#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyf s ILE 2 N 0.00 0.06 0.06 2.02 1.09 0.09 0.18 121.20 124.70 1iyf s ILE 2 Ca 0.00 -0.12 0.03 0.00 -1.10 0.00 0.00 60.65 59.46 1iyf s ILE 2 Cb 0.00 -0.59 -0.03 0.00 -1.06 0.00 0.00 42.46 40.78 1iyf s ILE 2 CO 0.00 -0.15 -0.10 -0.69 -0.10 0.00 0.00 174.94 173.89 1iyf s VAL 3 N 2.08 0.77 -0.04 2.92 1.01 1.01 -1.12 120.40 127.02 1iyf s VAL 3 Ca 0.02 -1.20 -0.26 0.00 0.00 0.00 0.00 61.98 60.54 1iyf s VAL 3 Cb -0.15 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1iyf s VAL 3 CO -0.08 -0.34 0.82 -0.36 0.00 0.00 0.00 175.10 175.15 1iyf s PHE 4 N -1.43 3.61 -0.35 5.22 0.40 -0.53 0.15 117.98 125.04 1iyf s PHE 4 Ca -0.06 1.44 -0.17 0.00 -0.60 0.00 0.00 56.93 57.54 1iyf s PHE 4 Cb -0.09 -2.95 -0.01 0.00 0.51 0.00 0.00 43.02 40.48 1iyf s PHE 4 CO 0.01 0.03 0.45 0.54 0.70 0.00 0.00 175.22 176.95 1iyf s VAL 5 N 0.94 5.08 0.01 -0.44 0.11 0.11 -1.94 120.40 124.26 1iyf s VAL 5 Ca 0.44 0.19 0.02 0.00 -2.93 0.00 0.00 61.98 59.69 1iyf s VAL 5 Cb -0.19 -3.91 -0.04 0.00 -1.53 0.00 0.00 36.38 30.71 1iyf s VAL 5 CO 0.22 -0.18 0.00 -0.13 -3.33 0.00 0.00 175.10 171.68 1iyf s ARG 6 N 2.23 2.77 0.02 1.54 3.00 -1.04 -1.72 118.95 125.76 1iyf s ARG 6 Ca 0.16 -0.63 0.00 0.00 0.00 0.00 0.00 55.73 55.25 1iyf s ARG 6 Cb -0.16 -2.66 -0.02 0.00 0.00 0.00 0.00 34.95 32.11 1iyf s ARG 6 CO 0.13 0.62 -0.02 0.12 0.00 0.00 0.00 175.30 176.14 1iyf s PHE 7 N -1.11 0.21 -0.55 -0.53 5.36 -1.21 1.00 117.98 121.14 1iyf s PHE 7 Ca 0.20 -0.42 -0.27 0.00 -0.96 0.00 0.00 56.93 55.48 1iyf s PHE 7 Cb -0.12 -0.15 -0.25 0.00 -0.34 0.00 0.00 43.02 42.16 1iyf s PHE 7 CO 0.11 -0.15 1.82 0.09 -1.46 0.00 0.00 175.22 175.63 1iyf n ASN 8 N 1.89 1.77 -0.12 6.13 4.13 -1.26 -4.53 115.26 123.29 1iyf n ASN 8 Ca -0.22 -2.58 0.00 0.00 1.68 0.00 0.00 54.58 53.47 1iyf n ASN 8 Cb 0.56 -1.03 0.00 0.00 -1.54 0.00 0.00 39.78 37.77 1iyf n ASN 8 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1iyf n SER 9 N 10.85 0.00 -3.81 6.41 2.88 -1.26 -5.16 113.62 123.52 1iyf n SER 9 Ca 0.47 -0.12 -0.23 0.00 -1.33 0.00 0.00 58.87 57.66 1iyf n SER 9 Cb 0.43 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.03 1iyf n SER 9 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1iyf n SER 10 N -0.09 -2.82 -4.64 -3.46 3.41 -1.26 -4.79 113.62 99.97 1iyf n SER 10 Ca 0.00 -0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 57.92 1iyf n SER 10 Cb 0.00 -0.79 0.01 0.00 -0.26 0.00 0.00 64.21 63.17 1iyf n SER 10 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1iyf n HIS 11 N -4.31 1.48 -1.70 7.33 -0.00 -1.26 -4.70 115.22 112.05 1iyf n HIS 11 Ca 0.04 0.54 -0.29 0.00 0.46 0.00 0.00 57.72 58.47 1iyf n HIS 11 Cb 0.45 -2.27 0.10 0.00 -0.12 0.00 0.00 29.99 28.15 1iyf n HIS 11 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1iyf s GLY 12 N -0.68 1.59 -0.05 1.57 0.00 -1.26 -4.96 107.32 103.54 1iyf s GLY 12 Ca 0.63 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.88 1iyf s GLY 12 CO 0.57 -0.00 -0.12 -0.12 0.00 0.00 0.00 173.10 173.43 1iyf s PHE 13 N -3.37 2.77 0.21 1.90 2.19 -0.70 -4.93 117.98 116.06 1iyf s PHE 13 Ca 0.62 -0.10 -0.31 0.00 0.33 0.00 0.00 56.93 57.47 1iyf s PHE 13 Cb -0.13 -1.64 -0.10 0.00 -1.31 0.00 0.00 43.02 39.83 1iyf s PHE 13 CO 0.52 0.24 1.53 -1.25 1.83 0.00 0.00 175.22 178.09 1iyf s PRO 14 N -0.83 4.22 -0.04 10.12 0.04 -1.26 -0.72 135.00 146.53 1iyf s PRO 14 Ca 0.12 2.38 0.06 0.00 0.04 0.00 0.00 61.00 63.60 1iyf s PRO 14 Cb -0.11 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1iyf s PRO 14 CO 0.01 -0.55 -0.22 0.54 0.04 0.00 0.00 177.00 176.83 1iyf s VAL 15 N 0.57 2.38 -1.13 -0.36 0.11 0.39 -4.79 120.40 117.56 1iyf s VAL 15 Ca 0.65 -0.97 -0.06 0.00 -2.93 0.00 0.00 61.98 58.67 1iyf s VAL 15 Cb -0.44 -1.88 0.27 0.00 -1.53 0.00 0.00 36.38 32.81 1iyf s VAL 15 CO 0.38 0.58 1.50 1.21 -3.33 0.00 0.00 175.10 175.43 1iyf n GLU 16 N 2.60 4.10 0.00 1.54 2.13 -1.26 0.33 120.64 130.09 1iyf n GLU 16 Ca -0.17 -4.31 0.00 0.00 0.66 0.00 0.00 57.16 53.35 1iyf n GLU 16 Cb 0.52 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.60 1iyf n GLU 16 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1iyf n VAL 17 N 2.11 0.00 -1.87 6.31 3.14 0.49 -4.60 118.33 123.91 1iyf n VAL 17 Ca 0.29 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.24 1iyf n VAL 17 Cb 0.35 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.10 1iyf n VAL 17 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1iyf s ASP 18 N 0.00 5.95 0.00 6.55 1.47 -1.26 -1.68 116.67 127.71 1iyf s ASP 18 Ca 0.00 1.74 0.29 0.00 1.18 0.00 0.00 52.55 55.77 1iyf s ASP 18 Cb 0.00 -2.52 1.53 0.00 -0.34 0.00 0.00 42.92 41.58 1iyf s ASP 18 CO 0.00 -1.59 2.01 -1.20 0.68 0.00 0.00 175.17 175.07 1iyf n SER 19 N 9.89 0.55 -0.00 2.11 7.64 -1.26 -3.86 113.62 128.69 1iyf n SER 19 Ca 0.24 -1.22 0.02 0.00 1.01 0.00 0.00 58.87 58.91 1iyf n SER 19 Cb 0.45 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1iyf n SER 19 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1iyf n ASP 20 N -0.55 3.14 -2.72 6.43 5.75 -1.26 -4.72 116.55 122.61 1iyf n ASP 20 Ca 0.21 -0.15 -0.25 0.00 -0.01 0.00 0.00 54.79 54.60 1iyf n ASP 20 Cb 0.19 1.13 0.02 0.00 -1.03 0.00 0.00 41.12 41.43 1iyf n ASP 20 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1iyf n THR 21 N -1.50 0.00 -0.04 2.12 5.66 -1.25 -4.34 114.28 114.93 1iyf n THR 21 Ca -0.00 -0.33 -0.01 0.00 -3.05 0.00 0.00 64.05 60.65 1iyf n THR 21 Cb 0.09 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.87 1iyf n THR 21 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1iyf n SER 22 N 1.96 -0.07 -0.30 1.09 2.88 -1.26 -1.99 113.62 115.94 1iyf n SER 22 Ca 0.02 0.03 0.17 0.00 -1.33 0.00 0.00 58.87 57.77 1iyf n SER 22 Cb 0.34 -0.03 0.33 0.00 -0.75 0.00 0.00 64.21 64.10 1iyf n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iyf n ILE 23 N -0.02 -0.37 -0.02 2.46 3.06 -1.26 0.74 119.36 123.95 1iyf n ILE 23 Ca 0.00 1.88 -0.13 0.00 -2.50 0.00 0.00 62.75 62.01 1iyf n ILE 23 Cb 0.01 -2.83 -0.09 0.00 0.54 0.00 0.00 39.64 37.27 1iyf n ILE 23 CO 0.00 0.00 0.00 -0.26 -2.50 0.00 0.00 176.55 173.79 1iyf h PHE 24 N 0.00 0.09 0.47 9.51 0.04 -1.96 -2.67 116.94 122.41 1iyf h PHE 24 Ca 0.59 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.32 1iyf h PHE 24 Cb 1.35 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 1iyf h PHE 24 CO -0.32 0.51 -0.37 1.96 -0.60 0.00 0.00 178.31 179.49 1iyf h GLN 25 N -0.35 -0.78 0.24 1.51 1.08 0.12 -0.73 115.11 116.19 1iyf h GLN 25 Ca 0.01 0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1iyf h GLN 25 Cb 0.49 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1iyf h GLN 25 CO 0.01 -0.52 -0.16 1.37 -0.95 0.00 0.00 178.83 178.57 1iyf h LEU 26 N -0.81 -0.40 -1.38 1.46 -0.00 -0.44 -1.76 115.31 111.97 1iyf h LEU 26 Ca -0.06 0.03 0.23 0.00 -0.00 0.00 0.00 57.88 58.07 1iyf h LEU 26 Cb 0.68 0.13 -0.08 0.00 -0.00 0.00 0.00 40.66 41.38 1iyf h LEU 26 CO 0.01 -0.26 0.63 0.11 -0.00 0.00 0.00 178.44 178.93 1iyf h LYS 27 N -0.39 0.44 0.69 0.17 1.57 -1.51 -0.99 116.57 116.55 1iyf h LYS 27 Ca -0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1iyf h LYS 27 Cb 0.34 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1iyf h LYS 27 CO 0.01 0.29 -0.33 1.49 -0.57 0.00 0.00 179.45 180.34 1iyf h GLU 28 N 0.45 -0.90 0.00 3.15 4.81 -0.29 -0.97 114.58 120.84 1iyf h GLU 28 Ca 0.54 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.86 1iyf h GLU 28 Cb 1.27 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.81 1iyf h GLU 28 CO -0.25 -0.60 -0.35 0.28 -0.73 0.00 0.00 179.01 177.36 1iyf h VAL 29 N -1.12 0.26 0.00 0.32 2.07 -0.77 0.91 116.25 117.92 1iyf h VAL 29 Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1iyf h VAL 29 Cb 0.71 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1iyf h VAL 29 CO 0.16 0.00 0.00 0.55 0.02 0.00 0.00 177.57 178.30 1iyf n VAL 30 N -5.42 0.00 -0.02 2.57 3.14 -0.43 -2.04 118.33 116.12 1iyf n VAL 30 Ca -0.05 1.38 0.24 0.00 -2.96 0.00 0.00 64.34 62.94 1iyf n VAL 30 Cb 0.34 -2.26 0.70 0.00 -1.06 0.00 0.00 33.84 31.55 1iyf n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1iyf h ALA 31 N -1.83 2.42 0.23 1.55 0.00 -1.20 2.40 119.26 122.83 1iyf h ALA 31 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1iyf h ALA 31 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1iyf h ALA 31 CO 0.00 -0.95 -0.11 -0.22 0.00 0.00 0.00 179.25 177.97 1iyf h LYS 32 N 0.00 -0.30 -0.00 0.00 3.64 -0.60 -2.71 116.57 116.59 1iyf h LYS 32 Ca 0.30 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1iyf h LYS 32 Cb 1.55 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1iyf h LYS 32 CO -0.00 0.07 -0.22 0.54 -2.27 0.00 0.00 179.45 177.57 1iyf n ARG 33 N -5.03 0.63 0.00 1.90 1.74 -0.28 -3.75 116.66 111.87 1iyf n ARG 33 Ca -0.09 -0.31 0.14 0.00 -0.77 0.00 0.00 57.85 56.83 1iyf n ARG 33 Cb 0.26 -1.49 0.72 0.00 -1.02 0.00 0.00 32.46 30.93 1iyf n ARG 33 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1iyf n GLN 34 N -0.91 0.41 -2.85 5.56 -0.06 0.80 -4.87 117.38 115.45 1iyf n GLN 34 Ca 0.12 0.01 -0.12 0.00 -2.00 0.00 0.00 57.00 55.02 1iyf n GLN 34 Cb 0.32 -1.50 0.03 0.00 -4.06 0.00 0.00 30.24 25.03 1iyf n GLN 34 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1iyf n GLY 35 N 1.15 0.12 1.52 1.69 0.00 -1.24 -4.98 105.19 103.46 1iyf n GLY 35 Ca 0.14 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1iyf n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1iyf n VAL 36 N -3.84 0.00 0.00 1.61 0.24 -1.03 -5.02 118.33 110.29 1iyf n VAL 36 Ca -0.03 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 1iyf n VAL 36 Cb 0.55 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 1iyf n VAL 36 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1iyf n PRO 37 N -0.28 2.36 -0.00 7.34 -0.04 -1.26 -4.35 135.00 138.78 1iyf n PRO 37 Ca 0.02 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1iyf n PRO 37 Cb 0.27 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.73 1iyf n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iyf n ALA 38 N -3.00 0.88 -1.30 0.55 0.00 -1.26 -3.37 120.51 113.01 1iyf n ALA 38 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1iyf n ALA 38 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 1iyf n ALA 38 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iyf n ASP 39 N -2.52 2.38 0.00 0.00 9.92 -1.26 -3.77 116.55 121.30 1iyf n ASP 39 Ca -0.00 -3.47 0.00 0.00 -0.53 0.00 0.00 54.79 50.79 1iyf n ASP 39 Cb 0.00 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 1iyf n ASP 39 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1iyf n GLN 40 N -1.15 0.00 0.00 -1.24 -0.06 -1.26 -4.80 117.38 108.87 1iyf n GLN 40 Ca 0.21 0.54 0.00 0.00 -2.00 0.00 0.00 57.00 55.75 1iyf n GLN 40 Cb 0.76 -1.35 0.00 0.00 -4.06 0.00 0.00 30.24 25.59 1iyf n GLN 40 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1iyf n LEU 41 N -1.88 0.00 -4.03 1.69 -0.00 -1.24 -5.01 117.00 106.54 1iyf n LEU 41 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 1iyf n LEU 41 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 1iyf n LEU 41 CO 0.00 0.00 -0.44 -0.13 -0.00 0.00 0.00 177.39 176.82 1iyf s ARG 42 N 0.48 0.82 -0.03 1.96 3.00 0.43 -4.95 118.95 120.66 1iyf s ARG 42 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 55.73 55.43 1iyf s ARG 42 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 34.95 34.13 1iyf s ARG 42 CO 0.00 0.19 -0.12 0.08 0.00 0.00 0.00 175.30 175.45 1iyf s VAL 43 N -0.14 3.26 0.10 3.52 1.01 -1.26 -0.54 120.40 126.35 1iyf s VAL 43 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1iyf s VAL 43 Cb -0.05 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1iyf s VAL 43 CO -0.00 0.51 -0.01 -0.63 0.00 0.00 0.00 175.10 174.96 1iyf s ILE 44 N -0.84 0.38 0.09 2.22 1.09 0.21 -2.18 121.20 122.17 1iyf s ILE 44 Ca 0.13 -1.89 0.04 0.00 -1.10 0.00 0.00 60.65 57.83 1iyf s ILE 44 Cb -0.11 -1.79 -0.03 0.00 -1.06 0.00 0.00 42.46 39.46 1iyf s ILE 44 CO 0.03 -0.74 -0.11 0.12 -0.10 0.00 0.00 174.94 174.14 1iyf s PHE 45 N -3.84 1.08 -0.19 3.97 5.36 -0.36 0.13 117.98 124.14 1iyf s PHE 45 Ca 0.15 -0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 55.51 1iyf s PHE 45 Cb 0.07 -0.60 0.02 0.00 -0.34 0.00 0.00 43.02 42.18 1iyf s PHE 45 CO -0.03 0.02 0.06 0.00 -1.46 0.00 0.00 175.22 173.80 1iyf n ALA 46 N 0.78 -0.15 0.00 11.12 0.00 -1.20 0.36 120.51 131.42 1iyf n ALA 46 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1iyf n ALA 46 Cb 0.57 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1iyf n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iyf n GLY 47 N -0.46 2.79 3.60 0.00 0.00 -1.26 -4.99 105.19 104.86 1iyf n GLY 47 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1iyf n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iyf s LYS 48 N -0.21 3.96 0.27 1.61 -2.85 1.14 -5.03 119.74 118.63 1iyf s LYS 48 Ca 0.00 0.23 -0.30 0.00 -1.00 0.00 0.00 55.97 54.91 1iyf s LYS 48 Cb 0.00 -3.69 -0.10 0.00 -2.06 0.00 0.00 37.83 31.98 1iyf s LYS 48 CO 0.00 -0.45 1.39 -2.00 0.10 0.00 0.00 175.35 174.39 1iyf s GLU 49 N 2.39 4.30 -0.13 1.78 2.12 -1.26 -1.23 118.70 126.67 1iyf s GLU 49 Ca 0.22 2.26 -0.03 0.00 0.36 0.00 0.00 54.97 57.77 1iyf s GLU 49 Cb -0.15 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 1iyf s GLU 49 CO 0.10 -0.34 0.35 1.47 -0.54 0.00 0.00 175.26 176.30 1iyf n LEU 50 N 1.83 -0.02 -4.06 2.70 -0.00 -0.93 -4.64 117.00 111.88 1iyf n LEU 50 Ca 0.04 -0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.74 1iyf n LEU 50 Cb 0.41 -0.11 -0.16 0.00 -0.00 0.00 0.00 43.42 43.56 1iyf n LEU 50 CO 0.60 -0.12 -0.50 -0.13 -0.00 0.00 0.00 177.39 177.24 1iyf s ARG 51 N 1.14 2.56 0.28 1.47 3.00 -1.26 -4.66 118.95 121.49 1iyf s ARG 51 Ca 0.18 -0.79 -0.03 0.00 0.00 0.00 0.00 55.73 55.09 1iyf s ARG 51 Cb -0.16 -2.43 0.59 0.00 0.00 0.00 0.00 34.95 32.96 1iyf s ARG 51 CO 0.07 -0.28 1.50 0.27 0.00 0.00 0.00 175.30 176.86 1iyf n ASN 52 N 4.66 -0.23 0.00 0.23 6.94 -1.26 -1.61 115.26 123.99 1iyf n ASN 52 Ca -0.18 1.64 0.00 0.00 -0.02 0.00 0.00 54.58 56.02 1iyf n ASN 52 Cb 0.49 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1iyf n ASN 52 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1iyf n ASP 53 N -5.50 1.48 -0.07 0.53 9.92 -1.26 -4.27 116.55 117.39 1iyf n ASP 53 Ca 0.19 -0.30 -0.08 0.00 -0.53 0.00 0.00 54.79 54.07 1iyf n ASP 53 Cb 0.61 0.89 -0.15 0.00 -0.64 0.00 0.00 41.12 41.83 1iyf n ASP 53 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1iyf n TRP 54 N -1.04 0.29 -0.04 1.24 -0.00 -1.13 -2.53 117.44 114.24 1iyf n TRP 54 Ca 0.00 0.10 -0.01 0.00 -0.00 0.00 0.00 57.50 57.60 1iyf n TRP 54 Cb 0.00 -1.03 -0.10 0.00 -0.00 0.00 0.00 31.31 30.19 1iyf n TRP 54 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1iyf n THR 55 N -2.81 0.47 0.00 5.87 -1.04 -0.64 -4.27 114.28 111.86 1iyf n THR 55 Ca -0.27 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 1iyf n THR 55 Cb 1.09 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 69.30 1iyf n THR 55 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1iyf n VAL 56 N -2.23 0.00 0.05 12.58 0.24 -0.86 -4.55 118.33 123.57 1iyf n VAL 56 Ca -0.12 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 1iyf n VAL 56 Cb 0.65 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 33.05 1iyf n VAL 56 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1iyf h GLN 57 N 0.00 0.39 0.00 7.34 1.08 -1.89 -1.64 115.11 120.39 1iyf h GLN 57 Ca 0.00 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1iyf h GLN 57 Cb 0.00 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1iyf h GLN 57 CO 0.00 0.96 0.00 0.09 -0.95 0.00 0.00 178.83 178.93 1iyf n ASN 58 N -3.83 0.00 0.00 1.46 3.02 -1.26 -3.68 115.26 110.96 1iyf n ASN 58 Ca -0.04 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1iyf n ASN 58 Cb 0.70 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 1iyf n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iyf n ASP 60 N -1.51 -2.30 -4.49 0.00 2.03 -0.96 -4.96 116.55 104.36 1iyf n ASP 60 Ca 0.00 -2.16 -0.28 0.00 0.52 0.00 0.00 54.79 52.87 1iyf n ASP 60 Cb 0.00 1.25 -0.11 0.00 -0.72 0.00 0.00 41.12 41.54 1iyf n ASP 60 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1iyf s LEU 61 N 0.39 2.69 0.45 -2.67 2.01 -1.25 -4.96 118.68 115.34 1iyf s LEU 61 Ca 0.28 -0.63 0.04 0.00 0.01 0.00 0.00 54.13 53.83 1iyf s LEU 61 Cb 0.13 -1.49 -0.05 0.00 0.01 0.00 0.00 46.19 44.80 1iyf s LEU 61 CO -0.11 0.15 0.01 -1.81 1.01 0.00 0.00 176.35 175.60 1iyf s ASP 62 N -2.37 3.88 0.29 2.29 1.01 -1.26 -4.99 116.67 115.51 1iyf s ASP 62 Ca 0.20 -1.52 -0.01 0.00 0.71 0.00 0.00 52.55 51.93 1iyf s ASP 62 Cb -0.10 0.09 0.47 0.00 1.01 0.00 0.00 42.92 44.39 1iyf s ASP 62 CO 0.11 -0.67 1.90 0.06 0.21 0.00 0.00 175.17 176.78 1iyf h GLN 63 N 1.59 1.07 -3.30 8.23 -0.00 -1.99 -3.22 115.11 117.49 1iyf h GLN 63 Ca -0.43 -0.06 -0.67 0.00 -0.00 0.00 0.00 58.65 57.48 1iyf h GLN 63 Cb 1.28 -0.24 -0.38 0.00 -0.00 0.00 0.00 27.48 28.13 1iyf h GLN 63 CO 0.76 0.71 -0.37 1.14 -0.00 0.00 0.00 178.83 181.07 1iyf s GLN 64 N -5.97 2.71 0.45 0.06 -2.07 -1.24 -0.73 119.66 112.87 1iyf s GLN 64 Ca -0.12 -3.07 0.08 0.00 -1.82 0.00 0.00 55.36 50.43 1iyf s GLN 64 Cb 0.20 -3.66 0.01 0.00 -1.09 0.00 0.00 33.01 28.47 1iyf s GLN 64 CO 0.81 -1.23 0.53 -1.12 -1.32 0.00 0.00 175.29 172.96 1iyf s SER 65 N -0.42 5.31 -0.10 12.60 0.01 -0.27 -4.99 113.70 125.84 1iyf s SER 65 Ca 0.23 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1iyf s SER 65 Cb -0.11 -0.41 0.02 0.00 0.21 0.00 0.00 66.02 65.72 1iyf s SER 65 CO -0.10 -0.84 -0.08 0.27 0.41 0.00 0.00 173.24 172.90 1iyf s ILE 66 N -2.47 1.03 -0.06 1.44 -5.25 -1.26 -1.45 121.20 113.18 1iyf s ILE 66 Ca 0.53 -0.32 0.05 0.00 -0.99 0.00 0.00 60.65 59.92 1iyf s ILE 66 Cb -0.07 -1.02 -0.01 0.00 2.95 0.00 0.00 42.46 44.31 1iyf s ILE 66 CO 0.32 0.36 -0.22 -0.69 -1.79 0.00 0.00 174.94 172.91 1iyf s VAL 67 N 1.47 2.29 -0.49 8.37 1.01 -0.82 -3.24 120.40 128.99 1iyf s VAL 67 Ca 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 1iyf s VAL 67 Cb -0.13 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.44 1iyf s VAL 67 CO -0.05 0.57 0.66 -2.28 0.00 0.00 0.00 175.10 174.00 1iyf s HIS 68 N -0.25 3.02 -0.10 5.22 2.46 0.35 -2.48 115.29 123.52 1iyf s HIS 68 Ca -0.01 -0.36 -0.04 0.00 0.47 0.00 0.00 55.06 55.12 1iyf s HIS 68 Cb -0.13 -3.55 -0.04 0.00 -0.13 0.00 0.00 32.58 28.74 1iyf s HIS 68 CO 0.03 -1.03 0.08 0.42 -2.47 0.00 0.00 174.74 171.77 1iyf s ILE 69 N 2.83 4.98 -0.57 0.89 1.09 0.28 0.67 121.20 131.36 1iyf s ILE 69 Ca 0.19 -0.01 0.07 0.00 -1.10 0.00 0.00 60.65 59.79 1iyf s ILE 69 Cb -0.17 -3.15 0.25 0.00 -1.06 0.00 0.00 42.46 38.33 1iyf s ILE 69 CO 0.14 0.60 0.70 0.52 -0.10 0.00 0.00 174.94 176.80 1iyf n VAL 70 N 1.99 1.58 -3.57 2.92 0.31 0.30 -3.35 118.33 118.51 1iyf n VAL 70 Ca -0.19 -4.92 -0.40 0.00 -0.01 0.00 0.00 64.34 58.82 1iyf n VAL 70 Cb 0.54 -2.03 -0.06 0.00 -0.91 0.00 0.00 33.84 31.38 1iyf n VAL 70 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1iyf s GLN 71 N -2.18 3.09 0.02 5.55 2.00 -1.22 -0.42 119.66 126.49 1iyf s GLN 71 Ca 0.39 -2.70 0.04 0.00 -2.00 0.00 0.00 55.36 51.09 1iyf s GLN 71 Cb 0.16 -4.02 -0.02 0.00 0.80 0.00 0.00 33.01 29.94 1iyf s GLN 71 CO -0.04 -1.23 -0.14 -0.98 -0.50 0.00 0.00 175.29 172.41 1iyf s ARG 72 N -0.33 1.00 0.57 1.67 1.70 -1.26 -4.83 118.95 117.47 1iyf s ARG 72 Ca 0.20 -0.62 -0.18 0.00 -0.47 0.00 0.00 55.73 54.66 1iyf s ARG 72 Cb -0.14 -0.98 -0.04 0.00 -0.57 0.00 0.00 34.95 33.21 1iyf s ARG 72 CO -0.07 0.26 1.12 -1.25 -1.08 0.00 0.00 175.30 174.28 1iyf s PRO 73 N -0.74 3.22 -0.53 3.89 0.04 -1.26 -3.62 135.00 136.00 1iyf s PRO 73 Ca 0.03 1.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.40 1iyf s PRO 73 Cb -0.07 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1iyf s PRO 73 CO 0.00 -0.94 0.77 -0.46 0.04 0.00 0.00 177.00 176.41 1iyf s TRP 74 N -1.94 2.93 -0.40 0.56 -0.11 -1.26 -5.01 118.94 113.72 1iyf s TRP 74 Ca 0.71 -0.33 -0.07 0.00 1.22 0.00 0.00 56.10 57.63 1iyf s TRP 74 Cb -0.23 -3.80 0.08 0.00 -1.50 0.00 0.00 33.47 28.03 1iyf s TRP 74 CO 0.31 -1.19 0.21 0.50 -4.62 0.00 0.00 176.95 172.15 1iyf s ARG 75 N 3.22 2.47 0.00 5.86 6.06 -1.26 -5.21 118.95 130.09 1iyf s ARG 75 Ca 0.22 -1.48 0.00 0.00 -2.50 0.00 0.00 55.73 51.96 1iyf s ARG 75 Cb -0.16 -3.65 0.00 0.00 0.06 0.00 0.00 34.95 31.19 1iyf s ARG 75 CO 0.15 -0.92 0.00 1.17 -2.50 0.00 0.00 175.30 173.20