#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xvd n GLY 5 N 0.00 -0.61 0.41 -3.96 0.00 -0.46 -4.84 105.19 95.73 1xvd n GLY 5 Ca 0.00 0.45 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 1xvd n GLY 5 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xvd h ILE 6 N 0.00 0.17 0.00 -0.61 2.04 -2.01 -3.39 117.51 113.70 1xvd h ILE 6 Ca 0.00 -0.17 -0.23 0.00 1.00 0.00 0.00 64.86 65.46 1xvd h ILE 6 Cb 0.00 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 1xvd h ILE 6 CO 0.00 0.01 -2.10 1.41 0.00 0.00 0.00 178.15 177.47 1xvd n HIS 7 N -5.47 0.00 -3.81 1.37 8.25 -1.26 -4.91 115.22 109.39 1xvd n HIS 7 Ca -0.13 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.07 1xvd n HIS 7 Cb 0.41 -0.74 -0.17 0.00 1.12 0.00 0.00 29.99 30.61 1xvd n HIS 7 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xvd s SER 8 N -4.88 2.34 0.07 0.41 0.15 -1.26 -5.07 113.70 105.46 1xvd s SER 8 Ca -0.08 -0.46 -0.14 0.00 0.70 0.00 0.00 55.95 55.96 1xvd s SER 8 Cb 0.07 -0.65 0.02 0.00 -1.71 0.00 0.00 66.02 63.76 1xvd s SER 8 CO 0.73 -0.21 0.33 0.54 1.20 0.00 0.00 173.24 175.83 1xvd s ASN 9 N 1.83 -0.14 0.22 5.45 2.20 -1.26 -1.36 114.94 121.87 1xvd s ASN 9 Ca 0.02 -0.27 -0.14 0.00 -0.94 0.00 0.00 52.86 51.53 1xvd s ASN 9 Cb -0.14 0.40 0.25 0.00 -2.00 0.00 0.00 41.25 39.76 1xvd s ASN 9 CO -0.07 -0.71 1.60 0.44 -2.94 0.00 0.00 177.10 175.42 1xvd h ASP 10 N 2.87 -0.82 -0.79 3.54 3.32 -1.95 -1.09 116.42 121.50 1xvd h ASP 10 Ca -0.33 0.22 0.04 0.00 0.02 0.00 0.00 57.03 56.99 1xvd h ASP 10 Cb 1.22 0.49 -0.05 0.00 0.22 0.00 0.00 39.33 41.21 1xvd h ASP 10 CO 0.47 -0.26 0.50 0.00 -1.72 0.00 0.00 179.24 178.24 1xvd h THR 11 N -0.04 1.10 -0.68 0.35 1.03 -1.99 -0.58 112.91 112.11 1xvd h THR 11 Ca 0.32 -0.33 -0.07 0.00 -0.01 0.00 0.00 66.41 66.32 1xvd h THR 11 Cb 0.54 0.05 -0.03 0.00 -1.07 0.00 0.00 68.15 67.64 1xvd h THR 11 CO -0.74 0.18 0.15 0.03 -0.01 0.00 0.00 175.52 175.12 1xvd h ARG 12 N 0.97 1.09 -0.62 0.00 3.08 -1.65 -2.62 114.38 114.61 1xvd h ARG 12 Ca 0.32 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1xvd h ARG 12 Cb 0.04 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1xvd h ARG 12 CO -0.12 0.97 0.36 -0.44 -1.07 0.00 0.00 179.97 179.66 1xvd h ASP 13 N 1.03 0.76 -0.97 7.04 3.32 -0.65 -2.27 116.42 124.69 1xvd h ASP 13 Ca 0.21 -0.08 0.20 0.00 0.02 0.00 0.00 57.03 57.39 1xvd h ASP 13 Cb 0.38 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 39.65 1xvd h ASP 13 CO 0.00 0.62 0.62 0.00 -1.72 0.00 0.00 179.24 178.76 1xvd h ALA 14 N 1.18 1.94 0.00 3.45 0.00 -0.74 -0.38 119.26 124.71 1xvd h ALA 14 Ca 0.22 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1xvd h ALA 14 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xvd h ALA 14 CO -0.04 -0.28 -0.29 -1.49 0.00 0.00 0.00 179.25 177.15 1xvd h TRP 15 N 0.59 0.00 -0.11 0.00 4.06 -1.31 -2.33 115.95 116.85 1xvd h TRP 15 Ca 0.54 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.36 1xvd h TRP 15 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.21 1xvd h TRP 15 CO -0.00 0.10 -0.51 -0.39 -3.56 0.00 0.00 178.44 174.09 1xvd h VAL 16 N 0.00 1.34 0.06 1.49 -1.51 -0.72 -1.33 116.25 115.58 1xvd h VAL 16 Ca -0.01 -1.75 -0.21 0.00 -1.23 0.00 0.00 66.70 63.50 1xvd h VAL 16 Cb 1.08 1.82 0.02 0.00 -2.13 0.00 0.00 31.29 32.08 1xvd h VAL 16 CO 0.01 0.52 -0.88 0.78 -1.23 0.00 0.00 177.57 176.78 1xvd h ASN 17 N 0.23 0.67 -0.01 4.19 2.35 -1.49 -2.81 115.58 118.71 1xvd h ASN 17 Ca 0.01 -0.81 -0.01 0.00 -0.55 0.00 0.00 56.30 54.94 1xvd h ASN 17 Cb 0.97 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 1xvd h ASN 17 CO 0.08 1.40 -0.02 0.50 -1.65 0.00 0.00 177.43 177.75 1xvd h LYS 18 N 0.02 0.08 0.00 0.81 3.64 -1.30 -2.04 116.57 117.78 1xvd h LYS 18 Ca -0.13 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 1xvd h LYS 18 Cb 1.59 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 1xvd h LYS 18 CO 0.17 0.11 -0.77 -0.84 -2.27 0.00 0.00 179.45 175.85 1xvd h ILE 19 N 0.09 0.50 0.00 2.00 -0.00 -1.28 -3.30 117.51 115.51 1xvd h ILE 19 Ca 0.02 -1.79 -0.08 0.00 -0.00 0.00 0.00 64.86 63.01 1xvd h ILE 19 Cb 0.09 2.11 -0.01 0.00 -0.00 0.00 0.00 36.82 39.01 1xvd h ILE 19 CO 0.00 0.28 -0.37 0.00 -0.00 0.00 0.00 178.15 178.07 1xvd h ALA 20 N 1.63 1.24 0.00 0.16 0.00 -1.10 -2.35 119.26 118.83 1xvd h ALA 20 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xvd h ALA 20 Cb 1.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xvd h ALA 20 CO 0.04 0.46 0.00 1.04 0.00 0.00 0.00 179.25 180.79 1xvd n GLN 21 N -3.88 0.42 -2.94 0.00 1.13 -1.15 -4.67 117.38 106.28 1xvd n GLN 21 Ca -0.01 0.05 -0.43 0.00 -1.94 0.00 0.00 57.00 54.66 1xvd n GLN 21 Cb 0.43 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.23 1xvd n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xvd s LEU 22 N -2.49 4.19 -0.40 1.08 1.43 -0.89 -4.91 118.68 116.69 1xvd s LEU 22 Ca 0.25 0.04 0.12 0.00 -1.03 0.00 0.00 54.13 53.51 1xvd s LEU 22 Cb 0.17 -3.01 0.40 0.00 0.03 0.00 0.00 46.19 43.78 1xvd s LEU 22 CO 0.36 -0.89 0.91 -0.46 0.23 0.00 0.00 176.35 176.51 1xvd n ASN 23 N 6.70 2.38 -3.45 2.29 2.04 -1.26 -4.98 115.26 118.98 1xvd n ASN 23 Ca 0.03 -3.16 0.01 0.00 -0.44 0.00 0.00 54.58 51.02 1xvd n ASN 23 Cb 0.48 -0.55 -0.03 0.00 -2.53 0.00 0.00 39.78 37.15 1xvd n ASN 23 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1xvd s THR 24 N -3.59 -0.78 0.40 5.53 2.01 -1.26 -5.02 115.64 112.94 1xvd s THR 24 Ca 0.39 0.00 0.18 0.00 0.31 0.00 0.00 61.69 62.56 1xvd s THR 24 Cb 0.38 -1.00 0.38 0.00 0.01 0.00 0.00 72.50 72.28 1xvd s THR 24 CO -0.07 0.00 1.81 0.25 -0.69 0.00 0.00 174.62 175.92 1xvd h LEU 25 N 7.83 0.44 0.64 4.42 5.85 -1.95 -0.99 115.31 131.55 1xvd h LEU 25 Ca -0.18 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1xvd h LEU 25 Cb 1.12 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.14 1xvd h LEU 25 CO 0.10 0.14 -0.31 -0.08 -0.34 0.00 0.00 178.44 177.95 1xvd h GLU 26 N 0.42 -0.83 0.23 1.25 4.81 -1.95 -1.26 114.58 117.24 1xvd h GLU 26 Ca 0.53 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.83 1xvd h GLU 26 Cb 1.32 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.85 1xvd h GLU 26 CO -0.24 -0.55 -0.48 0.87 -0.73 0.00 0.00 179.01 177.89 1xvd h LYS 27 N -0.88 -0.75 -0.26 1.92 1.57 -1.78 -1.01 116.57 115.37 1xvd h LYS 27 Ca -0.09 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1xvd h LYS 27 Cb 0.66 0.17 -0.07 0.00 0.08 0.00 0.00 32.23 33.07 1xvd h LYS 27 CO 0.14 -0.50 -0.26 0.00 -0.57 0.00 0.00 179.45 178.26 1xvd h ALA 28 N -0.47 -0.15 -0.85 3.86 0.00 -1.30 0.23 119.26 120.59 1xvd h ALA 28 Ca -0.01 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1xvd h ALA 28 Cb 0.76 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1xvd h ALA 28 CO -0.21 -0.69 0.55 0.00 0.00 0.00 0.00 179.25 178.91 1xvd h ALA 29 N 0.77 1.82 0.16 0.00 0.00 -1.04 -0.35 119.26 120.63 1xvd h ALA 29 Ca 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xvd h ALA 29 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xvd h ALA 29 CO -0.41 -0.03 -0.08 1.49 0.00 0.00 0.00 179.25 180.22 1xvd h GLU 30 N 0.69 -0.21 -0.53 0.00 4.57 0.35 -2.49 114.58 116.95 1xvd h GLU 30 Ca 0.41 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.69 1xvd h GLU 30 Cb 0.62 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.19 1xvd h GLU 30 CO -0.17 0.17 0.16 1.98 -1.18 0.00 0.00 179.01 179.97 1xvd h MET 31 N -0.64 0.32 0.03 1.92 4.05 0.15 -0.27 114.93 120.48 1xvd h MET 31 Ca -0.02 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1xvd h MET 31 Cb 0.47 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 1xvd h MET 31 CO 0.04 0.21 -0.18 1.25 0.23 0.00 0.00 176.91 178.45 1xvd h LEU 32 N 0.32 -0.53 -0.53 3.39 5.85 -1.13 0.58 115.31 123.27 1xvd h LEU 32 Ca 0.26 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.16 1xvd h LEU 32 Cb 0.32 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.47 1xvd h LEU 32 CO -0.29 -0.25 -0.08 0.50 -0.34 0.00 0.00 178.44 177.97 1xvd h LYS 33 N -0.32 0.04 -0.43 1.25 1.63 -0.85 0.78 116.57 118.67 1xvd h LYS 33 Ca 0.05 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.78 1xvd h LYS 33 Cb 0.37 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1xvd h LYS 33 CO -0.15 0.02 0.03 0.37 -3.45 0.00 0.00 179.45 176.28 1xvd h GLN 34 N 0.04 0.74 -0.37 1.90 5.75 -0.50 -2.50 115.11 120.16 1xvd h GLN 34 Ca 0.26 -0.22 0.06 0.00 -0.15 0.00 0.00 58.65 58.60 1xvd h GLN 34 Cb 0.41 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.83 1xvd h GLN 34 CO -0.51 0.79 0.05 0.35 -2.65 0.00 0.00 178.83 176.86 1xvd h PHE 35 N 0.58 0.07 -0.01 3.99 3.57 0.15 0.20 116.94 125.49 1xvd h PHE 35 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1xvd h PHE 35 Cb 0.44 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1xvd h PHE 35 CO 0.03 -0.01 -0.18 0.00 -2.23 0.00 0.00 178.31 175.92 1xvd h ARG 36 N 0.16 0.02 0.00 1.11 3.08 -0.80 0.13 114.38 118.08 1xvd h ARG 36 Ca 0.18 -0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.03 1xvd h ARG 36 Cb 0.22 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1xvd h ARG 36 CO -0.26 0.20 -0.86 0.52 -1.07 0.00 0.00 179.97 178.51 1xvd h MET 37 N 0.02 0.15 0.10 0.04 2.86 -0.76 -2.73 114.93 114.61 1xvd h MET 37 Ca 0.00 -0.16 -0.28 0.00 -2.06 0.00 0.00 59.70 57.20 1xvd h MET 37 Cb 0.33 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1xvd h MET 37 CO 0.02 0.91 -1.31 -0.44 1.06 0.00 0.00 176.91 177.16 1xvd h ASP 38 N 0.08 0.34 0.00 1.22 3.32 0.39 -2.73 116.42 119.05 1xvd h ASP 38 Ca -0.03 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1xvd h ASP 38 Cb 1.48 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1xvd h ASP 38 CO 0.13 1.32 0.00 1.41 -1.72 0.00 0.00 179.24 180.38 1xvd n HIS 39 N -3.47 0.00 -4.25 4.55 8.25 0.35 -2.14 115.22 118.52 1xvd n HIS 39 Ca -0.10 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.10 1xvd n HIS 39 Cb 1.02 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 32.05 1xvd n HIS 39 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1xvd s THR 40 N -0.02 3.51 0.32 1.59 -4.23 -1.03 -4.87 115.64 110.90 1xvd s THR 40 Ca 0.00 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1xvd s THR 40 Cb 0.00 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1xvd s THR 40 CO 0.00 -0.16 0.00 0.35 -0.54 0.00 0.00 174.62 174.27 1xvd n THR 41 N -0.22 -0.42 0.27 3.99 -2.24 -1.26 -3.10 114.28 111.29 1xvd n THR 41 Ca -0.09 0.46 0.18 0.00 -2.27 0.00 0.00 64.05 62.33 1xvd n THR 41 Cb 0.56 -0.72 0.93 0.00 -2.10 0.00 0.00 70.33 69.01 1xvd n THR 41 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1xvd h PRO 42 N -0.74 0.00 -0.46 -0.78 0.11 -2.00 -1.29 132.00 126.84 1xvd h PRO 42 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1xvd h PRO 42 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1xvd h PRO 42 CO 0.04 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.02 1xvd n PHE 43 N -2.72 0.61 -1.18 0.65 3.72 -1.26 -4.98 117.46 112.30 1xvd n PHE 43 Ca -0.02 -0.30 -0.36 0.00 -0.05 0.00 0.00 57.45 56.72 1xvd n PHE 43 Cb 0.06 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.68 1xvd n PHE 43 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1xvd n ARG 44 N 0.95 0.20 0.24 -1.08 1.85 -0.49 -4.86 116.66 113.47 1xvd n ARG 44 Ca 0.17 0.11 0.11 0.00 -1.00 0.00 0.00 57.85 57.24 1xvd n ARG 44 Cb 0.43 -1.83 0.59 0.00 -1.05 0.00 0.00 32.46 30.60 1xvd n ARG 44 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1xvd h ASN 45 N -0.59 0.00 -5.10 2.89 -0.26 -1.10 -3.46 115.58 107.96 1xvd h ASN 45 Ca -0.45 0.00 0.19 0.00 -0.56 0.00 0.00 56.30 55.48 1xvd h ASN 45 Cb 1.34 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.48 1xvd h ASN 45 CO 0.41 0.18 0.58 -0.94 -1.06 0.00 0.00 177.43 176.60 1xvd s SER 46 N -6.16 -0.21 -0.11 5.81 1.04 -1.07 -5.05 113.70 107.95 1xvd s SER 46 Ca -0.01 -0.20 0.15 0.00 0.48 0.00 0.00 55.95 56.36 1xvd s SER 46 Cb 0.12 0.37 0.48 0.00 0.10 0.00 0.00 66.02 67.08 1xvd s SER 46 CO 0.61 -0.65 1.39 -1.22 0.98 0.00 0.00 173.24 174.36 1xvd n TYR 47 N -0.37 0.86 0.26 5.02 4.02 -1.26 -4.56 117.16 121.13 1xvd n TYR 47 Ca -0.07 -0.70 0.15 0.00 -0.01 0.00 0.00 57.90 57.28 1xvd n TYR 47 Cb 0.61 -0.21 0.87 0.00 -0.02 0.00 0.00 39.34 40.59 1xvd n TYR 47 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1xvd h GLU 48 N 2.21 0.00 -0.42 -0.72 4.11 -1.97 -1.99 114.58 115.81 1xvd h GLU 48 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xvd h GLU 48 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1xvd h GLU 48 CO 0.15 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.51 1xvd n LEU 49 N -3.88 3.14 -0.26 3.06 4.77 -1.26 -4.76 117.00 117.82 1xvd n LEU 49 Ca -0.01 -1.86 0.14 0.00 -0.03 0.00 0.00 56.01 54.25 1xvd n LEU 49 Cb 0.17 -0.28 0.27 0.00 -2.33 0.00 0.00 43.42 41.26 1xvd n LEU 49 CO 0.28 0.76 0.66 -0.67 -1.33 0.00 0.00 177.39 177.09 1xvd n ASP 50 N 0.90 -0.02 0.13 -1.43 2.03 -0.75 0.42 116.55 117.83 1xvd n ASP 50 Ca 0.15 1.31 0.13 0.00 0.52 0.00 0.00 54.79 56.90 1xvd n ASP 50 Cb 0.48 -0.51 0.43 0.00 -0.72 0.00 0.00 41.12 40.80 1xvd n ASP 50 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1xvd h ASN 51 N 0.00 0.00 0.00 1.67 2.35 -1.85 -3.36 115.58 114.39 1xvd h ASN 51 Ca 0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 1xvd h ASN 51 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1xvd h ASN 51 CO -0.70 0.00 -0.00 0.47 -1.65 0.00 0.00 177.43 175.55 1xvd n ASP 52 N -2.33 0.01 -0.27 5.81 8.00 0.17 -4.86 116.55 123.08 1xvd n ASP 52 Ca 0.04 -0.35 0.02 0.00 0.71 0.00 0.00 54.79 55.21 1xvd n ASP 52 Cb 0.36 0.71 0.15 0.00 -0.02 0.00 0.00 41.12 42.33 1xvd n ASP 52 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1xvd h TYR 53 N 0.00 0.76 -0.63 1.24 -0.00 -0.79 -0.27 116.97 117.29 1xvd h TYR 53 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 58.73 58.78 1xvd h TYR 53 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 36.73 36.47 1xvd h TYR 53 CO 0.00 0.30 0.40 -0.07 -0.00 0.00 0.00 178.16 178.79 1xvd h LEU 54 N 0.71 0.67 -0.19 0.10 3.38 -1.85 0.28 115.31 118.40 1xvd h LEU 54 Ca 0.37 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 1xvd h LEU 54 Cb 0.36 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1xvd h LEU 54 CO -0.25 0.48 -0.20 -0.25 0.09 0.00 0.00 178.44 178.31 1xvd h TRP 55 N 0.80 0.57 0.39 1.13 7.01 -1.81 -2.97 115.95 121.08 1xvd h TRP 55 Ca 0.24 -0.17 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1xvd h TRP 55 Cb -0.04 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 26.90 1xvd h TRP 55 CO -0.04 0.84 -0.22 0.82 -2.79 0.00 0.00 178.44 177.05 1xvd h ILE 56 N 0.14 0.55 -0.99 2.65 1.08 -0.79 -2.48 117.51 117.67 1xvd h ILE 56 Ca 0.03 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.75 1xvd h ILE 56 Cb 0.74 0.55 -0.13 0.00 -3.07 0.00 0.00 36.82 34.92 1xvd h ILE 56 CO 0.05 0.00 0.57 -0.08 -0.69 0.00 0.00 178.15 178.00 1xvd h GLU 57 N -0.57 0.53 -0.28 2.37 4.81 -0.50 -0.12 114.58 120.82 1xvd h GLU 57 Ca -0.05 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1xvd h GLU 57 Cb 0.45 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1xvd h GLU 57 CO 0.06 0.35 0.03 0.00 -0.73 0.00 0.00 179.01 178.72 1xvd h ALA 58 N 1.74 0.38 -0.07 2.92 0.00 -1.32 -1.08 119.26 121.83 1xvd h ALA 58 Ca 0.64 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.36 1xvd h ALA 58 Cb 1.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xvd h ALA 58 CO -0.49 0.09 0.09 0.87 0.00 0.00 0.00 179.25 179.81 1xvd h LYS 59 N 0.29 0.00 0.19 0.00 1.79 -0.59 -0.27 116.57 117.97 1xvd h LYS 59 Ca 0.08 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.24 1xvd h LYS 59 Cb 0.38 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1xvd h LYS 59 CO 0.01 0.00 -1.49 -0.07 -1.08 0.00 0.00 179.45 176.82 1xvd h LEU 60 N 0.00 0.63 -1.61 2.94 4.07 -0.98 -3.04 115.31 117.33 1xvd h LEU 60 Ca 0.03 -0.92 0.09 0.00 0.08 0.00 0.00 57.88 57.16 1xvd h LEU 60 Cb 0.22 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 1xvd h LEU 60 CO -0.00 1.69 0.40 -0.33 -1.08 0.00 0.00 178.44 179.11 1xvd h GLU 61 N -0.02 0.43 0.30 1.13 5.08 0.10 0.29 114.58 121.90 1xvd h GLU 61 Ca -0.28 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1xvd h GLU 61 Cb 2.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1xvd h GLU 61 CO 0.19 0.29 -0.14 0.93 -1.00 0.00 0.00 179.01 179.27 1xvd h GLU 62 N 0.45 -0.38 -0.62 2.33 5.08 -1.13 0.12 114.58 120.44 1xvd h GLU 62 Ca 0.27 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1xvd h GLU 62 Cb 0.47 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1xvd h GLU 62 CO -0.08 -0.18 0.31 -0.22 -1.00 0.00 0.00 179.01 177.84 1xvd h LYS 63 N -0.50 0.87 -0.42 2.33 1.63 -1.21 -1.58 116.57 117.70 1xvd h LYS 63 Ca -0.04 -0.12 -0.05 0.00 -0.85 0.00 0.00 60.65 59.59 1xvd h LYS 63 Cb 0.37 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1xvd h LYS 63 CO 0.07 0.69 0.04 0.28 -3.45 0.00 0.00 179.45 177.07 1xvd h VAL 64 N 0.84 1.21 0.23 2.00 2.07 -0.88 -2.49 116.25 119.23 1xvd h VAL 64 Ca 0.21 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1xvd h VAL 64 Cb 0.09 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1xvd h VAL 64 CO -0.03 0.29 -0.11 0.00 0.02 0.00 0.00 177.57 177.74 1xvd h ALA 65 N 1.42 -0.31 -0.79 1.67 0.00 -0.29 -1.65 119.26 119.32 1xvd h ALA 65 Ca 0.13 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.00 1xvd h ALA 65 Cb 0.33 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 1xvd h ALA 65 CO 0.01 -0.47 0.35 0.28 0.00 0.00 0.00 179.25 179.42 1xvd h VAL 66 N -0.72 0.67 0.25 0.00 2.07 -1.24 -1.79 116.25 115.49 1xvd h VAL 66 Ca -0.03 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1xvd h VAL 66 Cb 0.49 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1xvd h VAL 66 CO 0.05 0.09 -0.12 -0.07 0.02 0.00 0.00 177.57 177.55 1xvd h LEU 67 N 0.51 -0.28 -1.27 2.57 3.38 -1.48 -2.83 115.31 115.91 1xvd h LEU 67 Ca 0.44 -0.25 0.31 0.00 0.09 0.00 0.00 57.88 58.47 1xvd h LEU 67 Cb 0.66 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.36 1xvd h LEU 67 CO -0.39 0.18 0.68 0.50 0.09 0.00 0.00 178.44 179.50 1xvd h LYS 68 N -0.84 0.33 -0.10 1.13 3.64 -1.02 0.11 116.57 119.82 1xvd h LYS 68 Ca -0.03 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1xvd h LYS 68 Cb 0.51 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1xvd h LYS 68 CO 0.06 0.22 -0.06 0.00 -2.27 0.00 0.00 179.45 177.39 1xvd h ALA 69 N 1.67 0.15 0.00 5.00 0.00 -1.33 -0.10 119.26 124.65 1xvd h ALA 69 Ca 0.67 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1xvd h ALA 69 Cb 1.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1xvd h ALA 69 CO -0.40 -0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.33 1xvd n ARG 70 N -4.70 0.80 -0.01 0.00 1.74 0.22 -3.87 116.66 110.83 1xvd n ARG 70 Ca -0.07 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.98 1xvd n ARG 70 Cb 0.29 -1.25 -0.01 0.00 -1.02 0.00 0.00 32.46 30.47 1xvd n ARG 70 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xvd n ALA 71 N -0.75 2.79 -1.35 7.54 0.00 -0.32 -5.06 120.51 123.36 1xvd n ALA 71 Ca 0.09 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 1xvd n ALA 71 Cb 0.04 0.46 0.18 0.00 0.00 0.00 0.00 19.45 20.13 1xvd n ALA 71 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xvd n PHE 72 N -3.11 -3.83 -4.43 0.00 0.99 -0.07 -5.09 117.46 101.92 1xvd n PHE 72 Ca -0.06 -0.83 -0.21 0.00 -0.00 0.00 0.00 57.45 56.35 1xvd n PHE 72 Cb 0.54 -0.84 -0.10 0.00 -1.00 0.00 0.00 39.48 38.08 1xvd n PHE 72 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1xvd s ASN 73 N -4.23 2.58 0.00 4.37 2.20 -1.26 -4.90 114.94 113.69 1xvd s ASN 73 Ca 0.56 -1.25 0.00 0.00 -0.94 0.00 0.00 52.86 51.24 1xvd s ASN 73 Cb -0.04 -0.13 0.00 0.00 -2.00 0.00 0.00 41.25 39.08 1xvd s ASN 73 CO 0.41 -0.43 0.43 -0.62 -2.94 0.00 0.00 177.10 173.95 1xvd n GLU 74 N -0.60 0.00 -0.26 3.55 -0.58 -1.26 -0.41 120.64 121.09 1xvd n GLU 74 Ca -0.05 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 1xvd n GLU 74 Cb 0.64 -0.69 0.13 0.00 -0.57 0.00 0.00 31.44 30.95 1xvd n GLU 74 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1xvd h VAL 75 N 0.00 0.93 0.22 2.62 2.07 -2.00 -3.15 116.25 116.94 1xvd h VAL 75 Ca 0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1xvd h VAL 75 Cb 0.00 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1xvd h VAL 75 CO 0.00 0.13 -0.11 0.44 0.02 0.00 0.00 177.57 178.05 1xvd h ASP 76 N 0.71 -0.25 0.00 0.57 3.32 -1.50 -2.77 116.42 116.49 1xvd h ASP 76 Ca 0.34 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xvd h ASP 76 Cb 0.28 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1xvd h ASP 76 CO -0.22 0.07 0.50 0.15 -1.72 0.00 0.00 179.24 178.01 1xvd h PHE 77 N -0.59 0.00 0.00 4.55 3.04 -0.69 0.83 116.94 124.08 1xvd h PHE 77 Ca -0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1xvd h PHE 77 Cb 0.43 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1xvd h PHE 77 CO 0.02 0.00 -1.65 0.54 -2.02 0.00 0.00 178.31 175.20 1xvd n ARG 78 N -2.77 0.47 0.00 1.11 1.74 -1.13 -4.68 116.66 111.40 1xvd n ARG 78 Ca -0.01 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1xvd n ARG 78 Cb 0.53 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1xvd n ARG 78 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1xvd n HIS 79 N -2.00 0.00 -4.60 -1.55 8.25 0.61 -4.90 115.22 111.04 1xvd n HIS 79 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.11 1xvd n HIS 79 Cb 0.48 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.45 1xvd n HIS 79 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1xvd s LYS 80 N -0.21 3.43 1.13 -0.41 2.20 0.26 -0.77 119.74 125.37 1xvd s LYS 80 Ca 0.00 -0.65 -0.15 0.00 -0.36 0.00 0.00 55.97 54.81 1xvd s LYS 80 Cb 0.00 -2.72 0.25 0.00 -1.51 0.00 0.00 37.83 33.85 1xvd s LYS 80 CO 0.00 0.16 1.06 0.95 -0.36 0.00 0.00 175.35 177.17 1xvd s THR 81 N 0.50 1.85 -1.51 3.43 -4.23 0.13 -4.63 115.64 111.18 1xvd s THR 81 Ca -0.08 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.63 1xvd s THR 81 Cb -0.15 -2.35 0.38 0.00 1.34 0.00 0.00 72.50 71.72 1xvd s THR 81 CO 0.04 0.00 1.62 0.00 -0.54 0.00 0.00 174.62 175.74 1xvd n ALA 82 N -4.63 2.08 -0.38 3.99 0.00 -0.85 -1.90 120.51 118.81 1xvd n ALA 82 Ca 0.07 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1xvd n ALA 82 Cb 0.57 -1.32 0.24 0.00 0.00 0.00 0.00 19.45 18.94 1xvd n ALA 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xvd n PHE 83 N -1.25 0.81 0.00 0.00 0.99 -1.26 -4.83 117.46 111.92 1xvd n PHE 83 Ca 0.10 -0.55 0.00 0.00 -0.00 0.00 0.00 57.45 57.00 1xvd n PHE 83 Cb 0.15 -0.08 0.00 0.00 -1.00 0.00 0.00 39.48 38.54 1xvd n PHE 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xvd n GLY 84 N 0.82 2.67 3.71 1.37 0.00 -0.80 -5.01 105.19 107.96 1xvd n GLY 84 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1xvd n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xvd s GLU 85 N -0.19 1.94 -0.56 1.61 2.02 -1.26 -4.64 118.70 117.61 1xvd s GLU 85 Ca 0.00 1.75 -0.18 0.00 0.02 0.00 0.00 54.97 56.55 1xvd s GLU 85 Cb 0.00 -1.81 0.10 0.00 0.10 0.00 0.00 34.13 32.51 1xvd s GLU 85 CO 0.00 -1.98 0.65 0.34 0.02 0.00 0.00 175.26 174.29 1xvd s ASP 86 N -2.11 6.19 0.00 -0.19 -1.08 -1.26 0.19 116.67 118.40 1xvd s ASP 86 Ca 0.74 -1.36 0.00 0.00 -0.52 0.00 0.00 52.55 51.40 1xvd s ASP 86 Cb -0.29 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1xvd s ASP 86 CO 0.48 -1.02 0.43 0.00 0.52 0.00 0.00 175.17 175.57 1xvd n ALA 87 N 6.14 0.00 -0.32 3.66 0.00 0.05 0.09 120.51 130.13 1xvd n ALA 87 Ca -0.10 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.65 1xvd n ALA 87 Cb 0.43 0.21 0.57 0.00 0.00 0.00 0.00 19.45 20.66 1xvd n ALA 87 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xvd h LYS 88 N 0.00 0.03 0.77 0.00 3.64 -1.94 0.11 116.57 119.17 1xvd h LYS 88 Ca 0.00 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1xvd h LYS 88 Cb 0.00 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1xvd h LYS 88 CO 0.00 0.02 -0.38 0.77 -2.27 0.00 0.00 179.45 177.59 1xvd h SER 89 N 0.03 -0.89 -0.43 4.20 0.02 -0.72 -1.45 113.55 114.31 1xvd h SER 89 Ca 0.83 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.90 1xvd h SER 89 Cb 2.15 0.23 -0.09 0.00 0.14 0.00 0.00 62.40 64.84 1xvd h SER 89 CO -0.76 -0.63 -0.15 0.58 -1.14 0.00 0.00 176.83 174.72 1xvd h VAL 90 N -1.04 0.48 -0.02 2.27 2.07 -0.46 0.74 116.25 120.29 1xvd h VAL 90 Ca -0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1xvd h VAL 90 Cb 0.80 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1xvd h VAL 90 CO 0.17 0.00 -0.54 0.25 0.02 0.00 0.00 177.57 177.47 1xvd h LEU 91 N -0.06 -1.66 -1.84 2.57 5.85 -1.08 0.95 115.31 120.04 1xvd h LEU 91 Ca 0.21 0.19 0.13 0.00 0.84 0.00 0.00 57.88 59.24 1xvd h LEU 91 Cb 0.38 0.63 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1xvd h LEU 91 CO -0.47 -0.52 0.38 0.44 -0.34 0.00 0.00 178.44 177.93 1xvd h ASP 92 N -0.66 0.15 0.10 1.25 3.32 -0.63 -1.31 116.42 118.65 1xvd h ASP 92 Ca 0.01 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xvd h ASP 92 Cb 0.71 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1xvd h ASP 92 CO -0.37 0.09 -0.05 1.23 -1.72 0.00 0.00 179.24 178.42 1xvd h GLY 93 N 0.17 -0.14 1.10 2.75 0.00 0.99 -2.72 103.07 105.21 1xvd h GLY 93 Ca 0.26 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 1xvd h GLY 93 CO -0.04 -0.05 0.42 -0.84 0.00 0.00 0.00 176.54 176.02 1xvd h THR 94 N -0.62 1.25 -0.50 4.70 2.02 -0.41 -1.78 112.91 117.56 1xvd h THR 94 Ca -0.01 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1xvd h THR 94 Cb 0.50 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1xvd h THR 94 CO 0.02 0.29 0.21 0.58 0.37 0.00 0.00 175.52 176.99 1xvd h VAL 95 N 1.17 1.18 0.38 3.16 2.07 -1.32 -0.79 116.25 122.10 1xvd h VAL 95 Ca 0.29 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1xvd h VAL 95 Cb 0.08 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1xvd h VAL 95 CO -0.04 0.22 -0.18 0.00 0.02 0.00 0.00 177.57 177.59 1xvd h ALA 96 N 1.52 -0.51 -0.82 1.67 0.00 -1.02 -0.25 119.26 119.85 1xvd h ALA 96 Ca 0.17 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1xvd h ALA 96 Cb 0.13 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1xvd h ALA 96 CO -0.02 -0.68 0.44 0.87 0.00 0.00 0.00 179.25 179.86 1xvd h LYS 97 N -0.72 0.68 -0.36 0.00 1.57 -1.13 -0.78 116.57 115.82 1xvd h LYS 97 Ca -0.05 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1xvd h LYS 97 Cb 0.50 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1xvd h LYS 97 CO 0.09 0.45 0.14 1.98 -0.57 0.00 0.00 179.45 181.54 1xvd h MET 98 N 0.70 0.54 0.00 3.15 4.05 -1.00 -1.80 114.93 120.57 1xvd h MET 98 Ca 0.42 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 1xvd h MET 98 Cb 0.48 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1xvd h MET 98 CO -0.30 0.53 0.00 0.09 0.23 0.00 0.00 176.91 177.46 1xvd n ASN 99 N -4.68 0.00 -0.81 1.39 3.02 -0.12 -1.70 115.26 112.37 1xvd n ASN 99 Ca -0.01 0.08 0.07 0.00 -0.03 0.00 0.00 54.58 54.70 1xvd n ASN 99 Cb 0.14 -0.33 0.19 0.00 -0.61 0.00 0.00 39.78 39.17 1xvd n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xvd n ALA 100 N -1.33 2.25 -2.08 5.41 0.00 -0.37 -4.99 120.51 119.40 1xvd n ALA 100 Ca 0.09 -1.14 -0.41 0.00 0.00 0.00 0.00 53.44 51.98 1xvd n ALA 100 Cb 0.19 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1xvd n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xvd s ALA 101 N -1.02 3.45 0.15 0.00 0.00 -0.69 -4.94 121.76 118.72 1xvd s ALA 101 Ca 0.29 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.23 1xvd s ALA 101 Cb 0.15 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1xvd s ALA 101 CO 0.20 -0.42 1.35 0.87 0.00 0.00 0.00 175.76 177.76 1xvd h LYS 102 N 5.45 0.23 -3.31 0.00 1.79 -1.90 -3.48 116.57 115.36 1xvd h LYS 102 Ca -0.44 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 57.76 1xvd h LYS 102 Cb 1.21 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.88 1xvd h LYS 102 CO 0.76 1.00 0.07 0.16 -1.08 0.00 0.00 179.45 180.36 1xvd s ASP 103 N -6.96 -0.14 0.38 0.86 3.84 -1.26 -5.05 116.67 108.34 1xvd s ASP 103 Ca -0.03 -0.80 0.11 0.00 -0.00 0.00 0.00 52.55 51.82 1xvd s ASP 103 Cb 0.10 0.68 0.88 0.00 -1.38 0.00 0.00 42.92 43.20 1xvd s ASP 103 CO 0.84 -1.28 1.91 0.07 -0.00 0.00 0.00 175.17 176.70 1xvd h LYS 104 N 2.11 0.59 -0.59 2.11 2.10 -1.93 0.66 116.57 121.62 1xvd h LYS 104 Ca -0.23 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.36 1xvd h LYS 104 Cb 1.25 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 32.42 1xvd h LYS 104 CO 0.30 0.39 0.25 -1.49 -2.00 0.00 0.00 179.45 176.89 1xvd h TRP 105 N 0.61 0.85 0.13 0.07 4.06 -1.98 0.23 115.95 119.91 1xvd h TRP 105 Ca 0.39 -0.04 -0.22 0.00 2.06 0.00 0.00 58.89 61.08 1xvd h TRP 105 Cb 0.65 -0.26 0.02 0.00 -1.00 0.00 0.00 29.16 28.58 1xvd h TRP 105 CO -0.00 0.65 -0.93 1.49 -3.56 0.00 0.00 178.44 176.08 1xvd h GLU 106 N 0.84 0.41 -0.22 0.49 4.81 -1.62 -3.24 114.58 116.04 1xvd h GLU 106 Ca 0.20 -0.61 0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1xvd h GLU 106 Cb 0.15 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1xvd h GLU 106 CO -0.02 1.27 0.10 0.00 -0.73 0.00 0.00 179.01 179.63 1xvd h ALA 107 N 0.17 0.26 -0.48 2.92 0.00 -0.59 -2.41 119.26 119.13 1xvd h ALA 107 Ca -0.15 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1xvd h ALA 107 Cb 1.70 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1xvd h ALA 107 CO 0.18 -0.31 0.32 1.05 0.00 0.00 0.00 179.25 180.49 1xvd h GLU 108 N 0.22 0.56 -0.24 0.00 4.11 -0.67 -1.48 114.58 117.07 1xvd h GLU 108 Ca 0.09 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 59.36 1xvd h GLU 108 Cb 0.04 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1xvd h GLU 108 CO -0.07 0.37 -0.38 0.87 0.07 0.00 0.00 179.01 179.87 1xvd h LYS 109 N 0.58 0.55 0.27 1.06 1.57 -1.47 -2.23 116.57 116.91 1xvd h LYS 109 Ca 0.19 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1xvd h LYS 109 Cb 0.05 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1xvd h LYS 109 CO -0.05 0.84 -0.13 0.82 -0.57 0.00 0.00 179.45 180.37 1xvd h ILE 110 N 0.46 0.77 0.38 1.86 2.04 -0.86 -1.72 117.51 120.43 1xvd h ILE 110 Ca 0.04 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1xvd h ILE 110 Cb 0.87 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1xvd h ILE 110 CO 0.07 0.11 -0.44 -0.74 0.00 0.00 0.00 178.15 177.15 1xvd h HIS 111 N -0.65 -1.21 -0.52 1.37 2.76 -1.39 0.16 115.15 115.68 1xvd h HIS 111 Ca -0.04 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.19 1xvd h HIS 111 Cb 0.46 0.48 -0.05 0.00 1.55 0.00 0.00 27.41 29.85 1xvd h HIS 111 CO 0.01 -0.59 0.26 0.82 -1.30 0.00 0.00 177.93 177.13 1xvd h ILE 112 N -0.85 0.94 -0.97 6.26 2.04 -1.49 -1.34 117.51 122.11 1xvd h ILE 112 Ca -0.03 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.69 1xvd h ILE 112 Cb 0.77 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1xvd h ILE 112 CO -0.10 0.09 0.64 1.23 0.00 0.00 0.00 178.15 180.01 1xvd h GLY 113 N 0.50 1.41 0.78 5.37 0.00 -1.06 -1.86 103.07 108.21 1xvd h GLY 113 Ca 0.23 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 47.11 1xvd h GLY 113 CO -0.17 0.43 0.37 -2.75 0.00 0.00 0.00 176.54 174.42 1xvd h PHE 114 N 1.24 0.69 -0.28 5.60 3.57 0.41 -2.59 116.94 125.58 1xvd h PHE 114 Ca 0.38 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.87 1xvd h PHE 114 Cb -0.02 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 1xvd h PHE 114 CO -0.01 0.37 0.05 0.00 -2.23 0.00 0.00 178.31 176.49 1xvd h ARG 115 N 0.71 0.46 0.00 1.11 3.08 -0.68 -0.56 114.38 118.51 1xvd h ARG 115 Ca 0.27 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1xvd h ARG 115 Cb 0.10 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1xvd h ARG 115 CO -0.14 0.56 -0.05 1.96 -1.07 0.00 0.00 179.97 181.24 1xvd h GLN 116 N 0.28 0.00 0.00 0.04 4.20 -1.15 -2.61 115.11 115.87 1xvd h GLN 116 Ca 0.09 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.41 1xvd h GLN 116 Cb 0.32 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 1xvd h GLN 116 CO 0.00 0.05 -2.14 0.00 -0.67 0.00 0.00 178.83 176.07 1xvd n ALA 117 N -2.40 1.08 -0.71 3.87 0.00 -0.99 -4.68 120.51 116.67 1xvd n ALA 117 Ca -0.03 -0.90 0.09 0.00 0.00 0.00 0.00 53.44 52.60 1xvd n ALA 117 Cb 0.13 -0.11 0.37 0.00 0.00 0.00 0.00 19.45 19.84 1xvd n ALA 117 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xvd n TYR 118 N -4.23 1.66 -2.05 0.00 4.02 -0.23 -4.80 117.16 111.54 1xvd n TYR 118 Ca -0.47 -0.65 -0.42 0.00 -0.01 0.00 0.00 57.90 56.36 1xvd n TYR 118 Cb 0.84 -0.32 -0.03 0.00 -0.02 0.00 0.00 39.34 39.81 1xvd n TYR 118 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1xvd s LYS 119 N -2.13 4.28 0.61 -0.72 2.20 -0.98 -2.32 119.74 120.68 1xvd s LYS 119 Ca 0.52 2.25 -0.18 0.00 -0.36 0.00 0.00 55.97 58.20 1xvd s LYS 119 Cb 0.36 -3.16 -0.07 0.00 -1.51 0.00 0.00 37.83 33.45 1xvd s LYS 119 CO 0.22 -0.45 0.56 -2.30 -0.36 0.00 0.00 175.35 173.03 1xvd n PRO 120 N 3.07 0.50 0.00 4.03 -0.02 -1.25 -1.64 135.00 139.68 1xvd n PRO 120 Ca 0.09 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1xvd n PRO 120 Cb 0.40 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1xvd n PRO 120 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xvd n PRO 121 N -0.31 0.65 0.00 0.52 -0.02 -1.26 -4.93 135.00 129.65 1xvd n PRO 121 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1xvd n PRO 121 Cb 0.48 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 1xvd n PRO 121 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1xvd n ILE 122 N -0.30 0.00 -2.98 4.25 2.08 -0.65 -4.49 119.36 117.28 1xvd n ILE 122 Ca 0.00 0.45 -0.33 0.00 0.56 0.00 0.00 62.75 63.43 1xvd n ILE 122 Cb 0.05 -0.90 -0.07 0.00 -0.75 0.00 0.00 39.64 37.97 1xvd n ILE 122 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 1xvd s MET 123 N -0.52 4.11 0.53 0.38 1.75 -0.98 -2.01 119.30 122.56 1xvd s MET 123 Ca 0.00 0.89 -0.22 0.00 -1.25 0.00 0.00 55.69 55.12 1xvd s MET 123 Cb 0.00 -2.31 -0.05 0.00 2.84 0.00 0.00 34.83 35.31 1xvd s MET 123 CO 0.00 0.06 1.30 -2.14 -0.65 0.00 0.00 175.02 173.60 1xvd s PRO 124 N -3.09 3.24 0.18 4.11 0.02 -1.26 -3.94 135.00 134.27 1xvd s PRO 124 Ca 0.58 2.10 -0.14 0.00 0.02 0.00 0.00 61.00 63.57 1xvd s PRO 124 Cb -0.10 -2.25 0.17 0.00 0.02 0.00 0.00 34.50 32.34 1xvd s PRO 124 CO 0.15 -1.07 1.71 0.28 -0.33 0.00 0.00 177.00 177.74 1xvd h VAL 125 N 1.47 0.70 -0.71 3.83 2.07 -1.95 -1.76 116.25 119.91 1xvd h VAL 125 Ca -0.51 -0.06 0.15 0.00 0.82 0.00 0.00 66.70 67.10 1xvd h VAL 125 Cb 1.29 0.49 -0.10 0.00 -1.52 0.00 0.00 31.29 31.45 1xvd h VAL 125 CO 0.58 0.03 0.18 0.78 0.02 0.00 0.00 177.57 179.16 1xvd h ASN 126 N 0.19 0.03 0.35 0.57 2.35 -1.94 -1.17 115.58 115.96 1xvd h ASN 126 Ca 0.24 0.14 -0.29 0.00 -0.55 0.00 0.00 56.30 55.83 1xvd h ASN 126 Cb 0.33 0.18 0.02 0.00 0.05 0.00 0.00 38.32 38.90 1xvd h ASN 126 CO -0.34 -0.01 -1.27 1.88 -1.65 0.00 0.00 177.43 176.04 1xvd h TYR 127 N 0.28 0.79 0.47 1.19 -1.99 -1.88 -3.10 116.97 112.74 1xvd h TYR 127 Ca 0.39 -0.53 -0.01 0.00 2.00 0.00 0.00 58.73 60.58 1xvd h TYR 127 Cb 0.65 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.30 1xvd h TYR 127 CO -0.25 1.40 -0.50 0.35 -0.00 0.00 0.00 178.16 179.16 1xvd h PHE 128 N 0.17 -1.38 0.00 4.88 3.57 -0.56 0.42 116.94 124.04 1xvd h PHE 128 Ca -0.18 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 1xvd h PHE 128 Cb 1.96 0.54 -0.00 0.00 2.79 0.00 0.00 35.95 41.23 1xvd h PHE 128 CO 0.10 -0.66 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.30 1xvd h LEU 129 N -0.98 0.00 -0.49 0.59 3.38 -1.39 0.76 115.31 117.18 1xvd h LEU 129 Ca -0.06 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1xvd h LEU 129 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1xvd h LEU 129 CO -0.08 0.15 -0.31 -0.78 0.09 0.00 0.00 178.44 177.51 1xvd h ASP 130 N 0.00 0.95 -0.54 -0.43 3.58 -1.37 -1.39 116.42 117.22 1xvd h ASP 130 Ca -0.00 -0.40 -0.09 0.00 0.42 0.00 0.00 57.03 56.96 1xvd h ASP 130 Cb 0.27 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1xvd h ASP 130 CO 0.02 1.18 0.00 1.23 -2.88 0.00 0.00 179.24 178.79 1xvd h GLY 131 N 0.86 1.03 0.41 -0.78 0.00 0.18 -2.49 103.07 102.28 1xvd h GLY 131 Ca 0.08 -0.76 0.14 0.00 0.00 0.00 0.00 47.33 46.80 1xvd h GLY 131 CO 0.08 0.70 0.61 -2.09 0.00 0.00 0.00 176.54 175.84 1xvd h GLU 132 N 0.83 0.81 -0.14 4.80 4.57 -0.54 0.72 114.58 125.63 1xvd h GLU 132 Ca 0.15 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.16 1xvd h GLU 132 Cb 0.53 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1xvd h GLU 132 CO 0.03 0.54 -0.46 0.07 -1.18 0.00 0.00 179.01 178.00 1xvd h ARG 133 N 0.84 0.35 0.04 1.92 0.11 -0.82 -1.86 114.38 114.95 1xvd h ARG 133 Ca 0.50 -0.19 -0.16 0.00 0.10 0.00 0.00 59.98 60.23 1xvd h ARG 133 Cb 0.67 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.74 1xvd h ARG 133 CO -0.27 0.75 -0.86 1.96 0.10 0.00 0.00 179.97 181.65 1xvd h GLN 134 N 0.29 0.08 0.51 0.08 4.20 -0.71 -3.18 115.11 116.38 1xvd h GLN 134 Ca 0.02 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1xvd h GLN 134 Cb 0.93 0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.76 1xvd h GLN 134 CO 0.08 1.06 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.98 1xvd h LEU 135 N -0.80 -0.59 -0.93 1.46 3.38 0.26 -2.48 115.31 115.63 1xvd h LEU 135 Ca -0.21 0.02 0.18 0.00 0.09 0.00 0.00 57.88 57.96 1xvd h LEU 135 Cb 1.33 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 42.13 1xvd h LEU 135 CO -0.06 -0.42 0.51 1.23 0.09 0.00 0.00 178.44 179.79 1xvd h GLY 136 N -0.69 1.59 1.02 0.83 0.00 -1.51 -0.14 103.07 104.17 1xvd h GLY 136 Ca -0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1xvd h GLY 136 CO 0.12 -0.09 0.54 -0.84 0.00 0.00 0.00 176.54 176.26 1xvd h THR 137 N 0.64 1.25 -0.00 4.70 2.02 -1.46 -2.16 112.91 117.90 1xvd h THR 137 Ca 0.53 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xvd h THR 137 Cb 0.84 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1xvd h THR 137 CO -0.40 0.26 -0.00 -0.09 0.37 0.00 0.00 175.52 175.65 1xvd h ARG 138 N 1.23 0.00 -0.50 6.66 9.65 -0.62 -2.71 114.38 128.09 1xvd h ARG 138 Ca 0.32 -0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.30 1xvd h ARG 138 Cb -0.05 -0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.44 1xvd h ARG 138 CO -0.06 0.34 -0.07 1.25 2.80 0.00 0.00 179.97 184.24 1xvd h LEU 139 N -0.34 -0.35 -0.65 3.80 5.85 -1.08 -2.17 115.31 120.37 1xvd h LEU 139 Ca 0.00 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1xvd h LEU 139 Cb 0.34 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1xvd h LEU 139 CO 0.00 -0.13 0.31 0.24 -0.34 0.00 0.00 178.44 178.52 1xvd h MET 140 N 0.05 0.93 -1.00 1.25 2.86 -1.41 -1.65 114.93 115.96 1xvd h MET 140 Ca 0.25 -0.14 0.08 0.00 -2.06 0.00 0.00 59.70 57.83 1xvd h MET 140 Cb 0.38 -0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.80 1xvd h MET 140 CO -0.47 0.75 0.65 0.93 1.06 0.00 0.00 176.91 179.82 1xvd h GLU 141 N 0.89 1.11 0.11 1.72 5.08 -1.06 0.52 114.58 122.95 1xvd h GLU 141 Ca 0.22 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 1xvd h GLU 141 Cb 0.12 -0.25 0.02 0.00 0.50 0.00 0.00 28.75 29.15 1xvd h GLU 141 CO -0.03 0.73 -0.87 -0.07 -1.00 0.00 0.00 179.01 177.78 1xvd h LEU 142 N 1.14 0.58 -0.07 1.33 3.38 -1.33 -3.30 115.31 117.04 1xvd h LEU 142 Ca 0.45 -0.88 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1xvd h LEU 142 Cb 0.24 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xvd h LEU 142 CO -0.19 1.40 0.03 0.03 0.09 0.00 0.00 178.44 179.80 1xvd h ARG 143 N -0.16 0.10 0.00 1.13 3.08 -1.04 -3.15 114.38 114.35 1xvd h ARG 143 Ca -0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1xvd h ARG 143 Cb 1.63 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.66 1xvd h ARG 143 CO 0.17 0.21 0.00 0.09 -1.07 0.00 0.00 179.97 179.37 1xvd n ASN 144 N -4.96 0.00 -4.65 7.04 3.02 0.15 -4.42 115.26 111.44 1xvd n ASN 144 Ca -0.06 -0.98 -0.43 0.00 -0.03 0.00 0.00 54.58 53.09 1xvd n ASN 144 Cb 0.10 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 1xvd n ASN 144 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xvd s LEU 145 N -1.82 4.08 -1.39 3.41 2.96 -1.19 -3.69 118.68 121.04 1xvd s LEU 145 Ca 0.33 1.28 -0.02 0.00 -0.22 0.00 0.00 54.13 55.50 1xvd s LEU 145 Cb 0.15 -3.48 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1xvd s LEU 145 CO 0.25 -0.67 0.44 0.59 -1.32 0.00 0.00 176.35 175.64 1xvd n ASN 146 N 6.32 -0.65 -0.34 3.68 3.02 -1.26 -4.85 115.26 121.19 1xvd n ASN 146 Ca 0.11 -1.02 0.18 0.00 -0.03 0.00 0.00 54.58 53.82 1xvd n ASN 146 Cb 0.46 -3.03 0.41 0.00 -0.61 0.00 0.00 39.78 37.02 1xvd n ASN 146 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1xvd h TYR 147 N -1.85 0.90 -0.22 3.10 3.20 -1.77 -2.83 116.97 117.50 1xvd h TYR 147 Ca -0.64 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.27 1xvd h TYR 147 Cb 1.38 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1xvd h TYR 147 CO 0.48 0.11 0.00 0.66 -1.64 0.00 0.00 178.16 177.77 1xvd n TYR 148 N -4.76 0.26 -0.16 -3.82 4.02 -1.26 -4.58 117.16 106.87 1xvd n TYR 148 Ca 0.25 -0.13 -0.08 0.00 -0.01 0.00 0.00 57.90 57.93 1xvd n TYR 148 Cb 0.74 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.07 1xvd n TYR 148 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1xvd h ASP 149 N 4.54 0.62 -2.89 7.72 3.32 -1.87 -3.41 116.42 124.44 1xvd h ASP 149 Ca 0.00 -0.15 -0.56 0.00 0.02 0.00 0.00 57.03 56.34 1xvd h ASP 149 Cb 0.98 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1xvd h ASP 149 CO 0.00 0.60 1.03 -0.89 -1.72 0.00 0.00 179.24 178.26 1xvd s THR 150 N -5.63 3.93 0.56 0.35 2.01 -1.26 -4.99 115.64 110.60 1xvd s THR 150 Ca -0.13 1.07 -0.21 0.00 0.31 0.00 0.00 61.69 62.73 1xvd s THR 150 Cb 0.11 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1xvd s THR 150 CO 0.76 -0.30 1.28 -2.16 -0.69 0.00 0.00 174.62 173.51 1xvd s PRO 151 N 4.24 3.12 0.31 4.92 0.04 -1.26 -4.65 135.00 141.72 1xvd s PRO 151 Ca 0.64 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.79 1xvd s PRO 151 Cb -0.23 -2.14 0.87 0.00 0.04 0.00 0.00 34.50 33.05 1xvd s PRO 151 CO 0.25 -1.14 1.69 -0.07 0.04 0.00 0.00 177.00 177.77 1xvd h LEU 152 N 1.28 0.46 -0.04 -3.56 3.38 -1.94 0.18 115.31 115.07 1xvd h LEU 152 Ca -0.51 0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1xvd h LEU 152 Cb 1.30 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 1xvd h LEU 152 CO 0.57 -0.02 -0.09 -0.33 0.09 0.00 0.00 178.44 178.66 1xvd h GLU 153 N 0.42 -0.13 -0.31 1.13 3.07 -2.00 -0.75 114.58 116.00 1xvd h GLU 153 Ca 0.63 0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 59.33 1xvd h GLU 153 Cb 1.28 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1xvd h GLU 153 CO -0.54 -0.09 -0.48 1.49 -1.40 0.00 0.00 179.01 177.98 1xvd h GLU 154 N -0.14 0.84 -0.76 2.33 4.57 -1.57 -3.13 114.58 116.73 1xvd h GLU 154 Ca 0.05 -0.49 0.01 0.00 -1.18 0.00 0.00 59.36 57.74 1xvd h GLU 154 Cb 0.20 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 1xvd h GLU 154 CO -0.12 1.13 0.50 1.25 -1.18 0.00 0.00 179.01 180.59 1xvd h LEU 155 N 0.66 0.87 -0.98 1.64 5.85 -0.49 -0.84 115.31 122.03 1xvd h LEU 155 Ca 0.03 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1xvd h LEU 155 Cb 1.07 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1xvd h LEU 155 CO 0.11 0.63 0.21 0.03 -0.34 0.00 0.00 178.44 179.09 1xvd h ARG 156 N 1.03 0.95 -0.21 1.25 3.08 -1.08 -1.09 114.38 118.30 1xvd h ARG 156 Ca 0.28 -0.18 -0.17 0.00 0.07 0.00 0.00 59.98 59.98 1xvd h ARG 156 Cb -0.11 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.78 1xvd h ARG 156 CO -0.06 0.81 -0.55 0.87 -1.07 0.00 0.00 179.97 179.97 1xvd h LYS 157 N 0.93 0.63 -0.48 0.04 1.57 -1.32 -1.86 116.57 116.08 1xvd h LYS 157 Ca 0.21 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1xvd h LYS 157 Cb 0.24 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1xvd h LYS 157 CO -0.01 1.02 0.17 1.96 -0.57 0.00 0.00 179.45 182.01 1xvd h GLN 158 N 0.48 0.74 0.00 3.15 4.20 -0.77 -1.99 115.11 120.92 1xvd h GLN 158 Ca 0.01 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1xvd h GLN 158 Cb 1.11 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1xvd h GLN 158 CO 0.11 0.69 -0.21 -0.09 -0.67 0.00 0.00 178.83 178.66 1xvd h ARG 159 N 0.65 0.00 -0.74 1.46 9.65 -1.16 -3.46 114.38 120.78 1xvd h ARG 159 Ca 0.16 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.98 1xvd h ARG 159 Cb 0.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1xvd h ARG 159 CO -0.01 0.21 -0.08 0.41 2.80 0.00 0.00 179.97 183.30 1xvd n GLY 160 N -0.43 0.38 3.85 2.80 0.00 -0.75 -5.03 105.19 106.00 1xvd n GLY 160 Ca -0.01 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 1xvd n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xvd s VAL 161 N -2.38 4.66 -0.43 1.61 0.11 -0.89 -5.03 120.40 118.06 1xvd s VAL 161 Ca 0.02 0.99 -0.19 0.00 -2.93 0.00 0.00 61.98 59.86 1xvd s VAL 161 Cb -0.01 -3.63 0.02 0.00 -1.53 0.00 0.00 36.38 31.23 1xvd s VAL 161 CO 0.03 -0.15 0.56 -0.60 -3.33 0.00 0.00 175.10 171.60 1xvd s ARG 162 N -2.90 3.21 -0.11 1.54 3.52 -1.26 -4.81 118.95 118.14 1xvd s ARG 162 Ca 0.53 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 55.32 1xvd s ARG 162 Cb -0.11 -3.96 -0.03 0.00 -1.56 0.00 0.00 34.95 29.30 1xvd s ARG 162 CO 0.18 -0.94 1.31 0.08 -0.81 0.00 0.00 175.30 175.11 1xvd s VAL 163 N 2.55 4.13 -0.03 7.11 1.01 -1.26 -4.90 120.40 129.01 1xvd s VAL 163 Ca 0.18 1.41 0.16 0.00 0.00 0.00 0.00 61.98 63.73 1xvd s VAL 163 Cb -0.15 -3.91 -0.24 0.00 0.00 0.00 0.00 36.38 32.08 1xvd s VAL 163 CO 0.17 -0.08 0.32 1.33 0.00 0.00 0.00 175.10 176.83 1xvd n VAL 164 N 5.13 0.09 -3.62 2.92 0.24 -1.26 -5.04 118.33 116.79 1xvd n VAL 164 Ca 0.13 -0.38 -0.09 0.00 -2.04 0.00 0.00 64.34 61.96 1xvd n VAL 164 Cb 0.45 0.07 -0.07 0.00 -1.47 0.00 0.00 33.84 32.82 1xvd n VAL 164 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1xvd s HIS 165 N -3.03 -0.41 -0.07 6.34 2.46 -1.26 -5.17 115.29 114.15 1xvd s HIS 165 Ca -0.06 0.94 -0.07 0.00 0.47 0.00 0.00 55.06 56.34 1xvd s HIS 165 Cb 0.10 0.39 0.02 0.00 -0.13 0.00 0.00 32.58 32.96 1xvd s HIS 165 CO 0.65 -0.24 0.20 -0.51 -2.47 0.00 0.00 174.74 172.37 1xvd s LEU 166 N -0.11 1.26 -0.25 8.88 1.43 -1.26 -5.15 118.68 123.48 1xvd s LEU 166 Ca 0.02 0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 1xvd s LEU 166 Cb -0.04 0.69 0.09 0.00 0.03 0.00 0.00 46.19 46.96 1xvd s LEU 166 CO -0.05 -0.10 0.56 0.00 0.23 0.00 0.00 176.35 176.99 1xvd s GLN 167 N -0.04 0.53 -0.14 1.70 -2.07 -1.26 -5.14 119.66 113.23 1xvd s GLN 167 Ca -0.01 1.16 -0.05 0.00 -1.82 0.00 0.00 55.36 54.64 1xvd s GLN 167 Cb -0.02 0.35 0.07 0.00 -1.09 0.00 0.00 33.01 32.32 1xvd s GLN 167 CO 0.00 -0.19 0.26 -1.12 -1.32 0.00 0.00 175.29 172.93 1xvd s SER 168 N 2.14 0.50 0.00 12.60 0.01 -1.26 -5.35 113.70 122.34 1xvd s SER 168 Ca -0.07 0.46 0.28 0.00 1.31 0.00 0.00 55.95 57.93 1xvd s SER 168 Cb -0.09 0.67 1.68 0.00 0.21 0.00 0.00 66.02 68.49 1xvd s SER 168 CO -0.17 -0.26 2.02 -0.81 0.41 0.00 0.00 173.24 174.44