#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 0.30 0.04 2.02 -4.36 -1.01 0.19 121.20 118.39 1iyf s ILE 2 Ca 0.00 0.09 -0.00 0.00 -0.26 0.00 0.00 60.65 60.48 1iyf s ILE 2 Cb 0.00 -0.43 -0.03 0.00 1.25 0.00 0.00 42.46 43.25 1iyf s ILE 2 CO 0.00 0.21 -0.03 -0.69 0.24 0.00 0.00 174.94 174.67 1iyf s VAL 3 N 1.51 0.23 0.00 8.37 1.01 0.47 -1.83 120.40 130.17 1iyf s VAL 3 Ca -0.02 -1.50 -0.19 0.00 0.00 0.00 0.00 61.98 60.26 1iyf s VAL 3 Cb -0.13 -1.09 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 1iyf s VAL 3 CO -0.03 -0.81 0.55 -0.36 0.00 0.00 0.00 175.10 174.45 1iyf s PHE 4 N -3.01 3.70 -0.29 5.22 0.40 -0.09 0.43 117.98 124.34 1iyf s PHE 4 Ca -0.01 1.15 -0.10 0.00 -0.60 0.00 0.00 56.93 57.37 1iyf s PHE 4 Cb 0.01 -2.53 -0.04 0.00 0.51 0.00 0.00 43.02 40.98 1iyf s PHE 4 CO -0.06 0.43 0.17 0.14 0.70 0.00 0.00 175.22 176.59 1iyf s VAL 5 N -0.44 5.00 -0.15 -0.44 -7.23 -0.02 -1.93 120.40 115.19 1iyf s VAL 5 Ca 0.29 -0.04 -0.04 0.00 -1.81 0.00 0.00 61.98 60.38 1iyf s VAL 5 Cb -0.18 -3.42 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 1iyf s VAL 5 CO 0.16 0.21 -0.02 -0.13 -0.31 0.00 0.00 175.10 175.01 1iyf s ARG 6 N 1.70 3.67 0.31 4.82 3.00 -1.01 -1.38 118.95 130.06 1iyf s ARG 6 Ca 0.06 -0.48 0.09 0.00 0.00 0.00 0.00 55.73 55.41 1iyf s ARG 6 Cb -0.16 -2.95 -0.05 0.00 0.00 0.00 0.00 34.95 31.79 1iyf s ARG 6 CO 0.09 0.29 0.02 -0.59 0.00 0.00 0.00 175.30 175.10 1iyf s PHE 7 N 0.25 2.62 -0.04 -0.53 -0.71 -1.22 0.93 117.98 119.28 1iyf s PHE 7 Ca -0.01 -0.33 -0.28 0.00 -1.04 0.00 0.00 56.93 55.26 1iyf s PHE 7 Cb -0.14 -1.36 -0.34 0.00 -1.21 0.00 0.00 43.02 39.97 1iyf s PHE 7 CO 0.02 0.53 1.53 0.27 -1.34 0.00 0.00 175.22 176.23 1iyf n ASN 8 N -0.95 0.85 -3.59 1.98 6.94 -1.23 -4.55 115.26 114.72 1iyf n ASN 8 Ca -0.05 -2.35 -0.05 0.00 -0.02 0.00 0.00 54.58 52.12 1iyf n ASN 8 Cb 0.61 -0.51 -0.02 0.00 -2.36 0.00 0.00 39.78 37.50 1iyf n ASN 8 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1iyf s SER 9 N 6.74 -0.21 -1.34 0.53 0.01 -1.26 -5.06 113.70 113.12 1iyf s SER 9 Ca 0.64 -0.07 -0.12 0.00 1.31 0.00 0.00 55.95 57.72 1iyf s SER 9 Cb 0.13 0.27 0.12 0.00 0.21 0.00 0.00 66.02 66.75 1iyf s SER 9 CO 0.32 -0.46 1.96 -0.24 0.41 0.00 0.00 173.24 175.23 1iyf n SER 10 N -0.25 4.69 -3.64 2.44 2.88 -1.26 -4.83 113.62 113.65 1iyf n SER 10 Ca -0.05 -3.01 -0.08 0.00 -1.33 0.00 0.00 58.87 54.41 1iyf n SER 10 Cb 0.60 -1.56 -0.07 0.00 -0.75 0.00 0.00 64.21 62.44 1iyf n SER 10 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1iyf s HIS 11 N 1.55 -1.00 0.11 0.66 5.04 -1.26 -5.14 115.29 115.24 1iyf s HIS 11 Ca 0.43 2.06 0.08 0.00 -1.54 0.00 0.00 55.06 56.09 1iyf s HIS 11 Cb 0.10 0.57 -0.04 0.00 0.04 0.00 0.00 32.58 33.26 1iyf s HIS 11 CO -0.02 -0.50 -0.20 0.20 -2.34 0.00 0.00 174.74 171.88 1iyf s GLY 12 N 1.43 1.23 -0.18 1.59 0.00 -1.26 -3.78 107.32 106.34 1iyf s GLY 12 Ca -0.08 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.38 1iyf s GLY 12 CO -0.17 -1.28 -0.11 -0.12 0.00 0.00 0.00 173.10 171.43 1iyf s PHE 13 N -1.32 2.31 -0.15 1.90 5.36 -0.48 -4.87 117.98 120.74 1iyf s PHE 13 Ca 0.07 -1.47 -0.29 0.00 -0.96 0.00 0.00 56.93 54.28 1iyf s PHE 13 Cb -0.09 -1.61 -0.05 0.00 -0.34 0.00 0.00 43.02 40.93 1iyf s PHE 13 CO 0.04 -0.72 1.82 -2.14 -1.46 0.00 0.00 175.22 172.76 1iyf s PRO 14 N 1.43 3.78 0.07 10.12 0.02 -1.26 -0.84 135.00 148.33 1iyf s PRO 14 Ca 0.01 2.00 0.09 0.00 0.02 0.00 0.00 61.00 63.12 1iyf s PRO 14 Cb -0.15 -4.12 -0.03 0.00 0.02 0.00 0.00 34.50 30.21 1iyf s PRO 14 CO -0.09 -1.33 -0.25 0.14 -0.33 0.00 0.00 177.00 175.14 1iyf s VAL 15 N 5.52 2.01 -1.20 3.83 -7.23 0.17 -4.96 120.40 118.54 1iyf s VAL 15 Ca 0.81 -1.46 -0.17 0.00 -1.81 0.00 0.00 61.98 59.36 1iyf s VAL 15 Cb -0.31 -1.75 0.12 0.00 0.56 0.00 0.00 36.38 34.99 1iyf s VAL 15 CO 0.33 0.21 1.53 -0.70 -0.31 0.00 0.00 175.10 176.17 1iyf s GLU 16 N -1.50 3.96 0.00 4.82 2.12 -1.26 0.18 118.70 127.01 1iyf s GLU 16 Ca 0.11 -2.14 0.00 0.00 0.36 0.00 0.00 54.97 53.30 1iyf s GLU 16 Cb -0.10 -5.27 0.00 0.00 0.26 0.00 0.00 34.13 29.02 1iyf s GLU 16 CO 0.03 -2.01 0.00 1.33 -0.54 0.00 0.00 175.26 174.07 1iyf n VAL 17 N 5.63 0.00 -3.90 3.70 0.24 0.52 -4.74 118.33 119.77 1iyf n VAL 17 Ca 0.40 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.35 1iyf n VAL 17 Cb 0.45 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.69 1iyf n VAL 17 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1iyf s ASP 18 N -0.80 4.70 0.00 -1.34 1.01 -1.26 -1.33 116.67 117.64 1iyf s ASP 18 Ca 0.00 -1.01 0.14 0.00 0.71 0.00 0.00 52.55 52.39 1iyf s ASP 18 Cb 0.00 -1.72 0.45 0.00 1.01 0.00 0.00 42.92 42.66 1iyf s ASP 18 CO 0.00 -0.20 1.35 -0.24 0.21 0.00 0.00 175.17 176.30 1iyf n SER 19 N 4.69 1.92 0.00 0.27 2.88 -1.26 -3.98 113.62 118.14 1iyf n SER 19 Ca -0.15 -1.92 0.00 0.00 -1.33 0.00 0.00 58.87 55.48 1iyf n SER 19 Cb 0.46 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1iyf n SER 19 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1iyf n ASP 20 N 0.53 4.06 -3.85 -3.46 5.68 -1.26 -4.72 116.55 113.52 1iyf n ASP 20 Ca 0.14 -0.04 -0.16 0.00 -0.50 0.00 0.00 54.79 54.22 1iyf n ASP 20 Cb 0.32 0.90 0.01 0.00 -1.14 0.00 0.00 41.12 41.21 1iyf n ASP 20 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1iyf n THR 21 N -1.30 0.00 -1.13 2.12 5.66 -1.26 -3.03 114.28 115.35 1iyf n THR 21 Ca 0.00 -0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.62 1iyf n THR 21 Cb 0.00 -0.01 0.03 0.00 -1.55 0.00 0.00 70.33 68.80 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 3.12 -4.78 -0.33 1.09 2.88 -1.26 -4.11 113.62 110.23 1iyf n SER 22 Ca -0.01 0.43 0.20 0.00 -1.33 0.00 0.00 58.87 58.16 1iyf n SER 22 Cb 0.31 -0.81 0.42 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.49 0.33 -0.11 2.46 2.10 -1.85 0.65 117.51 120.60 1iyf h ILE 23 Ca -0.43 -0.11 -0.01 0.00 1.08 0.00 0.00 64.86 65.40 1iyf h ILE 23 Cb 1.38 -0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 37.08 1iyf h ILE 23 CO 0.33 0.06 0.04 -0.26 -1.08 0.00 0.00 178.15 177.24 1iyf h PHE 24 N 0.33 0.16 0.00 2.19 -1.00 -1.94 -2.41 116.94 114.27 1iyf h PHE 24 Ca 0.68 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.45 1iyf h PHE 24 Cb 1.47 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.98 1iyf h PHE 24 CO -0.07 0.26 0.00 1.04 -1.61 0.00 0.00 178.31 177.93 1iyf n GLN 25 N -4.91 0.00 -0.05 1.51 1.13 0.19 -1.80 117.38 113.44 1iyf n GLN 25 Ca -0.05 0.46 -0.10 0.00 -1.94 0.00 0.00 57.00 55.37 1iyf n GLN 25 Cb 0.11 -1.43 -0.03 0.00 0.11 0.00 0.00 30.24 29.00 1iyf n GLN 25 CO 0.00 0.00 0.00 1.37 -1.44 0.00 0.00 177.06 176.99 1iyf h LEU 26 N 0.00 -1.09 -1.00 1.08 8.10 -1.60 0.11 115.31 120.91 1iyf h LEU 26 Ca 0.00 0.17 0.35 0.00 0.11 0.00 0.00 57.88 58.51 1iyf h LEU 26 Cb 0.00 0.48 -0.16 0.00 -0.44 0.00 0.00 40.66 40.54 1iyf h LEU 26 CO 0.00 -0.35 0.54 0.07 -4.11 0.00 0.00 178.44 174.59 1iyf h LYS 27 N -0.34 0.21 0.58 0.17 2.10 -1.50 -0.49 116.57 117.30 1iyf h LYS 27 Ca 0.13 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.73 1iyf h LYS 27 Cb 0.55 -0.05 0.01 0.00 -0.90 0.00 0.00 32.23 31.84 1iyf h LYS 27 CO -0.44 0.14 -0.28 1.49 -2.00 0.00 0.00 179.45 178.36 1iyf h GLU 28 N 0.22 -0.75 -0.40 0.07 4.81 0.00 -1.01 114.58 117.52 1iyf h GLU 28 Ca 0.76 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 60.12 1iyf h GLU 28 Cb 1.82 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 31.27 1iyf h GLU 28 CO -0.66 -0.50 -0.27 0.28 -0.73 0.00 0.00 179.01 177.13 1iyf h VAL 29 N -1.07 0.31 0.00 0.32 2.07 -0.56 0.53 116.25 117.85 1iyf h VAL 29 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1iyf h VAL 29 Cb 0.60 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1iyf h VAL 29 CO 0.13 0.00 0.00 0.55 0.02 0.00 0.00 177.57 178.27 1iyf n VAL 30 N -5.40 0.00 -0.36 2.57 3.14 -0.30 -1.86 118.33 116.11 1iyf n VAL 30 Ca 0.02 1.17 0.06 0.00 -2.96 0.00 0.00 64.34 62.63 1iyf n VAL 30 Cb 0.32 -2.12 0.22 0.00 -1.06 0.00 0.00 33.84 31.20 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 1.47 -0.27 1.55 0.00 -1.20 2.37 119.26 121.17 1iyf h ALA 31 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1iyf h ALA 31 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1iyf h ALA 31 CO 0.00 0.24 0.14 -0.22 0.00 0.00 0.00 179.25 179.41 1iyf h LYS 32 N 1.00 0.39 0.00 0.00 3.64 0.31 0.29 116.57 122.20 1iyf h LYS 32 Ca 0.48 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1iyf h LYS 32 Cb 0.44 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1iyf h LYS 32 CO -0.25 0.36 -0.08 0.54 -2.27 0.00 0.00 179.45 177.74 1iyf n ARG 33 N -4.82 0.12 0.00 1.90 1.74 -0.69 -3.09 116.66 111.82 1iyf n ARG 33 Ca -0.02 0.09 0.15 0.00 -0.77 0.00 0.00 57.85 57.29 1iyf n ARG 33 Cb 0.09 -1.63 0.69 0.00 -1.02 0.00 0.00 32.46 30.59 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 -1.83 1.15 -2.73 5.56 -0.06 0.79 -4.89 117.38 115.36 1iyf n GLN 34 Ca 0.06 -0.43 -0.15 0.00 -2.00 0.00 0.00 57.00 54.49 1iyf n GLN 34 Cb 0.38 -1.49 0.02 0.00 -4.06 0.00 0.00 30.24 25.09 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 -0.11 0.95 1.69 0.00 -0.91 -4.97 105.19 102.98 1iyf n GLY 35 Ca 0.19 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.08 0.00 0.00 1.61 0.24 0.01 -5.06 118.33 111.04 1iyf n VAL 36 Ca -0.08 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1iyf n VAL 36 Cb 0.58 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 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 -0.19 3.23 0.00 7.34 -0.04 -1.26 -3.97 135.00 140.11 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 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 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 1.36 -1.71 0.55 0.00 -1.26 -2.65 120.51 113.79 1iyf n ALA 38 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 1iyf n ALA 38 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1iyf n ALA 38 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iyf n ASP 39 N -1.88 5.14 -0.05 0.00 2.03 -1.26 -4.12 116.55 116.42 1iyf n ASP 39 Ca 0.00 -3.77 -0.02 0.00 0.52 0.00 0.00 54.79 51.52 1iyf n ASP 39 Cb 0.00 -0.58 -0.02 0.00 -0.72 0.00 0.00 41.12 39.81 1iyf n ASP 39 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1iyf h GLN 40 N 1.87 -0.03 0.00 -0.67 5.75 -1.91 -3.43 115.11 116.70 1iyf h GLN 40 Ca 0.40 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.91 1iyf h GLN 40 Cb 1.37 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.92 1iyf h GLN 40 CO 0.91 -0.02 0.00 -0.11 -2.65 0.00 0.00 178.83 176.96 1iyf n LEU 41 N -3.24 0.00 -4.40 -2.39 7.94 -1.25 -4.86 117.00 108.80 1iyf n LEU 41 Ca -0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 1iyf n LEU 41 Cb 0.04 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.86 1iyf n LEU 41 CO -0.01 0.00 -0.43 -0.13 -1.11 0.00 0.00 177.39 175.70 1iyf s ARG 42 N 2.74 3.40 -0.14 1.96 0.52 0.79 -4.70 118.95 123.51 1iyf s ARG 42 Ca 0.00 -0.66 -0.05 0.00 -0.52 0.00 0.00 55.73 54.51 1iyf s ARG 42 Cb 0.00 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 1iyf s ARG 42 CO 0.00 0.24 0.02 0.08 0.02 0.00 0.00 175.30 175.66 1iyf s VAL 43 N 0.30 4.46 0.09 3.52 1.01 -1.25 -0.44 120.40 128.09 1iyf s VAL 43 Ca -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1iyf s VAL 43 Cb -0.15 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1iyf s VAL 43 CO 0.05 0.53 0.02 -0.63 0.00 0.00 0.00 175.10 175.07 1iyf s ILE 44 N -0.13 0.16 -0.40 2.22 1.01 0.14 -0.66 121.20 123.54 1iyf s ILE 44 Ca 0.05 -1.85 0.01 0.00 0.00 0.00 0.00 60.65 58.86 1iyf s ILE 44 Cb -0.12 -1.79 0.14 0.00 0.01 0.00 0.00 42.46 40.70 1iyf s ILE 44 CO 0.02 -0.72 0.24 0.12 0.00 0.00 0.00 174.94 174.60 1iyf s PHE 45 N -3.98 1.31 -0.24 3.97 5.36 0.44 0.85 117.98 125.68 1iyf s PHE 45 Ca 0.16 -2.05 -0.00 0.00 -0.96 0.00 0.00 56.93 54.08 1iyf s PHE 45 Cb 0.08 -1.33 0.00 0.00 -0.34 0.00 0.00 43.02 41.43 1iyf s PHE 45 CO -0.04 -0.80 0.03 0.00 -1.46 0.00 0.00 175.22 172.95 1iyf n ALA 46 N 3.66 -0.10 0.00 11.12 0.00 -1.26 -3.46 120.51 130.47 1iyf n ALA 46 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1iyf n ALA 46 Cb 0.37 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.95 3.39 3.60 0.00 0.00 -1.26 -5.04 105.19 104.93 1iyf n GLY 47 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.79 3.87 0.16 1.61 -2.85 -1.22 -5.03 119.74 115.49 1iyf s LYS 48 Ca 0.00 0.27 -0.30 0.00 -1.00 0.00 0.00 55.97 54.94 1iyf s LYS 48 Cb 0.00 -3.74 -0.08 0.00 -2.06 0.00 0.00 37.83 31.95 1iyf s LYS 48 CO 0.00 -0.59 1.25 -2.00 0.10 0.00 0.00 175.35 174.11 1iyf s GLU 49 N 2.62 4.43 0.00 1.78 2.12 -1.26 -0.42 118.70 127.97 1iyf s GLU 49 Ca 0.25 1.94 0.00 0.00 0.36 0.00 0.00 54.97 57.52 1iyf s GLU 49 Cb -0.15 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.00 1iyf s GLU 49 CO 0.12 -0.20 0.00 1.47 -0.54 0.00 0.00 175.26 176.11 1iyf n LEU 50 N 2.91 0.00 -4.28 2.70 -0.00 0.17 -4.71 117.00 113.79 1iyf n LEU 50 Ca 0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.72 1iyf n LEU 50 Cb 0.44 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.72 1iyf n LEU 50 CO 0.57 0.00 -0.39 -0.13 -0.00 0.00 0.00 177.39 177.44 1iyf s ARG 51 N 0.00 3.23 0.32 1.47 1.81 -1.26 -3.96 118.95 120.56 1iyf s ARG 51 Ca 0.00 -0.72 0.09 0.00 -1.72 0.00 0.00 55.73 53.38 1iyf s ARG 51 Cb 0.00 -3.00 0.85 0.00 -0.45 0.00 0.00 34.95 32.35 1iyf s ARG 51 CO 0.00 -0.25 1.75 -0.97 -0.68 0.00 0.00 175.30 175.14 1iyf h ASN 52 N 8.09 0.70 0.00 0.23 -0.00 -1.83 0.18 115.58 122.96 1iyf h ASN 52 Ca -0.40 0.12 0.00 0.00 -0.00 0.00 0.00 56.30 56.03 1iyf h ASN 52 Cb 1.15 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.47 1iyf h ASN 52 CO 0.60 0.16 -0.60 0.47 -0.00 0.00 0.00 177.43 178.06 1iyf n ASP 53 N -4.84 2.33 -0.09 1.15 8.00 -1.26 -4.41 116.55 117.43 1iyf n ASP 53 Ca 0.26 -0.27 -0.09 0.00 0.71 0.00 0.00 54.79 55.39 1iyf n ASP 53 Cb 0.70 1.05 -0.14 0.00 -0.02 0.00 0.00 41.12 42.70 1iyf n ASP 53 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1iyf n TRP 54 N -1.31 0.00 -0.05 1.24 8.01 -1.17 -3.94 117.44 120.22 1iyf n TRP 54 Ca -0.00 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.14 1iyf n TRP 54 Cb 0.04 -0.91 -0.08 0.00 -2.01 0.00 0.00 31.31 28.35 1iyf n TRP 54 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.69 179.09 1iyf n THR 55 N -2.70 0.71 0.00 -0.99 -1.04 0.07 -4.38 114.28 105.95 1iyf n THR 55 Ca -0.30 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.27 1iyf n THR 55 Cb 1.10 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 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 -2.39 0.00 -0.07 12.58 0.24 0.42 -4.54 118.33 124.57 1iyf n VAL 56 Ca -0.17 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 61.91 1iyf n VAL 56 Cb 0.83 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 33.08 1iyf n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1iyf n GLN 57 N 0.00 0.66 0.21 7.34 10.64 -1.26 -3.78 117.38 131.18 1iyf n GLN 57 Ca 0.00 0.34 0.14 0.00 -1.83 0.00 0.00 57.00 55.65 1iyf n GLN 57 Cb 0.00 -1.67 0.74 0.00 -0.86 0.00 0.00 30.24 28.46 1iyf n GLN 57 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1iyf h ASN 58 N -0.41 0.00 0.00 2.61 2.35 -1.88 -1.93 115.58 116.32 1iyf h ASN 58 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1iyf h ASN 58 Cb 1.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.11 1iyf h ASN 58 CO -0.10 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.68 1iyf n ASP 60 N -1.68 -2.49 -4.34 0.00 2.03 -1.06 -4.96 116.55 104.06 1iyf n ASP 60 Ca 0.00 -2.44 -0.18 0.00 0.52 0.00 0.00 54.79 52.69 1iyf n ASP 60 Cb 0.00 1.38 -0.10 0.00 -0.72 0.00 0.00 41.12 41.68 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 0.21 2.15 0.00 -2.67 1.02 -0.75 -5.00 118.68 113.64 1iyf s LEU 61 Ca 0.29 -1.24 0.00 0.00 0.02 0.00 0.00 54.13 53.19 1iyf s LEU 61 Cb 0.14 -0.27 0.00 0.00 0.02 0.00 0.00 46.19 46.08 1iyf s LEU 61 CO -0.13 -0.53 0.02 0.47 0.02 0.00 0.00 176.35 176.20 1iyf n ASP 62 N -0.45 2.38 0.18 2.29 9.92 -1.26 -4.97 116.55 124.64 1iyf n ASP 62 Ca -0.04 -1.79 0.04 0.00 -0.53 0.00 0.00 54.79 52.47 1iyf n ASP 62 Cb 0.64 0.11 0.47 0.00 -0.64 0.00 0.00 41.12 41.70 1iyf n ASP 62 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1iyf h GLN 63 N 0.00 0.10 -3.84 -1.24 4.20 -2.02 -3.33 115.11 108.98 1iyf h GLN 63 Ca -0.15 -0.02 -0.63 0.00 0.06 0.00 0.00 58.65 57.91 1iyf h GLN 63 Cb 0.46 -0.02 -0.40 0.00 0.30 0.00 0.00 27.48 27.82 1iyf h GLN 63 CO 0.25 0.24 -0.70 -1.14 -0.67 0.00 0.00 178.83 176.81 1iyf s GLN 64 N -4.72 1.48 0.41 1.46 0.74 -1.26 -2.84 119.66 114.93 1iyf s GLN 64 Ca -0.05 -2.00 0.08 0.00 0.05 0.00 0.00 55.36 53.44 1iyf s GLN 64 Cb 0.16 -2.91 -0.00 0.00 1.10 0.00 0.00 33.01 31.36 1iyf s GLN 64 CO 0.71 -1.03 0.49 -1.54 -0.55 0.00 0.00 175.29 173.36 1iyf s SER 65 N 0.56 5.46 -0.08 6.67 1.04 -0.76 -4.99 113.70 121.61 1iyf s SER 65 Ca 0.14 -0.52 -0.00 0.00 0.48 0.00 0.00 55.95 56.05 1iyf s SER 65 Cb -0.22 -0.68 0.02 0.00 0.10 0.00 0.00 66.02 65.25 1iyf s SER 65 CO -0.07 -0.69 -0.05 0.27 0.98 0.00 0.00 173.24 173.68 1iyf s ILE 66 N -2.38 0.74 0.07 -1.02 -5.25 -1.26 -0.91 121.20 111.18 1iyf s ILE 66 Ca 0.52 -0.15 0.08 0.00 -0.99 0.00 0.00 60.65 60.10 1iyf s ILE 66 Cb -0.08 -0.79 -0.03 0.00 2.95 0.00 0.00 42.46 44.51 1iyf s ILE 66 CO 0.31 0.31 -0.18 -0.69 -1.79 0.00 0.00 174.94 172.89 1iyf s VAL 67 N 1.52 2.80 -0.44 8.37 1.01 -0.81 -4.49 120.40 128.36 1iyf s VAL 67 Ca -0.00 -1.29 -0.14 0.00 0.00 0.00 0.00 61.98 60.55 1iyf s VAL 67 Cb -0.13 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 34.09 1iyf s VAL 67 CO -0.04 0.26 0.33 -1.00 0.00 0.00 0.00 175.10 174.65 1iyf s HIS 68 N -0.99 3.25 -0.07 5.22 3.76 0.25 -2.41 115.29 124.30 1iyf s HIS 68 Ca 0.16 -0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 54.15 1iyf s HIS 68 Cb -0.11 -2.89 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 1iyf s HIS 68 CO 0.07 -0.72 0.06 0.42 -0.85 0.00 0.00 174.74 173.71 1iyf s ILE 69 N 1.62 4.72 -0.43 0.60 1.09 0.27 0.28 121.20 129.35 1iyf s ILE 69 Ca 0.04 -0.20 0.05 0.00 -1.10 0.00 0.00 60.65 59.44 1iyf s ILE 69 Cb -0.22 -3.06 0.19 0.00 -1.06 0.00 0.00 42.46 38.31 1iyf s ILE 69 CO 0.07 0.52 0.46 0.52 -0.10 0.00 0.00 174.94 176.41 1iyf n VAL 70 N 1.78 -0.89 -2.94 2.92 0.31 0.42 -3.43 118.33 116.49 1iyf n VAL 70 Ca -0.17 -3.06 -0.28 0.00 -0.01 0.00 0.00 64.34 60.82 1iyf n VAL 70 Cb 0.54 -1.15 -0.04 0.00 -0.91 0.00 0.00 33.84 32.27 1iyf n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1iyf n GLN 71 N 2.56 3.37 -5.20 5.55 -0.00 -1.23 0.28 117.38 122.70 1iyf n GLN 71 Ca 0.26 -4.85 -0.30 0.00 -0.00 0.00 0.00 57.00 52.11 1iyf n GLN 71 Cb 0.51 -2.26 -0.16 0.00 -0.00 0.00 0.00 30.24 28.33 1iyf n GLN 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 1iyf s ARG 72 N -3.49 1.99 0.74 2.61 1.04 -1.26 -3.86 118.95 116.71 1iyf s ARG 72 Ca 0.48 -0.91 -0.15 0.00 -1.04 0.00 0.00 55.73 54.10 1iyf s ARG 72 Cb 0.27 -1.94 0.04 0.00 -2.04 0.00 0.00 34.95 31.27 1iyf s ARG 72 CO -0.13 0.53 1.25 -1.25 -0.04 0.00 0.00 175.30 175.66 1iyf s PRO 73 N -0.66 2.03 -0.02 3.89 0.04 -1.26 -4.19 135.00 134.82 1iyf s PRO 73 Ca 0.10 1.92 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1iyf s PRO 73 Cb -0.10 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 1iyf s PRO 73 CO -0.01 -1.96 -0.19 -0.46 0.04 0.00 0.00 177.00 174.43 1iyf s TRP 74 N -1.78 1.76 -0.14 0.56 -0.11 -1.26 -5.06 118.94 112.90 1iyf s TRP 74 Ca 0.78 -0.38 -0.05 0.00 1.22 0.00 0.00 56.10 57.66 1iyf s TRP 74 Cb -0.33 -1.15 -0.04 0.00 -1.50 0.00 0.00 33.47 30.46 1iyf s TRP 74 CO 0.46 -0.07 0.03 1.03 -4.62 0.00 0.00 176.95 173.78 1iyf s ARG 75 N -0.32 3.59 0.00 5.86 1.81 -1.26 -5.23 118.95 123.40 1iyf s ARG 75 Ca 0.04 -0.38 0.07 0.00 -1.72 0.00 0.00 55.73 53.75 1iyf s ARG 75 Cb -0.09 -3.03 0.44 0.00 -0.45 0.00 0.00 34.95 31.83 1iyf s ARG 75 CO 0.00 0.43 0.90 0.36 -0.68 0.00 0.00 175.30 176.32