#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9b h THR 4 N 0.00 1.19 -3.54 4.28 2.02 -2.10 -3.44 112.91 111.31 1y9b h THR 4 Ca 0.00 -0.49 -0.50 0.00 0.77 0.00 0.00 66.41 66.19 1y9b h THR 4 Cb 0.00 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1y9b h THR 4 CO 0.00 0.20 0.04 -0.76 0.37 0.00 0.00 175.52 175.37 1y9b s LEU 5 N -9.94 3.89 0.27 2.58 1.43 -1.26 -5.03 118.68 110.62 1y9b s LEU 5 Ca -0.13 0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 1y9b s LEU 5 Cb 0.12 -3.86 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 1y9b s LEU 5 CO 0.76 -0.35 1.48 -2.84 0.23 0.00 0.00 176.35 175.64 1y9b s PRO 6 N -3.81 4.22 0.58 1.29 0.02 -1.26 -4.95 135.00 131.09 1y9b s PRO 6 Ca 0.49 2.39 -0.19 0.00 0.02 0.00 0.00 61.00 63.70 1y9b s PRO 6 Cb -0.10 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 1y9b s PRO 6 CO 0.32 -0.48 1.20 1.03 -0.33 0.00 0.00 177.00 178.74 1y9b s ARG 7 N -0.49 3.06 0.27 5.54 0.52 -1.26 -5.00 118.95 121.59 1y9b s ARG 7 Ca 0.60 1.81 -0.29 0.00 -0.52 0.00 0.00 55.73 57.32 1y9b s ARG 7 Cb -0.44 -1.97 -0.10 0.00 0.52 0.00 0.00 34.95 32.97 1y9b s ARG 7 CO 0.45 -1.13 1.21 0.42 0.02 0.00 0.00 175.30 176.27 1y9b s ILE 8 N -1.60 3.20 -0.26 1.52 1.01 -1.26 -5.04 121.20 118.76 1y9b s ILE 8 Ca 0.76 1.14 -0.14 0.00 0.00 0.00 0.00 60.65 62.41 1y9b s ILE 8 Cb -0.30 -3.73 0.08 0.00 0.01 0.00 0.00 42.46 38.53 1y9b s ILE 8 CO 0.33 0.25 0.63 0.28 0.00 0.00 0.00 174.94 176.42 1y9b s THR 9 N -0.83 -0.14 -0.00 2.92 -1.32 -1.26 -5.17 115.64 109.84 1y9b s THR 9 Ca 0.49 0.02 -0.05 0.00 -1.21 0.00 0.00 61.69 60.93 1y9b s THR 9 Cb -0.35 -0.92 -0.00 0.00 -1.51 0.00 0.00 72.50 69.71 1y9b s THR 9 CO 0.44 0.01 0.10 0.00 -2.21 0.00 0.00 174.62 172.96 1y9b s ALA 10 N 1.77 -0.24 0.18 11.08 0.00 -1.26 -5.15 121.76 128.14 1y9b s ALA 10 Ca -0.09 -0.13 -0.25 0.00 0.00 0.00 0.00 51.96 51.49 1y9b s ALA 10 Cb -0.07 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.03 1y9b s ALA 10 CO -0.18 -0.17 0.79 -0.98 0.00 0.00 0.00 175.76 175.22 1y9b s ARG 11 N -1.12 4.58 0.10 0.00 1.70 -1.26 -5.08 118.95 117.86 1y9b s ARG 11 Ca -0.12 1.18 0.10 0.00 -0.47 0.00 0.00 55.73 56.41 1y9b s ARG 11 Cb -0.07 -3.24 -0.03 0.00 -0.57 0.00 0.00 34.95 31.04 1y9b s ARG 11 CO 0.01 0.55 -0.25 0.14 -1.08 0.00 0.00 175.30 174.67 1y9b s VAL 12 N -1.18 2.06 0.83 4.99 -7.23 -1.26 -5.12 120.40 113.49 1y9b s VAL 12 Ca 0.37 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.84 1y9b s VAL 12 Cb -0.23 -1.82 0.10 0.00 0.56 0.00 0.00 36.38 34.99 1y9b s VAL 12 CO 0.26 0.13 1.19 1.51 -0.31 0.00 0.00 175.10 177.89 1y9b s ASP 13 N -1.76 4.30 0.29 4.85 1.47 -1.26 -4.85 116.67 119.70 1y9b s ASP 13 Ca 0.11 0.68 -0.03 0.00 1.18 0.00 0.00 52.55 54.49 1y9b s ASP 13 Cb -0.10 -1.10 0.40 0.00 -0.34 0.00 0.00 42.92 41.77 1y9b s ASP 13 CO 0.04 -2.02 1.95 1.62 0.68 0.00 0.00 175.17 177.44 1y9b h VAL 14 N -1.12 1.22 -0.78 2.11 3.04 -2.01 -1.68 116.25 117.04 1y9b h VAL 14 Ca -0.46 -0.44 0.01 0.00 -1.01 0.00 0.00 66.70 64.80 1y9b h VAL 14 Cb 1.31 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 30.56 1y9b h VAL 14 CO 0.61 0.22 0.51 0.44 -1.01 0.00 0.00 177.57 178.34 1y9b h ASP 15 N 1.15 0.90 -0.13 3.17 5.19 -1.99 -0.95 116.42 123.76 1y9b h ASP 15 Ca 0.31 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.63 1y9b h ASP 15 Cb -0.10 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.18 1y9b h ASP 15 CO -0.06 0.66 -0.12 0.74 -3.12 0.00 0.00 179.24 177.34 1y9b h THR 16 N 1.06 1.34 -0.66 0.35 2.02 -1.82 -1.86 112.91 113.34 1y9b h THR 16 Ca 0.28 -1.25 0.10 0.00 0.77 0.00 0.00 66.41 66.31 1y9b h THR 16 Cb -0.11 1.87 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 1y9b h THR 16 CO -0.06 0.36 0.28 -0.61 0.37 0.00 0.00 175.52 175.87 1y9b h GLN 17 N -0.06 0.47 -0.22 6.66 4.15 -1.11 -0.31 115.11 124.68 1y9b h GLN 17 Ca 0.02 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 1y9b h GLN 17 Cb 0.63 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1y9b h GLN 17 CO 0.03 0.31 -0.47 -0.44 -1.93 0.00 0.00 178.83 176.33 1y9b h ASP 18 N 0.48 0.64 -0.26 -0.69 3.32 -1.15 0.17 116.42 118.93 1y9b h ASP 18 Ca 0.33 -0.31 0.05 0.00 0.02 0.00 0.00 57.03 57.11 1y9b h ASP 18 Cb 0.39 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1y9b h ASP 18 CO -0.30 1.01 -0.01 0.25 -1.72 0.00 0.00 179.24 178.47 1y9b h LEU 19 N 0.47 -0.13 -0.69 1.55 5.85 -0.88 0.21 115.31 121.70 1y9b h LEU 19 Ca 0.03 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 1y9b h LEU 19 Cb 1.00 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1y9b h LEU 19 CO 0.09 -0.03 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.57 1y9b h LEU 20 N 0.06 0.38 -0.10 2.25 3.38 -0.81 -1.23 115.31 119.25 1y9b h LEU 20 Ca 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1y9b h LEU 20 Cb 0.17 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1y9b h LEU 20 CO -0.22 0.84 -0.00 0.00 0.09 0.00 0.00 178.44 179.14 1y9b h ALA 21 N 1.17 0.14 -0.50 1.53 0.00 -0.51 0.21 119.26 121.30 1y9b h ALA 21 Ca 0.01 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1y9b h ALA 21 Cb 1.01 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1y9b h ALA 21 CO 0.09 -0.17 0.27 -0.22 0.00 0.00 0.00 179.25 179.22 1y9b h LYS 22 N -0.10 0.52 -0.68 0.00 3.64 -0.52 -1.72 116.57 117.70 1y9b h LYS 22 Ca 0.03 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1y9b h LYS 22 Cb 0.37 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1y9b h LYS 22 CO 0.01 0.34 0.18 0.00 -2.27 0.00 0.00 179.45 177.71 1y9b h ALA 23 N 1.25 1.03 -0.69 5.00 0.00 -1.20 -2.26 119.26 122.39 1y9b h ALA 23 Ca 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y9b h ALA 23 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1y9b h ALA 23 CO -0.12 0.64 0.41 0.00 0.00 0.00 0.00 179.25 180.18 1y9b h ALA 24 N 1.17 0.87 -0.11 0.00 0.00 -0.36 -0.93 119.26 119.90 1y9b h ALA 24 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1y9b h ALA 24 Cb 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1y9b h ALA 24 CO -0.00 0.35 0.05 0.00 0.00 0.00 0.00 179.25 179.64 1y9b h ALA 25 N 1.22 0.14 -0.34 0.00 0.00 -1.20 -2.45 119.26 116.62 1y9b h ALA 25 Ca 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1y9b h ALA 25 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1y9b h ALA 25 CO -0.05 -0.28 0.20 -0.07 0.00 0.00 0.00 179.25 179.05 1y9b h LEU 26 N 0.03 0.40 -0.42 0.00 3.38 -1.31 -0.86 115.31 116.53 1y9b h LEU 26 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1y9b h LEU 26 Cb 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1y9b h LEU 26 CO -0.00 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.84 1y9b n ALA 27 N -2.48 2.63 -2.06 1.53 0.00 -0.36 -5.10 120.51 114.66 1y9b n ALA 27 Ca 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.13 1y9b n ALA 27 Cb 0.08 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1y9b n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y9b n GLY 28 N 1.06 -1.44 0.00 0.00 0.00 -0.33 -5.06 105.19 99.41 1y9b n GLY 28 Ca 0.21 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1y9b n GLY 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y9b n SER 30 N -0.28 1.72 -4.19 1.61 3.41 -1.26 -5.01 113.62 109.63 1y9b n SER 30 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.50 1y9b n SER 30 Cb 0.16 0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 64.23 1y9b n SER 30 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y9b s SER 31 N -1.34 1.55 0.22 4.04 1.04 -1.26 -5.03 113.70 112.92 1y9b s SER 31 Ca 0.00 -0.82 -0.08 0.00 0.48 0.00 0.00 55.95 55.53 1y9b s SER 31 Cb 0.00 -0.00 0.18 0.00 0.10 0.00 0.00 66.02 66.29 1y9b s SER 31 CO 0.00 -0.25 1.82 0.40 0.98 0.00 0.00 173.24 176.19 1y9b h ILE 32 N 3.53 1.25 -0.37 -1.02 2.04 -1.96 -2.74 117.51 118.25 1y9b h ILE 32 Ca -0.38 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 1y9b h ILE 32 Cb 1.19 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1y9b h ILE 32 CO 0.53 0.30 -0.01 0.78 0.00 0.00 0.00 178.15 179.75 1y9b h ASN 33 N 1.18 0.56 -0.23 1.72 2.35 -1.97 0.13 115.58 119.32 1y9b h ASN 33 Ca 0.29 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1y9b h ASN 33 Cb 0.09 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1y9b h ASN 33 CO -0.04 0.64 0.08 0.28 -1.65 0.00 0.00 177.43 176.75 1y9b h SER 34 N 0.56 0.32 -0.22 5.81 0.02 -1.97 -2.21 113.55 115.87 1y9b h SER 34 Ca 0.12 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1y9b h SER 34 Cb 0.38 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1y9b h SER 34 CO 0.01 0.42 0.14 0.15 -1.14 0.00 0.00 176.83 176.41 1y9b h PHE 35 N 0.21 0.27 0.16 3.45 3.57 -1.07 -1.82 116.94 121.71 1y9b h PHE 35 Ca 0.08 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1y9b h PHE 35 Cb 0.20 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1y9b h PHE 35 CO -0.00 0.17 -0.18 0.28 -2.23 0.00 0.00 178.31 176.35 1y9b h VAL 36 N 0.29 0.61 -0.54 1.41 2.07 -0.79 0.29 116.25 119.59 1y9b h VAL 36 Ca 0.08 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 1y9b h VAL 36 Cb -0.03 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1y9b h VAL 36 CO -0.02 0.00 0.20 0.25 0.02 0.00 0.00 177.57 178.01 1y9b h LEU 37 N -0.37 0.76 -0.61 2.57 5.85 -1.35 0.27 115.31 122.43 1y9b h LEU 37 Ca 0.01 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 1y9b h LEU 37 Cb 0.36 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1y9b h LEU 37 CO -0.06 0.74 -0.08 -1.13 -0.34 0.00 0.00 178.44 177.57 1y9b h ASN 38 N 0.74 1.02 -0.33 1.25 -0.73 -1.24 -1.15 115.58 115.13 1y9b h ASN 38 Ca 0.18 -0.32 0.05 0.00 1.87 0.00 0.00 56.30 58.08 1y9b h ASN 38 Cb 0.23 -0.27 -0.05 0.00 0.27 0.00 0.00 38.32 38.50 1y9b h ASN 38 CO -0.01 1.11 0.03 0.00 -0.37 0.00 0.00 177.43 178.19 1y9b h ALA 39 N 0.98 0.33 -0.47 1.57 0.00 -0.25 -2.32 119.26 119.11 1y9b h ALA 39 Ca 0.15 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1y9b h ALA 39 Cb 0.63 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1y9b h ALA 39 CO 0.04 -0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.09 1y9b h ALA 40 N 1.27 0.61 -0.72 0.00 0.00 -0.80 -2.27 119.26 117.35 1y9b h ALA 40 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1y9b h ALA 40 Cb 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1y9b h ALA 40 CO -0.24 0.23 0.30 0.82 0.00 0.00 0.00 179.25 180.36 1y9b h ILE 41 N 0.61 1.25 -0.16 0.00 2.04 -1.17 -0.93 117.51 119.15 1y9b h ILE 41 Ca 0.15 -0.76 -0.17 0.00 1.00 0.00 0.00 64.86 65.09 1y9b h ILE 41 Cb 0.22 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1y9b h ILE 41 CO -0.01 0.31 -0.59 -0.33 0.00 0.00 0.00 178.15 177.53 1y9b h GLU 42 N 1.02 0.51 -0.35 2.37 4.39 -1.36 -2.15 114.58 119.02 1y9b h GLU 42 Ca 0.24 -0.34 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 1y9b h GLU 42 Cb 0.19 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1y9b h GLU 42 CO -0.02 0.95 -0.25 -0.22 -1.16 0.00 0.00 179.01 178.31 1y9b h LYS 43 N 0.38 0.70 -0.06 2.33 1.63 -1.36 -2.19 116.57 118.00 1y9b h LYS 43 Ca -0.00 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.51 1y9b h LYS 43 Cb 1.14 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1y9b h LYS 43 CO 0.11 0.88 0.02 0.00 -3.45 0.00 0.00 179.45 177.00 1y9b h ALA 44 N 1.12 0.08 -0.53 5.00 0.00 -0.90 -0.33 119.26 123.70 1y9b h ALA 44 Ca 0.08 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1y9b h ALA 44 Cb 0.74 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1y9b h ALA 44 CO 0.06 -0.30 0.06 0.87 0.00 0.00 0.00 179.25 179.94 1y9b h LYS 45 N -0.11 0.18 -0.29 0.00 1.57 -1.40 -0.29 116.57 116.22 1y9b h LYS 45 Ca 0.02 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1y9b h LYS 45 Cb 0.23 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1y9b h LYS 45 CO -0.00 0.12 -0.32 -0.56 -0.57 0.00 0.00 179.45 178.12 1y9b h GLN 46 N 0.18 0.61 0.01 3.15 3.07 -1.21 -0.69 115.11 120.23 1y9b h GLN 46 Ca 0.27 -0.28 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 1y9b h GLN 46 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1y9b h GLN 46 CO -0.39 0.86 -0.00 0.28 0.09 0.00 0.00 178.83 179.66 1y9b h VAL 47 N 0.52 1.01 -0.37 1.86 2.07 -0.86 0.07 116.25 120.54 1y9b h VAL 47 Ca 0.06 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1y9b h VAL 47 Cb 0.81 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1y9b h VAL 47 CO 0.07 0.01 0.24 0.40 0.02 0.00 0.00 177.57 178.31 1y9b h ILE 48 N -0.02 1.08 -0.05 4.57 2.04 -0.87 -2.11 117.51 122.15 1y9b h ILE 48 Ca -0.00 -0.17 -0.18 0.00 1.00 0.00 0.00 64.86 65.51 1y9b h ILE 48 Cb 0.02 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1y9b h ILE 48 CO 0.00 0.09 -0.74 1.05 0.00 0.00 0.00 178.15 178.55 1y9b h GLU 49 N 0.49 0.31 -0.80 2.37 4.11 -1.12 -2.15 114.58 117.79 1y9b h GLU 49 Ca 0.14 -0.27 0.07 0.00 0.07 0.00 0.00 59.36 59.38 1y9b h GLU 49 Cb -0.05 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1y9b h GLU 49 CO -0.04 0.92 0.52 -0.09 0.07 0.00 0.00 179.01 180.40 1y9b h ARG 50 N 0.21 0.81 -0.21 1.06 2.43 -0.87 0.31 114.38 118.12 1y9b h ARG 50 Ca -0.03 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 58.92 1y9b h ARG 50 Cb 1.31 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1y9b h ARG 50 CO 0.12 0.53 -0.58 1.49 -1.51 0.00 0.00 179.97 180.02 1y9b h GLU 51 N 0.83 0.68 -0.65 0.20 4.57 -1.21 -0.42 114.58 118.58 1y9b h GLU 51 Ca 0.35 -0.45 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 1y9b h GLU 51 Cb 0.30 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1y9b h GLU 51 CO -0.13 1.07 0.28 0.37 -1.18 0.00 0.00 179.01 179.42 1y9b h GLN 52 N 0.51 0.96 -0.63 1.92 5.75 -0.87 -1.84 115.11 120.90 1y9b h GLN 52 Ca 0.00 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.28 1y9b h GLN 52 Cb 1.16 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.52 1y9b h GLN 52 CO 0.12 0.79 0.13 0.00 -2.65 0.00 0.00 178.83 177.22 1y9b h ALA 53 N 1.12 1.03 -0.54 3.38 0.00 -0.92 -2.78 119.26 120.57 1y9b h ALA 53 Ca 0.22 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1y9b h ALA 53 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1y9b h ALA 53 CO -0.02 0.63 0.09 1.25 0.00 0.00 0.00 179.25 181.19 1y9b h LEU 54 N 0.96 0.80 -0.13 0.00 5.85 -0.57 -2.01 115.31 120.21 1y9b h LEU 54 Ca 0.20 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1y9b h LEU 54 Cb 0.37 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1y9b h LEU 54 CO 0.00 0.81 -0.26 0.11 -0.34 0.00 0.00 178.44 178.77 1y9b h LYS 55 N 0.81 0.41 -0.25 1.25 1.57 -1.27 -1.98 116.57 117.10 1y9b h LYS 55 Ca 0.17 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1y9b h LYS 55 Cb 0.36 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1y9b h LYS 55 CO 0.01 0.86 0.07 1.25 -0.57 0.00 0.00 179.45 181.08 1y9b h LEU 56 N 0.01 0.07 -0.98 2.94 5.85 -1.44 0.29 115.31 122.05 1y9b h LEU 56 Ca 0.01 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1y9b h LEU 56 Cb 0.85 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 1y9b h LEU 56 CO 0.06 0.07 0.64 -1.28 -0.34 0.00 0.00 178.44 177.59 1y9b h SER 57 N 0.18 1.05 0.41 1.25 0.87 -1.39 -0.32 113.55 115.61 1y9b h SER 57 Ca 0.11 -0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.47 1y9b h SER 57 Cb 0.09 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1y9b h SER 57 CO -0.13 0.71 -0.83 -0.61 -0.53 0.00 0.00 176.83 175.44 1y9b h GLN 58 N 1.22 0.31 -0.68 2.24 4.15 -0.71 -3.00 115.11 118.64 1y9b h GLN 58 Ca 0.40 -0.30 0.05 0.00 0.77 0.00 0.00 58.65 59.56 1y9b h GLN 58 Cb 0.03 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 1y9b h GLN 58 CO -0.13 0.98 0.45 0.00 -1.93 0.00 0.00 178.83 178.20 1y9b h ALA 59 N 0.92 1.68 -0.08 3.38 0.00 -0.12 -1.98 119.26 123.06 1y9b h ALA 59 Ca -0.05 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1y9b h ALA 59 Cb 1.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1y9b h ALA 59 CO 0.14 0.23 -0.72 -0.44 0.00 0.00 0.00 179.25 178.46 1y9b h ASP 60 N 0.76 0.46 0.29 0.00 3.32 -1.03 -2.71 116.42 117.52 1y9b h ASP 60 Ca 0.28 -0.30 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 1y9b h ASP 60 Cb 0.16 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1y9b h ASP 60 CO -0.09 1.03 -0.58 0.00 -1.72 0.00 0.00 179.24 177.89 1y9b h ALA 61 N 0.96 0.84 -0.27 3.45 0.00 -1.37 -0.32 119.26 122.55 1y9b h ALA 61 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1y9b h ALA 61 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1y9b h ALA 61 CO 0.12 0.71 0.17 0.28 0.00 0.00 0.00 179.25 180.53 1y9b h VAL 62 N 0.22 1.08 -0.53 0.00 2.07 -1.31 -3.16 116.25 114.62 1y9b h VAL 62 Ca -0.00 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1y9b h VAL 62 Cb 1.08 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1y9b h VAL 62 CO 0.09 0.08 0.08 -0.07 0.02 0.00 0.00 177.57 177.78 1y9b h LEU 63 N 0.35 0.85 -1.97 2.57 3.38 -1.36 -1.32 115.31 117.80 1y9b h LEU 63 Ca 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1y9b h LEU 63 Cb -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1y9b h LEU 63 CO -0.02 0.90 0.00 -0.11 0.09 0.00 0.00 178.44 179.30 1y9b n LEU 64 N -4.37 0.57 0.00 1.67 7.94 -0.14 -1.51 117.00 121.16 1y9b n LEU 64 Ca 0.02 -0.29 0.00 0.00 -1.11 0.00 0.00 56.01 54.63 1y9b n LEU 64 Cb 0.27 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.12 1y9b n LEU 64 CO 0.41 0.10 0.00 1.21 -1.11 0.00 0.00 177.39 178.00 1y9b n GLU 66 N 0.89 0.00 -0.15 1.96 2.13 -0.50 -0.97 120.64 124.00 1y9b n GLU 66 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1y9b n GLU 66 Cb 0.10 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.85 1y9b n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1y9b h ALA 67 N 0.00 0.60 -0.09 4.31 0.00 -1.55 -2.33 119.26 120.20 1y9b h ALA 67 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1y9b h ALA 67 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1y9b h ALA 67 CO 0.00 -0.16 0.04 -0.07 0.00 0.00 0.00 179.25 179.06 1y9b h LEU 68 N 0.42 0.11 -0.44 0.00 3.38 -1.33 -1.70 115.31 115.74 1y9b h LEU 68 Ca 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1y9b h LEU 68 Cb 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1y9b h LEU 68 CO -0.19 0.10 0.00 0.44 0.09 0.00 0.00 178.44 178.89 1y9b h ASP 69 N 0.13 0.00 -2.03 -0.43 3.32 -1.76 -3.37 116.42 112.28 1y9b h ASP 69 Ca 0.03 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.59 1y9b h ASP 69 Cb 0.03 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.17 1y9b h ASP 69 CO -0.00 0.00 -1.10 0.59 -1.72 0.00 0.00 179.24 177.00 1y9b n ASN 70 N -2.42 1.49 0.13 6.45 3.02 -0.67 -4.97 115.26 118.29 1y9b n ASN 70 Ca 0.03 -3.12 -0.00 0.00 -0.03 0.00 0.00 54.58 51.46 1y9b n ASN 70 Cb 0.35 -0.61 0.27 0.00 -0.61 0.00 0.00 39.78 39.17 1y9b n ASN 70 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1y9b h PRO 71 N 2.99 0.14 -0.13 3.52 0.13 -1.67 -1.70 132.00 135.29 1y9b h PRO 71 Ca 0.10 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1y9b h PRO 71 Cb 0.89 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1y9b h PRO 71 CO 0.56 0.53 0.07 0.00 -0.23 0.00 0.00 178.00 178.93 1y9b h ALA 72 N 1.46 0.17 -0.90 -0.56 0.00 -1.93 0.23 119.26 117.73 1y9b h ALA 72 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1y9b h ALA 72 Cb 0.78 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1y9b h ALA 72 CO 0.06 -0.29 0.55 0.28 0.00 0.00 0.00 179.25 179.85 1y9b h VAL 73 N 0.11 1.25 0.40 0.00 2.07 -1.94 0.61 116.25 118.75 1y9b h VAL 73 Ca 0.05 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1y9b h VAL 73 Cb 0.08 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1y9b h VAL 73 CO -0.01 0.25 -0.19 0.58 0.02 0.00 0.00 177.57 178.22 1y9b h VAL 74 N 1.24 0.61 -0.71 2.57 2.07 -1.10 -1.38 116.25 119.55 1y9b h VAL 74 Ca 0.32 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.74 1y9b h VAL 74 Cb -0.07 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1y9b h VAL 74 CO -0.06 0.04 0.47 0.78 0.02 0.00 0.00 177.57 178.81 1y9b h ASN 75 N -0.65 0.56 -0.02 0.57 2.35 -0.49 -0.92 115.58 116.99 1y9b h ASN 75 Ca -0.06 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1y9b h ASN 75 Cb 0.47 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1y9b h ASN 75 CO 0.09 0.35 0.01 0.00 -1.65 0.00 0.00 177.43 176.23 1y9b h ALA 76 N 1.63 0.02 -0.93 -0.83 0.00 -0.62 -1.70 119.26 116.84 1y9b h ALA 76 Ca 0.32 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1y9b h ALA 76 Cb 0.42 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1y9b h ALA 76 CO -0.11 -0.45 0.61 0.87 0.00 0.00 0.00 179.25 180.17 1y9b h LYS 77 N -0.02 1.18 -0.30 0.00 1.57 -0.75 -2.25 116.57 116.00 1y9b h LYS 77 Ca 0.01 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1y9b h LYS 77 Cb 0.04 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1y9b h LYS 77 CO -0.00 0.78 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.46 1y9b h LEU 78 N 1.22 0.49 -0.37 2.94 3.38 -1.19 -2.84 115.31 118.94 1y9b h LEU 78 Ca 0.35 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 1y9b h LEU 78 Cb -0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1y9b h LEU 78 CO -0.09 0.66 -0.50 0.50 0.09 0.00 0.00 178.44 179.10 1y9b h LYS 79 N 0.47 0.84 0.08 1.13 3.64 -0.95 0.25 116.57 122.03 1y9b h LYS 79 Ca 0.08 -0.50 0.01 0.00 -1.27 0.00 0.00 60.65 58.97 1y9b h LYS 79 Cb 0.51 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1y9b h LYS 79 CO 0.03 1.14 -0.12 -0.07 -2.27 0.00 0.00 179.45 178.16 1y9b h LEU 80 N 0.66 -0.32 -0.55 5.20 3.38 -1.37 -0.05 115.31 122.26 1y9b h LEU 80 Ca 0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1y9b h LEU 80 Cb 1.09 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1y9b h LEU 80 CO 0.11 -0.18 0.30 0.00 0.09 0.00 0.00 178.44 178.76 1y9b h ALA 81 N 0.65 0.70 -0.35 1.53 0.00 -1.49 -2.88 119.26 117.43 1y9b h ALA 81 Ca 0.02 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1y9b h ALA 81 Cb 0.25 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1y9b h ALA 81 CO -0.06 0.22 -0.24 1.03 0.00 0.00 0.00 179.25 180.20 1y9b h SER 82 N 0.74 -0.79 -0.03 0.00 0.87 -0.75 -3.52 113.55 110.07 1y9b h SER 82 Ca 0.19 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1y9b h SER 82 Cb 0.05 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1y9b h SER 82 CO -0.03 -0.27 0.00 -1.84 -0.53 0.00 0.00 176.83 174.16