#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoy s ARG 2 N 0.00 0.26 -1.06 2.12 6.06 -1.26 -5.08 118.95 119.99 1aoy s ARG 2 Ca 0.00 -0.06 -0.06 0.00 -2.50 0.00 0.00 55.73 53.11 1aoy s ARG 2 Cb 0.00 -0.93 0.28 0.00 0.06 0.00 0.00 34.95 34.36 1aoy s ARG 2 CO 0.00 -0.88 1.15 0.43 -2.50 0.00 0.00 175.30 173.50 1aoy n SER 3 N 5.31 5.51 -4.46 -2.12 7.64 -1.26 -5.01 113.62 119.22 1aoy n SER 3 Ca -0.04 -3.17 -0.38 0.00 1.01 0.00 0.00 58.87 56.29 1aoy n SER 3 Cb 0.47 -1.28 -0.12 0.00 -1.01 0.00 0.00 64.21 62.28 1aoy n SER 3 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1aoy s SER 4 N 0.11 5.51 -1.17 6.43 0.01 -1.26 -5.03 113.70 118.30 1aoy s SER 4 Ca 0.31 -0.37 -0.21 0.00 1.31 0.00 0.00 55.95 56.99 1aoy s SER 4 Cb -0.05 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1aoy s SER 4 CO -0.03 -0.13 1.79 0.00 0.41 0.00 0.00 173.24 175.27 1aoy s ALA 5 N 1.64 2.52 0.47 1.44 0.00 -1.26 -4.96 121.76 121.61 1aoy s ALA 5 Ca 0.05 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.62 1aoy s ALA 5 Cb -0.16 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.33 1aoy s ALA 5 CO 0.06 -4.18 0.69 0.15 0.00 0.00 0.00 175.76 172.48 1aoy s LYS 6 N 5.42 3.00 -0.06 0.00 1.02 -1.26 -4.99 119.74 122.88 1aoy s LYS 6 Ca 0.60 -0.51 -0.00 0.00 0.02 0.00 0.00 55.97 56.08 1aoy s LYS 6 Cb 0.01 -2.54 0.05 0.00 -0.52 0.00 0.00 37.83 34.82 1aoy s LYS 6 CO 0.06 -0.34 1.76 1.04 -0.92 0.00 0.00 175.35 176.96 1aoy n GLN 7 N -2.13 1.15 -0.01 1.68 6.02 -1.26 -4.15 117.38 118.68 1aoy n GLN 7 Ca 0.02 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 1aoy n GLN 7 Cb 0.58 -1.12 0.01 0.00 1.02 0.00 0.00 30.24 30.73 1aoy n GLN 7 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1aoy n GLU 8 N 1.02 1.06 -0.12 -1.09 1.02 -1.26 -3.41 120.64 117.86 1aoy n GLU 8 Ca 0.06 -0.10 -0.21 0.00 -0.02 0.00 0.00 57.16 56.89 1aoy n GLU 8 Cb 0.54 -1.02 -0.10 0.00 -0.02 0.00 0.00 31.44 30.84 1aoy n GLU 8 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1aoy n GLU 9 N -0.42 0.56 0.21 3.49 -0.58 -1.26 -4.07 120.64 118.58 1aoy n GLU 9 Ca 0.01 0.18 0.18 0.00 -0.42 0.00 0.00 57.16 57.11 1aoy n GLU 9 Cb 0.02 -1.44 0.84 0.00 -0.57 0.00 0.00 31.44 30.30 1aoy n GLU 9 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1aoy h LEU 10 N -0.42 0.00 0.15 -4.62 5.85 -1.90 -0.56 115.31 113.80 1aoy h LEU 10 Ca -0.58 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 57.93 1aoy h LEU 10 Cb 1.69 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.74 1aoy h LEU 10 CO -0.23 0.00 -0.96 0.58 -0.34 0.00 0.00 178.44 177.49 1aoy h VAL 11 N 0.00 1.42 -0.46 1.05 2.07 -1.77 -1.95 116.25 116.61 1aoy h VAL 11 Ca 0.09 -2.53 -0.08 0.00 0.82 0.00 0.00 66.70 65.00 1aoy h VAL 11 Cb 0.61 3.11 -0.02 0.00 -1.52 0.00 0.00 31.29 33.47 1aoy h VAL 11 CO -0.00 0.72 -0.02 0.07 0.02 0.00 0.00 177.57 178.36 1aoy h LYS 12 N -0.33 0.83 0.05 1.57 5.09 -1.42 -2.43 116.57 119.93 1aoy h LYS 12 Ca -0.18 -0.28 0.00 0.00 0.09 0.00 0.00 60.65 60.29 1aoy h LYS 12 Cb 1.70 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.96 1aoy h LYS 12 CO 0.15 0.90 -0.05 0.00 -2.09 0.00 0.00 179.45 178.35 1aoy h ALA 13 N 0.91 -0.09 0.39 0.07 0.00 -1.28 -1.15 119.26 118.11 1aoy h ALA 13 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1aoy h ALA 13 Cb 0.54 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1aoy h ALA 13 CO 0.03 -0.56 -0.48 0.35 0.00 0.00 0.00 179.25 178.59 1aoy h PHE 14 N -0.11 -1.35 -0.91 0.00 3.57 -1.26 0.05 116.94 116.94 1aoy h PHE 14 Ca 0.00 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.63 1aoy h PHE 14 Cb 0.10 0.54 -0.08 0.00 2.79 0.00 0.00 35.95 39.30 1aoy h PHE 14 CO -0.10 -0.62 0.54 0.87 -2.23 0.00 0.00 178.31 176.78 1aoy h LYS 15 N -0.89 0.84 0.12 1.11 1.79 -1.43 -2.46 116.57 115.64 1aoy h LYS 15 Ca -0.05 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1aoy h LYS 15 Cb 0.80 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1aoy h LYS 15 CO -0.11 0.55 -0.06 0.00 -1.08 0.00 0.00 179.45 178.76 1aoy h ALA 16 N 1.51 -0.16 -0.56 3.86 0.00 -0.86 -1.70 119.26 121.34 1aoy h ALA 16 Ca 0.45 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.36 1aoy h ALA 16 Cb 0.46 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1aoy h ALA 16 CO -0.27 -0.51 0.02 -0.07 0.00 0.00 0.00 179.25 178.42 1aoy h LEU 17 N -0.34 -0.20 -0.08 0.00 3.38 -0.59 -1.30 115.31 116.18 1aoy h LEU 17 Ca -0.02 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1aoy h LEU 17 Cb 0.27 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1aoy h LEU 17 CO 0.03 -0.08 0.03 -0.07 0.09 0.00 0.00 178.44 178.44 1aoy h LEU 18 N 0.14 0.12 -2.28 1.67 3.38 -1.42 -2.98 115.31 113.93 1aoy h LEU 18 Ca 0.29 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1aoy h LEU 18 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1aoy h LEU 18 CO -0.46 0.27 0.00 0.11 0.09 0.00 0.00 178.44 178.45 1aoy h LYS 19 N -0.04 0.00 0.00 1.13 1.57 -0.66 -0.97 116.57 117.60 1aoy h LYS 19 Ca 0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1aoy h LYS 19 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1aoy h LYS 19 CO -0.00 0.00 -0.12 0.93 -0.57 0.00 0.00 179.45 179.69 1aoy h GLU 20 N 0.00 0.00 -5.16 3.15 5.08 -1.09 -3.47 114.58 113.08 1aoy h GLU 20 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aoy h GLU 20 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1aoy h GLU 20 CO 0.00 0.12 -0.13 0.39 -1.00 0.00 0.00 179.01 178.40 1aoy n GLU 21 N -3.23 -1.49 0.00 2.33 1.02 -0.37 -4.99 120.64 113.91 1aoy n GLU 21 Ca 0.01 1.58 0.00 0.00 -0.02 0.00 0.00 57.16 58.73 1aoy n GLU 21 Cb 0.41 -5.42 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 1aoy n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1aoy n LYS 22 N -1.33 0.00 -2.73 3.49 4.81 -1.26 -5.01 118.16 116.14 1aoy n LYS 22 Ca 0.03 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.05 1aoy n LYS 22 Cb 0.48 -0.40 -0.03 0.00 0.02 0.00 0.00 35.03 35.10 1aoy n LYS 22 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1aoy s PHE 23 N -1.19 3.57 -2.33 5.64 0.08 -1.26 -4.95 117.98 117.54 1aoy s PHE 23 Ca 0.00 1.60 0.20 0.00 0.12 0.00 0.00 56.93 58.85 1aoy s PHE 23 Cb 0.00 -3.13 0.27 0.00 -0.57 0.00 0.00 43.02 39.58 1aoy s PHE 23 CO 0.00 -0.12 1.23 -1.13 -0.10 0.00 0.00 175.22 175.10 1aoy n SER 24 N 4.52 2.96 -3.62 1.36 3.41 -1.26 -0.57 113.62 120.42 1aoy n SER 24 Ca 0.07 -1.89 -0.07 0.00 -0.26 0.00 0.00 58.87 56.72 1aoy n SER 24 Cb 0.50 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 1aoy n SER 24 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1aoy s SER 25 N -1.52 -0.19 0.02 4.04 1.04 -1.26 -4.77 113.70 111.07 1aoy s SER 25 Ca 0.29 -0.74 -0.28 0.00 0.48 0.00 0.00 55.95 55.69 1aoy s SER 25 Cb 0.18 0.75 -0.16 0.00 0.10 0.00 0.00 66.02 66.90 1aoy s SER 25 CO 0.26 -1.42 1.19 1.56 0.98 0.00 0.00 173.24 175.81 1aoy h GLN 26 N 2.00 -0.94 -0.93 4.02 4.20 -1.96 -3.13 115.11 118.36 1aoy h GLN 26 Ca -0.22 0.06 0.27 0.00 0.06 0.00 0.00 58.65 58.82 1aoy h GLN 26 Cb 1.25 0.21 -0.04 0.00 0.30 0.00 0.00 27.48 29.21 1aoy h GLN 26 CO 0.28 -0.62 0.75 0.78 -0.67 0.00 0.00 178.83 179.35 1aoy h GLY 27 N -1.23 0.00 0.72 3.46 0.00 -1.96 0.58 103.07 104.65 1aoy h GLY 27 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1aoy h GLY 27 CO 0.16 0.00 -0.00 -2.09 0.00 0.00 0.00 176.54 174.61 1aoy h GLU 28 N 0.00 0.12 0.00 4.80 4.81 -1.96 -2.47 114.58 119.88 1aoy h GLU 28 Ca 0.44 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.59 1aoy h GLU 28 Cb 1.93 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.30 1aoy h GLU 28 CO -0.00 0.41 -0.19 0.97 -0.73 0.00 0.00 179.01 179.47 1aoy h ILE 29 N -0.18 0.35 0.10 2.32 2.10 -0.96 -2.45 117.51 118.79 1aoy h ILE 29 Ca 0.02 -1.32 -0.00 0.00 1.08 0.00 0.00 64.86 64.64 1aoy h ILE 29 Cb 0.36 2.02 0.00 0.00 -1.09 0.00 0.00 36.82 38.11 1aoy h ILE 29 CO 0.00 0.18 -0.05 0.58 -1.08 0.00 0.00 178.15 177.79 1aoy h VAL 30 N 0.00 0.92 -0.51 2.19 2.07 -0.89 -2.19 116.25 117.85 1aoy h VAL 30 Ca -0.00 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 1aoy h VAL 30 Cb 1.00 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1aoy h VAL 30 CO 0.02 0.01 -0.10 0.00 0.02 0.00 0.00 177.57 177.53 1aoy h ALA 31 N 0.75 0.69 -0.32 1.67 0.00 -1.44 -3.18 119.26 117.44 1aoy h ALA 31 Ca -0.01 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.62 1aoy h ALA 31 Cb 0.12 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1aoy h ALA 31 CO 0.02 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.83 1aoy h ALA 32 N 0.90 0.25 0.00 0.00 0.00 -1.27 -1.51 119.26 117.64 1aoy h ALA 32 Ca 0.13 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1aoy h ALA 32 Cb 0.66 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1aoy h ALA 32 CO 0.05 -0.43 -0.16 -0.07 0.00 0.00 0.00 179.25 178.63 1aoy h LEU 33 N 0.05 0.00 -1.07 0.00 3.38 -1.43 -1.47 115.31 114.77 1aoy h LEU 33 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1aoy h LEU 33 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1aoy h LEU 33 CO -0.29 0.16 -0.30 1.56 0.09 0.00 0.00 178.44 179.65 1aoy h GLN 34 N 0.00 0.29 0.02 1.13 4.20 -1.26 -1.40 115.11 118.09 1aoy h GLN 34 Ca -0.00 -0.11 -0.20 0.00 0.06 0.00 0.00 58.65 58.39 1aoy h GLN 34 Cb 0.41 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1aoy h GLN 34 CO 0.02 0.57 -0.94 0.93 -0.67 0.00 0.00 178.83 178.74 1aoy h GLU 35 N 0.26 0.11 -0.08 1.46 5.08 -1.04 -3.32 114.58 117.06 1aoy h GLU 35 Ca 0.04 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1aoy h GLU 35 Cb 0.66 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1aoy h GLU 35 CO 0.05 0.97 0.02 1.96 -1.00 0.00 0.00 179.01 181.00 1aoy h GLN 36 N 0.05 0.13 0.00 2.33 4.20 -0.92 -3.47 115.11 117.43 1aoy h GLN 36 Ca -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1aoy h GLN 36 Cb 1.62 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.38 1aoy h GLN 36 CO 0.14 0.33 0.00 0.41 -0.67 0.00 0.00 178.83 179.04 1aoy n GLY 37 N -0.45 0.00 2.83 3.46 0.00 -0.73 -5.10 105.19 105.19 1aoy n GLY 37 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1aoy n GLY 37 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aoy s PHE 38 N 0.00 1.94 -1.02 1.61 0.08 -0.61 -4.97 117.98 115.00 1aoy s PHE 38 Ca 0.00 -1.63 0.13 0.00 0.12 0.00 0.00 56.93 55.55 1aoy s PHE 38 Cb 0.00 -1.60 0.57 0.00 -0.57 0.00 0.00 43.02 41.43 1aoy s PHE 38 CO 0.00 -0.78 1.43 -0.25 -0.10 0.00 0.00 175.22 175.52 1aoy n ASP 39 N 4.79 3.97 -2.87 1.36 8.00 -1.26 -3.90 116.55 126.64 1aoy n ASP 39 Ca -0.07 -2.44 -0.25 0.00 0.71 0.00 0.00 54.79 52.75 1aoy n ASP 39 Cb 0.44 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 1aoy n ASP 39 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1aoy n ASN 40 N 0.72 3.79 -3.84 -2.24 2.85 -1.26 -5.05 115.26 110.23 1aoy n ASN 40 Ca 0.20 -3.53 -0.12 0.00 -0.11 0.00 0.00 54.58 51.01 1aoy n ASN 40 Cb 0.78 -0.55 -0.13 0.00 1.24 0.00 0.00 39.78 41.12 1aoy n ASN 40 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1aoy s ILE 41 N -4.28 -0.00 0.34 -1.44 -1.09 -1.26 -5.05 121.20 108.41 1aoy s ILE 41 Ca 0.46 0.00 -0.06 0.00 -2.23 0.00 0.00 60.65 58.82 1aoy s ILE 41 Cb 0.32 -0.12 0.01 0.00 -1.58 0.00 0.00 42.46 41.10 1aoy s ILE 41 CO -0.13 0.00 0.54 0.54 -1.23 0.00 0.00 174.94 174.66 1aoy s ASN 42 N 0.07 0.64 0.32 3.58 2.20 -1.26 -5.01 114.94 115.47 1aoy s ASN 42 Ca -0.00 -1.36 0.03 0.00 -0.94 0.00 0.00 52.86 50.58 1aoy s ASN 42 Cb -0.01 0.70 0.61 0.00 -2.00 0.00 0.00 41.25 40.55 1aoy s ASN 42 CO -0.00 -1.37 1.91 -0.61 -2.94 0.00 0.00 177.10 174.09 1aoy h GLN 43 N 2.10 0.91 -0.45 3.55 4.15 -1.96 -1.37 115.11 122.03 1aoy h GLN 43 Ca -0.29 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 58.94 1aoy h GLN 43 Cb 1.24 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1aoy h GLN 43 CO 0.39 0.60 -0.24 1.03 -1.93 0.00 0.00 178.83 178.68 1aoy h SER 44 N 0.93 0.99 -0.76 -0.69 0.87 -1.98 -0.26 113.55 112.66 1aoy h SER 44 Ca 0.38 -0.41 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 1aoy h SER 44 Cb 0.28 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1aoy h SER 44 CO -0.15 1.19 0.30 0.50 -0.53 0.00 0.00 176.83 178.13 1aoy h LYS 45 N 0.80 1.14 -0.04 2.24 1.63 -1.77 0.45 116.57 121.02 1aoy h LYS 45 Ca 0.10 -0.21 -0.25 0.00 -0.85 0.00 0.00 60.65 59.44 1aoy h LYS 45 Cb 0.82 -0.18 0.02 0.00 -0.60 0.00 0.00 32.23 32.29 1aoy h LYS 45 CO 0.07 0.93 -0.94 0.28 -3.45 0.00 0.00 179.45 176.34 1aoy h VAL 46 N 1.10 1.29 -0.21 2.00 2.07 -1.20 -1.26 116.25 120.04 1aoy h VAL 46 Ca 0.25 -2.16 -0.12 0.00 0.82 0.00 0.00 66.70 65.49 1aoy h VAL 46 Cb 0.23 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1aoy h VAL 46 CO -0.02 0.67 -0.38 0.77 0.02 0.00 0.00 177.57 178.63 1aoy h SER 47 N 0.40 0.49 -0.28 0.57 4.64 -0.96 -1.13 113.55 117.28 1aoy h SER 47 Ca -0.11 -0.21 -0.11 0.00 -0.47 0.00 0.00 61.79 60.90 1aoy h SER 47 Cb 1.60 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1aoy h SER 47 CO 0.19 0.83 -0.25 0.03 -0.87 0.00 0.00 176.83 176.75 1aoy h ARG 48 N 0.39 0.66 -0.28 4.77 3.08 -0.91 -2.60 114.38 119.49 1aoy h ARG 48 Ca 0.04 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 1aoy h ARG 48 Cb 0.85 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1aoy h ARG 48 CO 0.07 0.94 -0.20 0.52 -1.07 0.00 0.00 179.97 180.23 1aoy h MET 49 N 0.39 0.51 -0.26 0.04 2.86 -1.11 0.23 114.93 117.59 1aoy h MET 49 Ca 0.05 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1aoy h MET 49 Cb 0.81 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1aoy h MET 49 CO 0.06 0.68 0.12 -0.07 1.06 0.00 0.00 176.91 178.77 1aoy h LEU 50 N 0.45 0.34 -0.30 1.22 3.38 -1.14 0.16 115.31 119.42 1aoy h LEU 50 Ca 0.07 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 1aoy h LEU 50 Cb 0.61 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1aoy h LEU 50 CO 0.04 0.37 -0.50 0.74 0.09 0.00 0.00 178.44 179.18 1aoy h THR 51 N 0.28 1.28 0.53 0.22 2.02 -1.29 0.93 112.91 116.88 1aoy h THR 51 Ca 0.09 -1.68 -0.03 0.00 0.77 0.00 0.00 66.41 65.56 1aoy h THR 51 Cb 0.12 1.60 0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1aoy h THR 51 CO -0.01 0.55 -0.26 0.50 0.37 0.00 0.00 175.52 176.67 1aoy h LYS 52 N 0.66 -0.69 -0.09 6.66 3.11 -0.41 -3.20 116.57 122.61 1aoy h LYS 52 Ca 0.02 0.05 -0.13 0.00 -2.81 0.00 0.00 60.65 57.78 1aoy h LYS 52 Cb 1.11 0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.48 1aoy h LYS 52 CO 0.11 -0.40 -0.53 0.74 -2.81 0.00 0.00 179.45 176.57 1aoy h PHE 53 N -0.87 0.31 -1.83 1.91 0.04 -0.77 -3.48 116.94 112.25 1aoy h PHE 53 Ca -0.07 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1aoy h PHE 53 Cb 0.61 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1aoy h PHE 53 CO -0.01 0.73 0.00 0.41 -0.60 0.00 0.00 178.31 178.84 1aoy n GLY 54 N 0.09 0.68 3.88 -1.45 0.00 0.25 -4.57 105.19 104.08 1aoy n GLY 54 Ca -0.02 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1aoy n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aoy s ALA 55 N -2.60 2.97 0.04 4.61 0.00 -0.78 -4.56 121.76 121.44 1aoy s ALA 55 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 51.76 1aoy s ALA 55 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 1aoy s ALA 55 CO 0.00 -0.98 -0.14 0.14 0.00 0.00 0.00 175.76 174.78 1aoy s VAL 56 N -3.29 1.13 -0.34 0.00 -7.23 -0.40 -4.96 120.40 105.30 1aoy s VAL 56 Ca 0.57 -1.03 -0.18 0.00 -1.81 0.00 0.00 61.98 59.53 1aoy s VAL 56 Cb -0.11 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 35.80 1aoy s VAL 56 CO 0.53 -0.01 0.50 -0.13 -0.31 0.00 0.00 175.10 175.68 1aoy s ARG 57 N -1.20 3.68 0.10 4.82 0.52 -1.26 -0.29 118.95 125.33 1aoy s ARG 57 Ca 0.01 -0.11 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 1aoy s ARG 57 Cb -0.08 -3.79 -0.04 0.00 0.52 0.00 0.00 34.95 31.56 1aoy s ARG 57 CO 0.01 -0.60 -0.05 0.95 0.02 0.00 0.00 175.30 175.64 1aoy s THR 58 N 2.36 0.62 -0.06 0.02 -4.23 0.18 -4.89 115.64 109.64 1aoy s THR 58 Ca 0.19 -1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 58.47 1aoy s THR 58 Cb -0.15 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 1aoy s THR 58 CO 0.13 -0.82 1.15 0.00 -0.54 0.00 0.00 174.62 174.53 1aoy s ARG 59 N -3.86 4.38 0.00 3.99 1.70 -1.26 -0.94 118.95 122.96 1aoy s ARG 59 Ca 0.13 1.60 0.00 0.00 -0.47 0.00 0.00 55.73 56.99 1aoy s ARG 59 Cb 0.06 -3.54 0.00 0.00 -0.57 0.00 0.00 34.95 30.90 1aoy s ARG 59 CO -0.04 -0.39 0.00 0.27 -1.08 0.00 0.00 175.30 174.06 1aoy n ASN 60 N 5.04 0.00 -0.30 -2.89 0.23 -0.51 -4.81 115.26 112.02 1aoy n ASN 60 Ca 0.10 -0.23 0.10 0.00 -0.53 0.00 0.00 54.58 54.02 1aoy n ASN 60 Cb 0.47 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.50 1aoy n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1aoy h ALA 61 N -1.56 1.72 -0.73 -2.53 0.00 -1.95 -1.45 119.26 112.76 1aoy h ALA 61 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 1aoy h ALA 61 Cb 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 17.79 17.48 1aoy h ALA 61 CO 0.00 0.04 0.30 1.63 0.00 0.00 0.00 179.25 181.22 1aoy n LYS 62 N -4.58 3.20 -1.10 0.00 4.01 -1.26 -4.93 118.16 113.51 1aoy n LYS 62 Ca 0.18 -3.07 -0.03 0.00 -0.51 0.00 0.00 58.31 54.87 1aoy n LYS 62 Cb 0.42 -2.15 -0.01 0.00 -0.51 0.00 0.00 35.03 32.78 1aoy n LYS 62 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1aoy n MET 63 N -0.48 -1.07 -2.74 1.97 2.81 -0.55 -4.98 117.12 112.09 1aoy n MET 63 Ca 0.43 0.46 -0.42 0.00 -1.81 0.00 0.00 57.70 56.36 1aoy n MET 63 Cb 1.39 -4.37 -0.03 0.00 -0.71 0.00 0.00 33.22 29.50 1aoy n MET 63 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1aoy s GLU 64 N -1.67 4.40 -0.89 0.03 2.02 -1.26 -4.64 118.70 116.69 1aoy s GLU 64 Ca 0.00 1.31 -0.24 0.00 0.02 0.00 0.00 54.97 56.05 1aoy s GLU 64 Cb 0.00 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 1aoy s GLU 64 CO 0.00 -0.30 1.75 -1.64 0.02 0.00 0.00 175.26 175.08 1aoy s MET 65 N 2.00 2.91 0.32 1.61 -1.94 -1.26 -1.42 119.30 121.50 1aoy s MET 65 Ca 0.46 -0.42 0.10 0.00 -1.71 0.00 0.00 55.69 54.12 1aoy s MET 65 Cb -0.18 -5.01 -0.05 0.00 2.01 0.00 0.00 34.83 31.60 1aoy s MET 65 CO 0.17 -2.88 -0.06 0.14 -0.01 0.00 0.00 175.02 172.37 1aoy s VAL 66 N 8.20 2.63 0.08 -6.03 -7.23 -0.12 -4.70 120.40 113.23 1aoy s VAL 66 Ca 0.60 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 1aoy s VAL 66 Cb -0.06 -2.65 -0.06 0.00 0.56 0.00 0.00 36.38 34.18 1aoy s VAL 66 CO 0.00 -0.27 1.13 -0.31 -0.31 0.00 0.00 175.10 175.34 1aoy s TYR 67 N -2.51 3.52 0.29 2.82 2.02 0.27 -0.65 117.35 123.11 1aoy s TYR 67 Ca 0.33 1.45 0.04 0.00 -0.37 0.00 0.00 57.07 58.52 1aoy s TYR 67 Cb -0.02 -3.33 -0.03 0.00 -0.40 0.00 0.00 41.96 38.18 1aoy s TYR 67 CO 0.18 -0.87 0.20 0.00 -1.57 0.00 0.00 175.55 173.49 1aoy s LEU 69 N -3.33 2.79 0.00 0.00 2.96 -1.26 -1.28 118.68 118.56 1aoy s LEU 69 Ca 0.38 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1aoy s LEU 69 Cb 0.04 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 45.09 1aoy s LEU 69 CO 0.20 0.15 0.00 -0.81 -1.32 0.00 0.00 176.35 174.58 1aoy n PRO 70 N 3.60 1.95 -0.82 0.98 -0.04 -1.26 -4.94 135.00 134.46 1aoy n PRO 70 Ca -0.18 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.95 1aoy n PRO 70 Cb 0.53 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.12 1aoy n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aoy n ALA 71 N -3.00 -1.52 -1.42 0.55 0.00 -1.26 -4.73 120.51 109.13 1aoy n ALA 71 Ca 0.00 -0.53 -0.49 0.00 0.00 0.00 0.00 53.44 52.42 1aoy n ALA 71 Cb 0.00 -2.01 -0.10 0.00 0.00 0.00 0.00 19.45 17.34 1aoy n ALA 71 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1aoy n GLU 72 N -2.81 0.46 -3.60 0.00 -0.58 -1.26 -4.91 120.64 107.94 1aoy n GLU 72 Ca 0.10 0.09 -0.17 0.00 -0.42 0.00 0.00 57.16 56.77 1aoy n GLU 72 Cb 0.52 -2.03 -0.14 0.00 -0.57 0.00 0.00 31.44 29.22 1aoy n GLU 72 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1aoy s LEU 73 N 7.98 -0.14 0.00 -4.62 0.20 -1.26 -4.96 118.68 115.87 1aoy s LEU 73 Ca 1.19 0.20 0.00 0.00 0.69 0.00 0.00 54.13 56.20 1aoy s LEU 73 Cb -1.08 0.42 0.00 0.00 -0.43 0.00 0.00 46.19 45.11 1aoy s LEU 73 CO 0.51 -0.27 0.00 0.61 -0.29 0.00 0.00 176.35 176.91 1aoy n GLY 74 N 5.33 0.69 3.73 7.98 0.00 -1.26 -4.83 105.19 116.83 1aoy n GLY 74 Ca -0.05 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1aoy n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aoy s VAL 75 N -1.02 3.70 0.00 1.61 0.11 -1.26 -4.97 120.40 118.57 1aoy s VAL 75 Ca 0.00 1.40 -0.30 0.00 -2.93 0.00 0.00 61.98 60.15 1aoy s VAL 75 Cb 0.00 -3.90 -0.07 0.00 -1.53 0.00 0.00 36.38 30.88 1aoy s VAL 75 CO 0.00 0.21 1.80 -2.16 -3.33 0.00 0.00 175.10 171.63 1aoy s PRO 76 N -0.09 4.16 0.00 1.54 0.04 -1.26 -4.62 135.00 134.78 1aoy s PRO 76 Ca 0.53 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.97 1aoy s PRO 76 Cb -0.31 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1aoy s PRO 76 CO 0.35 -0.89 0.00 -2.37 0.04 0.00 0.00 177.00 174.13 1aoy n THR 77 N 5.45 0.00 -1.01 1.26 5.66 -1.26 -5.21 114.28 119.16 1aoy n THR 77 Ca 0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1aoy n THR 77 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1aoy n THR 77 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43