#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 0.57 -0.21 0.03 0.52 -1.26 -4.98 118.95 113.62 1aoy s ARG 2 Ca 0.00 -0.98 -0.07 0.00 -0.52 0.00 0.00 55.73 54.16 1aoy s ARG 2 Cb 0.00 -1.70 -0.19 0.00 0.52 0.00 0.00 34.95 33.58 1aoy s ARG 2 CO 0.00 -1.03 0.00 -1.13 0.02 0.00 0.00 175.30 173.17 1aoy n SER 3 N 4.83 2.01 -2.59 0.23 3.41 -1.26 -5.06 113.62 115.19 1aoy n SER 3 Ca -0.02 0.13 -0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1aoy n SER 3 Cb 0.41 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1aoy n SER 3 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1aoy n SER 4 N -3.67 -6.05 -4.47 4.04 7.64 -1.26 -4.96 113.62 104.89 1aoy n SER 4 Ca -0.41 -0.05 -0.43 0.00 1.01 0.00 0.00 58.87 58.98 1aoy n SER 4 Cb 0.95 -4.01 -0.04 0.00 -1.01 0.00 0.00 64.21 60.09 1aoy n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aoy s ALA 5 N -3.00 3.20 -1.19 -0.43 0.00 -1.26 -4.98 121.76 114.09 1aoy s ALA 5 Ca 0.00 -1.60 -0.19 0.00 0.00 0.00 0.00 51.96 50.17 1aoy s ALA 5 Cb -0.00 -3.69 0.08 0.00 0.00 0.00 0.00 23.12 19.50 1aoy s ALA 5 CO 0.52 -2.45 1.59 0.15 0.00 0.00 0.00 175.76 175.58 1aoy s LYS 6 N 3.67 3.87 -0.46 0.00 3.01 -1.26 -4.07 119.74 124.50 1aoy s LYS 6 Ca 0.23 -1.81 0.00 0.00 -1.01 0.00 0.00 55.97 53.38 1aoy s LYS 6 Cb -0.16 -5.40 0.00 0.00 -1.01 0.00 0.00 37.83 31.26 1aoy s LYS 6 CO 0.14 -2.16 0.00 0.94 0.51 0.00 0.00 175.35 174.77 1aoy n GLN 7 N 8.12 -0.87 0.00 1.68 -0.06 -1.26 -4.87 117.38 120.12 1aoy n GLN 7 Ca 0.42 0.50 0.14 0.00 -2.00 0.00 0.00 57.00 56.07 1aoy n GLN 7 Cb 0.47 -4.32 0.67 0.00 -4.06 0.00 0.00 30.24 23.00 1aoy n GLN 7 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1aoy n GLU 8 N -1.74 0.25 0.13 3.69 1.02 -1.26 -3.60 120.64 119.14 1aoy n GLU 8 Ca -0.04 -0.02 -0.22 0.00 -0.02 0.00 0.00 57.16 56.86 1aoy n GLU 8 Cb 0.28 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.05 1aoy n GLU 8 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1aoy h GLU 9 N 0.04 0.46 0.00 3.49 4.39 -1.90 -2.68 114.58 118.38 1aoy h GLU 9 Ca 0.00 -0.78 -0.00 0.00 0.34 0.00 0.00 59.36 58.91 1aoy h GLU 9 Cb 0.39 0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1aoy h GLU 9 CO 0.00 1.37 -0.02 1.25 -1.16 0.00 0.00 179.01 180.45 1aoy h LEU 10 N 0.13 0.00 0.07 1.33 5.85 -1.97 -2.32 115.31 118.40 1aoy h LEU 10 Ca -0.22 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1aoy h LEU 10 Cb 2.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.14 1aoy h LEU 10 CO 0.25 0.02 -0.03 0.58 -0.34 0.00 0.00 178.44 178.92 1aoy h VAL 11 N 0.00 1.20 -0.35 1.05 2.07 -1.66 -2.11 116.25 116.45 1aoy h VAL 11 Ca -0.00 -1.41 0.08 0.00 0.82 0.00 0.00 66.70 66.19 1aoy h VAL 11 Cb 0.05 2.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 1aoy h VAL 11 CO 0.00 0.33 -0.17 0.11 0.02 0.00 0.00 177.57 177.86 1aoy h LYS 12 N -0.79 -0.11 -0.59 1.57 6.56 -1.12 -1.27 116.57 120.83 1aoy h LYS 12 Ca -0.01 0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 1aoy h LYS 12 Cb 0.61 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.26 1aoy h LYS 12 CO 0.02 -0.07 0.37 0.00 -2.06 0.00 0.00 179.45 177.70 1aoy h ALA 13 N 1.14 0.75 0.26 3.86 0.00 -1.53 -1.80 119.26 121.94 1aoy h ALA 13 Ca 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1aoy h ALA 13 Cb 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1aoy h ALA 13 CO -0.43 0.11 -0.42 0.35 0.00 0.00 0.00 179.25 178.86 1aoy h PHE 14 N 0.73 -1.20 -0.78 0.00 3.57 -0.56 -1.47 116.94 117.23 1aoy h PHE 14 Ca 0.23 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.90 1aoy h PHE 14 Cb -0.01 0.49 -0.10 0.00 2.79 0.00 0.00 35.95 39.12 1aoy h PHE 14 CO -0.05 -0.52 0.32 0.87 -2.23 0.00 0.00 178.31 176.70 1aoy h LYS 15 N -0.72 0.44 -0.32 1.11 1.79 -1.20 -2.38 116.57 115.29 1aoy h LYS 15 Ca -0.03 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1aoy h LYS 15 Cb 0.67 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1aoy h LYS 15 CO -0.14 0.29 0.14 0.00 -1.08 0.00 0.00 179.45 178.66 1aoy h ALA 16 N 1.57 0.41 -0.42 3.86 0.00 -1.05 -2.53 119.26 121.11 1aoy h ALA 16 Ca 0.44 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1aoy h ALA 16 Cb 0.69 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1aoy h ALA 16 CO -0.42 -0.01 0.26 -0.07 0.00 0.00 0.00 179.25 179.01 1aoy h LEU 17 N 0.37 0.42 -0.57 0.00 3.38 -0.76 -2.78 115.31 115.36 1aoy h LEU 17 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1aoy h LEU 17 Cb 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1aoy h LEU 17 CO -0.01 0.30 0.37 -0.07 0.09 0.00 0.00 178.44 179.12 1aoy h LEU 18 N 0.52 0.66 0.00 1.67 3.38 -1.44 -2.31 115.31 117.79 1aoy h LEU 18 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1aoy h LEU 18 Cb -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1aoy h LEU 18 CO -0.07 0.49 0.00 0.29 0.09 0.00 0.00 178.44 179.25 1aoy n LYS 19 N -4.68 0.02 0.21 1.13 5.02 -0.96 -1.76 118.16 117.15 1aoy n LYS 19 Ca 0.04 0.32 0.10 0.00 -2.02 0.00 0.00 58.31 56.75 1aoy n LYS 19 Cb 0.03 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 33.87 1aoy n LYS 19 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1aoy h GLU 20 N 0.00 0.00 -4.92 1.97 5.08 -1.25 -3.47 114.58 111.99 1aoy h GLU 20 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1aoy h GLU 20 Cb 0.14 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.54 1aoy h GLU 20 CO 0.00 0.19 -0.65 0.39 -1.00 0.00 0.00 179.01 177.93 1aoy n GLU 21 N -3.23 -2.93 0.00 2.33 1.02 -0.72 -4.94 120.64 112.17 1aoy n GLU 21 Ca 0.02 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1aoy n GLU 21 Cb 0.50 -5.00 0.00 0.00 -0.02 0.00 0.00 31.44 26.92 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 -3.07 5.13 -2.99 3.49 4.81 -1.26 -4.87 118.16 119.41 1aoy n LYS 22 Ca -0.11 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.89 1aoy n LYS 22 Cb 0.61 -0.48 -0.05 0.00 0.02 0.00 0.00 35.03 35.12 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 -0.11 2.92 -0.12 5.64 0.40 -1.26 -4.94 117.98 120.50 1aoy s PHE 23 Ca 0.00 -0.24 -0.26 0.00 -0.60 0.00 0.00 56.93 55.83 1aoy s PHE 23 Cb 0.00 -3.81 -0.23 0.00 0.51 0.00 0.00 43.02 39.49 1aoy s PHE 23 CO 0.00 -1.19 0.75 0.66 0.70 0.00 0.00 175.22 176.14 1aoy h SER 24 N 9.15 -0.01 -1.69 1.36 4.64 -1.91 0.48 113.55 125.58 1aoy h SER 24 Ca -0.27 -0.86 -0.63 0.00 -0.47 0.00 0.00 61.79 59.57 1aoy h SER 24 Cb 1.08 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.04 1aoy h SER 24 CO 1.03 0.90 -0.60 -0.94 -0.87 0.00 0.00 176.83 176.35 1aoy s SER 25 N -6.10 3.84 0.09 4.97 1.04 -1.26 -4.32 113.70 111.95 1aoy s SER 25 Ca -0.17 -1.38 -0.26 0.00 0.48 0.00 0.00 55.95 54.63 1aoy s SER 25 Cb -0.02 -0.37 -0.14 0.00 0.10 0.00 0.00 66.02 65.59 1aoy s SER 25 CO 0.63 -0.46 1.69 1.56 0.98 0.00 0.00 173.24 177.64 1aoy h GLN 26 N 1.77 -0.29 -1.21 4.02 7.50 -1.95 -3.01 115.11 121.94 1aoy h GLN 26 Ca -0.44 0.02 0.38 0.00 0.50 0.00 0.00 58.65 59.11 1aoy h GLN 26 Cb 1.24 0.07 -0.12 0.00 0.05 0.00 0.00 27.48 28.72 1aoy h GLN 26 CO 0.80 -0.20 0.77 0.78 -1.50 0.00 0.00 178.83 179.49 1aoy h GLY 27 N -0.30 1.35 0.83 3.46 0.00 -1.95 0.14 103.07 106.61 1aoy h GLY 27 Ca -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1aoy h GLY 27 CO -0.01 -0.34 -0.01 0.83 0.00 0.00 0.00 176.54 177.01 1aoy h GLU 28 N 0.18 0.41 0.00 4.80 5.08 -1.95 -2.36 114.58 120.74 1aoy h GLU 28 Ca 0.75 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.95 1aoy h GLU 28 Cb 2.21 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.42 1aoy h GLU 28 CO -0.40 0.60 -0.12 0.97 -1.00 0.00 0.00 179.01 179.06 1aoy h ILE 29 N 0.17 0.22 -0.30 3.13 2.10 -0.95 -1.84 117.51 120.03 1aoy h ILE 29 Ca 0.06 -1.14 -0.02 0.00 1.08 0.00 0.00 64.86 64.84 1aoy h ILE 29 Cb 0.42 1.96 -0.01 0.00 -1.09 0.00 0.00 36.82 38.10 1aoy h ILE 29 CO 0.01 0.11 0.11 0.58 -1.08 0.00 0.00 178.15 177.88 1aoy h VAL 30 N 0.00 1.19 -0.21 2.19 2.07 -0.70 -2.52 116.25 118.26 1aoy h VAL 30 Ca -0.00 -0.60 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 1aoy h VAL 30 Cb 0.95 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1aoy h VAL 30 CO 0.01 0.20 -0.32 0.00 0.02 0.00 0.00 177.57 177.49 1aoy h ALA 31 N 0.95 0.32 -0.61 1.67 0.00 -1.35 -3.15 119.26 117.09 1aoy h ALA 31 Ca 0.10 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.69 1aoy h ALA 31 Cb 0.21 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1aoy h ALA 31 CO -0.01 0.35 0.23 0.00 0.00 0.00 0.00 179.25 179.82 1aoy h ALA 32 N 0.62 0.78 0.00 0.00 0.00 -1.25 -0.51 119.26 118.90 1aoy h ALA 32 Ca 0.02 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1aoy h ALA 32 Cb 0.90 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1aoy h ALA 32 CO 0.07 -0.19 -0.39 -0.07 0.00 0.00 0.00 179.25 178.68 1aoy h LEU 33 N 0.41 0.00 -0.89 0.00 3.38 -1.54 -0.79 115.31 115.89 1aoy h LEU 33 Ca 0.30 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.17 1aoy h LEU 33 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1aoy h LEU 33 CO -0.30 0.39 -0.30 1.56 0.09 0.00 0.00 178.44 179.88 1aoy h GLN 34 N 0.00 0.47 0.00 1.13 4.20 -1.09 -1.99 115.11 117.83 1aoy h GLN 34 Ca -0.00 -0.19 -0.18 0.00 0.06 0.00 0.00 58.65 58.33 1aoy h GLN 34 Cb 0.85 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 1aoy h GLN 34 CO 0.05 0.72 -0.86 0.93 -0.67 0.00 0.00 178.83 179.00 1aoy h GLU 35 N 0.40 0.05 0.28 1.46 5.08 -0.88 -3.32 114.58 117.65 1aoy h GLU 35 Ca 0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1aoy h GLU 35 Cb 0.73 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1aoy h GLU 35 CO 0.06 0.88 -0.13 1.96 -1.00 0.00 0.00 179.01 180.77 1aoy h GLN 36 N 0.03 -0.36 0.00 2.33 1.08 -0.82 -3.46 115.11 113.90 1aoy h GLN 36 Ca -0.02 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aoy h GLN 36 Cb 1.51 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.02 1aoy h GLN 36 CO 0.12 -0.15 0.00 0.41 -0.95 0.00 0.00 178.83 178.26 1aoy n GLY 37 N -0.89 0.00 3.44 3.46 0.00 -0.93 -5.10 105.19 105.17 1aoy n GLY 37 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 2.25 -0.00 1.61 0.08 -0.79 -5.05 117.98 116.07 1aoy s PHE 38 Ca 0.00 -0.36 -0.03 0.00 0.12 0.00 0.00 56.93 56.66 1aoy s PHE 38 Cb 0.00 -1.04 -0.00 0.00 -0.57 0.00 0.00 43.02 41.41 1aoy s PHE 38 CO 0.00 0.59 0.06 0.34 -0.10 0.00 0.00 175.22 176.12 1aoy s ASP 39 N -3.11 0.05 0.00 1.36 -1.08 -1.26 -4.35 116.67 108.28 1aoy s ASP 39 Ca 0.25 -0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 1aoy s ASP 39 Cb -0.06 0.16 0.00 0.00 -1.46 0.00 0.00 42.92 41.56 1aoy s ASP 39 CO 0.12 -0.21 0.00 -3.20 0.52 0.00 0.00 175.17 172.40 1aoy n ASN 40 N 2.12 -1.52 -4.05 -0.34 5.15 -1.26 -5.09 115.26 110.27 1aoy n ASN 40 Ca -0.19 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.53 1aoy n ASN 40 Cb 0.57 -0.38 -0.17 0.00 -0.53 0.00 0.00 39.78 39.27 1aoy n ASN 40 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1aoy s ILE 41 N -2.61 1.26 0.30 -1.44 -1.09 -1.26 -5.05 121.20 111.31 1aoy s ILE 41 Ca 0.00 -0.55 0.07 0.00 -2.23 0.00 0.00 60.65 57.94 1aoy s ILE 41 Cb 0.00 -1.14 -0.03 0.00 -1.58 0.00 0.00 42.46 39.71 1aoy s ILE 41 CO 0.00 0.38 0.26 -0.46 -1.23 0.00 0.00 174.94 173.89 1aoy n ASN 42 N 3.80 -0.66 -0.22 3.58 0.23 -1.26 -4.98 115.26 115.76 1aoy n ASN 42 Ca -0.22 -2.98 -0.01 0.00 -0.53 0.00 0.00 54.58 50.84 1aoy n ASN 42 Cb 0.52 1.53 0.10 0.00 -2.08 0.00 0.00 39.78 39.86 1aoy n ASN 42 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1aoy h GLN 43 N 0.00 0.55 -0.10 -3.83 4.15 -1.97 -1.97 115.11 111.95 1aoy h GLN 43 Ca -0.21 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.17 1aoy h GLN 43 Cb 1.09 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 1aoy h GLN 43 CO 0.31 0.36 0.06 0.77 -1.93 0.00 0.00 178.83 178.40 1aoy h SER 44 N 0.57 0.12 -0.70 -0.69 0.02 -1.98 0.16 113.55 111.06 1aoy h SER 44 Ca 0.30 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1aoy h SER 44 Cb 0.27 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1aoy h SER 44 CO -0.23 0.14 0.41 0.50 -1.14 0.00 0.00 176.83 176.51 1aoy h LYS 45 N 0.09 0.97 -0.16 3.45 3.64 -1.91 0.22 116.57 122.86 1aoy h LYS 45 Ca 0.04 -0.09 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 1aoy h LYS 45 Cb 0.04 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1aoy h LYS 45 CO -0.01 0.69 -0.64 0.28 -2.27 0.00 0.00 179.45 177.50 1aoy h VAL 46 N 0.98 1.30 -0.10 2.00 2.07 -1.10 -0.94 116.25 120.46 1aoy h VAL 46 Ca 0.25 -1.87 -0.11 0.00 0.82 0.00 0.00 66.70 65.80 1aoy h VAL 46 Cb -0.02 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1aoy h VAL 46 CO -0.05 0.59 -0.43 -1.28 0.02 0.00 0.00 177.57 176.42 1aoy h SER 47 N 0.43 0.25 -0.19 0.57 0.87 -0.32 -0.40 113.55 114.75 1aoy h SER 47 Ca -0.03 -0.11 -0.13 0.00 -1.23 0.00 0.00 61.79 60.29 1aoy h SER 47 Cb 1.27 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1aoy h SER 47 CO 0.13 0.65 -0.40 0.03 -0.53 0.00 0.00 176.83 176.71 1aoy h ARG 48 N 0.20 0.60 -0.42 2.24 3.08 -0.55 -2.17 114.38 117.36 1aoy h ARG 48 Ca 0.02 -0.40 -0.06 0.00 0.07 0.00 0.00 59.98 59.61 1aoy h ARG 48 Cb 0.84 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1aoy h ARG 48 CO 0.07 1.01 0.02 0.52 -1.07 0.00 0.00 179.97 180.52 1aoy h MET 49 N 0.27 0.66 -0.27 0.04 2.86 -1.03 0.25 114.93 117.72 1aoy h MET 49 Ca 0.00 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1aoy h MET 49 Cb 1.00 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1aoy h MET 49 CO 0.09 0.67 0.13 -0.07 1.06 0.00 0.00 176.91 178.79 1aoy h LEU 50 N 0.63 0.35 -0.47 1.22 3.38 -1.00 0.97 115.31 120.39 1aoy h LEU 50 Ca 0.13 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1aoy h LEU 50 Cb 0.36 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1aoy h LEU 50 CO 0.01 0.36 -0.59 0.74 0.09 0.00 0.00 178.44 179.05 1aoy h THR 51 N 0.31 1.32 0.30 0.22 2.02 -1.12 -0.89 112.91 115.08 1aoy h THR 51 Ca 0.09 -1.86 -0.01 0.00 0.77 0.00 0.00 66.41 65.40 1aoy h THR 51 Cb 0.10 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1aoy h THR 51 CO -0.01 0.58 -0.14 0.50 0.37 0.00 0.00 175.52 176.81 1aoy h LYS 52 N 0.42 -0.39 -0.02 6.66 3.11 -0.33 -3.22 116.57 122.81 1aoy h LYS 52 Ca -0.00 0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.75 1aoy h LYS 52 Cb 1.15 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.45 1aoy h LYS 52 CO 0.11 -0.09 -0.51 0.74 -2.81 0.00 0.00 179.45 176.89 1aoy h PHE 53 N -0.69 0.06 -1.22 1.91 0.04 -0.89 -3.48 116.94 112.66 1aoy h PHE 53 Ca -0.04 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1aoy h PHE 53 Cb 0.48 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1aoy h PHE 53 CO 0.01 0.55 0.00 0.41 -0.60 0.00 0.00 178.31 178.69 1aoy n GLY 54 N -0.03 0.55 3.74 -1.45 0.00 -0.52 -4.60 105.19 102.89 1aoy n GLY 54 Ca -0.02 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.20 3.32 0.02 4.61 0.00 -0.45 -4.41 121.76 122.65 1aoy s ALA 55 Ca 0.00 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.55 1aoy s ALA 55 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1aoy s ALA 55 CO 0.00 0.13 -0.04 0.14 0.00 0.00 0.00 175.76 175.98 1aoy s VAL 56 N -0.70 3.80 -0.10 0.00 -7.23 -0.10 -4.90 120.40 111.17 1aoy s VAL 56 Ca 0.42 -0.78 -0.09 0.00 -1.81 0.00 0.00 61.98 59.73 1aoy s VAL 56 Cb -0.24 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 1aoy s VAL 56 CO 0.30 0.34 0.19 -0.13 -0.31 0.00 0.00 175.10 175.50 1aoy s ARG 57 N -1.59 3.59 0.32 4.82 0.52 -1.26 -0.22 118.95 125.14 1aoy s ARG 57 Ca 0.19 -0.03 -0.19 0.00 -0.52 0.00 0.00 55.73 55.18 1aoy s ARG 57 Cb -0.11 -3.22 0.03 0.00 0.52 0.00 0.00 34.95 32.18 1aoy s ARG 57 CO 0.10 0.72 0.75 -0.08 0.02 0.00 0.00 175.30 176.80 1aoy s THR 58 N -0.92 0.00 -0.10 0.02 -1.32 -0.08 -4.94 115.64 108.30 1aoy s THR 58 Ca 0.16 -1.00 -0.28 0.00 -1.21 0.00 0.00 61.69 59.36 1aoy s THR 58 Cb -0.13 -2.37 -0.02 0.00 -1.51 0.00 0.00 72.50 68.48 1aoy s THR 58 CO 0.05 0.00 0.91 -0.13 -2.21 0.00 0.00 174.62 173.25 1aoy s ARG 59 N -3.25 4.41 0.00 7.08 0.52 -1.26 -0.88 118.95 125.56 1aoy s ARG 59 Ca 0.13 1.22 0.00 0.00 -0.52 0.00 0.00 55.73 56.56 1aoy s ARG 59 Cb -0.06 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.89 1aoy s ARG 59 CO 0.09 -0.23 0.00 0.27 0.02 0.00 0.00 175.30 175.45 1aoy n ASN 60 N 4.76 0.00 -0.15 0.23 6.94 -0.53 -4.87 115.26 121.64 1aoy n ASN 60 Ca 0.06 -0.71 0.12 0.00 -0.02 0.00 0.00 54.58 54.03 1aoy n ASN 60 Cb 0.49 0.00 0.45 0.00 -2.36 0.00 0.00 39.78 38.37 1aoy n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aoy h ALA 61 N -1.09 1.95 -0.68 -2.53 0.00 -1.90 -1.73 119.26 113.28 1aoy h ALA 61 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 1aoy h ALA 61 Cb 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 17.51 1aoy h ALA 61 CO 0.00 -0.11 0.28 1.63 0.00 0.00 0.00 179.25 181.05 1aoy n LYS 62 N -4.49 2.63 -1.78 0.00 5.02 -1.26 -4.94 118.16 113.34 1aoy n LYS 62 Ca 0.12 -3.07 -0.15 0.00 -2.02 0.00 0.00 58.31 53.19 1aoy n LYS 62 Cb 0.39 -2.06 -0.04 0.00 -0.02 0.00 0.00 35.03 33.30 1aoy n LYS 62 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1aoy n MET 63 N -0.80 -1.13 -3.41 1.97 2.81 -0.65 -5.00 117.12 110.91 1aoy n MET 63 Ca 0.44 0.92 -0.37 0.00 -1.81 0.00 0.00 57.70 56.87 1aoy n MET 63 Cb 1.35 -5.15 -0.06 0.00 -0.71 0.00 0.00 33.22 28.64 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 -3.88 4.24 -0.95 0.03 2.02 -1.26 -4.75 118.70 114.14 1aoy s GLU 64 Ca 0.00 0.34 -0.24 0.00 0.02 0.00 0.00 54.97 55.09 1aoy s GLU 64 Cb 0.00 -3.39 0.03 0.00 0.10 0.00 0.00 34.13 30.87 1aoy s GLU 64 CO 0.00 0.28 1.53 -1.64 0.02 0.00 0.00 175.26 175.45 1aoy s MET 65 N 0.26 3.33 0.26 1.61 -1.94 -1.26 -1.46 119.30 120.10 1aoy s MET 65 Ca 0.23 -0.82 0.07 0.00 -1.71 0.00 0.00 55.69 53.46 1aoy s MET 65 Cb -0.15 -5.14 -0.05 0.00 2.01 0.00 0.00 34.83 31.50 1aoy s MET 65 CO 0.09 -2.43 -0.09 0.14 -0.01 0.00 0.00 175.02 172.73 1aoy s VAL 66 N 6.10 1.68 0.49 -6.03 -7.23 -0.06 -4.62 120.40 110.73 1aoy s VAL 66 Ca 0.50 -2.16 -0.21 0.00 -1.81 0.00 0.00 61.98 58.30 1aoy s VAL 66 Cb -0.03 -2.33 -0.08 0.00 0.56 0.00 0.00 36.38 34.51 1aoy s VAL 66 CO -0.04 -0.39 1.09 -0.31 -0.31 0.00 0.00 175.10 175.14 1aoy s TYR 67 N -3.00 2.92 0.09 2.82 2.02 0.17 -0.90 117.35 121.47 1aoy s TYR 67 Ca 0.27 1.57 -0.19 0.00 -0.37 0.00 0.00 57.07 58.36 1aoy s TYR 67 Cb 0.02 -3.19 0.04 0.00 -0.40 0.00 0.00 41.96 38.43 1aoy s TYR 67 CO 0.10 -1.14 0.45 0.00 -1.57 0.00 0.00 175.55 173.40 1aoy s LEU 69 N -2.44 4.11 0.00 0.00 2.96 -1.26 -0.92 118.68 121.14 1aoy s LEU 69 Ca -0.01 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1aoy s LEU 69 Cb 0.00 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.54 1aoy s LEU 69 CO -0.08 0.04 0.00 -2.65 -1.32 0.00 0.00 176.35 172.34 1aoy n PRO 70 N 4.36 1.61 -1.88 0.98 -0.02 -1.26 -4.82 135.00 133.96 1aoy n PRO 70 Ca -0.14 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.92 1aoy n PRO 70 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.97 1aoy n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aoy s ALA 71 N -2.63 2.64 -0.32 3.55 0.00 -1.26 -4.74 121.76 119.01 1aoy s ALA 71 Ca 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.12 1aoy s ALA 71 Cb 0.00 -4.09 -0.07 0.00 0.00 0.00 0.00 23.12 18.96 1aoy s ALA 71 CO 0.00 -2.98 0.84 0.39 0.00 0.00 0.00 175.76 174.01 1aoy n GLU 72 N 8.65 0.00 -2.72 0.00 4.71 -1.26 -4.80 120.64 125.21 1aoy n GLU 72 Ca 0.25 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.97 1aoy n GLU 72 Cb 0.48 -0.47 -0.00 0.00 -1.01 0.00 0.00 31.44 30.44 1aoy n GLU 72 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1aoy s LEU 73 N 2.74 4.28 0.00 -4.62 1.43 -1.26 -4.69 118.68 116.56 1aoy s LEU 73 Ca 0.43 -2.56 0.00 0.00 -1.03 0.00 0.00 54.13 50.97 1aoy s LEU 73 Cb -0.39 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1aoy s LEU 73 CO 0.16 -1.04 0.00 0.61 0.23 0.00 0.00 176.35 176.30 1aoy n GLY 74 N 5.06 -0.48 2.79 -3.19 0.00 -1.26 -4.94 105.19 103.17 1aoy n GLY 74 Ca 0.43 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 -0.40 -1.31 1.61 0.11 -1.26 -5.07 120.40 114.09 1aoy s VAL 75 Ca 0.00 -0.98 -0.10 0.00 -2.93 0.00 0.00 61.98 57.97 1aoy s VAL 75 Cb 0.00 -0.59 0.15 0.00 -1.53 0.00 0.00 36.38 34.40 1aoy s VAL 75 CO 0.00 -0.53 1.95 -0.81 -3.33 0.00 0.00 175.10 172.37 1aoy n PRO 76 N 4.10 3.52 -0.51 1.54 -0.04 -1.26 -4.88 135.00 137.47 1aoy n PRO 76 Ca 0.13 -3.37 0.00 0.00 -0.04 0.00 0.00 63.50 60.21 1aoy n PRO 76 Cb 0.47 -2.98 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1aoy n PRO 76 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1aoy n THR 77 N 3.57 0.00 -0.53 0.52 5.66 -1.26 -5.21 114.28 117.03 1aoy n THR 77 Ca 0.42 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.42 1aoy n THR 77 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 1aoy n THR 77 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37