#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1poh s PHE 2 N 0.00 0.09 0.09 1.12 5.36 -0.33 -4.98 117.98 119.33 1poh s PHE 2 Ca 0.00 -0.17 -0.17 0.00 -0.96 0.00 0.00 56.93 55.62 1poh s PHE 2 Cb 0.00 -0.06 0.04 0.00 -0.34 0.00 0.00 43.02 42.65 1poh s PHE 2 CO 0.00 -0.06 0.42 1.14 -1.46 0.00 0.00 175.22 175.26 1poh s GLN 3 N -0.49 1.01 -0.06 10.12 -2.07 -1.26 0.20 119.66 127.12 1poh s GLN 3 Ca -0.05 -0.53 -0.17 0.00 -1.82 0.00 0.00 55.36 52.78 1poh s GLN 3 Cb -0.03 0.45 0.04 0.00 -1.09 0.00 0.00 33.01 32.37 1poh s GLN 3 CO -0.00 -0.38 0.40 -0.65 -1.32 0.00 0.00 175.29 173.34 1poh s GLN 4 N -3.19 0.69 0.17 9.60 -1.52 -0.11 -4.98 119.66 120.32 1poh s GLN 4 Ca -0.01 0.09 -0.04 0.00 -1.95 0.00 0.00 55.36 53.45 1poh s GLN 4 Cb 0.01 0.32 -0.05 0.00 -0.22 0.00 0.00 33.01 33.06 1poh s GLN 4 CO -0.08 -0.18 0.39 -1.21 -0.25 0.00 0.00 175.29 173.97 1poh s GLU 5 N -0.90 3.60 -0.04 2.91 2.02 -1.26 -1.40 118.70 123.62 1poh s GLU 5 Ca -0.10 -0.14 -0.12 0.00 0.02 0.00 0.00 54.97 54.63 1poh s GLU 5 Cb -0.04 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.38 1poh s GLU 5 CO 0.04 0.43 0.27 0.54 0.02 0.00 0.00 175.26 176.56 1poh s VAL 6 N -1.75 0.04 -0.11 2.63 0.11 -0.21 -4.98 120.40 116.15 1poh s VAL 6 Ca 0.41 -0.35 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 1poh s VAL 6 Cb -0.12 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 1poh s VAL 6 CO 0.26 -0.19 0.25 -0.89 -3.33 0.00 0.00 175.10 171.20 1poh s THR 7 N -0.81 5.32 -0.36 5.04 2.01 -1.26 -0.14 115.64 125.44 1poh s THR 7 Ca -0.09 0.46 -0.23 0.00 0.31 0.00 0.00 61.69 62.15 1poh s THR 7 Cb -0.05 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.92 1poh s THR 7 CO 0.02 0.53 0.76 -0.63 -0.69 0.00 0.00 174.62 174.62 1poh s ILE 8 N -0.50 4.76 -1.42 1.82 1.01 -0.37 -4.69 121.20 121.81 1poh s ILE 8 Ca 0.17 0.87 0.16 0.00 0.00 0.00 0.00 60.65 61.85 1poh s ILE 8 Cb -0.13 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1poh s ILE 8 CO 0.06 -0.40 0.84 0.35 0.00 0.00 0.00 174.94 175.78 1poh n THR 9 N 5.74 0.00 -2.29 2.92 -2.24 -1.26 0.19 114.28 117.33 1poh n THR 9 Ca 0.02 -0.33 -0.40 0.00 -2.27 0.00 0.00 64.05 61.07 1poh n THR 9 Cb 0.48 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 1poh n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1poh s ALA 10 N -1.88 3.43 0.26 6.98 0.00 -1.26 -4.85 121.76 124.45 1poh s ALA 10 Ca 0.13 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.12 1poh s ALA 10 Cb 0.13 -3.40 0.54 0.00 0.00 0.00 0.00 23.12 20.38 1poh s ALA 10 CO 0.40 -0.41 1.63 -1.35 0.00 0.00 0.00 175.76 176.03 1poh h PRO 11 N 3.53 0.12 -0.76 0.00 0.11 -1.92 0.18 132.00 133.26 1poh h PRO 11 Ca -0.48 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.29 1poh h PRO 11 Cb 1.22 -0.03 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 1poh h PRO 11 CO 0.66 0.08 0.37 0.09 -0.21 0.00 0.00 178.00 178.99 1poh n ASN 12 N -5.33 3.84 0.00 -2.05 5.03 -1.26 -4.46 115.26 111.03 1poh n ASN 12 Ca 0.16 -3.50 0.00 0.00 0.87 0.00 0.00 54.58 52.11 1poh n ASN 12 Cb 0.55 -0.76 0.00 0.00 -1.02 0.00 0.00 39.78 38.55 1poh n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1poh n GLY 13 N -0.82 0.98 2.94 7.41 0.00 0.63 -3.49 105.19 112.84 1poh n GLY 13 Ca 0.47 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1poh n GLY 13 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1poh n LEU 14 N 0.00 6.42 0.00 0.99 7.94 0.56 -4.78 117.00 128.13 1poh n LEU 14 Ca 0.00 -4.23 -0.30 0.00 -1.11 0.00 0.00 56.01 50.37 1poh n LEU 14 Cb 0.00 -1.63 0.26 0.00 0.53 0.00 0.00 43.42 42.58 1poh n LEU 14 CO 0.00 0.99 0.59 0.00 -1.11 0.00 0.00 177.39 177.86 1poh n HIS 15 N 5.97 -3.90 -0.15 1.96 1.44 -1.23 -4.49 115.22 114.82 1poh n HIS 15 Ca 0.48 -0.98 -0.07 0.00 -2.01 0.00 0.00 57.72 55.13 1poh n HIS 15 Cb 0.40 -1.17 -0.06 0.00 0.12 0.00 0.00 29.99 29.28 1poh n HIS 15 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 1poh h THR 16 N -2.85 0.00 -0.31 0.61 2.02 -1.93 -0.48 112.91 109.98 1poh h THR 16 Ca -0.41 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1poh h THR 16 Cb 1.28 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1poh h THR 16 CO 0.27 0.00 0.17 -0.09 0.37 0.00 0.00 175.52 176.24 1poh h ARG 17 N -0.13 0.42 -0.14 6.66 2.43 -2.00 -2.39 114.38 119.23 1poh h ARG 17 Ca 0.06 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1poh h ARG 17 Cb 0.29 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1poh h ARG 17 CO -0.43 0.35 -0.19 -1.00 -1.51 0.00 0.00 179.97 177.19 1poh h PRO 18 N 0.38 0.23 -0.45 0.20 0.13 -1.89 -1.73 132.00 128.88 1poh h PRO 18 Ca 0.11 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.08 1poh h PRO 18 Cb 0.04 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.13 1poh h PRO 18 CO -0.02 0.42 -0.12 0.00 -0.23 0.00 0.00 178.00 178.05 1poh h ALA 19 N 1.60 0.95 -0.30 -0.56 0.00 -0.78 0.22 119.26 120.39 1poh h ALA 19 Ca 0.04 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1poh h ALA 19 Cb 0.46 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1poh h ALA 19 CO 0.03 0.62 -0.49 0.00 0.00 0.00 0.00 179.25 179.40 1poh h ALA 20 N 1.13 0.55 -0.59 0.00 0.00 -1.06 -1.78 119.26 117.51 1poh h ALA 20 Ca 0.12 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1poh h ALA 20 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1poh h ALA 20 CO 0.04 0.68 -0.03 1.96 0.00 0.00 0.00 179.25 181.91 1poh h GLN 21 N 0.66 1.04 -0.30 0.00 4.20 -1.04 -1.35 115.11 118.32 1poh h GLN 21 Ca 0.03 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.41 1poh h GLN 21 Cb 1.08 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1poh h GLN 21 CO 0.11 1.03 0.18 0.35 -0.67 0.00 0.00 178.83 179.83 1poh h PHE 22 N 0.95 0.34 -0.68 2.96 3.57 -0.81 -2.00 116.94 121.27 1poh h PHE 22 Ca 0.16 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1poh h PHE 22 Cb 0.58 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1poh h PHE 22 CO 0.04 0.20 0.44 0.28 -2.23 0.00 0.00 178.31 177.04 1poh h VAL 23 N 0.37 1.18 -0.64 1.41 2.07 -1.26 0.25 116.25 119.64 1poh h VAL 23 Ca 0.12 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 1poh h VAL 23 Cb -0.01 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 1poh h VAL 23 CO -0.05 0.18 0.11 0.50 0.02 0.00 0.00 177.57 178.32 1poh h LYS 24 N 0.92 1.03 -0.34 1.57 3.64 -1.06 -1.43 116.57 120.90 1poh h LYS 24 Ca 0.25 -0.26 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1poh h LYS 24 Cb -0.09 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1poh h LYS 24 CO -0.05 0.95 -0.42 1.49 -2.27 0.00 0.00 179.45 179.14 1poh h GLU 25 N 0.97 0.86 -0.67 1.90 4.81 -1.08 -3.03 114.58 118.34 1poh h GLU 25 Ca 0.20 -0.47 0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1poh h GLU 25 Cb 0.41 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1poh h GLU 25 CO 0.01 1.11 0.41 0.00 -0.73 0.00 0.00 179.01 179.81 1poh h ALA 26 N 0.82 0.88 0.00 2.92 0.00 -0.61 -2.09 119.26 121.19 1poh h ALA 26 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1poh h ALA 26 Cb 1.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1poh h ALA 26 CO 0.10 0.17 0.00 1.63 0.00 0.00 0.00 179.25 181.15 1poh n LYS 27 N -4.70 0.15 0.01 0.00 5.02 -0.57 -1.60 118.16 116.48 1poh n LYS 27 Ca 0.07 0.58 0.14 0.00 -2.02 0.00 0.00 58.31 57.08 1poh n LYS 27 Cb 0.09 -1.92 0.58 0.00 -0.02 0.00 0.00 35.03 33.76 1poh n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1poh n GLY 28 N -1.01 -1.50 3.80 0.72 0.00 -0.78 -4.77 105.19 101.65 1poh n GLY 28 Ca -0.01 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1poh n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1poh s PHE 29 N -3.01 3.32 0.16 1.61 0.08 -0.63 -5.04 117.98 114.48 1poh s PHE 29 Ca 0.13 0.23 0.10 0.00 0.12 0.00 0.00 56.93 57.51 1poh s PHE 29 Cb 0.18 -1.75 0.08 0.00 -0.57 0.00 0.00 43.02 40.96 1poh s PHE 29 CO 0.52 0.57 1.45 1.79 -0.10 0.00 0.00 175.22 179.45 1poh h THR 30 N 3.18 1.50 -3.88 0.64 1.35 -1.86 -3.46 112.91 110.38 1poh h THR 30 Ca -0.49 -2.72 -0.53 0.00 -0.55 0.00 0.00 66.41 62.11 1poh h THR 30 Cb 1.18 2.49 0.20 0.00 -1.73 0.00 0.00 68.15 70.30 1poh h THR 30 CO 0.63 0.76 -0.08 -1.20 -0.25 0.00 0.00 175.52 175.38 1poh n SER 31 N -3.53 -0.49 -4.70 5.36 7.64 -1.26 -4.93 113.62 111.71 1poh n SER 31 Ca -0.00 0.43 -0.42 0.00 1.01 0.00 0.00 58.87 59.89 1poh n SER 31 Cb 0.77 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.57 1poh n SER 31 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1poh s GLU 32 N -4.06 4.51 -0.04 1.43 4.04 -0.91 -4.88 118.70 118.80 1poh s GLU 32 Ca 0.64 1.35 0.04 0.00 0.04 0.00 0.00 54.97 57.04 1poh s GLU 32 Cb -0.24 -3.48 -0.00 0.00 0.02 0.00 0.00 34.13 30.43 1poh s GLU 32 CO 0.60 -0.10 -0.15 0.42 -1.84 0.00 0.00 175.26 174.19 1poh s ILE 33 N 1.22 1.26 0.04 1.83 1.01 -1.26 -0.79 121.20 124.51 1poh s ILE 33 Ca 0.49 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.60 1poh s ILE 33 Cb -0.20 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 1poh s ILE 33 CO 0.25 0.37 -0.21 -0.89 0.00 0.00 0.00 174.94 174.46 1poh s THR 34 N 0.11 1.65 -0.18 2.92 2.01 0.16 -1.15 115.64 121.16 1poh s THR 34 Ca -0.04 -1.17 -0.05 0.00 0.31 0.00 0.00 61.69 60.74 1poh s THR 34 Cb -0.11 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1poh s THR 34 CO 0.02 0.22 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.47 1poh s VAL 35 N -0.77 4.00 -0.15 3.82 1.01 0.86 -1.29 120.40 127.87 1poh s VAL 35 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1poh s VAL 35 Cb -0.09 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.54 1poh s VAL 35 CO 0.02 0.46 -0.12 -0.89 0.00 0.00 0.00 175.10 174.57 1poh s THR 36 N 0.64 1.43 -0.11 3.92 2.01 -0.12 -0.72 115.64 122.69 1poh s THR 36 Ca -0.01 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1poh s THR 36 Cb -0.14 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.00 1poh s THR 36 CO 0.02 0.40 -0.13 -0.55 -0.69 0.00 0.00 174.62 173.67 1poh s SER 37 N 1.54 2.29 -1.57 3.53 0.15 0.18 0.18 113.70 119.99 1poh s SER 37 Ca 0.04 -0.38 -0.15 0.00 0.70 0.00 0.00 55.95 56.16 1poh s SER 37 Cb -0.13 -0.99 0.11 0.00 -1.71 0.00 0.00 66.02 63.30 1poh s SER 37 CO -0.10 -0.03 0.89 -3.20 1.20 0.00 0.00 173.24 172.01 1poh n ASN 38 N 4.41 -4.35 0.00 5.45 4.05 -1.26 -1.07 115.26 122.49 1poh n ASN 38 Ca -0.18 -0.81 0.00 0.00 0.45 0.00 0.00 54.58 54.04 1poh n ASN 38 Cb 0.51 -3.50 0.00 0.00 1.23 0.00 0.00 39.78 38.02 1poh n ASN 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1poh n GLY 39 N -1.56 0.48 3.23 8.20 0.00 -1.26 -5.02 105.19 109.25 1poh n GLY 39 Ca 0.05 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1poh n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1poh s LYS 40 N -0.56 1.93 0.19 1.61 1.02 -0.23 -5.13 119.74 118.57 1poh s LYS 40 Ca 0.00 -0.78 0.10 0.00 0.02 0.00 0.00 55.97 55.31 1poh s LYS 40 Cb 0.00 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 1poh s LYS 40 CO 0.00 0.42 -0.20 -1.12 -0.92 0.00 0.00 175.35 173.53 1poh s SER 41 N -0.35 3.04 0.02 2.83 0.01 -1.26 0.49 113.70 118.49 1poh s SER 41 Ca 0.04 -0.90 -0.14 0.00 1.31 0.00 0.00 55.95 56.26 1poh s SER 41 Cb -0.10 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.94 1poh s SER 41 CO 0.01 0.01 0.30 0.00 0.41 0.00 0.00 173.24 173.97 1poh s ALA 42 N -2.07 -0.70 0.18 1.44 0.00 0.10 -4.98 121.76 115.73 1poh s ALA 42 Ca 0.20 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.95 1poh s ALA 42 Cb -0.06 0.24 -0.08 0.00 0.00 0.00 0.00 23.12 23.22 1poh s ALA 42 CO 0.09 -0.36 1.28 0.45 0.00 0.00 0.00 175.76 177.22 1poh s SER 43 N -1.83 6.94 0.00 0.00 0.15 -1.26 -0.10 113.70 117.60 1poh s SER 43 Ca -0.08 2.33 0.19 0.00 0.70 0.00 0.00 55.95 59.10 1poh s SER 43 Cb -0.02 -2.61 0.91 0.00 -1.71 0.00 0.00 66.02 62.59 1poh s SER 43 CO -0.01 -0.50 1.61 0.00 1.20 0.00 0.00 173.24 175.54 1poh n ALA 44 N 2.81 1.96 -0.11 5.45 0.00 -0.30 -2.63 120.51 127.68 1poh n ALA 44 Ca 0.06 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1poh n ALA 44 Cb 0.43 -1.31 0.29 0.00 0.00 0.00 0.00 19.45 18.86 1poh n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1poh n LYS 45 N -1.38 2.83 -3.70 0.00 5.02 -1.26 -4.41 118.16 115.26 1poh n LYS 45 Ca 0.07 -2.33 -0.28 0.00 -2.02 0.00 0.00 58.31 53.75 1poh n LYS 45 Cb 0.18 -1.62 -0.16 0.00 -0.02 0.00 0.00 35.03 33.41 1poh n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1poh s SER 46 N -0.93 3.16 0.31 4.39 0.15 -1.08 -4.95 113.70 114.76 1poh s SER 46 Ca 0.43 -1.02 0.01 0.00 0.70 0.00 0.00 55.95 56.07 1poh s SER 46 Cb 0.25 -0.59 0.56 0.00 -1.71 0.00 0.00 66.02 64.52 1poh s SER 46 CO 0.25 -0.35 1.92 0.25 1.20 0.00 0.00 173.24 176.51 1poh h LEU 47 N 8.25 0.87 0.09 3.45 7.12 -1.85 -2.15 115.31 131.09 1poh h LEU 47 Ca -0.16 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 57.85 1poh h LEU 47 Cb 1.09 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.04 1poh h LEU 47 CO 0.37 0.56 -0.05 -0.26 -0.13 0.00 0.00 178.44 178.94 1poh h PHE 48 N 0.99 -0.12 -0.10 1.25 0.04 -1.95 -2.33 116.94 114.72 1poh h PHE 48 Ca 0.38 -0.00 -0.11 0.00 2.80 0.00 0.00 57.97 61.04 1poh h PHE 48 Cb 0.21 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1poh h PHE 48 CO -0.00 -0.06 -0.43 0.87 -0.60 0.00 0.00 178.31 178.10 1poh h LYS 49 N -0.14 0.23 -0.36 1.51 1.57 -1.86 -2.80 116.57 114.71 1poh h LYS 49 Ca -0.01 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1poh h LYS 49 Cb 0.11 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1poh h LYS 49 CO 0.02 0.62 0.13 -0.07 -0.57 0.00 0.00 179.45 179.58 1poh h LEU 50 N 0.19 0.46 -0.12 2.94 3.38 -1.27 -0.96 115.31 119.94 1poh h LEU 50 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1poh h LEU 50 Cb 0.83 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1poh h LEU 50 CO 0.07 0.44 0.00 1.67 0.09 0.00 0.00 178.44 180.70 1poh n GLN 51 N -4.38 0.02 0.00 1.13 7.27 -0.89 -1.84 117.38 118.69 1poh n GLN 51 Ca 0.02 0.34 0.13 0.00 0.07 0.00 0.00 57.00 57.55 1poh n GLN 51 Cb 0.15 -1.55 0.33 0.00 2.41 0.00 0.00 30.24 31.58 1poh n GLN 51 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1poh n THR 52 N -1.60 0.00 -3.20 1.69 -2.24 -0.36 -4.90 114.28 103.67 1poh n THR 52 Ca 0.02 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 1poh n THR 52 Cb 0.13 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 1poh n THR 52 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1poh s LEU 53 N -2.84 3.95 -0.56 3.22 1.02 -0.77 -5.04 118.68 117.66 1poh s LEU 53 Ca 0.16 0.68 -0.23 0.00 0.02 0.00 0.00 54.13 54.75 1poh s LEU 53 Cb 0.18 -3.54 0.05 0.00 0.02 0.00 0.00 46.19 42.90 1poh s LEU 53 CO 0.63 -0.31 0.90 -0.83 0.02 0.00 0.00 176.35 176.76 1poh s GLY 54 N -3.65 1.46 -0.40 -3.19 0.00 -1.26 -4.87 107.32 95.41 1poh s GLY 54 Ca 0.43 -1.37 0.05 0.00 0.00 0.00 0.00 44.72 43.84 1poh s GLY 54 CO 0.35 1.97 1.14 1.04 0.00 0.00 0.00 173.10 177.60 1poh n LEU 55 N 7.31 4.81 -4.92 0.66 4.77 -1.26 -4.94 117.00 123.42 1poh n LEU 55 Ca -0.00 -5.08 -0.28 0.00 -0.03 0.00 0.00 56.01 50.61 1poh n LEU 55 Cb 0.47 -0.43 0.12 0.00 -2.33 0.00 0.00 43.42 41.24 1poh n LEU 55 CO 0.62 2.20 0.76 0.42 -1.33 0.00 0.00 177.39 180.06 1poh s THR 56 N -5.28 2.07 0.37 -5.08 -4.23 -1.26 -0.32 115.64 101.91 1poh s THR 56 Ca 0.49 -0.10 -0.28 0.00 -1.18 0.00 0.00 61.69 60.62 1poh s THR 56 Cb 0.40 -2.97 -0.11 0.00 1.34 0.00 0.00 72.50 71.16 1poh s THR 56 CO -0.13 0.00 1.46 1.67 -0.54 0.00 0.00 174.62 177.08 1poh n GLN 57 N -3.35 2.60 -0.28 3.99 7.27 -1.26 -1.90 117.38 124.45 1poh n GLN 57 Ca 0.11 0.91 0.00 0.00 0.07 0.00 0.00 57.00 58.09 1poh n GLN 57 Cb 0.60 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.63 1poh n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1poh n GLY 58 N 0.49 0.94 3.75 1.69 0.00 0.50 -4.95 105.19 107.60 1poh n GLY 58 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1poh n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1poh s THR 59 N -2.72 4.57 -0.23 2.61 2.01 -0.80 -4.82 115.64 116.26 1poh s THR 59 Ca 0.00 1.79 -0.15 0.00 0.31 0.00 0.00 61.69 63.64 1poh s THR 59 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1poh s THR 59 CO 0.00 0.39 0.36 -0.69 -0.69 0.00 0.00 174.62 173.98 1poh s VAL 60 N -0.30 5.21 0.31 3.82 1.01 -1.26 -1.24 120.40 127.96 1poh s VAL 60 Ca 0.40 0.58 0.09 0.00 0.00 0.00 0.00 61.98 63.06 1poh s VAL 60 Cb -0.22 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1poh s VAL 60 CO 0.26 0.23 0.05 0.68 0.00 0.00 0.00 175.10 176.32 1poh s VAL 61 N 1.54 3.05 -0.13 2.92 -7.23 0.80 -4.56 120.40 116.79 1poh s VAL 61 Ca 0.16 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1poh s VAL 61 Cb -0.15 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.90 1poh s VAL 61 CO 0.08 -0.26 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.65 1poh s THR 62 N -2.42 3.58 -0.21 5.32 2.01 0.13 -1.04 115.64 123.01 1poh s THR 62 Ca 0.34 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1poh s THR 62 Cb -0.03 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 1poh s THR 62 CO 0.21 0.53 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.00 1poh s ILE 63 N 0.07 3.48 0.04 1.82 1.01 -0.49 -0.94 121.20 126.18 1poh s ILE 63 Ca -0.02 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.22 1poh s ILE 63 Cb -0.14 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 1poh s ILE 63 CO 0.03 0.43 -0.17 -0.44 0.00 0.00 0.00 174.94 174.79 1poh s SER 64 N 1.34 1.98 0.04 3.58 0.01 -0.41 -0.93 113.70 119.31 1poh s SER 64 Ca 0.04 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 56.81 1poh s SER 64 Cb -0.14 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1poh s SER 64 CO -0.02 0.09 -0.00 0.00 0.41 0.00 0.00 173.24 173.72 1poh s ALA 65 N -0.81 0.23 -0.16 1.44 0.00 0.13 -0.66 121.76 121.93 1poh s ALA 65 Ca 0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 1poh s ALA 65 Cb -0.08 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.33 1poh s ALA 65 CO 0.01 -0.28 0.19 -2.00 0.00 0.00 0.00 175.76 173.69 1poh s GLU 66 N -2.70 0.13 0.00 0.00 -6.30 0.03 -1.18 118.70 108.68 1poh s GLU 66 Ca -0.04 0.33 0.00 0.00 -2.50 0.00 0.00 54.97 52.75 1poh s GLU 66 Cb -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 34.13 33.22 1poh s GLU 66 CO -0.05 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.11 1poh n GLY 67 N 5.32 -1.63 0.34 -1.50 0.00 -1.26 -2.14 105.19 104.32 1poh n GLY 67 Ca -0.05 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 44.85 1poh n GLY 67 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1poh h GLU 68 N 0.00 1.01 -0.55 1.61 4.81 -1.98 -2.69 114.58 116.79 1poh h GLU 68 Ca 0.00 -0.06 -0.37 0.00 -0.13 0.00 0.00 59.36 58.80 1poh h GLU 68 Cb 0.00 -0.23 -0.25 0.00 0.63 0.00 0.00 28.75 28.91 1poh h GLU 68 CO 0.00 0.67 -0.30 -0.40 -0.73 0.00 0.00 179.01 178.25 1poh n ASP 69 N -4.58 4.03 -0.08 1.04 5.68 -1.26 -4.87 116.55 116.51 1poh n ASP 69 Ca 0.14 -3.80 0.17 0.00 -0.50 0.00 0.00 54.79 50.80 1poh n ASP 69 Cb 0.20 -0.55 0.58 0.00 -1.14 0.00 0.00 41.12 40.20 1poh n ASP 69 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1poh h GLU 70 N 1.60 0.23 -0.03 0.11 4.11 -1.82 -0.34 114.58 118.44 1poh h GLU 70 Ca 0.30 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.59 1poh h GLU 70 Cb 1.41 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.62 1poh h GLU 70 CO 0.65 0.15 -0.47 1.96 0.07 0.00 0.00 179.01 181.37 1poh h GLN 71 N 0.24 0.38 -0.55 1.06 1.08 -1.89 -2.84 115.11 112.58 1poh h GLN 71 Ca 0.30 -0.36 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 1poh h GLN 71 Cb 0.84 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.34 1poh h GLN 71 CO -0.06 1.03 0.19 -0.22 -0.95 0.00 0.00 178.83 178.82 1poh h LYS 72 N -0.13 0.84 -0.08 1.46 3.64 -1.93 0.66 116.57 121.04 1poh h LYS 72 Ca -0.05 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1poh h LYS 72 Cb 1.17 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1poh h LYS 72 CO 0.10 0.75 0.05 0.00 -2.27 0.00 0.00 179.45 178.08 1poh h ALA 73 N 1.05 0.10 -0.50 5.00 0.00 -1.09 -0.81 119.26 123.01 1poh h ALA 73 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1poh h ALA 73 Cb 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1poh h ALA 73 CO -0.01 -0.39 0.19 0.28 0.00 0.00 0.00 179.25 179.32 1poh h VAL 74 N 0.08 1.22 -0.34 0.00 2.07 -1.35 -1.41 116.25 116.51 1poh h VAL 74 Ca 0.03 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 66.93 1poh h VAL 74 Cb 0.02 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1poh h VAL 74 CO -0.01 0.25 0.03 -0.33 0.02 0.00 0.00 177.57 177.54 1poh h GLU 75 N 0.66 0.14 -0.51 1.57 5.08 -0.64 0.96 114.58 121.85 1poh h GLU 75 Ca 0.16 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 1poh h GLU 75 Cb 0.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1poh h GLU 75 CO -0.01 0.09 -0.10 0.45 -1.00 0.00 0.00 179.01 178.44 1poh h HIS 76 N 0.14 1.08 0.00 4.33 3.86 -0.99 -2.83 115.15 120.75 1poh h HIS 76 Ca 0.16 -0.23 -0.13 0.00 -1.16 0.00 0.00 60.37 59.02 1poh h HIS 76 Cb 0.21 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1poh h HIS 76 CO -0.21 1.02 -0.60 -0.07 0.86 0.00 0.00 177.93 178.93 1poh h LEU 77 N 0.83 0.00 -0.38 2.43 3.38 -0.55 -0.01 115.31 121.00 1poh h LEU 77 Ca 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1poh h LEU 77 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1poh h LEU 77 CO 0.05 0.60 -0.34 0.58 0.09 0.00 0.00 178.44 179.42 1poh h VAL 78 N 0.00 1.28 -0.10 1.22 2.07 -0.85 0.54 116.25 120.40 1poh h VAL 78 Ca -0.01 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 65.98 1poh h VAL 78 Cb 1.19 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1poh h VAL 78 CO 0.08 0.50 -0.04 0.50 0.02 0.00 0.00 177.57 178.63 1poh h LYS 79 N 0.72 0.20 -0.49 1.57 3.64 -1.30 -1.34 116.57 119.57 1poh h LYS 79 Ca 0.07 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1poh h LYS 79 Cb 0.93 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 1poh h LYS 79 CO 0.09 0.54 0.15 1.25 -2.27 0.00 0.00 179.45 179.21 1poh h LEU 80 N -0.15 0.12 -1.20 5.20 5.85 -0.96 -1.47 115.31 122.72 1poh h LEU 80 Ca 0.02 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1poh h LEU 80 Cb 0.48 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1poh h LEU 80 CO 0.01 0.10 0.55 -0.03 -0.34 0.00 0.00 178.44 178.73 1poh h MET 81 N 0.31 1.06 -0.01 1.25 4.05 -0.71 0.76 114.93 121.65 1poh h MET 81 Ca 0.24 -0.06 -0.18 0.00 -0.28 0.00 0.00 59.70 59.41 1poh h MET 81 Cb 0.27 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1poh h MET 81 CO -0.26 0.70 -0.82 0.00 0.23 0.00 0.00 176.91 176.76 1poh h ALA 82 N 1.49 0.61 0.06 0.39 0.00 -0.89 -3.29 119.26 117.63 1poh h ALA 82 Ca 0.31 -0.70 -0.24 0.00 0.00 0.00 0.00 54.91 54.29 1poh h ALA 82 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1poh h ALA 82 CO -0.07 0.91 -1.08 0.93 0.00 0.00 0.00 179.25 179.93 1poh h GLU 83 N 0.09 0.16 -6.42 0.00 5.08 -0.66 -3.45 114.58 109.38 1poh h GLU 83 Ca -0.03 -0.25 -0.60 0.00 -1.00 0.00 0.00 59.36 57.48 1poh h GLU 83 Cb 1.42 0.09 0.04 0.00 0.50 0.00 0.00 28.75 30.81 1poh h GLU 83 CO 0.12 1.09 0.88 1.28 -1.00 0.00 0.00 179.01 181.38 1poh n LEU 84 N -3.50 3.16 -0.56 1.33 4.32 0.20 -5.06 117.00 116.89 1poh n LEU 84 Ca -0.04 1.05 0.14 0.00 -0.02 0.00 0.00 56.01 57.13 1poh n LEU 84 Cb 0.95 -1.40 0.46 0.00 -1.62 0.00 0.00 43.42 41.80 1poh n LEU 84 CO 0.50 -0.24 0.83 -1.84 -1.22 0.00 0.00 177.39 175.42