#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 -0.57 0.30 1.61 6.02 -1.26 -3.14 117.38 120.33 2opv n GLN 6 Ca 0.00 -0.25 0.19 0.00 -0.01 0.00 0.00 57.00 56.93 2opv n GLN 6 Cb 0.00 -0.19 0.90 0.00 1.02 0.00 0.00 30.24 31.97 2opv n GLN 6 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2opv h PHE 7 N -1.30 0.00 -4.12 1.08 -5.15 -1.88 -3.43 116.94 102.13 2opv h PHE 7 Ca -0.06 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.71 2opv h PHE 7 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.33 2opv h PHE 7 CO 0.00 0.01 -0.18 1.58 -2.00 0.00 0.00 178.31 177.72 2opv n HIS 8 N -3.14 -1.64 0.00 6.09 -0.00 -1.26 -2.85 115.22 112.42 2opv n HIS 8 Ca -0.01 0.65 0.00 0.00 -0.00 0.00 0.00 57.72 58.36 2opv n HIS 8 Cb 0.21 -2.77 0.00 0.00 -0.00 0.00 0.00 29.99 27.43 2opv n HIS 8 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2opv n ASP 9 N -0.64 0.00 -0.40 0.26 2.03 -1.26 -4.52 116.55 112.01 2opv n ASP 9 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2opv n ASP 9 Cb 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 2opv n ASP 9 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2opv n ASN 10 N 2.40 0.26 -4.22 1.67 0.23 -1.26 -5.03 115.26 109.31 2opv n ASN 10 Ca 0.00 -0.36 -0.37 0.00 -0.53 0.00 0.00 54.58 53.32 2opv n ASN 10 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2opv n ALA 11 N -3.00 3.02 -2.30 -2.53 0.00 -1.26 -4.64 120.51 109.79 2opv n ALA 11 Ca 0.00 -3.37 -0.43 0.00 0.00 0.00 0.00 53.44 49.64 2opv n ALA 11 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 15.89 2opv n ALA 11 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2opv n ASN 12 N 10.30 4.62 0.00 0.00 4.05 -1.13 -3.66 115.26 129.43 2opv n ASN 12 Ca 0.48 -2.92 0.00 0.00 0.45 0.00 0.00 54.58 52.59 2opv n ASN 12 Cb 0.44 -1.67 0.00 0.00 1.23 0.00 0.00 39.78 39.78 2opv n ASN 12 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2opv n GLY 13 N 4.51 0.34 4.92 8.20 0.00 -1.26 -4.71 105.19 117.19 2opv n GLY 13 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.86 2.23 3.68 -0.02 0.00 -1.24 -4.86 105.19 103.12 2opv n GLY 14 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 4.33 0.00 1.61 0.74 -1.26 -4.58 119.66 120.50 2opv s GLN 15 Ca 0.00 1.71 0.00 0.00 0.05 0.00 0.00 55.36 57.12 2opv s GLN 15 Cb 0.00 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.53 2opv s GLN 15 CO 0.00 -0.49 0.00 0.09 -0.55 0.00 0.00 175.29 174.34 2opv n ASN 16 N 5.37 0.00 0.00 6.67 5.03 -1.25 -4.95 115.26 126.14 2opv n ASN 16 Ca 0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.57 2opv n ASN 16 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 2opv n ASN 16 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2opv n GLY 17 N 3.97 -0.68 3.72 7.41 0.00 0.16 -4.90 105.19 114.87 2opv n GLY 17 Ca 0.00 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2opv n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2opv s THR 18 N -1.97 2.40 -0.12 2.61 2.01 -0.11 -4.73 115.64 115.73 2opv s THR 18 Ca 0.00 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.27 2opv s THR 18 Cb 0.00 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.36 2opv s THR 18 CO 0.00 0.02 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.04 2opv s VAL 19 N 1.36 1.97 -0.32 3.82 1.01 -1.26 -0.37 120.40 126.62 2opv s VAL 19 Ca 0.73 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 2opv s VAL 19 Cb -0.46 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2opv s VAL 19 CO 0.32 0.54 0.12 -1.58 0.00 0.00 0.00 175.10 174.50 2opv s GLN 20 N 0.66 3.09 -0.25 2.72 2.00 0.44 -4.89 119.66 123.42 2opv s GLN 20 Ca -0.11 -0.88 -0.17 0.00 -2.00 0.00 0.00 55.36 52.20 2opv s GLN 20 Cb -0.16 -3.50 -0.03 0.00 0.80 0.00 0.00 33.01 30.12 2opv s GLN 20 CO 0.02 -0.49 0.47 -1.21 -0.50 0.00 0.00 175.29 173.58 2opv s GLU 21 N 1.53 4.09 0.06 1.67 2.02 -1.24 -0.38 118.70 126.45 2opv s GLU 21 Ca 0.03 0.26 0.07 0.00 0.02 0.00 0.00 54.97 55.35 2opv s GLU 21 Cb -0.18 -3.62 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 2opv s GLU 21 CO 0.04 -0.27 -0.16 0.42 0.02 0.00 0.00 175.26 175.31 2opv s ILE 22 N 2.03 2.93 -0.48 -1.63 -1.09 0.89 -4.92 121.20 118.93 2opv s ILE 22 Ca 0.20 -1.22 -0.09 0.00 -2.23 0.00 0.00 60.65 57.31 2opv s ILE 22 Cb -0.15 -2.27 0.12 0.00 -1.58 0.00 0.00 42.46 38.58 2opv s ILE 22 CO 0.09 0.28 0.35 -0.04 -1.23 0.00 0.00 174.94 174.39 2opv s MET 23 N -1.64 2.49 0.01 2.79 -1.94 -1.24 -0.32 119.30 119.45 2opv s MET 23 Ca 0.16 -1.78 -0.30 0.00 -1.71 0.00 0.00 55.69 52.06 2opv s MET 23 Cb -0.11 -3.93 -0.04 0.00 2.01 0.00 0.00 34.83 32.77 2opv s MET 23 CO 0.07 -1.20 1.04 0.42 -0.01 0.00 0.00 175.02 175.34 2opv s ILE 24 N 1.34 4.66 0.08 2.53 -1.09 0.14 -4.54 121.20 124.32 2opv s ILE 24 Ca 0.06 1.91 -0.37 0.00 -2.23 0.00 0.00 60.65 60.02 2opv s ILE 24 Cb -0.26 -4.22 -0.18 0.00 -1.58 0.00 0.00 42.46 36.22 2opv s ILE 24 CO -0.01 0.14 1.18 -2.65 -1.23 0.00 0.00 174.94 172.37 2opv n PRO 25 N 3.97 0.73 -2.01 2.79 -0.02 -1.26 0.36 135.00 139.55 2opv n PRO 25 Ca 0.07 0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 61.49 2opv n PRO 25 Cb 0.50 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 2opv n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2opv n ALA 26 N 1.87 2.31 0.00 3.55 0.00 -1.26 -1.46 120.51 125.51 2opv n ALA 26 Ca 0.18 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.44 2opv n ALA 26 Cb 0.17 -3.52 0.00 0.00 0.00 0.00 0.00 19.45 16.10 2opv n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2opv n GLY 27 N 5.54 0.53 0.13 0.00 0.00 -1.26 -4.88 105.19 105.25 2opv n GLY 27 Ca 0.46 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.70 2opv n GLY 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2opv n LYS 28 N 0.00 0.13 0.25 1.61 3.00 -1.14 -1.38 118.16 120.63 2opv n LYS 28 Ca 0.00 0.56 0.18 0.00 -0.00 0.00 0.00 58.31 59.05 2opv n LYS 28 Cb 0.00 -1.87 0.88 0.00 0.00 0.00 0.00 35.03 34.05 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 2.07 1.60 0.00 3.14 0.00 -1.56 0.81 119.26 125.33 2opv h ALA 29 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2opv h ALA 29 Cb 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2opv h ALA 29 CO 0.00 -0.29 -0.04 0.78 0.00 0.00 0.00 179.25 179.70 2opv h GLY 30 N 0.00 0.00 0.68 0.00 0.00 -1.52 -0.81 103.07 101.42 2opv h GLY 30 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.07 2opv h GLY 30 CO -0.00 0.00 -1.93 1.04 0.00 0.00 0.00 176.54 175.65 2opv n LEU 31 N -3.68 1.25 0.19 3.11 4.77 0.26 -1.02 117.00 121.87 2opv n LEU 31 Ca -0.03 0.27 0.04 0.00 -0.03 0.00 0.00 56.01 56.26 2opv n LEU 31 Cb 0.14 -0.12 0.38 0.00 -2.33 0.00 0.00 43.42 41.48 2opv n LEU 31 CO 0.27 0.54 0.73 1.62 -1.33 0.00 0.00 177.39 179.23 2opv h VAL 32 N 0.02 1.16 0.02 4.08 3.04 -1.23 -3.14 116.25 120.19 2opv h VAL 32 Ca -0.38 -1.28 -0.30 0.00 -1.01 0.00 0.00 66.70 63.73 2opv h VAL 32 Cb 2.05 1.71 -0.04 0.00 -2.01 0.00 0.00 31.29 33.00 2opv h VAL 32 CO 0.06 0.36 -1.65 -0.38 -1.01 0.00 0.00 177.57 174.95 2opv n ILE 33 N -3.96 1.57 0.00 3.17 5.41 -0.36 -3.95 119.36 121.24 2opv n ILE 33 Ca -0.02 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.52 2opv n ILE 33 Cb 0.41 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 2opv n ILE 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2opv n GLY 34 N 1.53 -0.16 1.99 7.39 0.00 -0.19 -1.32 105.19 114.43 2opv n GLY 34 Ca -0.36 -2.22 -0.21 0.00 0.00 0.00 0.00 46.02 43.22 2opv n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2opv n LYS 35 N 0.00 2.02 0.00 1.61 4.01 -1.26 -4.37 118.16 120.17 2opv n LYS 35 Ca 0.00 -2.01 0.00 0.00 -0.51 0.00 0.00 58.31 55.79 2opv n LYS 35 Cb 0.00 -1.79 0.00 0.00 -0.51 0.00 0.00 35.03 32.73 2opv n LYS 35 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2opv n GLY 36 N -0.02 0.89 0.00 0.72 0.00 -1.26 -4.84 105.19 100.67 2opv n GLY 36 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.55 0.09 -0.02 0.00 -1.22 -5.00 105.19 99.58 2opv n GLY 37 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.00 -0.01 1.61 -0.00 -1.89 -2.93 114.58 111.36 2opv h GLU 38 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 2opv h GLU 38 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 2opv h GLU 38 CO 0.00 0.79 -0.02 1.15 -0.00 0.00 0.00 179.01 180.94 2opv h THR 39 N 0.00 1.41 -0.40 -1.06 2.02 -1.90 -0.10 112.91 112.88 2opv h THR 39 Ca -0.02 -1.23 0.01 0.00 0.77 0.00 0.00 66.41 65.94 2opv h THR 39 Cb 1.64 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 2opv h THR 39 CO 0.10 0.32 0.26 -0.29 0.37 0.00 0.00 175.52 176.29 2opv h ILE 40 N -0.47 1.08 -0.26 3.11 2.10 -1.32 -1.12 117.51 120.62 2opv h ILE 40 Ca 0.00 -0.17 -0.03 0.00 1.08 0.00 0.00 64.86 65.74 2opv h ILE 40 Cb 0.54 0.53 -0.01 0.00 -1.09 0.00 0.00 36.82 36.79 2opv h ILE 40 CO 0.00 0.09 0.05 0.50 -1.08 0.00 0.00 178.15 177.72 2opv h LYS 41 N 0.50 0.43 -0.48 2.19 3.64 -1.37 -2.72 116.57 118.76 2opv h LYS 41 Ca 0.15 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2opv h LYS 41 Cb -0.00 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2opv h LYS 41 CO -0.03 0.54 0.27 1.96 -2.27 0.00 0.00 179.45 179.91 2opv h GLN 42 N 0.25 0.66 -0.56 1.90 4.20 0.06 -0.51 115.11 121.11 2opv h GLN 42 Ca 0.08 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2opv h GLN 42 Cb 0.31 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2opv h GLN 42 CO 0.00 0.48 0.28 -0.07 -0.67 0.00 0.00 178.83 178.85 2opv h LEU 43 N 0.67 0.72 -0.23 1.46 3.38 -1.12 -0.50 115.31 119.69 2opv h LEU 43 Ca 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2opv h LEU 43 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2opv h LEU 43 CO -0.03 0.64 0.11 1.56 0.09 0.00 0.00 178.44 180.81 2opv h GLN 44 N 0.75 0.34 -0.95 1.13 4.20 -0.91 -0.95 115.11 118.71 2opv h GLN 44 Ca 0.19 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.86 2opv h GLN 44 Cb 0.10 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 2opv h GLN 44 CO -0.03 0.36 0.63 0.93 -0.67 0.00 0.00 178.83 180.05 2opv h GLU 45 N 0.24 1.24 0.00 1.46 4.39 -0.84 -2.07 114.58 119.00 2opv h GLU 45 Ca 0.08 -0.07 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 2opv h GLU 45 Cb 0.13 -0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 2opv h GLU 45 CO -0.01 0.82 -1.56 0.07 -1.16 0.00 0.00 179.01 177.17 2opv h ARG 46 N 1.28 0.00 0.00 2.33 0.11 -0.96 -3.36 114.38 113.78 2opv h ARG 46 Ca 0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.43 2opv h ARG 46 Cb -0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.95 2opv h ARG 46 CO -0.08 0.40 -1.13 0.00 0.10 0.00 0.00 179.97 179.26 2opv n ALA 47 N -2.48 3.24 -1.24 0.08 0.00 -0.37 -4.96 120.51 114.77 2opv n ALA 47 Ca -0.13 -0.40 -0.06 0.00 0.00 0.00 0.00 53.44 52.85 2opv n ALA 47 Cb 0.95 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 2opv n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2opv n GLY 48 N 1.33 0.79 3.64 0.00 0.00 -0.78 -4.83 105.19 105.34 2opv n GLY 48 Ca 0.01 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.23 0.98 -0.18 1.61 -7.23 -1.22 -4.60 120.40 107.53 2opv s VAL 49 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2opv s VAL 49 Cb 0.00 -2.32 -0.00 0.00 0.56 0.00 0.00 36.38 34.61 2opv s VAL 49 CO 0.00 0.00 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.93 2opv s LYS 50 N -3.80 3.29 -0.29 4.82 2.20 -0.24 -4.48 119.74 121.24 2opv s LYS 50 Ca 0.16 -0.70 -0.07 0.00 -0.36 0.00 0.00 55.97 55.01 2opv s LYS 50 Cb 0.03 -2.76 0.01 0.00 -1.51 0.00 0.00 37.83 33.60 2opv s LYS 50 CO 0.09 -0.04 0.07 -1.64 -0.36 0.00 0.00 175.35 173.48 2opv s MET 51 N 0.99 3.13 -0.43 4.03 -1.94 -1.26 0.32 119.30 124.15 2opv s MET 51 Ca -0.01 -0.82 -0.11 0.00 -1.71 0.00 0.00 55.69 53.04 2opv s MET 51 Cb -0.15 -3.34 0.08 0.00 2.01 0.00 0.00 34.83 33.43 2opv s MET 51 CO -0.02 -0.41 0.29 -1.50 -0.01 0.00 0.00 175.02 173.37 2opv s ILE 52 N 1.50 4.46 -0.19 2.53 2.07 -0.24 -4.94 121.20 126.39 2opv s ILE 52 Ca 0.03 -1.30 -0.28 0.00 -1.41 0.00 0.00 60.65 57.68 2opv s ILE 52 Cb -0.17 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.72 2opv s ILE 52 CO 0.02 -0.51 1.00 -0.76 -1.91 0.00 0.00 174.94 172.78 2opv s LEU 53 N 1.48 4.15 -1.10 8.50 2.01 -1.26 -1.90 118.68 130.56 2opv s LEU 53 Ca 0.03 1.38 -0.22 0.00 0.01 0.00 0.00 54.13 55.33 2opv s LEU 53 Cb -0.23 -3.49 0.02 0.00 0.01 0.00 0.00 46.19 42.50 2opv s LEU 53 CO 0.03 -0.57 1.69 -0.63 1.01 0.00 0.00 176.35 177.88 2opv s ILE 54 N 2.76 3.84 -0.17 -0.59 -1.09 -0.06 -4.57 121.20 121.31 2opv s ILE 54 Ca 0.44 -1.03 -0.15 0.00 -2.23 0.00 0.00 60.65 57.68 2opv s ILE 54 Cb -0.16 -4.83 -0.06 0.00 -1.58 0.00 0.00 42.46 35.82 2opv s ILE 54 CO 0.10 -1.65 -0.31 0.00 -1.23 0.00 0.00 174.94 171.85 2opv n GLN 55 N 8.66 0.48 0.07 2.79 6.02 -1.26 -3.98 117.38 130.16 2opv n GLN 55 Ca 0.40 0.19 -0.01 0.00 -0.01 0.00 0.00 57.00 57.58 2opv n GLN 55 Cb 0.48 -1.33 0.27 0.00 1.02 0.00 0.00 30.24 30.68 2opv n GLN 55 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2opv h ASP 56 N -0.88 0.33 0.66 1.08 3.58 -2.03 -2.53 116.42 116.62 2opv h ASP 56 Ca -0.13 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.14 2opv h ASP 56 Cb 1.02 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 2opv h ASP 56 CO -0.08 0.59 -0.36 1.23 -2.88 0.00 0.00 179.24 177.74 2opv h GLY 57 N 1.01 0.00 0.00 -0.78 0.00 -1.89 -3.48 103.07 97.93 2opv h GLY 57 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2opv h GLY 57 CO 0.04 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.02 2opv n SER 58 N -3.69 0.00 0.00 0.19 7.64 -0.96 -4.86 113.62 111.94 2opv n SER 58 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2opv n SER 58 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2opv n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2opv n GLN 59 N 13.79 0.00 -2.12 1.43 6.02 -1.26 -4.31 117.38 130.92 2opv n GLN 59 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 2opv n GLN 59 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 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 3.46 7.49 -0.22 1.08 4.13 -1.26 -4.80 115.26 125.14 2opv n ASN 60 Ca 0.00 -3.80 -0.01 0.00 1.68 0.00 0.00 54.58 52.46 2opv n ASN 60 Cb 0.00 -1.10 0.11 0.00 -1.54 0.00 0.00 39.78 37.25 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 2.06 0.89 0.00 3.41 1.35 -1.90 -3.09 112.91 115.64 2opv h THR 61 Ca 0.56 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 2opv h THR 61 Cb 0.11 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 66.78 2opv h THR 61 CO 1.37 0.11 -1.58 -3.20 -0.25 0.00 0.00 175.52 171.96 2opv n ASN 62 N -4.86 1.10 0.00 5.36 5.15 -1.26 -5.02 115.26 115.72 2opv n ASN 62 Ca 0.09 -0.16 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 2opv n ASN 62 Cb 0.22 1.62 0.00 0.00 -0.53 0.00 0.00 39.78 41.09 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 -1.95 0.00 -1.67 3.44 0.24 -1.17 -4.84 118.33 112.38 2opv n VAL 63 Ca -0.02 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.87 2opv n VAL 63 Cb 0.40 -0.54 0.01 0.00 -1.47 0.00 0.00 33.84 32.24 2opv n VAL 63 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2opv n ASP 64 N 0.00 2.13 -4.76 -1.34 5.75 -1.26 -4.39 116.55 112.68 2opv n ASP 64 Ca 0.00 1.10 -0.37 0.00 -0.01 0.00 0.00 54.79 55.51 2opv n ASP 64 Cb 0.00 -1.44 -0.07 0.00 -1.03 0.00 0.00 41.12 38.58 2opv n ASP 64 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2opv s LYS 65 N -2.07 4.14 -0.15 0.11 -0.14 0.16 -4.66 119.74 117.12 2opv s LYS 65 Ca 0.61 0.17 -0.29 0.00 -1.36 0.00 0.00 55.97 55.10 2opv s LYS 65 Cb -0.54 -3.37 -0.03 0.00 -1.68 0.00 0.00 37.83 32.21 2opv s LYS 65 CO 0.58 0.35 1.48 -2.14 -0.76 0.00 0.00 175.35 174.86 2opv s PRO 66 N 0.10 4.10 -0.12 -1.68 0.02 -1.26 0.28 135.00 136.43 2opv s PRO 66 Ca 0.19 1.82 0.02 0.00 0.02 0.00 0.00 61.00 63.04 2opv s PRO 66 Cb -0.14 -3.91 0.01 0.00 0.02 0.00 0.00 34.50 30.49 2opv s PRO 66 CO 0.06 -0.91 -0.17 -1.17 -0.33 0.00 0.00 177.00 174.48 2opv s LEU 67 N 4.12 1.84 -0.31 -5.54 2.96 0.57 -0.88 118.68 121.44 2opv s LEU 67 Ca 0.65 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 54.03 2opv s LEU 67 Cb -0.26 -1.21 0.04 0.00 0.50 0.00 0.00 46.19 45.26 2opv s LEU 67 CO 0.24 0.03 0.04 -0.13 -1.32 0.00 0.00 176.35 175.20 2opv s ARG 68 N 0.99 2.56 -0.56 1.98 0.52 -0.80 -0.07 118.95 123.57 2opv s ARG 68 Ca -0.05 -1.19 -0.23 0.00 -0.52 0.00 0.00 55.73 53.74 2opv s ARG 68 Cb -0.15 -3.27 0.05 0.00 0.52 0.00 0.00 34.95 32.10 2opv s ARG 68 CO -0.03 -0.61 0.88 0.42 0.02 0.00 0.00 175.30 175.98 2opv s ILE 69 N 1.32 4.49 -0.22 1.52 1.09 0.49 -1.08 121.20 128.82 2opv s ILE 69 Ca -0.03 -0.00 -0.07 0.00 -1.10 0.00 0.00 60.65 59.44 2opv s ILE 69 Cb -0.19 -4.51 -0.04 0.00 -1.06 0.00 0.00 42.46 36.66 2opv s ILE 69 CO 0.00 -1.11 0.07 -0.63 -0.10 0.00 0.00 174.94 173.18 2opv s ILE 70 N 3.67 4.59 0.00 2.92 1.01 0.15 -0.42 121.20 133.13 2opv s ILE 70 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2opv s ILE 70 Cb -0.15 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2opv s ILE 70 CO 0.16 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2opv n GLY 71 N 4.26 -0.54 3.70 6.18 0.00 0.50 -1.08 105.19 118.20 2opv n GLY 71 Ca -0.16 0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 5.17 0.36 1.61 2.15 -1.26 -0.66 116.67 120.04 2opv s ASP 72 Ca 0.00 -0.02 0.18 0.00 0.43 0.00 0.00 52.55 53.15 2opv s ASP 72 Cb 0.00 -1.35 1.26 0.00 -0.30 0.00 0.00 42.92 42.53 2opv s ASP 72 CO 0.00 0.26 1.60 -0.65 -0.17 0.00 0.00 175.17 176.21 2opv h PRO 73 N 4.15 0.06 0.31 4.34 0.11 -1.88 0.56 132.00 139.66 2opv h PRO 73 Ca -0.49 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2opv h PRO 73 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2opv h PRO 73 CO 0.58 0.04 -0.15 -0.92 -0.21 0.00 0.00 178.00 177.35 2opv h TYR 74 N 0.07 -0.39 0.00 0.65 3.20 -1.99 -1.61 116.97 116.90 2opv h TYR 74 Ca 0.81 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.58 2opv h TYR 74 Cb 2.07 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 40.45 2opv h TYR 74 CO -0.04 -0.07 -0.42 1.57 -1.64 0.00 0.00 178.16 177.56 2opv h LYS 75 N -0.96 0.00 -0.36 1.82 2.10 -1.67 -0.08 116.57 117.41 2opv h LYS 75 Ca -0.04 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.51 2opv h LYS 75 Cb 0.50 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.82 2opv h LYS 75 CO 0.07 0.42 -0.16 0.28 -2.00 0.00 0.00 179.45 178.06 2opv h VAL 76 N 0.00 1.26 -0.04 0.07 2.07 0.06 0.31 116.25 119.98 2opv h VAL 76 Ca -0.00 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 2opv h VAL 76 Cb 0.88 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2opv h VAL 76 CO 0.05 0.40 -0.14 -0.61 0.02 0.00 0.00 177.57 177.29 2opv h GLN 77 N 0.59 0.17 -0.82 1.57 5.75 -0.83 -0.56 115.11 120.97 2opv h GLN 77 Ca 0.10 -0.13 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 2opv h GLN 77 Cb 0.61 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.13 2opv h GLN 77 CO 0.04 0.76 0.54 1.96 -2.65 0.00 0.00 178.83 179.48 2opv h GLN 78 N -0.39 0.91 -0.17 1.69 4.20 -0.87 0.32 115.11 120.79 2opv h GLN 78 Ca -0.01 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.47 2opv h GLN 78 Cb 0.77 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2opv h GLN 78 CO 0.03 0.60 -0.62 0.00 -0.67 0.00 0.00 178.83 178.17 2opv h ALA 79 N 1.55 0.59 -0.08 3.87 0.00 -0.35 -2.20 119.26 122.63 2opv h ALA 79 Ca 0.35 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2opv h ALA 79 Cb 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2opv h ALA 79 CO -0.12 0.70 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 2opv h GLU 81 N -0.20 0.00 0.00 0.00 4.11 -1.02 0.18 114.58 117.65 2opv h GLU 81 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 2opv h GLU 81 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2opv h GLU 81 CO 0.01 0.00 -0.00 1.98 0.07 0.00 0.00 179.01 181.07 2opv h MET 82 N 0.00 -0.00 -0.22 1.06 4.05 -1.03 -2.79 114.93 115.99 2opv h MET 82 Ca 0.00 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.30 2opv h MET 82 Cb 0.29 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 2opv h MET 82 CO 0.00 0.95 -0.38 -0.39 0.23 0.00 0.00 176.91 177.32 2opv h VAL 83 N -0.96 1.30 -0.69 -5.77 -1.51 -0.52 -1.81 116.25 106.29 2opv h VAL 83 Ca -0.00 -1.52 -0.01 0.00 -1.23 0.00 0.00 66.70 63.94 2opv h VAL 83 Cb 0.95 1.54 -0.03 0.00 -2.13 0.00 0.00 31.29 31.62 2opv h VAL 83 CO 0.00 0.48 0.40 0.24 -1.23 0.00 0.00 177.57 177.45 2opv h MET 84 N 0.42 0.94 -0.42 5.19 2.07 -0.79 -2.17 114.93 120.16 2opv h MET 84 Ca 0.04 -0.09 -0.05 0.00 -2.07 0.00 0.00 59.70 57.53 2opv h MET 84 Cb 0.85 -0.19 -0.02 0.00 -1.87 0.00 0.00 31.60 30.37 2opv h MET 84 CO 0.07 0.67 0.07 0.22 1.07 0.00 0.00 176.91 179.01 2opv h ASP 85 N 0.95 0.67 -0.73 1.22 3.58 -1.12 -1.73 116.42 119.27 2opv h ASP 85 Ca 0.25 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 2opv h ASP 85 Cb -0.01 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 40.82 2opv h ASP 85 CO -0.04 0.76 0.45 0.40 -2.88 0.00 0.00 179.24 177.93 2opv h ILE 86 N 0.56 1.20 0.00 2.25 2.04 -0.91 0.15 117.51 122.80 2opv h ILE 86 Ca 0.13 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2opv h ILE 86 Cb 0.38 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2opv h ILE 86 CO 0.01 0.21 -0.18 0.18 0.00 0.00 0.00 178.15 178.36 2opv n LEU 87 N -4.40 0.52 -0.01 1.44 4.77 -0.86 -3.50 117.00 114.97 2opv n LEU 87 Ca 0.08 0.42 0.09 0.00 -0.03 0.00 0.00 56.01 56.56 2opv n LEU 87 Cb 0.06 -0.34 -0.13 0.00 -2.33 0.00 0.00 43.42 40.68 2opv n LEU 87 CO 0.37 -0.07 -0.60 -1.14 -1.33 0.00 0.00 177.39 174.62 2opv n ARG 88 N -1.92 0.65 0.00 3.23 0.63 -0.63 -5.05 116.66 113.57 2opv n ARG 88 Ca 0.06 -0.14 0.05 0.00 -0.92 0.00 0.00 57.85 56.90 2opv n ARG 88 Cb 0.39 -1.42 0.04 0.00 0.45 0.00 0.00 32.46 31.93 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21