#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 0.41 -0.63 4.03 6.46 -2.05 -1.74 115.31 121.80 2oar h LEU 2 Ca 0.00 -0.15 -0.12 0.00 -0.12 0.00 0.00 57.88 57.49 2oar h LEU 2 Cb 0.00 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2oar h LEU 2 CO 0.00 0.70 -0.26 0.50 -0.62 0.00 0.00 178.44 178.76 2oar h LYS 3 N 0.35 0.80 -0.15 1.25 3.64 -2.04 -1.79 116.57 118.63 2oar h LYS 3 Ca 0.05 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 58.99 2oar h LYS 3 Cb 0.71 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2oar h LYS 3 CO 0.05 0.97 -0.26 0.78 -2.27 0.00 0.00 179.45 178.73 2oar h GLY 4 N 0.94 0.48 0.88 5.01 0.00 -1.88 -1.53 103.07 106.98 2oar h GLY 4 Ca 0.09 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 2oar h GLY 4 CO 0.06 0.50 -0.08 -2.75 0.00 0.00 0.00 176.54 174.27 2oar h PHE 5 N 0.06 0.64 -0.42 5.60 3.57 -1.37 -1.75 116.94 123.26 2oar h PHE 5 Ca 0.01 -0.14 -0.13 0.00 3.53 0.00 0.00 57.97 61.24 2oar h PHE 5 Cb 0.84 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2oar h PHE 5 CO 0.10 0.77 -0.25 -0.22 -2.23 0.00 0.00 178.31 176.48 2oar h LYS 6 N 0.32 0.87 -0.15 1.11 3.64 -1.43 -1.58 116.57 119.36 2oar h LYS 6 Ca 0.07 -0.38 -0.14 0.00 -1.27 0.00 0.00 60.65 58.94 2oar h LYS 6 Cb 0.57 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2oar h LYS 6 CO 0.03 1.02 -0.49 1.49 -2.27 0.00 0.00 179.45 179.23 2oar h GLU 7 N 0.75 0.40 -0.10 1.90 4.81 -1.30 -1.62 114.58 119.42 2oar h GLU 7 Ca 0.09 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 58.96 2oar h GLU 7 Cb 0.80 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2oar h GLU 7 CO 0.07 0.80 -0.55 0.35 -0.73 0.00 0.00 179.01 178.95 2oar h PHE 8 N 0.32 0.37 -0.22 0.92 3.57 -1.23 -2.90 116.94 117.77 2oar h PHE 8 Ca 0.01 -0.13 -0.15 0.00 3.53 0.00 0.00 57.97 61.24 2oar h PHE 8 Cb 0.98 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2oar h PHE 8 CO 0.03 0.78 -0.47 -0.07 -2.23 0.00 0.00 178.31 176.35 2oar h LEU 9 N 0.23 0.61 -1.05 0.59 3.38 -0.99 -0.34 115.31 117.75 2oar h LEU 9 Ca 0.00 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 2oar h LEU 9 Cb 1.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2oar h LEU 9 CO 0.09 0.99 -0.21 0.00 0.09 0.00 0.00 178.44 179.39 2oar h ALA 10 N 1.04 1.20 0.00 1.53 0.00 -1.33 -0.84 119.26 120.86 2oar h ALA 10 Ca 0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2oar h ALA 10 Cb 0.99 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2oar h ALA 10 CO 0.09 0.51 -0.19 -0.09 0.00 0.00 0.00 179.25 179.58 2oar h ARG 11 N 0.39 0.00 -5.02 0.00 9.65 -1.30 -3.44 114.38 114.66 2oar h ARG 11 Ca 0.06 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.58 2oar h ARG 11 Cb 0.59 0.00 0.09 0.00 -1.39 0.00 0.00 29.97 29.26 2oar h ARG 11 CO 0.04 0.19 0.95 0.41 2.80 0.00 0.00 179.97 184.36 2oar n GLY 12 N -0.92 0.22 0.22 2.80 0.00 -0.15 -4.20 105.19 103.16 2oar n GLY 12 Ca -0.02 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.47 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 9.89 0.12 -0.53 1.61 -1.24 -1.86 0.43 115.58 124.00 2oar h ASN 13 Ca 0.16 -0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.16 2oar h ASN 13 Cb 0.75 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.73 2oar h ASN 13 CO 1.57 0.33 0.32 0.40 -1.29 0.00 0.00 177.43 178.77 2oar h ILE 14 N 0.11 1.07 -0.95 2.57 2.04 -1.92 -1.36 117.51 119.07 2oar h ILE 14 Ca 0.02 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.67 2oar h ILE 14 Cb 0.43 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2oar h ILE 14 CO 0.03 0.12 0.63 0.58 0.00 0.00 0.00 178.15 179.51 2oar h VAL 15 N 0.64 1.24 -0.40 1.67 2.07 -0.49 0.57 116.25 121.56 2oar h VAL 15 Ca 0.21 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.30 2oar h VAL 15 Cb 0.00 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.58 2oar h VAL 15 CO -0.08 0.24 0.23 0.44 0.02 0.00 0.00 177.57 178.41 2oar h ASP 16 N 1.29 0.37 -0.21 0.57 5.19 -0.50 -1.68 116.42 121.45 2oar h ASP 16 Ca 0.35 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.72 2oar h ASP 16 Cb -0.14 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 2oar h ASP 16 CO -0.08 0.27 -0.05 0.25 -3.12 0.00 0.00 179.24 176.51 2oar h LEU 17 N 0.47 0.40 -0.81 1.55 6.46 0.07 -1.77 115.31 121.68 2oar h LEU 17 Ca 0.16 -0.37 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 2oar h LEU 17 Cb 0.01 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.79 2oar h LEU 17 CO -0.08 0.67 0.53 0.00 -0.62 0.00 0.00 178.44 178.95 2oar h ALA 18 N 0.74 1.02 -0.83 1.25 0.00 0.18 0.34 119.26 121.96 2oar h ALA 18 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2oar h ALA 18 Cb 0.50 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2oar h ALA 18 CO 0.02 0.44 0.55 0.28 0.00 0.00 0.00 179.25 180.54 2oar h VAL 19 N 1.10 1.21 -0.41 0.00 2.07 -1.12 0.19 116.25 119.29 2oar h VAL 19 Ca 0.30 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2oar h VAL 19 Cb -0.12 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.62 2oar h VAL 19 CO -0.06 0.20 0.27 0.00 0.02 0.00 0.00 177.57 178.00 2oar h ALA 20 N 1.31 0.52 -0.28 1.67 0.00 0.48 0.14 119.26 123.10 2oar h ALA 20 Ca 0.30 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2oar h ALA 20 Cb -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2oar h ALA 20 CO -0.07 -0.02 -0.30 -0.39 0.00 0.00 0.00 179.25 178.47 2oar h VAL 21 N 0.55 1.28 -0.32 0.00 -1.51 -0.52 0.16 116.25 115.89 2oar h VAL 21 Ca 0.15 -1.40 -0.01 0.00 -1.23 0.00 0.00 66.70 64.21 2oar h VAL 21 Cb -0.05 1.39 -0.02 0.00 -2.13 0.00 0.00 31.29 30.48 2oar h VAL 21 CO -0.03 0.45 0.17 0.58 -1.23 0.00 0.00 177.57 177.50 2oar h VAL 22 N 0.50 1.14 -0.30 7.19 2.07 0.04 -0.57 116.25 126.32 2oar h VAL 22 Ca 0.06 -0.39 -0.18 0.00 0.82 0.00 0.00 66.70 67.01 2oar h VAL 22 Cb 0.77 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2oar h VAL 22 CO 0.06 0.15 -0.51 0.40 0.02 0.00 0.00 177.57 177.69 2oar h ILE 23 N 0.39 1.28 -0.35 4.57 2.04 -0.46 -1.80 117.51 123.18 2oar h ILE 23 Ca 0.11 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 2oar h ILE 23 Cb 0.08 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2oar h ILE 23 CO -0.02 0.55 0.19 1.23 0.00 0.00 0.00 178.15 180.11 2oar h GLY 24 N 0.74 0.53 0.98 5.37 0.00 -0.35 -1.20 103.07 109.14 2oar h GLY 24 Ca 0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 2oar h GLY 24 CO 0.11 0.23 -0.02 -0.91 0.00 0.00 0.00 176.54 175.96 2oar h THR 25 N 0.45 1.26 -0.52 4.70 1.35 -1.11 -1.60 112.91 117.44 2oar h THR 25 Ca 0.12 -1.07 0.02 0.00 -0.55 0.00 0.00 66.41 64.93 2oar h THR 25 Cb 0.06 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.52 2oar h THR 25 CO -0.02 0.37 0.32 0.00 -0.25 0.00 0.00 175.52 175.94 2oar h ALA 26 N 0.90 0.66 -0.22 6.62 0.00 -1.08 -1.60 119.26 124.54 2oar h ALA 26 Ca 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2oar h ALA 26 Cb 0.52 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2oar h ALA 26 CO 0.03 0.05 -0.16 0.35 0.00 0.00 0.00 179.25 179.52 2oar h PHE 27 N 0.65 0.58 -0.85 0.00 3.04 -1.08 -1.64 116.94 117.65 2oar h PHE 27 Ca 0.20 -0.16 0.01 0.00 3.98 0.00 0.00 57.97 62.00 2oar h PHE 27 Cb -0.02 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.32 2oar h PHE 27 CO -0.05 0.81 0.56 1.79 -2.02 0.00 0.00 178.31 179.39 2oar h THR 28 N 0.19 1.21 -0.94 4.41 1.35 -1.14 -0.67 112.91 117.30 2oar h THR 28 Ca 0.04 -0.39 0.01 0.00 -0.55 0.00 0.00 66.41 65.52 2oar h THR 28 Cb 0.68 -0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 67.02 2oar h THR 28 CO 0.04 0.21 0.62 0.00 -0.25 0.00 0.00 175.52 176.14 2oar h ALA 29 N 1.32 1.20 -0.51 6.62 0.00 -1.18 -1.39 119.26 125.31 2oar h ALA 29 Ca 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2oar h ALA 29 Cb -0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.27 2oar h ALA 29 CO -0.08 0.61 0.29 1.25 0.00 0.00 0.00 179.25 181.32 2oar h LEU 30 N 1.28 0.63 -0.32 0.00 5.85 -0.16 -1.44 115.31 121.16 2oar h LEU 30 Ca 0.34 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 2oar h LEU 30 Cb -0.13 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 2oar h LEU 30 CO -0.07 0.53 0.05 0.58 -0.34 0.00 0.00 178.44 179.19 2oar h VAL 31 N 0.68 1.24 -0.33 1.05 2.07 -0.62 -1.49 116.25 118.85 2oar h VAL 31 Ca 0.18 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 2oar h VAL 31 Cb 0.03 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2oar h VAL 31 CO -0.03 0.27 0.02 0.71 0.02 0.00 0.00 177.57 178.57 2oar h THR 32 N 0.35 1.18 -0.59 2.57 1.35 -1.20 0.09 112.91 116.67 2oar h THR 32 Ca 0.10 -0.69 -0.09 0.00 -0.55 0.00 0.00 66.41 65.17 2oar h THR 32 Cb 0.36 0.91 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 2oar h THR 32 CO 0.01 0.24 0.00 0.11 -0.25 0.00 0.00 175.52 175.63 2oar h LYS 33 N 0.48 1.02 -0.60 4.72 1.79 -0.98 0.10 116.57 123.10 2oar h LYS 33 Ca 0.11 -0.31 -0.08 0.00 -2.18 0.00 0.00 60.65 58.18 2oar h LYS 33 Cb 0.27 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2oar h LYS 33 CO 0.01 1.00 0.06 0.35 -1.08 0.00 0.00 179.45 179.79 2oar h PHE 34 N 0.93 1.09 -0.50 -1.35 3.04 -0.51 -1.41 116.94 118.23 2oar h PHE 34 Ca 0.17 -0.16 0.01 0.00 3.98 0.00 0.00 57.97 61.97 2oar h PHE 34 Cb 0.54 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.73 2oar h PHE 34 CO 0.04 0.95 0.32 1.15 -2.02 0.00 0.00 178.31 178.74 2oar h THR 35 N 0.91 1.10 -0.16 4.41 2.02 -0.32 0.15 112.91 121.02 2oar h THR 35 Ca 0.18 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 2oar h THR 35 Cb 0.47 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2oar h THR 35 CO 0.02 0.12 -0.07 0.44 0.37 0.00 0.00 175.52 176.40 2oar h ASP 36 N 0.64 0.33 0.02 4.18 3.45 -0.56 0.18 116.42 124.67 2oar h ASP 36 Ca 0.19 -0.40 -0.00 0.00 0.43 0.00 0.00 57.03 57.25 2oar h ASP 36 Cb -0.04 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.64 2oar h ASP 36 CO -0.06 0.66 -0.01 0.77 -1.57 0.00 0.00 179.24 179.03 2oar h SER 37 N 0.01 -0.02 0.01 6.45 4.64 -1.13 -3.24 113.55 120.27 2oar h SER 37 Ca 0.04 -0.63 -0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2oar h SER 37 Cb 0.53 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2oar h SER 37 CO 0.02 0.63 -0.00 0.40 -0.87 0.00 0.00 176.83 177.01 2oar h ILE 38 N -0.69 1.58 -0.01 0.95 1.08 -1.06 -3.38 117.51 115.97 2oar h ILE 38 Ca -0.00 -1.94 -0.09 0.00 -0.39 0.00 0.00 64.86 62.44 2oar h ILE 38 Cb 0.65 2.87 0.01 0.00 -3.07 0.00 0.00 36.82 37.27 2oar h ILE 38 CO 0.00 0.49 -0.33 0.40 -0.69 0.00 0.00 178.15 178.03 2oar h ILE 39 N -0.87 1.50 -0.74 -0.67 2.04 -0.75 -3.33 117.51 114.70 2oar h ILE 39 Ca -0.00 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 63.93 2oar h ILE 39 Cb 0.81 2.67 -0.04 0.00 -0.74 0.00 0.00 36.82 39.52 2oar h ILE 39 CO 0.00 0.54 0.47 0.74 0.00 0.00 0.00 178.15 179.90 2oar h THR 40 N -0.38 1.20 -0.56 -0.27 2.02 -1.02 -0.96 112.91 112.95 2oar h THR 40 Ca -0.04 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.76 2oar h THR 40 Cb 1.06 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2oar h THR 40 CO 0.06 0.20 0.37 1.55 0.37 0.00 0.00 175.52 178.07 2oar h PRO 41 N 1.01 0.69 -0.38 6.66 0.13 -1.71 0.34 132.00 138.75 2oar h PRO 41 Ca 0.27 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 65.20 2oar h PRO 41 Cb -0.08 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 30.89 2oar h PRO 41 CO -0.05 0.46 -0.39 -0.07 -0.23 0.00 0.00 178.00 177.71 2oar h LEU 42 N 0.72 0.98 -0.55 1.56 4.07 -1.36 -1.50 115.31 119.23 2oar h LEU 42 Ca 0.21 -0.45 0.01 0.00 0.08 0.00 0.00 57.88 57.73 2oar h LEU 42 Cb -0.02 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.41 2oar h LEU 42 CO -0.05 1.25 0.37 0.40 -1.08 0.00 0.00 178.44 179.32 2oar h ILE 43 N 0.75 1.14 -0.27 1.22 1.08 -0.41 -3.11 117.51 117.91 2oar h ILE 43 Ca 0.06 -0.26 -0.06 0.00 -0.39 0.00 0.00 64.86 64.21 2oar h ILE 43 Cb 0.98 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 2oar h ILE 43 CO 0.10 0.14 -0.11 0.78 -0.69 0.00 0.00 178.15 178.37 2oar h ASN 44 N 0.75 0.43 -0.57 1.72 4.21 -0.58 0.47 115.58 122.01 2oar h ASN 44 Ca 0.20 -0.10 -0.02 0.00 1.21 0.00 0.00 56.30 57.60 2oar h ASN 44 Cb -0.09 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 36.97 2oar h ASN 44 CO -0.04 0.58 0.29 -0.09 -1.29 0.00 0.00 177.43 176.88 2oar h ARG 45 N 0.42 0.80 0.40 0.81 1.12 -1.21 -3.22 114.38 113.50 2oar h ARG 45 Ca 0.08 -0.11 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 2oar h ARG 45 Cb 0.45 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 2oar h ARG 45 CO 0.02 0.63 -0.19 0.82 -3.11 0.00 0.00 179.97 178.15 2oar h ILE 46 N 0.76 0.24 -4.53 1.20 2.04 -1.59 -3.47 117.51 112.17 2oar h ILE 46 Ca 0.20 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2oar h ILE 46 Cb 0.08 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2oar h ILE 46 CO -0.03 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.79 2oar n GLY 47 N 0.18 0.00 1.72 5.37 0.00 0.14 -4.73 105.19 107.86 2oar n GLY 47 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.52 2.36 0.00 1.61 0.31 -1.26 -4.65 118.33 116.18 2oar n VAL 48 Ca 0.00 -1.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.10 2oar n VAL 48 Cb 0.00 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 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 0.13 0.00 0.00 4.52 3.02 -1.26 -4.90 115.26 116.77 2oar n ASN 49 Ca 0.29 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 2oar n ASN 49 Cb 1.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.30 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 -1.92 5.41 0.00 -1.25 -4.81 120.51 114.93 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 1.50 -0.95 0.00 -0.06 -0.52 -4.81 117.38 112.53 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 -1.39 0.00 -3.62 1.69 3.41 -1.26 -1.00 113.62 111.44 2oar n SER 52 Ca 0.00 -0.54 -0.06 0.00 -0.26 0.00 0.00 58.87 58.01 2oar n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.37 -0.22 0.42 4.04 2.15 -0.60 -4.96 116.67 117.87 2oar s ASP 53 Ca 0.00 0.30 -0.23 0.00 0.43 0.00 0.00 52.55 53.05 2oar s ASP 53 Cb 0.00 0.27 -0.11 0.00 -0.30 0.00 0.00 42.92 42.77 2oar s ASP 53 CO 0.00 -0.15 0.80 0.52 -0.17 0.00 0.00 175.17 176.16 2oar n VAL 54 N 1.04 2.20 -3.43 1.11 0.31 -1.26 -1.52 118.33 116.78 2oar n VAL 54 Ca -0.07 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.54 2oar n VAL 54 Cb 0.58 -0.86 -0.11 0.00 -0.91 0.00 0.00 33.84 32.54 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 -0.86 0.14 -0.65 2.92 0.00 -1.26 -4.52 107.32 103.09 2oar s GLY 55 Ca 0.64 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 44.64 2oar s GLY 55 CO 0.57 2.46 0.75 1.39 0.00 0.00 0.00 173.10 178.27 2oar n ILE 56 N 4.99 2.39 -1.46 0.90 5.41 -1.26 -1.58 119.36 128.75 2oar n ILE 56 Ca 0.01 -5.22 -0.47 0.00 1.00 0.00 0.00 62.75 58.06 2oar n ILE 56 Cb 0.44 -2.11 -0.08 0.00 -0.71 0.00 0.00 39.64 37.19 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 0.93 1.80 -3.73 1.39 4.77 -1.26 -4.65 117.00 116.25 2oar n LEU 57 Ca 0.29 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 56.10 2oar n LEU 57 Cb 0.40 -1.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.24 2oar n LEU 57 CO 0.41 -0.87 2.55 -1.14 -1.33 0.00 0.00 177.39 177.01 2oar n ARG 58 N 8.33 2.57 0.00 3.23 0.00 -1.26 -1.01 116.66 128.53 2oar n ARG 58 Ca 0.45 -2.46 0.00 0.00 -0.00 0.00 0.00 57.85 55.85 2oar n ARG 58 Cb 0.23 -3.22 0.00 0.00 0.00 0.00 0.00 32.46 29.47 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 5.32 0.00 0.02 5.15 0.13 -1.26 -5.03 119.36 123.69 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 -0.04 0.00 4.50 0.00 -0.18 -5.16 105.19 104.31 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 -2.68 0.00 0.00 -0.61 2.08 -0.61 -5.02 119.36 112.51 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 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.93 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 1.65 0.46 7.39 0.00 -1.26 -4.36 105.19 109.06 2oar n GLY 62 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.16 0.00 -0.02 0.00 -0.62 -4.89 105.19 99.50 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 -1.07 1.55 3.28 -0.02 0.00 -0.85 -4.54 105.19 103.53 2oar n GLY 64 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 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 0.61 0.13 1.61 2.00 -0.57 -4.12 119.66 117.32 2oar s GLN 65 Ca 0.00 0.14 0.07 0.00 -2.00 0.00 0.00 55.36 53.57 2oar s GLN 65 Cb 0.00 0.28 -0.04 0.00 0.80 0.00 0.00 33.01 34.05 2oar s GLN 65 CO 0.00 -0.14 -0.17 0.95 -0.50 0.00 0.00 175.29 175.43 2oar s THR 66 N -0.71 1.58 -0.38 -0.34 -4.23 -1.26 -1.55 115.64 108.75 2oar s THR 66 Ca -0.08 -1.74 -0.00 0.00 -1.18 0.00 0.00 61.69 58.69 2oar s THR 66 Cb -0.04 -1.63 0.10 0.00 1.34 0.00 0.00 72.50 72.27 2oar s THR 66 CO 0.03 -0.30 0.14 -0.63 -0.54 0.00 0.00 174.62 173.32 2oar s ILE 67 N -1.88 2.93 -0.17 2.99 1.01 -0.17 -4.97 121.20 120.94 2oar s ILE 67 Ca 0.10 -2.11 -0.26 0.00 0.00 0.00 0.00 60.65 58.38 2oar s ILE 67 Cb -0.06 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 2oar s ILE 67 CO 0.05 -0.62 0.89 -1.81 0.00 0.00 0.00 174.94 173.44 2oar s ASP 68 N 1.48 7.02 -0.17 3.58 1.11 -1.26 -1.44 116.67 126.99 2oar s ASP 68 Ca 0.08 1.26 0.10 0.00 0.18 0.00 0.00 52.55 54.16 2oar s ASP 68 Cb -0.21 -2.48 -0.23 0.00 1.07 0.00 0.00 42.92 41.07 2oar s ASP 68 CO -0.05 -0.45 0.16 0.18 1.18 0.00 0.00 175.17 176.19 2oar n LEU 69 N 5.37 1.28 -0.19 1.23 4.77 -1.26 -3.95 117.00 124.25 2oar n LEU 69 Ca 0.06 0.08 0.03 0.00 -0.03 0.00 0.00 56.01 56.16 2oar n LEU 69 Cb 0.48 -0.14 0.30 0.00 -2.33 0.00 0.00 43.42 41.74 2oar n LEU 69 CO 0.49 0.63 1.22 -0.55 -1.33 0.00 0.00 177.39 177.86 2oar h ASN 70 N 0.01 0.75 -0.16 -1.43 -1.07 -1.94 0.40 115.58 112.14 2oar h ASN 70 Ca -0.48 -0.01 -0.09 0.00 0.07 0.00 0.00 56.30 55.79 2oar h ASN 70 Cb 2.08 -0.18 -0.00 0.00 -2.07 0.00 0.00 38.32 38.16 2oar h ASN 70 CO 0.02 0.52 -0.24 1.62 0.07 0.00 0.00 177.43 179.42 2oar h VAL 71 N 0.88 1.35 -0.53 6.14 3.04 -1.98 0.39 116.25 125.53 2oar h VAL 71 Ca 0.28 -1.46 0.01 0.00 -1.01 0.00 0.00 66.70 64.52 2oar h VAL 71 Cb 0.04 1.91 -0.03 0.00 -2.01 0.00 0.00 31.29 31.20 2oar h VAL 71 CO -0.08 0.44 0.35 0.25 -1.01 0.00 0.00 177.57 177.52 2oar h LEU 72 N 0.09 0.60 -0.43 3.16 5.85 -1.40 0.42 115.31 123.60 2oar h LEU 72 Ca 0.02 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 2oar h LEU 72 Cb 0.81 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2oar h LEU 72 CO 0.06 0.44 -0.52 0.25 -0.34 0.00 0.00 178.44 178.32 2oar h LEU 73 N 0.72 0.80 -0.93 2.25 6.46 -0.24 -0.67 115.31 123.69 2oar h LEU 73 Ca 0.20 -0.42 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 2oar h LEU 73 Cb -0.07 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 39.58 2oar h LEU 73 CO -0.05 1.17 0.61 -1.28 -0.62 0.00 0.00 178.44 178.27 2oar h SER 74 N 0.56 1.08 -0.25 1.25 0.87 0.95 0.21 113.55 118.22 2oar h SER 74 Ca 0.02 -0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.37 2oar h SER 74 Cb 1.09 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2oar h SER 74 CO 0.11 0.79 -0.50 0.00 -0.53 0.00 0.00 176.83 176.69 2oar h ALA 75 N 1.34 0.55 -0.47 6.23 0.00 -0.14 -1.06 119.26 125.70 2oar h ALA 75 Ca 0.34 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2oar h ALA 75 Cb -0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2oar h ALA 75 CO -0.07 0.68 0.31 0.00 0.00 0.00 0.00 179.25 180.17 2oar h ALA 76 N 0.77 0.60 -0.37 0.00 0.00 -0.09 0.21 119.26 120.38 2oar h ALA 76 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2oar h ALA 76 Cb 1.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2oar h ALA 76 CO 0.11 0.05 -0.14 0.82 0.00 0.00 0.00 179.25 180.09 2oar h ILE 77 N 0.64 1.25 -0.57 0.00 2.04 -0.57 -1.30 117.51 119.01 2oar h ILE 77 Ca 0.17 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.88 2oar h ILE 77 Cb -0.07 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2oar h ILE 77 CO -0.04 0.39 0.37 -1.13 0.00 0.00 0.00 178.15 177.74 2oar h ASN 78 N 0.61 0.62 -0.38 1.72 -1.24 0.20 -1.22 115.58 115.89 2oar h ASN 78 Ca 0.10 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 2oar h ASN 78 Cb 0.59 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.48 2oar h ASN 78 CO 0.04 0.45 0.19 0.15 -1.29 0.00 0.00 177.43 176.97 2oar h PHE 79 N 0.74 0.54 -0.80 0.67 3.57 0.15 -1.43 116.94 120.38 2oar h PHE 79 Ca 0.21 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2oar h PHE 79 Cb -0.05 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 2oar h PHE 79 CO -0.04 0.45 0.47 0.74 -2.23 0.00 0.00 178.31 177.70 2oar h PHE 80 N 0.48 1.07 -0.49 0.41 -1.00 -0.97 -0.22 116.94 116.22 2oar h PHE 80 Ca 0.13 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.91 2oar h PHE 80 Cb 0.10 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.29 2oar h PHE 80 CO -0.02 0.73 0.32 -0.07 -1.61 0.00 0.00 178.31 177.67 2oar h LEU 81 N 1.11 0.56 -0.31 1.54 3.38 -0.67 -1.22 115.31 119.70 2oar h LEU 81 Ca 0.29 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.09 2oar h LEU 81 Cb -0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2oar h LEU 81 CO -0.05 0.41 -0.41 0.40 0.09 0.00 0.00 178.44 178.87 2oar h ILE 82 N 0.67 1.29 -0.33 1.22 2.04 -0.02 -1.45 117.51 120.93 2oar h ILE 82 Ca 0.18 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.42 2oar h ILE 82 Cb -0.08 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2oar h ILE 82 CO -0.04 0.52 0.11 0.00 0.00 0.00 0.00 178.15 178.74 2oar h ALA 83 N 0.70 0.43 -0.82 1.87 0.00 -0.57 0.17 119.26 121.04 2oar h ALA 83 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2oar h ALA 83 Cb 1.01 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2oar h ALA 83 CO 0.10 0.06 0.43 0.74 0.00 0.00 0.00 179.25 180.57 2oar h PHE 84 N 0.37 1.14 -0.24 0.00 -1.00 -1.25 0.39 116.94 116.35 2oar h PHE 84 Ca 0.11 -0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 2oar h PHE 84 Cb 0.23 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 2oar h PHE 84 CO 0.00 0.81 -0.05 0.00 -1.61 0.00 0.00 178.31 177.46 2oar h ALA 85 N 1.22 0.34 -0.15 2.45 0.00 -0.85 0.47 119.26 122.75 2oar h ALA 85 Ca 0.28 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2oar h ALA 85 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2oar h ALA 85 CO -0.04 0.13 -0.22 -0.24 0.00 0.00 0.00 179.25 178.88 2oar h VAL 86 N 0.21 1.36 -0.22 0.00 3.04 -0.38 0.40 116.25 120.66 2oar h VAL 86 Ca 0.06 -1.44 -0.05 0.00 -1.01 0.00 0.00 66.70 64.26 2oar h VAL 86 Cb 0.51 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 31.74 2oar h VAL 86 CO 0.02 0.43 -0.05 0.22 -1.01 0.00 0.00 177.57 177.18 2oar h TYR 87 N 0.02 0.48 -0.06 3.17 3.20 -0.24 0.25 116.97 123.79 2oar h TYR 87 Ca 0.01 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 2oar h TYR 87 Cb 0.78 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2oar h TYR 87 CO 0.09 0.66 -0.16 0.35 -1.64 0.00 0.00 178.16 177.47 2oar h PHE 88 N 0.15 0.27 0.01 -3.82 3.04 -0.07 0.30 116.94 116.83 2oar h PHE 88 Ca 0.06 -0.11 -0.00 0.00 3.98 0.00 0.00 57.97 61.90 2oar h PHE 88 Cb 0.51 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.97 2oar h PHE 88 CO 0.05 0.77 -0.01 1.25 -2.02 0.00 0.00 178.31 178.35 2oar h LEU 89 N -0.30 -0.02 0.04 0.59 5.85 -0.24 -3.34 115.31 117.89 2oar h LEU 89 Ca -0.00 -0.64 -0.09 0.00 0.84 0.00 0.00 57.88 57.99 2oar h LEU 89 Cb 0.76 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.81 2oar h LEU 89 CO 0.03 0.64 -0.37 0.58 -0.34 0.00 0.00 178.44 178.99 2oar h VAL 90 N -0.69 1.59 -0.21 1.05 2.07 -0.63 -3.39 116.25 116.03 2oar h VAL 90 Ca -0.00 -2.20 -0.13 0.00 0.82 0.00 0.00 66.70 65.19 2oar h VAL 90 Cb 0.65 3.01 -0.00 0.00 -1.52 0.00 0.00 31.29 33.44 2oar h VAL 90 CO 0.00 0.60 -0.36 0.58 0.02 0.00 0.00 177.57 178.42 2oar h VAL 91 N -0.55 1.32 -0.42 2.57 2.07 0.58 -1.91 116.25 119.91 2oar h VAL 91 Ca -0.06 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.90 2oar h VAL 91 Cb 1.19 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 2oar h VAL 91 CO 0.07 0.49 0.28 0.25 0.02 0.00 0.00 177.57 178.68 2oar h LEU 92 N 0.31 0.48 -0.18 2.57 6.46 -1.31 -1.63 115.31 122.01 2oar h LEU 92 Ca 0.02 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 2oar h LEU 92 Cb 0.95 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.76 2oar h LEU 92 CO 0.08 0.35 -0.24 1.55 -0.62 0.00 0.00 178.44 179.56 2oar h PRO 93 N 0.57 0.47 -0.20 5.25 0.13 -1.75 -1.62 132.00 134.85 2oar h PRO 93 Ca 0.15 -0.27 -0.15 0.00 -0.87 0.00 0.00 66.00 64.86 2oar h PRO 93 Cb -0.07 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 2oar h PRO 93 CO -0.03 0.86 -0.49 -0.92 -0.23 0.00 0.00 178.00 177.19 2oar h TYR 94 N 0.12 0.65 -0.21 1.56 3.20 -1.35 -0.52 116.97 120.42 2oar h TYR 94 Ca 0.02 -0.21 -0.15 0.00 3.14 0.00 0.00 58.73 61.53 2oar h TYR 94 Cb 0.81 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2oar h TYR 94 CO 0.09 0.92 -0.48 -0.97 -1.64 0.00 0.00 178.16 176.08 2oar h ASN 95 N 0.42 0.61 -0.12 -2.11 -1.24 -1.36 0.19 115.58 111.97 2oar h ASN 95 Ca 0.02 -0.30 -0.16 0.00 0.71 0.00 0.00 56.30 56.58 2oar h ASN 95 Cb 1.01 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 2oar h ASN 95 CO 0.09 0.99 -0.47 0.74 -1.29 0.00 0.00 177.43 177.49 2oar h THR 96 N 0.45 1.30 -0.13 -3.57 2.02 -1.17 -1.45 112.91 110.36 2oar h THR 96 Ca 0.02 -1.67 -0.15 0.00 0.77 0.00 0.00 66.41 65.39 2oar h THR 96 Cb 1.00 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 2oar h THR 96 CO 0.09 0.53 -0.55 -0.07 0.37 0.00 0.00 175.52 175.89 2oar h LEU 97 N 0.54 0.42 -0.46 2.58 3.38 -0.93 0.19 115.31 121.03 2oar h LEU 97 Ca 0.03 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.61 2oar h LEU 97 Cb 1.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2oar h LEU 97 CO 0.10 0.88 -0.49 0.03 0.09 0.00 0.00 178.44 179.05 2oar h ARG 98 N 0.29 0.73 -0.13 1.13 2.47 -0.90 0.86 114.38 118.83 2oar h ARG 98 Ca 0.00 -0.43 -0.07 0.00 -1.26 0.00 0.00 59.98 58.22 2oar h ARG 98 Cb 1.06 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.41 2oar h ARG 98 CO 0.09 1.05 -0.20 0.87 0.56 0.00 0.00 179.97 182.35 2oar h LYS 99 N 0.57 0.37 0.00 0.04 1.57 -1.10 -2.94 116.57 115.08 2oar h LYS 99 Ca 0.03 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2oar h LYS 99 Cb 1.06 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2oar h LYS 99 CO 0.10 0.80 0.00 0.87 -0.57 0.00 0.00 179.45 180.65 2oar h LYS 100 N -0.03 0.00 -3.29 3.15 1.57 -0.68 -3.48 116.57 113.81 2oar h LYS 100 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2oar h LYS 100 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2oar h LYS 100 CO 0.05 0.00 -0.08 0.41 -0.57 0.00 0.00 179.45 179.26 2oar n GLY 101 N 0.27 -1.19 0.00 3.86 0.00 0.03 -5.04 105.19 103.12 2oar n GLY 101 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2oar n GLY 101 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2oar n GLU 102 N -0.37 0.00 -2.79 1.61 1.02 0.08 -5.01 120.64 115.19 2oar n GLU 102 Ca 0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.73 2oar n GLU 102 Cb 0.05 -0.31 -0.04 0.00 -0.02 0.00 0.00 31.44 31.13 2oar n GLU 102 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2oar s VAL 103 N -1.00 4.55 0.73 2.62 1.01 -1.23 -5.02 120.40 122.07 2oar s VAL 103 Ca 0.00 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.14 2oar s VAL 103 Cb 0.00 -4.36 0.11 0.00 0.00 0.00 0.00 36.38 32.14 2oar s VAL 103 CO 0.00 -0.57 1.02 -0.70 0.00 0.00 0.00 175.10 174.85 2oar s GLU 104 N 3.55 1.72 -0.25 2.72 2.56 -1.26 -4.84 118.70 122.91 2oar s GLU 104 Ca 0.39 -0.79 -0.27 0.00 0.00 0.00 0.00 54.97 54.30 2oar s GLU 104 Cb -0.12 -2.24 0.14 0.00 2.00 0.00 0.00 34.13 33.92 2oar s GLU 104 CO 0.20 -1.47 1.14 -1.14 -0.56 0.00 0.00 175.26 173.43 2oar s GLN 105 N -5.23 0.39 0.25 4.30 0.74 -1.26 -5.05 119.66 113.80 2oar s GLN 105 Ca 0.65 0.30 -0.05 0.00 0.05 0.00 0.00 55.36 56.32 2oar s GLN 105 Cb -0.07 0.19 0.36 0.00 1.10 0.00 0.00 33.01 34.59 2oar s GLN 105 CO 0.45 -0.08 1.84 -1.00 -0.55 0.00 0.00 175.29 175.95 2oar h PRO 106 N 3.29 0.92 -0.75 1.67 0.13 -2.00 -1.39 132.00 133.87 2oar h PRO 106 Ca -0.23 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.86 2oar h PRO 106 Cb 1.18 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 2oar h PRO 106 CO 0.19 0.61 0.49 0.78 -0.23 0.00 0.00 178.00 179.84 2oar h GLY 107 N 0.95 1.07 0.86 1.56 0.00 -1.99 -1.45 103.07 104.06 2oar h GLY 107 Ca 0.39 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 2oar h GLY 107 CO -0.19 0.35 -0.21 -0.55 0.00 0.00 0.00 176.54 175.93 2oar h ASP 108 N 0.97 0.57 -0.44 0.19 5.19 -1.79 -1.66 116.42 119.45 2oar h ASP 108 Ca 0.29 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 2oar h ASP 108 Cb -0.06 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.27 2oar h ASP 108 CO -0.08 0.92 0.28 0.71 -3.12 0.00 0.00 179.24 177.95 2oar h THR 109 N 0.22 1.12 -0.58 0.35 1.35 -1.02 -0.04 112.91 114.31 2oar h THR 109 Ca 0.04 -0.24 -0.06 0.00 -0.55 0.00 0.00 66.41 65.60 2oar h THR 109 Cb 0.76 0.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 2oar h THR 109 CO 0.05 0.12 0.14 1.56 -0.25 0.00 0.00 175.52 177.14 2oar h GLN 110 N 0.61 0.93 -0.59 4.72 4.20 -1.08 -1.46 115.11 122.44 2oar h GLN 110 Ca 0.16 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.67 2oar h GLN 110 Cb -0.05 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 2oar h GLN 110 CO -0.03 0.87 0.36 0.28 -0.67 0.00 0.00 178.83 179.63 2oar h VAL 111 N 0.84 1.06 -0.94 -0.54 2.07 -0.07 0.49 116.25 119.16 2oar h VAL 111 Ca 0.18 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2oar h VAL 111 Cb 0.36 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 2oar h VAL 111 CO 0.00 0.13 0.61 0.58 0.02 0.00 0.00 177.57 178.91 2oar h VAL 112 N 0.70 1.25 -0.28 2.57 2.07 -0.97 0.31 116.25 121.91 2oar h VAL 112 Ca 0.24 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2oar h VAL 112 Cb 0.03 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 2oar h VAL 112 CO -0.11 0.24 -0.00 -0.07 0.02 0.00 0.00 177.57 177.65 2oar h LEU 113 N 1.27 0.48 -0.77 2.57 3.38 0.27 0.99 115.31 123.51 2oar h LEU 113 Ca 0.34 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2oar h LEU 113 Cb -0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2oar h LEU 113 CO -0.07 0.67 0.51 -0.07 0.09 0.00 0.00 178.44 179.57 2oar h LEU 114 N 0.27 0.89 -0.42 1.67 -0.00 0.36 0.18 115.31 118.26 2oar h LEU 114 Ca 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2oar h LEU 114 Cb 0.43 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 2oar h LEU 114 CO 0.01 0.65 0.26 0.74 -0.00 0.00 0.00 178.44 180.11 2oar h THR 115 N 1.05 1.12 -0.66 0.22 2.02 -0.11 0.16 112.91 116.71 2oar h THR 115 Ca 0.28 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2oar h THR 115 Cb -0.11 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2oar h THR 115 CO -0.06 0.12 0.28 -0.33 0.37 0.00 0.00 175.52 175.90 2oar h GLU 116 N 0.56 0.98 -0.56 6.66 5.08 0.06 -0.41 114.58 126.95 2oar h GLU 116 Ca 0.15 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2oar h GLU 116 Cb -0.03 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 2oar h GLU 116 CO -0.03 0.81 0.37 0.82 -1.00 0.00 0.00 179.01 179.97 2oar h ILE 117 N 0.93 1.14 -0.48 3.13 1.08 -0.55 0.10 117.51 122.85 2oar h ILE 117 Ca 0.22 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2oar h ILE 117 Cb 0.18 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 2oar h ILE 117 CO -0.02 0.14 0.30 -0.09 -0.69 0.00 0.00 178.15 177.79 2oar h ARG 118 N 0.75 0.59 -0.77 2.37 2.43 -0.15 0.24 114.38 119.84 2oar h ARG 118 Ca 0.21 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2oar h ARG 118 Cb -0.08 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 2oar h ARG 118 CO -0.05 0.39 0.49 -0.44 -1.51 0.00 0.00 179.97 178.85 2oar h ASP 119 N 0.61 0.89 -0.24 -3.80 3.45 -0.17 -0.55 116.42 116.62 2oar h ASP 119 Ca 0.19 -0.04 -0.12 0.00 0.43 0.00 0.00 57.03 57.49 2oar h ASP 119 Cb -0.02 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.52 2oar h ASP 119 CO -0.07 0.66 -0.32 -0.07 -1.57 0.00 0.00 179.24 177.87 2oar h LEU 120 N 1.04 0.69 -1.57 1.55 3.38 0.10 -1.38 115.31 119.13 2oar h LEU 120 Ca 0.28 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2oar h LEU 120 Cb -0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2oar h LEU 120 CO -0.06 1.06 0.28 0.25 0.09 0.00 0.00 178.44 180.07 2oar h LEU 121 N 0.34 0.49 -0.48 1.67 5.85 -0.39 -1.36 115.31 121.43 2oar h LEU 121 Ca 0.03 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.57 2oar h LEU 121 Cb 0.90 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2oar h LEU 121 CO 0.08 0.36 -0.49 0.00 -0.34 0.00 0.00 178.44 178.04 2oar h ALA 122 N 1.73 0.66 -0.37 1.25 0.00 -0.67 -3.11 119.26 118.75 2oar h ALA 122 Ca 0.16 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2oar h ALA 122 Cb -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2oar h ALA 122 CO -0.03 0.68 -0.07 1.96 0.00 0.00 0.00 179.25 181.79 2oar h GLN 123 N 0.55 0.61 -0.36 0.00 1.08 -0.22 -1.88 115.11 114.89 2oar h GLN 123 Ca 0.03 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2oar h GLN 123 Cb 1.05 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.39 2oar h GLN 123 CO 0.10 0.68 0.23 1.15 -0.95 0.00 0.00 178.83 180.04 2oar h THR 124 N 0.57 1.10 -0.03 -0.54 2.02 -1.26 -3.51 112.91 111.26 2oar h THR 124 Ca 0.11 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2oar h THR 124 Cb 0.46 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2oar h THR 124 CO 0.02 0.10 0.00 0.59 0.37 0.00 0.00 175.52 176.61