#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oar h LEU 2 N 0.00 0.52 -0.50 4.03 6.46 -2.05 -1.70 115.31 122.07 2oar h LEU 2 Ca 0.00 -0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.56 2oar h LEU 2 Cb 0.00 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 2oar h LEU 2 CO 0.00 0.60 -0.06 0.50 -0.62 0.00 0.00 178.44 178.86 2oar h LYS 3 N 0.52 0.93 -0.20 1.25 3.64 -2.04 -1.83 116.57 118.85 2oar h LYS 3 Ca 0.11 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 59.07 2oar h LYS 3 Cb 0.36 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2oar h LYS 3 CO 0.01 0.99 -0.24 0.78 -2.27 0.00 0.00 179.45 178.72 2oar h GLY 4 N 0.79 0.56 0.87 5.01 0.00 -1.86 -1.57 103.07 106.88 2oar h GLY 4 Ca 0.14 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 2oar h GLY 4 CO 0.04 0.54 -0.08 -2.75 0.00 0.00 0.00 176.54 174.29 2oar h PHE 5 N 0.18 0.61 -0.55 5.60 3.57 -1.36 -1.63 116.94 123.36 2oar h PHE 5 Ca 0.03 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.28 2oar h PHE 5 Cb 0.80 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2oar h PHE 5 CO 0.08 0.76 -0.08 -0.22 -2.23 0.00 0.00 178.31 176.62 2oar h LYS 6 N 0.29 1.02 -0.32 1.11 3.64 -1.40 -1.47 116.57 119.44 2oar h LYS 6 Ca 0.07 -0.36 -0.09 0.00 -1.27 0.00 0.00 60.65 59.01 2oar h LYS 6 Cb 0.57 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2oar h LYS 6 CO 0.03 1.04 -0.16 1.49 -2.27 0.00 0.00 179.45 179.58 2oar h GLU 7 N 0.91 0.57 -0.09 1.90 4.81 -1.29 -1.56 114.58 119.83 2oar h GLU 7 Ca 0.15 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 2oar h GLU 7 Cb 0.64 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2oar h GLU 7 CO 0.04 0.72 -0.57 0.35 -0.73 0.00 0.00 179.01 178.82 2oar h PHE 8 N 0.52 0.37 -0.22 0.92 3.57 -1.07 -3.09 116.94 117.94 2oar h PHE 8 Ca 0.09 -0.13 -0.16 0.00 3.53 0.00 0.00 57.97 61.30 2oar h PHE 8 Cb 0.58 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2oar h PHE 8 CO 0.02 0.79 -0.51 -0.07 -2.23 0.00 0.00 178.31 176.32 2oar h LEU 9 N 0.22 0.68 -1.04 0.59 3.38 -0.62 -1.07 115.31 117.46 2oar h LEU 9 Ca -0.00 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 2oar h LEU 9 Cb 1.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2oar h LEU 9 CO 0.09 1.07 -0.19 0.00 0.09 0.00 0.00 178.44 179.49 2oar h ALA 10 N 0.95 1.20 -0.03 1.53 0.00 -1.39 0.31 119.26 121.83 2oar h ALA 10 Ca 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2oar h ALA 10 Cb 1.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2oar h ALA 10 CO 0.10 0.52 0.02 -0.09 0.00 0.00 0.00 179.25 179.80 2oar h ARG 11 N 0.41 0.00 -5.00 0.00 9.65 -1.43 -3.41 114.38 114.60 2oar h ARG 11 Ca 0.07 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.50 2oar h ARG 11 Cb 0.58 0.00 0.12 0.00 -1.39 0.00 0.00 29.97 29.27 2oar h ARG 11 CO 0.04 0.00 1.15 0.41 2.80 0.00 0.00 179.97 184.37 2oar n GLY 12 N -1.49 0.38 0.19 2.80 0.00 0.11 -4.05 105.19 103.13 2oar n GLY 12 Ca -0.02 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.31 2oar n GLY 12 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2oar h ASN 13 N 9.52 0.01 -0.59 1.61 -1.24 -1.83 0.47 115.58 123.53 2oar h ASN 13 Ca 0.20 -0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.23 2oar h ASN 13 Cb 0.68 -0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.69 2oar h ASN 13 CO 1.72 0.38 0.36 0.40 -1.29 0.00 0.00 177.43 179.00 2oar h ILE 14 N 0.01 1.07 -0.60 2.57 2.04 -1.92 -1.51 117.51 119.18 2oar h ILE 14 Ca -0.00 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.62 2oar h ILE 14 Cb 0.67 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2oar h ILE 14 CO 0.05 0.13 0.39 0.58 0.00 0.00 0.00 178.15 179.30 2oar h VAL 15 N 0.71 1.14 -0.43 1.67 2.07 -0.36 0.47 116.25 121.51 2oar h VAL 15 Ca 0.24 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2oar h VAL 15 Cb 0.02 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 2oar h VAL 15 CO -0.10 0.15 0.26 0.44 0.02 0.00 0.00 177.57 178.34 2oar h ASP 16 N 0.80 0.43 -0.26 0.57 5.19 -0.87 -1.75 116.42 120.52 2oar h ASP 16 Ca 0.22 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.58 2oar h ASP 16 Cb -0.07 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 2oar h ASP 16 CO -0.06 0.31 -0.04 0.25 -3.12 0.00 0.00 179.24 176.57 2oar h LEU 17 N 0.53 0.50 -0.58 1.55 6.46 -0.41 -1.73 115.31 121.62 2oar h LEU 17 Ca 0.17 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.59 2oar h LEU 17 Cb 0.00 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 2oar h LEU 17 CO -0.07 0.73 0.38 0.00 -0.62 0.00 0.00 178.44 178.86 2oar h ALA 18 N 0.78 0.73 -0.76 1.25 0.00 0.05 0.45 119.26 121.77 2oar h ALA 18 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2oar h ALA 18 Cb 0.50 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2oar h ALA 18 CO 0.02 0.16 0.44 0.28 0.00 0.00 0.00 179.25 180.15 2oar h VAL 19 N 0.78 1.22 -0.56 0.00 2.07 -1.20 0.22 116.25 118.78 2oar h VAL 19 Ca 0.21 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.22 2oar h VAL 19 Cb -0.08 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 2oar h VAL 19 CO -0.05 0.24 0.37 0.00 0.02 0.00 0.00 177.57 178.14 2oar h ALA 20 N 1.23 0.71 -0.25 1.67 0.00 -0.18 -0.31 119.26 122.13 2oar h ALA 20 Ca 0.27 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2oar h ALA 20 Cb -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2oar h ALA 20 CO -0.05 0.13 -0.28 -0.39 0.00 0.00 0.00 179.25 178.66 2oar h VAL 21 N 0.75 1.28 -0.31 0.00 -1.51 -0.65 -0.67 116.25 115.13 2oar h VAL 21 Ca 0.21 -1.34 -0.00 0.00 -1.23 0.00 0.00 66.70 64.33 2oar h VAL 21 Cb -0.07 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.47 2oar h VAL 21 CO -0.05 0.43 0.18 0.58 -1.23 0.00 0.00 177.57 177.48 2oar h VAL 22 N 0.44 1.11 -0.21 7.19 2.07 0.25 -0.72 116.25 126.39 2oar h VAL 22 Ca 0.06 -0.27 -0.20 0.00 0.82 0.00 0.00 66.70 67.11 2oar h VAL 22 Cb 0.73 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2oar h VAL 22 CO 0.06 0.11 -0.66 0.40 0.02 0.00 0.00 177.57 177.50 2oar h ILE 23 N 0.39 1.29 -0.45 4.57 2.04 -1.03 -1.56 117.51 122.77 2oar h ILE 23 Ca 0.11 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.10 2oar h ILE 23 Cb 0.02 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 2oar h ILE 23 CO -0.02 0.60 0.29 1.23 0.00 0.00 0.00 178.15 180.24 2oar h GLY 24 N 0.72 0.64 0.99 5.37 0.00 -0.88 0.11 103.07 110.03 2oar h GLY 24 Ca -0.02 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 2oar h GLY 24 CO 0.14 0.25 -0.37 -0.91 0.00 0.00 0.00 176.54 175.64 2oar h THR 25 N 0.60 1.30 -0.51 4.70 1.35 -1.17 -1.55 112.91 117.64 2oar h THR 25 Ca 0.16 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 2oar h THR 25 Cb -0.04 1.68 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 2oar h THR 25 CO -0.03 0.50 0.34 0.00 -0.25 0.00 0.00 175.52 176.07 2oar h ALA 26 N 0.67 0.65 -0.17 6.62 0.00 -1.09 -1.44 119.26 124.49 2oar h ALA 26 Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2oar h ALA 26 Cb 0.96 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2oar h ALA 26 CO 0.09 0.09 -0.24 0.35 0.00 0.00 0.00 179.25 179.54 2oar h PHE 27 N 0.69 0.57 -0.74 0.00 3.04 -0.97 -1.59 116.94 117.94 2oar h PHE 27 Ca 0.19 -0.19 0.02 0.00 3.98 0.00 0.00 57.97 61.97 2oar h PHE 27 Cb -0.08 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.28 2oar h PHE 27 CO -0.04 0.87 0.49 1.79 -2.02 0.00 0.00 178.31 179.40 2oar h THR 28 N 0.10 1.16 -0.49 4.41 1.35 -1.15 0.16 112.91 118.45 2oar h THR 28 Ca 0.02 -0.33 -0.03 0.00 -0.55 0.00 0.00 66.41 65.51 2oar h THR 28 Cb 0.81 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.32 2oar h THR 28 CO 0.06 0.18 0.17 0.00 -0.25 0.00 0.00 175.52 175.67 2oar h ALA 29 N 1.55 0.64 -0.54 6.62 0.00 -1.18 -1.74 119.26 124.62 2oar h ALA 29 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2oar h ALA 29 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2oar h ALA 29 CO -0.07 0.28 0.35 1.25 0.00 0.00 0.00 179.25 181.06 2oar h LEU 30 N 0.66 0.62 -0.47 0.00 5.85 0.03 -1.34 115.31 120.67 2oar h LEU 30 Ca 0.16 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2oar h LEU 30 Cb 0.24 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2oar h LEU 30 CO -0.01 0.47 0.25 0.58 -0.34 0.00 0.00 178.44 179.38 2oar h VAL 31 N 0.73 1.17 -0.22 1.05 2.07 -1.10 -1.64 116.25 118.31 2oar h VAL 31 Ca 0.20 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 2oar h VAL 31 Cb -0.06 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2oar h VAL 31 CO -0.04 0.19 -0.19 0.71 0.02 0.00 0.00 177.57 178.26 2oar h THR 32 N 0.62 1.23 -0.41 2.57 1.35 -1.06 -1.21 112.91 116.01 2oar h THR 32 Ca 0.16 -1.07 -0.06 0.00 -0.55 0.00 0.00 66.41 64.90 2oar h THR 32 Cb 0.08 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 2oar h THR 32 CO -0.02 0.34 0.03 0.11 -0.25 0.00 0.00 175.52 175.73 2oar h LYS 33 N 0.35 0.69 -0.48 4.72 1.79 -0.99 0.79 116.57 123.45 2oar h LYS 33 Ca 0.06 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2oar h LYS 33 Cb 0.53 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 2oar h LYS 33 CO 0.04 0.76 0.31 0.35 -1.08 0.00 0.00 179.45 179.83 2oar h PHE 34 N 0.54 0.61 -0.67 -1.35 3.04 -0.92 0.76 116.94 118.95 2oar h PHE 34 Ca 0.12 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.09 2oar h PHE 34 Cb 0.42 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 2oar h PHE 34 CO 0.03 0.40 0.44 1.15 -2.02 0.00 0.00 178.31 178.31 2oar h THR 35 N 0.65 1.17 -0.14 4.41 2.02 -1.01 -0.15 112.91 119.86 2oar h THR 35 Ca 0.18 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 2oar h THR 35 Cb -0.06 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2oar h THR 35 CO -0.04 0.17 -0.07 0.44 0.37 0.00 0.00 175.52 176.39 2oar h ASP 36 N 0.91 0.30 0.00 4.18 3.45 -0.30 -0.17 116.42 124.78 2oar h ASP 36 Ca 0.25 -0.42 -0.00 0.00 0.43 0.00 0.00 57.03 57.29 2oar h ASP 36 Cb -0.10 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.59 2oar h ASP 36 CO -0.06 0.65 -0.00 0.77 -1.57 0.00 0.00 179.24 179.04 2oar h SER 37 N -0.06 -0.00 0.00 6.45 4.64 -0.69 -3.26 113.55 120.63 2oar h SER 37 Ca 0.03 -0.69 -0.01 0.00 -0.47 0.00 0.00 61.79 60.65 2oar h SER 37 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2oar h SER 37 CO 0.02 0.69 -0.04 0.40 -0.87 0.00 0.00 176.83 177.03 2oar h ILE 38 N -0.69 1.67 -0.01 0.95 1.08 -1.16 -3.39 117.51 115.95 2oar h ILE 38 Ca -0.00 -2.01 -0.09 0.00 -0.39 0.00 0.00 64.86 62.37 2oar h ILE 38 Cb 0.69 3.03 0.01 0.00 -3.07 0.00 0.00 36.82 37.47 2oar h ILE 38 CO 0.00 0.53 -0.35 0.40 -0.69 0.00 0.00 178.15 178.04 2oar h ILE 39 N -0.81 1.49 -0.73 -0.67 2.04 -1.30 -3.30 117.51 114.22 2oar h ILE 39 Ca -0.01 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.92 2oar h ILE 39 Cb 0.88 2.64 -0.04 0.00 -0.74 0.00 0.00 36.82 39.57 2oar h ILE 39 CO 0.01 0.54 0.47 0.74 0.00 0.00 0.00 178.15 179.91 2oar h THR 40 N -0.34 1.19 -0.71 -0.27 2.02 -1.12 -0.83 112.91 112.86 2oar h THR 40 Ca -0.04 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.70 2oar h THR 40 Cb 1.08 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2oar h THR 40 CO 0.07 0.19 0.18 1.55 0.37 0.00 0.00 175.52 177.88 2oar h PRO 41 N 1.00 1.12 -0.57 6.66 0.13 -1.72 0.93 132.00 139.55 2oar h PRO 41 Ca 0.27 -0.26 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2oar h PRO 41 Cb -0.10 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 30.86 2oar h PRO 41 CO -0.06 0.99 0.18 -0.07 -0.23 0.00 0.00 178.00 178.81 2oar h LEU 42 N 1.06 0.82 -0.86 1.56 4.07 -1.39 0.28 115.31 120.85 2oar h LEU 42 Ca 0.22 -0.20 0.01 0.00 0.08 0.00 0.00 57.88 57.99 2oar h LEU 42 Cb 0.36 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 2oar h LEU 42 CO 0.00 0.81 0.57 0.40 -1.08 0.00 0.00 178.44 179.14 2oar h ILE 43 N 0.80 1.21 -0.12 1.22 1.08 -0.87 -3.01 117.51 117.81 2oar h ILE 43 Ca 0.18 -0.40 -0.13 0.00 -0.39 0.00 0.00 64.86 64.13 2oar h ILE 43 Cb 0.27 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.97 2oar h ILE 43 CO -0.01 0.21 -0.50 0.78 -0.69 0.00 0.00 178.15 177.94 2oar h ASN 44 N 1.16 0.36 -0.88 1.72 4.21 0.18 -1.46 115.58 120.87 2oar h ASN 44 Ca 0.32 -0.18 0.05 0.00 1.21 0.00 0.00 56.30 57.70 2oar h ASN 44 Cb -0.11 -0.10 -0.05 0.00 -1.12 0.00 0.00 38.32 36.93 2oar h ASN 44 CO -0.08 0.80 0.58 -0.09 -1.29 0.00 0.00 177.43 177.36 2oar h ARG 45 N 0.26 1.03 0.03 0.81 1.12 -0.34 -3.06 114.38 114.23 2oar h ARG 45 Ca 0.01 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2oar h ARG 45 Cb 0.98 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.70 2oar h ARG 45 CO 0.08 0.68 -0.02 0.82 -3.11 0.00 0.00 179.97 178.43 2oar h ILE 46 N 1.06 0.00 -7.01 1.20 2.04 -1.62 -3.48 117.51 109.69 2oar h ILE 46 Ca 0.36 -0.04 -0.35 0.00 1.00 0.00 0.00 64.86 65.83 2oar h ILE 46 Cb 0.10 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 2oar h ILE 46 CO -0.12 0.00 -0.61 0.61 0.00 0.00 0.00 178.15 178.03 2oar n GLY 47 N 0.73 -0.53 1.25 5.37 0.00 -0.56 -4.79 105.19 106.66 2oar n GLY 47 Ca -0.01 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.30 2oar n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2oar n VAL 48 N -3.15 1.34 0.00 1.61 0.31 -1.26 -4.70 118.33 112.48 2oar n VAL 48 Ca -0.08 -0.87 0.00 0.00 -0.01 0.00 0.00 64.34 63.38 2oar n VAL 48 Cb 0.34 0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 2oar n VAL 48 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2oar n ASN 49 N 0.79 0.00 0.00 4.52 3.02 -1.26 -4.86 115.26 117.47 2oar n ASN 49 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2oar n ASN 49 Cb 0.69 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 2oar n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oar n ALA 50 N -3.00 0.00 -1.66 5.41 0.00 -1.25 -4.85 120.51 115.15 2oar n ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2oar n ALA 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2oar n ALA 50 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2oar n GLN 51 N 0.00 2.42 -0.77 0.00 -0.06 -0.62 -4.78 117.38 113.57 2oar n GLN 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2oar n GLN 51 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2oar n GLN 51 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2oar n SER 52 N 0.00 0.00 -3.57 1.69 3.41 -1.26 -0.99 113.62 112.90 2oar n SER 52 Ca 0.00 -0.39 -0.06 0.00 -0.26 0.00 0.00 58.87 58.17 2oar n SER 52 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2oar n SER 52 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2oar s ASP 53 N 0.84 -0.20 0.25 4.04 2.15 -0.60 -4.96 116.67 118.20 2oar s ASP 53 Ca 0.00 0.01 -0.31 0.00 0.43 0.00 0.00 52.55 52.68 2oar s ASP 53 Cb 0.00 0.21 -0.13 0.00 -0.30 0.00 0.00 42.92 42.70 2oar s ASP 53 CO 0.00 -0.33 1.49 0.52 -0.17 0.00 0.00 175.17 176.68 2oar n VAL 54 N -0.10 0.88 -3.54 1.11 0.31 -1.26 -1.59 118.33 114.14 2oar n VAL 54 Ca -0.02 -0.22 -0.29 0.00 -0.01 0.00 0.00 64.34 63.80 2oar n VAL 54 Cb 0.59 -1.65 -0.14 0.00 -0.91 0.00 0.00 33.84 31.73 2oar n VAL 54 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2oar s GLY 55 N 0.43 0.71 -0.64 2.92 0.00 -1.26 -4.68 107.32 104.80 2oar s GLY 55 Ca 0.68 -1.46 0.05 0.00 0.00 0.00 0.00 44.72 43.99 2oar s GLY 55 CO 0.48 2.01 0.57 1.39 0.00 0.00 0.00 173.10 177.55 2oar n ILE 56 N 4.75 1.46 -1.51 0.90 5.41 -1.26 -1.67 119.36 127.45 2oar n ILE 56 Ca 0.01 -4.80 -0.43 0.00 1.00 0.00 0.00 62.75 58.53 2oar n ILE 56 Cb 0.40 -2.09 -0.07 0.00 -0.71 0.00 0.00 39.64 37.17 2oar n ILE 56 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2oar n LEU 57 N 1.62 2.02 -3.70 1.39 4.77 -1.26 -4.73 117.00 117.11 2oar n LEU 57 Ca 0.24 0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.84 2oar n LEU 57 Cb 0.39 -1.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.12 2oar n LEU 57 CO 0.29 -1.01 2.52 -1.14 -1.33 0.00 0.00 177.39 176.73 2oar n ARG 58 N 8.59 2.47 0.00 3.23 0.00 -1.26 -0.88 116.66 128.81 2oar n ARG 58 Ca 0.43 -2.39 0.00 0.00 -0.00 0.00 0.00 57.85 55.89 2oar n ARG 58 Cb 0.33 -3.19 0.00 0.00 0.00 0.00 0.00 32.46 29.60 2oar n ARG 58 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2oar n ILE 59 N 5.37 0.00 0.00 5.15 0.13 -1.26 -5.04 119.36 123.70 2oar n ILE 59 Ca 0.51 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.16 2oar n ILE 59 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.19 2oar n ILE 59 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2oar n GLY 60 N 0.00 0.00 0.00 4.50 0.00 -0.06 -5.16 105.19 104.48 2oar n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2oar n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2oar n ILE 61 N -2.70 0.00 0.00 -0.61 2.08 -0.70 -5.02 119.36 112.41 2oar n ILE 61 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2oar n ILE 61 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.16 2oar n ILE 61 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2oar n GLY 62 N 0.00 2.03 0.61 7.39 0.00 -1.26 -4.58 105.19 109.39 2oar n GLY 62 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2oar n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oar n GLY 63 N 0.00 -0.19 0.00 -0.02 0.00 -0.67 -4.94 105.19 99.37 2oar n GLY 63 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2oar n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oar n GLY 64 N -1.13 2.62 3.10 -0.02 0.00 -0.89 -4.73 105.19 104.14 2oar n GLY 64 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 2oar n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2oar s GLN 65 N -2.00 0.38 0.10 1.61 2.00 -0.62 -4.39 119.66 116.73 2oar s GLN 65 Ca 0.00 -0.07 0.07 0.00 -2.00 0.00 0.00 55.36 53.36 2oar s GLN 65 Cb 0.00 0.16 -0.03 0.00 0.80 0.00 0.00 33.01 33.94 2oar s GLN 65 CO 0.00 -0.08 -0.18 0.95 -0.50 0.00 0.00 175.29 175.49 2oar s THR 66 N -0.67 1.46 -0.39 -0.34 -4.23 -1.26 -1.55 115.64 108.66 2oar s THR 66 Ca -0.08 -1.50 -0.01 0.00 -1.18 0.00 0.00 61.69 58.93 2oar s THR 66 Cb -0.04 -1.40 0.11 0.00 1.34 0.00 0.00 72.50 72.50 2oar s THR 66 CO 0.01 -0.17 0.16 -0.63 -0.54 0.00 0.00 174.62 173.45 2oar s ILE 67 N -1.35 3.01 -0.27 2.99 1.01 -0.16 -4.96 121.20 121.46 2oar s ILE 67 Ca 0.04 -2.12 -0.24 0.00 0.00 0.00 0.00 60.65 58.33 2oar s ILE 67 Cb -0.09 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 2oar s ILE 67 CO 0.04 -0.65 0.79 -1.81 0.00 0.00 0.00 174.94 173.30 2oar s ASP 68 N 1.56 6.73 -0.10 3.58 1.11 -1.26 -1.59 116.67 126.69 2oar s ASP 68 Ca 0.09 0.83 0.11 0.00 0.18 0.00 0.00 52.55 53.75 2oar s ASP 68 Cb -0.22 -2.41 -0.24 0.00 1.07 0.00 0.00 42.92 41.12 2oar s ASP 68 CO -0.05 -0.55 0.44 0.18 1.18 0.00 0.00 175.17 176.37 2oar n LEU 69 N 6.07 1.01 -0.17 1.23 7.99 -1.26 -3.79 117.00 128.08 2oar n LEU 69 Ca 0.04 0.26 0.03 0.00 -0.01 0.00 0.00 56.01 56.33 2oar n LEU 69 Cb 0.48 0.02 0.31 0.00 -0.11 0.00 0.00 43.42 44.12 2oar n LEU 69 CO 0.48 0.50 1.22 -0.55 -1.51 0.00 0.00 177.39 177.54 2oar h ASN 70 N 0.01 0.74 -0.17 -1.43 -1.07 -1.94 0.44 115.58 112.15 2oar h ASN 70 Ca -0.38 -0.01 -0.10 0.00 0.07 0.00 0.00 56.30 55.88 2oar h ASN 70 Cb 2.07 -0.18 -0.00 0.00 -2.07 0.00 0.00 38.32 38.14 2oar h ASN 70 CO 0.06 0.52 -0.28 1.62 0.07 0.00 0.00 177.43 179.42 2oar h VAL 71 N 0.86 1.35 -0.46 6.14 3.04 -1.98 0.33 116.25 125.52 2oar h VAL 71 Ca 0.27 -1.50 -0.00 0.00 -1.01 0.00 0.00 66.70 64.46 2oar h VAL 71 Cb 0.02 1.89 -0.02 0.00 -2.01 0.00 0.00 31.29 31.17 2oar h VAL 71 CO -0.07 0.45 0.28 0.25 -1.01 0.00 0.00 177.57 177.47 2oar h LEU 72 N 0.14 0.54 -0.55 3.16 5.85 -1.42 0.32 115.31 123.36 2oar h LEU 72 Ca 0.01 -0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.54 2oar h LEU 72 Cb 0.85 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2oar h LEU 72 CO 0.06 0.43 -0.49 0.25 -0.34 0.00 0.00 178.44 178.35 2oar h LEU 73 N 0.61 0.65 -0.64 2.25 6.46 -0.17 -0.94 115.31 123.54 2oar h LEU 73 Ca 0.16 -0.33 -0.09 0.00 -0.12 0.00 0.00 57.88 57.51 2oar h LEU 73 Cb -0.02 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 2oar h LEU 73 CO -0.03 1.03 0.04 -1.28 -0.62 0.00 0.00 178.44 177.58 2oar h SER 74 N 0.47 1.06 -0.50 1.25 0.87 0.15 -1.45 113.55 115.41 2oar h SER 74 Ca 0.02 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.24 2oar h SER 74 Cb 1.03 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 2oar h SER 74 CO 0.10 1.09 0.09 0.00 -0.53 0.00 0.00 176.83 177.57 2oar h ALA 75 N 1.01 0.66 -0.45 6.23 0.00 -0.18 -1.68 119.26 124.85 2oar h ALA 75 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2oar h ALA 75 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2oar h ALA 75 CO 0.02 0.39 0.24 0.00 0.00 0.00 0.00 179.25 179.90 2oar h ALA 76 N 0.97 0.58 -0.63 0.00 0.00 -0.94 -1.06 119.26 118.18 2oar h ALA 76 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2oar h ALA 76 Cb 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2oar h ALA 76 CO 0.01 0.12 0.30 0.82 0.00 0.00 0.00 179.25 180.50 2oar h ILE 77 N 0.59 1.20 -0.49 0.00 2.04 -1.16 -1.09 117.51 118.61 2oar h ILE 77 Ca 0.16 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.45 2oar h ILE 77 Cb 0.08 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2oar h ILE 77 CO -0.02 0.24 0.33 -1.13 0.00 0.00 0.00 178.15 177.56 2oar h ASN 78 N 0.88 0.57 -0.44 1.72 -1.24 -0.51 -1.32 115.58 115.23 2oar h ASN 78 Ca 0.22 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 2oar h ASN 78 Cb 0.09 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 2oar h ASN 78 CO -0.03 0.41 0.26 0.15 -1.29 0.00 0.00 177.43 176.93 2oar h PHE 79 N 0.67 0.59 -0.62 0.67 3.57 -0.07 -1.14 116.94 120.61 2oar h PHE 79 Ca 0.18 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2oar h PHE 79 Cb -0.08 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 2oar h PHE 79 CO -0.04 0.42 0.31 0.74 -2.23 0.00 0.00 178.31 177.51 2oar h PHE 80 N 0.59 0.89 -0.40 0.41 -1.00 -1.00 0.23 116.94 116.65 2oar h PHE 80 Ca 0.16 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.90 2oar h PHE 80 Cb 0.01 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.27 2oar h PHE 80 CO -0.03 0.66 0.26 -0.07 -1.61 0.00 0.00 178.31 177.53 2oar h LEU 81 N 0.85 0.47 -0.18 1.54 3.38 -0.69 0.61 115.31 121.29 2oar h LEU 81 Ca 0.22 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 2oar h LEU 81 Cb 0.10 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2oar h LEU 81 CO -0.03 0.34 -0.27 0.40 0.09 0.00 0.00 178.44 178.97 2oar h ILE 82 N 0.55 1.34 -0.60 1.22 2.04 0.08 -0.65 117.51 121.49 2oar h ILE 82 Ca 0.15 -1.49 0.01 0.00 1.00 0.00 0.00 64.86 64.52 2oar h ILE 82 Cb -0.06 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2oar h ILE 82 CO -0.03 0.45 0.40 0.00 0.00 0.00 0.00 178.15 178.97 2oar h ALA 83 N 0.60 0.76 -0.30 1.87 0.00 -0.10 0.19 119.26 122.28 2oar h ALA 83 Ca 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2oar h ALA 83 Cb 0.85 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2oar h ALA 83 CO 0.06 0.19 -0.11 0.74 0.00 0.00 0.00 179.25 180.14 2oar h PHE 84 N 0.81 0.69 -0.37 0.00 -1.00 -0.95 -1.13 116.94 114.99 2oar h PHE 84 Ca 0.22 -0.16 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 2oar h PHE 84 Cb -0.09 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.29 2oar h PHE 84 CO -0.03 0.81 0.17 0.00 -1.61 0.00 0.00 178.31 177.66 2oar h ALA 85 N 0.77 0.48 -0.16 2.45 0.00 -0.63 0.41 119.26 122.59 2oar h ALA 85 Ca 0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2oar h ALA 85 Cb 0.61 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2oar h ALA 85 CO 0.04 0.05 -0.26 -0.24 0.00 0.00 0.00 179.25 178.84 2oar h VAL 86 N 0.47 1.36 -0.18 0.00 3.04 -0.67 0.34 116.25 120.61 2oar h VAL 86 Ca 0.13 -1.50 -0.03 0.00 -1.01 0.00 0.00 66.70 64.29 2oar h VAL 86 Cb 0.13 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 2oar h VAL 86 CO -0.02 0.45 -0.01 0.22 -1.01 0.00 0.00 177.57 177.20 2oar h TYR 87 N 0.08 0.35 -0.06 3.17 3.20 -1.14 0.27 116.97 122.83 2oar h TYR 87 Ca 0.01 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.75 2oar h TYR 87 Cb 0.84 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.03 2oar h TYR 87 CO 0.09 0.55 -0.20 0.35 -1.64 0.00 0.00 178.16 177.31 2oar h PHE 88 N 0.06 0.32 0.01 -3.82 3.04 -0.24 0.20 116.94 116.50 2oar h PHE 88 Ca 0.05 -0.13 -0.00 0.00 3.98 0.00 0.00 57.97 61.87 2oar h PHE 88 Cb 0.42 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.87 2oar h PHE 88 CO 0.04 0.82 -0.00 1.25 -2.02 0.00 0.00 178.31 178.39 2oar h LEU 89 N -0.26 -0.01 0.03 0.59 5.85 -0.97 -3.33 115.31 117.21 2oar h LEU 89 Ca -0.01 -0.67 -0.10 0.00 0.84 0.00 0.00 57.88 57.95 2oar h LEU 89 Cb 0.82 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.86 2oar h LEU 89 CO 0.04 0.67 -0.40 0.58 -0.34 0.00 0.00 178.44 178.99 2oar h VAL 90 N -0.69 1.55 -0.19 1.05 2.07 -0.64 -3.39 116.25 116.01 2oar h VAL 90 Ca -0.00 -2.15 -0.11 0.00 0.82 0.00 0.00 66.70 65.26 2oar h VAL 90 Cb 0.67 2.92 -0.00 0.00 -1.52 0.00 0.00 31.29 33.36 2oar h VAL 90 CO 0.00 0.60 -0.29 0.58 0.02 0.00 0.00 177.57 178.47 2oar h VAL 91 N -0.47 1.34 -0.38 2.57 2.07 0.33 -1.73 116.25 119.97 2oar h VAL 91 Ca -0.06 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2oar h VAL 91 Cb 1.20 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 2oar h VAL 91 CO 0.08 0.46 0.25 0.25 0.02 0.00 0.00 177.57 178.63 2oar h LEU 92 N 0.20 0.45 -0.15 2.57 6.46 -1.38 -1.57 115.31 121.88 2oar h LEU 92 Ca 0.02 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.65 2oar h LEU 92 Cb 0.87 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2oar h LEU 92 CO 0.07 0.34 -0.29 1.55 -0.62 0.00 0.00 178.44 179.48 2oar h PRO 93 N 0.51 0.47 -0.31 5.25 0.13 -1.76 -1.61 132.00 134.68 2oar h PRO 93 Ca 0.14 -0.30 -0.17 0.00 -0.87 0.00 0.00 66.00 64.80 2oar h PRO 93 Cb -0.04 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 2oar h PRO 93 CO -0.03 0.90 -0.48 -0.92 -0.23 0.00 0.00 178.00 177.24 2oar h TYR 94 N 0.10 1.06 -0.16 1.56 3.20 -1.33 -0.79 116.97 120.59 2oar h TYR 94 Ca 0.01 -0.35 -0.14 0.00 3.14 0.00 0.00 58.73 61.39 2oar h TYR 94 Cb 0.88 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2oar h TYR 94 CO 0.10 1.17 -0.48 -0.97 -1.64 0.00 0.00 178.16 176.34 2oar h ASN 95 N 0.68 0.46 -0.07 -2.11 -1.24 -1.38 -1.59 115.58 110.33 2oar h ASN 95 Ca 0.03 -0.22 -0.14 0.00 0.71 0.00 0.00 56.30 56.68 2oar h ASN 95 Cb 1.08 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.99 2oar h ASN 95 CO 0.11 0.87 -0.44 0.74 -1.29 0.00 0.00 177.43 177.42 2oar h THR 96 N 0.34 1.30 -0.14 -3.57 2.02 -1.24 -1.68 112.91 109.94 2oar h THR 96 Ca 0.02 -1.62 -0.14 0.00 0.77 0.00 0.00 66.41 65.43 2oar h THR 96 Cb 0.97 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 2oar h THR 96 CO 0.08 0.51 -0.53 -0.07 0.37 0.00 0.00 175.52 175.89 2oar h LEU 97 N 0.49 0.44 -0.30 2.58 3.38 -1.00 -1.32 115.31 119.58 2oar h LEU 97 Ca 0.04 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.60 2oar h LEU 97 Cb 0.96 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2oar h LEU 97 CO 0.09 0.89 -0.49 0.03 0.09 0.00 0.00 178.44 179.04 2oar h ARG 98 N 0.31 0.87 -0.25 1.13 2.47 -1.20 0.50 114.38 118.21 2oar h ARG 98 Ca 0.01 -0.53 -0.06 0.00 -1.26 0.00 0.00 59.98 58.14 2oar h ARG 98 Cb 1.03 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 2oar h ARG 98 CO 0.09 1.17 -0.10 0.87 0.56 0.00 0.00 179.97 182.56 2oar h LYS 99 N 0.66 0.50 0.00 0.04 1.57 -1.27 -2.52 116.57 115.54 2oar h LYS 99 Ca 0.02 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 2oar h LYS 99 Cb 1.10 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2oar h LYS 99 CO 0.11 0.75 -0.26 0.87 -0.57 0.00 0.00 179.45 180.35 2oar h LYS 100 N 0.23 0.00 0.00 3.15 1.57 -1.31 -3.48 116.57 116.73 2oar h LYS 100 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2oar h LYS 100 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2oar h LYS 100 CO 0.03 0.26 0.00 0.41 -0.57 0.00 0.00 179.45 179.58 2oar n GLY 101 N 0.18 0.31 0.28 3.86 0.00 0.14 -5.02 105.19 104.94 2oar n GLY 101 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2oar n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2oar h GLU 102 N 4.31 0.16 -7.10 1.61 3.07 -0.92 -3.44 114.58 112.26 2oar h GLU 102 Ca 0.00 -0.01 -0.47 0.00 -0.50 0.00 0.00 59.36 58.38 2oar h GLU 102 Cb 0.00 -0.04 0.03 0.00 -0.84 0.00 0.00 28.75 27.90 2oar h GLU 102 CO 0.00 0.10 0.38 0.08 -1.40 0.00 0.00 179.01 178.17 2oar s VAL 103 N -5.19 3.88 0.46 3.13 1.01 -1.21 -5.04 120.40 117.43 2oar s VAL 103 Ca -0.06 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.06 2oar s VAL 103 Cb 0.17 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2oar s VAL 103 CO 0.69 -0.32 0.01 -0.70 0.00 0.00 0.00 175.10 174.78 2oar s GLU 104 N -3.43 2.07 -0.28 2.72 2.56 -1.26 -4.91 118.70 116.17 2oar s GLU 104 Ca 0.66 -2.26 -0.26 0.00 0.00 0.00 0.00 54.97 53.11 2oar s GLU 104 Cb -0.15 -1.52 0.16 0.00 2.00 0.00 0.00 34.13 34.62 2oar s GLU 104 CO 0.23 -0.23 1.25 -1.14 -0.56 0.00 0.00 175.26 174.81 2oar s GLN 105 N -3.80 0.27 0.24 4.30 0.74 -1.26 -5.05 119.66 115.09 2oar s GLN 105 Ca 0.19 0.26 -0.05 0.00 0.05 0.00 0.00 55.36 55.81 2oar s GLN 105 Cb 0.05 0.13 0.43 0.00 1.10 0.00 0.00 33.01 34.72 2oar s GLN 105 CO 0.10 -0.04 1.73 -1.00 -0.55 0.00 0.00 175.29 175.53 2oar h PRO 106 N 3.37 0.44 -0.48 1.67 0.13 -2.01 -1.78 132.00 133.33 2oar h PRO 106 Ca -0.25 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2oar h PRO 106 Cb 1.19 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2oar h PRO 106 CO 0.17 0.29 0.29 0.78 -0.23 0.00 0.00 178.00 179.30 2oar h GLY 107 N 0.45 0.70 0.98 1.56 0.00 -1.99 -1.60 103.07 103.16 2oar h GLY 107 Ca 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2oar h GLY 107 CO -0.38 0.28 0.27 -0.55 0.00 0.00 0.00 176.54 176.16 2oar h ASP 108 N 0.64 0.60 -0.01 0.19 5.19 -1.78 -1.39 116.42 119.87 2oar h ASP 108 Ca 0.17 -0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.41 2oar h ASP 108 Cb -0.00 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 2oar h ASP 108 CO -0.03 0.51 -0.24 0.71 -3.12 0.00 0.00 179.24 177.06 2oar h THR 109 N 0.64 1.26 -0.85 0.35 1.35 -1.19 -1.31 112.91 113.16 2oar h THR 109 Ca 0.17 -1.21 -0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2oar h THR 109 Cb 0.03 1.36 -0.04 0.00 -1.73 0.00 0.00 68.15 67.77 2oar h THR 109 CO -0.03 0.38 0.51 1.56 -0.25 0.00 0.00 175.52 177.70 2oar h GLN 110 N 0.37 1.15 -0.62 4.72 4.20 -0.80 -1.42 115.11 122.71 2oar h GLN 110 Ca 0.06 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.69 2oar h GLN 110 Cb 0.63 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 2oar h GLN 110 CO 0.05 0.81 0.39 0.28 -0.67 0.00 0.00 178.83 179.68 2oar h VAL 111 N 1.16 1.10 -0.51 -0.54 2.07 -0.52 0.46 116.25 119.48 2oar h VAL 111 Ca 0.30 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2oar h VAL 111 Cb -0.05 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2oar h VAL 111 CO -0.06 0.14 0.32 0.58 0.02 0.00 0.00 177.57 178.58 2oar h VAL 112 N 0.78 1.09 -0.28 2.57 2.07 -0.78 0.35 116.25 122.05 2oar h VAL 112 Ca 0.24 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 2oar h VAL 112 Cb -0.02 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2oar h VAL 112 CO -0.09 0.12 -0.08 -0.07 0.02 0.00 0.00 177.57 177.47 2oar h LEU 113 N 0.65 0.56 -0.92 2.57 3.38 -0.14 -0.68 115.31 120.73 2oar h LEU 113 Ca 0.20 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2oar h LEU 113 Cb -0.03 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 2oar h LEU 113 CO -0.07 0.81 0.61 -0.07 0.09 0.00 0.00 178.44 179.81 2oar h LEU 114 N 0.31 1.04 -0.46 1.67 -0.00 0.16 -0.50 115.31 117.53 2oar h LEU 114 Ca 0.07 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 2oar h LEU 114 Cb 0.57 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 2oar h LEU 114 CO 0.03 0.74 0.24 0.74 -0.00 0.00 0.00 178.44 180.19 2oar h THR 115 N 1.22 1.17 -0.76 0.22 2.02 -0.60 0.10 112.91 116.28 2oar h THR 115 Ca 0.35 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 2oar h THR 115 Cb -0.10 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2oar h THR 115 CO -0.09 0.18 0.29 -0.33 0.37 0.00 0.00 175.52 175.94 2oar h GLU 116 N 0.60 1.15 -0.57 6.66 5.08 -0.58 -0.51 114.58 126.40 2oar h GLU 116 Ca 0.16 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2oar h GLU 116 Cb 0.07 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2oar h GLU 116 CO -0.02 0.95 0.36 0.82 -1.00 0.00 0.00 179.01 180.12 2oar h ILE 117 N 1.11 1.10 -0.55 3.13 1.08 -0.34 0.67 117.51 123.71 2oar h ILE 117 Ca 0.25 -0.25 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2oar h ILE 117 Cb 0.24 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 2oar h ILE 117 CO -0.02 0.13 0.34 -0.09 -0.69 0.00 0.00 178.15 177.83 2oar h ARG 118 N 0.73 0.66 -0.74 2.37 2.43 0.09 0.20 114.38 120.12 2oar h ARG 118 Ca 0.22 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2oar h ARG 118 Cb -0.03 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 2oar h ARG 118 CO -0.07 0.44 0.30 -0.44 -1.51 0.00 0.00 179.97 178.69 2oar h ASP 119 N 0.68 1.01 -0.15 -3.80 3.45 0.05 -0.96 116.42 116.71 2oar h ASP 119 Ca 0.21 -0.15 -0.10 0.00 0.43 0.00 0.00 57.03 57.43 2oar h ASP 119 Cb -0.01 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.50 2oar h ASP 119 CO -0.08 0.89 -0.28 -0.07 -1.57 0.00 0.00 179.24 178.13 2oar h LEU 120 N 1.08 0.51 -1.58 1.55 3.38 -0.01 -1.46 115.31 118.79 2oar h LEU 120 Ca 0.25 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2oar h LEU 120 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2oar h LEU 120 CO -0.02 0.96 0.30 0.25 0.09 0.00 0.00 178.44 180.02 2oar h LEU 121 N 0.08 0.49 -0.61 1.67 5.85 -0.44 0.20 115.31 122.55 2oar h LEU 121 Ca 0.01 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 2oar h LEU 121 Cb 0.87 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2oar h LEU 121 CO 0.06 0.35 -0.19 0.00 -0.34 0.00 0.00 178.44 178.33 2oar h ALA 122 N 1.73 0.80 -0.41 1.25 0.00 -1.01 -2.83 119.26 118.79 2oar h ALA 122 Ca 0.17 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2oar h ALA 122 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2oar h ALA 122 CO -0.04 0.65 0.24 1.96 0.00 0.00 0.00 179.25 182.07 2oar h GLN 123 N 0.79 0.56 0.00 0.00 1.08 0.46 -2.21 115.11 115.79 2oar h GLN 123 Ca 0.11 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2oar h GLN 123 Cb 0.73 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2oar h GLN 123 CO 0.06 0.40 0.00 2.41 -0.95 0.00 0.00 178.83 180.74 2oar n THR 124 N -4.44 1.56 1.35 -0.54 -1.04 -0.60 -5.10 114.28 105.47 2oar n THR 124 Ca 0.03 0.39 0.13 0.00 -2.04 0.00 0.00 64.05 62.57 2oar n THR 124 Cb 0.08 -1.34 0.40 0.00 -1.82 0.00 0.00 70.33 67.65 2oar n THR 124 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02