.04 -1.26 -4.93 135.00 127.19 3gr9 s PRO 222 Ca 0.29 0.10 -0.25 0.00 0.04 0.00 0.00 61.00 61.18 3gr9 s PRO 222 Cb -0.15 -1.56 -0.17 0.00 0.04 0.00 0.00 34.50 32.65 3gr9 s PRO 222 CO 0.16 -3.84 1.36 -0.22 0.04 0.00 0.00 177.00 174.50 3gr9 h LYS 223 N -2.68 -0.23 -5.28 4.56 3.11 -1.96 -3.38 116.57 110.70 3gr9 h LYS 223 Ca -0.47 0.02 -0.61 0.00 -2.81 0.00 0.00 60.65 56.78 3gr9 h LYS 223 Cb 1.31 0.05 -0.12 0.00 -1.00 0.00 0.00 32.23 32.47 3gr9 h LYS 223 CO 0.37 0.07 -0.41 0.21 -2.81 0.00 0.00 179.45 176.88 3gr9 s LYS 224 N -4.90 4.16 0.22 1.90 2.20 -1.26 -0.42 119.74 121.65 3gr9 s LYS 224 Ca -0.15 -0.10 -0.07 0.00 -0.36 0.00 0.00 55.97 55.30 3gr9 s LYS 224 Cb 0.03 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 3gr9 s LYS 224 CO 0.61 0.13 0.30 0.54 -0.36 0.00 0.00 175.35 176.57 3gr9 s ASN 225 N 0.77 0.03 0.00 1.43 2.20 0.26 -4.99 114.94 114.64 3gr9 s ASN 225 Ca 0.12 -1.16 0.28 0.00 -0.94 0.00 0.00 52.86 51.16 3gr9 s ASN 225 Cb -0.13 0.48 1.07 0.00 -2.00 0.00 0.00 41.25 40.67 3gr9 s ASN 225 CO 0.03 -0.99 1.76 0.29 -2.94 0.00 0.00 177.10 175.25 3gr9 n LYS 226 N -0.33 0.81 -0.05 3.55 4.76 -1.26 -2.11 118.16 123.54 3gr9 n LYS 226 Ca 0.00 -0.37 -0.05 0.00 -2.87 0.00 0.00 58.31 55.03 3gr9 n LYS 226 Cb 0.64 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.32 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 -0.77 0.87 0.10 -0.18 0.31 -1.26 -4.73 118.33 112.67 3gr9 n VAL 227 Ca 0.14 0.28 0.10 0.00 -0.01 0.00 0.00 64.34 64.85 3gr9 n VAL 227 Cb 0.30 -1.94 -0.01 0.00 -0.91 0.00 0.00 33.84 31.28 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 -3.60 0.70 0.00 2.52 -2.24 -1.26 -5.00 114.28 105.40 3gr9 n THR 228 Ca -0.07 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3gr9 n THR 228 Cb 0.28 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 1.21 2.12 2.99 3.38 0.00 -0.90 -4.81 105.19 109.18 3gr9 n GLY 229 Ca -0.01 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 1.87 0.49 1.61 1.01 -1.26 0.92 120.40 125.05 3gr9 s VAL 230 Ca 0.00 -1.59 -0.23 0.00 0.00 0.00 0.00 61.98 60.16 3gr9 s VAL 230 Cb 0.00 -2.13 -0.07 0.00 0.00 0.00 0.00 36.38 34.18 3gr9 s VAL 230 CO 0.00 -0.19 1.27 0.29 0.00 0.00 0.00 175.10 176.46 3gr9 n LYS 231 N 4.51 1.72 -1.98 2.72 5.02 0.44 -5.00 118.16 125.61 3gr9 n LYS 231 Ca -0.09 0.62 -0.29 0.00 -2.02 0.00 0.00 58.31 56.53 3gr9 n LYS 231 Cb 0.43 -2.43 0.17 0.00 -0.02 0.00 0.00 35.03 33.18 3gr9 n LYS 231 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gr9 s SER 232 N -0.76 3.32 -0.06 4.39 0.15 -1.26 -5.00 113.70 114.49 3gr9 s SER 232 Ca 0.67 0.26 0.10 0.00 0.70 0.00 0.00 55.95 57.68 3gr9 s SER 232 Cb -0.46 -0.37 -0.15 0.00 -1.71 0.00 0.00 66.02 63.33 3gr9 s SER 232 CO 0.53 -2.60 0.15 0.47 1.20 0.00 0.00 173.24 172.99 3gr9 n ASP 233 N -3.66 2.41 -4.55 5.45 9.92 -1.26 -4.84 116.55 120.02 3gr9 n ASP 233 Ca 0.15 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.07 3gr9 n ASP 233 Cb 0.60 1.16 -0.04 0.00 -0.64 0.00 0.00 41.12 42.20 3gr9 n ASP 233 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gr9 s ASP 234 N -3.77 4.91 0.16 -2.24 -1.08 -1.26 -4.73 116.67 108.67 3gr9 s ASP 234 Ca -0.05 0.29 -0.18 0.00 -0.52 0.00 0.00 52.55 52.09 3gr9 s ASP 234 Cb 0.05 -2.53 0.08 0.00 -1.46 0.00 0.00 42.92 39.06 3gr9 s ASP 234 CO 0.45 -2.72 1.66 -0.61 0.52 0.00 0.00 175.17 174.47 3gr9 h GLN 235 N 15.16 -0.07 -0.86 4.34 4.15 -1.95 1.64 115.11 137.52 3gr9 h GLN 235 Ca -0.16 0.00 0.35 0.00 0.77 0.00 0.00 58.65 59.61 3gr9 h GLN 235 Cb 1.14 0.02 -0.14 0.00 0.21 0.00 0.00 27.48 28.71 3gr9 h GLN 235 CO 1.18 -0.04 0.48 0.34 -1.93 0.00 0.00 178.83 178.86 3gr9 n PHE 236 N -5.33 0.88 -0.10 3.99 7.35 -1.26 0.69 117.46 123.67 3gr9 n PHE 236 Ca 0.02 0.88 -0.22 0.00 -0.76 0.00 0.00 57.45 57.37 3gr9 n PHE 236 Cb 0.24 -1.30 -0.12 0.00 0.35 0.00 0.00 39.48 38.65 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 -4.73 0.65 0.07 -4.13 4.07 0.47 -4.25 120.64 112.80 3gr9 n GLU 237 Ca 0.31 0.25 0.13 0.00 -0.06 0.00 0.00 57.16 57.79 3gr9 n GLU 237 Cb 1.08 -1.58 0.47 0.00 -0.06 0.00 0.00 31.44 31.34 3gr9 n GLU 237 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3gr9 n GLU 238 N -3.66 0.18 0.00 5.31 4.07 0.36 -2.47 120.64 124.43 3gr9 n GLU 238 Ca -0.43 0.16 0.14 0.00 -0.06 0.00 0.00 57.16 56.97 3gr9 n GLU 238 Cb 0.95 -1.71 0.68 0.00 -0.06 0.00 0.00 31.44 31.29 3gr9 n GLU 238 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3gr9 n SER 239 N -2.03 0.07 -1.76 4.31 2.88 0.22 -3.80 113.62 113.50 3gr9 n SER 239 Ca 0.06 -0.01 -0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3gr9 n SER 239 Cb 0.40 -0.30 0.06 0.00 -0.75 0.00 0.00 64.21 63.62 3gr9 n SER 239 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3gr9 n PHE 240 N -1.32 0.70 -4.25 0.66 3.72 -1.03 -4.95 117.46 110.99 3gr9 n PHE 240 Ca 0.12 -1.36 -0.34 0.00 -0.05 0.00 0.00 57.45 55.82 3gr9 n PHE 240 Cb 0.28 -0.22 -0.11 0.00 -0.94 0.00 0.00 39.48 38.49 3gr9 n PHE 240 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gr9 s LYS 241 N -2.12 3.77 -0.26 -1.08 1.02 -1.22 -5.04 119.74 114.82 3gr9 s LYS 241 Ca 0.35 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.91 3gr9 s LYS 241 Cb 0.37 -3.03 0.06 0.00 -0.52 0.00 0.00 37.83 34.71 3gr9 s LYS 241 CO -0.09 0.24 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.43 3gr9 s PHE 242 N 0.40 3.13 -0.61 3.18 0.08 -1.26 -3.48 117.98 119.43 3gr9 s PHE 242 Ca -0.01 -2.26 0.12 0.00 0.12 0.00 0.00 56.93 54.90 3gr9 s PHE 242 Cb -0.14 -1.91 -0.12 0.00 -0.57 0.00 0.00 43.02 40.28 3gr9 s PHE 242 CO 0.02 -0.86 0.52 1.33 -0.10 0.00 0.00 175.22 176.13 3gr9 n VAL 243 N 4.47 0.00 -3.78 -0.44 0.24 -0.72 -5.00 118.33 113.09 3gr9 n VAL 243 Ca -0.13 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 61.81 3gr9 n VAL 243 Cb 0.42 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.71 3gr9 n VAL 243 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gr9 s LEU 244 N -2.50 0.95 -1.15 1.34 1.43 -1.22 -5.06 118.68 112.47 3gr9 s LEU 244 Ca 0.05 0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 53.18 3gr9 s LEU 244 Cb 0.09 1.09 -0.06 0.00 0.03 0.00 0.00 46.19 47.34 3gr9 s LEU 244 CO 0.48 -0.31 1.91 -0.81 0.23 0.00 0.00 176.35 177.85 3gr9 n PRO 245 N 1.92 2.01 0.00 1.29 -0.05 -1.26 -4.25 135.00 134.66 3gr9 n PRO 245 Ca -0.18 -2.55 0.00 0.00 -0.05 0.00 0.00 63.50 60.72 3gr9 n PRO 245 Cb 0.57 -3.51 0.00 0.00 -0.05 0.00 0.00 33.50 30.50 3gr9 n PRO 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3gr9 n GLY 246 N 5.38 1.81 0.00 0.55 0.00 -1.26 -5.02 105.19 106.65 3gr9 n GLY 246 Ca 0.47 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3gr9 n GLY 246 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gr9 n TYR 247 N 0.00 -0.12 -3.65 1.61 4.02 -0.16 -4.84 117.16 114.03 3gr9 n TYR 247 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 3gr9 n TYR 247 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 3gr9 n TYR 247 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3gr9 n ASN 248 N -2.17 2.29 -2.95 7.72 5.15 -1.25 0.26 115.26 124.30 3gr9 n ASN 248 Ca 0.00 -3.06 -0.38 0.00 -0.60 0.00 0.00 54.58 50.54 3gr9 n ASN 248 Cb 0.00 -0.69 0.03 0.00 -0.53 0.00 0.00 39.78 38.59 3gr9 n ASN 248 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3gr9 n VAL 249 N 1.86 3.75 -2.64 3.44 0.24 0.63 -4.99 118.33 120.62 3gr9 n VAL 249 Ca 0.24 -4.63 -0.41 0.00 -2.04 0.00 0.00 64.34 57.50 3gr9 n VAL 249 Cb 0.40 -1.29 -0.05 0.00 -1.47 0.00 0.00 33.84 31.44 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 -4.03 4.72 0.31 7.34 0.52 -1.23 -2.44 118.95 124.14 3gr9 s ARG 250 Ca 0.50 1.59 -0.23 0.00 -0.52 0.00 0.00 55.73 57.06 3gr9 s ARG 250 Cb 0.40 -3.29 -0.10 0.00 0.52 0.00 0.00 34.95 32.48 3gr9 s ARG 250 CO -0.35 0.28 0.88 -1.25 0.02 0.00 0.00 175.30 174.88 3gr9 s PRO 251 N -0.70 4.41 0.42 3.54 0.04 -1.26 -4.43 135.00 137.02 3gr9 s PRO 251 Ca 0.45 1.14 -0.19 0.00 0.04 0.00 0.00 61.00 62.44 3gr9 s PRO 251 Cb -0.27 -2.70 -0.10 0.00 0.04 0.00 0.00 34.50 31.47 3gr9 s PRO 251 CO 0.33 0.25 0.90 -0.51 0.04 0.00 0.00 177.00 178.02 3gr9 s LEU 252 N -2.27 3.92 0.17 -3.56 1.43 -1.26 -3.54 118.68 113.57 3gr9 s LEU 252 Ca 0.50 1.57 -0.15 0.00 -1.03 0.00 0.00 54.13 55.03 3gr9 s LEU 252 Cb -0.16 -4.42 0.10 0.00 0.03 0.00 0.00 46.19 41.73 3gr9 s LEU 252 CO 0.21 -0.36 1.76 -0.08 0.23 0.00 0.00 176.35 178.11 3gr9 h GLU 253 N 1.83 0.34 -0.81 1.70 4.57 -1.22 -2.60 114.58 118.39 3gr9 h GLU 253 Ca -0.48 -0.02 0.17 0.00 -1.18 0.00 0.00 59.36 57.85 3gr9 h GLU 253 Cb 1.18 -0.08 -0.15 0.00 -0.16 0.00 0.00 28.75 29.54 3gr9 h GLU 253 CO 0.62 0.23 -0.13 0.52 -1.18 0.00 0.00 179.01 179.07 3gr9 h MET 254 N 0.35 0.02 0.00 1.92 2.86 -1.91 0.20 114.93 118.38 3gr9 h MET 254 Ca 0.19 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3gr9 h MET 254 Cb 0.15 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3gr9 h MET 254 CO -0.17 0.02 -0.09 0.77 1.06 0.00 0.00 176.91 178.49 3gr9 h SER 255 N 0.02 0.00 0.33 1.22 0.02 -1.69 -0.69 113.55 112.76 3gr9 h SER 255 Ca 0.41 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.21 3gr9 h SER 255 Cb 0.68 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3gr9 h SER 255 CO -0.80 0.09 -0.61 1.23 -1.14 0.00 0.00 176.83 175.59 3gr9 h GLY 256 N 0.32 0.31 2.00 -3.77 0.00 -0.55 -2.70 103.07 98.69 3gr9 h GLY 256 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 3gr9 h GLY 256 CO 0.01 0.35 -0.58 0.00 0.00 0.00 0.00 176.54 176.32 3gr9 h ALA 257 N 1.15 0.63 0.07 3.60 0.00 -0.73 -2.56 119.26 121.42 3gr9 h ALA 257 Ca -0.01 -0.53 -0.27 0.00 0.00 0.00 0.00 54.91 54.11 3gr9 h ALA 257 Cb 1.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3gr9 h ALA 257 CO 0.10 0.73 -1.32 0.82 0.00 0.00 0.00 179.25 179.58 3gr9 h ILE 258 N 0.00 1.38 -0.38 0.00 2.04 -1.18 -3.32 117.51 116.04 3gr9 h ILE 258 Ca -0.01 -3.05 -0.11 0.00 1.00 0.00 0.00 64.86 62.69 3gr9 h ILE 258 Cb 1.43 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 40.29 3gr9 h ILE 258 CO 0.08 0.84 -0.22 1.23 0.00 0.00 0.00 178.15 180.08 3gr9 h GLY 259 N 2.31 0.81 0.94 5.37 0.00 -1.52 -0.64 103.07 110.34 3gr9 h GLY 259 Ca -0.15 -0.69 0.02 0.00 0.00 0.00 0.00 47.33 46.51 3gr9 h GLY 259 CO 0.15 0.63 0.48 -2.22 0.00 0.00 0.00 176.54 175.58 3gr9 h ILE 260 N 0.65 1.15 -0.21 2.60 2.04 -1.55 0.39 117.51 122.59 3gr9 h ILE 260 Ca 0.09 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 3gr9 h ILE 260 Cb 0.73 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3gr9 h ILE 260 CO 0.06 0.18 -0.15 -0.33 0.00 0.00 0.00 178.15 177.90 3gr9 h GLU 261 N 0.97 0.47 -0.70 2.37 4.39 -1.52 -3.14 114.58 117.41 3gr9 h GLU 261 Ca 0.28 -0.23 0.13 0.00 0.34 0.00 0.00 59.36 59.89 3gr9 h GLU 261 Cb -0.05 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.50 3gr9 h GLU 261 CO -0.08 0.78 0.25 1.96 -1.16 0.00 0.00 179.01 180.76 3gr9 h GLN 262 N 0.15 0.38 0.00 2.33 1.08 -0.79 0.62 115.11 118.88 3gr9 h GLN 262 Ca 0.04 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3gr9 h GLN 262 Cb 0.67 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3gr9 h GLN 262 CO 0.04 0.25 0.00 -0.07 -0.95 0.00 0.00 178.83 178.10 3gr9 h LEU 263 N 0.39 0.00 0.03 1.46 3.38 -0.88 -2.57 115.31 117.12 3gr9 h LEU 263 Ca 0.38 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.27 3gr9 h LEU 263 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3gr9 h LEU 263 CO -0.39 0.00 -0.32 0.11 0.09 0.00 0.00 178.44 177.93 3gr9 h LYS 264 N 0.00 0.15 0.00 1.13 1.57 0.28 -3.34 116.57 116.37 3gr9 h LYS 264 Ca 0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3gr9 h LYS 264 Cb 0.12 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3gr9 h LYS 264 CO 0.00 1.03 0.00 0.36 -0.57 0.00 0.00 179.45 180.27 3gr9 n LYS 265 N -4.44 0.17 -0.26 3.15 2.85 -0.99 -4.22 118.16 114.41 3gr9 n LYS 265 Ca -0.11 0.28 -0.07 0.00 -1.05 0.00 0.00 58.31 57.36 3gr9 n LYS 265 Cb 0.58 -1.75 -0.06 0.00 -0.65 0.00 0.00 35.03 33.14 3gr9 n LYS 265 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3gr9 n LEU 266 N -2.05 -0.67 -0.35 -5.58 7.94 -1.08 0.20 117.00 115.41 3gr9 n LEU 266 Ca 0.04 1.44 0.04 0.00 -1.11 0.00 0.00 56.01 56.42 3gr9 n LEU 266 Cb 0.30 -0.30 0.11 0.00 0.53 0.00 0.00 43.42 44.06 3gr9 n LEU 266 CO 0.23 -1.07 0.65 -0.65 -1.11 0.00 0.00 177.39 175.44 3gr9 h PRO 267 N 0.00 -0.00 0.00 1.96 0.11 -1.84 3.65 132.00 135.88 3gr9 h PRO 267 Ca 0.10 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 3gr9 h PRO 267 Cb 0.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3gr9 h PRO 267 CO -0.59 -0.00 -0.56 0.07 -0.21 0.00 0.00 178.00 176.71 3gr9 h ARG 268 N -0.00 0.00 0.28 1.05 0.11 -0.96 0.37 114.38 115.23 3gr9 h ARG 268 Ca 0.43 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.50 3gr9 h ARG 268 Cb 0.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.76 3gr9 h ARG 268 CO -0.99 0.56 -0.13 0.74 0.10 0.00 0.00 179.97 180.24 3gr9 h PHE 269 N 0.00 -0.35 -0.30 4.08 -1.00 1.06 0.78 116.94 121.21 3gr9 h PHE 269 Ca -0.01 -0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.68 3gr9 h PHE 269 Cb 1.04 0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.70 3gr9 h PHE 269 CO 0.00 -0.19 -0.16 0.82 -1.61 0.00 0.00 178.31 177.18 3gr9 h ILE 270 N -0.42 1.24 0.54 -0.55 2.04 0.15 -2.31 117.51 118.20 3gr9 h ILE 270 Ca -0.04 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 3gr9 h ILE 270 Cb 0.32 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3gr9 h ILE 270 CO 0.06 0.36 -0.26 0.28 0.00 0.00 0.00 178.15 178.59 3gr9 h SER 271 N 0.49 -0.63 -0.81 1.72 0.02 -0.32 -2.08 113.55 111.95 3gr9 h SER 271 Ca 0.08 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.17 3gr9 h SER 271 Cb 0.56 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 63.18 3gr9 h SER 271 CO 0.04 -0.45 0.43 0.58 -1.14 0.00 0.00 176.83 176.29 3gr9 h VAL 272 N -0.73 0.82 -0.77 2.27 2.07 -0.71 -2.41 116.25 116.79 3gr9 h VAL 272 Ca -0.07 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3gr9 h VAL 272 Cb 0.56 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3gr9 h VAL 272 CO 0.12 0.12 0.43 0.03 0.02 0.00 0.00 177.57 178.30 3gr9 h ARG 273 N 0.68 1.07 -0.03 1.57 3.08 -1.25 -0.82 114.38 118.68 3gr9 h ARG 273 Ca 0.41 -0.11 -0.20 0.00 0.07 0.00 0.00 59.98 60.15 3gr9 h ARG 273 Cb 0.47 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3gr9 h ARG 273 CO -0.30 0.77 -0.82 0.00 -1.07 0.00 0.00 179.97 178.55 3gr9 h ARG 274 N 1.08 0.33 -0.49 0.04 3.08 -0.92 -0.70 114.38 116.80 3gr9 h ARG 274 Ca 0.28 -0.31 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 3gr9 h ARG 274 Cb 0.01 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3gr9 h ARG 274 CO -0.05 0.99 -0.14 0.87 -1.07 0.00 0.00 179.97 180.57 3gr9 h LYS 275 N 0.20 0.95 -0.61 0.04 1.57 -1.19 0.41 116.57 117.94 3gr9 h LYS 275 Ca -0.05 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 3gr9 h LYS 275 Cb 1.43 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.66 3gr9 h LYS 275 CO 0.14 1.02 0.03 -0.91 -0.57 0.00 0.00 179.45 179.16 3gr9 h ASN 276 N 0.84 1.01 -0.36 0.86 2.35 -0.94 -2.05 115.58 117.27 3gr9 h ASN 276 Ca 0.13 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 3gr9 h ASN 276 Cb 0.69 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3gr9 h ASN 276 CO 0.05 1.04 -0.06 0.00 -1.65 0.00 0.00 177.43 176.81 3gr9 h ALA 277 N 1.07 0.50 -1.00 -0.83 0.00 0.17 0.26 119.26 119.42 3gr9 h ALA 277 Ca 0.18 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gr9 h ALA 277 Cb 0.51 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3gr9 h ALA 277 CO 0.02 0.32 0.66 1.05 0.00 0.00 0.00 179.25 181.31 3gr9 h GLU 278 N 0.48 1.32 -0.41 0.00 4.11 -0.14 0.11 114.58 120.05 3gr9 h GLU 278 Ca 0.10 -0.08 -0.04 0.00 0.07 0.00 0.00 59.36 59.41 3gr9 h GLU 278 Cb 0.55 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3gr9 h GLU 278 CO 0.03 0.88 0.11 -0.92 0.07 0.00 0.00 179.01 179.17 3gr9 h TYR 279 N 1.36 0.67 -0.92 2.06 3.20 -1.04 -2.36 116.97 119.94 3gr9 h TYR 279 Ca 0.37 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3gr9 h TYR 279 Cb -0.15 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 37.88 3gr9 h TYR 279 CO 0.00 0.64 0.54 0.35 -1.64 0.00 0.00 178.16 178.04 3gr9 h PHE 280 N 0.51 1.22 -0.06 -3.82 3.04 -0.08 -0.94 116.94 116.81 3gr9 h PHE 280 Ca 0.13 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.97 3gr9 h PHE 280 Cb 0.29 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 3gr9 h PHE 280 CO 0.02 0.82 -0.43 -0.07 -2.02 0.00 0.00 178.31 176.63 3gr9 h LEU 281 N 1.27 0.15 -0.86 0.59 3.38 -0.73 -0.92 115.31 118.19 3gr9 h LEU 281 Ca 0.33 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 3gr9 h LEU 281 Cb -0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3gr9 h LEU 281 CO -0.06 0.56 0.09 -0.78 0.09 0.00 0.00 178.44 178.34 3gr9 h ASP 282 N 0.12 0.89 0.15 -0.43 3.58 -0.66 0.55 116.42 120.62 3gr9 h ASP 282 Ca 0.01 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.26 3gr9 h ASP 282 Cb 0.81 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.63 3gr9 h ASP 282 CO 0.06 0.90 -0.20 0.29 -2.88 0.00 0.00 179.24 177.41 3gr9 n LYS 283 N -4.23 1.12 0.00 0.28 4.76 -0.70 -4.08 118.16 115.32 3gr9 n LYS 283 Ca 0.04 -0.69 0.00 0.00 -2.87 0.00 0.00 58.31 54.79 3gr9 n LYS 283 Cb 0.27 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 3gr9 n LYS 283 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3gr9 n PHE 284 N -0.33 0.00 -0.32 2.13 3.01 -0.42 -4.83 117.46 116.69 3gr9 n PHE 284 Ca 0.14 0.00 0.31 0.00 1.01 0.00 0.00 57.45 58.91 3gr9 n PHE 284 Cb 0.36 0.00 0.58 0.00 -0.01 0.00 0.00 39.48 40.42 3gr9 n PHE 284 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3gr9 h LYS 285 N 0.00 0.02 -0.97 -1.08 5.09 -0.04 -2.03 116.57 117.56 3gr9 h LYS 285 Ca 0.00 -0.00 -0.44 0.00 0.09 0.00 0.00 60.65 60.30 3gr9 h LYS 285 Cb 0.03 -0.00 -0.41 0.00 0.10 0.00 0.00 32.23 31.94 3gr9 h LYS 285 CO 0.00 0.01 -0.97 -0.25 -2.09 0.00 0.00 179.45 176.15 3gr9 n ASP 286 N -5.25 3.13 -4.76 7.07 8.00 -1.26 -5.02 116.55 118.46 3gr9 n ASP 286 Ca 0.37 -3.07 -0.41 0.00 0.71 0.00 0.00 54.79 52.39 3gr9 n ASP 286 Cb 1.27 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 41.90 3gr9 n ASP 286 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3gr9 s HIS 287 N -3.49 2.72 0.12 1.24 2.46 -0.76 -4.92 115.29 112.66 3gr9 s HIS 287 Ca 0.38 0.94 -0.26 0.00 0.47 0.00 0.00 55.06 56.59 3gr9 s HIS 287 Cb 0.40 -4.03 -0.08 0.00 -0.13 0.00 0.00 32.58 28.75 3gr9 s HIS 287 CO -0.04 -3.29 1.44 -1.00 -2.47 0.00 0.00 174.74 169.38 3gr9 h PRO 288 N 4.23 -0.18 0.00 2.88 0.13 -1.95 -3.27 132.00 133.84 3gr9 h PRO 288 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3gr9 h PRO 288 Cb 1.23 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3gr9 h PRO 288 CO 0.74 -0.12 -0.02 2.48 -0.23 0.00 0.00 178.00 180.85 3gr9 n TYR 289 N -4.85 0.00 -5.14 1.56 4.11 -1.26 -4.97 117.16 106.61 3gr9 n TYR 289 Ca -0.01 -0.59 -0.29 0.00 -0.00 0.00 0.00 57.90 57.01 3gr9 n TYR 289 Cb 0.25 -0.08 -0.16 0.00 -0.00 0.00 0.00 39.34 39.35 3gr9 n TYR 289 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3gr9 s LEU 290 N -1.44 2.04 -0.03 -3.48 1.43 -1.23 -1.49 118.68 114.47 3gr9 s LEU 290 Ca 0.09 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 3gr9 s LEU 290 Cb 0.08 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 3gr9 s LEU 290 CO 0.01 0.27 -0.15 -1.81 0.23 0.00 0.00 176.35 174.90 3gr9 s ASP 291 N -0.48 3.95 0.23 2.29 1.01 -0.20 -4.24 116.67 119.23 3gr9 s ASP 291 Ca 0.07 -0.25 0.08 0.00 0.71 0.00 0.00 52.55 53.16 3gr9 s ASP 291 Cb -0.09 -0.78 -0.04 0.00 1.01 0.00 0.00 42.92 43.01 3gr9 s ASP 291 CO -0.00 0.33 0.07 0.68 0.21 0.00 0.00 175.17 176.46 3gr9 s VAL 292 N -0.77 3.93 0.14 -1.27 -7.23 -1.26 -1.43 120.40 112.52 3gr9 s VAL 292 Ca 0.12 -1.55 -0.31 0.00 -1.81 0.00 0.00 61.98 58.43 3gr9 s VAL 292 Cb -0.11 -3.07 -0.09 0.00 0.56 0.00 0.00 36.38 33.67 3gr9 s VAL 292 CO 0.02 -0.28 1.52 -1.58 -0.31 0.00 0.00 175.10 174.47 3gr9 s GLN 293 N -3.49 4.25 -0.27 4.82 0.74 -1.26 -4.98 119.66 119.47 3gr9 s GLN 293 Ca 0.31 2.27 -0.26 0.00 0.05 0.00 0.00 55.36 57.73 3gr9 s GLN 293 Cb -0.08 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.82 3gr9 s GLN 293 CO 0.21 -0.57 0.89 -1.14 -0.55 0.00 0.00 175.29 174.14 3gr9 s GLN 294 N 1.24 4.12 0.30 1.67 0.74 0.26 -4.99 119.66 123.00 3gr9 s GLN 294 Ca 0.69 0.93 -0.28 0.00 0.05 0.00 0.00 55.36 56.74 3gr9 s GLN 294 Cb -0.41 -3.68 -0.09 0.00 1.10 0.00 0.00 33.01 29.92 3gr9 s GLN 294 CO 0.31 -0.64 1.06 -2.00 -0.55 0.00 0.00 175.29 173.47 3gr9 s GLU 295 N 3.05 4.55 -0.02 1.67 2.12 -1.26 -4.15 118.70 124.66 3gr9 s GLU 295 Ca 0.37 1.68 0.06 0.00 0.36 0.00 0.00 54.97 57.45 3gr9 s GLU 295 Cb -0.14 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 3gr9 s GLU 295 CO 0.10 0.17 -0.21 0.99 -0.54 0.00 0.00 175.26 175.77 3gr9 s THR 296 N -1.29 1.65 0.00 -1.70 2.01 -1.26 -5.02 115.64 110.03 3gr9 s THR 296 Ca 0.47 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.59 3gr9 s THR 296 Cb -0.29 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 70.84 3gr9 s THR 296 CO 0.36 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 3gr9 n GLY 297 N 2.69 2.97 2.65 4.40 0.00 -1.26 -3.40 105.19 113.24 3gr9 n GLY 297 Ca -0.16 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 3gr9 n GLY 297 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gr9 n GLU 298 N 13.84 2.53 -0.91 1.61 1.02 -0.48 -5.01 120.64 133.25 3gr9 n GLU 298 Ca 0.00 -4.46 -0.29 0.00 -0.02 0.00 0.00 57.16 52.39 3gr9 n GLU 298 Cb 0.00 -2.08 0.01 0.00 -0.02 0.00 0.00 31.44 29.35 3gr9 n GLU 298 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3gr9 n SER 299 N 0.19 -2.84 -1.23 1.62 2.88 -1.22 -4.07 113.62 108.95 3gr9 n SER 299 Ca 0.29 0.46 0.10 0.00 -1.33 0.00 0.00 58.87 58.38 3gr9 n SER 299 Cb 0.45 -0.62 0.29 0.00 -0.75 0.00 0.00 64.21 63.58 3gr9 n SER 299 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3gr9 n SER 300 N 1.90 3.59 -3.89 -3.46 3.41 -0.79 -4.86 113.62 109.52 3gr9 n SER 300 Ca 0.05 -2.10 -0.35 0.00 -0.26 0.00 0.00 58.87 56.21 3gr9 n SER 300 Cb 0.35 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 63.86 3gr9 n SER 300 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3gr9 n TRP 301 N 1.24 -1.76 -0.30 7.33 7.02 -1.25 -4.83 117.44 124.89 3gr9 n TRP 301 Ca 0.21 0.47 0.09 0.00 -1.02 0.00 0.00 57.50 57.25 3gr9 n TRP 301 Cb 0.60 -2.86 0.31 0.00 -2.42 0.00 0.00 31.31 26.94 3gr9 n TRP 301 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 3gr9 h PHE 302 N -1.45 0.97 -2.19 -5.99 3.04 -1.41 -3.43 116.94 106.48 3gr9 h PHE 302 Ca -0.66 0.03 0.31 0.00 3.98 0.00 0.00 57.97 61.64 3gr9 h PHE 302 Cb 1.39 -0.31 -0.06 0.00 2.56 0.00 0.00 35.95 39.53 3gr9 h PHE 302 CO 0.30 0.40 0.85 0.41 -2.02 0.00 0.00 178.31 178.25 3gr9 n GLY 303 N -1.40 0.28 3.31 2.40 0.00 -1.26 -3.53 105.19 104.99 3gr9 n GLY 303 Ca 0.17 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 3gr9 n GLY 303 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gr9 s PHE 304 N -2.06 3.14 0.26 1.61 0.08 0.18 -4.83 117.98 116.36 3gr9 s PHE 304 Ca 0.29 -1.10 0.06 0.00 0.12 0.00 0.00 56.93 56.29 3gr9 s PHE 304 Cb -0.01 -2.22 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 3gr9 s PHE 304 CO 0.00 -0.61 0.33 -1.54 -0.10 0.00 0.00 175.22 173.30 3gr9 s SER 305 N 1.46 6.05 0.02 1.36 1.04 -1.26 0.06 113.70 122.42 3gr9 s SER 305 Ca 0.02 -0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 3gr9 s SER 305 Cb -0.17 -1.64 -0.01 0.00 0.10 0.00 0.00 66.02 64.30 3gr9 s SER 305 CO 0.01 -0.12 0.10 -0.36 0.98 0.00 0.00 173.24 173.85 3gr9 s PHE 306 N -2.05 0.14 -0.04 5.02 0.08 -0.12 -4.24 117.98 116.77 3gr9 s PHE 306 Ca 0.35 -0.33 -0.00 0.00 0.12 0.00 0.00 56.93 57.07 3gr9 s PHE 306 Cb -0.09 -0.11 0.03 0.00 -0.57 0.00 0.00 43.02 42.28 3gr9 s PHE 306 CO 0.28 -0.30 0.01 0.42 -0.10 0.00 0.00 175.22 175.53 3gr9 s ILE 307 N -1.85 0.17 0.52 0.64 1.01 -0.51 -0.67 121.20 120.51 3gr9 s ILE 307 Ca -0.11 0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.43 3gr9 s ILE 307 Cb -0.06 -0.29 -0.06 0.00 0.01 0.00 0.00 42.46 42.06 3gr9 s ILE 307 CO -0.01 0.16 1.35 -0.63 0.00 0.00 0.00 174.94 175.81 3gr9 s ILE 308 N 1.23 2.18 0.26 2.92 1.01 0.00 -1.03 121.20 127.77 3gr9 s ILE 308 Ca -0.07 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 3gr9 s ILE 308 Cb -0.13 -3.07 -0.09 0.00 0.01 0.00 0.00 42.46 39.17 3gr9 s ILE 308 CO -0.02 0.00 0.94 -0.54 0.00 0.00 0.00 174.94 175.32 3gr9 s LYS 309 N -2.79 4.77 0.32 2.79 1.02 -0.56 -4.83 119.74 120.46 3gr9 s LYS 309 Ca 0.69 1.43 -0.29 0.00 0.02 0.00 0.00 55.97 57.82 3gr9 s LYS 309 Cb -0.40 -3.13 -0.12 0.00 -0.52 0.00 0.00 37.83 33.66 3gr9 s LYS 309 CO 0.48 0.45 1.42 1.63 -0.92 0.00 0.00 175.35 178.41 3gr9 n LYS 310 N 1.20 2.36 -3.59 1.68 5.02 -1.26 -2.21 118.16 121.36 3gr9 n LYS 310 Ca -0.01 0.83 -0.21 0.00 -2.02 0.00 0.00 58.31 56.91 3gr9 n LYS 310 Cb 0.48 -2.51 0.06 0.00 -0.02 0.00 0.00 35.03 33.05 3gr9 n LYS 310 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3gr9 n ASP 311 N 1.26 -2.69 -0.07 4.39 8.00 -1.26 -4.90 116.55 121.27 3gr9 n ASP 311 Ca 0.06 -0.69 -0.08 0.00 0.71 0.00 0.00 54.79 54.79 3gr9 n ASP 311 Cb 0.36 -4.66 -0.09 0.00 -0.02 0.00 0.00 41.12 36.71 3gr9 n ASP 311 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gr9 n SER 312 N -3.06 2.11 -1.06 -2.24 3.41 -0.94 -5.03 113.62 106.81 3gr9 n SER 312 Ca -0.22 -0.03 -0.06 0.00 -0.26 0.00 0.00 58.87 58.31 3gr9 n SER 312 Cb 0.64 0.45 0.01 0.00 -0.26 0.00 0.00 64.21 65.05 3gr9 n SER 312 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gr9 n GLY 313 N 2.37 0.47 3.56 5.00 0.00 -1.26 -5.06 105.19 110.27 3gr9 n GLY 313 Ca -0.24 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 3gr9 n GLY 313 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gr9 s VAL 314 N -2.84 3.27 -0.10 1.61 1.01 -1.26 -5.14 120.40 116.96 3gr9 s VAL 314 Ca 0.10 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 60.76 3gr9 s VAL 314 Cb -0.04 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3gr9 s VAL 314 CO 0.13 0.11 -0.05 -0.63 0.00 0.00 0.00 175.10 174.65 3gr9 s ILE 315 N -1.21 3.80 0.04 2.22 -1.09 -1.26 -5.02 121.20 118.68 3gr9 s ILE 315 Ca 0.21 -0.42 -0.26 0.00 -2.23 0.00 0.00 60.65 57.94 3gr9 s ILE 315 Cb -0.11 -2.59 -0.17 0.00 -1.58 0.00 0.00 42.46 38.01 3gr9 s ILE 315 CO 0.13 0.57 1.44 -0.09 -1.23 0.00 0.00 174.94 175.76 3gr9 h ARG 316 N 5.71 -0.38 -1.49 2.79 2.43 -1.95 -0.31 114.38 121.17 3gr9 h ARG 316 Ca -0.43 0.03 0.48 0.00 -0.81 0.00 0.00 59.98 59.24 3gr9 h ARG 316 Cb 1.18 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.70 3gr9 h ARG 316 CO 0.56 -0.13 1.00 -0.22 -1.51 0.00 0.00 179.97 179.67 3gr9 h LYS 317 N -0.60 0.04 0.36 0.20 1.63 -1.95 0.42 116.57 116.66 3gr9 h LYS 317 Ca -0.04 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 3gr9 h LYS 317 Cb 0.43 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 3gr9 h LYS 317 CO 0.07 0.03 -0.17 1.96 -3.45 0.00 0.00 179.45 177.88 3gr9 h GLN 318 N 0.04 -0.46 -0.91 1.90 1.08 -1.49 -3.02 115.11 112.24 3gr9 h GLN 318 Ca 0.86 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 58.22 3gr9 h GLN 318 Cb 2.93 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 30.39 3gr9 h GLN 318 CO -0.32 -0.15 0.59 -0.07 -0.95 0.00 0.00 178.83 177.93 3gr9 h LEU 319 N -0.95 0.73 0.65 1.46 3.38 -0.25 -1.23 115.31 119.10 3gr9 h LEU 319 Ca -0.05 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3gr9 h LEU 319 Cb 0.53 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3gr9 h LEU 319 CO 0.08 0.38 -0.38 0.58 0.09 0.00 0.00 178.44 179.19 3gr9 h VAL 320 N 0.77 0.00 -1.00 1.22 2.07 -1.40 -0.08 116.25 117.84 3gr9 h VAL 320 Ca 0.46 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.25 3gr9 h VAL 320 Cb 0.64 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.28 3gr9 h VAL 320 CO -0.22 0.00 0.58 -0.33 0.02 0.00 0.00 177.57 177.62 3gr9 h GLU 321 N -0.95 0.47 0.71 1.57 5.08 -1.28 0.51 114.58 120.70 3gr9 h GLU 321 Ca -0.09 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3gr9 h GLU 321 Cb 0.76 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.91 3gr9 h GLU 321 CO 0.11 0.31 -0.34 -0.91 -1.00 0.00 0.00 179.01 177.18 3gr9 h ASN 322 N 0.49 -0.81 -0.06 1.42 -0.26 -0.91 -2.80 115.58 112.64 3gr9 h ASN 322 Ca 0.67 0.03 0.01 0.00 -0.56 0.00 0.00 56.30 56.45 3gr9 h ASN 322 Cb 1.38 0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 38.84 3gr9 h ASN 322 CO -0.52 -0.56 -0.04 -0.07 -1.06 0.00 0.00 177.43 175.19 3gr9 h LEU 323 N -1.01 -0.13 0.04 1.61 3.38 0.19 -2.06 115.31 117.33 3gr9 h LEU 323 Ca -0.10 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3gr9 h LEU 323 Cb 0.74 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 3gr9 h LEU 323 CO 0.16 -0.02 -0.49 0.78 0.09 0.00 0.00 178.44 178.96 3gr9 h ASN 324 N -0.00 -1.51 0.00 -0.43 -0.26 -1.05 0.22 115.58 112.56 3gr9 h ASN 324 Ca 0.01 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 3gr9 h ASN 324 Cb 0.03 0.57 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 3gr9 h ASN 324 CO -0.05 -0.52 0.00 -1.54 -1.06 0.00 0.00 177.43 174.26 3gr9 n SER 325 N -5.47 0.00 0.00 5.81 3.41 -1.06 0.40 113.62 116.72 3gr9 n SER 325 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3gr9 n SER 325 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3gr9 n SER 325 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gr9 n ALA 326 N -0.64 1.69 0.00 7.33 0.00 0.68 -5.02 120.51 124.54 3gr9 n ALA 326 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gr9 n ALA 326 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3gr9 n ALA 326 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gr9 n GLY 327 N 0.87 0.75 3.77 0.00 0.00 0.16 -4.78 105.19 105.97 3gr9 n GLY 327 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 5.29 -0.16 -0.61 -1.09 -0.84 -1.25 121.20 120.54 3gr9 s ILE 328 Ca 0.00 0.55 -0.21 0.00 -2.23 0.00 0.00 60.65 58.76 3gr9 s ILE 328 Cb 0.00 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 3gr9 s ILE 328 CO 0.00 0.46 0.60 -0.70 -1.23 0.00 0.00 174.94 174.07 3gr9 s GLU 329 N -0.03 4.28 0.05 2.79 2.12 0.26 -3.25 118.70 124.92 3gr9 s GLU 329 Ca 0.17 0.62 -0.00 0.00 0.36 0.00 0.00 54.97 56.12 3gr9 s GLU 329 Cb -0.13 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 3gr9 s GLU 329 CO 0.05 -0.09 -0.04 0.00 -0.54 0.00 0.00 175.26 174.64 3gr9 n ARG 331 N 0.53 0.46 -0.92 0.00 -4.01 -0.55 -4.95 116.66 107.22 3gr9 n ARG 331 Ca -0.17 -1.43 -0.29 0.00 -1.04 0.00 0.00 57.85 54.93 3gr9 n ARG 331 Cb 0.59 1.49 0.20 0.00 -3.04 0.00 0.00 32.46 31.70 3gr9 n ARG 331 CO 0.00 0.00 0.00 -2.14 -3.04 0.00 0.00 177.63 172.45 3gr9 s PRO 332 N -2.31 -0.08 -0.16 2.89 0.02 -1.26 0.10 135.00 134.21 3gr9 s PRO 332 Ca 0.14 0.67 -0.27 0.00 0.02 0.00 0.00 61.00 61.55 3gr9 s PRO 332 Cb -0.01 -1.67 -0.01 0.00 0.02 0.00 0.00 34.50 32.83 3gr9 s PRO 332 CO 0.10 -3.11 0.93 0.42 -0.33 0.00 0.00 177.00 175.00 3gr9 s ILE 333 N -2.76 4.81 0.00 2.83 1.09 -1.26 -4.27 121.20 121.64 3gr9 s ILE 333 Ca 0.66 1.85 0.00 0.00 -1.10 0.00 0.00 60.65 62.06 3gr9 s ILE 333 Cb -0.21 -4.23 0.00 0.00 -1.06 0.00 0.00 42.46 36.96 3gr9 s ILE 333 CO 0.60 -0.01 0.00 0.52 -0.10 0.00 0.00 174.94 175.95 3gr9 n VAL 334 N 4.76 0.00 -0.36 2.92 0.31 -1.26 0.22 118.33 124.91 3gr9 n VAL 334 Ca 0.07 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.45 3gr9 n VAL 334 Cb 0.48 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.53 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 1.32 -4.46 2.52 -2.24 -1.26 -5.03 114.28 105.13 3gr9 n THR 335 Ca 0.00 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 3gr9 n THR 335 Cb 0.00 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.20 0.04 3.56 3.38 0.00 0.13 -4.49 105.19 107.61 3gr9 n GLY 336 Ca 0.10 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 3gr9 n GLY 336 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gr9 s ASN 337 N -4.00 5.71 0.36 1.61 2.47 -1.26 -4.60 114.94 115.24 3gr9 s ASN 337 Ca 0.00 0.20 0.11 0.00 0.42 0.00 0.00 52.86 53.59 3gr9 s ASN 337 Cb 0.00 -2.54 0.89 0.00 -1.45 0.00 0.00 41.25 38.15 3gr9 s ASN 337 CO 0.00 -2.06 1.84 0.15 -3.72 0.00 0.00 177.10 173.31 3gr9 h PHE 338 N 12.79 0.78 0.00 0.43 3.57 -1.70 -2.16 116.94 130.66 3gr9 h PHE 338 Ca -0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3gr9 h PHE 338 Cb 1.12 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.62 3gr9 h PHE 338 CO 1.06 0.23 0.42 -0.07 -2.23 0.00 0.00 178.31 177.72 3gr9 h LEU 339 N 0.61 0.00 -0.12 0.59 4.07 -1.91 0.18 115.31 118.73 3gr9 h LEU 339 Ca 0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.45 3gr9 h LEU 339 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 3gr9 h LEU 339 CO -0.24 0.00 0.00 0.07 -1.08 0.00 0.00 178.44 177.19 3gr9 h LYS 340 N 0.00 0.00 -4.37 1.13 2.10 -1.80 -3.37 116.57 110.26 3gr9 h LYS 340 Ca 0.00 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.02 3gr9 h LYS 340 Cb 0.84 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.21 3gr9 h LYS 340 CO 0.00 0.00 2.36 0.09 -2.00 0.00 0.00 179.45 179.90 3gr9 n ASN 341 N -3.03 2.76 -0.37 7.07 3.02 0.62 -4.66 115.26 120.68 3gr9 n ASN 341 Ca 0.04 -2.66 0.05 0.00 -0.03 0.00 0.00 54.58 51.98 3gr9 n ASN 341 Cb 0.50 -1.14 0.21 0.00 -0.61 0.00 0.00 39.78 38.75 3gr9 n ASN 341 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3gr9 h THR 342 N 4.37 0.99 -0.70 3.41 1.35 -1.84 -2.62 112.91 117.86 3gr9 h THR 342 Ca 0.44 -0.37 0.01 0.00 -0.55 0.00 0.00 66.41 65.93 3gr9 h THR 342 Cb 0.63 -0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 66.83 3gr9 h THR 342 CO 1.92 0.20 0.46 0.44 -0.25 0.00 0.00 175.52 178.29 3gr9 h ASP 343 N 1.07 0.80 1.00 5.36 3.32 -1.97 -2.13 116.42 123.87 3gr9 h ASP 343 Ca 0.47 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.33 3gr9 h ASP 343 Cb 0.36 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3gr9 h ASP 343 CO -0.23 0.58 -0.84 1.62 -1.72 0.00 0.00 179.24 178.66 3gr9 h VAL 344 N 0.95 1.51 0.00 -1.35 3.04 -1.92 -2.98 116.25 115.49 3gr9 h VAL 344 Ca 0.26 -2.95 -0.01 0.00 -1.01 0.00 0.00 66.70 62.99 3gr9 h VAL 344 Cb -0.11 2.63 -0.00 0.00 -2.01 0.00 0.00 31.29 31.79 3gr9 h VAL 344 CO -0.06 0.82 -0.06 -0.07 -1.01 0.00 0.00 177.57 177.20 3gr9 h LEU 345 N 0.00 0.00 -2.15 3.16 3.38 -1.09 -1.13 115.31 117.48 3gr9 h LEU 345 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3gr9 h LEU 345 Cb 1.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 3gr9 h LEU 345 CO 0.11 0.06 0.27 0.11 0.09 0.00 0.00 178.44 179.07 3gr9 h LYS 346 N 0.00 0.00 -0.01 1.13 1.79 -1.23 0.38 116.57 118.62 3gr9 h LYS 346 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gr9 h LYS 346 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3gr9 h LYS 346 CO 0.01 0.00 -0.18 0.66 -1.08 0.00 0.00 179.45 178.85 3gr9 n TYR 347 N -3.82 0.00 -3.60 -1.35 4.02 -0.43 -4.94 117.16 107.04 3gr9 n TYR 347 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.73 3gr9 n TYR 347 Cb 0.41 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.60 3gr9 n TYR 347 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3gr9 s PHE 348 N -2.40 3.11 -0.35 -0.72 0.40 0.12 -5.01 117.98 113.13 3gr9 s PHE 348 Ca 0.28 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.41 3gr9 s PHE 348 Cb 0.20 -1.90 0.10 0.00 0.51 0.00 0.00 43.02 41.93 3gr9 s PHE 348 CO 0.48 0.09 0.09 0.34 0.70 0.00 0.00 175.22 176.91 3gr9 s ASP 349 N -4.11 4.92 0.11 1.36 2.15 -1.26 -5.05 116.67 114.79 3gr9 s ASP 349 Ca 0.43 -1.97 -0.08 0.00 0.43 0.00 0.00 52.55 51.36 3gr9 s ASP 349 Cb -0.09 -1.70 -0.01 0.00 -0.30 0.00 0.00 42.92 40.82 3gr9 s ASP 349 CO 0.30 -0.41 0.20 -0.72 -0.17 0.00 0.00 175.17 174.37 3gr9 s TYR 350 N 1.03 0.29 -0.05 -5.34 1.13 -1.26 -0.99 117.35 112.16 3gr9 s TYR 350 Ca 0.07 -0.71 -0.05 0.00 -1.41 0.00 0.00 57.07 54.97 3gr9 s TYR 350 Cb -0.20 -0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.56 3gr9 s TYR 350 CO -0.06 -0.59 0.15 -0.08 -2.51 0.00 0.00 175.55 172.46 3gr9 s THR 351 N -3.91 0.01 -0.38 -3.49 -1.32 0.10 -4.90 115.64 101.75 3gr9 s THR 351 Ca 0.10 -0.06 -0.17 0.00 -1.21 0.00 0.00 61.69 60.35 3gr9 s THR 351 Cb 0.05 -0.24 0.01 0.00 -1.51 0.00 0.00 72.50 70.81 3gr9 s THR 351 CO -0.07 -0.03 0.44 -0.69 -2.21 0.00 0.00 174.62 172.06 3gr9 s VAL 352 N -0.05 5.08 0.12 5.08 1.01 -1.26 -1.75 120.40 128.63 3gr9 s VAL 352 Ca -0.01 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 3gr9 s VAL 352 Cb -0.02 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 3gr9 s VAL 352 CO 0.00 -0.29 1.75 -2.28 0.00 0.00 0.00 175.10 174.28 3gr9 s HIS 353 N 2.19 2.36 0.00 5.22 2.46 0.17 -4.54 115.29 123.14 3gr9 s HIS 353 Ca 0.14 0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.82 3gr9 s HIS 353 Cb -0.16 -4.10 0.00 0.00 -0.13 0.00 0.00 32.58 28.19 3gr9 s HIS 353 CO 0.13 -4.43 0.00 -1.71 -2.47 0.00 0.00 174.74 166.26 3gr9 n ASN 354 N 5.36 0.00 -3.53 9.88 5.15 -1.26 -4.52 115.26 126.33 3gr9 n ASN 354 Ca 0.17 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.05 3gr9 n ASN 354 Cb 0.38 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.61 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 0.18 -0.36 1.20 2.20 -1.26 -5.07 114.94 107.83 3gr9 s ASN 355 Ca 0.00 -1.09 0.14 0.00 -0.94 0.00 0.00 52.86 50.98 3gr9 s ASN 355 Cb 0.00 0.69 0.45 0.00 -2.00 0.00 0.00 41.25 40.38 3gr9 s ASN 355 CO 0.00 -1.34 0.99 1.33 -2.94 0.00 0.00 177.10 175.14 3gr9 n VAL 356 N -0.48 1.36 0.23 3.54 0.24 -1.26 -4.06 118.33 117.90 3gr9 n VAL 356 Ca -0.03 -3.61 0.07 0.00 -2.04 0.00 0.00 64.34 58.73 3gr9 n VAL 356 Cb 0.61 0.11 0.54 0.00 -1.47 0.00 0.00 33.84 33.63 3gr9 n VAL 356 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3gr9 h ASP 357 N 2.89 0.00 -0.03 -1.34 3.32 -1.97 -2.17 116.42 117.12 3gr9 h ASP 357 Ca 0.01 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 3gr9 h ASP 357 Cb 1.10 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.66 3gr9 h ASP 357 CO 0.60 0.21 -0.50 0.78 -1.72 0.00 0.00 179.24 178.60 3gr9 h ASN 358 N 0.00 0.49 -0.33 6.45 2.35 -1.91 0.23 115.58 122.85 3gr9 h ASN 358 Ca -0.00 -0.73 -0.04 0.00 -0.55 0.00 0.00 56.30 54.98 3gr9 h ASN 358 Cb 0.42 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3gr9 h ASN 358 CO 0.03 1.15 0.10 0.00 -1.65 0.00 0.00 177.43 177.05 3gr9 h ALA 359 N 0.35 1.41 -0.64 -0.83 0.00 -1.82 0.70 119.26 118.43 3gr9 h ALA 359 Ca -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3gr9 h ALA 359 Cb 1.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3gr9 h ALA 359 CO 0.10 0.43 0.29 0.93 0.00 0.00 0.00 179.25 181.00 3gr9 h GLU 360 N 0.59 0.94 -0.19 0.00 5.08 -1.33 0.47 114.58 120.15 3gr9 h GLU 360 Ca 0.14 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 3gr9 h GLU 360 Cb 0.23 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.32 3gr9 h GLU 360 CO -0.00 0.77 -0.70 -0.92 -1.00 0.00 0.00 179.01 177.15 3gr9 h TYR 361 N 0.89 1.02 -0.13 4.33 5.03 0.13 -3.01 116.97 125.22 3gr9 h TYR 361 Ca 0.22 -0.42 0.03 0.00 2.58 0.00 0.00 58.73 61.14 3gr9 h TYR 361 Cb 0.16 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.23 3gr9 h TYR 361 CO 0.01 1.25 -0.08 1.25 -1.32 0.00 0.00 178.16 179.26 3gr9 h LEU 362 N 0.55 -0.26 -0.96 2.82 6.46 0.53 0.10 115.31 124.55 3gr9 h LEU 362 Ca -0.03 0.06 0.27 0.00 -0.12 0.00 0.00 57.88 58.06 3gr9 h LEU 362 Cb 1.32 0.14 -0.14 0.00 -0.73 0.00 0.00 40.66 41.25 3gr9 h LEU 362 CO 0.15 -0.11 0.49 -0.78 -0.62 0.00 0.00 178.44 177.56 3gr9 h ASP 363 N -0.08 0.42 0.05 1.25 3.58 0.07 0.12 116.42 121.83 3gr9 h ASP 363 Ca 0.08 0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.65 3gr9 h ASP 363 Cb 0.19 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 3gr9 h ASP 363 CO -0.18 -0.07 -2.01 0.29 -2.88 0.00 0.00 179.24 174.39 3gr9 n LYS 364 N -5.05 0.66 -0.17 0.28 4.76 -1.08 -4.59 118.16 112.97 3gr9 n LYS 364 Ca 0.27 -0.16 0.07 0.00 -2.87 0.00 0.00 58.31 55.62 3gr9 n LYS 364 Cb 0.83 -1.54 0.14 0.00 -1.84 0.00 0.00 35.03 32.63 3gr9 n LYS 364 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3gr9 n ASN 365 N -2.35 2.79 -4.54 4.39 3.02 0.33 -4.62 115.26 114.28 3gr9 n ASN 365 Ca -0.08 -2.63 -0.27 0.00 -0.03 0.00 0.00 54.58 51.57 3gr9 n ASN 365 Cb 0.65 -0.33 -0.10 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.86 1.73 0.28 7.41 0.00 0.36 -0.82 107.32 114.42 3gr9 s GLY 366 Ca 0.26 -1.46 -0.06 0.00 0.00 0.00 0.00 44.72 43.46 3gr9 s GLY 366 CO 0.06 -1.48 0.40 0.48 0.00 0.00 0.00 173.10 172.57 3gr9 s LEU 367 N -2.67 0.82 -0.07 0.66 -0.00 0.15 -4.50 118.68 113.07 3gr9 s LEU 367 Ca 0.23 -1.28 -0.14 0.00 -0.00 0.00 0.00 54.13 52.94 3gr9 s LEU 367 Cb -0.09 1.33 0.03 0.00 -0.00 0.00 0.00 46.19 47.46 3gr9 s LEU 367 CO 0.14 -1.15 0.34 0.12 -0.00 0.00 0.00 176.35 175.80 3gr9 s PHE 368 N -3.62 -0.29 0.27 3.48 2.19 0.29 -0.95 117.98 119.35 3gr9 s PHE 368 Ca 0.30 0.61 0.05 0.00 0.33 0.00 0.00 56.93 58.22 3gr9 s PHE 368 Cb 0.01 0.12 -0.06 0.00 -1.31 0.00 0.00 43.02 41.78 3gr9 s PHE 368 CO 0.15 -0.30 -0.04 0.14 1.83 0.00 0.00 175.22 177.00 3gr9 s VAL 369 N -0.61 1.43 0.25 3.12 -7.23 0.11 -1.49 120.40 115.99 3gr9 s VAL 369 Ca -0.07 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.06 3gr9 s VAL 369 Cb -0.04 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 3gr9 s VAL 369 CO 0.03 -0.30 0.36 -0.83 -0.31 0.00 0.00 175.10 174.05 3gr9 s GLY 370 N -3.40 1.27 -0.01 2.32 0.00 -1.26 0.49 107.32 106.72 3gr9 s GLY 370 Ca 0.29 -1.27 0.04 0.00 0.00 0.00 0.00 44.72 43.78 3gr9 s GLY 370 CO 0.11 -1.28 -0.10 0.21 0.00 0.00 0.00 173.10 172.04 3gr9 s ASN 371 N -3.99 4.39 0.43 1.64 3.84 -1.23 -4.63 114.94 115.40 3gr9 s ASN 371 Ca 0.35 -0.18 0.01 0.00 0.21 0.00 0.00 52.86 53.25 3gr9 s ASN 371 Cb -0.09 -0.98 -0.00 0.00 -0.55 0.00 0.00 41.25 39.63 3gr9 s ASN 371 CO 0.29 0.30 0.03 1.41 -2.79 0.00 0.00 177.10 176.34 3gr9 n HIS 372 N 1.77 0.84 0.44 0.43 8.25 -1.26 -4.80 115.22 120.90 3gr9 n HIS 372 Ca -0.16 -2.26 0.11 0.00 -0.26 0.00 0.00 57.72 55.15 3gr9 n HIS 372 Cb 0.52 -0.23 0.26 0.00 1.12 0.00 0.00 29.99 31.67 3gr9 n HIS 372 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gr9 n GLN 373 N -1.06 2.31 -4.09 -0.41 0.00 -1.26 -4.29 117.38 108.58 3gr9 n GLN 373 Ca -0.16 -1.99 -0.35 0.00 0.00 0.00 0.00 57.00 54.50 3gr9 n GLN 373 Cb 0.57 -1.47 -0.07 0.00 0.00 0.00 0.00 30.24 29.26 3gr9 n GLN 373 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3gr9 s ILE 374 N -1.47 4.93 0.20 -0.39 1.01 -1.26 -4.71 121.20 119.51 3gr9 s ILE 374 Ca 0.38 -0.11 -0.32 0.00 0.00 0.00 0.00 60.65 60.60 3gr9 s ILE 374 Cb 0.21 -3.16 -0.11 0.00 0.01 0.00 0.00 42.46 39.41 3gr9 s ILE 374 CO 0.29 0.53 1.65 -1.83 0.00 0.00 0.00 174.94 175.58 3gr9 s GLU 375 N -1.21 4.16 -0.29 2.79 -1.05 -1.26 -4.93 118.70 116.91 3gr9 s GLU 375 Ca 0.17 2.50 0.08 0.00 -0.15 0.00 0.00 54.97 57.58 3gr9 s GLU 375 Cb -0.12 -3.10 0.47 0.00 -0.44 0.00 0.00 34.13 30.94 3gr9 s GLU 375 CO 0.07 -0.68 1.37 1.28 0.95 0.00 0.00 175.26 178.25 3gr9 n LEU 376 N 3.82 4.05 0.06 1.83 4.77 -1.26 -4.86 117.00 125.40 3gr9 n LEU 376 Ca 0.14 -4.04 -0.13 0.00 -0.03 0.00 0.00 56.01 51.96 3gr9 n LEU 376 Cb 0.37 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 3gr9 n LEU 376 CO 0.63 1.49 0.51 -0.26 -1.33 0.00 0.00 177.39 178.42 3gr9 h PHE 377 N 1.28 -1.23 -0.58 -1.77 0.04 -1.95 0.68 116.94 113.40 3gr9 h PHE 377 Ca 0.21 0.04 0.10 0.00 2.80 0.00 0.00 57.97 61.11 3gr9 h PHE 377 Cb 1.40 0.53 -0.07 0.00 2.20 0.00 0.00 35.95 40.01 3gr9 h PHE 377 CO 0.95 -0.46 0.17 0.22 -0.60 0.00 0.00 178.31 178.60 3gr9 h ASP 378 N -0.55 0.12 -0.03 2.17 1.82 -1.98 0.38 116.42 118.35 3gr9 h ASP 378 Ca 0.00 0.09 -0.07 0.00 -0.39 0.00 0.00 57.03 56.66 3gr9 h ASP 378 Cb 0.58 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.67 3gr9 h ASP 378 CO -0.27 0.08 -0.19 -0.33 -1.61 0.00 0.00 179.24 176.92 3gr9 h GLU 379 N 0.33 0.39 0.31 0.28 3.07 -1.76 0.59 114.58 117.79 3gr9 h GLU 379 Ca 0.30 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 3gr9 h GLU 379 Cb 0.39 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3gr9 h GLU 379 CO -0.33 0.57 -0.15 0.82 -1.40 0.00 0.00 179.01 178.51 3gr9 h ILE 380 N 0.36 0.70 -0.90 3.13 2.04 0.27 0.20 117.51 123.30 3gr9 h ILE 380 Ca 0.06 -0.52 0.14 0.00 1.00 0.00 0.00 64.86 65.54 3gr9 h ILE 380 Cb 0.54 0.96 -0.15 0.00 -0.74 0.00 0.00 36.82 37.43 3gr9 h ILE 380 CO 0.04 0.10 -0.37 0.44 0.00 0.00 0.00 178.15 178.36 3gr9 h ASP 381 N -0.72 -1.35 0.13 1.72 3.32 -0.03 0.40 116.42 119.89 3gr9 h ASP 381 Ca -0.04 0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3gr9 h ASP 381 Cb 0.49 0.71 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3gr9 h ASP 381 CO 0.07 -0.29 -0.21 0.22 -1.72 0.00 0.00 179.24 177.31 3gr9 h TYR 382 N -0.04 -0.59 -0.78 4.55 3.20 0.37 -2.04 116.97 121.64 3gr9 h TYR 382 Ca 0.32 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.36 3gr9 h TYR 382 Cb 0.59 0.24 -0.15 0.00 1.54 0.00 0.00 36.73 38.95 3gr9 h TYR 382 CO -0.81 -0.26 -0.20 -0.11 -1.64 0.00 0.00 178.16 175.14 3gr9 n LEU 383 N -3.61 -0.30 0.23 2.82 7.94 0.11 0.29 117.00 124.47 3gr9 n LEU 383 Ca -0.04 1.35 0.08 0.00 -1.11 0.00 0.00 56.01 56.29 3gr9 n LEU 383 Cb 0.18 -0.40 0.62 0.00 0.53 0.00 0.00 43.42 44.35 3gr9 n LEU 383 CO 0.09 -1.29 1.08 -0.09 -1.11 0.00 0.00 177.39 176.07 3gr9 h ARG 384 N 0.00 0.05 0.01 1.96 9.65 0.01 0.20 114.38 126.25 3gr9 h ARG 384 Ca 0.37 -0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 59.02 3gr9 h ARG 384 Cb 0.56 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3gr9 h ARG 384 CO -0.80 0.03 -0.94 1.49 2.80 0.00 0.00 179.97 182.54 3gr9 h GLU 385 N 0.05 0.37 0.58 0.20 4.57 0.49 -3.30 114.58 117.55 3gr9 h GLU 385 Ca 0.02 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 57.77 3gr9 h GLU 385 Cb 0.04 0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3gr9 h GLU 385 CO -0.00 1.08 -0.28 0.28 -1.18 0.00 0.00 179.01 178.91 3gr9 h VAL 386 N 0.20 0.25 0.00 0.32 2.07 0.69 -3.20 116.25 116.58 3gr9 h VAL 386 Ca -0.08 -0.36 -0.54 0.00 0.82 0.00 0.00 66.70 66.55 3gr9 h VAL 386 Cb 1.58 0.35 0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3gr9 h VAL 386 CO 0.16 0.04 2.71 0.18 0.02 0.00 0.00 177.57 180.68 3gr9 n LEU 387 N -5.33 5.32 0.00 2.57 4.77 0.44 -5.05 117.00 119.71 3gr9 n LEU 387 Ca -0.11 -3.20 0.11 0.00 -0.03 0.00 0.00 56.01 52.78 3gr9 n LEU 387 Cb 0.34 -1.22 0.66 0.00 -2.33 0.00 0.00 43.42 40.87 3gr9 n LEU 387 CO 0.30 0.52 0.85 1.17 -1.33 0.00 0.00 177.39 178.90