#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 2.45 0.51 2.12 -1.52 -1.26 -5.07 119.66 116.89 2vml s GLN 2 Ca 0.00 -1.11 0.00 0.00 -1.95 0.00 0.00 55.36 52.30 2vml s GLN 2 Cb 0.00 -2.37 0.00 0.00 -0.22 0.00 0.00 33.01 30.42 2vml s GLN 2 CO 0.00 0.45 0.00 -0.40 -0.25 0.00 0.00 175.29 175.09 2vml n ASP 3 N -0.22 3.41 -0.24 5.90 5.68 -1.26 -4.63 116.55 125.19 2vml n ASP 3 Ca -0.09 -3.23 0.09 0.00 -0.50 0.00 0.00 54.79 51.06 2vml n ASP 3 Cb 0.55 0.35 0.34 0.00 -1.14 0.00 0.00 41.12 41.23 2vml n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2vml h ALA 4 N 1.25 1.73 -0.09 2.12 0.00 -1.49 -0.53 119.26 122.26 2vml h ALA 4 Ca -0.42 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 2vml h ALA 4 Cb 1.28 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2vml h ALA 4 CO 0.70 0.09 -0.77 0.74 0.00 0.00 0.00 179.25 180.02 2vml h PHE 5 N 0.77 0.95 -0.47 0.00 0.04 -1.94 -3.02 116.94 113.27 2vml h PHE 5 Ca 0.39 -0.45 -0.13 0.00 2.80 0.00 0.00 57.97 60.58 2vml h PHE 5 Cb 0.46 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 2vml h PHE 5 CO -0.00 1.27 -0.22 1.15 -0.60 0.00 0.00 178.31 179.91 2vml h THR 6 N 0.35 1.27 -0.67 -1.55 2.02 -1.90 -2.24 112.91 110.20 2vml h THR 6 Ca -0.07 -1.38 0.05 0.00 0.77 0.00 0.00 66.41 65.77 2vml h THR 6 Cb 1.42 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.93 2vml h THR 6 CO 0.16 0.48 0.39 0.50 0.37 0.00 0.00 175.52 177.41 2vml h LYS 7 N 0.83 0.71 -0.40 6.66 3.64 -1.14 -1.28 116.57 125.59 2vml h LYS 7 Ca 0.11 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2vml h LYS 7 Cb 0.80 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2vml h LYS 7 CO 0.07 0.47 0.11 0.00 -2.27 0.00 0.00 179.45 177.83 2vml h ALA 8 N 1.33 0.53 -0.62 5.00 0.00 -1.38 -2.80 119.26 121.31 2vml h ALA 8 Ca 0.29 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2vml h ALA 8 Cb 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2vml h ALA 8 CO -0.15 0.19 0.39 0.82 0.00 0.00 0.00 179.25 180.50 2vml h ILE 9 N 0.51 1.10 -0.51 0.00 2.04 -1.15 -0.41 117.51 119.08 2vml h ILE 9 Ca 0.13 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.77 2vml h ILE 9 Cb 0.29 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 2vml h ILE 9 CO -0.00 0.14 0.26 0.58 0.00 0.00 0.00 178.15 179.13 2vml h VAL 10 N 0.77 0.97 -0.30 1.67 2.07 -1.16 -0.89 116.25 119.37 2vml h VAL 10 Ca 0.24 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 67.43 2vml h VAL 10 Cb -0.01 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2vml h VAL 10 CO -0.09 0.09 -0.41 0.00 0.02 0.00 0.00 177.57 177.18 2vml h ALA 11 N 1.27 0.46 -0.39 1.67 0.00 -1.22 -2.30 119.26 118.75 2vml h ALA 11 Ca 0.22 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2vml h ALA 11 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2vml h ALA 11 CO -0.15 0.57 0.07 0.00 0.00 0.00 0.00 179.25 179.74 2vml h ALA 12 N 0.70 1.38 -0.36 0.00 0.00 -0.92 -2.90 119.26 117.17 2vml h ALA 12 Ca 0.03 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2vml h ALA 12 Cb 1.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2vml h ALA 12 CO 0.10 0.44 -0.30 0.22 0.00 0.00 0.00 179.25 179.70 2vml h ASP 13 N 0.57 0.80 0.11 0.00 3.58 -0.92 -0.46 116.42 120.11 2vml h ASP 13 Ca 0.13 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.24 2vml h ASP 13 Cb 0.27 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 2vml h ASP 13 CO 0.00 1.05 -0.09 -0.07 -2.88 0.00 0.00 179.24 177.25 2vml h LEU 14 N 0.65 0.00 -0.14 2.28 3.38 -1.22 0.82 115.31 121.08 2vml h LEU 14 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2vml h LEU 14 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2vml h LEU 14 CO 0.07 0.09 -0.13 0.54 0.09 0.00 0.00 178.44 179.10 2vml n ARG 15 N -4.26 0.46 -1.84 1.13 1.74 -1.03 -4.93 116.66 107.92 2vml n ARG 15 Ca -0.03 -0.14 -0.11 0.00 -0.77 0.00 0.00 57.85 56.80 2vml n ARG 15 Cb 0.17 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.35 0.47 3.45 -0.13 0.00 0.28 -5.00 105.19 105.60 2vml n GLY 16 Ca 0.12 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.66 3.68 0.73 1.61 0.01 -0.22 -5.00 113.70 111.84 2vml s SER 17 Ca 0.00 -0.59 -0.15 0.00 1.31 0.00 0.00 55.95 56.52 2vml s SER 17 Cb 0.00 -0.46 0.04 0.00 0.21 0.00 0.00 66.02 65.81 2vml s SER 17 CO 0.00 0.20 1.22 -0.36 0.41 0.00 0.00 173.24 174.70 2vml s PHE 18 N -1.06 2.02 0.35 2.43 0.08 -1.26 -4.27 117.98 116.28 2vml s PHE 18 Ca 0.16 1.60 -0.29 0.00 0.12 0.00 0.00 56.93 58.52 2vml s PHE 18 Cb -0.10 -3.50 -0.11 0.00 -0.57 0.00 0.00 43.02 38.74 2vml s PHE 18 CO 0.08 -2.67 1.50 1.28 -0.10 0.00 0.00 175.22 175.30 2vml n LEU 19 N -2.71 4.57 -4.79 -0.37 4.77 -1.26 -4.98 117.00 112.23 2vml n LEU 19 Ca 0.14 1.21 -0.32 0.00 -0.03 0.00 0.00 56.01 57.00 2vml n LEU 19 Cb 0.50 -1.60 0.04 0.00 -2.33 0.00 0.00 43.42 40.03 2vml n LEU 19 CO 0.48 0.10 0.72 -0.94 -1.33 0.00 0.00 177.39 176.41 2vml s SER 20 N 0.01 5.32 0.51 -1.43 1.04 -1.26 -4.87 113.70 113.02 2vml s SER 20 Ca 0.56 1.82 0.26 0.00 0.48 0.00 0.00 55.95 59.07 2vml s SER 20 Cb -0.49 -2.53 1.36 0.00 0.10 0.00 0.00 66.02 64.46 2vml s SER 20 CO 0.60 -1.48 1.94 -0.33 0.98 0.00 0.00 173.24 174.95 2vml h GLU 21 N -0.17 0.08 -0.01 4.02 4.39 -1.98 -0.40 114.58 120.50 2vml h GLU 21 Ca -0.46 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.24 2vml h GLU 21 Cb 1.23 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2vml h GLU 21 CO 0.55 0.05 0.01 0.37 -1.16 0.00 0.00 179.01 178.83 2vml h GLN 22 N 0.08 0.02 -0.58 2.33 -0.00 -1.98 -1.28 115.11 113.70 2vml h GLN 22 Ca 0.34 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.93 2vml h GLN 22 Cb 1.23 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.68 2vml h GLN 22 CO -0.03 0.20 0.16 0.93 0.00 0.00 0.00 178.83 180.08 2vml h GLU 23 N -0.16 0.92 -0.42 1.69 5.08 -1.86 -1.01 114.58 118.82 2vml h GLU 23 Ca 0.00 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 2vml h GLU 23 Cb 0.18 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2vml h GLU 23 CO -0.00 0.85 0.06 -0.07 -1.00 0.00 0.00 179.01 178.85 2vml h LEU 24 N 0.83 0.68 -1.05 1.33 3.38 -1.11 -1.89 115.31 117.50 2vml h LEU 24 Ca 0.18 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2vml h LEU 24 Cb 0.33 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2vml h LEU 24 CO -0.00 0.78 0.64 -1.13 0.09 0.00 0.00 178.44 178.81 2vml h ASN 25 N 0.56 1.04 -0.77 -0.43 -1.24 -1.14 0.47 115.58 114.08 2vml h ASN 25 Ca 0.13 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.08 2vml h ASN 25 Cb 0.39 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 2vml h ASN 25 CO 0.01 0.70 0.29 1.56 -1.29 0.00 0.00 177.43 178.70 2vml h GLN 26 N 1.20 1.16 -0.08 6.67 1.08 -0.82 -2.50 115.11 121.83 2vml h GLN 26 Ca 0.40 -0.22 -0.21 0.00 -1.45 0.00 0.00 58.65 57.17 2vml h GLN 26 Cb 0.06 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2vml h GLN 26 CO -0.13 0.95 -0.80 -0.07 -0.95 0.00 0.00 178.83 177.83 2vml h LEU 27 N 1.13 0.65 -1.45 1.46 3.38 -1.14 -3.03 115.31 116.31 2vml h LEU 27 Ca 0.26 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.84 2vml h LEU 27 Cb 0.24 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2vml h LEU 27 CO -0.02 1.22 0.44 0.74 0.09 0.00 0.00 178.44 180.91 2vml h THR 28 N 0.36 1.00 -0.72 0.22 2.02 -0.83 -1.71 112.91 113.25 2vml h THR 28 Ca -0.05 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2vml h THR 28 Cb 1.40 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2vml h THR 28 CO 0.15 0.12 0.40 0.78 0.37 0.00 0.00 175.52 177.34 2vml h ASN 29 N 0.66 0.89 -0.28 4.18 2.35 -1.33 -1.31 115.58 120.74 2vml h ASN 29 Ca 0.29 -0.09 -0.18 0.00 -0.55 0.00 0.00 56.30 55.77 2vml h ASN 29 Cb 0.29 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2vml h ASN 29 CO -0.09 0.73 -0.51 0.25 -1.65 0.00 0.00 177.43 176.16 2vml h LEU 30 N 0.99 0.94 -0.56 1.61 6.46 -1.39 -1.97 115.31 121.38 2vml h LEU 30 Ca 0.25 -0.53 0.01 0.00 -0.12 0.00 0.00 57.88 57.50 2vml h LEU 30 Cb 0.03 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.66 2vml h LEU 30 CO -0.04 1.29 0.36 0.58 -0.62 0.00 0.00 178.44 180.01 2vml h VAL 31 N 0.62 1.11 -0.65 1.05 2.07 -1.21 -1.88 116.25 117.35 2vml h VAL 31 Ca 0.02 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2vml h VAL 31 Cb 1.12 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2vml h VAL 31 CO 0.11 0.13 0.29 0.50 0.02 0.00 0.00 177.57 178.63 2vml h LYS 32 N 0.73 0.93 -0.32 1.57 3.64 -1.16 -2.62 116.57 119.34 2vml h LYS 32 Ca 0.22 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2vml h LYS 32 Cb -0.04 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 2vml h LYS 32 CO -0.07 0.73 0.00 0.39 -2.27 0.00 0.00 179.45 178.24 2vml n GLU 33 N -4.33 2.04 0.20 1.90 -0.58 -0.75 -4.53 120.64 114.60 2vml n GLU 33 Ca 0.06 -1.59 0.05 0.00 -0.42 0.00 0.00 57.16 55.26 2vml n GLU 33 Cb 0.14 -1.42 0.42 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 2.96 0.00 -0.42 1.62 4.64 -0.94 -2.31 113.55 119.10 2vml h SER 34 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 2vml h SER 34 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2vml h SER 34 CO 0.00 0.33 -0.33 0.78 -0.87 0.00 0.00 176.83 176.74 2vml h ASN 35 N 0.00 1.01 -0.75 4.97 2.35 -1.81 -0.19 115.58 121.17 2vml h ASN 35 Ca -0.00 -0.44 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 2vml h ASN 35 Cb 0.66 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 2vml h ASN 35 CO 0.04 1.24 0.43 0.11 -1.65 0.00 0.00 177.43 177.60 2vml h LYS 36 N 0.80 1.04 -0.99 0.81 1.57 -1.83 -1.96 116.57 116.01 2vml h LYS 36 Ca 0.08 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2vml h LYS 36 Cb 0.92 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 2vml h LYS 36 CO 0.09 0.76 0.66 -0.09 -0.57 0.00 0.00 179.45 180.29 2vml h ARG 37 N 1.04 1.29 -0.56 3.15 2.43 -1.03 -0.83 114.38 119.87 2vml h ARG 37 Ca 0.27 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 2vml h ARG 37 Cb 0.01 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 2vml h ARG 37 CO -0.05 0.85 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.14 2vml h LEU 38 N 1.33 0.99 -0.60 3.80 3.38 -0.81 -1.77 115.31 121.61 2vml h LEU 38 Ca 0.37 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2vml h LEU 38 Cb -0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.34 2vml h LEU 38 CO -0.09 1.07 0.28 0.44 0.09 0.00 0.00 178.44 180.23 2vml h ASP 39 N 0.90 0.80 -0.27 -0.43 3.32 -1.05 -0.83 116.42 118.87 2vml h ASP 39 Ca 0.15 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2vml h ASP 39 Cb 0.60 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2vml h ASP 39 CO 0.04 0.72 0.17 0.00 -1.72 0.00 0.00 179.24 178.44 2vml h ALA 40 N 1.11 0.34 -0.51 3.45 0.00 -1.03 0.07 119.26 122.70 2vml h ALA 40 Ca 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2vml h ALA 40 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2vml h ALA 40 CO -0.02 -0.17 0.24 0.28 0.00 0.00 0.00 179.25 179.57 2vml h VAL 41 N 0.35 1.20 -0.72 0.00 2.07 -1.29 -2.98 116.25 114.87 2vml h VAL 41 Ca 0.10 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.09 2vml h VAL 41 Cb -0.01 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2vml h VAL 41 CO -0.02 0.22 0.47 -1.13 0.02 0.00 0.00 177.57 177.14 2vml h ASN 42 N 0.67 0.75 -0.84 0.57 -1.24 -0.94 -1.82 115.58 112.73 2vml h ASN 42 Ca 0.17 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 2vml h ASN 42 Cb 0.13 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 2vml h ASN 42 CO -0.02 0.52 0.52 0.00 -1.29 0.00 0.00 177.43 177.16 2vml h ALA 43 N 1.58 1.33 -0.00 1.57 0.00 -0.83 0.36 119.26 123.27 2vml h ALA 43 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2vml h ALA 43 Cb 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2vml h ALA 43 CO -0.08 0.59 -0.05 0.82 0.00 0.00 0.00 179.25 180.53 2vml h ILE 44 N 1.16 1.60 -0.53 0.00 2.04 -1.37 -3.17 117.51 117.24 2vml h ILE 44 Ca 0.31 -1.82 0.01 0.00 1.00 0.00 0.00 64.86 64.36 2vml h ILE 44 Cb -0.07 2.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 2vml h ILE 44 CO -0.06 0.48 0.34 0.74 0.00 0.00 0.00 178.15 179.64 2vml h THR 45 N -0.71 1.10 0.00 -0.27 2.02 -1.33 -0.92 112.91 112.80 2vml h THR 45 Ca -0.01 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2vml h THR 45 Cb 0.81 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2vml h THR 45 CO 0.01 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.63 2vml n GLY 46 N -1.24 -1.20 0.50 2.16 0.00 0.11 -3.27 105.19 102.26 2vml n GLY 46 Ca 0.03 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.82 1.06 0.01 1.61 3.02 -1.01 -4.93 115.26 113.20 2vml n ASN 47 Ca 0.03 -2.54 -0.11 0.00 -0.03 0.00 0.00 54.58 51.93 2vml n ASN 47 Cb 0.23 -0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 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 0.23 0.10 -0.73 5.41 0.00 -1.16 -1.36 119.26 121.75 2vml h ALA 48 Ca -0.03 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2vml h ALA 48 Cb 1.30 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2vml h ALA 48 CO 0.01 -0.41 0.48 0.00 0.00 0.00 0.00 179.25 179.33 2vml h ALA 49 N 1.03 1.70 0.08 0.00 0.00 -1.87 -2.20 119.26 117.99 2vml h ALA 49 Ca 0.03 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 2vml h ALA 49 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2vml h ALA 49 CO -0.01 0.19 -1.30 0.93 0.00 0.00 0.00 179.25 179.06 2vml h GLU 50 N 0.76 0.17 -0.64 0.00 3.07 -1.82 -0.95 114.58 115.17 2vml h GLU 50 Ca 0.31 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2vml h GLU 50 Cb 0.25 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 2vml h GLU 50 CO -0.10 1.07 0.35 0.82 -1.40 0.00 0.00 179.01 179.75 2vml h ILE 51 N 0.05 1.20 -0.14 3.13 2.04 -1.00 -0.06 117.51 122.73 2vml h ILE 51 Ca -0.14 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.12 2vml h ILE 51 Cb 1.93 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2vml h ILE 51 CO 0.16 0.22 -0.23 0.40 0.00 0.00 0.00 178.15 178.70 2vml h ILE 52 N 0.88 1.37 -0.47 -0.67 2.04 -1.29 -2.27 117.51 117.08 2vml h ILE 52 Ca 0.23 -1.48 -0.12 0.00 1.00 0.00 0.00 64.86 64.48 2vml h ILE 52 Cb 0.04 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2vml h ILE 52 CO -0.04 0.44 -0.20 -1.28 0.00 0.00 0.00 178.15 177.07 2vml h SER 53 N 0.01 0.96 -0.28 1.72 0.87 -1.16 -0.04 113.55 115.62 2vml h SER 53 Ca 0.01 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 2vml h SER 53 Cb 0.81 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2vml h SER 53 CO 0.05 1.13 0.08 0.44 -0.53 0.00 0.00 176.83 178.00 2vml h ASP 54 N 0.82 0.42 -0.40 6.23 3.32 -1.06 -1.29 116.42 124.47 2vml h ASP 54 Ca 0.11 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2vml h ASP 54 Cb 0.76 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2vml h ASP 54 CO 0.06 0.52 0.25 0.00 -1.72 0.00 0.00 179.24 178.35 2vml h ALA 55 N 0.91 0.50 0.06 3.45 0.00 -1.39 -2.19 119.26 120.61 2vml h ALA 55 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2vml h ALA 55 Cb 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2vml h ALA 55 CO -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 179.25 179.20 2vml h ALA 56 N 1.13 -0.08 -0.76 0.00 0.00 -0.95 -0.59 119.26 118.00 2vml h ALA 56 Ca 0.14 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.12 2vml h ALA 56 Cb -0.03 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 2vml h ALA 56 CO -0.03 -0.52 0.37 0.45 0.00 0.00 0.00 179.25 179.53 2vml h HIS 57 N -0.14 0.66 -0.38 0.00 -0.00 -1.19 -2.04 115.15 112.06 2vml h HIS 57 Ca -0.01 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.30 2vml h HIS 57 Cb 0.12 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 2vml h HIS 57 CO -0.05 0.19 -0.13 0.87 -0.00 0.00 0.00 177.93 178.81 2vml h LYS 58 N 0.59 0.76 -0.53 2.45 1.57 -1.24 -2.46 116.57 117.71 2vml h LYS 58 Ca 0.39 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2vml h LYS 58 Cb 0.49 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 2vml h LYS 58 CO -0.32 0.92 0.32 1.25 -0.57 0.00 0.00 179.45 181.04 2vml h LEU 59 N 0.56 0.51 0.00 2.94 5.85 -0.66 -1.55 115.31 122.95 2vml h LEU 59 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2vml h LEU 59 Cb 0.66 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2vml h LEU 59 CO 0.04 0.36 -0.22 0.49 -0.34 0.00 0.00 178.44 178.77 2vml n PHE 60 N -4.79 0.68 0.04 1.25 3.72 -0.81 -0.22 117.46 117.34 2vml n PHE 60 Ca 0.04 0.20 -0.20 0.00 -0.05 0.00 0.00 57.45 57.44 2vml n PHE 60 Cb 0.08 -0.78 -0.13 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 2.59 -0.00 -0.31 4.37 0.00 -1.26 -3.30 119.26 121.35 2vml h ALA 61 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 54.11 2vml h ALA 61 Cb 0.71 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2vml h ALA 61 CO 0.00 0.45 -0.34 0.93 0.00 0.00 0.00 179.25 180.29 2vml h GLU 62 N -0.09 0.77 -2.63 0.00 5.08 -1.11 -3.38 114.58 113.22 2vml h GLU 62 Ca -0.13 -0.42 -0.61 0.00 -1.00 0.00 0.00 59.36 57.19 2vml h GLU 62 Cb 1.59 0.02 -0.42 0.00 0.50 0.00 0.00 28.75 30.44 2vml h GLU 62 CO 0.16 1.05 -0.56 1.04 -1.00 0.00 0.00 179.01 179.71 2vml n GLN 63 N -4.19 2.25 0.14 2.33 6.02 0.69 -4.90 117.38 119.71 2vml n GLN 63 Ca -0.04 -4.59 0.12 0.00 -0.01 0.00 0.00 57.00 52.48 2vml n GLN 63 Cb 0.51 -2.28 0.49 0.00 1.02 0.00 0.00 30.24 29.98 2vml n GLN 63 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2vml n THR 64 N 1.38 0.80 0.05 5.09 -2.24 -1.24 -2.23 114.28 115.89 2vml n THR 64 Ca 0.25 0.18 0.14 0.00 -2.27 0.00 0.00 64.05 62.35 2vml n THR 64 Cb 0.38 -1.12 0.61 0.00 -2.10 0.00 0.00 70.33 68.11 2vml n THR 64 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2vml h ASP 65 N 0.00 0.12 1.09 3.42 2.03 -1.90 -3.03 116.42 118.15 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 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.87 2vml h ASP 65 CO 0.00 0.07 -0.28 -0.07 -1.03 0.00 0.00 179.24 177.93 2vml h LEU 66 N 0.13 0.00 -3.22 0.15 3.38 -1.81 -3.12 115.31 110.81 2vml h LEU 66 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2vml h LEU 66 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2vml h LEU 66 CO -0.02 0.28 0.00 2.30 0.09 0.00 0.00 178.44 181.09 2vml n ILE 67 N -3.35 2.07 -4.07 1.22 -5.35 -1.15 -0.89 119.36 107.85 2vml n ILE 67 Ca 0.01 -1.57 -0.25 0.00 -0.27 0.00 0.00 62.75 60.67 2vml n ILE 67 Cb 0.50 -0.08 -0.05 0.00 -1.74 0.00 0.00 39.64 38.28 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 -2.37 2.99 0.15 6.28 0.52 -1.18 -4.93 118.95 120.42 2vml s ARG 68 Ca 0.42 -0.87 -0.34 0.00 -0.52 0.00 0.00 55.73 54.41 2vml s ARG 68 Cb 0.31 -2.68 -0.15 0.00 0.52 0.00 0.00 34.95 32.95 2vml s ARG 68 CO 0.13 0.47 1.33 -2.30 0.02 0.00 0.00 175.30 174.95 2vml n PRO 69 N -0.60 1.48 0.00 3.54 -0.02 -1.26 -0.27 135.00 137.86 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 0.55 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.44 2.75 3.89 -1.23 0.00 -1.26 -5.07 105.19 106.71 2vml n GLY 70 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.45 1.73 0.00 -0.02 0.00 0.63 -4.99 107.32 102.22 2vml s GLY 71 Ca 0.00 -0.36 0.30 0.00 0.00 0.00 0.00 44.72 44.66 2vml s GLY 71 CO 0.00 -0.19 2.01 -2.01 0.00 0.00 0.00 173.10 172.92 2vml n ASN 72 N -1.72 0.41 -1.14 1.64 2.85 -1.23 -2.38 115.26 113.69 2vml n ASN 72 Ca 0.01 -0.86 -0.01 0.00 -0.11 0.00 0.00 54.58 53.61 2vml n ASN 72 Cb 0.54 -0.06 0.22 0.00 1.24 0.00 0.00 39.78 41.73 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 -0.81 3.95 -2.67 5.20 0.00 -0.07 -4.62 120.51 121.49 2vml n ALA 73 Ca 0.19 -2.84 -0.19 0.00 0.00 0.00 0.00 53.44 50.60 2vml n ALA 73 Cb 0.22 -0.78 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 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 -3.11 0.99 0.00 0.00 5.04 -1.00 -3.39 117.35 115.88 2vml s TYR 74 Ca 0.45 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 2vml s TYR 74 Cb 0.39 -0.62 0.00 0.00 0.35 0.00 0.00 41.96 42.08 2vml s TYR 74 CO 0.04 -0.00 0.00 -0.35 -1.34 0.00 0.00 175.55 173.89 2vml n PRO 75 N 2.40 2.61 -0.27 4.97 -0.04 -1.26 -4.58 135.00 138.83 2vml n PRO 75 Ca -0.16 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2vml n PRO 75 Cb 0.56 0.00 0.38 0.00 -0.04 0.00 0.00 33.50 34.40 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 0.64 -0.68 3.54 2.35 -2.00 -1.88 115.58 117.56 2vml h ASN 76 Ca 0.00 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2vml h ASN 76 Cb 0.00 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 2vml h ASN 76 CO 0.00 0.32 0.31 -0.09 -1.65 0.00 0.00 177.43 176.32 2vml h ARG 77 N 0.68 0.99 -0.25 0.81 2.43 -1.94 -0.32 114.38 116.78 2vml h ARG 77 Ca 0.45 -0.16 -0.19 0.00 -0.81 0.00 0.00 59.98 59.27 2vml h ARG 77 Cb 0.74 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2vml h ARG 77 CO -0.21 0.80 -0.60 0.00 -1.51 0.00 0.00 179.97 178.45 2vml h ARG 78 N 0.95 0.84 -0.26 0.20 3.08 -1.69 -1.97 114.38 115.54 2vml h ARG 78 Ca 0.23 -0.58 0.02 0.00 0.07 0.00 0.00 59.98 59.72 2vml h ARG 78 Cb 0.14 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2vml h ARG 78 CO -0.03 1.20 0.13 1.98 -1.07 0.00 0.00 179.97 182.19 2vml h MET 79 N 0.61 0.26 -0.62 0.04 4.05 -1.20 0.09 114.93 118.16 2vml h MET 79 Ca -0.01 -0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.47 2vml h MET 79 Cb 1.22 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.90 2vml h MET 79 CO 0.13 0.17 0.30 0.00 0.23 0.00 0.00 176.91 177.75 2vml h ALA 80 N 1.13 0.83 -0.64 0.39 0.00 -1.07 -0.10 119.26 119.80 2vml h ALA 80 Ca 0.10 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2vml h ALA 80 Cb 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2vml h ALA 80 CO -0.07 -0.07 0.19 0.00 0.00 0.00 0.00 179.25 179.30 2vml h ALA 81 N 1.37 1.14 0.15 0.00 0.00 -1.05 -0.89 119.26 119.98 2vml h ALA 81 Ca 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2vml h ALA 81 Cb 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2vml h ALA 81 CO -0.23 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 179.54 2vml h LEU 83 N -0.36 1.06 -0.78 0.00 3.38 -0.94 -2.44 115.31 115.24 2vml h LEU 83 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2vml h LEU 83 Cb 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2vml h LEU 83 CO 0.03 0.71 0.49 -0.09 0.09 0.00 0.00 178.44 179.68 2vml h ARG 84 N 1.23 1.04 -0.70 1.13 2.43 -1.07 -2.24 114.38 116.19 2vml h ARG 84 Ca 0.40 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 2vml h ARG 84 Cb 0.04 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 2vml h ARG 84 CO -0.14 0.72 0.34 -0.44 -1.51 0.00 0.00 179.97 178.94 2vml h ASP 85 N 1.06 0.90 -0.57 -3.80 5.19 -0.89 -0.75 116.42 117.56 2vml h ASP 85 Ca 0.28 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.54 2vml h ASP 85 Cb -0.07 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.18 2vml h ASP 85 CO -0.06 0.77 0.15 0.24 -3.12 0.00 0.00 179.24 177.22 2vml h MET 86 N 1.00 0.91 -0.32 3.56 2.86 -1.21 -1.50 114.93 120.23 2vml h MET 86 Ca 0.24 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2vml h MET 86 Cb 0.10 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2vml h MET 86 CO -0.03 0.84 0.12 1.49 1.06 0.00 0.00 176.91 180.39 2vml h GLU 87 N 0.82 0.48 -0.30 1.72 4.81 -1.06 -1.65 114.58 119.40 2vml h GLU 87 Ca 0.18 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2vml h GLU 87 Cb 0.33 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2vml h GLU 87 CO 0.00 0.49 0.18 0.82 -0.73 0.00 0.00 179.01 179.77 2vml h ILE 88 N 0.37 1.11 -0.43 2.32 2.04 -1.00 -0.77 117.51 121.14 2vml h ILE 88 Ca 0.11 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2vml h ILE 88 Cb 0.19 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2vml h ILE 88 CO -0.01 0.10 0.14 0.40 0.00 0.00 0.00 178.15 178.79 2vml h ILE 89 N 0.38 1.22 -0.42 -0.67 2.04 -1.26 -1.59 117.51 117.20 2vml h ILE 89 Ca 0.11 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 2vml h ILE 89 Cb 0.01 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2vml h ILE 89 CO -0.02 0.25 0.11 0.25 0.00 0.00 0.00 178.15 178.75 2vml h LEU 90 N 0.56 0.57 -0.20 1.44 5.85 -1.11 -1.05 115.31 121.36 2vml h LEU 90 Ca 0.14 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2vml h LEU 90 Cb 0.25 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2vml h LEU 90 CO -0.01 0.56 0.01 -0.09 -0.34 0.00 0.00 178.44 178.58 2vml h ARG 91 N 0.61 0.35 -0.15 1.25 2.43 -0.83 -1.97 114.38 116.06 2vml h ARG 91 Ca 0.14 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2vml h ARG 91 Cb 0.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2vml h ARG 91 CO -0.01 0.53 -0.39 1.88 -1.51 0.00 0.00 179.97 180.48 2vml h TYR 92 N 0.12 0.40 -0.42 2.20 0.05 -1.10 -1.81 116.97 116.40 2vml h TYR 92 Ca 0.06 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 2vml h TYR 92 Cb 0.37 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 2vml h TYR 92 CO 0.03 0.68 0.18 0.28 -1.05 0.00 0.00 178.16 178.28 2vml h VAL 93 N 0.29 1.19 -0.11 -2.88 2.07 -1.16 -1.98 116.25 113.67 2vml h VAL 93 Ca 0.03 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 2vml h VAL 93 Cb 0.81 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2vml h VAL 93 CO 0.06 0.22 -0.39 0.77 0.02 0.00 0.00 177.57 178.25 2vml h SER 94 N 0.54 0.25 -0.30 0.57 4.64 -1.23 -1.81 113.55 116.20 2vml h SER 94 Ca 0.14 -0.10 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2vml h SER 94 Cb 0.17 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2vml h SER 94 CO -0.01 0.62 0.15 1.88 -0.87 0.00 0.00 176.83 178.60 2vml h TYR 95 N 0.20 0.29 -0.98 4.77 0.05 -1.17 -2.49 116.97 117.63 2vml h TYR 95 Ca 0.02 0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.91 2vml h TYR 95 Cb 0.78 -0.09 -0.08 0.00 1.01 0.00 0.00 36.73 38.36 2vml h TYR 95 CO 0.01 0.16 0.62 0.00 -1.05 0.00 0.00 178.16 177.90 2vml h ALA 96 N 1.15 1.43 -0.17 3.88 0.00 -1.07 -1.54 119.26 122.95 2vml h ALA 96 Ca 0.12 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2vml h ALA 96 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2vml h ALA 96 CO -0.08 0.30 -0.41 1.25 0.00 0.00 0.00 179.25 180.30 2vml h LEU 97 N 1.04 0.42 -0.23 0.00 5.85 -1.14 0.14 115.31 121.39 2vml h LEU 97 Ca 0.46 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 2vml h LEU 97 Cb 0.35 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2vml h LEU 97 CO -0.23 0.79 -0.09 0.25 -0.34 0.00 0.00 178.44 178.82 2vml h LEU 98 N 0.33 0.47 -1.49 2.25 5.85 -1.10 -3.28 115.31 118.35 2vml h LEU 98 Ca 0.03 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 2vml h LEU 98 Cb 0.87 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2vml h LEU 98 CO 0.07 0.76 -0.09 0.00 -0.34 0.00 0.00 178.44 178.84 2vml h ALA 99 N 0.73 1.58 -0.44 1.25 0.00 -1.17 -3.47 119.26 117.75 2vml h ALA 99 Ca 0.05 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2vml h ALA 99 Cb 0.57 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2vml h ALA 99 CO 0.03 0.30 -0.13 0.41 0.00 0.00 0.00 179.25 179.87 2vml n GLY 100 N -0.99 0.69 3.52 0.00 0.00 0.44 -1.65 105.19 107.20 2vml n GLY 100 Ca -0.01 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.88 -0.69 0.00 1.61 2.15 -0.90 -4.23 116.67 111.72 2vml s ASP 101 Ca 0.00 1.26 0.30 0.00 0.43 0.00 0.00 52.55 54.54 2vml s ASP 101 Cb 0.00 1.23 1.51 0.00 -0.30 0.00 0.00 42.92 45.36 2vml s ASP 101 CO 0.00 -0.22 2.02 0.00 -0.17 0.00 0.00 175.17 176.80 2vml n ALA 102 N 3.24 2.66 -0.20 3.66 0.00 -1.26 -4.36 120.51 124.26 2vml n ALA 102 Ca -0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.03 2vml n ALA 102 Cb 0.56 -1.41 0.23 0.00 0.00 0.00 0.00 19.45 18.83 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 0.51 0.85 -0.64 0.00 4.64 -1.96 -0.68 113.55 116.28 2vml h SER 103 Ca 0.00 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 2vml h SER 103 Cb 0.23 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 2vml h SER 103 CO 0.00 0.67 0.15 1.62 -0.87 0.00 0.00 176.83 178.40 2vml h VAL 104 N 0.97 1.26 -0.44 0.95 3.04 -1.82 0.21 116.25 120.41 2vml h VAL 104 Ca 0.25 -0.94 -0.00 0.00 -1.01 0.00 0.00 66.70 64.99 2vml h VAL 104 Cb -0.01 0.64 -0.02 0.00 -2.01 0.00 0.00 31.29 29.90 2vml h VAL 104 CO -0.04 0.36 0.26 0.25 -1.01 0.00 0.00 177.57 177.38 2vml h LEU 105 N 0.95 0.54 -0.07 3.16 5.85 -1.60 -1.33 115.31 122.79 2vml h LEU 105 Ca 0.20 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2vml h LEU 105 Cb 0.37 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2vml h LEU 105 CO 0.00 0.44 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.41 2vml h GLU 106 N 0.58 0.17 -0.16 1.25 4.57 -0.91 -1.04 114.58 119.03 2vml h GLU 106 Ca 0.16 -0.08 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 2vml h GLU 106 Cb 0.01 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2vml h GLU 106 CO -0.03 0.57 -0.40 -0.44 -1.18 0.00 0.00 179.01 177.54 2vml h ASP 107 N -0.24 0.63 -0.05 1.04 3.32 -0.58 -1.23 116.42 119.31 2vml h ASP 107 Ca 0.01 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2vml h ASP 107 Cb 0.54 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2vml h ASP 107 CO 0.01 1.09 0.00 0.54 -1.72 0.00 0.00 179.24 179.16 2vml n ARG 108 N -4.28 2.10 0.13 3.56 1.74 -0.51 -4.64 116.66 114.77 2vml n ARG 108 Ca -0.06 -1.85 0.00 0.00 -0.77 0.00 0.00 57.85 55.17 2vml n ARG 108 Cb 0.53 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 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 -9.08 0.00 3.38 -1.16 -3.41 115.31 105.04 2vml h LEU 110 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2vml h LEU 110 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2vml h LEU 110 CO 0.00 0.83 1.41 0.21 0.09 0.00 0.00 178.44 180.98 2vml s ASN 111 N -6.70 5.76 0.00 -0.43 2.47 -0.47 -1.69 114.94 113.87 2vml s ASN 111 Ca 0.01 2.08 0.00 0.00 0.42 0.00 0.00 52.86 55.37 2vml s ASN 111 Cb 0.10 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 2vml s ASN 111 CO 0.79 -1.69 0.00 0.61 -3.72 0.00 0.00 177.10 173.09 2vml n GLY 112 N 5.39 0.78 0.22 1.21 0.00 -1.26 -4.95 105.19 106.59 2vml n GLY 112 Ca 0.27 0.00 -0.16 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 0.89 -0.90 0.99 5.85 -1.56 -2.58 115.31 118.00 2vml h LEU 113 Ca 0.00 -0.58 0.06 0.00 0.84 0.00 0.00 57.88 58.20 2vml h LEU 113 Cb 0.00 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 2vml h LEU 113 CO 0.00 1.31 0.57 0.50 -0.34 0.00 0.00 178.44 180.48 2vml h LYS 114 N 0.52 1.01 -0.59 1.25 3.64 -1.79 -1.18 116.57 119.43 2vml h LYS 114 Ca -0.01 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 2vml h LYS 114 Cb 1.22 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 2vml h LYS 114 CO 0.13 0.67 0.10 0.93 -2.27 0.00 0.00 179.45 179.01 2vml h GLU 115 N 1.04 0.98 -0.29 1.90 3.07 -1.91 -0.03 114.58 119.34 2vml h GLU 115 Ca 0.39 -0.26 0.03 0.00 -0.50 0.00 0.00 59.36 59.02 2vml h GLU 115 Cb 0.16 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 2vml h GLU 115 CO -0.17 0.92 0.10 1.15 -1.40 0.00 0.00 179.01 179.61 2vml h THR 116 N 0.88 0.92 -0.75 1.13 2.02 -1.04 -1.46 112.91 114.61 2vml h THR 116 Ca 0.18 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 2vml h THR 116 Cb 0.42 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2vml h THR 116 CO 0.01 0.04 0.24 1.88 0.37 0.00 0.00 175.52 178.06 2vml h TYR 117 N 0.23 1.20 -0.53 3.16 0.05 -0.88 -1.87 116.97 118.32 2vml h TYR 117 Ca 0.13 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2vml h TYR 117 Cb 0.10 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 2vml h TYR 117 CO -0.13 0.94 0.15 0.28 -1.05 0.00 0.00 178.16 178.35 2vml h VAL 118 N 1.11 1.24 -0.88 -2.88 2.07 -0.89 -0.93 116.25 115.09 2vml h VAL 118 Ca 0.24 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2vml h VAL 118 Cb 0.30 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2vml h VAL 118 CO -0.01 0.31 0.58 0.00 0.02 0.00 0.00 177.57 178.47 2vml h ALA 119 N 1.02 1.40 0.00 1.67 0.00 -1.13 -2.74 119.26 119.48 2vml h ALA 119 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2vml h ALA 119 Cb 0.31 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2vml h ALA 119 CO -0.00 0.54 0.00 -0.07 0.00 0.00 0.00 179.25 179.72 2vml h LEU 120 N 1.16 0.00 0.10 0.00 3.38 -1.01 -3.47 115.31 115.46 2vml h LEU 120 Ca 0.33 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 2vml h LEU 120 Cb -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2vml h LEU 120 CO -0.08 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.02 2vml n GLY 121 N 1.05 0.54 3.70 0.83 0.00 -0.47 -5.03 105.19 105.81 2vml n GLY 121 Ca 0.04 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.08 4.79 -0.46 2.61 2.01 -0.54 -4.96 115.64 117.02 2vml s THR 122 Ca 0.00 2.02 -0.28 0.00 0.31 0.00 0.00 61.69 63.74 2vml s THR 122 Cb 0.00 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 2vml s THR 122 CO 0.00 0.09 1.69 -2.16 -0.69 0.00 0.00 174.62 173.56 2vml s PRO 123 N 1.43 3.17 0.39 4.92 0.04 -1.26 -4.45 135.00 139.24 2vml s PRO 123 Ca 0.51 0.97 0.09 0.00 0.04 0.00 0.00 61.00 62.60 2vml s PRO 123 Cb -0.20 -4.21 0.79 0.00 0.04 0.00 0.00 34.50 30.91 2vml s PRO 123 CO 0.24 -2.07 1.94 1.79 0.04 0.00 0.00 177.00 178.94 2vml h THR 124 N 6.71 1.16 -0.00 1.26 1.35 -1.92 -1.62 112.91 119.86 2vml h THR 124 Ca -0.29 -0.66 -0.09 0.00 -0.55 0.00 0.00 66.41 64.82 2vml h THR 124 Cb 1.14 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 2vml h THR 124 CO 1.12 0.22 -0.42 0.03 -0.25 0.00 0.00 175.52 176.21 2vml h ARG 125 N 0.30 0.00 -0.09 4.72 3.08 -1.90 -0.89 114.38 119.61 2vml h ARG 125 Ca 0.07 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 2vml h ARG 125 Cb 0.29 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2vml h ARG 125 CO 0.01 0.42 -0.65 0.77 -1.07 0.00 0.00 179.97 179.46 2vml h SER 126 N 0.00 0.38 -0.12 7.04 0.02 -1.71 -0.83 113.55 118.33 2vml h SER 126 Ca -0.00 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 2vml h SER 126 Cb 0.75 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 2vml h SER 126 CO 0.05 0.93 0.01 0.58 -1.14 0.00 0.00 176.83 177.26 2vml h VAL 127 N 0.24 1.24 -0.88 2.27 2.07 -1.18 -1.95 116.25 118.05 2vml h VAL 127 Ca -0.01 -0.76 0.11 0.00 0.82 0.00 0.00 66.70 66.85 2vml h VAL 127 Cb 1.18 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 32.40 2vml h VAL 127 CO 0.11 0.22 0.52 0.00 0.02 0.00 0.00 177.57 178.43 2vml h ALA 128 N 0.76 1.29 -0.75 1.67 0.00 -1.09 -1.42 119.26 119.72 2vml h ALA 128 Ca 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2vml h ALA 128 Cb 0.33 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2vml h ALA 128 CO 0.00 0.12 0.30 -0.09 0.00 0.00 0.00 179.25 179.59 2vml h ARG 129 N 0.84 1.12 -0.64 0.00 9.65 -1.04 -1.22 114.38 123.09 2vml h ARG 129 Ca 0.44 -0.20 0.02 0.00 -1.10 0.00 0.00 59.98 59.14 2vml h ARG 129 Cb 0.43 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.79 2vml h ARG 129 CO -0.26 0.91 0.40 0.00 2.80 0.00 0.00 179.97 183.81 2vml h ALA 130 N 1.23 0.82 -0.22 2.80 0.00 -0.49 -1.37 119.26 122.03 2vml h ALA 130 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2vml h ALA 130 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2vml h ALA 130 CO -0.02 0.16 0.09 0.28 0.00 0.00 0.00 179.25 179.76 2vml h VAL 131 N 0.79 1.16 -0.41 0.00 2.07 -0.94 -1.14 116.25 117.77 2vml h VAL 131 Ca 0.25 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.38 2vml h VAL 131 Cb -0.00 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 2vml h VAL 131 CO -0.09 0.16 -0.12 -0.61 0.02 0.00 0.00 177.57 176.93 2vml h GLN 132 N 0.21 -0.02 -0.85 1.57 5.75 -1.08 -0.23 115.11 120.46 2vml h GLN 132 Ca 0.07 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 2vml h GLN 132 Cb 0.16 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 2vml h GLN 132 CO -0.01 -0.01 0.51 -0.07 -2.65 0.00 0.00 178.83 176.60 2vml h LEU 133 N -0.02 1.03 -0.83 -2.39 3.38 -1.17 -2.26 115.31 113.05 2vml h LEU 133 Ca 0.20 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2vml h LEU 133 Cb 0.32 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2vml h LEU 133 CO -0.43 0.80 0.14 0.24 0.09 0.00 0.00 178.44 179.28 2vml h MET 134 N 1.17 1.02 -0.40 1.13 2.86 -0.86 -2.26 114.93 117.60 2vml h MET 134 Ca 0.30 -0.24 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 2vml h MET 134 Cb -0.03 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.43 2vml h MET 134 CO -0.06 0.91 0.04 -0.22 1.06 0.00 0.00 176.91 178.64 2vml h LYS 135 N 0.97 0.15 -0.15 1.72 3.64 -0.86 0.48 116.57 122.51 2vml h LYS 135 Ca 0.20 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2vml h LYS 135 Cb 0.36 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2vml h LYS 135 CO 0.00 0.10 0.07 0.93 -2.27 0.00 0.00 179.45 178.28 2vml h GLU 136 N 0.15 0.21 -0.39 1.90 5.08 -1.20 -0.03 114.58 120.31 2vml h GLU 136 Ca 0.19 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 2vml h GLU 136 Cb 0.26 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2vml h GLU 136 CO -0.29 0.26 -0.29 1.15 -1.00 0.00 0.00 179.01 178.84 2vml h THR 137 N 0.11 1.28 -0.27 1.13 2.02 -1.38 -1.69 112.91 114.11 2vml h THR 137 Ca 0.05 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.78 2vml h THR 137 Cb 0.12 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2vml h THR 137 CO -0.01 0.49 0.18 0.00 0.37 0.00 0.00 175.52 176.55 2vml h ALA 138 N 0.78 0.34 -0.61 6.16 0.00 -0.81 -2.34 119.26 122.78 2vml h ALA 138 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2vml h ALA 138 Cb 0.87 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2vml h ALA 138 CO 0.08 -0.18 0.23 0.82 0.00 0.00 0.00 179.25 180.20 2vml h ILE 139 N 0.36 1.22 -0.75 0.00 2.04 -0.99 -1.68 117.51 117.71 2vml h ILE 139 Ca 0.10 -0.70 0.08 0.00 1.00 0.00 0.00 64.86 65.34 2vml h ILE 139 Cb -0.04 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 2vml h ILE 139 CO -0.02 0.28 0.41 1.23 0.00 0.00 0.00 178.15 180.05 2vml h GLY 140 N 0.99 1.13 1.36 5.37 0.00 -1.00 -1.59 103.07 109.33 2vml h GLY 140 Ca 0.21 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 47.12 2vml h GLY 140 CO -0.02 0.12 -0.42 -0.97 0.00 0.00 0.00 176.54 175.26 2vml h TYR 141 N 0.71 0.84 -0.82 5.60 0.05 -0.98 -1.19 116.97 121.19 2vml h TYR 141 Ca 0.35 -0.26 0.01 0.00 0.05 0.00 0.00 58.73 58.89 2vml h TYR 141 Cb 0.31 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 2vml h TYR 141 CO -0.08 1.00 0.54 0.28 -1.05 0.00 0.00 178.16 178.85 2vml h VAL 142 N 0.57 1.21 0.00 -2.88 2.07 -1.04 -3.02 116.25 113.16 2vml h VAL 142 Ca 0.04 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2vml h VAL 142 Cb 0.96 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2vml h VAL 142 CO 0.09 0.20 -0.36 0.78 0.02 0.00 0.00 177.57 178.30 2vml h ASN 143 N 1.11 0.00 -1.87 0.57 2.35 -1.14 -3.39 115.58 113.21 2vml h ASN 143 Ca 0.30 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.45 2vml h ASN 143 Cb -0.12 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 37.83 2vml h ASN 143 CO -0.06 0.05 -0.61 -1.20 -1.65 0.00 0.00 177.43 173.96 2vml n SER 144 N -2.98 4.75 -4.89 5.81 7.64 -0.46 -5.08 113.62 118.40 2vml n SER 144 Ca 0.02 -3.71 -0.29 0.00 1.01 0.00 0.00 58.87 55.90 2vml n SER 144 Cb 0.56 -0.53 0.06 0.00 -1.01 0.00 0.00 64.21 63.29 2vml n SER 144 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2vml s PRO 145 N -3.55 2.45 -0.37 1.43 0.04 -1.25 -4.91 135.00 128.85 2vml s PRO 145 Ca 0.48 0.25 -0.19 0.00 0.04 0.00 0.00 61.00 61.58 2vml s PRO 145 Cb 0.35 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.88 2vml s PRO 145 CO -0.17 -1.26 0.54 -1.12 0.04 0.00 0.00 177.00 175.02 2vml s SER 146 N -4.46 6.32 -1.35 6.66 0.01 -1.26 -4.55 113.70 115.07 2vml s SER 146 Ca 0.60 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2vml s SER 146 Cb -0.11 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2vml s SER 146 CO 0.50 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2vml n GLY 147 N 4.85 0.79 3.83 3.44 0.00 -1.26 -5.01 105.19 111.82 2vml n GLY 147 Ca -0.04 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.58 4.64 0.28 1.61 1.01 -1.26 -5.03 120.40 119.05 2vml s VAL 148 Ca 0.00 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 2vml s VAL 148 Cb 0.00 -3.77 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 2vml s VAL 148 CO 0.00 0.09 1.59 0.41 0.00 0.00 0.00 175.10 177.19 2vml n THR 149 N 0.40 0.90 -2.68 3.92 -1.04 -1.26 -4.93 114.28 109.60 2vml n THR 149 Ca -0.01 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.05 61.36 2vml n THR 149 Cb 0.52 -1.92 -0.04 0.00 -1.82 0.00 0.00 70.33 67.07 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 -0.32 4.61 0.00 -2.82 0.52 -1.26 -4.98 118.95 114.71 2vml s ARG 150 Ca 0.66 1.49 0.00 0.00 -0.52 0.00 0.00 55.73 57.36 2vml s ARG 150 Cb -0.51 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 31.56 2vml s ARG 150 CO 0.47 0.05 0.00 0.41 0.02 0.00 0.00 175.30 176.25 2vml n GLY 151 N 2.58 1.03 3.46 -3.53 0.00 -1.26 -5.14 105.19 102.34 2vml n GLY 151 Ca 0.04 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.83 5.80 -0.12 1.61 2.15 -1.26 -4.94 116.67 119.08 2vml s ASP 152 Ca 0.00 -0.58 0.15 0.00 0.43 0.00 0.00 52.55 52.55 2vml s ASP 152 Cb 0.00 -2.06 0.39 0.00 -0.30 0.00 0.00 42.92 40.95 2vml s ASP 152 CO 0.00 -0.25 1.29 0.00 -0.17 0.00 0.00 175.17 176.04 2vml h SER 154 N 1.23 0.80 -0.23 0.00 4.64 -1.99 -0.06 113.55 117.94 2vml h SER 154 Ca 0.00 0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2vml h SER 154 Cb 1.14 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 2vml h SER 154 CO 0.11 0.47 0.13 0.00 -0.87 0.00 0.00 176.83 176.68 2vml h ALA 155 N 1.46 0.28 -0.47 5.18 0.00 -1.99 -0.39 119.26 123.32 2vml h ALA 155 Ca 0.42 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 2vml h ALA 155 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2vml h ALA 155 CO -0.22 -0.26 -0.17 -0.07 0.00 0.00 0.00 179.25 178.52 2vml h LEU 156 N 0.28 0.93 -1.02 0.00 3.38 -1.72 -1.19 115.31 115.96 2vml h LEU 156 Ca 0.09 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2vml h LEU 156 Cb -0.01 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 2vml h LEU 156 CO -0.04 1.09 0.66 0.58 0.09 0.00 0.00 178.44 180.82 2vml h VAL 157 N 0.81 1.22 -0.47 1.22 2.07 -0.94 -0.89 116.25 119.27 2vml h VAL 157 Ca 0.12 -0.45 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 2vml h VAL 157 Cb 0.72 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2vml h VAL 157 CO 0.06 0.24 -0.21 0.78 0.02 0.00 0.00 177.57 178.45 2vml h ASN 158 N 1.31 0.97 -0.46 0.57 2.35 -0.72 -1.77 115.58 117.82 2vml h ASN 158 Ca 0.38 -0.36 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 2vml h ASN 158 Cb -0.08 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.00 2vml h ASN 158 CO -0.10 1.14 0.09 -0.08 -1.65 0.00 0.00 177.43 176.83 2vml h GLU 159 N 0.82 0.76 -0.50 0.81 4.81 -1.03 -1.85 114.58 118.40 2vml h GLU 159 Ca 0.11 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2vml h GLU 159 Cb 0.78 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 2vml h GLU 159 CO 0.06 0.76 0.32 0.00 -0.73 0.00 0.00 179.01 179.42 2vml h ALA 160 N 0.96 0.64 -0.53 2.92 0.00 -1.09 -2.33 119.26 119.83 2vml h ALA 160 Ca 0.14 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2vml h ALA 160 Cb 0.36 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 2vml h ALA 160 CO 0.01 0.04 0.16 0.00 0.00 0.00 0.00 179.25 179.46 2vml h ALA 161 N 1.20 0.64 -0.96 0.00 0.00 -1.16 -2.33 119.26 116.66 2vml h ALA 161 Ca 0.19 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2vml h ALA 161 Cb -0.03 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2vml h ALA 161 CO -0.06 -0.24 0.63 1.79 0.00 0.00 0.00 179.25 181.36 2vml h THR 162 N 0.33 1.09 -0.39 0.00 1.35 -0.79 0.32 112.91 114.82 2vml h THR 162 Ca 0.26 -0.39 -0.09 0.00 -0.55 0.00 0.00 66.41 65.65 2vml h THR 162 Cb 0.32 -0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.59 2vml h THR 162 CO -0.29 0.21 -0.09 1.88 -0.25 0.00 0.00 175.52 176.98 2vml h TYR 163 N 1.13 0.85 -0.18 4.73 0.05 -1.17 0.32 116.97 122.70 2vml h TYR 163 Ca 0.41 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 59.01 2vml h TYR 163 Cb 0.15 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 2vml h TYR 163 CO -0.00 0.89 0.10 0.74 -1.05 0.00 0.00 178.16 178.83 2vml h PHE 164 N 0.56 0.24 -0.39 4.88 0.04 -0.90 -2.32 116.94 119.05 2vml h PHE 164 Ca 0.10 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 2vml h PHE 164 Cb 0.61 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 2vml h PHE 164 CO 0.05 0.23 0.06 -0.44 -0.60 0.00 0.00 178.31 177.61 2vml h ASP 165 N 0.18 0.55 -0.63 2.17 3.32 -0.21 -1.63 116.42 120.17 2vml h ASP 165 Ca 0.06 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.04 2vml h ASP 165 Cb 0.07 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 2vml h ASP 165 CO -0.01 0.58 0.39 0.11 -1.72 0.00 0.00 179.24 178.59 2vml h LYS 166 N 0.58 0.76 -0.15 3.56 1.57 -0.26 -1.23 116.57 121.39 2vml h LYS 166 Ca 0.13 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2vml h LYS 166 Cb 0.27 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2vml h LYS 166 CO 0.00 0.50 0.03 0.00 -0.57 0.00 0.00 179.45 179.42 2vml h ALA 167 N 1.26 0.20 -0.38 3.86 0.00 -0.84 -2.25 119.26 121.12 2vml h ALA 167 Ca 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2vml h ALA 167 Cb -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2vml h ALA 167 CO -0.09 -0.16 0.20 0.00 0.00 0.00 0.00 179.25 179.20 2vml h ALA 168 N 0.83 0.48 -0.18 0.00 0.00 -1.24 -1.51 119.26 117.64 2vml h ALA 168 Ca 0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2vml h ALA 168 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2vml h ALA 168 CO 0.00 0.02 -0.34 0.00 0.00 0.00 0.00 179.25 178.94 2vml h ALA 169 N 1.05 1.08 -0.19 0.00 0.00 -1.29 0.50 119.26 120.41 2vml h ALA 169 Ca 0.13 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2vml h ALA 169 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2vml h ALA 169 CO -0.02 0.58 -0.37 1.03 0.00 0.00 0.00 179.25 180.46 2vml h SER 170 N 0.33 0.43 0.03 0.00 0.87 -1.12 -3.34 113.55 110.75 2vml h SER 170 Ca 0.04 -0.18 -0.14 0.00 -1.23 0.00 0.00 61.79 60.28 2vml h SER 170 Cb 0.75 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2vml h SER 170 CO 0.06 0.77 -0.75 0.40 -0.53 0.00 0.00 176.83 176.78 2vml h ILE 171 N 0.35 1.32 0.00 2.23 2.04 -1.09 -3.40 117.51 118.96 2vml h ILE 171 Ca 0.04 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.60 2vml h ILE 171 Cb 0.81 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 2vml h ILE 171 CO 0.07 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.73