#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 0.68 0.04 2.02 -4.36 -0.31 0.22 121.20 119.49 1iyf s ILE 2 Ca 0.00 -0.39 0.05 0.00 -0.26 0.00 0.00 60.65 60.06 1iyf s ILE 2 Cb 0.00 -0.98 -0.02 0.00 1.25 0.00 0.00 42.46 42.71 1iyf s ILE 2 CO 0.00 0.04 -0.15 -0.69 0.24 0.00 0.00 174.94 174.38 1iyf s VAL 3 N 1.81 1.18 -0.10 8.37 1.01 1.11 -2.02 120.40 131.77 1iyf s VAL 3 Ca 0.01 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 60.69 1iyf s VAL 3 Cb -0.15 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1iyf s VAL 3 CO -0.07 0.03 0.93 -0.36 0.00 0.00 0.00 175.10 175.63 1iyf s PHE 4 N -0.84 3.53 -0.38 5.22 0.40 -0.60 0.13 117.98 125.44 1iyf s PHE 4 Ca 0.02 1.51 -0.19 0.00 -0.60 0.00 0.00 56.93 57.67 1iyf s PHE 4 Cb -0.08 -3.10 0.01 0.00 0.51 0.00 0.00 43.02 40.36 1iyf s PHE 4 CO 0.01 -0.16 0.55 0.54 0.70 0.00 0.00 175.22 176.86 1iyf s VAL 5 N 1.73 4.97 0.11 -0.44 0.11 -0.01 -1.99 120.40 124.88 1iyf s VAL 5 Ca 0.46 0.25 0.03 0.00 -2.93 0.00 0.00 61.98 59.79 1iyf s VAL 5 Cb -0.18 -4.03 -0.04 0.00 -1.53 0.00 0.00 36.38 30.59 1iyf s VAL 5 CO 0.19 -0.33 0.14 -0.13 -3.33 0.00 0.00 175.10 171.64 1iyf s ARG 6 N 2.49 3.05 0.27 1.54 1.81 -0.88 -1.95 118.95 125.28 1iyf s ARG 6 Ca 0.19 -0.68 0.02 0.00 -1.72 0.00 0.00 55.73 53.54 1iyf s ARG 6 Cb -0.15 -2.79 -0.04 0.00 -0.45 0.00 0.00 34.95 31.51 1iyf s ARG 6 CO 0.15 0.55 0.13 0.12 -0.68 0.00 0.00 175.30 175.56 1iyf s PHE 7 N -1.55 1.50 0.71 -0.53 5.36 -1.22 0.10 117.98 122.36 1iyf s PHE 7 Ca 0.31 -1.30 -0.08 0.00 -0.96 0.00 0.00 56.93 54.91 1iyf s PHE 7 Cb -0.12 -0.82 0.02 0.00 -0.34 0.00 0.00 43.02 41.76 1iyf s PHE 7 CO 0.24 -0.47 -0.13 -1.71 -1.46 0.00 0.00 175.22 171.69 1iyf n ASN 8 N -0.63 -2.41 -4.26 6.13 5.15 -1.26 -3.96 115.26 114.02 1iyf n ASN 8 Ca 0.01 -0.11 -0.07 0.00 -0.60 0.00 0.00 54.58 53.82 1iyf n ASN 8 Cb 0.66 -0.58 -0.06 0.00 -0.53 0.00 0.00 39.78 39.27 1iyf n ASN 8 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1iyf n SER 9 N 1.88 -0.47 -3.67 1.20 2.88 -1.26 -4.66 113.62 109.51 1iyf n SER 9 Ca 0.01 -1.90 -0.14 0.00 -1.33 0.00 0.00 58.87 55.52 1iyf n SER 9 Cb 0.21 -1.11 -0.07 0.00 -0.75 0.00 0.00 64.21 62.49 1iyf n SER 9 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1iyf s SER 10 N 3.95 0.67 -0.46 -3.46 1.04 -1.25 -5.12 113.70 109.06 1iyf s SER 10 Ca 0.38 -1.41 -0.24 0.00 0.48 0.00 0.00 55.95 55.15 1iyf s SER 10 Cb -0.02 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1iyf s SER 10 CO 0.09 -1.09 0.87 -2.28 0.98 0.00 0.00 173.24 171.81 1iyf s HIS 11 N -3.62 2.95 0.54 5.02 2.46 -1.26 -4.78 115.29 116.60 1iyf s HIS 11 Ca 0.33 0.29 -0.11 0.00 0.47 0.00 0.00 55.06 56.05 1iyf s HIS 11 Cb 0.02 -3.85 -0.05 0.00 -0.13 0.00 0.00 32.58 28.57 1iyf s HIS 11 CO 0.17 -1.06 0.93 0.20 -2.47 0.00 0.00 174.74 172.52 1iyf s GLY 12 N 2.23 1.73 0.03 1.59 0.00 -1.26 -4.92 107.32 106.71 1iyf s GLY 12 Ca 0.34 -0.15 0.06 0.00 0.00 0.00 0.00 44.72 44.97 1iyf s GLY 12 CO 0.25 0.08 -0.18 -0.11 0.00 0.00 0.00 173.10 173.14 1iyf s PHE 13 N -2.88 1.58 0.23 1.90 -0.71 -0.82 -4.99 117.98 112.28 1iyf s PHE 13 Ca 0.53 -0.35 -0.30 0.00 -1.04 0.00 0.00 56.93 55.77 1iyf s PHE 13 Cb -0.11 -0.95 -0.10 0.00 -1.21 0.00 0.00 43.02 40.66 1iyf s PHE 13 CO 0.45 0.05 1.40 -1.25 -1.34 0.00 0.00 175.22 174.54 1iyf s PRO 14 N -1.03 4.30 -0.07 1.99 0.04 -1.26 -0.83 135.00 138.15 1iyf s PRO 14 Ca 0.05 2.22 0.05 0.00 0.04 0.00 0.00 61.00 63.37 1iyf s PRO 14 Cb -0.08 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1iyf s PRO 14 CO 0.01 -0.37 -0.21 0.54 0.04 0.00 0.00 177.00 177.01 1iyf s VAL 15 N 0.07 2.45 -1.22 -0.36 0.11 0.35 -4.78 120.40 117.02 1iyf s VAL 15 Ca 0.59 -0.92 -0.08 0.00 -2.93 0.00 0.00 61.98 58.64 1iyf s VAL 15 Cb -0.40 -1.93 0.21 0.00 -1.53 0.00 0.00 36.38 32.72 1iyf s VAL 15 CO 0.41 0.57 1.79 1.21 -3.33 0.00 0.00 175.10 175.75 1iyf n GLU 16 N 2.86 3.92 0.00 1.54 2.13 -1.26 0.36 120.64 130.19 1iyf n GLU 16 Ca -0.17 -3.82 0.00 0.00 0.66 0.00 0.00 57.16 53.82 1iyf n GLU 16 Cb 0.52 -2.79 0.00 0.00 0.27 0.00 0.00 31.44 29.44 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 2.66 0.00 -1.95 6.31 3.14 0.61 -4.59 118.33 124.51 1iyf n VAL 17 Ca 0.37 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.32 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 -1.81 -6.46 0.00 0.00 176.83 168.56 1iyf s ASP 18 N 0.00 6.63 0.10 6.55 1.01 -1.26 -1.64 116.67 128.08 1iyf s ASP 18 Ca 0.00 2.31 0.15 0.00 0.71 0.00 0.00 52.55 55.73 1iyf s ASP 18 Cb 0.00 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.29 1iyf s ASP 18 CO 0.00 -0.94 0.98 -1.28 0.21 0.00 0.00 175.17 174.14 1iyf h SER 19 N 9.60 0.00 1.04 0.27 0.87 -1.93 -3.37 113.55 120.03 1iyf h SER 19 Ca -0.41 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.06 1iyf h SER 19 Cb 1.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1iyf h SER 19 CO 0.95 0.62 -1.01 -2.24 -0.53 0.00 0.00 176.83 174.62 1iyf h ASP 20 N 0.00 0.00 -1.41 6.23 2.03 -1.90 -3.37 116.42 118.01 1iyf h ASP 20 Ca -0.13 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.75 1iyf h ASP 20 Cb 1.59 0.00 0.13 0.00 -0.83 0.00 0.00 39.33 40.22 1iyf h ASP 20 CO 0.06 0.33 -0.87 1.07 -1.03 0.00 0.00 179.24 178.80 1iyf n THR 21 N -2.90 0.00 0.00 1.15 5.66 -1.26 -4.40 114.28 112.53 1iyf n THR 21 Ca -0.03 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 1iyf n THR 21 Cb 0.70 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.48 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 1.85 0.00 -0.34 1.09 2.88 -1.26 -0.99 113.62 116.85 1iyf n SER 22 Ca 0.05 0.00 0.32 0.00 -1.33 0.00 0.00 58.87 57.91 1iyf n SER 22 Cb 0.34 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.38 1iyf n SER 22 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1iyf h ILE 23 N 0.00 0.05 -0.12 2.46 2.10 -1.90 1.15 117.51 121.25 1iyf h ILE 23 Ca 0.00 -0.02 -0.02 0.00 1.08 0.00 0.00 64.86 65.90 1iyf h ILE 23 Cb 0.00 -0.01 -0.00 0.00 -1.09 0.00 0.00 36.82 35.72 1iyf h ILE 23 CO 0.00 0.01 -0.02 -0.26 -1.08 0.00 0.00 178.15 176.80 1iyf h PHE 24 N 0.05 0.25 0.41 2.19 0.04 -1.96 -1.68 116.94 116.25 1iyf h PHE 24 Ca 0.83 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 61.53 1iyf h PHE 24 Cb 2.23 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 40.33 1iyf h PHE 24 CO -0.01 0.50 -0.20 1.96 -0.60 0.00 0.00 178.31 179.96 1iyf h GLN 25 N -0.07 -0.53 0.34 1.51 1.08 0.89 -2.04 115.11 116.29 1iyf h GLN 25 Ca 0.03 0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1iyf h GLN 25 Cb 0.41 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1iyf h GLN 25 CO 0.01 -0.24 -0.36 1.37 -0.95 0.00 0.00 178.83 178.66 1iyf h LEU 26 N -0.81 -0.98 -1.31 1.46 8.10 0.17 -1.57 115.31 120.37 1iyf h LEU 26 Ca -0.06 0.09 0.17 0.00 0.11 0.00 0.00 57.88 58.19 1iyf h LEU 26 Cb 0.54 0.33 -0.08 0.00 -0.44 0.00 0.00 40.66 41.02 1iyf h LEU 26 CO 0.09 -0.50 0.59 0.07 -4.11 0.00 0.00 178.44 174.58 1iyf h LYS 27 N -0.73 0.59 0.65 0.17 5.09 -1.39 -1.40 116.57 119.55 1iyf h LYS 27 Ca -0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 60.65 60.65 1iyf h LYS 27 Cb 0.67 -0.13 0.01 0.00 0.10 0.00 0.00 32.23 32.87 1iyf h LYS 27 CO -0.07 0.39 -0.31 1.49 -2.09 0.00 0.00 179.45 178.85 1iyf h GLU 28 N 0.61 -0.85 -0.19 0.07 4.57 -0.70 -1.42 114.58 116.67 1iyf h GLU 28 Ca 0.48 0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.77 1iyf h GLU 28 Cb 0.90 0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 29.63 1iyf h GLU 28 CO -0.23 -0.54 -0.19 0.28 -1.18 0.00 0.00 179.01 177.14 1iyf h VAL 29 N -1.19 0.49 0.00 0.32 2.07 -0.97 0.89 116.25 117.86 1iyf h VAL 29 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1iyf h VAL 29 Cb 0.70 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1iyf h VAL 29 CO 0.15 0.00 0.00 0.55 0.02 0.00 0.00 177.57 178.29 1iyf n VAL 30 N -5.34 0.00 -0.13 2.57 3.14 -0.56 -2.13 118.33 115.88 1iyf n VAL 30 Ca -0.02 1.17 0.27 0.00 -2.96 0.00 0.00 64.34 62.80 1iyf n VAL 30 Cb 0.26 -2.12 0.72 0.00 -1.06 0.00 0.00 33.84 31.64 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 -2.00 2.74 0.24 1.55 0.00 -1.33 2.57 119.26 123.04 1iyf h ALA 31 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1iyf h ALA 31 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1iyf h ALA 31 CO 0.00 -1.01 -0.12 -0.22 0.00 0.00 0.00 179.25 177.90 1iyf h LYS 32 N 0.00 -0.31 -0.00 0.00 3.64 -0.66 -1.91 116.57 117.33 1iyf h LYS 32 Ca 0.38 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1iyf h LYS 32 Cb 1.57 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 1iyf h LYS 32 CO -0.00 0.04 -0.14 0.54 -2.27 0.00 0.00 179.45 177.62 1iyf n ARG 33 N -5.06 0.30 0.00 1.90 1.74 -0.51 -3.44 116.66 111.59 1iyf n ARG 33 Ca -0.09 -0.09 0.15 0.00 -0.77 0.00 0.00 57.85 57.05 1iyf n ARG 33 Cb 0.26 -1.50 0.76 0.00 -1.02 0.00 0.00 32.46 30.96 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 -1.27 0.47 -2.82 5.56 -0.06 0.85 -4.88 117.38 115.23 1iyf n GLN 34 Ca 0.10 -0.01 -0.11 0.00 -2.00 0.00 0.00 57.00 54.99 1iyf n GLN 34 Cb 0.30 -1.50 0.03 0.00 -4.06 0.00 0.00 30.24 25.01 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 1.27 0.19 1.24 1.69 0.00 -1.21 -4.98 105.19 103.39 1iyf n GLY 35 Ca 0.15 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.75 0.00 0.00 1.61 0.24 -0.72 -5.05 118.33 110.65 1iyf n VAL 36 Ca -0.02 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1iyf n VAL 36 Cb 0.54 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 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 -0.23 2.93 -0.01 7.34 -0.04 -1.25 -4.19 135.00 139.55 1iyf n PRO 37 Ca 0.01 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1iyf n PRO 37 Cb 0.22 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.68 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 1.17 -1.65 0.55 0.00 -1.26 -2.84 120.51 113.48 1iyf n ALA 38 Ca 0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 1iyf n ALA 38 Cb 0.00 0.02 0.12 0.00 0.00 0.00 0.00 19.45 19.59 1iyf n ALA 38 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1iyf n ASP 39 N -2.82 4.19 0.00 0.00 5.68 -1.26 -3.92 116.55 118.41 1iyf n ASP 39 Ca -0.02 -3.79 0.00 0.00 -0.50 0.00 0.00 54.79 50.49 1iyf n ASP 39 Cb 0.07 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1iyf n ASP 39 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1iyf n GLN 40 N -0.94 0.00 0.00 0.11 -0.06 -1.26 -4.82 117.38 110.40 1iyf n GLN 40 Ca 0.42 0.23 0.00 0.00 -2.00 0.00 0.00 57.00 55.65 1iyf n GLN 40 Cb 0.93 -0.90 0.00 0.00 -4.06 0.00 0.00 30.24 26.21 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 -0.63 0.00 -4.19 1.69 7.94 -1.26 -4.97 117.00 115.58 1iyf n LEU 41 Ca 0.00 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.70 1iyf n LEU 41 Cb 0.00 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.82 1iyf n LEU 41 CO 0.00 0.00 -0.48 -0.13 -1.11 0.00 0.00 177.39 175.67 1iyf s ARG 42 N 1.33 0.96 0.06 1.96 0.52 0.28 -4.89 118.95 119.18 1iyf s ARG 42 Ca 0.00 -0.91 0.08 0.00 -0.52 0.00 0.00 55.73 54.38 1iyf s ARG 42 Cb 0.00 -1.02 -0.03 0.00 0.52 0.00 0.00 34.95 34.42 1iyf s ARG 42 CO 0.00 0.24 -0.19 0.08 0.02 0.00 0.00 175.30 175.45 1iyf s VAL 43 N -1.05 2.71 0.06 3.52 1.01 -1.26 0.14 120.40 125.53 1iyf s VAL 43 Ca 0.02 -1.30 -0.05 0.00 0.00 0.00 0.00 61.98 60.64 1iyf s VAL 43 Cb -0.09 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1iyf s VAL 43 CO 0.02 0.28 0.08 -0.63 0.00 0.00 0.00 175.10 174.85 1iyf s ILE 44 N -0.97 0.17 0.08 2.22 1.09 0.37 -1.81 121.20 122.36 1iyf s ILE 44 Ca 0.15 -1.43 0.02 0.00 -1.10 0.00 0.00 60.65 58.30 1iyf s ILE 44 Cb -0.10 -1.34 -0.04 0.00 -1.06 0.00 0.00 42.46 39.92 1iyf s ILE 44 CO 0.06 -0.79 -0.08 0.12 -0.10 0.00 0.00 174.94 174.15 1iyf s PHE 45 N -3.69 0.89 -0.49 3.97 5.36 -0.59 0.19 117.98 123.62 1iyf s PHE 45 Ca 0.04 -0.73 -0.06 0.00 -0.96 0.00 0.00 56.93 55.22 1iyf s PHE 45 Cb 0.05 -0.51 0.06 0.00 -0.34 0.00 0.00 43.02 42.29 1iyf s PHE 45 CO -0.10 -0.09 0.16 0.00 -1.46 0.00 0.00 175.22 173.73 1iyf n ALA 46 N 0.51 -0.39 0.00 11.12 0.00 -1.23 0.32 120.51 130.84 1iyf n ALA 46 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1iyf n ALA 46 Cb 0.58 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.58 2.81 3.63 0.00 0.00 -1.26 -4.98 105.19 104.82 1iyf n GLY 47 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1iyf n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyf s LYS 48 N 0.00 4.11 0.20 1.61 3.01 0.95 -5.03 119.74 124.59 1iyf s LYS 48 Ca 0.00 0.30 -0.31 0.00 -1.01 0.00 0.00 55.97 54.94 1iyf s LYS 48 Cb 0.00 -3.61 -0.11 0.00 -1.01 0.00 0.00 37.83 33.10 1iyf s LYS 48 CO 0.00 -0.25 1.62 -2.00 0.51 0.00 0.00 175.35 175.23 1iyf s GLU 49 N 1.97 4.18 -0.07 1.68 2.12 -1.26 -1.54 118.70 125.77 1iyf s GLU 49 Ca 0.21 2.47 -0.03 0.00 0.36 0.00 0.00 54.97 57.98 1iyf s GLU 49 Cb -0.15 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 1iyf s GLU 49 CO 0.09 -0.65 0.21 1.47 -0.54 0.00 0.00 175.26 175.84 1iyf n LEU 50 N 3.73 0.04 -3.99 2.70 -0.00 -0.75 -4.70 117.00 114.02 1iyf n LEU 50 Ca 0.14 0.03 -0.30 0.00 -0.00 0.00 0.00 56.01 55.88 1iyf n LEU 50 Cb 0.37 -0.08 -0.16 0.00 -0.00 0.00 0.00 43.42 43.55 1iyf n LEU 50 CO 0.62 -0.06 -0.47 -0.13 -0.00 0.00 0.00 177.39 177.35 1iyf s ARG 51 N 0.67 2.09 0.31 1.47 3.00 -1.26 -4.88 118.95 120.35 1iyf s ARG 51 Ca 0.11 -0.64 0.02 0.00 0.00 0.00 0.00 55.73 55.22 1iyf s ARG 51 Cb -0.11 -2.18 0.76 0.00 0.00 0.00 0.00 34.95 33.42 1iyf s ARG 51 CO 0.05 -0.32 1.56 0.27 0.00 0.00 0.00 175.30 176.85 1iyf n ASN 52 N 4.76 -0.12 0.00 0.23 6.94 -1.26 -1.26 115.26 124.55 1iyf n ASN 52 Ca -0.15 1.69 0.00 0.00 -0.02 0.00 0.00 54.58 56.09 1iyf n ASN 52 Cb 0.49 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 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 -5.49 1.66 -0.07 0.53 9.92 -1.26 -4.26 116.55 117.57 1iyf n ASP 53 Ca 0.23 -0.30 -0.08 0.00 -0.53 0.00 0.00 54.79 54.11 1iyf n ASP 53 Cb 0.76 0.93 -0.15 0.00 -0.64 0.00 0.00 41.12 42.02 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 -1.10 0.24 -0.03 1.24 -0.00 -1.09 -2.63 117.44 114.07 1iyf n TRP 54 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 1iyf n TRP 54 Cb 0.00 -1.01 -0.09 0.00 -0.00 0.00 0.00 31.31 30.21 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 -2.78 0.41 0.00 5.87 -1.04 -0.39 -4.25 114.28 112.10 1iyf n THR 55 Ca -0.27 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1iyf n THR 55 Cb 1.09 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 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 -2.19 0.00 0.06 12.58 0.24 -0.83 -4.53 118.33 123.66 1iyf n VAL 56 Ca -0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 1iyf n VAL 56 Cb 0.61 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1iyf n VAL 56 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 1iyf h GLN 57 N 0.00 0.38 0.00 7.34 3.07 -1.89 -1.76 115.11 122.25 1iyf h GLN 57 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 58.65 58.39 1iyf h GLN 57 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1iyf h GLN 57 CO 0.00 1.01 0.00 0.09 0.09 0.00 0.00 178.83 180.02 1iyf n ASN 58 N -3.79 0.00 0.00 0.06 4.13 -1.26 -3.63 115.26 110.77 1iyf n ASN 58 Ca -0.05 -0.65 0.00 0.00 1.68 0.00 0.00 54.58 55.56 1iyf n ASN 58 Cb 0.75 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.99 1iyf n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1iyf n ASP 60 N -1.55 -2.28 -4.50 0.00 2.03 -0.96 -4.96 116.55 104.32 1iyf n ASP 60 Ca 0.00 -2.11 -0.28 0.00 0.52 0.00 0.00 54.79 52.92 1iyf n ASP 60 Cb 0.00 1.23 -0.11 0.00 -0.72 0.00 0.00 41.12 41.52 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 0.45 2.75 0.49 -2.67 2.01 -1.25 -4.96 118.68 115.50 1iyf s LEU 61 Ca 0.27 -0.60 0.02 0.00 0.01 0.00 0.00 54.13 53.84 1iyf s LEU 61 Cb 0.12 -1.54 -0.02 0.00 0.01 0.00 0.00 46.19 44.76 1iyf s LEU 61 CO -0.11 0.15 0.01 -0.62 1.01 0.00 0.00 176.35 176.79 1iyf s ASP 62 N -2.38 4.06 0.31 2.29 -1.08 -1.26 -4.99 116.67 113.61 1iyf s ASP 62 Ca 0.20 -1.62 0.00 0.00 -0.52 0.00 0.00 52.55 50.62 1iyf s ASP 62 Cb -0.10 0.39 0.52 0.00 -1.46 0.00 0.00 42.92 42.27 1iyf s ASP 62 CO 0.11 -0.80 1.93 1.56 0.52 0.00 0.00 175.17 178.50 1iyf h GLN 63 N 1.42 1.01 -3.35 4.34 4.20 -2.01 -3.25 115.11 117.47 1iyf h GLN 63 Ca -0.44 -0.06 -0.67 0.00 0.06 0.00 0.00 58.65 57.55 1iyf h GLN 63 Cb 1.30 -0.23 -0.38 0.00 0.30 0.00 0.00 27.48 28.47 1iyf h GLN 63 CO 0.75 0.67 -0.42 -0.65 -0.67 0.00 0.00 178.83 178.50 1iyf s GLN 64 N -5.89 2.56 0.35 1.46 -0.21 -1.25 -1.17 119.66 115.50 1iyf s GLN 64 Ca -0.11 -2.92 0.07 0.00 0.02 0.00 0.00 55.36 52.41 1iyf s GLN 64 Cb 0.19 -3.61 -0.01 0.00 1.00 0.00 0.00 33.01 30.58 1iyf s GLN 64 CO 0.79 -1.21 0.42 -1.54 -2.12 0.00 0.00 175.29 171.63 1iyf s SER 65 N -0.27 5.68 -0.12 5.90 1.04 -0.86 -5.00 113.70 120.08 1iyf s SER 65 Ca 0.21 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.31 1iyf s SER 65 Cb -0.15 -1.07 0.02 0.00 0.10 0.00 0.00 66.02 64.92 1iyf s SER 65 CO -0.08 -0.44 -0.10 0.27 0.98 0.00 0.00 173.24 173.87 1iyf s ILE 66 N -2.24 1.21 -0.06 -1.02 -0.00 -1.26 -1.56 121.20 116.26 1iyf s ILE 66 Ca 0.45 -0.41 0.05 0.00 -0.00 0.00 0.00 60.65 60.73 1iyf s ILE 66 Cb -0.08 -1.19 -0.02 0.00 -0.00 0.00 0.00 42.46 41.18 1iyf s ILE 66 CO 0.30 0.40 -0.21 -0.69 -0.00 0.00 0.00 174.94 174.73 1iyf s VAL 67 N 1.58 2.41 -0.51 8.37 1.01 -0.84 -3.52 120.40 128.88 1iyf s VAL 67 Ca 0.04 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 1iyf s VAL 67 Cb -0.13 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.39 1iyf s VAL 67 CO -0.08 0.57 0.74 -2.28 0.00 0.00 0.00 175.10 174.04 1iyf s HIS 68 N -0.25 2.96 0.00 5.22 2.46 0.51 -2.08 115.29 124.12 1iyf s HIS 68 Ca -0.00 -0.29 0.01 0.00 0.47 0.00 0.00 55.06 55.24 1iyf s HIS 68 Cb -0.13 -3.70 -0.04 0.00 -0.13 0.00 0.00 32.58 28.58 1iyf s HIS 68 CO 0.03 -1.12 0.03 0.42 -2.47 0.00 0.00 174.74 171.63 1iyf s ILE 69 N 3.11 4.36 -0.47 0.89 1.09 0.29 0.14 121.20 130.61 1iyf s ILE 69 Ca 0.21 -0.55 0.07 0.00 -1.10 0.00 0.00 60.65 59.28 1iyf s ILE 69 Cb -0.16 -2.97 0.23 0.00 -1.06 0.00 0.00 42.46 38.50 1iyf s ILE 69 CO 0.15 0.35 0.54 0.52 -0.10 0.00 0.00 174.94 176.41 1iyf n VAL 70 N 1.27 0.10 -3.40 2.92 0.31 0.12 -3.42 118.33 116.23 1iyf n VAL 70 Ca -0.14 -4.26 -0.29 0.00 -0.01 0.00 0.00 64.34 59.64 1iyf n VAL 70 Cb 0.53 -1.96 -0.07 0.00 -0.91 0.00 0.00 33.84 31.43 1iyf n VAL 70 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1iyf n GLN 71 N 1.55 2.75 -4.17 5.55 -0.06 -1.21 0.10 117.38 121.88 1iyf n GLN 71 Ca 0.24 -4.65 -0.16 0.00 -2.00 0.00 0.00 57.00 50.43 1iyf n GLN 71 Cb 0.48 -2.29 -0.15 0.00 -4.06 0.00 0.00 30.24 24.22 1iyf n GLN 71 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1iyf s ARG 72 N -2.46 0.48 0.89 3.69 0.52 -1.26 -4.44 118.95 116.37 1iyf s ARG 72 Ca 0.38 -0.18 -0.10 0.00 -0.52 0.00 0.00 55.73 55.30 1iyf s ARG 72 Cb 0.12 -0.48 0.13 0.00 0.52 0.00 0.00 34.95 35.25 1iyf s ARG 72 CO -0.01 0.09 1.12 -1.25 0.02 0.00 0.00 175.30 175.28 1iyf s PRO 73 N 0.00 1.21 -0.43 3.54 0.04 -1.26 -4.31 135.00 133.79 1iyf s PRO 73 Ca 0.00 1.36 -0.19 0.00 0.04 0.00 0.00 61.00 62.22 1iyf s PRO 73 Cb -0.04 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.76 1iyf s PRO 73 CO -0.00 -2.44 0.54 1.67 0.04 0.00 0.00 177.00 176.81 1iyf s TRP 74 N -2.72 3.12 -0.45 0.56 1.48 -1.26 -5.03 118.94 114.63 1iyf s TRP 74 Ca 0.65 -0.24 -0.21 0.00 -1.06 0.00 0.00 56.10 55.24 1iyf s TRP 74 Cb -0.21 -3.14 0.03 0.00 -1.16 0.00 0.00 33.47 28.99 1iyf s TRP 74 CO 0.58 -0.80 0.69 0.50 -4.06 0.00 0.00 176.95 173.86 1iyf s ARG 75 N 2.47 3.29 0.00 3.25 3.52 -1.26 -5.27 118.95 124.95 1iyf s ARG 75 Ca 0.17 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 1iyf s ARG 75 Cb -0.16 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 1iyf s ARG 75 CO 0.16 -1.08 0.35 1.63 -0.81 0.00 0.00 175.30 175.55