#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m99 n ILE 3 N 0.00 0.00 -3.33 2.46 -6.64 -1.26 -5.06 119.36 105.53 3m99 n ILE 3 Ca 0.00 0.00 -0.27 0.00 -1.77 0.00 0.00 62.75 60.71 3m99 n ILE 3 Cb 0.00 -0.39 0.02 0.00 -1.44 0.00 0.00 39.64 37.83 3m99 n ILE 3 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3m99 h PRO 5 N 1.68 0.00 0.06 0.00 0.13 -1.99 -3.01 132.00 128.88 3m99 h PRO 5 Ca -0.39 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.75 3m99 h PRO 5 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 3m99 h PRO 5 CO 0.24 0.00 -0.39 0.45 -0.23 0.00 0.00 178.00 178.07 3m99 h HIS 6 N 0.00 -1.13 0.00 1.56 3.86 -1.99 0.72 115.15 118.16 3m99 h HIS 6 Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3m99 h HIS 6 Cb 0.01 0.49 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 3m99 h HIS 6 CO 0.00 -0.43 -0.11 0.82 0.86 0.00 0.00 177.93 179.06 3m99 h ILE 7 N -0.53 0.78 -0.40 2.45 5.03 -1.86 -0.07 117.51 122.90 3m99 h ILE 7 Ca -0.00 -0.44 -0.02 0.00 -0.12 0.00 0.00 64.86 64.27 3m99 h ILE 7 Cb 0.55 1.26 -0.02 0.00 -3.03 0.00 0.00 36.82 35.58 3m99 h ILE 7 CO -0.23 0.11 0.16 1.56 -0.68 0.00 0.00 178.15 179.08 3m99 h GLN 8 N 0.00 0.60 -0.14 2.37 4.20 -1.21 0.33 115.11 121.26 3m99 h GLN 8 Ca -0.00 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3m99 h GLN 8 Cb 0.25 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3m99 h GLN 8 CO 0.01 0.56 0.08 1.96 -0.67 0.00 0.00 178.83 180.78 3m99 h GLN 9 N 0.51 0.19 -0.16 1.46 4.20 0.17 -1.92 115.11 119.57 3m99 h GLN 9 Ca 0.13 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3m99 h GLN 9 Cb 0.19 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3m99 h GLN 9 CO -0.01 0.20 0.02 0.28 -0.67 0.00 0.00 178.83 178.65 3m99 h VAL 10 N 0.13 1.09 -0.00 -0.54 2.07 -0.91 -1.86 116.25 116.23 3m99 h VAL 10 Ca 0.05 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3m99 h VAL 10 Cb 0.06 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3m99 h VAL 10 CO -0.01 0.11 -0.12 0.49 0.02 0.00 0.00 177.57 178.07 3m99 n PHE 11 N -4.43 0.00 0.05 1.57 0.99 0.12 -3.31 117.46 112.44 3m99 n PHE 11 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.32 3m99 n PHE 11 Cb 0.14 -0.21 -0.09 0.00 -1.00 0.00 0.00 39.48 38.33 3m99 n PHE 11 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 3m99 h GLN 12 N 0.49 -0.17 -5.91 -1.08 4.20 -0.56 -3.38 115.11 108.70 3m99 h GLN 12 Ca 0.00 0.01 -0.55 0.00 0.06 0.00 0.00 58.65 58.17 3m99 h GLN 12 Cb 0.37 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 3m99 h GLN 12 CO 0.00 0.28 1.51 1.21 -0.67 0.00 0.00 178.83 181.17 3m99 s ASN 13 N -5.50 5.22 0.00 1.46 3.04 -1.21 -4.80 114.94 113.15 3m99 s ASN 13 Ca -0.14 1.61 0.25 0.00 0.04 0.00 0.00 52.86 54.62 3m99 s ASN 13 Cb 0.01 -2.51 1.50 0.00 -1.54 0.00 0.00 41.25 38.71 3m99 s ASN 13 CO 0.56 -2.19 1.94 1.21 -3.04 0.00 0.00 177.10 175.58 3m99 n GLU 14 N 8.82 0.96 0.00 0.43 0.00 -1.26 -1.83 120.64 127.75 3m99 n GLU 14 Ca 0.31 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.58 3m99 n GLU 14 Cb 0.48 -1.41 -0.15 0.00 0.00 0.00 0.00 31.44 30.36 3m99 n GLU 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3m99 n LYS 15 N -0.91 0.59 -0.04 5.31 4.81 -1.26 -3.75 118.16 122.91 3m99 n LYS 15 Ca 0.19 -0.15 -0.17 0.00 -0.87 0.00 0.00 58.31 57.30 3m99 n LYS 15 Cb 0.09 -1.54 -0.13 0.00 0.02 0.00 0.00 35.03 33.46 3m99 n LYS 15 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 3m99 h SER 16 N 0.00 0.15 -0.72 3.14 0.02 -1.58 -3.33 113.55 111.23 3m99 h SER 16 Ca 0.00 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 3m99 h SER 16 Cb 0.95 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 3m99 h SER 16 CO 0.00 1.24 0.46 0.07 -1.14 0.00 0.00 176.83 177.46 3m99 h LYS 17 N -0.78 0.96 0.00 3.45 2.10 -1.63 0.25 116.57 120.92 3m99 h LYS 17 Ca -0.12 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 3m99 h LYS 17 Cb 1.28 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3m99 h LYS 17 CO 0.00 0.66 0.00 -0.25 -2.00 0.00 0.00 179.45 177.86 3m99 n ASP 18 N -4.41 0.00 0.00 7.07 9.92 -1.25 -1.00 116.55 126.89 3m99 n ASP 18 Ca 0.08 -0.72 0.00 0.00 -0.53 0.00 0.00 54.79 53.62 3m99 n ASP 18 Cb 0.05 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 3m99 n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3m99 n GLY 19 N -0.05 0.00 0.31 0.44 0.00 0.02 -4.49 105.19 101.42 3m99 n GLY 19 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 3m99 n GLY 19 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3m99 h VAL 20 N 0.00 1.17 -0.04 1.61 2.07 -0.34 -1.97 116.25 118.75 3m99 h VAL 20 Ca 0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3m99 h VAL 20 Cb 0.71 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3m99 h VAL 20 CO 0.00 0.21 0.00 0.18 0.02 0.00 0.00 177.57 177.98 3m99 n LEU 21 N -4.37 0.45 -0.08 2.57 4.77 -0.17 -2.49 117.00 117.69 3m99 n LEU 21 Ca 0.04 -0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 55.76 3m99 n LEU 21 Cb 0.14 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.07 3m99 n LEU 21 CO 0.37 0.09 -1.03 0.29 -1.33 0.00 0.00 177.39 175.79 3m99 n LYS 22 N -0.49 1.24 0.09 3.23 4.76 -0.78 -4.17 118.16 122.04 3m99 n LYS 22 Ca 0.15 -0.01 -0.15 0.00 -2.87 0.00 0.00 58.31 55.43 3m99 n LYS 22 Cb 0.14 -1.43 -0.14 0.00 -1.84 0.00 0.00 35.03 31.76 3m99 n LYS 22 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3m99 h THR 23 N 0.00 1.45 0.60 -0.18 2.02 -1.27 -2.03 112.91 113.50 3m99 h THR 23 Ca -0.43 -3.06 -0.03 0.00 0.77 0.00 0.00 66.41 63.66 3m99 h THR 23 Cb 1.98 2.89 0.01 0.00 -1.74 0.00 0.00 68.15 71.29 3m99 h THR 23 CO 0.02 0.88 -0.29 0.00 0.37 0.00 0.00 175.52 176.51 3m99 h ASN 25 N -1.05 0.07 0.32 0.00 2.35 -1.72 0.71 115.58 116.26 3m99 h ASN 25 Ca -0.08 0.02 -0.33 0.00 -0.55 0.00 0.00 56.30 55.36 3m99 h ASN 25 Cb 0.62 0.01 0.03 0.00 0.05 0.00 0.00 38.32 39.03 3m99 h ASN 25 CO 0.14 -0.00 -1.48 0.00 -1.65 0.00 0.00 177.43 174.43 3m99 h ALA 26 N 1.38 -0.08 -0.21 -0.83 0.00 -1.22 -2.06 119.26 116.25 3m99 h ALA 26 Ca 0.65 -0.90 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3m99 h ALA 26 Cb 2.46 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 20.44 3m99 h ALA 26 CO -0.07 0.79 -0.25 0.00 0.00 0.00 0.00 179.25 179.72 3m99 h ALA 27 N 0.23 0.31 0.20 0.00 0.00 0.28 -1.31 119.26 118.97 3m99 h ALA 27 Ca -0.25 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 3m99 h ALA 27 Cb 2.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 3m99 h ALA 27 CO 0.25 0.28 -0.33 0.00 0.00 0.00 0.00 179.25 179.46 3m99 h ARG 28 N 0.20 -0.54 -0.66 0.00 2.47 0.13 -1.55 114.38 114.43 3m99 h ARG 28 Ca 0.03 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.88 3m99 h ARG 28 Cb 0.81 0.12 -0.11 0.00 -1.65 0.00 0.00 29.97 29.14 3m99 h ARG 28 CO 0.06 -0.36 -0.46 -0.92 0.56 0.00 0.00 179.97 178.85 3m99 h TYR 29 N -0.56 -1.36 -0.64 3.04 3.20 -1.40 0.37 116.97 119.61 3m99 h TYR 29 Ca -0.02 0.09 0.16 0.00 3.14 0.00 0.00 58.73 62.10 3m99 h TYR 29 Cb 0.52 0.69 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 3m99 h TYR 29 CO -0.29 -0.42 0.45 0.82 -1.64 0.00 0.00 178.16 177.08 3m99 h ILE 30 N -0.19 0.74 -0.12 1.81 2.04 -1.15 0.14 117.51 120.80 3m99 h ILE 30 Ca 0.19 -0.06 -0.15 0.00 1.00 0.00 0.00 64.86 65.84 3m99 h ILE 30 Cb 0.55 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3m99 h ILE 30 CO -0.74 0.03 -0.57 -0.07 0.00 0.00 0.00 178.15 176.80 3m99 h LEU 31 N 0.16 0.41 -0.42 1.44 3.38 0.73 -2.90 115.31 118.10 3m99 h LEU 31 Ca 0.31 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3m99 h LEU 31 Cb 1.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3m99 h LEU 31 CO -0.05 0.89 -0.11 0.59 0.09 0.00 0.00 178.44 179.85 3m99 n ASN 32 N -3.92 0.76 -1.32 -0.43 3.02 0.43 -3.94 115.26 109.86 3m99 n ASN 32 Ca -0.03 -0.89 0.04 0.00 -0.03 0.00 0.00 54.58 53.68 3m99 n ASN 32 Cb 0.60 -0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.83 3m99 n ASN 32 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3m99 n HIS 33 N -0.65 0.03 -4.59 3.10 8.25 -0.74 -5.04 115.22 115.58 3m99 n HIS 33 Ca 0.16 -0.76 -0.33 0.00 -0.26 0.00 0.00 57.72 56.53 3m99 n HIS 33 Cb 0.29 -0.17 -0.13 0.00 1.12 0.00 0.00 29.99 31.09 3m99 n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3m99 s SER 34 N -2.31 4.38 0.34 0.41 0.15 -1.11 -4.99 113.70 110.57 3m99 s SER 34 Ca 0.35 -0.24 -0.29 0.00 0.70 0.00 0.00 55.95 56.48 3m99 s SER 34 Cb 0.38 -1.69 -0.10 0.00 -1.71 0.00 0.00 66.02 62.90 3m99 s SER 34 CO -0.14 0.16 1.34 -0.69 1.20 0.00 0.00 173.24 175.11 3m99 s VAL 35 N 0.37 2.61 0.26 4.45 1.01 -1.26 -4.72 120.40 123.12 3m99 s VAL 35 Ca -0.08 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.53 3m99 s VAL 35 Cb -0.15 -3.39 0.36 0.00 0.00 0.00 0.00 36.38 33.20 3m99 s VAL 35 CO 0.04 0.14 1.33 -2.65 0.00 0.00 0.00 175.10 173.97 3m99 n PRO 36 N 0.80 -0.07 -0.07 2.72 -0.02 -1.26 -0.23 135.00 136.88 3m99 n PRO 36 Ca 0.00 1.27 -0.11 0.00 -2.02 0.00 0.00 63.50 62.64 3m99 n PRO 36 Cb 0.41 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3m99 n PRO 36 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3m99 h LYS 37 N 0.00 0.36 0.00 -0.52 3.64 -2.01 -1.76 116.57 116.28 3m99 h LYS 37 Ca 0.52 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3m99 h LYS 37 Cb 1.07 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3m99 h LYS 37 CO -0.80 0.51 0.00 0.39 -2.27 0.00 0.00 179.45 177.29 3m99 n GLU 38 N -4.72 0.19 0.11 1.90 1.02 -0.32 -2.58 120.64 116.24 3m99 n GLU 38 Ca -0.04 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.42 3m99 n GLU 38 Cb 0.20 -1.74 0.21 0.00 -0.02 0.00 0.00 31.44 30.09 3m99 n GLU 38 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3m99 h LYS 39 N 0.00 0.00 0.00 3.49 3.64 -0.16 -3.04 116.57 120.50 3m99 h LYS 39 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 3m99 h LYS 39 Cb 0.64 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3m99 h LYS 39 CO 0.00 0.00 -0.96 0.74 -2.27 0.00 0.00 179.45 176.96 3m99 h PHE 40 N 0.00 0.00 0.00 1.91 0.05 -1.07 -3.31 116.94 114.51 3m99 h PHE 40 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3m99 h PHE 40 Cb 0.83 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.78 3m99 h PHE 40 CO 0.00 1.06 0.00 1.28 -0.18 0.00 0.00 178.31 180.47 3m99 n LEU 41 N -4.50 0.00 0.00 1.54 4.77 -1.06 -2.13 117.00 115.61 3m99 n LEU 41 Ca -0.24 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3m99 n LEU 41 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3m99 n LEU 41 CO 0.17 0.00 -0.34 0.59 -1.33 0.00 0.00 177.39 176.48 3m99 n ASN 42 N -0.82 3.35 0.00 -1.43 3.02 -1.15 -4.72 115.26 113.52 3m99 n ASN 42 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 3m99 n ASN 42 Cb 0.07 0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 3m99 n ASN 42 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3m99 n THR 43 N -1.57 0.00 -2.09 3.41 -2.24 -1.25 -4.66 114.28 105.88 3m99 n THR 43 Ca 0.00 -0.45 0.03 0.00 -2.27 0.00 0.00 64.05 61.37 3m99 n THR 43 Cb 0.34 1.08 0.04 0.00 -2.10 0.00 0.00 70.33 69.70 3m99 n THR 43 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3m99 n MET 44 N -0.21 0.28 -3.89 -0.78 2.81 -0.91 -4.67 117.12 109.76 3m99 n MET 44 Ca 0.00 -1.82 -0.35 0.00 -1.81 0.00 0.00 57.70 53.71 3m99 n MET 44 Cb 0.02 -0.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.91 3m99 n MET 44 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3m99 s LYS 45 N -0.60 3.22 0.16 0.03 2.20 -1.11 -1.92 119.74 121.73 3m99 s LYS 45 Ca 0.22 -0.74 -0.31 0.00 -0.36 0.00 0.00 55.97 54.78 3m99 s LYS 45 Cb 0.24 -3.08 -0.09 0.00 -1.51 0.00 0.00 37.83 33.38 3m99 s LYS 45 CO -0.08 -0.29 1.48 0.00 -0.36 0.00 0.00 175.35 176.10 3m99 h GLY 47 N 6.44 0.00 0.00 0.00 0.00 -0.70 -1.58 103.07 107.24 3m99 h GLY 47 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3m99 h GLY 47 CO 0.87 0.00 0.00 2.41 0.00 0.00 0.00 176.54 179.82 3m99 n THR 48 N -3.79 0.00 0.27 4.70 -1.04 -1.26 -4.60 114.28 108.55 3m99 n THR 48 Ca -0.02 0.30 0.15 0.00 -2.04 0.00 0.00 64.05 62.44 3m99 n THR 48 Cb 0.27 -1.11 0.71 0.00 -1.82 0.00 0.00 70.33 68.38 3m99 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3m99 n HIS 50 N -3.32 0.00 -2.36 0.00 -0.00 -0.59 -5.00 115.22 103.95 3m99 n HIS 50 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.38 3m99 n HIS 50 Cb 0.29 -0.47 -0.02 0.00 -0.00 0.00 0.00 29.99 29.79 3m99 n HIS 50 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3m99 s GLU 51 N -0.28 3.67 0.02 -0.41 2.02 -1.26 -4.59 118.70 117.86 3m99 s GLU 51 Ca 0.00 1.23 0.01 0.00 0.02 0.00 0.00 54.97 56.24 3m99 s GLU 51 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 3m99 s GLU 51 CO 0.00 -0.53 0.05 0.96 0.02 0.00 0.00 175.26 175.76 3m99 s ILE 52 N -2.25 4.46 -1.61 -1.63 -4.36 -1.26 -1.53 121.20 113.01 3m99 s ILE 52 Ca 0.64 -0.58 -0.13 0.00 -0.26 0.00 0.00 60.65 60.33 3m99 s ILE 52 Cb -0.15 -3.05 0.11 0.00 1.25 0.00 0.00 42.46 40.62 3m99 s ILE 52 CO 0.27 0.30 0.69 0.59 0.24 0.00 0.00 174.94 177.04 3m99 n ASN 53 N 1.08 -2.57 0.00 4.36 3.02 -0.81 -4.92 115.26 115.42 3m99 n ASN 53 Ca -0.13 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 3m99 n ASN 53 Cb 0.52 -2.90 0.00 0.00 -0.61 0.00 0.00 39.78 36.80 3m99 n ASN 53 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3m99 n SER 54 N -2.76 0.00 0.00 6.41 2.88 -1.26 -4.88 113.62 114.01 3m99 n SER 54 Ca -0.03 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 3m99 n SER 54 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 3m99 n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3m99 n GLY 55 N -0.18 3.61 3.77 0.46 0.00 -1.26 -4.80 105.19 106.79 3m99 n GLY 55 Ca 0.00 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 3m99 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m99 s ALA 56 N -2.48 3.26 0.07 4.61 0.00 -1.26 -4.76 121.76 121.20 3m99 s ALA 56 Ca 0.00 1.35 0.05 0.00 0.00 0.00 0.00 51.96 53.36 3m99 s ALA 56 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3m99 s ALA 56 CO 0.00 -1.00 -0.05 0.99 0.00 0.00 0.00 175.76 175.70 3m99 s THR 57 N -1.23 3.71 0.13 0.00 2.01 -1.26 -2.85 115.64 116.15 3m99 s THR 57 Ca 0.59 -1.01 0.09 0.00 0.31 0.00 0.00 61.69 61.66 3m99 s THR 57 Cb -0.41 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 3m99 s THR 57 CO 0.53 0.20 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.09 3m99 s PHE 58 N -1.19 1.90 -0.22 4.92 0.40 -0.78 -1.30 117.98 121.72 3m99 s PHE 58 Ca 0.22 -0.42 -0.04 0.00 -0.60 0.00 0.00 56.93 56.09 3m99 s PHE 58 Cb -0.11 -1.00 -0.01 0.00 0.51 0.00 0.00 43.02 42.41 3m99 s PHE 58 CO 0.14 0.29 -0.05 -1.64 0.70 0.00 0.00 175.22 174.66 3m99 s MET 59 N -2.28 3.36 0.47 0.44 -1.94 -0.64 -2.02 119.30 116.69 3m99 s MET 59 Ca 0.11 -0.64 -0.24 0.00 -1.71 0.00 0.00 55.69 53.22 3m99 s MET 59 Cb -0.08 -3.00 -0.08 0.00 2.01 0.00 0.00 34.83 33.68 3m99 s MET 59 CO 0.06 -0.20 1.25 0.00 -0.01 0.00 0.00 175.02 176.11 3m99 h LEU 61 N 1.75 0.00 0.00 0.00 6.46 -1.55 -3.39 115.31 118.57 3m99 h LEU 61 Ca -0.48 -0.01 -0.38 0.00 -0.12 0.00 0.00 57.88 56.89 3m99 h LEU 61 Cb 1.31 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.17 3m99 h LEU 61 CO 0.58 0.00 -2.32 0.00 -0.62 0.00 0.00 178.44 176.08 3m99 n GLN 62 N -2.75 0.54 0.00 1.25 6.02 -1.26 -4.95 117.38 116.22 3m99 n GLN 62 Ca 0.01 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 3m99 n GLN 62 Cb 0.54 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.40 3m99 n GLN 62 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m99 n GLY 64 N 5.00 -1.92 3.79 0.00 0.00 -1.26 -4.78 105.19 106.02 3m99 n GLY 64 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3m99 n GLY 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m99 s PHE 65 N -0.13 2.82 -0.12 1.61 5.36 -1.26 -4.77 117.98 121.50 3m99 s PHE 65 Ca 0.00 1.54 -0.01 0.00 -0.96 0.00 0.00 56.93 57.50 3m99 s PHE 65 Cb 0.00 -3.12 0.04 0.00 -0.34 0.00 0.00 43.02 39.60 3m99 s PHE 65 CO 0.00 -1.32 -0.02 0.00 -1.46 0.00 0.00 175.22 172.42 3m99 s GLY 67 N 1.83 1.05 0.00 0.00 0.00 -0.86 0.10 107.32 109.44 3m99 s GLY 67 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3m99 s GLY 67 CO -0.07 -0.65 0.00 0.00 0.00 0.00 0.00 173.10 172.38 3m99 n TRP 69 N -0.68 0.00 0.27 0.00 -0.00 -1.13 -3.22 117.44 112.68 3m99 n TRP 69 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.62 3m99 n TRP 69 Cb 0.00 0.01 0.78 0.00 -0.00 0.00 0.00 31.31 32.10 3m99 n TRP 69 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 3m99 h ASN 70 N 0.00 0.00 -0.33 5.87 2.35 -1.87 0.32 115.58 121.92 3m99 h ASN 70 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3m99 h ASN 70 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3m99 h ASN 70 CO 0.00 0.05 0.00 1.41 -1.65 0.00 0.00 177.43 177.24 3m99 n HIS 71 N -3.98 0.99 -4.12 1.19 8.25 -1.26 -4.99 115.22 111.30 3m99 n HIS 71 Ca -0.03 -0.77 -0.28 0.00 -0.26 0.00 0.00 57.72 56.39 3m99 n HIS 71 Cb 0.14 -0.27 -0.09 0.00 1.12 0.00 0.00 29.99 30.89 3m99 n HIS 71 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3m99 n SER 72 N -0.09 0.82 0.09 0.41 3.41 0.11 -4.85 113.62 113.52 3m99 n SER 72 Ca 0.20 -1.14 -0.18 0.00 -0.26 0.00 0.00 58.87 57.50 3m99 n SER 72 Cb 0.83 -1.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.22 3m99 n SER 72 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3m99 h HIS 73 N -1.48 0.54 -0.29 7.33 3.86 -1.81 -2.86 115.15 120.44 3m99 h HIS 73 Ca -0.59 -0.39 -0.10 0.00 -1.16 0.00 0.00 60.37 58.13 3m99 h HIS 73 Cb 1.25 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.68 3m99 h HIS 73 CO 0.47 1.38 -0.25 0.35 0.86 0.00 0.00 177.93 180.74 3m99 h PHE 74 N 0.08 0.64 -0.17 2.45 3.57 -1.74 0.07 116.94 121.84 3m99 h PHE 74 Ca -0.21 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.14 3m99 h PHE 74 Cb 2.02 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.60 3m99 h PHE 74 CO 0.07 0.76 0.09 1.25 -2.23 0.00 0.00 178.31 178.25 3m99 h LEU 75 N 0.50 0.21 -0.16 0.59 5.85 -1.84 -0.07 115.31 120.38 3m99 h LEU 75 Ca 0.07 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3m99 h LEU 75 Cb 0.69 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 3m99 h LEU 75 CO 0.05 0.25 -0.42 -1.28 -0.34 0.00 0.00 178.44 176.70 3m99 h SER 76 N 0.16 -1.35 -0.89 1.25 0.87 -1.28 0.14 113.55 112.44 3m99 h SER 76 Ca 0.06 0.17 0.26 0.00 -1.23 0.00 0.00 61.79 61.04 3m99 h SER 76 Cb 0.09 0.54 -0.04 0.00 -0.44 0.00 0.00 62.40 62.55 3m99 h SER 76 CO -0.01 -0.35 0.82 -0.74 -0.53 0.00 0.00 176.83 176.01 3m99 h HIS 77 N -0.41 0.00 0.00 2.24 -0.00 -0.59 0.40 115.15 116.80 3m99 h HIS 77 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3m99 h HIS 77 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 3m99 h HIS 77 CO -0.59 0.00 -0.27 -1.13 -0.00 0.00 0.00 177.93 175.93 3m99 n SER 78 N -3.76 0.57 -0.01 3.26 3.41 0.43 -2.50 113.62 115.02 3m99 n SER 78 Ca 0.19 0.30 0.01 0.00 -0.26 0.00 0.00 58.87 59.11 3m99 n SER 78 Cb 1.12 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.74 3m99 n SER 78 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3m99 n LYS 79 N -1.95 1.15 -0.01 4.33 5.02 0.10 -2.41 118.16 124.39 3m99 n LYS 79 Ca 0.05 -0.04 0.13 0.00 -2.02 0.00 0.00 58.31 56.44 3m99 n LYS 79 Cb 0.40 -1.15 0.47 0.00 -0.02 0.00 0.00 35.03 34.73 3m99 n LYS 79 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3m99 n GLN 80 N -1.88 1.73 0.00 1.97 7.27 0.89 -4.25 117.38 123.12 3m99 n GLN 80 Ca -0.04 -1.07 0.00 0.00 0.07 0.00 0.00 57.00 55.96 3m99 n GLN 80 Cb 0.34 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.52 3m99 n GLN 80 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3m99 n ILE 81 N 0.30 0.00 -2.50 1.69 2.08 -1.04 -5.01 119.36 114.88 3m99 n ILE 81 Ca 0.18 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.44 3m99 n ILE 81 Cb 0.37 0.18 0.03 0.00 -0.75 0.00 0.00 39.64 39.47 3m99 n ILE 81 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3m99 n GLY 82 N 0.00 0.24 3.00 7.39 0.00 -1.08 -5.01 105.19 109.73 3m99 n GLY 82 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 3m99 n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3m99 s HIS 83 N -3.11 2.09 -1.09 1.61 3.76 -1.01 -4.99 115.29 112.56 3m99 s HIS 83 Ca 0.03 -1.19 0.10 0.00 -0.15 0.00 0.00 55.06 53.85 3m99 s HIS 83 Cb -0.01 -1.55 0.19 0.00 1.11 0.00 0.00 32.58 32.32 3m99 s HIS 83 CO 0.23 -0.66 1.04 0.44 -0.85 0.00 0.00 174.74 174.94 3m99 n ILE 84 N 4.79 0.51 -3.97 0.60 -5.35 -1.26 -3.99 119.36 110.68 3m99 n ILE 84 Ca -0.16 -0.75 -0.30 0.00 -0.27 0.00 0.00 62.75 61.26 3m99 n ILE 84 Cb 0.50 0.85 -0.16 0.00 -1.74 0.00 0.00 39.64 39.09 3m99 n ILE 84 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3m99 s PHE 85 N -0.94 2.35 0.22 4.28 2.99 -1.26 0.16 117.98 125.79 3m99 s PHE 85 Ca 0.17 -1.59 0.11 0.00 0.00 0.00 0.00 56.93 55.62 3m99 s PHE 85 Cb 0.10 -1.60 -0.05 0.00 0.00 0.00 0.00 43.02 41.48 3m99 s PHE 85 CO 0.14 -0.74 -0.21 0.20 -0.00 0.00 0.00 175.22 174.61 3m99 s GLY 86 N 1.42 1.72 -0.13 4.36 0.00 -0.93 -1.31 107.32 112.45 3m99 s GLY 86 Ca -0.02 -1.72 -0.01 0.00 0.00 0.00 0.00 44.72 42.97 3m99 s GLY 86 CO -0.08 -1.77 -0.09 -0.42 0.00 0.00 0.00 173.10 170.74 3m99 s ILE 87 N -2.13 3.43 0.08 0.90 1.01 -0.73 0.39 121.20 124.16 3m99 s ILE 87 Ca 0.24 -0.53 -0.31 0.00 0.00 0.00 0.00 60.65 60.05 3m99 s ILE 87 Cb -0.06 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.88 3m99 s ILE 87 CO 0.11 0.52 1.42 0.21 0.00 0.00 0.00 174.94 177.21 3m99 s ASN 88 N 0.19 6.80 0.48 3.58 2.47 0.12 -1.62 114.94 126.96 3m99 s ASN 88 Ca -0.05 2.30 0.23 0.00 0.42 0.00 0.00 52.86 55.76 3m99 s ASN 88 Cb -0.15 -2.58 1.24 0.00 -1.45 0.00 0.00 41.25 38.32 3m99 s ASN 88 CO 0.04 -0.70 2.01 -1.28 -3.72 0.00 0.00 177.10 173.45 3m99 h SER 89 N 7.19 0.00 1.25 -4.21 0.87 -1.49 0.87 113.55 118.03 3m99 h SER 89 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 3m99 h SER 89 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3m99 h SER 89 CO 0.88 0.17 -0.58 0.78 -0.53 0.00 0.00 176.83 177.55 3m99 h ASN 90 N 0.00 0.00 0.00 6.23 2.35 -1.90 -3.43 115.58 118.83 3m99 h ASN 90 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3m99 h ASN 90 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3m99 h ASN 90 CO 0.02 0.03 0.00 -0.46 -1.65 0.00 0.00 177.43 175.37 3m99 n ASN 91 N -2.61 0.00 -0.74 5.81 2.04 -0.97 -5.03 115.26 113.77 3m99 n ASN 91 Ca 0.02 -0.40 -0.09 0.00 -0.44 0.00 0.00 54.58 53.67 3m99 n ASN 91 Cb 0.51 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.72 3m99 n ASN 91 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3m99 n GLY 92 N 0.00 1.01 3.75 4.83 0.00 0.26 -4.99 105.19 110.06 3m99 n GLY 92 Ca 0.00 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 3m99 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m99 s LEU 93 N -2.16 4.48 -0.14 0.99 1.43 -1.26 -4.76 118.68 117.27 3m99 s LEU 93 Ca 0.00 1.50 -0.27 0.00 -1.03 0.00 0.00 54.13 54.33 3m99 s LEU 93 Cb 0.00 -3.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 3m99 s LEU 93 CO 0.00 0.06 0.88 -0.22 0.23 0.00 0.00 176.35 177.30 3m99 s LEU 94 N -0.31 4.21 -0.17 1.79 2.96 -1.26 -0.70 118.68 125.20 3m99 s LEU 94 Ca 0.38 1.29 -0.06 0.00 -0.22 0.00 0.00 54.13 55.52 3m99 s LEU 94 Cb -0.21 -3.33 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 3m99 s LEU 94 CO 0.24 -0.40 0.02 0.12 -1.32 0.00 0.00 176.35 175.01 3m99 s PHE 95 N 2.02 3.14 -0.38 5.38 5.36 0.16 -1.34 117.98 132.33 3m99 s PHE 95 Ca 0.41 -0.11 -0.19 0.00 -0.96 0.00 0.00 56.93 56.08 3m99 s PHE 95 Cb -0.17 -2.03 0.01 0.00 -0.34 0.00 0.00 43.02 40.49 3m99 s PHE 95 CO 0.14 0.05 0.57 0.00 -1.46 0.00 0.00 175.22 174.53 3m99 n PHE 97 N 5.96 0.00 -0.09 0.00 3.01 0.12 -0.64 117.46 125.81 3m99 n PHE 97 Ca -0.03 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.27 3m99 n PHE 97 Cb 0.48 -0.15 -0.08 0.00 -0.01 0.00 0.00 39.48 39.72 3m99 n PHE 97 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3m99 n LYS 98 N -0.89 0.53 -0.25 -1.08 5.02 -1.26 -4.24 118.16 115.98 3m99 n LYS 98 Ca 0.16 0.55 0.07 0.00 -2.02 0.00 0.00 58.31 57.08 3m99 n LYS 98 Cb 0.26 -1.72 0.32 0.00 -0.02 0.00 0.00 35.03 33.87 3m99 n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m99 n GLU 100 N -4.51 -0.98 -4.04 0.00 2.13 0.18 -5.04 120.64 108.38 3m99 n GLU 100 Ca 0.14 0.24 -0.11 0.00 0.66 0.00 0.00 57.16 58.09 3m99 n GLU 100 Cb 0.30 -3.81 -0.05 0.00 0.27 0.00 0.00 31.44 28.15 3m99 n GLU 100 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3m99 s ASP 101 N -2.87 0.25 0.71 4.31 2.15 -1.13 -5.03 116.67 115.06 3m99 s ASP 101 Ca 0.05 -1.17 -0.11 0.00 0.43 0.00 0.00 52.55 51.76 3m99 s ASP 101 Cb -0.02 0.60 0.03 0.00 -0.30 0.00 0.00 42.92 43.22 3m99 s ASP 101 CO 0.06 -1.18 1.09 -0.31 -0.17 0.00 0.00 175.17 174.67 3m99 s TYR 102 N -3.67 3.23 -0.74 -5.34 2.02 -1.26 -2.02 117.35 109.57 3m99 s TYR 102 Ca 0.27 0.93 -0.02 0.00 -0.37 0.00 0.00 57.07 57.88 3m99 s TYR 102 Cb 0.00 -3.12 0.19 0.00 -0.40 0.00 0.00 41.96 38.63 3m99 s TYR 102 CO 0.13 -1.26 0.58 0.42 -1.57 0.00 0.00 175.55 173.85 3m99 s ILE 103 N -3.36 3.91 0.00 2.71 1.01 -0.45 -4.82 121.20 120.21 3m99 s ILE 103 Ca 0.58 -3.44 0.00 0.00 0.00 0.00 0.00 60.65 57.79 3m99 s ILE 103 Cb -0.11 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3m99 s ILE 103 CO 0.50 -0.97 0.00 0.61 0.00 0.00 0.00 174.94 175.08 3m99 n GLY 104 N 2.89 1.53 0.00 6.18 0.00 -1.26 -4.55 105.19 109.97 3m99 n GLY 104 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3m99 n GLY 104 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3m99 n ASN 105 N -0.00 0.00 -4.59 1.61 6.94 -1.26 -4.33 115.26 113.63 3m99 n ASN 105 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.14 3m99 n ASN 105 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 3m99 n ASN 105 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3m99 s ILE 106 N -1.25 3.69 0.27 1.53 -1.09 -1.26 -4.87 121.20 118.23 3m99 s ILE 106 Ca 0.00 0.64 -0.03 0.00 -2.23 0.00 0.00 60.65 59.03 3m99 s ILE 106 Cb 0.00 -4.09 0.23 0.00 -1.58 0.00 0.00 42.46 37.02 3m99 s ILE 106 CO 0.00 -0.80 1.91 0.44 -1.23 0.00 0.00 174.94 175.26 3m99 h ASP 107 N 11.93 0.98 -0.28 3.58 3.32 -1.97 -2.59 116.42 131.39 3m99 h ASP 107 Ca -0.29 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 56.72 3m99 h ASP 107 Cb 1.13 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 3m99 h ASP 107 CO 1.11 0.77 0.13 0.25 -1.72 0.00 0.00 179.24 179.78 3m99 h LEU 108 N 1.12 0.17 -0.69 1.55 6.46 -1.90 0.65 115.31 122.67 3m99 h LEU 108 Ca 0.29 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 58.02 3m99 h LEU 108 Cb -0.01 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 3m99 h LEU 108 CO -0.05 0.14 0.27 0.40 -0.62 0.00 0.00 178.44 178.58 3m99 h ILE 109 N 0.27 1.25 -0.05 4.05 2.04 -1.88 0.18 117.51 123.36 3m99 h ILE 109 Ca 0.12 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 3m99 h ILE 109 Cb 0.06 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3m99 h ILE 109 CO -0.10 0.31 0.01 0.78 0.00 0.00 0.00 178.15 179.15 3m99 h ASN 110 N 0.99 0.08 -0.75 1.72 2.35 -1.05 -3.12 115.58 115.80 3m99 h ASN 110 Ca 0.23 -0.24 -0.46 0.00 -0.55 0.00 0.00 56.30 55.28 3m99 h ASN 110 Cb 0.22 -0.02 -0.22 0.00 0.05 0.00 0.00 38.32 38.34 3m99 h ASN 110 CO -0.02 0.30 0.60 0.47 -1.65 0.00 0.00 177.43 177.13 3m99 n ASP 111 N -4.92 5.69 0.17 5.81 8.00 0.22 -4.73 116.55 126.80 3m99 n ASP 111 Ca -0.07 -3.35 0.17 0.00 0.71 0.00 0.00 54.79 52.25 3m99 n ASP 111 Cb 0.15 -0.91 0.67 0.00 -0.02 0.00 0.00 41.12 41.00 3m99 n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m99 h ALA 112 N 1.55 1.91 0.00 2.24 0.00 -0.58 0.16 119.26 124.54 3m99 h ALA 112 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3m99 h ALA 112 Cb 1.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3m99 h ALA 112 CO 1.05 -0.69 0.00 -0.89 0.00 0.00 0.00 179.25 178.72 3m99 n ILE 113 N -3.24 0.58 0.57 0.00 5.41 -1.26 -1.78 119.36 119.63 3m99 n ILE 113 Ca 0.05 0.11 0.11 0.00 1.00 0.00 0.00 62.75 64.03 3m99 n ILE 113 Cb 0.67 -0.80 0.16 0.00 -0.71 0.00 0.00 39.64 38.96 3m99 n ILE 113 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3m99 n LEU 114 N -1.63 3.19 -4.68 1.39 4.77 0.55 -4.95 117.00 115.64 3m99 n LEU 114 Ca 0.05 -1.29 -0.38 0.00 -0.03 0.00 0.00 56.01 54.36 3m99 n LEU 114 Cb 0.26 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3m99 n LEU 114 CO 0.20 0.63 0.76 0.00 -1.33 0.00 0.00 177.39 177.65 3m99 n ALA 115 N 1.37 0.80 -1.29 -1.18 0.00 -0.74 0.04 120.51 119.52 3m99 n ALA 115 Ca 0.16 0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.56 3m99 n ALA 115 Cb 0.58 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 3m99 n ALA 115 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3m99 n LYS 116 N -1.15 -0.68 0.00 0.00 5.02 -1.26 -4.57 118.16 115.52 3m99 n LYS 116 Ca 0.13 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 3m99 n LYS 116 Cb 0.46 -4.76 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 3m99 n LYS 116 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3m99 n TYR 117 N -2.73 0.00 -0.32 2.13 4.02 -0.17 -4.96 117.16 115.13 3m99 n TYR 117 Ca -0.10 0.00 0.31 0.00 -0.01 0.00 0.00 57.90 58.10 3m99 n TYR 117 Cb 0.32 0.00 0.66 0.00 -0.02 0.00 0.00 39.34 40.31 3m99 n TYR 117 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 3m99 h TRP 118 N 0.00 0.24 0.00 -0.72 2.91 -0.63 -2.39 115.95 115.36 3m99 h TRP 118 Ca 0.00 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.03 3m99 h TRP 118 Cb 0.00 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 3m99 h TRP 118 CO 0.00 0.01 0.00 -0.25 -1.03 0.00 0.00 178.44 177.17 3m99 n ASP 119 N -4.36 0.00 0.00 2.65 8.00 -1.26 -0.36 116.55 121.22 3m99 n ASP 119 Ca 0.25 0.73 0.04 0.00 0.71 0.00 0.00 54.79 56.53 3m99 n ASP 119 Cb 1.11 -0.23 0.22 0.00 -0.02 0.00 0.00 41.12 42.20 3m99 n ASP 119 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3m99 n ASP 120 N -1.28 0.00 -0.06 -2.24 5.75 -1.14 -1.93 116.55 115.65 3m99 n ASP 120 Ca 0.00 0.01 -0.06 0.00 -0.01 0.00 0.00 54.79 54.72 3m99 n ASP 120 Cb 0.00 -0.18 -0.06 0.00 -1.03 0.00 0.00 41.12 39.85 3m99 n ASP 120 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3m99 h VAL 121 N 0.00 0.77 -0.65 2.12 2.07 -0.98 -2.83 116.25 116.75 3m99 h VAL 121 Ca 0.00 -1.59 0.13 0.00 0.82 0.00 0.00 66.70 66.07 3m99 h VAL 121 Cb 0.05 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3m99 h VAL 121 CO 0.00 0.26 0.44 0.00 0.02 0.00 0.00 177.57 178.29 3m99 h THR 123 N 0.30 0.00 -2.86 0.00 2.02 -1.63 -3.38 112.91 107.37 3m99 h THR 123 Ca 0.31 -0.50 -0.78 0.00 0.77 0.00 0.00 66.41 66.21 3m99 h THR 123 Cb 0.80 0.00 -0.24 0.00 -1.74 0.00 0.00 68.15 66.97 3m99 h THR 123 CO -0.08 0.00 0.92 0.29 0.37 0.00 0.00 175.52 177.02 3m99 n LYS 124 N -5.03 3.62 -3.04 6.66 5.02 -1.01 -4.93 118.16 119.44 3m99 n LYS 124 Ca -0.08 -4.20 0.00 0.00 -2.02 0.00 0.00 58.31 52.01 3m99 n LYS 124 Cb 0.24 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.52 3m99 n LYS 124 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3m99 n THR 125 N 3.16 0.00 -3.61 -0.18 5.66 -1.11 -4.73 114.28 113.47 3m99 n THR 125 Ca 0.30 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.28 3m99 n THR 125 Cb 0.39 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.11 3m99 n THR 125 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 3m99 s MET 126 N -1.13 0.34 0.35 1.09 1.75 -1.26 -4.99 119.30 115.46 3m99 s MET 126 Ca 0.00 0.63 -0.28 0.00 -1.25 0.00 0.00 55.69 54.79 3m99 s MET 126 Cb 0.00 0.12 -0.10 0.00 2.84 0.00 0.00 34.83 37.69 3m99 s MET 126 CO 0.00 -0.08 1.33 0.08 -0.65 0.00 0.00 175.02 175.70 3m99 s VAL 127 N 1.47 2.60 0.87 10.11 1.01 -1.26 -4.96 120.40 130.23 3m99 s VAL 127 Ca -0.08 0.59 -0.14 0.00 0.00 0.00 0.00 61.98 62.34 3m99 s VAL 127 Cb -0.04 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3m99 s VAL 127 CO -0.15 0.13 0.37 -2.65 0.00 0.00 0.00 175.10 172.80 3m99 n PRO 128 N 0.61 -0.05 -3.39 2.72 -0.02 -1.26 -4.92 135.00 128.70 3m99 n PRO 128 Ca 0.01 0.03 -0.45 0.00 -2.02 0.00 0.00 63.50 61.07 3m99 n PRO 128 Cb 0.42 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 3m99 n PRO 128 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3m99 s SER 129 N -1.74 6.56 0.00 2.55 1.04 -1.26 -4.93 113.70 115.93 3m99 s SER 129 Ca 0.59 -2.80 0.00 0.00 0.48 0.00 0.00 55.95 54.22 3m99 s SER 129 Cb -0.26 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.71 3m99 s SER 129 CO 0.65 -0.52 0.00 0.80 0.98 0.00 0.00 173.24 175.15 3m99 n MET 130 N 3.78 0.00 -0.17 4.02 1.56 -1.26 0.51 117.12 125.56 3m99 n MET 130 Ca 0.14 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.52 3m99 n MET 130 Cb 0.45 0.00 0.05 0.00 2.15 0.00 0.00 33.22 35.87 3m99 n MET 130 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 3m99 h GLU 131 N 0.00 0.53 -0.14 2.12 4.39 -2.00 -2.98 114.58 116.50 3m99 h GLU 131 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3m99 h GLU 131 Cb 0.00 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3m99 h GLU 131 CO 0.00 0.35 0.00 0.54 -1.16 0.00 0.00 179.01 178.74 3m99 n ARG 132 N -4.85 1.67 0.26 2.33 5.12 0.18 -4.41 116.66 116.96 3m99 n ARG 132 Ca 0.05 -1.00 0.16 0.00 -1.93 0.00 0.00 57.85 55.13 3m99 n ARG 132 Cb 0.12 -1.40 0.58 0.00 -1.16 0.00 0.00 32.46 30.60 3m99 n ARG 132 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 3m99 h ARG 133 N 2.06 0.00 -0.13 5.56 0.11 -1.65 -2.74 114.38 117.59 3m99 h ARG 133 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3m99 h ARG 133 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 3m99 h ARG 133 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 3m99 n ASP 134 N -3.08 2.20 -2.92 0.08 8.00 -1.26 -4.97 116.55 114.59 3m99 n ASP 134 Ca 0.01 -1.81 -0.20 0.00 0.71 0.00 0.00 54.79 53.50 3m99 n ASP 134 Cb 0.35 -0.08 0.01 0.00 -0.02 0.00 0.00 41.12 41.38 3m99 n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m99 n GLY 135 N 0.06 -0.50 3.61 0.44 0.00 -1.03 -4.92 105.19 102.85 3m99 n GLY 135 Ca 0.05 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3m99 n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m99 s LEU 136 N -6.30 4.09 0.11 0.99 1.43 -1.26 -4.94 118.68 112.80 3m99 s LEU 136 Ca 0.23 0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 53.70 3m99 s LEU 136 Cb -0.11 -3.06 0.07 0.00 0.03 0.00 0.00 46.19 43.12 3m99 s LEU 136 CO 0.28 -0.62 0.61 -0.55 0.23 0.00 0.00 176.35 176.30 3m99 s SER 137 N 1.64 -0.58 0.33 2.29 0.15 -1.26 -4.93 113.70 111.34 3m99 s SER 137 Ca 0.32 0.15 -0.01 0.00 0.70 0.00 0.00 55.95 57.12 3m99 s SER 137 Cb -0.14 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 3m99 s SER 137 CO 0.13 -0.89 0.55 -0.83 1.20 0.00 0.00 173.24 173.40 3m99 s GLY 138 N -2.40 1.45 -0.26 9.45 0.00 -1.26 -4.85 107.32 109.44 3m99 s GLY 138 Ca -0.02 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.89 3m99 s GLY 138 CO -0.08 -0.77 -0.08 1.08 0.00 0.00 0.00 173.10 173.25 3m99 s LEU 139 N -4.15 3.34 0.42 0.66 1.43 -0.35 -4.87 118.68 115.16 3m99 s LEU 139 Ca 0.41 -1.41 -0.23 0.00 -1.03 0.00 0.00 54.13 51.86 3m99 s LEU 139 Cb -0.10 -1.46 -0.12 0.00 0.03 0.00 0.00 46.19 44.54 3m99 s LEU 139 CO 0.35 -0.22 0.72 -0.38 0.23 0.00 0.00 176.35 177.05 3m99 n ILE 140 N 4.48 2.06 -3.02 -0.59 2.08 -1.26 -3.16 119.36 119.94 3m99 n ILE 140 Ca -0.12 -0.50 -0.40 0.00 0.56 0.00 0.00 62.75 62.29 3m99 n ILE 140 Cb 0.42 -0.75 -0.05 0.00 -0.75 0.00 0.00 39.64 38.52 3m99 n ILE 140 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3m99 s ASN 141 N -0.88 6.97 -0.17 4.38 3.84 -1.26 -4.89 114.94 122.92 3m99 s ASN 141 Ca 0.64 1.17 0.14 0.00 0.21 0.00 0.00 52.86 55.01 3m99 s ASN 141 Cb -0.60 -2.42 0.39 0.00 -0.55 0.00 0.00 41.25 38.08 3m99 s ASN 141 CO 0.57 -0.17 1.20 0.23 -2.79 0.00 0.00 177.10 176.14 3m99 n MET 142 N 4.08 1.32 0.00 0.43 2.81 -1.26 -4.94 117.12 119.57 3m99 n MET 142 Ca -0.00 -2.99 0.00 0.00 -1.81 0.00 0.00 57.70 52.90 3m99 n MET 142 Cb 0.51 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 3m99 n MET 142 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m99 n GLY 143 N -0.96 0.57 3.72 3.03 0.00 -1.26 -4.79 105.19 105.50 3m99 n GLY 143 Ca 0.17 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 3m99 n GLY 143 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3m99 n SER 144 N 0.00 -1.49 -1.50 1.61 2.88 -1.26 -4.91 113.62 108.94 3m99 n SER 144 Ca 0.00 -0.86 0.08 0.00 -1.33 0.00 0.00 58.87 56.76 3m99 n SER 144 Cb 0.00 -3.90 0.35 0.00 -0.75 0.00 0.00 64.21 59.91 3m99 n SER 144 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3m99 n THR 145 N -4.25 2.39 0.41 2.46 -2.24 -1.26 -4.51 114.28 107.28 3m99 n THR 145 Ca -0.28 -1.49 0.12 0.00 -2.27 0.00 0.00 64.05 60.14 3m99 n THR 145 Cb 0.67 -0.16 0.26 0.00 -2.10 0.00 0.00 70.33 69.00 3m99 n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m99 n PHE 147 N -2.66 0.27 -0.06 0.00 1.16 -1.26 -1.21 117.46 113.69 3m99 n PHE 147 Ca 0.04 0.09 -0.12 0.00 -1.87 0.00 0.00 57.45 55.60 3m99 n PHE 147 Cb 0.48 -0.65 -0.04 0.00 -1.61 0.00 0.00 39.48 37.66 3m99 n PHE 147 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 3m99 n MET 148 N -1.73 0.36 -0.26 3.97 2.81 -1.14 -4.37 117.12 116.76 3m99 n MET 148 Ca 0.04 0.15 -0.00 0.00 -1.81 0.00 0.00 57.70 56.08 3m99 n MET 148 Cb 0.25 -1.12 0.07 0.00 -0.71 0.00 0.00 33.22 31.71 3m99 n MET 148 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3m99 h SER 149 N -0.65 -0.87 0.36 7.83 0.87 -1.28 0.36 113.55 120.18 3m99 h SER 149 Ca -0.22 0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 3m99 h SER 149 Cb 1.00 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 63.47 3m99 h SER 149 CO -0.13 -0.27 -0.21 0.77 -0.53 0.00 0.00 176.83 176.46 3m99 h SER 150 N -0.04 0.00 0.35 6.23 4.64 -1.41 -2.55 113.55 120.77 3m99 h SER 150 Ca 0.33 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.33 3m99 h SER 150 Cb 0.56 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3m99 h SER 150 CO -0.77 0.21 -1.57 0.40 -0.87 0.00 0.00 176.83 174.23 3m99 h ILE 151 N 0.00 1.14 -0.33 0.95 1.08 -0.85 -3.30 117.51 116.20 3m99 h ILE 151 Ca -0.00 -2.72 0.02 0.00 -0.39 0.00 0.00 64.86 61.77 3m99 h ILE 151 Cb 0.45 2.83 -0.02 0.00 -3.07 0.00 0.00 36.82 37.00 3m99 h ILE 151 CO 0.03 0.84 0.18 -0.07 -0.69 0.00 0.00 178.15 178.43 3m99 h LEU 152 N 0.10 0.27 -1.25 1.44 3.38 -0.26 -2.32 115.31 116.67 3m99 h LEU 152 Ca -0.27 0.01 0.16 0.00 0.09 0.00 0.00 57.88 57.87 3m99 h LEU 152 Cb 2.07 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.69 3m99 h LEU 152 CO 0.19 0.20 0.59 1.56 0.09 0.00 0.00 178.44 181.07 3m99 h GLN 153 N 0.36 0.66 -0.08 1.13 1.08 -1.58 0.83 115.11 117.51 3m99 h GLN 153 Ca 0.13 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.19 3m99 h GLN 153 Cb 0.03 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 3m99 h GLN 153 CO -0.08 0.44 -0.43 0.00 -0.95 0.00 0.00 178.83 177.81 3m99 h LEU 155 N 0.15 0.05 -0.22 0.00 7.12 -0.50 -3.17 115.31 118.74 3m99 h LEU 155 Ca 0.01 -0.94 0.00 0.00 0.13 0.00 0.00 57.88 57.08 3m99 h LEU 155 Cb 0.83 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 3m99 h LEU 155 CO 0.06 1.10 0.00 0.00 -0.13 0.00 0.00 178.44 179.47 3m99 n ILE 156 N -4.53 1.70 -1.09 4.05 0.13 0.26 -0.92 119.36 118.97 3m99 n ILE 156 Ca -0.13 0.49 0.09 0.00 -1.10 0.00 0.00 62.75 62.11 3m99 n ILE 156 Cb 0.54 -1.46 0.16 0.00 -0.84 0.00 0.00 39.64 38.05 3m99 n ILE 156 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 3m99 n HIS 157 N -1.63 0.18 -3.45 9.51 8.25 -0.91 -4.84 115.22 122.34 3m99 n HIS 157 Ca 0.00 -1.01 -0.38 0.00 -0.26 0.00 0.00 57.72 56.07 3m99 n HIS 157 Cb 0.03 -0.19 -0.08 0.00 1.12 0.00 0.00 29.99 30.87 3m99 n HIS 157 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3m99 s ASN 158 N -2.73 6.33 0.18 0.41 3.84 -0.09 -4.93 114.94 117.95 3m99 s ASN 158 Ca 0.34 0.39 -0.19 0.00 0.21 0.00 0.00 52.86 53.60 3m99 s ASN 158 Cb 0.30 -2.20 0.11 0.00 -0.55 0.00 0.00 41.25 38.91 3m99 s ASN 158 CO 0.04 -0.06 1.62 -0.65 -2.79 0.00 0.00 177.10 175.25 3m99 h PRO 159 N 7.54 -0.14 -0.47 0.43 0.11 -1.93 0.59 132.00 138.13 3m99 h PRO 159 Ca -0.36 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 3m99 h PRO 159 Cb 1.16 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3m99 h PRO 159 CO 0.69 -0.10 0.26 1.88 -0.21 0.00 0.00 178.00 180.52 3m99 h TYR 160 N -0.15 0.64 -0.38 0.65 -1.99 -1.95 -2.19 116.97 111.59 3m99 h TYR 160 Ca 0.21 -0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.77 3m99 h TYR 160 Cb 0.48 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 3m99 h TYR 160 CO -0.49 0.48 -0.35 0.35 -0.00 0.00 0.00 178.16 178.15 3m99 h PHE 161 N 0.62 1.09 -0.47 4.88 3.57 -1.56 -1.28 116.94 123.79 3m99 h PHE 161 Ca 0.16 -0.32 0.03 0.00 3.53 0.00 0.00 57.97 61.38 3m99 h PHE 161 Cb 0.05 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 3m99 h PHE 161 CO -0.02 1.14 0.25 0.82 -2.23 0.00 0.00 178.31 178.27 3m99 h ILE 162 N 0.73 0.99 -0.42 1.41 1.08 -0.94 0.25 117.51 120.62 3m99 h ILE 162 Ca 0.06 -0.17 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3m99 h ILE 162 Cb 0.94 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 3m99 h ILE 162 CO 0.09 0.09 0.26 -0.09 -0.69 0.00 0.00 178.15 177.81 3m99 h ARG 163 N 0.49 0.51 0.24 2.37 2.43 -1.26 -0.58 114.38 118.58 3m99 h ARG 163 Ca 0.20 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3m99 h ARG 163 Cb 0.08 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3m99 h ARG 163 CO -0.12 0.33 -0.13 1.25 -1.51 0.00 0.00 179.97 179.79 3m99 h HIS 164 N 0.52 -0.34 0.02 2.20 2.76 -0.73 -1.06 115.15 118.52 3m99 h HIS 164 Ca 0.16 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3m99 h HIS 164 Cb -0.02 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3m99 h HIS 164 CO -0.06 -0.21 -0.03 1.03 -1.30 0.00 0.00 177.93 177.35 3m99 h SER 165 N -0.35 -0.09 0.92 3.26 0.87 -0.78 -3.02 113.55 114.36 3m99 h SER 165 Ca -0.03 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3m99 h SER 165 Cb 0.28 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3m99 h SER 165 CO 0.04 -0.05 -0.15 0.24 -0.53 0.00 0.00 176.83 176.37 3m99 h MET 166 N -0.07 0.00 0.00 2.24 2.86 -1.07 -0.80 114.93 118.09 3m99 h MET 166 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3m99 h MET 166 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3m99 h MET 166 CO -0.02 0.15 0.00 0.43 1.06 0.00 0.00 176.91 178.53 3m99 n SER 167 N -3.32 0.00 -1.41 1.22 7.64 -0.41 -4.84 113.62 112.51 3m99 n SER 167 Ca 0.00 -0.14 -0.15 0.00 1.01 0.00 0.00 58.87 59.60 3m99 n SER 167 Cb 0.38 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.35 3m99 n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m99 n GLN 168 N -1.17 -1.35 -0.28 1.43 1.13 -0.31 -4.85 117.38 111.98 3m99 n GLN 168 Ca 0.09 0.89 0.08 0.00 -1.94 0.00 0.00 57.00 56.12 3m99 n GLN 168 Cb 0.09 -5.17 0.23 0.00 0.11 0.00 0.00 30.24 25.50 3m99 n GLN 168 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3m99 h ILE 169 N 0.00 0.60 0.08 5.09 1.08 -1.76 -2.33 117.51 120.26 3m99 h ILE 169 Ca -0.31 -0.15 -0.14 0.00 -0.39 0.00 0.00 64.86 63.87 3m99 h ILE 169 Cb 0.99 0.11 0.01 0.00 -3.07 0.00 0.00 36.82 34.86 3m99 h ILE 169 CO 0.45 0.08 -0.68 -0.74 -0.69 0.00 0.00 178.15 176.57 3m99 h HIS 170 N 0.45 0.31 0.00 1.37 2.76 -1.89 -3.37 115.15 114.79 3m99 h HIS 170 Ca 0.47 -0.23 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3m99 h HIS 170 Cb 0.77 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.72 3m99 h HIS 170 CO -0.15 1.26 -0.06 1.03 -1.30 0.00 0.00 177.93 178.71 3m99 h SER 171 N -0.61 0.00 0.21 3.26 0.87 -1.83 -1.64 113.55 113.81 3m99 h SER 171 Ca -0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3m99 h SER 171 Cb 1.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 3m99 h SER 171 CO 0.06 0.06 0.00 0.59 -0.53 0.00 0.00 176.83 177.01 3m99 n ASN 172 N -3.79 0.45 -2.77 6.23 3.02 -0.91 -3.57 115.26 113.92 3m99 n ASN 172 Ca -0.02 0.68 -0.10 0.00 -0.03 0.00 0.00 54.58 55.11 3m99 n ASN 172 Cb 0.15 -0.75 0.07 0.00 -0.61 0.00 0.00 39.78 38.64 3m99 n ASN 172 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3m99 n ASN 173 N -2.07 -2.29 -3.97 6.41 0.23 -0.62 -5.02 115.26 107.93 3m99 n ASN 173 Ca -0.00 -3.52 -0.43 0.00 -0.53 0.00 0.00 54.58 50.10 3m99 n ASN 173 Cb 0.08 1.70 0.00 0.00 -2.08 0.00 0.00 39.78 39.49 3m99 n ASN 173 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3m99 n LYS 175 N 4.35 -0.02 0.00 0.00 4.81 -1.26 -5.11 118.16 120.92 3m99 n LYS 175 Ca 0.40 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.75 3m99 n LYS 175 Cb 0.38 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.61 3m99 n LYS 175 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3m99 n VAL 176 N -4.06 0.00 0.00 3.15 0.24 -1.26 -5.18 118.33 111.22 3m99 n VAL 176 Ca 0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 3m99 n VAL 176 Cb 1.20 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 3m99 n VAL 176 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3m99 n ASP 180 N 0.00 0.00 -0.76 -1.34 8.00 -1.26 -5.06 116.55 116.14 3m99 n ASP 180 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 3m99 n ASP 180 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 3m99 n ASP 180 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m99 n LYS 181 N 0.00 0.11 -2.71 -1.24 4.01 -1.26 -5.00 118.16 112.07 3m99 n LYS 181 Ca 0.00 -1.42 -0.42 0.00 -0.51 0.00 0.00 58.31 55.95 3m99 n LYS 181 Cb 0.00 -0.44 -0.03 0.00 -0.51 0.00 0.00 35.03 34.05 3m99 n LYS 181 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3m99 h PHE 183 N 7.04 0.45 -0.61 0.00 3.57 -1.96 -2.87 116.94 122.56 3m99 h PHE 183 Ca -0.33 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.09 3m99 h PHE 183 Cb 1.16 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 3m99 h PHE 183 CO 0.70 0.33 0.10 0.77 -2.23 0.00 0.00 178.31 177.98 3m99 h SER 184 N 0.44 0.98 -0.32 0.41 0.02 -1.93 -1.92 113.55 111.23 3m99 h SER 184 Ca 0.12 -0.26 0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3m99 h SER 184 Cb 0.01 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3m99 h SER 184 CO -0.02 0.99 0.22 0.00 -1.14 0.00 0.00 176.83 176.88 3m99 h ALA 186 N 1.83 -0.37 -1.00 0.00 0.00 -1.12 -1.74 119.26 116.86 3m99 h ALA 186 Ca 0.14 -0.16 0.23 0.00 0.00 0.00 0.00 54.91 55.12 3m99 h ALA 186 Cb 0.27 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 3m99 h ALA 186 CO -0.03 -0.59 0.63 -0.07 0.00 0.00 0.00 179.25 179.20 3m99 h LEU 187 N -0.60 0.57 -1.09 0.00 3.38 -1.31 0.23 115.31 116.48 3m99 h LEU 187 Ca -0.04 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3m99 h LEU 187 Cb 0.43 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3m99 h LEU 187 CO 0.06 0.16 -0.41 0.44 0.09 0.00 0.00 178.44 178.78 3m99 h ASP 188 N 0.53 0.00 0.42 -0.43 5.19 -1.16 -1.87 116.42 119.11 3m99 h ASP 188 Ca 0.58 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.79 3m99 h ASP 188 Cb 1.23 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 3m99 h ASP 188 CO -0.33 0.41 -0.85 0.50 -3.12 0.00 0.00 179.24 175.85 3m99 h LYS 189 N 0.00 0.31 0.45 3.56 3.64 0.29 0.68 116.57 125.50 3m99 h LYS 189 Ca -0.00 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 3m99 h LYS 189 Cb 0.81 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3m99 h LYS 189 CO 0.05 0.99 -0.22 0.82 -2.27 0.00 0.00 179.45 178.83 3m99 h ILE 190 N 0.19 0.55 -0.26 2.00 2.04 -0.97 0.28 117.51 121.33 3m99 h ILE 190 Ca -0.05 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3m99 h ILE 190 Cb 1.46 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3m99 h ILE 190 CO 0.14 0.02 -0.03 0.58 0.00 0.00 0.00 178.15 178.86 3m99 h VAL 191 N -0.68 0.78 -0.38 1.67 2.07 -1.33 -2.49 116.25 115.89 3m99 h VAL 191 Ca -0.06 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.52 3m99 h VAL 191 Cb 0.50 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 3m99 h VAL 191 CO 0.10 0.01 -0.20 -0.74 0.02 0.00 0.00 177.57 176.76 3m99 h HIS 192 N 0.04 -0.51 -0.47 1.57 -0.00 -0.79 0.15 115.15 115.14 3m99 h HIS 192 Ca 0.13 0.04 -0.31 0.00 -0.00 0.00 0.00 60.37 60.23 3m99 h HIS 192 Cb 0.18 0.28 -0.14 0.00 -0.00 0.00 0.00 27.41 27.73 3m99 h HIS 192 CO -0.23 -0.28 0.40 0.39 -0.00 0.00 0.00 177.93 178.21 3m99 n GLU 193 N -5.37 1.76 0.00 5.26 1.02 0.08 -1.55 120.64 121.84 3m99 n GLU 193 Ca 0.02 -1.53 0.00 0.00 -0.02 0.00 0.00 57.16 55.63 3m99 n GLU 193 Cb 0.29 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3m99 n GLU 193 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3m99 n LEU 194 N 0.24 0.00 -0.00 -4.62 -0.00 -0.60 -4.83 117.00 107.19 3m99 n LEU 194 Ca 0.30 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.33 3m99 n LEU 194 Cb 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.05 3m99 n LEU 194 CO 0.36 0.00 -0.02 -1.22 -0.00 0.00 0.00 177.39 176.51 3m99 n TYR 195 N -0.48 0.00 -0.46 1.96 4.02 -0.06 -3.95 117.16 118.19 3m99 n TYR 195 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3m99 n TYR 195 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3m99 n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3m99 n GLY 196 N 1.16 5.53 2.76 2.72 0.00 -0.59 -4.77 105.19 111.99 3m99 n GLY 196 Ca 0.01 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 3m99 n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m99 s ALA 197 N -1.94 0.07 0.00 4.61 0.00 -1.22 -4.71 121.76 118.57 3m99 s ALA 197 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.29 3m99 s ALA 197 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3m99 s ALA 197 CO 0.00 -0.27 0.00 -0.11 0.00 0.00 0.00 175.76 175.38 3m99 n LEU 198 N 4.62 0.84 0.00 0.00 7.94 -1.26 -4.96 117.00 124.19 3m99 n LEU 198 Ca -0.18 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 3m99 n LEU 198 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 3m99 n LEU 198 CO 0.15 0.06 0.00 -0.24 -1.11 0.00 0.00 177.39 176.25 3m99 n SER 209 N -2.62 0.00 -4.42 1.96 2.88 -1.26 -5.13 113.62 105.04 3m99 n SER 209 Ca 0.00 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 57.07 3m99 n SER 209 Cb 0.36 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.68 3m99 n SER 209 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3m99 n THR 210 N 0.00 0.00 0.00 2.46 -1.04 -1.26 -4.86 114.28 109.58 3m99 n THR 210 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3m99 n THR 210 Cb 0.00 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 3m99 n THR 210 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3m99 n ASN 211 N 9.56 0.00 -4.39 8.00 2.85 -1.26 -4.89 115.26 125.14 3m99 n ASN 211 Ca 0.62 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.96 3m99 n ASN 211 Cb 0.01 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.94 3m99 n ASN 211 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3m99 n ARG 212 N 0.00 0.07 0.00 1.20 1.74 -1.26 -4.03 116.66 114.38 3m99 n ARG 212 Ca 0.00 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 3m99 n ARG 212 Cb 0.00 -3.25 0.00 0.00 -1.02 0.00 0.00 32.46 28.19 3m99 n ARG 212 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3m99 n GLN 213 N 7.36 4.98 -0.27 5.56 1.13 -1.26 -4.86 117.38 130.01 3m99 n GLN 213 Ca 0.33 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.39 3m99 n GLN 213 Cb 0.47 -0.42 0.07 0.00 0.11 0.00 0.00 30.24 30.48 3m99 n GLN 213 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3m99 h THR 214 N 0.00 0.19 0.00 5.09 2.02 -1.97 0.20 112.91 118.44 3m99 h THR 214 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3m99 h THR 214 Cb 0.00 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3m99 h THR 214 CO 0.00 0.00 -0.47 1.23 0.37 0.00 0.00 175.52 176.65 3m99 h GLY 215 N -0.03 0.00 1.41 2.16 0.00 -1.92 -2.51 103.07 102.17 3m99 h GLY 215 Ca 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.56 3m99 h GLY 215 CO -0.80 0.00 -0.30 -2.75 0.00 0.00 0.00 176.54 172.69 3m99 h PHE 216 N 0.00 0.78 -0.10 5.60 3.57 -0.95 -1.47 116.94 124.37 3m99 h PHE 216 Ca -0.00 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 3m99 h PHE 216 Cb 0.83 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 3m99 h PHE 216 CO 0.00 0.89 0.03 0.82 -2.23 0.00 0.00 178.31 177.82 3m99 h ILE 217 N 0.57 1.18 -0.81 1.41 2.04 -1.22 -2.50 117.51 118.18 3m99 h ILE 217 Ca 0.07 -0.54 0.21 0.00 1.00 0.00 0.00 64.86 65.60 3m99 h ILE 217 Cb 0.80 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 3m99 h ILE 217 CO 0.07 0.16 0.57 0.22 0.00 0.00 0.00 178.15 179.16 3m99 h TYR 218 N -0.03 0.21 -0.06 1.37 3.20 -1.08 0.47 116.97 121.04 3m99 h TYR 218 Ca 0.03 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.71 3m99 h TYR 218 Cb 0.22 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 3m99 h TYR 218 CO -0.00 0.06 -0.79 1.25 -1.64 0.00 0.00 178.16 177.04 3m99 h LEU 219 N 0.16 0.53 0.25 2.82 6.46 -0.88 -1.50 115.31 123.15 3m99 h LEU 219 Ca 0.40 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 3m99 h LEU 219 Cb 1.33 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 3m99 h LEU 219 CO -0.07 1.13 -0.12 -0.07 -0.62 0.00 0.00 178.44 178.69 3m99 h LEU 220 N 0.29 -0.28 -1.64 2.25 3.38 -0.56 0.19 115.31 118.93 3m99 h LEU 220 Ca -0.04 -0.10 0.16 0.00 0.09 0.00 0.00 57.88 57.99 3m99 h LEU 220 Cb 1.38 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 3m99 h LEU 220 CO 0.14 -0.07 0.51 0.74 0.09 0.00 0.00 178.44 179.85 3m99 h THR 221 N -0.49 0.76 0.11 0.22 2.02 -1.08 -0.22 112.91 114.23 3m99 h THR 221 Ca -0.03 -0.12 -0.19 0.00 0.77 0.00 0.00 66.41 66.84 3m99 h THR 221 Cb 0.36 0.39 0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3m99 h THR 221 CO 0.06 0.06 -0.81 0.00 0.37 0.00 0.00 175.52 175.20 3m99 h ALA 223 N 0.15 2.17 -0.11 0.00 0.00 0.66 -2.89 119.26 119.24 3m99 h ALA 223 Ca -0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3m99 h ALA 223 Cb 1.60 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 3m99 h ALA 223 CO 0.15 -0.30 0.01 2.35 0.00 0.00 0.00 179.25 181.47 3m99 h TRP 224 N 0.23 0.21 0.00 0.00 7.01 -1.15 0.60 115.95 122.85 3m99 h TRP 224 Ca 0.24 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.21 3m99 h TRP 224 Cb 0.63 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.64 3m99 h TRP 224 CO -0.00 0.40 0.16 0.87 -2.79 0.00 0.00 178.44 177.08 3m99 h LYS 225 N -0.05 0.00 0.00 2.65 1.57 -1.62 -3.16 116.57 115.96 3m99 h LYS 225 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3m99 h LYS 225 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3m99 h LYS 225 CO 0.00 0.00 -0.51 -0.89 -0.57 0.00 0.00 179.45 177.49 3m99 n ILE 226 N -2.27 1.28 0.00 1.86 5.41 -0.97 -5.17 119.36 119.50 3m99 n ILE 226 Ca -0.01 0.26 0.00 0.00 1.00 0.00 0.00 62.75 64.00 3m99 n ILE 226 Cb 0.19 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.17 3m99 n ILE 226 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3m99 n ASN 227 N -3.91 0.00 0.00 4.38 2.04 0.21 -5.13 115.26 112.84 3m99 n ASN 227 Ca -0.07 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.07 3m99 n ASN 227 Cb 0.26 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.51 3m99 n ASN 227 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3m99 n GLN 235 N 0.00 0.00 0.03 -3.83 6.02 -1.26 -5.10 117.38 113.24 3m99 n GLN 235 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3m99 n GLN 235 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 3m99 n GLN 235 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3m99 n GLN 236 N -0.08 0.01 -2.12 -1.09 0.00 -1.26 -5.00 117.38 107.84 3m99 n GLN 236 Ca 0.00 0.01 -0.41 0.00 -0.00 0.00 0.00 57.00 56.59 3m99 n GLN 236 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 30.24 29.88 3m99 n GLN 236 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3m99 s ASP 237 N -5.58 6.79 -0.02 1.69 2.15 -1.26 -4.88 116.67 115.55 3m99 s ASP 237 Ca -0.01 2.52 0.03 0.00 0.43 0.00 0.00 52.55 55.52 3m99 s ASP 237 Cb 0.00 -2.62 -0.25 0.00 -0.30 0.00 0.00 42.92 39.75 3m99 s ASP 237 CO 0.01 -0.61 0.77 0.00 -0.17 0.00 0.00 175.17 175.17 3m99 h ALA 238 N 5.24 0.47 0.00 3.66 0.00 -1.98 -3.32 119.26 123.33 3m99 h ALA 238 Ca -0.45 -1.25 -0.01 0.00 0.00 0.00 0.00 54.91 53.20 3m99 h ALA 238 Cb 1.22 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 3m99 h ALA 238 CO 0.78 1.33 -0.03 1.25 0.00 0.00 0.00 179.25 182.57 3m99 h HIS 239 N 0.04 0.00 -0.06 0.00 6.17 -1.91 0.07 115.15 119.45 3m99 h HIS 239 Ca -0.26 0.00 -0.20 0.00 0.71 0.00 0.00 60.37 60.62 3m99 h HIS 239 Cb 1.99 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 31.92 3m99 h HIS 239 CO 0.04 0.03 -0.81 0.93 0.71 0.00 0.00 177.93 178.83 3m99 h GLU 240 N 0.00 0.46 -0.00 5.26 4.39 -1.96 -3.04 114.58 119.69 3m99 h GLU 240 Ca -0.00 -0.42 -0.19 0.00 0.34 0.00 0.00 59.36 59.10 3m99 h GLU 240 Cb 0.18 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3m99 h GLU 240 CO 0.00 1.06 -0.83 0.35 -1.16 0.00 0.00 179.01 178.43 3m99 h PHE 241 N 0.30 0.25 0.11 4.33 3.57 -1.15 -0.65 116.94 123.70 3m99 h PHE 241 Ca -0.05 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.34 3m99 h PHE 241 Cb 1.41 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 40.08 3m99 h PHE 241 CO 0.06 0.93 -0.35 2.35 -2.23 0.00 0.00 178.31 179.06 3m99 h TRP 242 N 0.10 -0.96 0.00 0.41 2.91 -1.31 0.03 115.95 117.14 3m99 h TRP 242 Ca -0.03 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 3m99 h TRP 242 Cb 1.45 0.41 -0.00 0.00 -0.51 0.00 0.00 29.16 30.50 3m99 h TRP 242 CO 0.02 -0.45 -0.07 1.96 -1.03 0.00 0.00 178.44 178.87 3m99 h GLN 243 N -0.57 0.00 -0.12 2.65 4.20 -1.37 -0.31 115.11 119.58 3m99 h GLN 243 Ca 0.03 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 3m99 h GLN 243 Cb 0.61 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.39 3m99 h GLN 243 CO -0.21 0.07 -0.58 0.35 -0.67 0.00 0.00 178.83 177.79 3m99 h PHE 244 N 0.00 0.82 0.51 2.96 3.57 -0.73 -2.49 116.94 121.59 3m99 h PHE 244 Ca -0.00 -0.36 -0.02 0.00 3.53 0.00 0.00 57.97 61.12 3m99 h PHE 244 Cb 0.18 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3m99 h PHE 244 CO 0.00 1.16 -0.36 0.82 -2.23 0.00 0.00 178.31 177.70 3m99 h ILE 245 N 0.26 0.00 -0.07 1.41 1.08 0.28 -2.88 117.51 117.59 3m99 h ILE 245 Ca -0.04 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.44 3m99 h ILE 245 Cb 1.22 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 3m99 h ILE 245 CO 0.12 0.00 -0.04 -0.38 -0.69 0.00 0.00 178.15 177.16 3m99 n ILE 246 N -4.61 -0.05 -0.36 -0.67 2.08 -0.25 -0.54 119.36 114.96 3m99 n ILE 246 Ca -0.10 1.19 0.28 0.00 0.56 0.00 0.00 62.75 64.68 3m99 n ILE 246 Cb 0.35 -1.57 0.58 0.00 -0.75 0.00 0.00 39.64 38.25 3m99 n ILE 246 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 3m99 h ASN 247 N 0.00 0.34 0.02 4.38 -0.00 -1.43 -1.38 115.58 117.51 3m99 h ASN 247 Ca 0.01 0.09 -0.00 0.00 -0.00 0.00 0.00 56.30 56.40 3m99 h ASN 247 Cb 0.03 0.05 0.00 0.00 -0.00 0.00 0.00 38.32 38.40 3m99 h ASN 247 CO -0.06 -0.01 -0.01 1.56 -0.00 0.00 0.00 177.43 178.91 3m99 h GLN 248 N 0.26 -0.03 -0.78 6.67 1.08 -0.59 -0.25 115.11 121.47 3m99 h GLN 248 Ca 0.67 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 58.01 3m99 h GLN 248 Cb 1.92 0.01 -0.14 0.00 -0.05 0.00 0.00 27.48 29.21 3m99 h GLN 248 CO -0.31 0.59 -0.25 0.82 -0.95 0.00 0.00 178.83 178.72 3m99 h ILE 249 N -0.67 0.17 -0.21 2.54 1.08 -0.75 0.16 117.51 119.83 3m99 h ILE 249 Ca -0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.39 3m99 h ILE 249 Cb 0.63 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 3m99 h ILE 249 CO 0.00 0.00 -0.21 -0.74 -0.69 0.00 0.00 178.15 176.52 3m99 h HIS 250 N -0.04 0.41 -0.10 1.37 2.76 -1.43 -2.67 115.15 115.44 3m99 h HIS 250 Ca 0.34 -0.07 -0.21 0.00 -2.20 0.00 0.00 60.37 58.24 3m99 h HIS 250 Cb 0.58 -0.11 0.01 0.00 1.55 0.00 0.00 27.41 29.45 3m99 h HIS 250 CO -0.66 0.56 -0.74 0.37 -1.30 0.00 0.00 177.93 176.16 3m99 h GLN 251 N 0.34 0.69 0.00 5.26 4.15 0.11 -2.82 115.11 122.84 3m99 h GLN 251 Ca 0.06 -0.60 0.00 0.00 0.77 0.00 0.00 58.65 58.88 3m99 h GLN 251 Cb 0.56 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.39 3m99 h GLN 251 CO 0.04 1.21 0.00 0.66 -1.93 0.00 0.00 178.83 178.81 3m99 h SER 252 N 0.36 0.00 -0.08 -0.69 4.64 -1.02 -2.48 113.55 114.28 3m99 h SER 252 Ca -0.06 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.08 3m99 h SER 252 Cb 1.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3m99 h SER 252 CO 0.15 0.00 -0.59 0.22 -0.87 0.00 0.00 176.83 175.74 3m99 h TYR 253 N 0.00 0.88 0.00 4.77 3.20 -1.32 -2.90 116.97 121.60 3m99 h TYR 253 Ca 0.00 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.54 3m99 h TYR 253 Cb 0.56 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3m99 h TYR 253 CO 0.00 1.11 0.00 0.28 -1.64 0.00 0.00 178.16 177.91 3m99 h VAL 254 N 0.52 0.00 0.09 1.81 2.07 -1.19 -2.48 116.25 117.06 3m99 h VAL 254 Ca -0.00 -0.78 -0.26 0.00 0.82 0.00 0.00 66.70 66.48 3m99 h VAL 254 Cb 1.17 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3m99 h VAL 254 CO 0.12 0.00 -1.21 -0.07 0.02 0.00 0.00 177.57 176.43 3m99 h LEU 255 N 0.00 0.28 -0.62 2.57 3.38 -1.57 -3.32 115.31 116.04 3m99 h LEU 255 Ca 0.00 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.67 3m99 h LEU 255 Cb 0.79 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3m99 h LEU 255 CO 0.00 1.25 0.39 -0.78 0.09 0.00 0.00 178.44 179.39 3m99 h ASP 256 N 0.05 0.66 -3.67 -0.43 3.58 -1.23 -3.43 116.42 111.94 3m99 h ASP 256 Ca -0.11 -0.01 -0.55 0.00 0.42 0.00 0.00 57.03 56.78 3m99 h ASP 256 Cb 1.92 -0.15 0.11 0.00 1.72 0.00 0.00 39.33 42.92 3m99 h ASP 256 CO 0.17 0.47 0.75 0.18 -2.88 0.00 0.00 179.24 177.93 3m99 n LEU 257 N -4.69 4.47 0.14 2.28 4.77 -1.07 -4.91 117.00 117.98 3m99 n LEU 257 Ca 0.05 1.21 0.12 0.00 -0.03 0.00 0.00 56.01 57.36 3m99 n LEU 257 Cb 0.05 -1.59 0.07 0.00 -2.33 0.00 0.00 43.42 39.63 3m99 n LEU 257 CO 0.34 0.04 0.31 1.55 -1.33 0.00 0.00 177.39 178.30 3m99 h PRO 258 N 3.23 0.00 -7.34 3.23 0.14 -1.90 -3.49 132.00 125.87 3m99 h PRO 258 Ca -0.49 0.00 -0.46 0.00 0.14 0.00 0.00 66.00 65.19 3m99 h PRO 258 Cb 1.25 0.00 0.16 0.00 0.14 0.00 0.00 31.00 32.55 3m99 h PRO 258 CO 0.67 0.00 0.19 0.54 0.14 0.00 0.00 178.00 179.54 3m99 s ASN 259 N -5.52 2.64 -0.29 1.44 4.22 -1.26 -5.05 114.94 111.12 3m99 s ASN 259 Ca 0.03 1.28 -0.05 0.00 -2.14 0.00 0.00 52.86 51.97 3m99 s ASN 259 Cb 0.08 -1.95 0.02 0.00 1.28 0.00 0.00 41.25 40.68 3m99 s ASN 259 CO 0.74 -3.13 0.04 0.00 -2.04 0.00 0.00 177.10 172.71 3m99 s ALA 260 N -2.92 2.95 -0.01 3.54 0.00 -1.26 -5.16 121.76 118.90 3m99 s ALA 260 Ca 0.65 -1.54 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 3m99 s ALA 260 Cb -0.19 -2.04 0.04 0.00 0.00 0.00 0.00 23.12 20.93 3m99 s ALA 260 CO 0.58 -1.02 0.49 1.17 0.00 0.00 0.00 175.76 176.98 3m99 n LYS 261 N 4.78 0.07 0.00 0.00 4.81 -1.26 -5.24 118.16 121.32 3m99 n LYS 261 Ca -0.14 -0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.01 3m99 n LYS 261 Cb 0.47 0.48 0.00 0.00 0.02 0.00 0.00 35.03 36.00 3m99 n LYS 261 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3m99 n ASN 267 N -0.50 0.00 0.02 3.14 3.02 -1.26 -4.96 115.26 114.71 3m99 n ASN 267 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 3m99 n ASN 267 Cb 0.22 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3m99 n ASN 267 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3m99 n ASN 268 N 4.98 -0.21 -2.95 6.41 3.02 -1.26 -4.96 115.26 120.30 3m99 n ASN 268 Ca 0.00 0.07 -0.14 0.00 -0.03 0.00 0.00 54.58 54.48 3m99 n ASN 268 Cb 0.00 0.42 0.01 0.00 -0.61 0.00 0.00 39.78 39.59 3m99 n ASN 268 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3m99 n LYS 269 N -2.60 1.04 -3.65 3.52 5.02 -1.26 -5.07 118.16 115.17 3m99 n LYS 269 Ca 0.00 -3.14 -0.39 0.00 -2.02 0.00 0.00 58.31 52.76 3m99 n LYS 269 Cb 0.00 -1.41 -0.12 0.00 -0.02 0.00 0.00 35.03 33.48 3m99 n LYS 269 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3m99 s GLN 270 N -2.33 3.34 0.31 1.97 2.00 -1.26 -5.09 119.66 118.60 3m99 s GLN 270 Ca 0.33 -0.72 -0.02 0.00 -2.00 0.00 0.00 55.36 52.95 3m99 s GLN 270 Cb 0.39 -3.58 -0.04 0.00 0.80 0.00 0.00 33.01 30.57 3m99 s GLN 270 CO -0.04 -0.42 0.54 0.00 -0.50 0.00 0.00 175.29 174.87 3m99 n GLU 272 N -1.32 2.16 -1.41 0.00 2.13 -1.26 -4.60 120.64 116.33 3m99 n GLU 272 Ca -0.03 -0.52 -0.35 0.00 0.66 0.00 0.00 57.16 56.92 3m99 n GLU 272 Cb 0.55 -1.15 0.10 0.00 0.27 0.00 0.00 31.44 31.21 3m99 n GLU 272 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3m99 h ILE 274 N -0.21 1.09 0.01 0.00 5.03 -1.94 -1.66 117.51 119.83 3m99 h ILE 274 Ca -0.49 -0.40 0.03 0.00 -0.12 0.00 0.00 64.86 63.88 3m99 h ILE 274 Cb 1.32 -0.20 -0.05 0.00 -3.03 0.00 0.00 36.82 34.87 3m99 h ILE 274 CO 0.49 0.22 -0.30 0.58 -0.68 0.00 0.00 178.15 178.46 3m99 h VAL 275 N 1.18 0.35 0.00 1.67 2.07 -1.95 0.49 116.25 120.06 3m99 h VAL 275 Ca 0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.96 3m99 h VAL 275 Cb 0.17 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3m99 h VAL 275 CO -0.17 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.83 3m99 n HIS 276 N -5.40 0.82 0.08 1.57 8.25 -1.05 -0.46 115.22 119.03 3m99 n HIS 276 Ca -0.05 0.25 0.02 0.00 -0.26 0.00 0.00 57.72 57.67 3m99 n HIS 276 Cb 0.31 -0.90 -0.04 0.00 1.12 0.00 0.00 29.99 30.48 3m99 n HIS 276 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3m99 h THR 277 N 0.00 0.61 0.00 1.59 2.02 -0.65 -3.37 112.91 113.10 3m99 h THR 277 Ca 0.00 -2.02 -0.19 0.00 0.77 0.00 0.00 66.41 64.97 3m99 h THR 277 Cb 0.67 2.15 -0.03 0.00 -1.74 0.00 0.00 68.15 69.19 3m99 h THR 277 CO 0.00 0.35 -1.65 0.52 0.37 0.00 0.00 175.52 175.10 3m99 n VAL 278 N -3.00 0.64 -0.01 3.16 0.31 0.17 -4.65 118.33 114.94 3m99 n VAL 278 Ca -0.05 -0.18 -0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3m99 n VAL 278 Cb 0.78 -1.54 -0.12 0.00 -0.91 0.00 0.00 33.84 32.06 3m99 n VAL 278 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3m99 n PHE 279 N -3.41 0.56 -2.43 3.52 3.01 0.40 -0.40 117.46 118.71 3m99 n PHE 279 Ca -0.23 0.19 -0.43 0.00 1.01 0.00 0.00 57.45 58.00 3m99 n PHE 279 Cb 0.67 -0.95 -0.02 0.00 -0.01 0.00 0.00 39.48 39.16 3m99 n PHE 279 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3m99 s GLU 280 N -2.94 4.28 0.00 -1.08 2.12 -1.13 -4.55 118.70 115.41 3m99 s GLU 280 Ca -0.06 1.68 0.00 0.00 0.36 0.00 0.00 54.97 56.95 3m99 s GLU 280 Cb 0.09 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.80 3m99 s GLU 280 CO 0.83 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 175.36 3m99 n GLY 281 N 3.52 4.26 3.45 -1.50 0.00 0.31 -4.34 105.19 110.89 3m99 n GLY 281 Ca 0.13 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 3m99 n GLY 281 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m99 s SER 282 N -0.49 -0.67 0.28 1.61 1.04 -0.53 -1.18 113.70 113.76 3m99 s SER 282 Ca 0.00 1.16 -0.05 0.00 0.48 0.00 0.00 55.95 57.54 3m99 s SER 282 Cb 0.00 1.09 -0.05 0.00 0.10 0.00 0.00 66.02 67.16 3m99 s SER 282 CO 0.00 -0.21 0.55 -0.76 0.98 0.00 0.00 173.24 173.80 3m99 s LEU 283 N 1.04 4.08 -0.33 2.42 1.43 0.41 -0.01 118.68 127.72 3m99 s LEU 283 Ca -0.06 0.73 -0.08 0.00 -1.03 0.00 0.00 54.13 53.70 3m99 s LEU 283 Cb -0.06 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.65 3m99 s LEU 283 CO -0.10 -0.17 0.12 -0.70 0.23 0.00 0.00 176.35 175.73 3m99 s GLU 284 N -3.44 2.85 -0.47 1.70 2.12 0.34 -0.39 118.70 121.41 3m99 s GLU 284 Ca 0.44 -1.03 -0.22 0.00 0.36 0.00 0.00 54.97 54.53 3m99 s GLU 284 Cb -0.11 -3.48 0.03 0.00 0.26 0.00 0.00 34.13 30.83 3m99 s GLU 284 CO 0.29 -0.58 0.72 -1.12 -0.54 0.00 0.00 175.26 174.03 3m99 s SER 285 N 1.47 6.33 -0.11 -1.70 0.01 0.06 -2.67 113.70 117.09 3m99 s SER 285 Ca 0.01 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.89 3m99 s SER 285 Cb -0.19 -2.35 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 3m99 s SER 285 CO 0.04 -0.91 -0.20 -0.55 0.41 0.00 0.00 173.24 172.03 3m99 s SER 286 N 2.30 3.40 -0.27 2.44 0.15 -1.09 -1.56 113.70 119.06 3m99 s SER 286 Ca 0.24 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.42 3m99 s SER 286 Cb -0.14 -1.48 0.08 0.00 -1.71 0.00 0.00 66.02 62.76 3m99 s SER 286 CO 0.19 0.16 -0.00 -0.63 1.20 0.00 0.00 173.24 174.15 3m99 s ILE 287 N 0.38 1.58 0.14 6.45 1.09 -0.72 -1.91 121.20 128.21 3m99 s ILE 287 Ca -0.15 -1.50 -0.13 0.00 -1.10 0.00 0.00 60.65 57.76 3m99 s ILE 287 Cb -0.17 -1.97 -0.07 0.00 -1.06 0.00 0.00 42.46 39.19 3m99 s ILE 287 CO 0.07 -0.31 0.53 -0.69 -0.10 0.00 0.00 174.94 174.44 3m99 s VAL 288 N 1.33 4.90 -0.61 2.92 1.01 -0.39 -2.47 120.40 127.09 3m99 s VAL 288 Ca 0.01 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.79 3m99 s VAL 288 Cb -0.19 -3.72 0.15 0.00 0.00 0.00 0.00 36.38 32.63 3m99 s VAL 288 CO -0.10 0.24 0.39 0.00 0.00 0.00 0.00 175.10 175.63 3m99 n PRO 290 N 2.50 0.12 -0.01 0.00 -0.04 -1.26 -4.09 135.00 132.23 3m99 n PRO 290 Ca 0.14 0.20 -0.02 0.00 -0.04 0.00 0.00 63.50 63.78 3m99 n PRO 290 Cb 0.35 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 3m99 n PRO 290 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m99 n GLY 291 N -0.17 -0.22 3.84 0.55 0.00 -1.26 -5.04 105.19 102.89 3m99 n GLY 291 Ca 0.05 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3m99 n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m99 n GLN 293 N -2.87 4.16 -4.17 0.00 -0.06 -1.26 -4.74 117.38 108.44 3m99 n GLN 293 Ca 0.07 -4.05 -0.23 0.00 -2.00 0.00 0.00 57.00 50.79 3m99 n GLN 293 Cb 0.54 -2.38 -0.06 0.00 -4.06 0.00 0.00 30.24 24.27 3m99 n GLN 293 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 3m99 s ASN 294 N -1.11 4.69 0.51 1.69 -0.87 -1.26 -5.16 114.94 113.43 3m99 s ASN 294 Ca 0.46 -0.70 0.03 0.00 -1.57 0.00 0.00 52.86 51.08 3m99 s ASN 294 Cb 0.30 -0.81 0.08 0.00 -0.02 0.00 0.00 41.25 40.80 3m99 s ASN 294 CO -0.26 -0.18 0.61 0.59 -2.57 0.00 0.00 177.10 175.29 3m99 n ASN 295 N -1.06 1.16 -4.39 -1.22 3.02 -1.26 -4.35 115.26 107.16 3m99 n ASN 295 Ca -0.05 -1.90 -0.29 0.00 -0.03 0.00 0.00 54.58 52.31 3m99 n ASN 295 Cb 0.60 -0.36 -0.07 0.00 -0.61 0.00 0.00 39.78 39.34 3m99 n ASN 295 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3m99 n SER 296 N -2.75 2.68 -4.62 6.41 3.41 -1.25 -4.52 113.62 112.98 3m99 n SER 296 Ca 0.11 -2.66 -0.46 0.00 -0.26 0.00 0.00 58.87 55.60 3m99 n SER 296 Cb 0.40 -1.60 -0.03 0.00 -0.26 0.00 0.00 64.21 62.73 3m99 n SER 296 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3m99 n LYS 297 N 8.05 1.59 -4.17 4.33 4.76 -1.03 -4.64 118.16 127.06 3m99 n LYS 297 Ca 0.45 0.57 -0.19 0.00 -2.87 0.00 0.00 58.31 56.27 3m99 n LYS 297 Cb 0.45 -2.11 -0.16 0.00 -1.84 0.00 0.00 35.03 31.38 3m99 n LYS 297 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3m99 s THR 298 N -0.32 0.49 0.00 -0.18 2.01 -1.26 -1.75 115.64 114.63 3m99 s THR 298 Ca 0.68 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.57 3m99 s THR 298 Cb -0.73 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 3m99 s THR 298 CO 0.53 0.19 -0.14 0.42 -0.69 0.00 0.00 174.62 174.93 3m99 s THR 299 N 0.59 1.08 -0.28 -0.82 -4.23 -0.60 -4.99 115.64 106.38 3m99 s THR 299 Ca -0.07 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 59.63 3m99 s THR 299 Cb -0.11 -0.92 -0.04 0.00 1.34 0.00 0.00 72.50 72.77 3m99 s THR 299 CO -0.00 0.23 0.26 -0.63 -0.54 0.00 0.00 174.62 173.93 3m99 s ILE 300 N -0.45 5.26 -0.13 2.99 1.01 -1.26 -0.76 121.20 127.86 3m99 s ILE 300 Ca 0.04 0.28 0.02 0.00 0.00 0.00 0.00 60.65 61.00 3m99 s ILE 300 Cb -0.06 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.82 3m99 s ILE 300 CO -0.00 0.20 -0.19 -1.81 0.00 0.00 0.00 174.94 173.14 3m99 s ASP 301 N 1.72 2.84 0.69 3.58 -0.00 0.48 -4.95 116.67 121.02 3m99 s ASP 301 Ca 0.10 -0.53 -0.16 0.00 -0.00 0.00 0.00 52.55 51.96 3m99 s ASP 301 Cb -0.16 -1.30 0.01 0.00 -0.00 0.00 0.00 42.92 41.48 3m99 s ASP 301 CO 0.11 0.05 1.18 -2.84 -0.00 0.00 0.00 175.17 173.66 3m99 s PRO 302 N 0.92 2.48 -0.08 8.23 0.02 -1.26 0.15 135.00 145.46 3m99 s PRO 302 Ca -0.06 1.65 -0.18 0.00 0.02 0.00 0.00 61.00 62.44 3m99 s PRO 302 Cb -0.15 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.52 3m99 s PRO 302 CO -0.02 -1.55 0.42 -0.59 -0.33 0.00 0.00 177.00 174.93 3m99 s PHE 303 N -2.03 -0.37 -1.73 6.54 -0.12 -0.32 -4.76 117.98 115.18 3m99 s PHE 303 Ca 0.72 0.76 0.15 0.00 -0.05 0.00 0.00 56.93 58.51 3m99 s PHE 303 Cb -0.26 0.17 0.19 0.00 -0.63 0.00 0.00 43.02 42.49 3m99 s PHE 303 CO 0.42 -0.36 1.07 1.28 -0.05 0.00 0.00 175.22 177.58 3m99 n LEU 304 N 1.83 2.51 0.00 -1.99 4.77 -1.26 -0.53 117.00 122.33 3m99 n LEU 304 Ca -0.18 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 3m99 n LEU 304 Cb 0.57 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3m99 n LEU 304 CO 0.18 0.51 0.00 -0.90 -1.33 0.00 0.00 177.39 175.85 3m99 n ASP 305 N 0.86 0.00 -4.89 -1.43 5.68 -1.26 -4.67 116.55 110.83 3m99 n ASP 305 Ca 0.11 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.10 3m99 n ASP 305 Cb 0.41 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.35 3m99 n ASP 305 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3m99 s LEU 306 N 0.00 4.02 -0.18 -2.12 1.43 -0.61 -4.95 118.68 116.27 3m99 s LEU 306 Ca 0.00 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 3m99 s LEU 306 Cb 0.00 -3.68 0.02 0.00 0.03 0.00 0.00 46.19 42.57 3m99 s LEU 306 CO 0.00 -0.23 -0.17 -0.55 0.23 0.00 0.00 176.35 175.63 3m99 s SER 307 N -3.04 3.11 0.11 2.29 0.15 -1.26 -1.04 113.70 114.02 3m99 s SER 307 Ca 0.46 -0.67 0.09 0.00 0.70 0.00 0.00 55.95 56.53 3m99 s SER 307 Cb -0.11 -1.39 -0.04 0.00 -1.71 0.00 0.00 66.02 62.77 3m99 s SER 307 CO 0.29 -0.03 -0.18 -0.76 1.20 0.00 0.00 173.24 173.75 3m99 s LEU 308 N 1.33 2.68 -0.20 3.45 1.43 -0.78 -5.00 118.68 121.59 3m99 s LEU 308 Ca 0.04 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.49 3m99 s LEU 308 Cb -0.14 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 3m99 s LEU 308 CO -0.12 0.19 0.12 -1.81 0.23 0.00 0.00 176.35 174.96 3m99 s ASP 309 N -2.05 6.13 -1.13 2.29 1.01 -1.26 -1.73 116.67 119.94 3m99 s ASP 309 Ca 0.17 0.21 -0.08 0.00 0.71 0.00 0.00 52.55 53.57 3m99 s ASP 309 Cb -0.11 -2.07 0.27 0.00 1.01 0.00 0.00 42.92 42.02 3m99 s ASP 309 CO 0.09 0.18 1.36 -0.38 0.21 0.00 0.00 175.17 176.63 3m99 n ILE 310 N 3.53 4.83 -0.14 0.77 2.08 -1.26 -4.75 119.36 124.43 3m99 n ILE 310 Ca -0.16 -5.45 0.00 0.00 0.56 0.00 0.00 62.75 57.69 3m99 n ILE 310 Cb 0.52 -2.36 0.00 0.00 -0.75 0.00 0.00 39.64 37.05 3m99 n ILE 310 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3m99 n LYS 311 N 2.54 2.06 -0.34 0.38 5.02 -1.26 -4.79 118.16 121.76 3m99 n LYS 311 Ca 0.27 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.54 3m99 n LYS 311 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.34 3m99 n LYS 311 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3m99 n ASP 312 N 0.00 2.57 -3.62 4.39 8.00 -1.26 -4.55 116.55 122.08 3m99 n ASP 312 Ca 0.00 -1.81 -0.40 0.00 0.71 0.00 0.00 54.79 53.30 3m99 n ASP 312 Cb 0.00 -0.61 0.01 0.00 -0.02 0.00 0.00 41.12 40.50 3m99 n ASP 312 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m99 n LYS 313 N 2.18 5.07 -0.16 -1.24 5.02 -1.26 -4.89 118.16 122.87 3m99 n LYS 313 Ca 0.09 -4.67 0.13 0.00 -2.02 0.00 0.00 58.31 51.84 3m99 n LYS 313 Cb 0.33 -2.45 0.25 0.00 -0.02 0.00 0.00 35.03 33.14 3m99 n LYS 313 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3m99 n LYS 314 N 0.14 -0.03 -4.05 1.97 4.76 -1.26 -4.35 118.16 115.34 3m99 n LYS 314 Ca 0.42 0.69 -0.31 0.00 -2.87 0.00 0.00 58.31 56.24 3m99 n LYS 314 Cb 0.28 -1.20 -0.06 0.00 -1.84 0.00 0.00 35.03 32.21 3m99 n LYS 314 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3m99 s LYS 315 N -4.90 3.03 0.43 1.97 1.02 -1.26 -0.64 119.74 119.38 3m99 s LYS 315 Ca -0.05 -0.58 0.16 0.00 0.02 0.00 0.00 55.97 55.52 3m99 s LYS 315 Cb 0.16 -2.82 0.95 0.00 -0.52 0.00 0.00 37.83 35.59 3m99 s LYS 315 CO 0.38 0.60 1.93 1.25 -0.92 0.00 0.00 175.35 178.59 3m99 h LEU 316 N 3.54 0.00 -1.45 3.17 5.85 -1.62 -1.57 115.31 123.23 3m99 h LEU 316 Ca -0.47 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 3m99 h LEU 316 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3m99 h LEU 316 CO 0.66 0.25 -0.28 1.88 -0.34 0.00 0.00 178.44 180.62 3m99 h TYR 317 N 0.00 0.00 -0.30 1.25 -1.99 -1.92 -2.34 116.97 111.68 3m99 h TYR 317 Ca -0.00 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 3m99 h TYR 317 Cb 0.47 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 3m99 h TYR 317 CO 0.00 0.28 -0.25 0.93 -0.00 0.00 0.00 178.16 179.11 3m99 h GLU 318 N 0.00 0.59 -0.00 4.88 5.08 -1.58 0.12 114.58 123.67 3m99 h GLU 318 Ca -0.00 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 3m99 h GLU 318 Cb 0.50 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3m99 h GLU 318 CO 0.04 0.79 -0.45 0.00 -1.00 0.00 0.00 179.01 178.39 3m99 h LEU 320 N 0.00 0.04 -0.35 0.00 3.38 -1.14 -2.73 115.31 114.51 3m99 h LEU 320 Ca -0.00 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3m99 h LEU 320 Cb 0.79 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 3m99 h LEU 320 CO 0.06 1.05 0.05 0.44 0.09 0.00 0.00 178.44 180.13 3m99 h ASP 321 N 0.01 -0.04 0.64 -0.43 3.32 -0.70 -2.19 116.42 117.03 3m99 h ASP 321 Ca -0.17 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 3m99 h ASP 321 Cb 1.91 0.10 0.01 0.00 0.22 0.00 0.00 39.33 41.57 3m99 h ASP 321 CO 0.11 0.02 -0.31 0.28 -1.72 0.00 0.00 179.24 177.62 3m99 h SER 322 N 0.16 -0.73 0.00 6.45 0.02 -1.53 0.48 113.55 118.41 3m99 h SER 322 Ca 0.17 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3m99 h SER 322 Cb 0.21 0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3m99 h SER 322 CO -0.24 -0.52 0.61 0.15 -1.14 0.00 0.00 176.83 175.69 3m99 h PHE 323 N -0.86 0.00 0.00 3.45 3.57 -1.47 0.32 116.94 121.95 3m99 h PHE 323 Ca -0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3m99 h PHE 323 Cb 0.66 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3m99 h PHE 323 CO 0.08 0.00 -1.00 1.58 -2.23 0.00 0.00 178.31 176.75 3m99 n HIS 324 N -2.71 0.00 -2.61 0.41 -0.00 -0.83 -4.24 115.22 105.24 3m99 n HIS 324 Ca -0.01 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.83 3m99 n HIS 324 Cb 0.64 -0.12 -0.04 0.00 -0.12 0.00 0.00 29.99 30.34 3m99 n HIS 324 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 3m99 s LYS 325 N -2.46 3.90 0.33 1.57 0.00 0.17 -4.45 119.74 118.80 3m99 s LYS 325 Ca 0.01 1.31 -0.28 0.00 0.00 0.00 0.00 55.97 57.01 3m99 s LYS 325 Cb 0.09 -2.12 -0.09 0.00 0.00 0.00 0.00 37.83 35.70 3m99 s LYS 325 CO 0.51 -0.34 1.18 0.15 0.00 0.00 0.00 175.35 176.86 3m99 s LYS 326 N -3.21 4.37 -0.07 1.78 1.02 -1.26 -4.64 119.74 117.73 3m99 s LYS 326 Ca 0.66 1.94 -0.01 0.00 0.02 0.00 0.00 55.97 58.58 3m99 s LYS 326 Cb -0.15 -2.99 0.03 0.00 -0.52 0.00 0.00 37.83 34.20 3m99 s LYS 326 CO 0.18 -0.08 -0.02 -1.83 -0.92 0.00 0.00 175.35 172.69 3m99 s GLU 327 N -1.83 0.78 -0.26 1.68 -1.05 0.70 -4.95 118.70 113.77 3m99 s GLU 327 Ca 0.50 0.02 -0.34 0.00 -0.15 0.00 0.00 54.97 55.00 3m99 s GLU 327 Cb -0.34 -1.05 -0.11 0.00 -0.44 0.00 0.00 34.13 32.20 3m99 s GLU 327 CO 0.44 -0.26 2.08 1.04 0.95 0.00 0.00 175.26 179.50 3m99 n GLN 328 N 4.95 1.47 -1.66 -4.83 3.00 -1.26 -1.10 117.38 117.96 3m99 n GLN 328 Ca -0.10 0.46 -0.42 0.00 -0.01 0.00 0.00 57.00 56.92 3m99 n GLN 328 Cb 0.50 -2.58 -0.03 0.00 0.00 0.00 0.00 30.24 28.13 3m99 n GLN 328 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3m99 s LEU 329 N 6.33 4.05 -0.30 1.08 2.96 -1.25 -4.88 118.68 126.66 3m99 s LEU 329 Ca 1.03 2.36 -0.23 0.00 -0.22 0.00 0.00 54.13 57.07 3m99 s LEU 329 Cb -0.76 -3.52 -0.00 0.00 0.50 0.00 0.00 46.19 42.40 3m99 s LEU 329 CO 0.49 -1.40 0.76 -0.75 -1.32 0.00 0.00 176.35 174.13 3m99 s LYS 330 N 5.19 3.97 -0.21 1.98 2.47 -1.26 -3.83 119.74 128.04 3m99 s LYS 330 Ca 0.93 0.56 -0.02 0.00 -1.56 0.00 0.00 55.97 55.88 3m99 s LYS 330 Cb -0.39 -3.72 0.01 0.00 -1.46 0.00 0.00 37.83 32.27 3m99 s LYS 330 CO 0.39 -0.64 -0.11 0.34 0.16 0.00 0.00 175.35 175.49 3m99 s ASP 331 N 1.60 3.84 -0.82 1.43 3.68 -1.26 -5.05 116.67 120.09 3m99 s ASP 331 Ca 0.31 -0.54 -0.01 0.00 2.13 0.00 0.00 52.55 54.44 3m99 s ASP 331 Cb -0.14 -1.63 0.20 0.00 -1.45 0.00 0.00 42.92 39.90 3m99 s ASP 331 CO 0.12 -0.02 0.69 -0.36 0.13 0.00 0.00 175.17 175.72 3m99 s PHE 332 N 1.39 3.77 -1.28 -5.34 0.40 -1.26 -5.16 117.98 110.51 3m99 s PHE 332 Ca 0.05 -3.02 -0.22 0.00 -0.60 0.00 0.00 56.93 53.14 3m99 s PHE 332 Cb -0.14 -3.17 0.02 0.00 0.51 0.00 0.00 43.02 40.25 3m99 s PHE 332 CO -0.07 -0.73 0.56 -1.71 0.70 0.00 0.00 175.22 173.97 3m99 n ASN 333 N 2.48 -3.12 0.00 1.36 5.15 -1.26 -5.38 115.26 114.49 3m99 n ASN 333 Ca 0.19 -1.20 0.00 0.00 -0.60 0.00 0.00 54.58 52.96 3m99 n ASN 333 Cb 0.37 -2.18 0.00 0.00 -0.53 0.00 0.00 39.78 37.43 3m99 n ASN 333 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m99 n ALA 345 N -4.72 0.00 -3.47 5.20 0.00 -1.25 -5.33 120.51 110.94 3m99 n ALA 345 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3m99 n ALA 345 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 3m99 n ALA 345 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3m99 s ILE 346 N -2.61 -0.39 0.04 0.00 2.07 -1.07 -3.88 121.20 115.36 3m99 s ILE 346 Ca 0.00 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.30 3m99 s ILE 346 Cb 0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 3m99 s ILE 346 CO 0.00 0.00 -0.16 -0.75 -1.91 0.00 0.00 174.94 172.12 3m99 s LYS 347 N 2.18 1.08 -0.03 3.50 2.20 -0.26 -1.26 119.74 127.16 3m99 s LYS 347 Ca -0.04 -0.83 -0.06 0.00 -0.36 0.00 0.00 55.97 54.67 3m99 s LYS 347 Cb -0.06 -1.13 0.01 0.00 -1.51 0.00 0.00 37.83 35.14 3m99 s LYS 347 CO -0.17 0.28 0.15 -1.14 -0.36 0.00 0.00 175.35 174.11 3m99 s GLN 348 N -1.18 0.35 -0.12 4.03 0.74 -0.80 -0.22 119.66 122.45 3m99 s GLN 348 Ca 0.04 -0.12 -0.03 0.00 0.05 0.00 0.00 55.36 55.29 3m99 s GLN 348 Cb -0.08 0.15 -0.03 0.00 1.10 0.00 0.00 33.01 34.14 3m99 s GLN 348 CO 0.02 -0.07 0.00 -0.51 -0.55 0.00 0.00 175.29 174.18 3m99 s LEU 349 N -0.71 3.55 0.01 3.68 1.43 -1.26 -2.68 118.68 122.69 3m99 s LEU 349 Ca -0.08 0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 3m99 s LEU 349 Cb -0.05 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3m99 s LEU 349 CO 0.01 0.28 0.25 -0.83 0.23 0.00 0.00 176.35 176.29 3m99 s GLY 350 N -0.31 -0.07 0.04 -3.19 0.00 -1.09 -4.34 107.32 98.37 3m99 s GLY 350 Ca 0.07 0.07 -0.29 0.00 0.00 0.00 0.00 44.72 44.57 3m99 s GLY 350 CO 0.02 -0.12 0.93 -0.42 0.00 0.00 0.00 173.10 173.51 3m99 s ILE 351 N -1.68 4.73 -0.23 0.90 1.01 -0.84 0.13 121.20 125.22 3m99 s ILE 351 Ca -0.12 1.97 -0.09 0.00 0.00 0.00 0.00 60.65 62.42 3m99 s ILE 351 Cb -0.05 -4.28 -0.11 0.00 0.01 0.00 0.00 42.46 38.03 3m99 s ILE 351 CO 0.01 0.25 -0.28 1.57 0.00 0.00 0.00 174.94 176.50 3m99 n HIS 352 N 3.34 0.00 -4.88 3.97 -0.00 0.98 -1.55 115.22 117.09 3m99 n HIS 352 Ca 0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.48 3m99 n HIS 352 Cb 0.50 -0.84 -0.17 0.00 -0.00 0.00 0.00 29.99 29.48 3m99 n HIS 352 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3m99 s LYS 353 N -2.43 2.16 0.42 1.57 -0.14 -0.77 -4.93 119.74 115.62 3m99 s LYS 353 Ca -0.32 -0.63 -0.09 0.00 -1.36 0.00 0.00 55.97 53.57 3m99 s LYS 353 Cb 0.11 -1.74 -0.05 0.00 -1.68 0.00 0.00 37.83 34.47 3m99 s LYS 353 CO 0.44 0.15 0.77 -0.51 -0.76 0.00 0.00 175.35 175.44 3m99 s LEU 354 N 0.34 3.77 0.54 3.17 1.43 -1.26 -1.46 118.68 125.21 3m99 s LEU 354 Ca -0.12 1.05 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 3m99 s LEU 354 Cb -0.15 -3.95 0.03 0.00 0.03 0.00 0.00 46.19 42.15 3m99 s LEU 354 CO 0.05 -0.45 0.76 -2.16 0.23 0.00 0.00 176.35 174.78 3m99 s PRO 355 N -4.13 2.58 -0.05 1.29 0.04 -1.26 -4.72 135.00 128.76 3m99 s PRO 355 Ca 0.50 -0.77 -0.26 0.00 0.04 0.00 0.00 61.00 60.51 3m99 s PRO 355 Cb -0.10 -2.50 -0.21 0.00 0.04 0.00 0.00 34.50 31.73 3m99 s PRO 355 CO 0.36 -0.68 1.10 0.77 0.04 0.00 0.00 177.00 178.59 3m99 h SER 356 N 0.10 -0.04 -3.57 6.66 0.02 -0.99 -3.40 113.55 112.34 3m99 h SER 356 Ca -0.42 -0.56 -0.71 0.00 -0.84 0.00 0.00 61.79 59.25 3m99 h SER 356 Cb 1.29 0.01 -0.24 0.00 0.14 0.00 0.00 62.40 63.61 3m99 h SER 356 CO 0.52 0.57 -0.49 -0.69 -1.14 0.00 0.00 176.83 175.59 3m99 s VAL 357 N -3.70 4.73 -0.52 2.27 1.01 -0.74 -0.51 120.40 122.94 3m99 s VAL 357 Ca -0.16 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 3m99 s VAL 357 Cb 0.00 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.79 3m99 s VAL 357 CO 0.64 -0.26 0.82 -0.22 0.00 0.00 0.00 175.10 176.09 3m99 s LEU 358 N 1.58 4.38 -0.23 3.92 2.96 0.11 -4.49 118.68 126.91 3m99 s LEU 358 Ca 0.03 -0.48 -0.17 0.00 -0.22 0.00 0.00 54.13 53.29 3m99 s LEU 358 Cb -0.19 -2.74 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 3m99 s LEU 358 CO 0.07 -1.08 0.47 -0.69 -1.32 0.00 0.00 176.35 173.80 3m99 s VAL 359 N 3.45 5.13 -0.19 1.68 1.01 -1.26 -2.05 120.40 128.17 3m99 s VAL 359 Ca 0.26 0.82 -0.04 0.00 0.00 0.00 0.00 61.98 63.02 3m99 s VAL 359 Cb -0.14 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 3m99 s VAL 359 CO 0.18 0.17 -0.04 -0.76 0.00 0.00 0.00 175.10 174.65 3m99 s LEU 360 N 1.79 3.08 -0.31 3.92 1.43 0.25 -1.58 118.68 127.26 3m99 s LEU 360 Ca 0.21 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.98 3m99 s LEU 360 Cb -0.15 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3m99 s LEU 360 CO 0.09 0.07 0.10 -1.58 0.23 0.00 0.00 176.35 175.26 3m99 s GLN 361 N 0.92 3.05 -0.15 1.70 -0.44 -0.20 -0.44 119.66 124.10 3m99 s GLN 361 Ca -0.00 -0.89 -0.25 0.00 -2.50 0.00 0.00 55.36 51.72 3m99 s GLN 361 Cb -0.15 -3.42 -0.02 0.00 -1.64 0.00 0.00 33.01 27.79 3m99 s GLN 361 CO 0.01 -0.48 0.81 -0.51 0.50 0.00 0.00 175.29 175.63 3m99 s LEU 362 N 1.50 4.20 -0.40 3.68 1.43 0.31 -1.87 118.68 127.54 3m99 s LEU 362 Ca 0.02 1.19 -0.29 0.00 -1.03 0.00 0.00 54.13 54.02 3m99 s LEU 362 Cb -0.18 -3.22 0.01 0.00 0.03 0.00 0.00 46.19 42.84 3m99 s LEU 362 CO 0.03 -0.35 1.35 -0.54 0.23 0.00 0.00 176.35 177.07 3m99 s LYS 363 N 1.89 3.66 0.00 1.70 1.02 -0.70 -4.83 119.74 122.48 3m99 s LYS 363 Ca 0.39 0.93 0.16 0.00 0.02 0.00 0.00 55.97 57.47 3m99 s LYS 363 Cb -0.17 -3.98 -0.09 0.00 -0.52 0.00 0.00 37.83 33.07 3m99 s LYS 363 CO 0.14 -1.46 0.75 0.54 -0.92 0.00 0.00 175.35 174.40 3m99 n ARG 364 N 7.91 1.82 -4.15 1.68 3.00 -1.26 -4.37 116.66 121.29 3m99 n ARG 364 Ca 0.15 -0.39 -0.24 0.00 -0.01 0.00 0.00 57.85 57.36 3m99 n ARG 364 Cb 0.48 -1.25 -0.07 0.00 0.00 0.00 0.00 32.46 31.62 3m99 n ARG 364 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3m99 s PHE 365 N -2.18 2.64 0.33 -1.55 0.08 -1.26 0.41 117.98 116.45 3m99 s PHE 365 Ca 0.09 -0.46 -0.08 0.00 0.12 0.00 0.00 56.93 56.61 3m99 s PHE 365 Cb 0.12 -1.71 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 3m99 s PHE 365 CO 0.52 0.31 0.54 -1.21 -0.10 0.00 0.00 175.22 175.29 3m99 s GLU 366 N -3.84 1.88 -0.63 0.44 2.02 -1.19 -4.96 118.70 112.42 3m99 s GLU 366 Ca 0.38 -1.55 0.05 0.00 0.02 0.00 0.00 54.97 53.87 3m99 s GLU 366 Cb -0.00 0.49 0.17 0.00 0.10 0.00 0.00 34.13 34.89 3m99 s GLU 366 CO 0.22 -0.81 0.45 -1.01 0.02 0.00 0.00 175.26 174.14 3m99 s HIS 367 N -3.17 2.92 -0.12 1.61 3.76 -1.26 -3.80 115.29 115.23 3m99 s HIS 367 Ca 0.25 -3.07 -0.26 0.00 -0.15 0.00 0.00 55.06 51.83 3m99 s HIS 367 Cb -0.01 -2.24 -0.27 0.00 1.11 0.00 0.00 32.58 31.16 3m99 s HIS 367 CO 0.15 -0.62 0.75 -0.07 -0.85 0.00 0.00 174.74 174.10 3m99 h LEU 368 N 5.47 0.14 0.00 0.89 3.38 -1.90 -3.45 115.31 119.84 3m99 h LEU 368 Ca 0.17 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3m99 h LEU 368 Cb 0.80 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3m99 h LEU 368 CO 0.63 1.16 0.00 0.18 0.09 0.00 0.00 178.44 180.50 3m99 n LEU 369 N -4.44 0.00 0.00 1.67 4.77 -1.26 -5.00 117.00 112.74 3m99 n LEU 369 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3m99 n LEU 369 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3m99 n LEU 369 CO 0.37 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 177.02 3m99 n ASN 370 N -0.78 0.00 -2.26 -1.43 3.02 -1.26 -4.86 115.26 107.69 3m99 n ASN 370 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 3m99 n ASN 370 Cb 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 3m99 n ASN 370 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m99 n GLY 371 N 2.73 2.43 3.73 7.41 0.00 -1.26 -5.03 105.19 115.20 3m99 n GLY 371 Ca 0.00 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 3m99 n GLY 371 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3m99 s SER 372 N -3.30 6.79 -0.70 1.61 0.15 -1.26 -4.92 113.70 112.08 3m99 s SER 372 Ca 0.33 2.47 -0.19 0.00 0.70 0.00 0.00 55.95 59.25 3m99 s SER 372 Cb 0.35 -2.61 0.11 0.00 -1.71 0.00 0.00 66.02 62.16 3m99 s SER 372 CO -0.06 -0.62 0.86 0.20 1.20 0.00 0.00 173.24 174.82 3m99 s ASN 373 N 0.56 6.31 0.16 5.45 0.01 -1.26 -3.20 114.94 122.98 3m99 s ASN 373 Ca 0.60 -1.54 0.04 0.00 -0.71 0.00 0.00 52.86 51.25 3m99 s ASN 373 Cb -0.38 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 3m99 s ASN 373 CO 0.37 -1.15 0.20 -0.13 -1.51 0.00 0.00 177.10 174.88 3m99 s ARG 374 N 2.86 3.10 0.02 -0.60 0.52 -1.25 -4.77 118.95 118.83 3m99 s ARG 374 Ca 0.19 -0.78 0.07 0.00 -0.52 0.00 0.00 55.73 54.69 3m99 s ARG 374 Cb -0.17 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 3m99 s ARG 374 CO 0.03 0.49 -0.21 -1.59 0.02 0.00 0.00 175.30 174.05 3m99 s LYS 375 N -3.20 2.07 -0.22 3.54 0.00 -1.26 -3.16 119.74 117.51 3m99 s LYS 375 Ca 0.32 -0.96 -0.07 0.00 0.00 0.00 0.00 55.97 55.26 3m99 s LYS 375 Cb -0.10 -2.15 -0.03 0.00 0.00 0.00 0.00 37.83 35.55 3m99 s LYS 375 CO 0.25 0.55 0.04 -0.51 0.00 0.00 0.00 175.35 175.69 3m99 s LEU 376 N -1.18 3.44 -0.02 2.77 1.43 0.17 -4.97 118.68 120.32 3m99 s LEU 376 Ca 0.13 -0.16 0.10 0.00 -1.03 0.00 0.00 54.13 53.17 3m99 s LEU 376 Cb -0.10 -1.90 0.29 0.00 0.03 0.00 0.00 46.19 44.51 3m99 s LEU 376 CO 0.03 0.03 1.24 0.47 0.23 0.00 0.00 176.35 178.35 3m99 n ASP 377 N 4.46 2.89 -4.61 2.29 10.43 -1.26 -4.87 116.55 125.88 3m99 n ASP 377 Ca -0.17 -2.10 -0.44 0.00 2.57 0.00 0.00 54.79 54.66 3m99 n ASP 377 Cb 0.52 -0.23 -0.03 0.00 1.84 0.00 0.00 41.12 43.21 3m99 n ASP 377 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3m99 n ASP 378 N 0.27 3.43 -4.72 -2.24 8.00 -1.26 -4.92 116.55 115.11 3m99 n ASP 378 Ca 0.11 0.42 -0.42 0.00 0.71 0.00 0.00 54.79 55.61 3m99 n ASP 378 Cb 0.45 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 39.99 3m99 n ASP 378 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3m99 s PHE 379 N 7.12 3.17 -0.11 1.24 2.19 -1.26 -4.94 117.98 125.40 3m99 s PHE 379 Ca 0.98 0.82 0.04 0.00 0.33 0.00 0.00 56.93 59.10 3m99 s PHE 379 Cb -0.41 -3.78 0.00 0.00 -1.31 0.00 0.00 43.02 37.53 3m99 s PHE 379 CO 0.39 -2.79 -0.23 0.42 1.83 0.00 0.00 175.22 174.84 3m99 s ILE 380 N 1.12 1.99 -0.20 3.12 1.01 -1.26 -4.67 121.20 122.31 3m99 s ILE 380 Ca 0.67 -0.97 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 3m99 s ILE 380 Cb -0.40 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 3m99 s ILE 380 CO 0.31 0.54 0.87 -1.83 0.00 0.00 0.00 174.94 174.83 3m99 s GLU 381 N 0.47 4.26 -0.05 2.79 -1.05 0.18 -4.75 118.70 120.55 3m99 s GLU 381 Ca -0.16 1.07 -0.03 0.00 -0.15 0.00 0.00 54.97 55.70 3m99 s GLU 381 Cb -0.17 -3.61 -0.04 0.00 -0.44 0.00 0.00 34.13 29.87 3m99 s GLU 381 CO 0.06 -0.45 0.09 -0.59 0.95 0.00 0.00 175.26 175.33 3m99 s PHE 382 N 2.56 3.37 0.49 4.83 -0.71 -1.26 -2.09 117.98 125.18 3m99 s PHE 382 Ca 0.38 0.31 -0.11 0.00 -1.04 0.00 0.00 56.93 56.48 3m99 s PHE 382 Cb -0.16 -1.81 -0.05 0.00 -1.21 0.00 0.00 43.02 39.78 3m99 s PHE 382 CO 0.10 0.59 0.88 -1.25 -1.34 0.00 0.00 175.22 174.20 3m99 s PRO 383 N -1.39 3.71 0.23 1.99 0.04 -1.26 -4.97 135.00 133.35 3m99 s PRO 383 Ca 0.19 0.57 0.01 0.00 0.04 0.00 0.00 61.00 61.81 3m99 s PRO 383 Cb -0.12 -2.26 0.23 0.00 0.04 0.00 0.00 34.50 32.39 3m99 s PRO 383 CO 0.09 -0.25 1.57 0.00 0.04 0.00 0.00 177.00 178.45 3m99 h THR 384 N 0.52 1.34 -3.56 1.26 1.03 -1.98 -3.42 112.91 108.11 3m99 h THR 384 Ca -0.46 -1.80 -0.56 0.00 -0.01 0.00 0.00 66.41 63.57 3m99 h THR 384 Cb 1.19 1.82 -0.33 0.00 -1.07 0.00 0.00 68.15 69.77 3m99 h THR 384 CO 0.62 0.55 -0.84 -0.31 -0.01 0.00 0.00 175.52 175.53 3m99 s TYR 385 N -3.95 1.76 -0.16 0.00 1.51 -1.26 -2.03 117.35 113.23 3m99 s TYR 385 Ca -0.06 -0.63 -0.02 0.00 -1.01 0.00 0.00 57.07 55.36 3m99 s TYR 385 Cb 0.12 -1.23 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 3m99 s TYR 385 CO 0.81 -0.27 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.73 3m99 s LEU 386 N 0.40 2.93 -0.12 -1.29 2.96 -0.64 -4.92 118.68 118.00 3m99 s LEU 386 Ca -0.12 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 3m99 s LEU 386 Cb -0.15 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3m99 s LEU 386 CO 0.04 0.13 0.12 0.21 -1.32 0.00 0.00 176.35 175.53 3m99 s ASN 387 N 0.59 6.22 0.00 3.68 3.84 -1.26 -0.04 114.94 127.96 3m99 s ASN 387 Ca -0.05 0.41 0.01 0.00 0.21 0.00 0.00 52.86 53.43 3m99 s ASN 387 Cb -0.15 -1.99 0.01 0.00 -0.55 0.00 0.00 41.25 38.57 3m99 s ASN 387 CO 0.03 0.39 0.89 0.23 -2.79 0.00 0.00 177.10 175.85 3m99 n MET 388 N 2.10 2.01 0.18 0.43 2.81 -0.77 -4.71 117.12 119.17 3m99 n MET 388 Ca -0.20 -1.28 0.16 0.00 -1.81 0.00 0.00 57.70 54.58 3m99 n MET 388 Cb 0.55 -1.01 0.78 0.00 -0.71 0.00 0.00 33.22 32.83 3m99 n MET 388 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3m99 h LYS 389 N 0.11 0.00 -0.00 0.03 2.10 -1.83 -1.26 116.57 115.72 3m99 h LYS 389 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3m99 h LYS 389 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3m99 h LYS 389 CO 0.00 0.00 -0.20 0.09 -2.00 0.00 0.00 179.45 177.34 3m99 n ASN 390 N -4.01 0.69 -0.36 7.07 3.02 -1.26 -3.92 115.26 116.49 3m99 n ASN 390 Ca 0.02 -0.64 0.04 0.00 -0.03 0.00 0.00 54.58 53.97 3m99 n ASN 390 Cb 0.33 0.02 0.06 0.00 -0.61 0.00 0.00 39.78 39.58 3m99 n ASN 390 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3m99 n TYR 391 N -0.89 0.12 -3.03 3.10 4.02 -0.48 -5.00 117.16 115.00 3m99 n TYR 391 Ca 0.12 -0.18 -0.28 0.00 -0.01 0.00 0.00 57.90 57.56 3m99 n TYR 391 Cb 0.31 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.60 3m99 n TYR 391 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3m99 n SER 393 N -1.51 5.59 0.00 0.00 7.64 -0.59 -4.78 113.62 119.97 3m99 n SER 393 Ca -0.00 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.21 3m99 n SER 393 Cb 0.55 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 3m99 n SER 393 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3m99 n VAL 406 N 1.91 0.00 -2.57 0.44 0.31 -1.25 -5.00 118.33 112.17 3m99 n VAL 406 Ca 0.39 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.31 3m99 n VAL 406 Cb 0.77 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.67 3m99 n VAL 406 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3m99 s PRO 407 N -1.98 4.56 -0.17 5.55 0.04 -1.26 -4.95 135.00 136.79 3m99 s PRO 407 Ca 0.00 1.62 -0.42 0.00 0.04 0.00 0.00 61.00 62.23 3m99 s PRO 407 Cb 0.00 -3.36 -0.20 0.00 0.04 0.00 0.00 34.50 30.99 3m99 s PRO 407 CO 0.00 -0.03 1.30 -0.25 0.04 0.00 0.00 177.00 178.06 3m99 n ASP 408 N 3.27 0.65 -3.82 6.66 8.00 -1.26 -4.63 116.55 125.41 3m99 n ASP 408 Ca 0.05 1.16 -0.30 0.00 0.71 0.00 0.00 54.79 56.42 3m99 n ASP 408 Cb 0.48 -0.94 -0.16 0.00 -0.02 0.00 0.00 41.12 40.48 3m99 n ASP 408 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3m99 s ILE 409 N 1.20 1.12 -0.12 0.53 1.01 -1.26 -0.37 121.20 123.31 3m99 s ILE 409 Ca 0.95 -1.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 3m99 s ILE 409 Cb -1.31 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 3m99 s ILE 409 CO 0.65 -0.38 -0.06 -0.63 0.00 0.00 0.00 174.94 174.52 3m99 s ILE 410 N 1.54 3.72 0.29 2.92 1.01 0.59 -1.85 121.20 129.42 3m99 s ILE 410 Ca 0.02 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.32 3m99 s ILE 410 Cb -0.18 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3m99 s ILE 410 CO -0.14 0.54 0.12 -0.31 0.00 0.00 0.00 174.94 175.16 3m99 s TYR 411 N -0.09 2.83 -0.10 3.97 1.51 0.94 -1.19 117.35 125.22 3m99 s TYR 411 Ca 0.01 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 3m99 s TYR 411 Cb -0.13 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 3m99 s TYR 411 CO 0.03 0.47 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.73 3m99 s GLU 412 N -3.80 3.02 -0.09 -0.62 2.12 0.40 -1.61 118.70 118.11 3m99 s GLU 412 Ca 0.35 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 3m99 s GLU 412 Cb -0.06 -2.39 -0.06 0.00 0.26 0.00 0.00 34.13 31.89 3m99 s GLU 412 CO 0.23 0.26 1.81 -1.17 -0.54 0.00 0.00 175.26 175.85 3m99 s LEU 413 N 0.17 4.13 -0.11 2.70 2.96 -0.86 -1.87 118.68 125.80 3m99 s LEU 413 Ca -0.11 2.16 0.04 0.00 -0.22 0.00 0.00 54.13 56.00 3m99 s LEU 413 Cb -0.16 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 3m99 s LEU 413 CO 0.06 -1.19 -0.05 -0.38 -1.32 0.00 0.00 176.35 173.48 3m99 n ILE 414 N 6.04 0.70 -3.80 6.68 2.08 0.82 -4.84 119.36 127.05 3m99 n ILE 414 Ca 0.20 -0.34 -0.12 0.00 0.56 0.00 0.00 62.75 63.05 3m99 n ILE 414 Cb 0.43 -0.85 -0.10 0.00 -0.75 0.00 0.00 39.64 38.37 3m99 n ILE 414 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3m99 s GLY 415 N -4.76 -0.10 -0.02 7.39 0.00 -1.01 -1.15 107.32 107.68 3m99 s GLY 415 Ca -0.11 0.29 -0.00 0.00 0.00 0.00 0.00 44.72 44.90 3m99 s GLY 415 CO 0.34 0.14 0.03 -0.42 0.00 0.00 0.00 173.10 173.19 3m99 s ILE 416 N -0.94 -0.04 -0.22 0.90 1.01 0.97 -1.06 121.20 121.83 3m99 s ILE 416 Ca -0.10 0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.70 3m99 s ILE 416 Cb -0.05 -0.08 0.02 0.00 0.01 0.00 0.00 42.46 42.37 3m99 s ILE 416 CO 0.02 0.07 -0.12 -0.69 0.00 0.00 0.00 174.94 174.22 3m99 s VAL 417 N 0.80 2.53 -0.02 2.92 1.01 -0.83 0.46 120.40 127.28 3m99 s VAL 417 Ca -0.07 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 3m99 s VAL 417 Cb -0.09 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3m99 s VAL 417 CO -0.02 0.35 0.05 -0.94 0.00 0.00 0.00 175.10 174.53 3m99 s SER 418 N 1.31 5.51 -0.10 3.32 1.04 -0.14 -0.75 113.70 123.89 3m99 s SER 418 Ca 0.02 0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.54 3m99 s SER 418 Cb -0.15 -1.55 -0.03 0.00 0.10 0.00 0.00 66.02 64.38 3m99 s SER 418 CO -0.08 0.29 0.02 -2.28 0.98 0.00 0.00 173.24 172.18 3m99 s HIS 419 N -1.12 3.23 0.02 5.02 2.46 -1.22 -1.74 115.29 121.94 3m99 s HIS 419 Ca 0.21 0.23 0.02 0.00 0.47 0.00 0.00 55.06 55.98 3m99 s HIS 419 Cb -0.12 -1.83 -0.01 0.00 -0.13 0.00 0.00 32.58 30.49 3m99 s HIS 419 CO 0.11 0.48 -0.08 0.15 -2.47 0.00 0.00 174.74 172.94 3m99 s LYS 420 N -0.82 0.56 0.00 2.88 1.02 -0.70 -4.85 119.74 117.83 3m99 s LYS 420 Ca 0.13 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.66 3m99 s LYS 420 Cb -0.12 -0.47 0.00 0.00 -0.52 0.00 0.00 37.83 36.72 3m99 s LYS 420 CO 0.02 0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 3m99 n GLY 421 N 2.33 -1.20 3.90 -3.33 0.00 -1.26 -1.01 105.19 104.62 3m99 n GLY 421 Ca -0.17 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 3m99 n GLY 421 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m99 s THR 422 N 0.00 4.92 0.02 2.61 -4.23 -1.26 -4.96 115.64 112.74 3m99 s THR 422 Ca 0.00 0.26 -0.05 0.00 -1.18 0.00 0.00 61.69 60.72 3m99 s THR 422 Cb 0.00 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 3m99 s THR 422 CO 0.00 -0.51 1.09 0.58 -0.54 0.00 0.00 174.62 175.24 3m99 h VAL 423 N 1.02 0.00 0.00 2.29 2.07 -1.91 -2.91 116.25 116.81 3m99 h VAL 423 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3m99 h VAL 423 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3m99 h VAL 423 CO 0.64 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.82 3m99 n ASN 424 N -3.24 0.55 -3.19 0.57 3.02 -1.26 -4.24 115.26 107.47 3m99 n ASN 424 Ca -0.00 0.55 -0.22 0.00 -0.03 0.00 0.00 54.58 54.88 3m99 n ASN 424 Cb 0.05 -0.70 -0.05 0.00 -0.61 0.00 0.00 39.78 38.47 3m99 n ASN 424 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3m99 n GLU 425 N -2.01 1.25 0.00 3.52 1.02 -1.11 -4.83 120.64 118.48 3m99 n GLU 425 Ca 0.06 -3.59 0.00 0.00 -0.02 0.00 0.00 57.16 53.61 3m99 n GLU 425 Cb 0.40 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3m99 n GLU 425 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m99 n GLY 426 N 0.73 1.68 3.27 0.62 0.00 -1.14 -4.26 105.19 106.08 3m99 n GLY 426 Ca 0.24 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 3m99 n GLY 426 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3m99 s HIS 427 N 1.95 -0.65 -0.14 1.61 2.46 -0.18 -4.98 115.29 115.37 3m99 s HIS 427 Ca 0.00 1.34 -0.05 0.00 0.47 0.00 0.00 55.06 56.82 3m99 s HIS 427 Cb 0.00 0.27 -0.04 0.00 -0.13 0.00 0.00 32.58 32.68 3m99 s HIS 427 CO 0.00 -0.38 0.05 0.71 -2.47 0.00 0.00 174.74 172.65 3m99 s TYR 428 N 1.69 3.26 0.07 3.88 1.51 -1.26 -1.72 117.35 124.79 3m99 s TYR 428 Ca -0.08 0.15 0.09 0.00 -1.01 0.00 0.00 57.07 56.23 3m99 s TYR 428 Cb -0.09 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 3m99 s TYR 428 CO -0.13 0.33 -0.24 0.42 -1.11 0.00 0.00 175.55 174.82 3m99 s ILE 429 N -0.22 1.92 0.04 2.71 -1.09 -0.71 -4.79 121.20 119.07 3m99 s ILE 429 Ca 0.07 -1.41 0.06 0.00 -2.23 0.00 0.00 60.65 57.14 3m99 s ILE 429 Cb -0.12 -1.68 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 3m99 s ILE 429 CO 0.02 0.19 -0.14 0.00 -1.23 0.00 0.00 174.94 173.78 3m99 s ALA 430 N -0.90 2.75 -0.10 9.38 0.00 -1.20 -0.96 121.76 130.73 3m99 s ALA 430 Ca 0.10 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 3m99 s ALA 430 Cb -0.10 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.20 3m99 s ALA 430 CO 0.03 0.59 -0.06 -0.06 0.00 0.00 0.00 175.76 176.26 3m99 s PHE 431 N -0.99 1.30 0.02 0.00 0.40 0.17 -0.24 117.98 118.65 3m99 s PHE 431 Ca 0.16 -0.60 0.08 0.00 -0.60 0.00 0.00 56.93 55.97 3m99 s PHE 431 Cb -0.11 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 42.28 3m99 s PHE 431 CO 0.07 -0.45 -0.23 0.00 0.70 0.00 0.00 175.22 175.30 3m99 s LYS 433 N -0.97 4.03 0.18 0.00 2.20 -0.30 -1.19 119.74 123.69 3m99 s LYS 433 Ca 0.09 -0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.46 3m99 s LYS 433 Cb -0.09 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 3m99 s LYS 433 CO 0.01 0.12 0.15 0.42 -0.36 0.00 0.00 175.35 175.69 3m99 s ILE 434 N 0.85 4.52 0.12 5.43 -1.09 -0.74 -4.96 121.20 125.34 3m99 s ILE 434 Ca 0.06 -1.11 -0.35 0.00 -2.23 0.00 0.00 60.65 57.02 3m99 s ILE 434 Cb -0.13 -3.33 -0.16 0.00 -1.58 0.00 0.00 42.46 37.26 3m99 s ILE 434 CO 0.03 -0.15 1.27 -0.24 -1.23 0.00 0.00 174.94 174.62 3m99 n SER 435 N -0.49 1.54 0.00 3.58 2.88 -1.26 -2.07 113.62 117.80 3m99 n SER 435 Ca -0.08 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 3m99 n SER 435 Cb 0.55 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 3m99 n SER 435 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3m99 n GLY 436 N 2.32 2.45 0.15 0.46 0.00 -1.26 -4.58 105.19 104.72 3m99 n GLY 436 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3m99 n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m99 n GLY 437 N -0.95 0.84 3.71 -0.02 0.00 -0.88 -5.07 105.19 102.82 3m99 n GLY 437 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3m99 n GLY 437 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m99 s GLN 438 N -0.93 4.48 0.28 1.61 1.11 -1.24 -4.90 119.66 120.07 3m99 s GLN 438 Ca 0.00 1.16 -0.04 0.00 0.01 0.00 0.00 55.36 56.49 3m99 s GLN 438 Cb 0.00 -3.47 -0.05 0.00 -1.01 0.00 0.00 33.01 28.48 3m99 s GLN 438 CO 0.00 -0.05 0.54 -1.58 0.01 0.00 0.00 175.29 174.21 3m99 s TRP 439 N 1.10 3.48 -0.00 0.91 0.52 -1.26 -1.79 118.94 121.90 3m99 s TRP 439 Ca 0.45 0.60 0.02 0.00 0.02 0.00 0.00 56.10 57.18 3m99 s TRP 439 Cb -0.19 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.05 3m99 s TRP 439 CO 0.22 0.19 -0.06 -0.06 0.02 0.00 0.00 176.95 177.26 3m99 s PHE 440 N -2.07 0.56 -0.18 -1.98 0.40 -0.33 -3.19 117.98 111.18 3m99 s PHE 440 Ca 0.43 -0.14 -0.08 0.00 -0.60 0.00 0.00 56.93 56.54 3m99 s PHE 440 Cb -0.11 -0.36 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 3m99 s PHE 440 CO 0.30 -0.01 0.10 0.21 0.70 0.00 0.00 175.22 176.51 3m99 s LYS 441 N -0.28 4.00 -0.72 0.44 2.20 -0.48 -1.80 119.74 123.11 3m99 s LYS 441 Ca 0.01 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 3m99 s LYS 441 Cb -0.03 -3.29 0.18 0.00 -1.51 0.00 0.00 37.83 33.17 3m99 s LYS 441 CO -0.00 0.34 0.54 -0.06 -0.36 0.00 0.00 175.35 175.81 3m99 s PHE 442 N 0.20 3.57 0.00 4.03 0.40 0.67 -2.17 117.98 124.69 3m99 s PHE 442 Ca 0.07 -3.07 0.00 0.00 -0.60 0.00 0.00 56.93 53.33 3m99 s PHE 442 Cb -0.12 -3.02 0.00 0.00 0.51 0.00 0.00 43.02 40.40 3m99 s PHE 442 CO -0.00 -0.71 0.00 -1.71 0.70 0.00 0.00 175.22 173.50 3m99 n ASN 443 N 2.63 0.00 0.00 1.36 5.15 -1.07 -3.20 115.26 120.12 3m99 n ASN 443 Ca 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 3m99 n ASN 443 Cb 0.36 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.61 3m99 n ASN 443 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3m99 n ASP 444 N 0.00 0.00 -1.10 1.20 8.00 -1.26 -4.77 116.55 118.63 3m99 n ASP 444 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 3m99 n ASP 444 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 3m99 n ASP 444 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3m99 n SER 445 N -0.55 3.37 -4.26 -2.24 3.41 -1.19 -1.21 113.62 110.96 3m99 n SER 445 Ca 0.00 -1.97 -0.43 0.00 -0.26 0.00 0.00 58.87 56.21 3m99 n SER 445 Cb 0.00 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 3m99 n SER 445 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3m99 s MET 446 N -1.44 2.72 -0.10 4.33 -1.94 -1.26 -4.36 119.30 117.25 3m99 s MET 446 Ca 0.37 -1.73 -0.19 0.00 -1.71 0.00 0.00 55.69 52.43 3m99 s MET 446 Cb 0.22 -4.10 -0.04 0.00 2.01 0.00 0.00 34.83 32.91 3m99 s MET 446 CO 0.30 -1.25 0.50 0.08 -0.01 0.00 0.00 175.02 174.63 3m99 s VAL 447 N 1.47 5.15 -0.19 -6.03 1.01 -1.26 -2.59 120.40 117.97 3m99 s VAL 447 Ca 0.04 1.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.86 3m99 s VAL 447 Cb -0.28 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.32 3m99 s VAL 447 CO 0.01 0.34 0.49 -0.94 0.00 0.00 0.00 175.10 175.00 3m99 s SER 448 N 0.51 -0.53 0.75 3.32 1.04 -0.92 -5.00 113.70 112.87 3m99 s SER 448 Ca 0.27 1.00 -0.13 0.00 0.48 0.00 0.00 55.95 57.57 3m99 s SER 448 Cb -0.16 1.00 0.05 0.00 0.10 0.00 0.00 66.02 67.01 3m99 s SER 448 CO 0.11 -0.18 1.14 -0.94 0.98 0.00 0.00 173.24 174.36 3m99 s SER 449 N 0.41 4.33 -0.25 7.02 1.04 -1.26 -1.38 113.70 123.61 3m99 s SER 449 Ca -0.01 2.11 -0.23 0.00 0.48 0.00 0.00 55.95 58.30 3m99 s SER 449 Cb -0.04 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.59 3m99 s SER 449 CO -0.01 -2.16 0.66 -0.51 0.98 0.00 0.00 173.24 172.20 3m99 s ILE 450 N -2.40 -0.00 0.53 -1.02 2.07 -1.19 -4.80 121.20 114.39 3m99 s ILE 450 Ca 0.68 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.71 3m99 s ILE 450 Cb -0.23 -0.93 -0.05 0.00 0.13 0.00 0.00 42.46 41.38 3m99 s ILE 450 CO 0.48 0.00 1.27 -0.94 -1.91 0.00 0.00 174.94 173.84 3m99 s SER 451 N 0.43 5.49 0.28 4.50 1.04 -1.26 -4.12 113.70 120.05 3m99 s SER 451 Ca -0.01 2.55 -0.01 0.00 0.48 0.00 0.00 55.95 58.97 3m99 s SER 451 Cb -0.05 -2.62 0.47 0.00 0.10 0.00 0.00 66.02 63.93 3m99 s SER 451 CO -0.00 -1.40 1.87 -0.61 0.98 0.00 0.00 173.24 174.08 3m99 h GLN 452 N 1.49 1.07 -0.62 4.02 4.15 -1.96 -1.98 115.11 121.28 3m99 h GLN 452 Ca -0.50 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 58.93 3m99 h GLN 452 Cb 1.29 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 28.70 3m99 h GLN 452 CO 0.58 0.71 0.41 1.49 -1.93 0.00 0.00 178.83 180.08 3m99 h GLU 453 N 1.10 0.51 0.00 1.69 4.81 -1.99 -1.63 114.58 119.08 3m99 h GLU 453 Ca 0.45 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.53 3m99 h GLU 453 Cb 0.28 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3m99 h GLU 453 CO -0.20 0.34 -0.75 1.49 -0.73 0.00 0.00 179.01 179.16 3m99 h GLU 454 N 0.53 0.00 0.00 1.92 4.81 -1.74 -3.12 114.58 116.98 3m99 h GLU 454 Ca 0.28 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.44 3m99 h GLU 454 Cb 0.40 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3m99 h GLU 454 CO -0.08 0.44 -0.31 0.28 -0.73 0.00 0.00 179.01 178.61 3m99 h VAL 455 N 0.00 0.72 -0.00 0.32 2.07 -0.93 -3.13 116.25 115.30 3m99 h VAL 455 Ca -0.04 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3m99 h VAL 455 Cb 1.43 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3m99 h VAL 455 CO 0.06 0.31 -0.01 0.18 0.02 0.00 0.00 177.57 178.13 3m99 n LEU 456 N -3.43 0.18 -2.61 2.57 4.77 -0.74 -4.01 117.00 113.73 3m99 n LEU 456 Ca 0.00 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 3m99 n LEU 456 Cb 0.50 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3m99 n LEU 456 CO 0.36 0.03 0.53 0.29 -1.33 0.00 0.00 177.39 177.27 3m99 n LYS 457 N -0.95 3.28 -4.21 3.23 5.02 -1.18 -4.79 118.16 118.55 3m99 n LYS 457 Ca 0.20 -4.28 -0.17 0.00 -2.02 0.00 0.00 58.31 52.05 3m99 n LYS 457 Cb 0.18 -2.26 -0.11 0.00 -0.02 0.00 0.00 35.03 32.82 3m99 n LYS 457 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3m99 s GLU 458 N -3.68 0.95 -0.76 1.97 2.02 -1.26 -5.06 118.70 112.88 3m99 s GLU 458 Ca 0.49 -1.17 -0.26 0.00 0.02 0.00 0.00 54.97 54.05 3m99 s GLU 458 Cb 0.41 -0.80 -0.07 0.00 0.10 0.00 0.00 34.13 33.76 3m99 s GLU 458 CO -0.24 0.15 2.12 -1.14 0.02 0.00 0.00 175.26 176.17 3m99 s GLN 459 N -2.54 2.24 -0.38 1.61 2.00 -1.26 -4.63 119.66 116.69 3m99 s GLN 459 Ca 0.06 0.34 -0.27 0.00 -2.00 0.00 0.00 55.36 53.49 3m99 s GLN 459 Cb -0.05 -4.79 0.02 0.00 0.80 0.00 0.00 33.01 28.99 3m99 s GLN 459 CO 0.02 -3.54 1.01 0.00 -0.50 0.00 0.00 175.29 172.28 3m99 s ALA 460 N 11.49 3.38 -0.20 1.58 0.00 -1.26 -3.37 121.76 133.38 3m99 s ALA 460 Ca 0.79 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 3m99 s ALA 460 Cb -0.11 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 3m99 s ALA 460 CO 0.10 -1.71 -0.23 0.98 0.00 0.00 0.00 175.76 174.89 3m99 n TYR 461 N 7.02 0.36 -4.45 0.00 9.36 0.07 -4.68 117.16 124.85 3m99 n TYR 461 Ca 0.09 0.16 -0.31 0.00 3.32 0.00 0.00 57.90 61.16 3m99 n TYR 461 Cb 0.48 -0.78 -0.11 0.00 -0.63 0.00 0.00 39.34 38.31 3m99 n TYR 461 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 3m99 s LEU 462 N -7.88 2.99 -0.04 2.98 1.43 -0.25 -0.53 118.68 117.39 3m99 s LEU 462 Ca -0.28 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3m99 s LEU 462 Cb 0.07 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 3m99 s LEU 462 CO 0.42 0.25 -0.14 -0.76 0.23 0.00 0.00 176.35 176.35 3m99 s LEU 463 N -1.65 1.86 -0.20 1.79 1.43 0.42 -1.96 118.68 120.37 3m99 s LEU 463 Ca 0.18 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3m99 s LEU 463 Cb -0.11 -0.79 0.04 0.00 0.03 0.00 0.00 46.19 45.36 3m99 s LEU 463 CO 0.09 0.11 -0.15 -0.36 0.23 0.00 0.00 176.35 176.27 3m99 s PHE 464 N 0.11 2.76 -0.14 0.29 0.40 -0.22 -0.58 117.98 120.60 3m99 s PHE 464 Ca -0.03 -1.77 0.02 0.00 -0.60 0.00 0.00 56.93 54.54 3m99 s PHE 464 Cb -0.10 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.60 3m99 s PHE 464 CO 0.01 -0.80 -0.19 0.71 0.70 0.00 0.00 175.22 175.66 3m99 s TYR 465 N 1.28 2.71 0.04 0.36 1.51 -0.87 -0.12 117.35 122.26 3m99 s TYR 465 Ca -0.00 -1.12 -0.08 0.00 -1.01 0.00 0.00 57.07 54.86 3m99 s TYR 465 Cb -0.16 -1.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.81 3m99 s TYR 465 CO -0.10 -0.49 0.33 0.95 -1.11 0.00 0.00 175.55 175.12 3m99 s THR 466 N 0.71 5.21 0.43 -0.71 -4.23 -0.78 0.10 115.64 116.37 3m99 s THR 466 Ca -0.08 0.28 -0.25 0.00 -1.18 0.00 0.00 61.69 60.46 3m99 s THR 466 Cb -0.16 -3.60 -0.08 0.00 1.34 0.00 0.00 72.50 70.00 3m99 s THR 466 CO 0.01 0.32 1.27 -0.51 -0.54 0.00 0.00 174.62 175.18 3m99 s ILE 467 N -1.35 2.69 0.00 2.99 1.10 0.34 -0.46 121.20 126.51 3m99 s ILE 467 Ca 0.30 0.58 0.00 0.00 -0.51 0.00 0.00 60.65 61.02 3m99 s ILE 467 Cb -0.13 -3.33 0.00 0.00 0.15 0.00 0.00 42.46 39.15 3m99 s ILE 467 CO 0.17 0.06 0.00 -1.14 -2.11 0.00 0.00 174.94 171.92 3m99 n ARG 468 N -0.13 0.00 -3.82 3.50 0.63 -0.33 -4.79 116.66 111.72 3m99 n ARG 468 Ca 0.05 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.75 3m99 n ARG 468 Cb 0.45 -0.31 -0.17 0.00 0.45 0.00 0.00 32.46 32.88 3m99 n ARG 468 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3m99 s GLN 469 N -1.78 0.72 -0.27 -0.14 0.74 -0.69 -5.00 119.66 113.24 3m99 s GLN 469 Ca 0.00 0.05 -0.05 0.00 0.05 0.00 0.00 55.36 55.41 3m99 s GLN 469 Cb 0.00 -1.01 0.01 0.00 1.10 0.00 0.00 33.01 33.10 3m99 s GLN 469 CO 0.00 -0.28 0.03 0.08 -0.55 0.00 0.00 175.29 174.58 3m99 s VAL 470 N 1.83 3.70 0.00 1.34 1.01 -1.26 -0.30 120.40 126.71 3m99 s VAL 470 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3m99 s VAL 470 Cb -0.12 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.40 3m99 s VAL 470 CO -0.05 0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.82