#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opv n GLN 6 N 0.00 -1.59 0.00 1.61 1.13 -1.26 -3.57 117.38 113.70 2opv n GLN 6 Ca 0.00 0.98 0.00 0.00 -1.94 0.00 0.00 57.00 56.04 2opv n GLN 6 Cb 0.00 -5.58 0.00 0.00 0.11 0.00 0.00 30.24 24.77 2opv n GLN 6 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2opv n PHE 7 N -3.97 0.00 -2.92 1.08 3.01 -1.26 -3.92 117.46 109.48 2opv n PHE 7 Ca -0.24 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 57.89 2opv n PHE 7 Cb 0.68 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.13 2opv n PHE 7 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2opv n HIS 8 N 0.00 3.33 0.00 1.38 -0.00 -1.26 -3.91 115.22 114.75 2opv n HIS 8 Ca 0.00 -3.35 0.00 0.00 0.46 0.00 0.00 57.72 54.83 2opv n HIS 8 Cb 0.00 -0.84 0.00 0.00 -0.12 0.00 0.00 29.99 29.03 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 0.18 0.00 0.00 0.26 2.03 -1.23 -2.11 116.55 115.68 2opv n ASP 9 Ca 0.36 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.67 2opv n ASP 9 Cb 0.34 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 2opv n ASP 9 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2opv n ASN 10 N 1.52 0.01 -3.67 1.67 5.15 -1.26 -4.86 115.26 113.82 2opv n ASN 10 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 2opv n ASN 10 Cb 0.00 -0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.16 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2opv s ALA 11 N -2.00 -1.47 -0.08 5.20 0.00 -0.90 -5.07 121.76 117.44 2opv s ALA 11 Ca 0.00 1.97 -0.06 0.00 0.00 0.00 0.00 51.96 53.87 2opv s ALA 11 Cb 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 2opv s ALA 11 CO 0.00 -0.32 -0.12 -1.71 0.00 0.00 0.00 175.76 173.61 2opv n ASN 12 N 4.22 1.05 0.00 0.00 2.85 -1.26 -4.90 115.26 117.22 2opv n ASN 12 Ca -0.21 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 2opv n ASN 12 Cb 0.57 -0.70 0.00 0.00 1.24 0.00 0.00 39.78 40.89 2opv n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2opv n GLY 13 N 1.64 -0.03 0.83 8.20 0.00 -1.26 -4.98 105.19 109.58 2opv n GLY 13 Ca -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.09 3.59 -0.02 0.00 -1.26 -4.96 105.19 102.45 2opv n GLY 14 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2opv n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2opv s GLN 15 N -1.71 3.48 0.00 1.61 -0.21 -1.26 -4.89 119.66 116.68 2opv s GLN 15 Ca -0.04 0.77 0.00 0.00 0.02 0.00 0.00 55.36 56.12 2opv s GLN 15 Cb 0.00 -4.06 0.00 0.00 1.00 0.00 0.00 33.01 29.96 2opv s GLN 15 CO 0.05 -1.70 0.00 -1.71 -2.12 0.00 0.00 175.29 169.82 2opv n ASN 16 N 9.10 0.00 -4.54 5.90 5.15 -1.26 -4.73 115.26 124.88 2opv n ASN 16 Ca 0.15 0.20 -0.41 0.00 -0.60 0.00 0.00 54.58 53.92 2opv n ASN 16 Cb 0.48 -0.47 -0.03 0.00 -0.53 0.00 0.00 39.78 39.24 2opv n ASN 16 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2opv s GLY 17 N -2.47 0.96 -0.07 8.20 0.00 -1.26 -4.41 107.32 108.26 2opv s GLY 17 Ca 0.00 -1.46 0.04 0.00 0.00 0.00 0.00 44.72 43.30 2opv s GLY 17 CO 0.00 2.57 -0.18 -1.59 0.00 0.00 0.00 173.10 173.90 2opv s THR 18 N 5.50 2.67 -0.02 0.90 2.01 -0.06 -4.96 115.64 121.67 2opv s THR 18 Ca 0.34 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2opv s THR 18 Cb -0.09 -2.04 0.01 0.00 0.01 0.00 0.00 72.50 70.39 2opv s THR 18 CO 0.14 0.57 -0.04 0.54 -0.69 0.00 0.00 174.62 175.14 2opv s VAL 19 N -0.27 0.39 -0.17 3.82 0.11 -1.26 -0.20 120.40 122.82 2opv s VAL 19 Ca 0.01 -0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 58.91 2opv s VAL 19 Cb -0.13 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 2opv s VAL 19 CO 0.03 0.16 -0.05 -1.10 -3.33 0.00 0.00 175.10 170.80 2opv s GLN 20 N 0.48 3.54 -0.26 1.54 -0.21 -0.64 -4.94 119.66 119.18 2opv s GLN 20 Ca -0.05 -0.58 -0.10 0.00 0.02 0.00 0.00 55.36 54.65 2opv s GLN 20 Cb -0.09 -2.91 -0.05 0.00 1.00 0.00 0.00 33.01 30.97 2opv s GLN 20 CO -0.00 0.10 0.15 -1.21 -2.12 0.00 0.00 175.29 172.21 2opv s GLU 21 N 0.71 3.94 0.20 2.91 2.02 -1.25 -1.48 118.70 125.75 2opv s GLU 21 Ca -0.03 -0.33 0.09 0.00 0.02 0.00 0.00 54.97 54.72 2opv s GLU 21 Cb -0.15 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 2opv s GLU 21 CO 0.02 -0.08 -0.07 0.42 0.02 0.00 0.00 175.26 175.57 2opv s ILE 22 N 1.43 3.26 -0.47 -1.63 -1.09 0.63 -4.93 121.20 118.41 2opv s ILE 22 Ca 0.07 -1.73 -0.03 0.00 -2.23 0.00 0.00 60.65 56.73 2opv s ILE 22 Cb -0.15 -2.65 0.12 0.00 -1.58 0.00 0.00 42.46 38.20 2opv s ILE 22 CO 0.07 -0.18 0.28 -0.04 -1.23 0.00 0.00 174.94 173.84 2opv s MET 23 N -3.06 2.19 -0.10 2.79 -1.94 -1.24 -0.73 119.30 117.20 2opv s MET 23 Ca 0.27 -2.00 -0.26 0.00 -1.71 0.00 0.00 55.69 51.99 2opv s MET 23 Cb -0.08 -3.65 -0.02 0.00 2.01 0.00 0.00 34.83 33.08 2opv s MET 23 CO 0.17 -1.11 0.83 0.42 -0.01 0.00 0.00 175.02 175.32 2opv s ILE 24 N 0.85 4.92 0.10 2.53 -1.09 0.26 -4.54 121.20 124.23 2opv s ILE 24 Ca 0.10 1.69 -0.36 0.00 -2.23 0.00 0.00 60.65 59.85 2opv s ILE 24 Cb -0.22 -4.16 -0.16 0.00 -1.58 0.00 0.00 42.46 36.34 2opv s ILE 24 CO -0.04 0.12 1.35 -2.65 -1.23 0.00 0.00 174.94 172.49 2opv n PRO 25 N 4.51 1.27 0.02 2.79 -0.02 -1.26 0.75 135.00 143.05 2opv n PRO 25 Ca 0.03 0.46 0.19 0.00 -2.02 0.00 0.00 63.50 62.17 2opv n PRO 25 Cb 0.50 -2.10 0.69 0.00 -0.02 0.00 0.00 33.50 32.57 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 4.60 2.46 0.03 3.55 0.00 -1.91 0.57 119.26 128.56 2opv h ALA 26 Ca -0.47 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.14 2opv h ALA 26 Cb 1.33 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2opv h ALA 26 CO 0.78 -0.61 -1.58 0.78 0.00 0.00 0.00 179.25 178.63 2opv h GLY 27 N 0.00 0.07 -0.79 0.00 0.00 -1.91 -3.35 103.07 97.10 2opv h GLY 27 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2opv h GLY 27 CO -0.00 0.15 -0.11 1.17 0.00 0.00 0.00 176.54 177.75 2opv n LYS 28 N -3.20 1.63 0.29 4.80 3.00 -0.44 -4.00 118.16 120.25 2opv n LYS 28 Ca -0.15 -1.14 0.18 0.00 -0.00 0.00 0.00 58.31 57.20 2opv n LYS 28 Cb 1.03 -1.48 0.86 0.00 0.00 0.00 0.00 35.03 35.45 2opv n LYS 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2opv h ALA 29 N 4.26 1.08 -0.72 3.14 0.00 -1.08 -2.67 119.26 123.27 2opv h ALA 29 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2opv h ALA 29 Cb 0.67 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2opv h ALA 29 CO 0.00 0.05 0.46 0.78 0.00 0.00 0.00 179.25 180.54 2opv h GLY 30 N 1.08 1.01 2.00 0.00 0.00 -1.83 -2.61 103.07 102.72 2opv h GLY 30 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 2opv h GLY 30 CO 0.01 0.38 -0.57 1.41 0.00 0.00 0.00 176.54 177.76 2opv h LEU 31 N 0.97 0.00 -0.64 3.11 3.38 -1.71 0.19 115.31 120.62 2opv h LEU 31 Ca 0.26 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 2opv h LEU 31 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2opv h LEU 31 CO -0.05 0.57 -0.39 0.58 0.09 0.00 0.00 178.44 179.24 2opv h VAL 32 N 0.00 1.29 0.17 1.22 2.07 -1.58 -3.25 116.25 116.17 2opv h VAL 32 Ca -0.01 -1.55 -0.34 0.00 0.82 0.00 0.00 66.70 65.63 2opv h VAL 32 Cb 1.20 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2opv h VAL 32 CO 0.07 0.49 -1.73 0.40 0.02 0.00 0.00 177.57 176.83 2opv h ILE 33 N 0.52 0.91 0.00 4.57 2.04 -1.34 -3.34 117.51 120.87 2opv h ILE 33 Ca 0.05 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.44 2opv h ILE 33 Cb 0.90 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 2opv h ILE 33 CO 0.08 0.84 0.00 0.61 0.00 0.00 0.00 178.15 179.68 2opv n GLY 34 N 1.86 0.45 0.10 5.37 0.00 0.66 -0.53 105.19 113.09 2opv n GLY 34 Ca -0.26 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.52 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 8.72 0.00 0.00 1.61 1.79 -1.91 -3.39 116.57 123.38 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 0.67 -0.08 0.41 -1.08 0.00 0.00 179.45 179.37 2opv n GLY 36 N 1.33 -1.47 0.39 3.86 0.00 -1.26 -4.99 105.19 103.06 2opv n GLY 36 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.89 0.12 -0.02 0.00 -1.25 -4.98 105.19 99.95 2opv n GLY 37 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 1.14 0.29 0.58 1.61 -0.00 -1.91 -3.33 114.58 112.97 2opv h GLU 38 Ca 0.00 -0.50 -0.03 0.00 -0.00 0.00 0.00 59.36 58.83 2opv h GLU 38 Cb 0.00 0.19 0.01 0.00 -0.00 0.00 0.00 28.75 28.94 2opv h GLU 38 CO 0.00 1.17 -0.28 1.15 -0.00 0.00 0.00 179.01 181.05 2opv h THR 39 N 0.08 0.42 -0.22 -1.06 2.02 -1.87 -1.70 112.91 110.59 2opv h THR 39 Ca -0.29 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 66.92 2opv h THR 39 Cb 2.05 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 2opv h THR 39 CO 0.16 0.01 0.28 -0.29 0.37 0.00 0.00 175.52 176.05 2opv h ILE 40 N -0.80 0.36 0.07 3.11 2.10 -0.95 0.34 117.51 121.74 2opv h ILE 40 Ca -0.08 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.75 2opv h ILE 40 Cb 0.61 0.77 0.01 0.00 -1.09 0.00 0.00 36.82 37.12 2opv h ILE 40 CO 0.13 0.00 -0.47 0.50 -1.08 0.00 0.00 178.15 177.23 2opv h LYS 41 N 0.00 0.19 -0.22 2.19 3.64 -1.55 -3.32 116.57 117.50 2opv h LYS 41 Ca 0.10 -0.30 -0.14 0.00 -1.27 0.00 0.00 60.65 59.05 2opv h LYS 41 Cb 0.66 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2opv h LYS 41 CO -0.00 1.12 -0.44 -0.56 -2.27 0.00 0.00 179.45 177.30 2opv h GLN 42 N -0.59 0.53 -0.63 1.90 3.07 -0.30 -3.13 115.11 115.96 2opv h GLN 42 Ca -0.08 -0.29 0.10 0.00 0.09 0.00 0.00 58.65 58.48 2opv h GLN 42 Cb 1.34 0.01 -0.08 0.00 0.08 0.00 0.00 27.48 28.84 2opv h GLN 42 CO 0.09 0.87 0.22 -0.07 0.09 0.00 0.00 178.83 180.03 2opv h LEU 43 N 0.43 0.19 -1.00 0.06 3.38 -1.11 0.05 115.31 117.30 2opv h LEU 43 Ca 0.03 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2opv h LEU 43 Cb 0.94 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2opv h LEU 43 CO 0.08 0.10 -0.29 1.56 0.09 0.00 0.00 178.44 179.99 2opv h GLN 44 N 0.38 0.37 -0.04 1.13 4.20 -1.64 0.77 115.11 120.28 2opv h GLN 44 Ca 0.32 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.74 2opv h GLN 44 Cb 0.43 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2opv h GLN 44 CO -0.34 0.63 -0.66 0.93 -0.67 0.00 0.00 178.83 178.71 2opv h GLU 45 N 0.32 0.17 0.08 1.46 4.39 -1.11 -2.36 114.58 117.54 2opv h GLU 45 Ca 0.05 -0.13 -0.35 0.00 0.34 0.00 0.00 59.36 59.26 2opv h GLU 45 Cb 0.68 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 2opv h GLU 45 CO 0.05 0.77 -1.98 2.89 -1.16 0.00 0.00 179.01 179.58 2opv n ARG 46 N -3.81 0.70 0.09 2.33 1.85 -0.15 -4.32 116.66 113.36 2opv n ARG 46 Ca -0.02 0.30 -0.06 0.00 -1.00 0.00 0.00 57.85 57.07 2opv n ARG 46 Cb 0.66 -1.67 0.05 0.00 -1.05 0.00 0.00 32.46 30.44 2opv n ARG 46 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2opv h ALA 47 N -0.09 0.68 0.00 2.89 0.00 -0.97 -3.47 119.26 118.30 2opv h ALA 47 Ca -0.45 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.78 2opv h ALA 47 Cb 1.87 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2opv h ALA 47 CO -0.02 0.89 0.00 0.41 0.00 0.00 0.00 179.25 180.53 2opv n GLY 48 N 0.67 0.89 3.95 0.00 0.00 -0.89 -4.89 105.19 104.92 2opv n GLY 48 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.63 3.07 -0.24 1.61 -7.23 -1.25 -4.65 120.40 109.09 2opv s VAL 49 Ca 0.00 -1.13 -0.10 0.00 -1.81 0.00 0.00 61.98 58.94 2opv s VAL 49 Cb 0.00 -3.06 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 2opv s VAL 49 CO 0.00 -0.03 0.14 -0.75 -0.31 0.00 0.00 175.10 174.15 2opv s LYS 50 N -4.23 3.99 -0.29 4.82 2.20 0.46 -4.37 119.74 122.31 2opv s LYS 50 Ca 0.51 -0.31 -0.06 0.00 -0.36 0.00 0.00 55.97 55.75 2opv s LYS 50 Cb -0.08 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2opv s LYS 50 CO 0.31 0.03 0.06 -1.64 -0.36 0.00 0.00 175.35 173.75 2opv s MET 51 N 1.12 3.03 -0.39 4.03 -1.94 -1.26 -0.29 119.30 123.59 2opv s MET 51 Ca 0.07 -0.89 -0.06 0.00 -1.71 0.00 0.00 55.69 53.09 2opv s MET 51 Cb -0.14 -3.31 0.08 0.00 2.01 0.00 0.00 34.83 33.47 2opv s MET 51 CO 0.05 -0.45 0.19 -1.50 -0.01 0.00 0.00 175.02 173.31 2opv s ILE 52 N 1.46 3.79 -0.64 2.53 2.07 -0.59 -5.02 121.20 124.80 2opv s ILE 52 Ca 0.02 -1.52 -0.27 0.00 -1.41 0.00 0.00 60.65 57.46 2opv s ILE 52 Cb -0.17 -3.34 0.02 0.00 0.13 0.00 0.00 42.46 39.10 2opv s ILE 52 CO 0.01 -0.46 1.35 -0.76 -1.91 0.00 0.00 174.94 173.18 2opv s LEU 53 N 1.33 3.30 -1.02 8.50 2.01 -1.26 -2.63 118.68 128.92 2opv s LEU 53 Ca 0.03 -0.04 -0.23 0.00 0.01 0.00 0.00 54.13 53.89 2opv s LEU 53 Cb -0.22 -2.83 0.01 0.00 0.01 0.00 0.00 46.19 43.16 2opv s LEU 53 CO 0.00 -1.77 1.67 -0.63 1.01 0.00 0.00 176.35 176.63 2opv s ILE 54 N 5.97 3.76 -0.93 -0.59 1.01 -0.71 -4.73 121.20 124.98 2opv s ILE 54 Ca 0.45 -0.75 0.24 0.00 0.00 0.00 0.00 60.65 60.59 2opv s ILE 54 Cb -0.09 -4.70 -0.07 0.00 0.01 0.00 0.00 42.46 37.61 2opv s ILE 54 CO 0.21 -1.57 1.22 0.00 0.00 0.00 0.00 174.94 174.80 2opv n GLN 55 N 8.80 0.05 -0.06 2.79 1.13 -1.26 -4.29 117.38 124.54 2opv n GLN 55 Ca 0.37 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.44 2opv n GLN 55 Cb 0.49 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.32 2opv n GLN 55 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2opv n ASP 56 N -1.59 0.00 -2.31 1.08 5.68 -1.26 -4.85 116.55 113.30 2opv n ASP 56 Ca 0.04 -1.08 -0.34 0.00 -0.50 0.00 0.00 54.79 52.91 2opv n ASP 56 Cb 0.35 -0.02 0.08 0.00 -1.14 0.00 0.00 41.12 40.39 2opv n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2opv n GLY 57 N 0.00 5.89 3.75 6.12 0.00 -1.26 -4.94 105.19 114.75 2opv n GLY 57 Ca 0.00 -2.32 0.04 0.00 0.00 0.00 0.00 46.02 43.74 2opv n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2opv s SER 58 N -1.92 -0.01 0.00 1.61 0.15 -1.26 -4.99 113.70 107.28 2opv s SER 58 Ca 0.64 -0.04 0.13 0.00 0.70 0.00 0.00 55.95 57.38 2opv s SER 58 Cb 0.50 0.04 0.24 0.00 -1.71 0.00 0.00 66.02 65.09 2opv s SER 58 CO -0.01 -0.07 1.11 0.00 1.20 0.00 0.00 173.24 175.48 2opv n GLN 59 N -0.69 1.84 -0.18 5.44 6.02 -1.26 -4.17 117.38 124.39 2opv n GLN 59 Ca -0.03 -1.73 0.02 0.00 -0.01 0.00 0.00 57.00 55.25 2opv n GLN 59 Cb 0.62 -1.29 0.09 0.00 1.02 0.00 0.00 30.24 30.68 2opv n GLN 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2opv n ASN 60 N 0.75 1.73 0.30 1.08 5.03 -1.26 -4.07 115.26 118.82 2opv n ASN 60 Ca 0.11 -2.14 0.17 0.00 0.87 0.00 0.00 54.58 53.59 2opv n ASN 60 Cb 0.40 -0.38 0.96 0.00 -1.02 0.00 0.00 39.78 39.74 2opv n ASN 60 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2opv h THR 61 N 1.04 0.34 -0.32 3.41 1.35 -1.85 -1.39 112.91 115.48 2opv h THR 61 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2opv h THR 61 Cb 0.63 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2opv h THR 61 CO 0.08 0.03 0.00 0.59 -0.25 0.00 0.00 175.52 175.96 2opv n ASN 62 N -3.51 2.95 0.00 5.36 4.13 -1.26 -4.98 115.26 117.96 2opv n ASN 62 Ca -0.02 -1.88 0.00 0.00 1.68 0.00 0.00 54.58 54.36 2opv n ASN 62 Cb 0.13 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2opv n VAL 63 N 0.92 0.00 -1.69 2.41 0.24 -0.52 -4.91 118.33 114.78 2opv n VAL 63 Ca 0.14 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 62.00 2opv n VAL 63 Cb 0.46 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 2opv n VAL 63 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2opv n ASP 64 N 0.00 3.79 -4.76 -1.34 8.00 -1.26 -3.69 116.55 117.30 2opv n ASP 64 Ca 0.00 1.02 -0.38 0.00 0.71 0.00 0.00 54.79 56.14 2opv n ASP 64 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 41.12 39.53 2opv n ASP 64 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2opv s LYS 65 N 2.17 4.28 -0.18 -1.24 -0.14 0.23 -4.67 119.74 120.18 2opv s LYS 65 Ca 0.81 0.59 -0.29 0.00 -1.36 0.00 0.00 55.97 55.72 2opv s LYS 65 Cb -0.55 -3.36 -0.05 0.00 -1.68 0.00 0.00 37.83 32.19 2opv s LYS 65 CO 0.38 0.32 1.90 -1.25 -0.76 0.00 0.00 175.35 175.94 2opv s PRO 66 N 0.03 3.60 -0.09 -1.68 0.04 -1.26 -0.57 135.00 135.07 2opv s PRO 66 Ca 0.28 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.29 2opv s PRO 66 Cb -0.17 -4.19 0.01 0.00 0.04 0.00 0.00 34.50 30.19 2opv s PRO 66 CO 0.14 -1.55 -0.19 -1.17 0.04 0.00 0.00 177.00 174.27 2opv s LEU 67 N 6.22 1.91 -0.22 -3.56 2.96 0.09 -1.75 118.68 124.34 2opv s LEU 67 Ca 0.85 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 2opv s LEU 67 Cb -0.31 -1.19 0.04 0.00 0.50 0.00 0.00 46.19 45.23 2opv s LEU 67 CO 0.34 0.10 -0.14 -0.13 -1.32 0.00 0.00 176.35 175.20 2opv s ARG 68 N 0.53 2.49 -0.47 1.98 0.52 -1.08 -0.27 118.95 122.65 2opv s ARG 68 Ca -0.16 -1.04 -0.16 0.00 -0.52 0.00 0.00 55.73 53.85 2opv s ARG 68 Cb -0.17 -2.66 0.06 0.00 0.52 0.00 0.00 34.95 32.69 2opv s ARG 68 CO 0.06 -0.40 0.44 0.42 0.02 0.00 0.00 175.30 175.84 2opv s ILE 69 N 1.24 5.13 -0.13 1.52 1.09 -0.55 -1.54 121.20 127.96 2opv s ILE 69 Ca -0.02 -0.80 -0.02 0.00 -1.10 0.00 0.00 60.65 58.71 2opv s ILE 69 Cb -0.16 -4.13 -0.03 0.00 -1.06 0.00 0.00 42.46 37.07 2opv s ILE 69 CO -0.09 -0.58 -0.05 -0.63 -0.10 0.00 0.00 174.94 173.49 2opv s ILE 70 N 1.94 3.77 0.00 2.92 1.01 0.60 -1.62 121.20 129.83 2opv s ILE 70 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.31 2opv s ILE 70 Cb -0.22 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.64 2opv s ILE 70 CO 0.09 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.17 2opv n GLY 71 N 3.15 -0.19 3.73 6.18 0.00 0.72 -0.41 105.19 118.38 2opv n GLY 71 Ca -0.18 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 7.44 0.45 1.61 2.15 -1.25 -0.89 116.67 122.18 2opv s ASP 72 Ca 0.00 1.72 0.26 0.00 0.43 0.00 0.00 52.55 54.96 2opv s ASP 72 Cb 0.00 -2.56 1.29 0.00 -0.30 0.00 0.00 42.92 41.35 2opv s ASP 72 CO 0.00 -0.05 1.77 -0.65 -0.17 0.00 0.00 175.17 176.07 2opv h PRO 73 N 5.61 0.22 0.00 4.34 0.11 -1.85 0.46 132.00 140.88 2opv h PRO 73 Ca -0.43 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2opv h PRO 73 Cb 1.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2opv h PRO 73 CO 0.72 0.14 -0.03 1.88 -0.21 0.00 0.00 178.00 180.50 2opv h TYR 74 N 0.22 0.00 0.00 0.65 0.05 -1.98 -2.98 116.97 112.94 2opv h TYR 74 Ca 0.61 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.36 2opv h TYR 74 Cb 1.88 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.62 2opv h TYR 74 CO -0.00 0.43 -0.15 1.57 -1.05 0.00 0.00 178.16 178.95 2opv h LYS 75 N -1.00 0.00 -0.49 4.88 2.10 -1.80 0.20 116.57 120.46 2opv h LYS 75 Ca -0.01 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 2opv h LYS 75 Cb 0.44 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.75 2opv h LYS 75 CO -0.00 0.15 0.10 0.28 -2.00 0.00 0.00 179.45 177.98 2opv h VAL 76 N 0.00 1.24 -0.15 0.07 2.07 -0.22 0.35 116.25 119.61 2opv h VAL 76 Ca -0.00 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 2opv h VAL 76 Cb 0.67 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2opv h VAL 76 CO 0.02 0.31 -0.08 -0.61 0.02 0.00 0.00 177.57 177.23 2opv h GLN 77 N 0.67 0.31 -0.87 1.57 -0.00 -1.14 -0.45 115.11 115.21 2opv h GLN 77 Ca 0.15 -0.14 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 2opv h GLN 77 Cb 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.79 2opv h GLN 77 CO 0.01 0.65 0.48 1.96 0.00 0.00 0.00 178.83 181.92 2opv h GLN 78 N -0.03 1.21 -0.23 1.69 1.08 -0.58 0.22 115.11 118.48 2opv h GLN 78 Ca 0.03 -0.14 -0.10 0.00 -1.45 0.00 0.00 58.65 56.99 2opv h GLN 78 Cb 0.56 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2opv h GLN 78 CO 0.02 0.89 -0.29 0.00 -0.95 0.00 0.00 178.83 178.50 2opv h ALA 79 N 1.26 1.08 -0.14 3.87 0.00 -0.25 0.27 119.26 125.35 2opv h ALA 79 Ca 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2opv h ALA 79 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2opv h ALA 79 CO -0.05 0.57 0.06 0.00 0.00 0.00 0.00 179.25 179.83 2opv h GLU 81 N 0.08 0.62 0.20 0.00 4.39 -0.31 0.11 114.58 119.67 2opv h GLU 81 Ca 0.05 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.72 2opv h GLU 81 Cb 0.16 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 2opv h GLU 81 CO -0.00 0.41 -0.46 1.98 -1.16 0.00 0.00 179.01 179.77 2opv h MET 82 N 0.64 -0.72 -0.10 2.33 4.05 -0.05 0.59 114.93 121.66 2opv h MET 82 Ca 0.25 0.05 -0.18 0.00 -0.28 0.00 0.00 59.70 59.53 2opv h MET 82 Cb 0.09 0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2opv h MET 82 CO -0.13 -0.48 -0.70 -0.39 0.23 0.00 0.00 176.91 175.44 2opv h VAL 83 N -0.75 1.36 0.00 -5.77 -1.51 -0.95 -3.15 116.25 105.48 2opv h VAL 83 Ca -0.00 -2.06 -0.18 0.00 -1.23 0.00 0.00 66.70 63.22 2opv h VAL 83 Cb 0.74 2.04 -0.03 0.00 -2.13 0.00 0.00 31.29 31.91 2opv h VAL 83 CO -0.21 0.62 -0.88 0.24 -1.23 0.00 0.00 177.57 176.11 2opv h MET 84 N 0.32 0.00 -0.56 5.19 2.07 -0.64 -3.13 114.93 118.18 2opv h MET 84 Ca -0.02 -0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.58 2opv h MET 84 Cb 1.27 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.97 2opv h MET 84 CO 0.12 0.88 0.27 0.22 1.07 0.00 0.00 176.91 179.47 2opv h ASP 85 N 0.00 0.73 0.06 1.22 3.58 0.21 0.21 116.42 122.43 2opv h ASP 85 Ca -0.01 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 2opv h ASP 85 Cb 1.55 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 42.42 2opv h ASP 85 CO 0.11 0.65 -0.05 0.40 -2.88 0.00 0.00 179.24 177.47 2opv h ILE 86 N 0.75 0.96 0.18 2.25 2.04 -1.55 -1.87 117.51 120.28 2opv h ILE 86 Ca 0.19 -0.19 -0.34 0.00 1.00 0.00 0.00 64.86 65.53 2opv h ILE 86 Cb 0.11 1.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2opv h ILE 86 CO -0.02 0.05 -1.66 -0.07 0.00 0.00 0.00 178.15 176.44 2opv h LEU 87 N 0.00 0.61 -0.08 1.44 4.07 -1.25 -3.34 115.31 116.75 2opv h LEU 87 Ca -0.00 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.03 2opv h LEU 87 Cb 0.10 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.64 2opv h LEU 87 CO 0.01 1.75 -0.18 -2.11 -1.08 0.00 0.00 178.44 176.83 2opv n ARG 88 N -3.66 0.24 0.00 1.13 1.85 0.65 -5.09 116.66 111.78 2opv n ARG 88 Ca -0.24 -0.08 0.10 0.00 -1.00 0.00 0.00 57.85 56.63 2opv n ARG 88 Cb 1.05 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 31.04 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71