#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vml s GLN 2 N 0.00 2.28 0.52 2.12 -1.52 -1.26 -5.07 119.66 116.72 2vml s GLN 2 Ca 0.00 -1.10 0.01 0.00 -1.95 0.00 0.00 55.36 52.33 2vml s GLN 2 Cb 0.00 -2.32 -0.00 0.00 -0.22 0.00 0.00 33.01 30.47 2vml s GLN 2 CO 0.00 0.47 0.04 0.16 -0.25 0.00 0.00 175.29 175.71 2vml s ASP 3 N -2.69 4.19 0.31 5.90 1.47 -1.26 -4.63 116.67 119.96 2vml s ASP 3 Ca 0.25 -1.63 0.05 0.00 1.18 0.00 0.00 52.55 52.41 2vml s ASP 3 Cb -0.10 0.55 0.69 0.00 -0.34 0.00 0.00 42.92 43.72 2vml s ASP 3 CO 0.17 -0.90 1.84 0.00 0.68 0.00 0.00 175.17 176.96 2vml h ALA 4 N 1.27 1.67 -0.15 2.11 0.00 -1.48 0.07 119.26 122.75 2vml h ALA 4 Ca -0.43 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 2vml h ALA 4 Cb 1.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2vml h ALA 4 CO 0.72 0.06 -0.44 0.74 0.00 0.00 0.00 179.25 180.33 2vml h PHE 5 N 0.84 0.73 -0.56 0.00 0.04 -1.93 -3.01 116.94 113.05 2vml h PHE 5 Ca 0.50 -0.29 -0.10 0.00 2.80 0.00 0.00 57.97 60.88 2vml h PHE 5 Cb 0.66 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 2vml h PHE 5 CO -0.00 1.05 -0.04 1.15 -0.60 0.00 0.00 178.31 179.87 2vml h THR 6 N 0.19 1.26 -0.64 -1.55 2.02 -1.88 -2.31 112.91 110.01 2vml h THR 6 Ca -0.01 -1.17 0.04 0.00 0.77 0.00 0.00 66.41 66.03 2vml h THR 6 Cb 1.06 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 2vml h THR 6 CO 0.09 0.42 0.38 0.50 0.37 0.00 0.00 175.52 177.28 2vml h LYS 7 N 0.91 0.71 -0.36 6.66 3.64 -1.03 -1.73 116.57 125.37 2vml h LYS 7 Ca 0.16 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2vml h LYS 7 Cb 0.58 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2vml h LYS 7 CO 0.03 0.47 0.10 0.00 -2.27 0.00 0.00 179.45 177.78 2vml h ALA 8 N 1.30 0.47 -0.80 5.00 0.00 -1.36 -2.75 119.26 121.12 2vml h ALA 8 Ca 0.27 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2vml h ALA 8 Cb 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2vml h ALA 8 CO -0.13 0.12 0.50 0.82 0.00 0.00 0.00 179.25 180.56 2vml h ILE 9 N 0.42 1.07 -0.80 0.00 2.04 -1.27 -0.01 117.51 118.96 2vml h ILE 9 Ca 0.11 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 2vml h ILE 9 Cb 0.28 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 2vml h ILE 9 CO -0.00 0.17 0.43 0.58 0.00 0.00 0.00 178.15 179.33 2vml h VAL 10 N 0.94 1.24 -0.25 1.67 2.07 -1.23 -1.17 116.25 119.51 2vml h VAL 10 Ca 0.34 -0.60 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 2vml h VAL 10 Cb 0.10 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2vml h VAL 10 CO -0.14 0.27 -0.31 0.00 0.02 0.00 0.00 177.57 177.40 2vml h ALA 11 N 1.23 0.38 -0.44 1.67 0.00 -1.18 -2.62 119.26 118.29 2vml h ALA 11 Ca 0.28 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2vml h ALA 11 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2vml h ALA 11 CO -0.04 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.71 2vml h ALA 12 N 0.67 1.32 -0.30 0.00 0.00 -0.88 -2.89 119.26 117.17 2vml h ALA 12 Ca 0.03 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 2vml h ALA 12 Cb 0.89 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2vml h ALA 12 CO 0.07 0.48 -0.37 0.22 0.00 0.00 0.00 179.25 179.65 2vml h ASP 13 N 0.65 0.74 0.23 0.00 3.58 -1.17 -0.46 116.42 120.00 2vml h ASP 13 Ca 0.15 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 2vml h ASP 13 Cb 0.28 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 2vml h ASP 13 CO 0.00 1.04 -0.10 -0.07 -2.88 0.00 0.00 179.24 177.23 2vml h LEU 14 N 0.58 0.00 -0.10 2.28 3.38 -1.26 0.09 115.31 120.28 2vml h LEU 14 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2vml h LEU 14 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2vml h LEU 14 CO 0.08 0.10 -0.15 0.54 0.09 0.00 0.00 178.44 179.10 2vml n ARG 15 N -3.85 0.33 -1.80 1.13 1.74 -1.04 -4.95 116.66 108.22 2vml n ARG 15 Ca -0.02 -0.10 -0.10 0.00 -0.77 0.00 0.00 57.85 56.86 2vml n ARG 15 Cb 0.20 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 2vml n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vml n GLY 16 N 1.39 0.47 3.43 -0.13 0.00 0.02 -5.01 105.19 105.35 2vml n GLY 16 Ca 0.10 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 2vml n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vml s SER 17 N -2.70 3.54 0.74 1.61 0.01 -0.21 -5.00 113.70 111.69 2vml s SER 17 Ca 0.00 -0.71 -0.14 0.00 1.31 0.00 0.00 55.95 56.41 2vml s SER 17 Cb 0.00 -0.34 0.05 0.00 0.21 0.00 0.00 66.02 65.94 2vml s SER 17 CO 0.00 0.17 1.19 -0.36 0.41 0.00 0.00 173.24 174.65 2vml s PHE 18 N -1.21 2.07 0.36 2.43 0.08 -1.26 -4.24 117.98 116.22 2vml s PHE 18 Ca 0.17 1.61 -0.28 0.00 0.12 0.00 0.00 56.93 58.55 2vml s PHE 18 Cb -0.10 -3.42 -0.11 0.00 -0.57 0.00 0.00 43.02 38.82 2vml s PHE 18 CO 0.08 -2.52 1.48 1.28 -0.10 0.00 0.00 175.22 175.44 2vml n LEU 19 N -2.86 4.60 -4.83 -0.37 4.77 -1.26 -5.00 117.00 112.05 2vml n LEU 19 Ca 0.13 1.22 -0.30 0.00 -0.03 0.00 0.00 56.01 57.02 2vml n LEU 19 Cb 0.51 -1.60 0.06 0.00 -2.33 0.00 0.00 43.42 40.06 2vml n LEU 19 CO 0.48 0.09 0.72 -0.94 -1.33 0.00 0.00 177.39 176.41 2vml s SER 20 N -0.08 5.09 0.25 -1.43 1.04 -1.26 -4.86 113.70 112.44 2vml s SER 20 Ca 0.55 1.35 -0.03 0.00 0.48 0.00 0.00 55.95 58.30 2vml s SER 20 Cb -0.49 -2.17 0.47 0.00 0.10 0.00 0.00 66.02 63.93 2vml s SER 20 CO 0.62 -1.59 1.74 -0.08 0.98 0.00 0.00 173.24 174.91 2vml h GLU 21 N -0.83 0.49 -0.36 4.02 4.57 -1.98 -0.03 114.58 120.46 2vml h GLU 21 Ca -0.45 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.68 2vml h GLU 21 Cb 1.24 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 2vml h GLU 21 CO 0.60 0.32 0.14 0.37 -1.18 0.00 0.00 179.01 179.26 2vml h GLN 22 N 0.50 0.53 -0.38 1.92 -0.00 -1.99 -0.19 115.11 115.50 2vml h GLN 22 Ca 0.42 -0.10 -0.06 0.00 -0.00 0.00 0.00 58.65 58.92 2vml h GLN 22 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 2vml h GLN 22 CO -0.38 0.52 0.01 0.93 0.00 0.00 0.00 178.83 179.91 2vml h GLU 23 N 0.43 0.67 -0.45 1.69 5.08 -1.81 -2.55 114.58 117.63 2vml h GLU 23 Ca 0.12 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2vml h GLU 23 Cb 0.19 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2vml h GLU 23 CO -0.01 0.75 0.18 -0.07 -1.00 0.00 0.00 179.01 178.86 2vml h LEU 24 N 0.49 0.58 -0.14 1.33 3.38 -0.86 -2.43 115.31 117.66 2vml h LEU 24 Ca 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2vml h LEU 24 Cb 0.44 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2vml h LEU 24 CO 0.02 0.53 0.05 0.78 0.09 0.00 0.00 178.44 179.91 2vml h ASN 25 N 0.64 0.19 -0.75 -0.43 2.35 -0.86 0.12 115.58 116.84 2vml h ASN 25 Ca 0.16 -0.17 0.12 0.00 -0.55 0.00 0.00 56.30 55.85 2vml h ASN 25 Cb 0.13 -0.05 -0.08 0.00 0.05 0.00 0.00 38.32 38.37 2vml h ASN 25 CO -0.02 0.32 0.35 1.56 -1.65 0.00 0.00 177.43 177.99 2vml h GLN 26 N 0.06 0.54 -0.17 0.81 1.08 -1.30 -1.17 115.11 114.96 2vml h GLN 26 Ca 0.05 -0.03 -0.21 0.00 -1.45 0.00 0.00 58.65 57.00 2vml h GLN 26 Cb 0.18 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2vml h GLN 26 CO -0.00 0.36 -0.73 -0.07 -0.95 0.00 0.00 178.83 177.43 2vml h LEU 27 N 0.55 0.89 -1.30 1.46 3.38 -1.26 -1.84 115.31 117.20 2vml h LEU 27 Ca 0.39 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.87 2vml h LEU 27 Cb 0.51 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2vml h LEU 27 CO -0.33 1.36 0.52 0.74 0.09 0.00 0.00 178.44 180.81 2vml h THR 28 N 0.53 1.02 -0.34 0.22 2.02 -0.57 -1.79 112.91 114.00 2vml h THR 28 Ca -0.04 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 66.72 2vml h THR 28 Cb 1.35 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2vml h THR 28 CO 0.15 0.15 -0.33 -1.13 0.37 0.00 0.00 175.52 174.73 2vml h ASN 29 N 0.83 0.88 -0.59 4.18 -0.73 -0.93 -1.55 115.58 117.67 2vml h ASN 29 Ca 0.35 -0.47 -0.03 0.00 1.87 0.00 0.00 56.30 58.02 2vml h ASN 29 Cb 0.29 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 2vml h ASN 29 CO -0.13 1.17 0.27 0.25 -0.37 0.00 0.00 177.43 178.62 2vml h LEU 30 N 0.61 0.79 -0.59 0.34 6.46 -1.10 -1.24 115.31 120.58 2vml h LEU 30 Ca 0.05 -0.15 0.03 0.00 -0.12 0.00 0.00 57.88 57.70 2vml h LEU 30 Cb 0.92 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 2vml h LEU 30 CO 0.08 0.72 0.35 0.58 -0.62 0.00 0.00 178.44 179.55 2vml h VAL 31 N 0.81 1.05 -0.88 1.05 2.07 -1.19 -1.69 116.25 117.47 2vml h VAL 31 Ca 0.20 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2vml h VAL 31 Cb 0.15 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 2vml h VAL 31 CO -0.02 0.12 0.50 0.50 0.02 0.00 0.00 177.57 178.69 2vml h LYS 32 N 0.68 1.21 -0.19 1.57 3.64 -0.86 -2.55 116.57 120.08 2vml h LYS 32 Ca 0.24 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2vml h LYS 32 Cb 0.05 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 2vml h LYS 32 CO -0.11 0.87 0.00 0.39 -2.27 0.00 0.00 179.45 178.33 2vml n GLU 33 N -4.37 1.71 0.21 1.90 -0.58 -0.51 -4.50 120.64 114.49 2vml n GLU 33 Ca 0.09 -1.07 0.06 0.00 -0.42 0.00 0.00 57.16 55.83 2vml n GLU 33 Cb 0.08 -1.36 0.44 0.00 -0.57 0.00 0.00 31.44 30.02 2vml n GLU 33 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2vml h SER 34 N 2.07 0.00 -0.41 1.62 4.64 -0.86 -2.25 113.55 118.36 2vml h SER 34 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2vml h SER 34 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2vml h SER 34 CO 0.00 0.31 -0.30 0.78 -0.87 0.00 0.00 176.83 176.75 2vml h ASN 35 N 0.00 0.98 -0.70 4.97 2.35 -1.80 0.04 115.58 121.41 2vml h ASN 35 Ca -0.00 -0.44 0.01 0.00 -0.55 0.00 0.00 56.30 55.32 2vml h ASN 35 Cb 0.69 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 2vml h ASN 35 CO 0.04 1.21 0.47 0.11 -1.65 0.00 0.00 177.43 177.61 2vml h LYS 36 N 0.76 0.93 -0.68 0.81 1.57 -1.83 -1.68 116.57 116.44 2vml h LYS 36 Ca 0.08 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2vml h LYS 36 Cb 0.89 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2vml h LYS 36 CO 0.08 0.61 0.44 -0.09 -0.57 0.00 0.00 179.45 179.92 2vml h ARG 37 N 0.96 0.84 -0.75 3.15 2.43 -1.11 0.12 114.38 120.02 2vml h ARG 37 Ca 0.26 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 2vml h ARG 37 Cb -0.11 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.22 2vml h ARG 37 CO -0.06 0.56 0.24 -0.07 -1.51 0.00 0.00 179.97 179.13 2vml h LEU 38 N 0.87 1.10 -0.62 3.80 3.38 -0.77 -0.90 115.31 122.17 2vml h LEU 38 Ca 0.26 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2vml h LEU 38 Cb -0.03 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 2vml h LEU 38 CO -0.09 1.01 0.25 0.44 0.09 0.00 0.00 178.44 180.15 2vml h ASP 39 N 1.12 0.86 -0.42 -0.43 3.32 -0.83 -0.88 116.42 119.17 2vml h ASP 39 Ca 0.24 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2vml h ASP 39 Cb 0.31 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2vml h ASP 39 CO -0.01 0.80 0.17 0.00 -1.72 0.00 0.00 179.24 178.48 2vml h ALA 40 N 1.10 0.54 -0.64 3.45 0.00 -0.66 -0.04 119.26 123.01 2vml h ALA 40 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2vml h ALA 40 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2vml h ALA 40 CO -0.02 0.14 0.28 0.28 0.00 0.00 0.00 179.25 179.94 2vml h VAL 41 N 0.53 1.23 -0.31 0.00 2.07 -1.14 -2.95 116.25 115.69 2vml h VAL 41 Ca 0.14 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2vml h VAL 41 Cb 0.18 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2vml h VAL 41 CO -0.01 0.27 0.16 -1.13 0.02 0.00 0.00 177.57 176.87 2vml h ASN 42 N 0.88 0.37 -0.68 0.57 -1.24 -0.96 -1.79 115.58 112.72 2vml h ASN 42 Ca 0.22 -0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.15 2vml h ASN 42 Cb 0.16 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2vml h ASN 42 CO -0.02 0.31 0.24 0.00 -1.29 0.00 0.00 177.43 176.67 2vml h ALA 43 N 1.75 1.10 -0.01 1.57 0.00 -0.83 -0.80 119.26 122.04 2vml h ALA 43 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2vml h ALA 43 Cb 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2vml h ALA 43 CO -0.02 0.63 -0.09 0.82 0.00 0.00 0.00 179.25 180.59 2vml h ILE 44 N 1.03 1.55 -0.32 0.00 2.04 -1.39 -3.15 117.51 117.27 2vml h ILE 44 Ca 0.23 -1.75 0.03 0.00 1.00 0.00 0.00 64.86 64.37 2vml h ILE 44 Cb 0.26 2.69 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 2vml h ILE 44 CO -0.01 0.46 0.14 0.74 0.00 0.00 0.00 178.15 179.48 2vml h THR 45 N -0.61 0.96 0.00 -0.27 2.02 -1.37 -1.06 112.91 112.58 2vml h THR 45 Ca -0.01 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2vml h THR 45 Cb 0.81 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2vml h THR 45 CO 0.02 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.57 2vml n GLY 46 N -1.20 -1.17 0.50 2.16 0.00 -0.31 -3.06 105.19 102.10 2vml n GLY 46 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2vml n GLY 46 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vml n ASN 47 N -1.85 1.15 -0.01 1.61 3.02 -1.08 -4.92 115.26 113.17 2vml n ASN 47 Ca 0.03 -2.60 -0.11 0.00 -0.03 0.00 0.00 54.58 51.88 2vml n ASN 47 Cb 0.22 -0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 39.01 2vml n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vml h ALA 48 N 0.25 0.14 -0.92 5.41 0.00 -1.12 -0.89 119.26 122.14 2vml h ALA 48 Ca -0.03 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2vml h ALA 48 Cb 1.28 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2vml h ALA 48 CO 0.01 -0.38 0.60 0.00 0.00 0.00 0.00 179.25 179.48 2vml h ALA 49 N 1.05 1.16 -0.40 0.00 0.00 -1.87 -1.92 119.26 117.29 2vml h ALA 49 Ca 0.05 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2vml h ALA 49 Cb -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2vml h ALA 49 CO -0.03 0.57 -0.36 0.93 0.00 0.00 0.00 179.25 180.37 2vml h GLU 50 N 1.25 0.94 -0.35 0.00 3.07 -1.88 -1.37 114.58 116.23 2vml h GLU 50 Ca 0.33 -0.48 0.03 0.00 -0.50 0.00 0.00 59.36 58.74 2vml h GLU 50 Cb -0.13 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 2vml h GLU 50 CO -0.07 1.14 0.18 0.82 -1.40 0.00 0.00 179.01 179.67 2vml h ILE 51 N 0.78 0.98 -0.23 3.13 2.04 -0.91 0.10 117.51 123.39 2vml h ILE 51 Ca 0.07 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2vml h ILE 51 Cb 0.95 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2vml h ILE 51 CO 0.09 0.07 -0.01 0.40 0.00 0.00 0.00 178.15 178.70 2vml h ILE 52 N 0.36 1.26 -0.37 -0.67 2.04 -1.22 -2.29 117.51 116.62 2vml h ILE 52 Ca 0.15 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 2vml h ILE 52 Cb 0.06 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2vml h ILE 52 CO -0.10 0.29 0.01 -1.28 0.00 0.00 0.00 178.15 177.06 2vml h SER 53 N 0.18 0.63 -0.35 1.72 0.87 -1.19 0.13 113.55 115.55 2vml h SER 53 Ca 0.07 -0.30 0.01 0.00 -1.23 0.00 0.00 61.79 60.33 2vml h SER 53 Cb 0.43 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2vml h SER 53 CO 0.01 0.78 0.22 0.44 -0.53 0.00 0.00 176.83 177.75 2vml h ASP 54 N 0.47 0.37 -0.47 6.23 3.32 -0.79 -1.41 116.42 124.15 2vml h ASP 54 Ca 0.11 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2vml h ASP 54 Cb 0.45 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2vml h ASP 54 CO 0.02 0.27 0.26 0.00 -1.72 0.00 0.00 179.24 178.07 2vml h ALA 55 N 1.13 0.60 0.09 3.45 0.00 -1.28 -2.56 119.26 120.69 2vml h ALA 55 Ca 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vml h ALA 55 Cb -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2vml h ALA 55 CO -0.04 0.11 -0.04 0.00 0.00 0.00 0.00 179.25 179.28 2vml h ALA 56 N 1.11 -0.12 -0.64 0.00 0.00 -0.57 -0.60 119.26 118.44 2vml h ALA 56 Ca 0.16 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2vml h ALA 56 Cb 0.04 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2vml h ALA 56 CO -0.03 -0.55 0.30 0.45 0.00 0.00 0.00 179.25 179.43 2vml h HIS 57 N -0.17 0.54 -0.65 0.00 -0.00 -1.27 -1.89 115.15 111.71 2vml h HIS 57 Ca -0.01 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.31 2vml h HIS 57 Cb 0.14 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 2vml h HIS 57 CO -0.06 0.20 0.11 0.87 -0.00 0.00 0.00 177.93 179.05 2vml h LYS 58 N 0.53 1.08 -0.67 2.45 1.57 -1.26 -2.17 116.57 118.10 2vml h LYS 58 Ca 0.31 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2vml h LYS 58 Cb 0.31 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2vml h LYS 58 CO -0.25 0.99 0.35 1.25 -0.57 0.00 0.00 179.45 181.21 2vml h LEU 59 N 0.99 0.85 0.00 2.94 5.85 -0.67 -1.47 115.31 123.81 2vml h LEU 59 Ca 0.20 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2vml h LEU 59 Cb 0.43 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2vml h LEU 59 CO 0.01 0.72 -0.29 0.49 -0.34 0.00 0.00 178.44 179.03 2vml n PHE 60 N -4.49 0.79 0.08 1.25 3.72 -0.75 -0.43 117.46 117.62 2vml n PHE 60 Ca 0.05 0.23 -0.20 0.00 -0.05 0.00 0.00 57.45 57.48 2vml n PHE 60 Cb 0.11 -0.83 -0.11 0.00 -0.94 0.00 0.00 39.48 37.71 2vml n PHE 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2vml h ALA 61 N 2.50 0.08 -0.16 4.37 0.00 -1.22 -3.29 119.26 121.53 2vml h ALA 61 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 54.91 54.06 2vml h ALA 61 Cb 0.75 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2vml h ALA 61 CO 0.00 0.72 -0.30 0.93 0.00 0.00 0.00 179.25 180.60 2vml h GLU 62 N 0.30 0.50 -2.83 0.00 5.08 -1.15 -3.39 114.58 113.08 2vml h GLU 62 Ca -0.16 -0.31 -0.62 0.00 -1.00 0.00 0.00 59.36 57.27 2vml h GLU 62 Cb 1.82 0.04 -0.42 0.00 0.50 0.00 0.00 28.75 30.69 2vml h GLU 62 CO 0.22 0.92 -0.56 1.04 -1.00 0.00 0.00 179.01 179.63 2vml n GLN 63 N -4.37 2.08 0.16 2.33 6.02 0.43 -4.91 117.38 119.11 2vml n GLN 63 Ca -0.06 -4.55 0.13 0.00 -0.01 0.00 0.00 57.00 52.51 2vml n GLN 63 Cb 0.48 -2.29 0.53 0.00 1.02 0.00 0.00 30.24 29.98 2vml n GLN 63 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2vml h THR 64 N 4.02 0.00 0.00 5.09 1.35 -1.77 -2.72 112.91 118.87 2vml h THR 64 Ca 0.16 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 2vml h THR 64 Cb 0.73 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2vml h THR 64 CO 0.76 0.00 -0.03 -2.24 -0.25 0.00 0.00 175.52 173.77 2vml h ASP 65 N 0.00 0.00 0.82 5.36 2.03 -1.91 -2.97 116.42 119.75 2vml h ASP 65 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 2vml h ASP 65 Cb 0.40 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.89 2vml h ASP 65 CO 0.00 0.03 -0.27 -0.07 -1.03 0.00 0.00 179.24 177.90 2vml h LEU 66 N 0.00 0.00 -3.25 0.15 3.38 -1.85 -3.05 115.31 110.68 2vml h LEU 66 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2vml h LEU 66 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2vml h LEU 66 CO 0.00 0.27 0.00 2.30 0.09 0.00 0.00 178.44 181.10 2vml n ILE 67 N -3.49 2.15 -4.10 1.22 -5.35 -1.12 -1.20 119.36 107.47 2vml n ILE 67 Ca -0.00 -1.60 -0.24 0.00 -0.27 0.00 0.00 62.75 60.64 2vml n ILE 67 Cb 0.43 -0.11 -0.05 0.00 -1.74 0.00 0.00 39.64 38.17 2vml n ILE 67 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2vml s ARG 68 N -2.46 2.92 0.18 6.28 0.52 -1.15 -4.93 118.95 120.30 2vml s ARG 68 Ca 0.43 -0.96 -0.33 0.00 -0.52 0.00 0.00 55.73 54.35 2vml s ARG 68 Cb 0.32 -2.61 -0.15 0.00 0.52 0.00 0.00 34.95 33.04 2vml s ARG 68 CO 0.13 0.44 1.30 -2.30 0.02 0.00 0.00 175.30 174.89 2vml n PRO 69 N -0.76 1.50 0.00 3.54 -0.02 -1.26 -0.36 135.00 137.64 2vml n PRO 69 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2vml n PRO 69 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2vml n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vml n GLY 70 N 2.26 3.00 3.87 -1.23 0.00 -1.26 -5.07 105.19 106.77 2vml n GLY 70 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2vml n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vml s GLY 71 N -2.33 1.82 0.00 -0.02 0.00 0.51 -4.99 107.32 102.31 2vml s GLY 71 Ca 0.00 -0.17 0.30 0.00 0.00 0.00 0.00 44.72 44.86 2vml s GLY 71 CO 0.00 0.05 2.03 -2.01 0.00 0.00 0.00 173.10 173.17 2vml n ASN 72 N -1.84 0.23 -1.10 1.64 2.85 -1.23 -2.51 115.26 113.30 2vml n ASN 72 Ca 0.04 -0.60 0.02 0.00 -0.11 0.00 0.00 54.58 53.92 2vml n ASN 72 Cb 0.54 -0.12 0.24 0.00 1.24 0.00 0.00 39.78 41.68 2vml n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2vml n ALA 73 N -1.02 3.64 -2.66 5.20 0.00 -0.34 -4.61 120.51 120.72 2vml n ALA 73 Ca 0.17 -2.62 -0.21 0.00 0.00 0.00 0.00 53.44 50.78 2vml n ALA 73 Cb 0.22 -0.78 -0.15 0.00 0.00 0.00 0.00 19.45 18.73 2vml n ALA 73 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2vml s TYR 74 N -3.00 1.16 0.00 0.00 5.04 -1.04 -3.36 117.35 116.13 2vml s TYR 74 Ca 0.44 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 2vml s TYR 74 Cb 0.38 -0.75 0.00 0.00 0.35 0.00 0.00 41.96 41.93 2vml s TYR 74 CO 0.06 -0.04 0.00 -0.35 -1.34 0.00 0.00 175.55 173.88 2vml n PRO 75 N 2.85 2.99 -0.22 4.97 -0.04 -1.26 -4.63 135.00 139.65 2vml n PRO 75 Ca -0.15 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.45 2vml n PRO 75 Cb 0.55 0.00 0.45 0.00 -0.04 0.00 0.00 33.50 34.46 2vml n PRO 75 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2vml h ASN 76 N 0.00 0.51 -0.66 3.54 2.35 -2.00 -1.89 115.58 117.43 2vml h ASN 76 Ca 0.00 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 2vml h ASN 76 Cb 0.00 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 2vml h ASN 76 CO 0.00 0.26 0.20 -0.09 -1.65 0.00 0.00 177.43 176.15 2vml h ARG 77 N 0.54 1.03 -0.22 0.81 2.43 -1.93 -0.81 114.38 116.23 2vml h ARG 77 Ca 0.41 -0.23 -0.19 0.00 -0.81 0.00 0.00 59.98 59.17 2vml h ARG 77 Cb 0.82 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2vml h ARG 77 CO -0.16 0.90 -0.59 0.00 -1.51 0.00 0.00 179.97 178.61 2vml h ARG 78 N 0.96 0.79 -0.24 0.20 3.08 -1.63 -2.18 114.38 115.36 2vml h ARG 78 Ca 0.21 -0.55 0.04 0.00 0.07 0.00 0.00 59.98 59.75 2vml h ARG 78 Cb 0.30 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2vml h ARG 78 CO -0.01 1.17 0.03 1.98 -1.07 0.00 0.00 179.97 182.07 2vml h MET 79 N 0.53 0.11 -0.43 0.04 4.05 -1.27 -0.06 114.93 117.90 2vml h MET 79 Ca -0.01 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.44 2vml h MET 79 Cb 1.20 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.94 2vml h MET 79 CO 0.13 0.07 0.20 0.00 0.23 0.00 0.00 176.91 177.53 2vml h ALA 80 N 1.19 0.53 -0.85 0.39 0.00 -1.17 -0.42 119.26 118.93 2vml h ALA 80 Ca 0.11 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2vml h ALA 80 Cb 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2vml h ALA 80 CO -0.16 -0.17 0.54 0.00 0.00 0.00 0.00 179.25 179.45 2vml h ALA 81 N 1.25 1.14 -0.02 0.00 0.00 -1.07 -0.66 119.26 119.90 2vml h ALA 81 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2vml h ALA 81 Cb 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2vml h ALA 81 CO -0.16 0.35 0.01 0.00 0.00 0.00 0.00 179.25 179.46 2vml h LEU 83 N -0.05 1.01 -0.51 0.00 3.38 -0.86 -2.38 115.31 115.89 2vml h LEU 83 Ca 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2vml h LEU 83 Cb 0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2vml h LEU 83 CO -0.00 0.79 0.29 -0.09 0.09 0.00 0.00 178.44 179.52 2vml h ARG 84 N 1.15 0.71 -0.86 1.13 2.43 -0.95 -2.38 114.38 115.62 2vml h ARG 84 Ca 0.30 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.43 2vml h ARG 84 Cb -0.01 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.35 2vml h ARG 84 CO -0.05 0.54 0.56 -0.44 -1.51 0.00 0.00 179.97 179.07 2vml h ASP 85 N 0.68 0.91 -0.47 -3.80 5.19 -0.98 -0.37 116.42 117.58 2vml h ASP 85 Ca 0.18 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.52 2vml h ASP 85 Cb 0.03 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 2vml h ASP 85 CO -0.03 0.62 0.06 0.24 -3.12 0.00 0.00 179.24 177.01 2vml h MET 86 N 1.05 0.80 -0.46 3.56 2.86 -1.15 -1.70 114.93 119.89 2vml h MET 86 Ca 0.34 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 2vml h MET 86 Cb 0.05 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2vml h MET 86 CO -0.10 0.81 0.10 1.49 1.06 0.00 0.00 176.91 180.26 2vml h GLU 87 N 0.66 0.75 -0.06 1.72 4.81 -1.07 -1.43 114.58 119.96 2vml h GLU 87 Ca 0.14 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2vml h GLU 87 Cb 0.42 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2vml h GLU 87 CO 0.01 0.75 -0.05 0.82 -0.73 0.00 0.00 179.01 179.82 2vml h ILE 88 N 0.62 0.86 -0.54 2.32 2.04 -0.96 -0.67 117.51 121.17 2vml h ILE 88 Ca 0.14 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 2vml h ILE 88 Cb 0.35 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2vml h ILE 88 CO 0.00 0.00 0.12 0.40 0.00 0.00 0.00 178.15 178.68 2vml h ILE 89 N -0.06 1.25 -0.29 -0.67 2.04 -1.26 -1.74 117.51 116.77 2vml h ILE 89 Ca 0.04 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 2vml h ILE 89 Cb 0.11 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2vml h ILE 89 CO -0.09 0.33 -0.02 0.25 0.00 0.00 0.00 178.15 178.62 2vml h LEU 90 N 0.77 0.41 -0.14 1.44 5.85 -1.16 -0.49 115.31 122.00 2vml h LEU 90 Ca 0.17 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2vml h LEU 90 Cb 0.36 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2vml h LEU 90 CO 0.00 0.49 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.39 2vml h ARG 91 N 0.43 0.33 -0.06 1.25 2.43 -0.73 -2.44 114.38 115.59 2vml h ARG 91 Ca 0.09 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 2vml h ARG 91 Cb 0.31 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2vml h ARG 91 CO 0.01 0.69 -0.42 1.88 -1.51 0.00 0.00 179.97 180.62 2vml h TYR 92 N -0.03 0.16 -0.27 2.20 0.05 -1.18 -2.05 116.97 115.85 2vml h TYR 92 Ca 0.03 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2vml h TYR 92 Cb 0.62 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 2vml h TYR 92 CO 0.08 0.54 0.15 0.28 -1.05 0.00 0.00 178.16 178.16 2vml h VAL 93 N 0.12 1.12 -0.26 -2.88 2.07 -1.09 -2.15 116.25 113.17 2vml h VAL 93 Ca 0.01 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 2vml h VAL 93 Cb 0.80 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2vml h VAL 93 CO 0.06 0.11 -0.23 0.77 0.02 0.00 0.00 177.57 178.31 2vml h SER 94 N 0.32 0.48 -0.29 0.57 4.64 -1.27 -0.95 113.55 117.06 2vml h SER 94 Ca 0.09 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2vml h SER 94 Cb 0.05 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 2vml h SER 94 CO -0.02 0.71 0.16 1.88 -0.87 0.00 0.00 176.83 178.70 2vml h TYR 95 N 0.43 0.31 -0.68 4.77 0.05 -1.30 -2.14 116.97 118.40 2vml h TYR 95 Ca 0.07 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.88 2vml h TYR 95 Cb 0.64 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 38.24 2vml h TYR 95 CO 0.02 0.18 0.45 0.00 -1.05 0.00 0.00 178.16 177.76 2vml h ALA 96 N 1.13 1.56 -0.23 3.88 0.00 -0.95 -1.62 119.26 123.03 2vml h ALA 96 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2vml h ALA 96 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2vml h ALA 96 CO -0.06 0.39 -0.31 1.25 0.00 0.00 0.00 179.25 180.52 2vml h LEU 97 N 0.88 0.48 -0.27 0.00 5.85 -0.90 0.60 115.31 121.95 2vml h LEU 97 Ca 0.26 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2vml h LEU 97 Cb -0.02 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2vml h LEU 97 CO -0.07 0.77 -0.27 0.25 -0.34 0.00 0.00 178.44 178.79 2vml h LEU 98 N 0.41 0.71 -1.17 2.25 5.85 -1.12 -3.28 115.31 118.96 2vml h LEU 98 Ca 0.05 -0.47 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 2vml h LEU 98 Cb 0.75 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2vml h LEU 98 CO 0.06 1.03 -0.17 0.00 -0.34 0.00 0.00 178.44 179.02 2vml h ALA 99 N 0.70 1.31 -0.60 1.25 0.00 -1.21 -3.47 119.26 117.23 2vml h ALA 99 Ca 0.04 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2vml h ALA 99 Cb 0.83 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2vml h ALA 99 CO 0.07 0.46 -0.14 0.41 0.00 0.00 0.00 179.25 180.05 2vml n GLY 100 N -0.64 0.50 3.50 0.00 0.00 0.17 -1.68 105.19 107.02 2vml n GLY 100 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 2vml n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vml s ASP 101 N -2.82 -0.65 0.00 1.61 2.15 -0.97 -4.13 116.67 111.85 2vml s ASP 101 Ca 0.00 1.21 0.30 0.00 0.43 0.00 0.00 52.55 54.50 2vml s ASP 101 Cb 0.00 1.20 1.54 0.00 -0.30 0.00 0.00 42.92 45.36 2vml s ASP 101 CO 0.00 -0.21 2.03 0.00 -0.17 0.00 0.00 175.17 176.82 2vml n ALA 102 N 3.08 2.66 -0.26 3.66 0.00 -1.26 -4.35 120.51 124.05 2vml n ALA 102 Ca -0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 53.44 53.00 2vml n ALA 102 Cb 0.56 -1.39 0.16 0.00 0.00 0.00 0.00 19.45 18.78 2vml n ALA 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2vml h SER 103 N 0.69 0.98 -0.73 0.00 4.64 -1.96 -0.48 113.55 116.68 2vml h SER 103 Ca 0.00 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 2vml h SER 103 Cb 0.21 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 2vml h SER 103 CO 0.00 0.79 0.25 1.62 -0.87 0.00 0.00 176.83 178.62 2vml h VAL 104 N 1.09 1.26 0.16 0.95 3.04 -1.82 0.28 116.25 121.21 2vml h VAL 104 Ca 0.28 -0.86 -0.01 0.00 -1.01 0.00 0.00 66.70 65.10 2vml h VAL 104 Cb 0.04 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 29.76 2vml h VAL 104 CO -0.04 0.34 -0.08 0.25 -1.01 0.00 0.00 177.57 177.03 2vml h LEU 105 N 1.07 -0.18 -0.17 3.16 5.85 -1.66 -1.59 115.31 121.78 2vml h LEU 105 Ca 0.24 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2vml h LEU 105 Cb 0.27 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2vml h LEU 105 CO -0.01 -0.00 0.04 -0.08 -0.34 0.00 0.00 178.44 178.04 2vml h GLU 106 N -0.36 0.11 -0.07 1.25 4.57 -0.94 -1.34 114.58 117.80 2vml h GLU 106 Ca -0.02 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 57.97 2vml h GLU 106 Cb 0.28 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2vml h GLU 106 CO 0.04 0.07 -0.69 -0.44 -1.18 0.00 0.00 179.01 176.81 2vml h ASP 107 N 0.11 0.72 -0.09 1.04 3.32 -0.47 -1.36 116.42 119.69 2vml h ASP 107 Ca 0.08 -0.69 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2vml h ASP 107 Cb 0.07 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2vml h ASP 107 CO -0.10 1.30 0.00 0.54 -1.72 0.00 0.00 179.24 179.26 2vml n ARG 108 N -4.10 2.05 0.11 3.56 1.74 -0.60 -4.66 116.66 114.76 2vml n ARG 108 Ca -0.09 -1.86 0.00 0.00 -0.77 0.00 0.00 57.85 55.13 2vml n ARG 108 Cb 0.70 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 2vml n ARG 108 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vml h LEU 110 N 0.00 0.00 -9.05 0.00 3.38 -1.27 -3.41 115.31 104.97 2vml h LEU 110 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2vml h LEU 110 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2vml h LEU 110 CO 0.00 0.88 1.44 0.21 0.09 0.00 0.00 178.44 181.06 2vml s ASN 111 N -6.64 5.63 0.00 -0.43 2.47 -0.52 -1.98 114.94 113.47 2vml s ASN 111 Ca 0.02 2.01 0.00 0.00 0.42 0.00 0.00 52.86 55.31 2vml s ASN 111 Cb 0.09 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 2vml s ASN 111 CO 0.80 -1.80 0.00 0.61 -3.72 0.00 0.00 177.10 172.99 2vml n GLY 112 N 5.54 0.73 0.22 1.21 0.00 -1.26 -4.95 105.19 106.68 2vml n GLY 112 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 2vml n GLY 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2vml h LEU 113 N 0.00 0.92 -0.94 0.99 5.85 -1.63 -2.71 115.31 117.79 2vml h LEU 113 Ca 0.00 -0.63 0.06 0.00 0.84 0.00 0.00 57.88 58.15 2vml h LEU 113 Cb 0.00 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.70 2vml h LEU 113 CO 0.00 1.40 0.60 0.50 -0.34 0.00 0.00 178.44 180.60 2vml h LYS 114 N 0.50 1.08 -0.50 1.25 3.64 -1.78 -1.66 116.57 119.10 2vml h LYS 114 Ca -0.05 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 2vml h LYS 114 Cb 1.38 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2vml h LYS 114 CO 0.16 0.71 0.13 0.93 -2.27 0.00 0.00 179.45 179.11 2vml h GLU 115 N 1.11 0.80 -0.26 1.90 3.07 -1.91 -0.54 114.58 118.74 2vml h GLU 115 Ca 0.40 -0.19 0.05 0.00 -0.50 0.00 0.00 59.36 59.12 2vml h GLU 115 Cb 0.13 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 27.88 2vml h GLU 115 CO -0.16 0.76 -0.06 1.15 -1.40 0.00 0.00 179.01 179.30 2vml h THR 116 N 0.69 0.74 -0.68 1.13 2.02 -1.15 -1.46 112.91 114.20 2vml h THR 116 Ca 0.16 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 2vml h THR 116 Cb 0.31 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2vml h THR 116 CO -0.00 0.00 0.30 1.88 0.37 0.00 0.00 175.52 178.07 2vml h TYR 117 N -0.00 1.01 -0.54 3.16 0.05 -0.96 -1.82 116.97 117.87 2vml h TYR 117 Ca 0.12 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 2vml h TYR 117 Cb 0.19 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 2vml h TYR 117 CO -0.26 0.77 0.23 0.28 -1.05 0.00 0.00 178.16 178.13 2vml h VAL 118 N 0.96 1.21 -0.84 -2.88 2.07 -0.92 -0.98 116.25 114.88 2vml h VAL 118 Ca 0.23 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.12 2vml h VAL 118 Cb 0.16 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2vml h VAL 118 CO -0.02 0.25 0.56 0.00 0.02 0.00 0.00 177.57 178.37 2vml h ALA 119 N 1.07 1.42 0.00 1.67 0.00 -1.07 -2.65 119.26 119.70 2vml h ALA 119 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2vml h ALA 119 Cb 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2vml h ALA 119 CO -0.02 0.53 0.00 -0.07 0.00 0.00 0.00 179.25 179.69 2vml h LEU 120 N 1.11 0.00 0.12 0.00 3.38 -0.91 -3.48 115.31 115.54 2vml h LEU 120 Ca 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 2vml h LEU 120 Cb -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2vml h LEU 120 CO -0.07 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.02 2vml n GLY 121 N 1.07 0.55 3.71 0.83 0.00 -0.49 -5.04 105.19 105.82 2vml n GLY 121 Ca 0.04 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 2vml n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vml s THR 122 N -2.09 4.87 -0.45 2.61 2.01 -0.51 -4.96 115.64 117.12 2vml s THR 122 Ca 0.00 2.04 -0.28 0.00 0.31 0.00 0.00 61.69 63.76 2vml s THR 122 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.20 2vml s THR 122 CO 0.00 0.16 1.56 -2.16 -0.69 0.00 0.00 174.62 173.50 2vml s PRO 123 N 0.99 3.35 0.31 4.92 0.04 -1.26 -4.45 135.00 138.90 2vml s PRO 123 Ca 0.52 0.92 0.02 0.00 0.04 0.00 0.00 61.00 62.50 2vml s PRO 123 Cb -0.21 -4.13 0.52 0.00 0.04 0.00 0.00 34.50 30.72 2vml s PRO 123 CO 0.28 -1.85 1.85 1.79 0.04 0.00 0.00 177.00 179.10 2vml h THR 124 N 6.58 1.21 0.00 1.26 1.35 -1.92 -2.18 112.91 119.21 2vml h THR 124 Ca -0.29 -0.83 -0.06 0.00 -0.55 0.00 0.00 66.41 64.69 2vml h THR 124 Cb 1.12 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 2vml h THR 124 CO 1.11 0.29 -0.27 0.03 -0.25 0.00 0.00 175.52 176.42 2vml h ARG 125 N 0.59 0.00 -0.07 4.72 3.08 -1.90 -0.51 114.38 120.29 2vml h ARG 125 Ca 0.13 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.98 2vml h ARG 125 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 2vml h ARG 125 CO 0.01 0.27 -0.79 0.77 -1.07 0.00 0.00 179.97 179.17 2vml h SER 126 N 0.00 0.58 -0.17 7.04 0.02 -1.81 -1.74 113.55 117.46 2vml h SER 126 Ca -0.00 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 2vml h SER 126 Cb 0.52 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2vml h SER 126 CO 0.04 1.16 0.05 0.58 -1.14 0.00 0.00 176.83 177.51 2vml h VAL 127 N 0.31 1.20 -0.73 2.27 2.07 -1.08 -2.09 116.25 118.19 2vml h VAL 127 Ca -0.05 -0.62 0.11 0.00 0.82 0.00 0.00 66.70 66.96 2vml h VAL 127 Cb 1.38 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 2vml h VAL 127 CO 0.14 0.19 0.35 0.00 0.02 0.00 0.00 177.57 178.27 2vml h ALA 128 N 0.86 1.03 -0.84 1.67 0.00 -1.12 -1.52 119.26 119.33 2vml h ALA 128 Ca 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2vml h ALA 128 Cb 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2vml h ALA 128 CO -0.00 -0.09 0.44 -0.09 0.00 0.00 0.00 179.25 179.51 2vml h ARG 129 N 0.56 1.19 -0.58 0.00 9.65 -1.16 -1.05 114.38 123.00 2vml h ARG 129 Ca 0.38 -0.15 0.06 0.00 -1.10 0.00 0.00 59.98 59.16 2vml h ARG 129 Cb 0.46 -0.23 -0.05 0.00 -1.39 0.00 0.00 29.97 28.76 2vml h ARG 129 CO -0.31 0.89 0.29 0.00 2.80 0.00 0.00 179.97 183.64 2vml h ALA 130 N 1.24 0.75 -0.77 2.80 0.00 -0.60 -0.58 119.26 122.10 2vml h ALA 130 Ca 0.29 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2vml h ALA 130 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2vml h ALA 130 CO -0.04 -0.06 0.32 0.28 0.00 0.00 0.00 179.25 179.74 2vml h VAL 131 N 0.54 1.26 -0.40 0.00 2.07 -0.73 -0.72 116.25 118.26 2vml h VAL 131 Ca 0.26 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 2vml h VAL 131 Cb 0.20 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2vml h VAL 131 CO -0.19 0.32 -0.00 -0.61 0.02 0.00 0.00 177.57 177.11 2vml h GLN 132 N 1.11 0.72 -0.68 1.57 5.75 -0.81 -0.64 115.11 122.12 2vml h GLN 132 Ca 0.26 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2vml h GLN 132 Cb 0.20 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 2vml h GLN 132 CO -0.02 0.80 0.33 -0.07 -2.65 0.00 0.00 178.83 177.22 2vml h LEU 133 N 0.55 0.87 -0.62 -2.39 3.38 -0.96 -2.55 115.31 113.58 2vml h LEU 133 Ca 0.11 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2vml h LEU 133 Cb 0.48 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2vml h LEU 133 CO 0.02 0.73 0.02 0.24 0.09 0.00 0.00 178.44 179.54 2vml h MET 134 N 0.96 1.08 -0.56 1.13 2.86 -0.87 -2.57 114.93 116.95 2vml h MET 134 Ca 0.24 -0.33 0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2vml h MET 134 Cb 0.09 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 2vml h MET 134 CO -0.03 1.04 0.24 -0.22 1.06 0.00 0.00 176.91 179.00 2vml h LYS 135 N 0.98 0.43 -0.26 1.72 3.64 -0.99 0.23 116.57 122.32 2vml h LYS 135 Ca 0.18 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2vml h LYS 135 Cb 0.54 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2vml h LYS 135 CO 0.03 0.28 0.10 0.93 -2.27 0.00 0.00 179.45 178.52 2vml h GLU 136 N 0.44 0.39 -0.32 1.90 5.08 -1.36 -0.99 114.58 119.72 2vml h GLU 136 Ca 0.27 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 2vml h GLU 136 Cb 0.28 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2vml h GLU 136 CO -0.24 0.42 -0.34 1.15 -1.00 0.00 0.00 179.01 179.00 2vml h THR 137 N 0.27 1.29 -0.19 1.13 2.02 -1.33 -1.95 112.91 114.14 2vml h THR 137 Ca 0.09 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 2vml h THR 137 Cb 0.18 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2vml h THR 137 CO -0.01 0.49 0.11 0.00 0.37 0.00 0.00 175.52 176.49 2vml h ALA 138 N 0.72 0.25 -0.78 6.16 0.00 -0.49 -2.19 119.26 122.93 2vml h ALA 138 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2vml h ALA 138 Cb 0.92 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2vml h ALA 138 CO 0.08 -0.24 0.40 0.82 0.00 0.00 0.00 179.25 180.31 2vml h ILE 139 N 0.23 1.24 -0.66 0.00 2.04 -1.21 -1.26 117.51 117.88 2vml h ILE 139 Ca 0.07 -0.62 0.10 0.00 1.00 0.00 0.00 64.86 65.41 2vml h ILE 139 Cb 0.03 0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 36.24 2vml h ILE 139 CO -0.01 0.27 0.28 1.23 0.00 0.00 0.00 178.15 179.91 2vml h GLY 140 N 1.13 0.96 1.29 5.37 0.00 -1.04 -1.67 103.07 109.11 2vml h GLY 140 Ca 0.27 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 2vml h GLY 140 CO -0.04 -0.01 -0.28 -0.97 0.00 0.00 0.00 176.54 175.24 2vml h TYR 141 N 0.47 0.93 -0.90 5.60 0.05 -0.92 -0.85 116.97 121.35 2vml h TYR 141 Ca 0.34 -0.24 0.04 0.00 0.05 0.00 0.00 58.73 58.92 2vml h TYR 141 Cb 0.42 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.90 2vml h TYR 141 CO -0.15 0.99 0.59 0.28 -1.05 0.00 0.00 178.16 178.82 2vml h VAL 142 N 0.69 1.15 0.00 -2.88 2.07 -0.97 -2.26 116.25 114.05 2vml h VAL 142 Ca 0.08 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2vml h VAL 142 Cb 0.82 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2vml h VAL 142 CO 0.07 0.20 -0.27 0.59 0.02 0.00 0.00 177.57 178.19 2vml n ASN 143 N -4.45 0.47 -2.57 0.57 3.02 -0.65 -4.38 115.26 107.27 2vml n ASN 143 Ca 0.12 0.25 -0.22 0.00 -0.03 0.00 0.00 54.58 54.70 2vml n ASN 143 Cb 0.11 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2vml n ASN 143 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2vml n SER 144 N -1.82 3.81 -3.49 6.41 7.64 -0.34 -5.08 113.62 120.75 2vml n SER 144 Ca 0.05 -3.46 -0.24 0.00 1.01 0.00 0.00 58.87 56.23 2vml n SER 144 Cb 0.38 -0.49 0.18 0.00 -1.01 0.00 0.00 64.21 63.28 2vml n SER 144 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2vml n PRO 145 N -0.34 -1.73 -4.04 1.43 -0.04 -1.19 -4.85 135.00 124.23 2vml n PRO 145 Ca 0.31 -1.60 -0.32 0.00 -0.04 0.00 0.00 63.50 61.85 2vml n PRO 145 Cb 0.68 -1.22 -0.15 0.00 -0.04 0.00 0.00 33.50 32.77 2vml n PRO 145 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2vml s SER 146 N -4.60 4.20 -0.79 3.54 0.15 -1.26 -4.74 113.70 110.20 2vml s SER 146 Ca 0.61 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2vml s SER 146 Cb -0.03 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 2vml s SER 146 CO 0.44 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2vml n GLY 147 N 4.51 0.63 3.81 9.45 0.00 -1.26 -5.03 105.19 117.30 2vml n GLY 147 Ca -0.14 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 2vml n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vml s VAL 148 N -2.34 4.49 0.23 1.61 1.01 -1.26 -5.02 120.40 119.12 2vml s VAL 148 Ca 0.00 1.37 -0.32 0.00 0.00 0.00 0.00 61.98 63.03 2vml s VAL 148 Cb 0.00 -3.82 -0.13 0.00 0.00 0.00 0.00 36.38 32.44 2vml s VAL 148 CO 0.00 0.06 1.60 0.41 0.00 0.00 0.00 175.10 177.17 2vml n THR 149 N 0.32 0.49 -2.18 3.92 -1.04 -1.26 -4.93 114.28 109.61 2vml n THR 149 Ca 0.01 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.05 61.49 2vml n THR 149 Cb 0.52 -1.80 -0.03 0.00 -1.82 0.00 0.00 70.33 67.20 2vml n THR 149 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2vml s ARG 150 N 0.30 4.40 0.00 -2.82 1.81 -1.26 -4.98 118.95 116.40 2vml s ARG 150 Ca 0.71 2.14 0.00 0.00 -1.72 0.00 0.00 55.73 56.86 2vml s ARG 150 Cb -0.56 -3.11 0.00 0.00 -0.45 0.00 0.00 34.95 30.83 2vml s ARG 150 CO 0.42 -0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.29 2vml n GLY 151 N 1.20 -1.14 3.50 -3.53 0.00 -1.26 -5.13 105.19 98.82 2vml n GLY 151 Ca 0.01 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 2vml n GLY 151 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vml s ASP 152 N -4.00 5.78 -0.15 1.61 2.15 -1.26 -4.93 116.67 115.87 2vml s ASP 152 Ca 0.00 -0.39 0.18 0.00 0.43 0.00 0.00 52.55 52.77 2vml s ASP 152 Cb 0.00 -2.06 0.41 0.00 -0.30 0.00 0.00 42.92 40.97 2vml s ASP 152 CO 0.00 -0.18 1.29 0.00 -0.17 0.00 0.00 175.17 176.11 2vml h SER 154 N 0.90 0.82 -0.44 0.00 4.64 -1.99 -0.35 113.55 117.14 2vml h SER 154 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2vml h SER 154 Cb 1.22 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 2vml h SER 154 CO 0.11 0.52 0.29 0.00 -0.87 0.00 0.00 176.83 176.88 2vml h ALA 155 N 1.41 0.55 -0.48 5.18 0.00 -1.99 0.57 119.26 124.51 2vml h ALA 155 Ca 0.38 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 2vml h ALA 155 Cb 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2vml h ALA 155 CO -0.18 0.01 -0.07 -0.07 0.00 0.00 0.00 179.25 178.93 2vml h LEU 156 N 0.59 0.89 -0.60 0.00 3.38 -1.78 -1.57 115.31 116.22 2vml h LEU 156 Ca 0.16 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2vml h LEU 156 Cb -0.07 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2vml h LEU 156 CO -0.03 1.02 0.37 0.58 0.09 0.00 0.00 178.44 180.47 2vml h VAL 157 N 0.74 1.07 -0.58 1.22 2.07 -0.96 0.10 116.25 119.90 2vml h VAL 157 Ca 0.13 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 2vml h VAL 157 Cb 0.61 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2vml h VAL 157 CO 0.04 0.13 0.17 0.78 0.02 0.00 0.00 177.57 178.71 2vml h ASN 158 N 0.72 0.82 -0.28 0.57 2.35 -0.70 -1.62 115.58 117.44 2vml h ASN 158 Ca 0.24 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 2vml h ASN 158 Cb 0.03 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2vml h ASN 158 CO -0.10 0.78 -0.11 -0.08 -1.65 0.00 0.00 177.43 176.27 2vml h GLU 159 N 0.86 0.57 -0.44 0.81 4.81 -0.87 -2.26 114.58 118.06 2vml h GLU 159 Ca 0.19 -0.24 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2vml h GLU 159 Cb 0.27 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2vml h GLU 159 CO -0.01 0.80 0.21 0.00 -0.73 0.00 0.00 179.01 179.28 2vml h ALA 160 N 0.76 0.55 -0.77 2.92 0.00 -0.87 -2.27 119.26 119.57 2vml h ALA 160 Ca 0.07 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2vml h ALA 160 Cb 0.62 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2vml h ALA 160 CO 0.04 -0.15 0.42 0.00 0.00 0.00 0.00 179.25 179.55 2vml h ALA 161 N 1.24 1.09 -0.96 0.00 0.00 -1.20 -2.11 119.26 117.33 2vml h ALA 161 Ca 0.19 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2vml h ALA 161 Cb 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2vml h ALA 161 CO -0.15 0.02 0.63 1.79 0.00 0.00 0.00 179.25 181.54 2vml h THR 162 N 0.70 1.14 -0.27 0.00 1.35 -0.82 0.22 112.91 115.22 2vml h THR 162 Ca 0.38 -0.40 -0.06 0.00 -0.55 0.00 0.00 66.41 65.77 2vml h THR 162 Cb 0.38 -0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.64 2vml h THR 162 CO -0.26 0.22 -0.07 1.88 -0.25 0.00 0.00 175.52 177.03 2vml h TYR 163 N 1.18 0.58 -0.34 4.73 0.05 -1.14 0.30 116.97 122.34 2vml h TYR 163 Ca 0.39 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 59.04 2vml h TYR 163 Cb 0.06 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 2vml h TYR 163 CO -0.00 0.73 0.20 0.74 -1.05 0.00 0.00 178.16 178.78 2vml h PHE 164 N 0.27 0.46 -0.24 4.88 0.04 -1.09 -2.32 116.94 118.94 2vml h PHE 164 Ca 0.07 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 2vml h PHE 164 Cb 0.55 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2vml h PHE 164 CO 0.05 0.35 -0.12 -0.44 -0.60 0.00 0.00 178.31 177.55 2vml h ASP 165 N 0.43 0.37 -0.45 2.17 3.32 -0.40 -1.51 116.42 120.36 2vml h ASP 165 Ca 0.12 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2vml h ASP 165 Cb 0.03 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2vml h ASP 165 CO -0.02 0.53 0.27 0.11 -1.72 0.00 0.00 179.24 178.41 2vml h LYS 166 N 0.36 0.60 -0.02 3.56 1.57 -0.23 -1.69 116.57 120.73 2vml h LYS 166 Ca 0.07 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2vml h LYS 166 Cb 0.44 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2vml h LYS 166 CO 0.03 0.44 0.01 0.00 -0.57 0.00 0.00 179.45 179.36 2vml h ALA 167 N 1.12 0.03 -0.34 3.86 0.00 -0.95 -0.70 119.26 122.29 2vml h ALA 167 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2vml h ALA 167 Cb -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2vml h ALA 167 CO -0.03 -0.45 0.20 0.00 0.00 0.00 0.00 179.25 178.97 2vml h ALA 168 N 0.96 0.43 -0.32 0.00 0.00 -1.28 -1.77 119.26 117.28 2vml h ALA 168 Ca 0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2vml h ALA 168 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2vml h ALA 168 CO -0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 179.25 178.99 2vml h ALA 169 N 1.08 1.06 -0.21 0.00 0.00 -1.26 0.63 119.26 120.57 2vml h ALA 169 Ca 0.12 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2vml h ALA 169 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2vml h ALA 169 CO -0.02 0.57 -0.33 1.03 0.00 0.00 0.00 179.25 180.50 2vml h SER 170 N 0.53 0.44 0.06 0.00 0.87 -0.88 -3.32 113.55 111.25 2vml h SER 170 Ca 0.08 -0.17 -0.19 0.00 -1.23 0.00 0.00 61.79 60.29 2vml h SER 170 Cb 0.63 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2vml h SER 170 CO 0.04 0.74 -0.97 0.40 -0.53 0.00 0.00 176.83 176.52 2vml h ILE 171 N 0.37 1.24 0.00 2.23 2.04 -1.14 -3.40 117.51 118.84 2vml h ILE 171 Ca 0.04 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.56 2vml h ILE 171 Cb 0.76 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 2vml h ILE 171 CO 0.06 0.58 0.00 0.00 0.00 0.00 0.00 178.15 178.79