#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opv h GLN 6 N 0.00 -0.59 -3.38 1.61 1.08 -1.92 -0.92 115.11 110.99 2opv h GLN 6 Ca 0.00 0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.14 2opv h GLN 6 Cb 0.00 0.13 -0.17 0.00 -0.05 0.00 0.00 27.48 27.39 2opv h GLN 6 CO 0.00 -0.28 -0.31 -0.59 -0.95 0.00 0.00 178.83 176.70 2opv s PHE 7 N -4.54 -0.05 0.00 2.96 -0.12 -1.26 -4.35 117.98 110.61 2opv s PHE 7 Ca -0.14 -0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.65 2opv s PHE 7 Cb 0.02 0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.46 2opv s PHE 7 CO 0.48 -0.46 0.07 1.58 -0.05 0.00 0.00 175.22 176.84 2opv n HIS 8 N 0.70 0.00 0.00 3.49 -0.00 -1.26 -4.89 115.22 113.25 2opv n HIS 8 Ca -0.19 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.99 2opv n HIS 8 Cb 0.59 0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.60 2opv n HIS 8 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2opv n ASP 9 N 0.00 0.00 -0.03 0.26 2.03 -1.26 -3.09 116.55 114.45 2opv n ASP 9 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2opv n ASP 9 Cb 0.10 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.40 2opv n ASP 9 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2opv h ASN 10 N 0.00 -0.02 -2.09 1.67 -0.00 -1.99 -3.28 115.58 109.87 2opv h ASN 10 Ca 0.00 -0.70 -0.75 0.00 -0.00 0.00 0.00 56.30 54.85 2opv h ASN 10 Cb 0.00 0.01 -0.30 0.00 -0.00 0.00 0.00 38.32 38.02 2opv h ASN 10 CO 0.00 0.71 0.67 0.00 -0.00 0.00 0.00 177.43 178.81 2opv n ALA 11 N -2.50 5.98 -0.10 1.57 0.00 -1.18 -4.72 120.51 119.56 2opv n ALA 11 Ca -0.09 -4.41 -0.13 0.00 0.00 0.00 0.00 53.44 48.81 2opv n ALA 11 Cb 0.35 -1.78 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 2opv n ALA 11 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2opv h ASN 12 N 3.45 0.75 0.00 0.00 -1.07 -1.68 -3.43 115.58 113.61 2opv h ASN 12 Ca 0.48 -0.45 0.00 0.00 0.07 0.00 0.00 56.30 56.40 2opv h ASN 12 Cb 0.29 -0.21 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 2opv h ASN 12 CO 1.20 1.04 0.00 0.61 0.07 0.00 0.00 177.43 180.35 2opv n GLY 13 N 0.08 1.77 0.00 9.14 0.00 -1.26 -1.84 105.19 113.07 2opv n GLY 13 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2opv n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opv n GLY 14 N 0.00 -2.94 3.52 -0.02 0.00 -1.14 -4.13 105.19 100.47 2opv n GLY 14 Ca 0.00 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2opv n GLY 14 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2opv s GLN 15 N -1.40 3.33 -0.10 1.61 0.74 -0.36 -4.90 119.66 118.56 2opv s GLN 15 Ca 0.00 -0.30 -0.04 0.00 0.05 0.00 0.00 55.36 55.07 2opv s GLN 15 Cb 0.00 -4.02 -0.26 0.00 1.10 0.00 0.00 33.01 29.83 2opv s GLN 15 CO 0.00 -1.30 0.45 -0.97 -0.55 0.00 0.00 175.29 172.92 2opv h ASN 16 N 9.13 0.36 -2.78 6.67 -0.73 -1.83 -3.43 115.58 122.98 2opv h ASN 16 Ca -0.26 -0.79 -0.60 0.00 1.87 0.00 0.00 56.30 56.53 2opv h ASN 16 Cb 1.08 -0.12 -0.39 0.00 0.27 0.00 0.00 38.32 39.16 2opv h ASN 16 CO 1.02 1.70 -0.83 -0.83 -0.37 0.00 0.00 177.43 178.12 2opv s GLY 17 N -5.45 1.52 -0.02 1.57 0.00 -1.23 -4.55 107.32 99.15 2opv s GLY 17 Ca -0.19 -2.59 -0.30 0.00 0.00 0.00 0.00 44.72 41.64 2opv s GLY 17 CO 0.79 1.82 1.18 -1.59 0.00 0.00 0.00 173.10 175.30 2opv s THR 18 N 0.08 4.26 -0.10 0.90 2.01 0.11 -4.64 115.64 118.26 2opv s THR 18 Ca 0.25 1.60 0.00 0.00 0.31 0.00 0.00 61.69 63.86 2opv s THR 18 Cb -0.09 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.41 2opv s THR 18 CO -0.11 0.04 -0.09 0.54 -0.69 0.00 0.00 174.62 174.31 2opv s VAL 19 N 1.83 1.06 -0.24 3.82 0.11 -1.25 -0.61 120.40 125.12 2opv s VAL 19 Ca 0.56 -0.34 -0.00 0.00 -2.93 0.00 0.00 61.98 59.26 2opv s VAL 19 Cb -0.25 -1.04 0.03 0.00 -1.53 0.00 0.00 36.38 33.59 2opv s VAL 19 CO 0.24 0.36 -0.10 -1.10 -3.33 0.00 0.00 175.10 171.18 2opv s GLN 20 N 1.39 2.74 -0.33 1.54 -0.21 -1.02 -4.94 119.66 118.83 2opv s GLN 20 Ca -0.01 -1.03 -0.22 0.00 0.02 0.00 0.00 55.36 54.13 2opv s GLN 20 Cb -0.13 -2.89 0.00 0.00 1.00 0.00 0.00 33.01 30.99 2opv s GLN 20 CO -0.05 -0.40 0.71 -1.21 -2.12 0.00 0.00 175.29 172.23 2opv s GLU 21 N 1.27 3.82 0.14 2.91 2.02 -1.25 -2.82 118.70 124.79 2opv s GLU 21 Ca -0.01 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.30 2opv s GLU 21 Cb -0.17 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 2opv s GLU 21 CO -0.06 -0.71 0.30 0.42 0.02 0.00 0.00 175.26 175.22 2opv s ILE 22 N 2.85 5.30 -0.70 -1.63 -1.09 0.45 -4.87 121.20 121.52 2opv s ILE 22 Ca 0.28 -0.44 -0.08 0.00 -2.23 0.00 0.00 60.65 58.18 2opv s ILE 22 Cb -0.14 -3.70 0.18 0.00 -1.58 0.00 0.00 42.46 37.23 2opv s ILE 22 CO 0.14 -0.03 0.58 -0.04 -1.23 0.00 0.00 174.94 174.35 2opv s MET 23 N -2.99 3.02 -0.04 2.79 -1.94 -1.25 -1.25 119.30 117.63 2opv s MET 23 Ca 0.36 -2.43 -0.30 0.00 -1.71 0.00 0.00 55.69 51.62 2opv s MET 23 Cb -0.12 -4.06 -0.04 0.00 2.01 0.00 0.00 34.83 32.63 2opv s MET 23 CO 0.28 -1.23 1.20 0.42 -0.01 0.00 0.00 175.02 175.68 2opv s ILE 24 N 0.18 4.24 0.06 2.53 -1.09 0.23 -4.60 121.20 122.75 2opv s ILE 24 Ca 0.16 1.57 -0.37 0.00 -2.23 0.00 0.00 60.65 59.78 2opv s ILE 24 Cb -0.17 -4.01 -0.17 0.00 -1.58 0.00 0.00 42.46 36.54 2opv s ILE 24 CO -0.05 0.02 1.37 -2.65 -1.23 0.00 0.00 174.94 172.39 2opv n PRO 25 N 5.03 1.14 0.28 2.79 -0.02 -1.26 0.22 135.00 143.17 2opv n PRO 25 Ca 0.11 0.41 0.17 0.00 -2.02 0.00 0.00 63.50 62.16 2opv n PRO 25 Cb 0.46 -2.05 0.94 0.00 -0.02 0.00 0.00 33.50 32.83 2opv n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2opv h ALA 26 N 4.73 1.51 -0.02 3.55 0.00 -1.93 0.12 119.26 127.22 2opv h ALA 26 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2opv h ALA 26 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2opv h ALA 26 CO 0.79 -0.09 -0.15 0.41 0.00 0.00 0.00 179.25 180.21 2opv n GLY 27 N -1.30 0.28 0.43 0.00 0.00 -1.26 -4.08 105.19 99.26 2opv n GLY 27 Ca -0.02 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.52 2opv n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2opv n LYS 28 N 0.44 2.03 0.24 1.61 4.01 0.40 -4.62 118.16 122.27 2opv n LYS 28 Ca 0.14 -2.67 0.13 0.00 -0.51 0.00 0.00 58.31 55.40 2opv n LYS 28 Cb 0.47 -1.64 0.36 0.00 -0.51 0.00 0.00 35.03 33.71 2opv n LYS 28 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2opv h ALA 29 N 0.80 0.99 0.00 7.82 0.00 -1.68 -3.10 119.26 124.09 2opv h ALA 29 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2opv h ALA 29 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2opv h ALA 29 CO 0.10 0.04 0.00 0.78 0.00 0.00 0.00 179.25 180.16 2opv h GLY 30 N 3.20 0.00 0.41 0.00 0.00 -1.86 -2.38 103.07 102.44 2opv h GLY 30 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 2opv h GLY 30 CO 0.00 0.00 -2.16 1.04 0.00 0.00 0.00 176.54 175.43 2opv n LEU 31 N -2.73 2.51 0.05 3.11 4.77 -1.17 -1.96 117.00 121.58 2opv n LEU 31 Ca 0.01 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 56.04 2opv n LEU 31 Cb 0.25 -0.89 0.14 0.00 -2.33 0.00 0.00 43.42 40.60 2opv n LEU 31 CO 0.23 0.84 0.58 -0.37 -1.33 0.00 0.00 177.39 177.33 2opv h VAL 32 N 0.04 1.32 0.11 4.08 -1.51 -1.62 -3.20 116.25 115.47 2opv h VAL 32 Ca -0.47 -1.66 -0.23 0.00 -1.23 0.00 0.00 66.70 63.11 2opv h VAL 32 Cb 2.00 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 32.87 2opv h VAL 32 CO 0.03 0.51 -1.13 0.40 -1.23 0.00 0.00 177.57 176.14 2opv h ILE 33 N 0.31 1.22 0.00 7.19 2.04 -1.61 -3.30 117.51 123.36 2opv h ILE 33 Ca 0.02 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.45 2opv h ILE 33 Cb 0.93 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 2opv h ILE 33 CO 0.08 0.68 0.00 0.61 0.00 0.00 0.00 178.15 179.52 2opv n GLY 34 N 1.69 0.53 0.09 5.37 0.00 -0.83 -1.32 105.19 110.72 2opv n GLY 34 Ca -0.21 -2.32 -0.04 0.00 0.00 0.00 0.00 46.02 43.45 2opv n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2opv h LYS 35 N 8.50 0.00 0.00 1.61 1.79 -1.91 -3.36 116.57 123.20 2opv h LYS 35 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2opv h LYS 35 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2opv h LYS 35 CO 0.00 0.84 -0.30 0.41 -1.08 0.00 0.00 179.45 179.32 2opv n GLY 36 N 1.02 -0.29 0.62 3.86 0.00 -1.26 -4.98 105.19 104.16 2opv n GLY 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2opv n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opv n GLY 37 N 0.00 0.63 0.22 -0.02 0.00 -1.24 -4.95 105.19 99.83 2opv n GLY 37 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2opv n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2opv h GLU 38 N 4.48 0.48 0.48 1.61 9.09 -1.90 -3.05 114.58 125.77 2opv h GLU 38 Ca 0.00 -0.23 -0.02 0.00 0.05 0.00 0.00 59.36 59.16 2opv h GLU 38 Cb 0.00 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2opv h GLU 38 CO 0.00 0.79 -0.23 1.15 0.05 0.00 0.00 179.01 180.77 2opv h THR 39 N 0.40 0.50 -0.43 -1.06 2.02 -1.90 -0.93 112.91 111.52 2opv h THR 39 Ca 0.04 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2opv h THR 39 Cb 0.85 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2opv h THR 39 CO 0.07 0.04 0.28 -0.29 0.37 0.00 0.00 175.52 175.99 2opv h ILE 40 N -0.78 1.11 -0.31 3.11 2.10 -1.25 0.22 117.51 121.72 2opv h ILE 40 Ca -0.07 -0.20 -0.17 0.00 1.08 0.00 0.00 64.86 65.50 2opv h ILE 40 Cb 0.56 0.48 -0.00 0.00 -1.09 0.00 0.00 36.82 36.77 2opv h ILE 40 CO 0.11 0.11 -0.50 0.50 -1.08 0.00 0.00 178.15 177.29 2opv h LYS 41 N 0.58 0.86 -0.21 2.19 3.11 -1.42 -3.11 116.57 118.57 2opv h LYS 41 Ca 0.16 -0.51 -0.18 0.00 -2.81 0.00 0.00 60.65 57.30 2opv h LYS 41 Cb -0.06 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.21 2opv h LYS 41 CO -0.03 1.15 -0.60 1.96 -2.81 0.00 0.00 179.45 179.12 2opv h GLN 42 N 0.67 0.68 -0.68 1.90 1.08 0.11 -3.09 115.11 115.79 2opv h GLN 42 Ca 0.03 -0.46 0.11 0.00 -1.45 0.00 0.00 58.65 56.88 2opv h GLN 42 Cb 1.09 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 28.51 2opv h GLN 42 CO 0.11 1.08 0.28 -0.07 -0.95 0.00 0.00 178.83 179.28 2opv h LEU 43 N 0.51 0.30 -0.89 1.46 3.38 -0.59 0.89 115.31 120.37 2opv h LEU 43 Ca -0.00 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2opv h LEU 43 Cb 1.18 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2opv h LEU 43 CO 0.12 0.16 -0.32 1.56 0.09 0.00 0.00 178.44 180.05 2opv h GLN 44 N 0.47 0.43 0.00 1.13 4.20 -1.50 -0.57 115.11 119.27 2opv h GLN 44 Ca 0.35 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 2opv h GLN 44 Cb 0.44 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 2opv h GLN 44 CO -0.32 0.71 -0.59 0.93 -0.67 0.00 0.00 178.83 178.88 2opv h GLU 45 N 0.37 0.00 0.00 1.46 5.08 -1.20 -0.95 114.58 119.35 2opv h GLU 45 Ca 0.05 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.12 2opv h GLU 45 Cb 0.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2opv h GLU 45 CO 0.06 0.54 -1.65 0.07 -1.00 0.00 0.00 179.01 177.02 2opv h ARG 46 N 0.00 0.01 0.01 2.33 0.11 -0.68 -3.36 114.38 112.80 2opv h ARG 46 Ca -0.01 -0.01 -0.29 0.00 0.10 0.00 0.00 59.98 59.77 2opv h ARG 46 Cb 1.43 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.47 2opv h ARG 46 CO 0.07 0.55 -1.62 0.00 0.10 0.00 0.00 179.97 179.06 2opv h ALA 47 N 0.98 0.68 0.00 0.08 0.00 -1.19 -3.48 119.26 116.33 2opv h ALA 47 Ca -0.26 -1.38 0.00 0.00 0.00 0.00 0.00 54.91 53.27 2opv h ALA 47 Cb 1.99 0.41 0.00 0.00 0.00 0.00 0.00 17.79 20.19 2opv h ALA 47 CO 0.08 1.51 0.00 0.41 0.00 0.00 0.00 179.25 181.26 2opv n GLY 48 N 1.55 0.88 3.99 0.00 0.00 -0.37 -4.89 105.19 106.36 2opv n GLY 48 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 2opv n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2opv s VAL 49 N -2.69 1.90 -0.19 1.61 -7.23 -1.20 -4.97 120.40 107.63 2opv s VAL 49 Ca 0.00 -1.18 -0.04 0.00 -1.81 0.00 0.00 61.98 58.95 2opv s VAL 49 Cb 0.00 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 2opv s VAL 49 CO 0.00 0.00 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.01 2opv s LYS 50 N -4.55 3.55 -0.14 4.82 2.36 -0.42 -4.48 119.74 120.88 2opv s LYS 50 Ca 0.52 -0.56 0.02 0.00 -2.55 0.00 0.00 55.97 53.40 2opv s LYS 50 Cb -0.04 -2.99 0.01 0.00 -1.05 0.00 0.00 37.83 33.75 2opv s LYS 50 CO 0.33 0.03 -0.21 -1.64 1.55 0.00 0.00 175.35 175.41 2opv s MET 51 N 0.93 3.06 -0.31 4.03 -1.94 -1.26 -0.06 119.30 123.75 2opv s MET 51 Ca 0.00 -0.83 -0.01 0.00 -1.71 0.00 0.00 55.69 53.14 2opv s MET 51 Cb -0.14 -2.47 0.06 0.00 2.01 0.00 0.00 34.83 34.29 2opv s MET 51 CO 0.01 0.00 0.02 -1.50 -0.01 0.00 0.00 175.02 173.54 2opv s ILE 52 N 0.79 2.86 -0.66 2.53 2.07 -0.28 -4.98 121.20 123.52 2opv s ILE 52 Ca -0.07 -1.60 -0.27 0.00 -1.41 0.00 0.00 60.65 57.30 2opv s ILE 52 Cb -0.16 -2.73 0.03 0.00 0.13 0.00 0.00 42.46 39.74 2opv s ILE 52 CO -0.01 -0.22 1.20 -0.76 -1.91 0.00 0.00 174.94 173.24 2opv s LEU 53 N 1.19 3.41 -1.12 8.50 2.01 -1.26 -1.91 118.68 129.49 2opv s LEU 53 Ca -0.02 -0.26 -0.21 0.00 0.01 0.00 0.00 54.13 53.64 2opv s LEU 53 Cb -0.20 -2.81 0.04 0.00 0.01 0.00 0.00 46.19 43.23 2opv s LEU 53 CO -0.03 -1.63 1.64 -0.63 1.01 0.00 0.00 176.35 176.71 2opv s ILE 54 N 5.21 3.92 0.00 -0.59 1.01 0.16 -4.35 121.20 126.56 2opv s ILE 54 Ca 0.37 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2opv s ILE 54 Cb -0.09 -4.97 0.00 0.00 0.01 0.00 0.00 42.46 37.41 2opv s ILE 54 CO 0.19 -1.80 0.00 0.00 0.00 0.00 0.00 174.94 173.33 2opv n GLN 55 N 8.67 4.92 0.09 2.79 -0.00 -1.26 -4.18 117.38 128.41 2opv n GLN 55 Ca 0.40 0.00 -0.18 0.00 -0.00 0.00 0.00 57.00 57.22 2opv n GLN 55 Cb 0.48 -0.64 -0.14 0.00 -0.00 0.00 0.00 30.24 29.94 2opv n GLN 55 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 2opv h ASP 56 N 0.00 0.50 -3.31 2.61 3.58 -2.01 -3.43 116.42 114.36 2opv h ASP 56 Ca 0.00 -0.60 -0.57 0.00 0.42 0.00 0.00 57.03 56.28 2opv h ASP 56 Cb 0.00 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 40.83 2opv h ASP 56 CO 0.00 1.48 0.97 -0.83 -2.88 0.00 0.00 179.24 177.98 2opv s GLY 57 N -4.79 1.33 -1.33 -0.78 0.00 -1.26 -4.94 107.32 95.54 2opv s GLY 57 Ca -0.08 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.44 2opv s GLY 57 CO 0.88 2.55 1.95 -1.14 0.00 0.00 0.00 173.10 177.34 2opv n SER 58 N 7.83 4.74 0.00 1.64 3.41 -1.26 -4.25 113.62 125.73 2opv n SER 58 Ca 0.14 -3.02 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 2opv n SER 58 Cb 0.47 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 2opv n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2opv n GLN 59 N 4.70 0.00 -0.59 4.33 3.00 -1.26 -4.79 117.38 122.77 2opv n GLN 59 Ca 0.43 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.46 2opv n GLN 59 Cb 0.38 -0.70 0.20 0.00 0.00 0.00 0.00 30.24 30.12 2opv n GLN 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2opv n ASN 60 N -2.73 2.08 0.17 1.08 4.13 -1.26 -4.72 115.26 114.01 2opv n ASN 60 Ca 0.00 -3.75 0.05 0.00 1.68 0.00 0.00 54.58 52.56 2opv n ASN 60 Cb 0.47 -0.55 0.22 0.00 -1.54 0.00 0.00 39.78 38.38 2opv n ASN 60 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2opv h THR 61 N 0.92 0.83 -0.01 3.41 1.35 -1.84 -2.78 112.91 114.78 2opv h THR 61 Ca 0.06 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 2opv h THR 61 Cb 1.21 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 2opv h THR 61 CO 0.12 0.40 -0.05 -3.20 -0.25 0.00 0.00 175.52 172.55 2opv n ASN 62 N -3.38 1.35 0.00 5.36 5.15 -1.26 -4.90 115.26 117.57 2opv n ASN 62 Ca 0.01 -1.36 0.00 0.00 -0.60 0.00 0.00 54.58 52.63 2opv n ASN 62 Cb 0.60 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2opv n VAL 63 N -0.03 0.00 -1.93 3.44 0.24 -1.05 -5.05 118.33 113.95 2opv n VAL 63 Ca 0.18 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.08 2opv n VAL 63 Cb 0.34 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.72 2opv n VAL 63 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2opv s ASP 64 N 1.00 6.04 -0.13 -1.34 1.11 -1.26 -4.33 116.67 117.77 2opv s ASP 64 Ca 0.00 2.76 -0.18 0.00 0.18 0.00 0.00 52.55 55.31 2opv s ASP 64 Cb 0.00 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 2opv s ASP 64 CO 0.00 -1.05 0.48 -0.54 1.18 0.00 0.00 175.17 175.25 2opv s LYS 65 N -2.40 4.32 -0.27 8.23 -0.14 0.13 -4.68 119.74 124.94 2opv s LYS 65 Ca 0.60 0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 55.37 2opv s LYS 65 Cb -0.40 -3.45 -0.03 0.00 -1.68 0.00 0.00 37.83 32.27 2opv s LYS 65 CO 0.51 0.11 1.81 -2.14 -0.76 0.00 0.00 175.35 174.89 2opv s PRO 66 N 0.77 3.47 -0.26 -1.68 0.02 -1.26 -0.60 135.00 135.46 2opv s PRO 66 Ca 0.26 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 62.89 2opv s PRO 66 Cb -0.15 -4.18 0.03 0.00 0.02 0.00 0.00 34.50 30.22 2opv s PRO 66 CO 0.10 -1.69 -0.04 -1.17 -0.33 0.00 0.00 177.00 173.87 2opv s LEU 67 N 6.50 3.33 -0.37 -5.54 2.96 -0.38 -0.66 118.68 124.51 2opv s LEU 67 Ca 0.81 -0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 53.71 2opv s LEU 67 Cb -0.26 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.77 2opv s LEU 67 CO 0.33 -0.15 0.21 -0.13 -1.32 0.00 0.00 176.35 175.29 2opv s ARG 68 N 1.33 2.86 -0.46 1.98 0.52 -0.80 -0.41 118.95 123.97 2opv s ARG 68 Ca -0.00 -1.06 -0.19 0.00 -0.52 0.00 0.00 55.73 53.96 2opv s ARG 68 Cb -0.17 -3.73 0.04 0.00 0.52 0.00 0.00 34.95 31.61 2opv s ARG 68 CO -0.03 -0.68 0.59 0.42 0.02 0.00 0.00 175.30 175.61 2opv s ILE 69 N 1.56 4.91 -0.09 1.52 1.09 -1.13 -1.13 121.20 127.94 2opv s ILE 69 Ca 0.02 -0.23 0.03 0.00 -1.10 0.00 0.00 60.65 59.38 2opv s ILE 69 Cb -0.19 -4.20 -0.01 0.00 -1.06 0.00 0.00 42.46 37.00 2opv s ILE 69 CO 0.07 -0.63 -0.18 -0.63 -0.10 0.00 0.00 174.94 173.46 2opv s ILE 70 N 2.58 2.62 0.00 2.92 1.01 0.91 -2.44 121.20 128.80 2opv s ILE 70 Ca 0.17 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2opv s ILE 70 Cb -0.17 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2opv s ILE 70 CO 0.15 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.26 2opv n GLY 71 N 3.07 -0.12 3.66 6.18 0.00 0.22 -1.30 105.19 116.90 2opv n GLY 71 Ca -0.18 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 2opv n GLY 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2opv s ASP 72 N -4.00 5.65 0.59 1.61 -1.08 -1.26 0.08 116.67 118.25 2opv s ASP 72 Ca 0.00 0.12 0.28 0.00 -0.52 0.00 0.00 52.55 52.44 2opv s ASP 72 Cb 0.00 -1.92 1.57 0.00 -1.46 0.00 0.00 42.92 41.11 2opv s ASP 72 CO 0.00 0.22 2.01 -0.65 0.52 0.00 0.00 175.17 177.27 2opv h PRO 73 N 6.34 0.00 0.07 4.34 0.11 -1.87 0.37 132.00 141.36 2opv h PRO 73 Ca -0.40 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 2opv h PRO 73 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2opv h PRO 73 CO 0.67 0.00 -0.03 -0.92 -0.21 0.00 0.00 178.00 177.51 2opv h TYR 74 N 0.00 -0.08 0.00 0.65 3.20 -1.94 -3.17 116.97 115.63 2opv h TYR 74 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2opv h TYR 74 Cb 0.80 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2opv h TYR 74 CO 0.00 0.48 -0.30 1.57 -1.64 0.00 0.00 178.16 178.27 2opv h LYS 75 N -0.90 0.00 -0.65 1.82 2.10 -1.74 -1.92 116.57 115.28 2opv h LYS 75 Ca -0.01 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 2opv h LYS 75 Cb 0.60 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.90 2opv h LYS 75 CO 0.02 0.00 0.23 0.28 -2.00 0.00 0.00 179.45 177.98 2opv h VAL 76 N 0.00 1.23 0.10 0.07 2.07 -0.42 0.31 116.25 119.62 2opv h VAL 76 Ca 0.00 -0.77 -0.27 0.00 0.82 0.00 0.00 66.70 66.49 2opv h VAL 76 Cb 0.88 0.49 0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2opv h VAL 76 CO 0.00 0.30 -1.10 1.56 0.02 0.00 0.00 177.57 178.35 2opv h GLN 77 N 0.94 0.57 -0.44 1.57 1.08 -1.49 -0.97 115.11 116.37 2opv h GLN 77 Ca 0.22 -0.74 0.06 0.00 -1.45 0.00 0.00 58.65 56.73 2opv h GLN 77 Cb 0.22 0.24 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 2opv h GLN 77 CO -0.01 1.33 0.15 1.96 -0.95 0.00 0.00 178.83 181.30 2opv h GLN 78 N 0.16 0.30 -0.53 1.46 4.20 -1.23 0.20 115.11 119.68 2opv h GLN 78 Ca -0.17 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 2opv h GLN 78 Cb 1.79 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.48 2opv h GLN 78 CO 0.21 0.20 -0.07 0.00 -0.67 0.00 0.00 178.83 178.50 2opv h ALA 79 N 1.30 0.88 0.19 3.87 0.00 -0.40 0.18 119.26 125.28 2opv h ALA 79 Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2opv h ALA 79 Cb 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2opv h ALA 79 CO -0.22 0.65 -0.09 0.00 0.00 0.00 0.00 179.25 179.58 2opv h GLU 81 N -0.38 0.12 0.17 0.00 5.08 -0.53 0.10 114.58 119.14 2opv h GLU 81 Ca -0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2opv h GLU 81 Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2opv h GLU 81 CO 0.04 0.27 -0.08 1.98 -1.00 0.00 0.00 179.01 180.22 2opv h MET 82 N 0.11 -0.21 0.01 2.33 4.05 -0.22 -0.78 114.93 120.22 2opv h MET 82 Ca 0.02 0.01 -0.23 0.00 -0.28 0.00 0.00 59.70 59.23 2opv h MET 82 Cb 0.33 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 2opv h MET 82 CO 0.02 0.06 -0.96 -0.39 0.23 0.00 0.00 176.91 175.87 2opv h VAL 83 N -0.48 1.41 0.00 -5.77 -1.51 -0.59 -2.92 116.25 106.40 2opv h VAL 83 Ca -0.02 -2.50 -0.07 0.00 -1.23 0.00 0.00 66.70 62.88 2opv h VAL 83 Cb 0.37 2.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.98 2opv h VAL 83 CO 0.04 0.74 -0.34 0.24 -1.23 0.00 0.00 177.57 177.02 2opv h MET 84 N 0.21 0.00 -0.59 5.19 2.07 -0.87 -2.37 114.93 118.58 2opv h MET 84 Ca -0.08 0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.48 2opv h MET 84 Cb 1.60 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 31.30 2opv h MET 84 CO 0.16 0.34 0.08 0.22 1.07 0.00 0.00 176.91 178.79 2opv h ASP 85 N 0.00 0.92 0.27 1.22 3.58 -0.98 0.31 116.42 121.73 2opv h ASP 85 Ca -0.00 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 2opv h ASP 85 Cb 0.65 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 2opv h ASP 85 CO 0.04 0.93 -0.13 0.40 -2.88 0.00 0.00 179.24 177.60 2opv h ILE 86 N 0.90 0.77 0.00 2.25 2.04 -1.25 -0.63 117.51 121.60 2opv h ILE 86 Ca 0.18 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2opv h ILE 86 Cb 0.41 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2opv h ILE 86 CO 0.01 0.13 -0.92 0.18 0.00 0.00 0.00 178.15 177.55 2opv n LEU 87 N -3.90 0.85 -0.05 1.44 4.77 -0.85 -4.26 117.00 115.00 2opv n LEU 87 Ca -0.02 -0.36 -0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2opv n LEU 87 Cb 0.23 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.10 2opv n LEU 87 CO 0.32 0.21 -0.93 -1.14 -1.33 0.00 0.00 177.39 174.52 2opv n ARG 88 N -1.54 0.67 0.00 3.23 3.00 0.04 -5.09 116.66 116.97 2opv n ARG 88 Ca 0.04 -0.08 0.04 0.00 -0.00 0.00 0.00 57.85 57.85 2opv n ARG 88 Cb 0.34 -1.54 0.03 0.00 0.00 0.00 0.00 32.46 31.30 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72