#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 -0.03 -0.68 0.03 0.52 -1.26 -5.11 118.95 112.43 1aoy s ARG 2 Ca 0.00 0.32 -0.23 0.00 -0.52 0.00 0.00 55.73 55.30 1aoy s ARG 2 Cb 0.00 -0.74 0.07 0.00 0.52 0.00 0.00 34.95 34.80 1aoy s ARG 2 CO 0.00 -0.40 1.00 -1.12 0.02 0.00 0.00 175.30 174.80 1aoy s SER 3 N 2.19 6.19 -0.37 0.23 0.01 -1.26 -4.97 113.70 115.71 1aoy s SER 3 Ca 0.04 -0.99 0.02 0.00 1.31 0.00 0.00 55.95 56.33 1aoy s SER 3 Cb -0.13 -2.43 0.11 0.00 0.21 0.00 0.00 66.02 63.79 1aoy s SER 3 CO -0.05 -1.46 0.14 -0.94 0.41 0.00 0.00 173.24 171.34 1aoy s SER 4 N 3.70 4.10 -0.30 2.44 1.04 -1.26 -5.07 113.70 118.34 1aoy s SER 4 Ca 0.24 -2.17 -0.12 0.00 0.48 0.00 0.00 55.95 54.37 1aoy s SER 4 Cb -0.16 -1.14 0.16 0.00 0.10 0.00 0.00 66.02 64.97 1aoy s SER 4 CO 0.10 -0.35 0.85 0.00 0.98 0.00 0.00 173.24 174.82 1aoy s ALA 5 N 0.92 -2.49 0.99 5.32 0.00 -1.26 -5.15 121.76 120.08 1aoy s ALA 5 Ca 0.13 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.20 1aoy s ALA 5 Cb -0.21 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1aoy s ALA 5 CO -0.11 -1.00 0.00 1.63 0.00 0.00 0.00 175.76 176.28 1aoy n LYS 6 N 5.20 0.61 0.05 0.00 5.02 -1.26 -4.98 118.16 122.79 1aoy n LYS 6 Ca -0.09 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.32 1aoy n LYS 6 Cb 0.51 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.81 1aoy n LYS 6 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1aoy n GLN 7 N -0.42 0.18 0.00 1.97 -0.06 -1.26 -3.49 117.38 114.31 1aoy n GLN 7 Ca 0.00 0.08 0.06 0.00 -2.00 0.00 0.00 57.00 55.14 1aoy n GLN 7 Cb 0.00 -1.64 0.38 0.00 -4.06 0.00 0.00 30.24 24.93 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 -1.91 0.46 0.05 3.69 1.02 -1.26 -2.03 120.64 120.66 1aoy n GLU 8 Ca 0.05 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.98 1aoy n GLU 8 Cb 0.40 -1.44 -0.14 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.00 0.32 -0.53 3.49 3.07 -1.94 -2.51 114.58 116.48 1aoy h GLU 9 Ca 0.00 -0.54 -0.04 0.00 -0.50 0.00 0.00 59.36 58.28 1aoy h GLU 9 Cb 0.00 0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1aoy h GLU 9 CO 0.00 1.21 0.17 1.25 -1.40 0.00 0.00 179.01 180.25 1aoy h LEU 10 N 0.09 0.72 -0.03 1.33 5.85 -1.65 0.20 115.31 121.81 1aoy h LEU 10 Ca -0.35 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 1aoy h LEU 10 Cb 2.06 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.91 1aoy h LEU 10 CO 0.15 0.68 -0.14 0.58 -0.34 0.00 0.00 178.44 179.37 1aoy h VAL 11 N 0.77 1.47 -0.33 1.05 2.07 -1.66 0.09 116.25 119.71 1aoy h VAL 11 Ca 0.18 -1.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 1aoy h VAL 11 Cb 0.21 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1aoy h VAL 11 CO -0.01 0.44 -0.14 0.50 0.02 0.00 0.00 177.57 178.38 1aoy h LYS 12 N -0.42 0.59 -0.36 1.57 3.11 -1.33 -2.45 116.57 117.29 1aoy h LYS 12 Ca -0.01 -0.19 -0.14 0.00 -2.81 0.00 0.00 60.65 57.50 1aoy h LYS 12 Cb 0.79 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.96 1aoy h LYS 12 CO 0.03 0.72 -0.33 0.00 -2.81 0.00 0.00 179.45 177.05 1aoy h ALA 13 N 1.31 0.52 -0.23 5.00 0.00 -0.65 -2.62 119.26 122.59 1aoy h ALA 13 Ca 0.09 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1aoy h ALA 13 Cb 0.56 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1aoy h ALA 13 CO 0.04 0.58 -0.08 0.35 0.00 0.00 0.00 179.25 180.14 1aoy h PHE 14 N 0.65 -0.18 -0.46 0.00 3.57 -0.67 0.12 116.94 119.97 1aoy h PHE 14 Ca 0.06 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1aoy h PHE 14 Cb 0.92 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1aoy h PHE 14 CO 0.07 -0.13 0.29 0.87 -2.23 0.00 0.00 178.31 177.17 1aoy h LYS 15 N -0.04 0.57 -0.36 1.11 1.57 -1.44 -2.63 116.57 115.35 1aoy h LYS 15 Ca 0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1aoy h LYS 15 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1aoy h LYS 15 CO -0.26 0.37 0.24 0.00 -0.57 0.00 0.00 179.45 179.24 1aoy h ALA 16 N 1.18 0.46 -0.47 3.86 0.00 -1.01 -0.32 119.26 122.97 1aoy h ALA 16 Ca 0.17 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1aoy h ALA 16 Cb -0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 1aoy h ALA 16 CO -0.06 -0.07 0.12 -0.07 0.00 0.00 0.00 179.25 179.17 1aoy h LEU 17 N 0.49 0.05 0.03 0.00 3.38 -0.58 -1.54 115.31 117.15 1aoy h LEU 17 Ca 0.13 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1aoy h LEU 17 Cb -0.05 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1aoy h LEU 17 CO -0.03 0.06 -0.01 -0.07 0.09 0.00 0.00 178.44 178.48 1aoy h LEU 18 N 0.26 -0.03 -2.51 1.67 3.38 -1.27 -3.17 115.31 113.63 1aoy h LEU 18 Ca 0.23 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1aoy h LEU 18 Cb 0.28 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1aoy h LEU 18 CO -0.28 0.35 0.00 0.11 0.09 0.00 0.00 178.44 178.71 1aoy h LYS 19 N -0.42 0.00 0.00 1.13 1.57 -0.86 -0.67 116.57 117.32 1aoy h LYS 19 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aoy h LYS 19 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1aoy h LYS 19 CO 0.01 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.82 1aoy h GLU 20 N 0.00 0.00 -5.14 3.15 4.39 -1.25 -3.47 114.58 112.26 1aoy h GLU 20 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1aoy h GLU 20 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1aoy h GLU 20 CO 0.00 0.00 -0.04 0.39 -1.16 0.00 0.00 179.01 178.20 1aoy n GLU 21 N -3.00 -1.28 0.01 2.33 1.02 -0.26 -4.99 120.64 114.47 1aoy n GLU 21 Ca 0.01 1.45 0.00 0.00 -0.02 0.00 0.00 57.16 58.61 1aoy n GLU 21 Cb 0.32 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.39 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 -1.58 0.00 -2.55 3.49 4.81 -1.26 -4.85 118.16 116.22 1aoy n LYS 22 Ca 0.01 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.03 1aoy n LYS 22 Cb 0.49 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.51 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 -2.00 3.57 -0.13 5.64 0.08 -1.26 -4.91 117.98 118.97 1aoy s PHE 23 Ca 0.00 1.53 0.19 0.00 0.12 0.00 0.00 56.93 58.77 1aoy s PHE 23 Cb 0.00 -3.27 -0.27 0.00 -0.57 0.00 0.00 43.02 38.91 1aoy s PHE 23 CO 0.00 -0.63 0.30 -1.13 -0.10 0.00 0.00 175.22 173.66 1aoy n SER 24 N 3.39 0.09 -4.33 1.36 3.41 -1.26 -0.26 113.62 116.01 1aoy n SER 24 Ca 0.06 0.04 -0.17 0.00 -0.26 0.00 0.00 58.87 58.54 1aoy n SER 24 Cb 0.48 1.28 -0.10 0.00 -0.26 0.00 0.00 64.21 65.60 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 -5.16 1.53 0.06 4.04 1.04 -1.26 -4.62 113.70 109.33 1aoy s SER 25 Ca -0.08 -1.32 -0.33 0.00 0.48 0.00 0.00 55.95 54.69 1aoy s SER 25 Cb 0.09 0.08 -0.19 0.00 0.10 0.00 0.00 66.02 66.11 1aoy s SER 25 CO 0.86 -0.65 1.56 1.56 0.98 0.00 0.00 173.24 177.55 1aoy h GLN 26 N 2.39 -0.94 -0.28 4.02 4.20 -1.96 -2.88 115.11 119.66 1aoy h GLN 26 Ca -0.39 0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.47 1aoy h GLN 26 Cb 1.24 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 1aoy h GLN 26 CO 0.63 -0.62 0.35 0.78 -0.67 0.00 0.00 178.83 179.31 1aoy h GLY 27 N -1.01 0.00 0.89 3.46 0.00 -1.97 -0.46 103.07 103.98 1aoy h GLY 27 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 1aoy h GLY 27 CO 0.16 0.00 -0.39 -2.09 0.00 0.00 0.00 176.54 174.22 1aoy h GLU 28 N 0.00 0.56 0.00 4.80 4.81 -1.93 -2.61 114.58 120.21 1aoy h GLU 28 Ca 0.13 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1aoy h GLU 28 Cb 0.83 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 1aoy h GLU 28 CO -0.00 1.00 -0.13 0.97 -0.73 0.00 0.00 179.01 180.11 1aoy h ILE 29 N 0.21 0.26 0.36 2.32 2.10 -1.06 -2.47 117.51 119.23 1aoy h ILE 29 Ca -0.00 -1.12 -0.02 0.00 1.08 0.00 0.00 64.86 64.80 1aoy h ILE 29 Cb 1.00 1.91 0.00 0.00 -1.09 0.00 0.00 36.82 38.64 1aoy h ILE 29 CO 0.09 0.13 -0.17 0.58 -1.08 0.00 0.00 178.15 177.69 1aoy h VAL 30 N 0.00 0.66 -0.74 2.19 2.07 -1.09 -1.45 116.25 117.89 1aoy h VAL 30 Ca -0.00 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1aoy h VAL 30 Cb 0.90 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1aoy h VAL 30 CO 0.02 0.03 0.38 0.00 0.02 0.00 0.00 177.57 178.01 1aoy h ALA 31 N 0.07 1.27 -0.61 1.67 0.00 -1.42 -2.24 119.26 117.99 1aoy h ALA 31 Ca -0.05 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1aoy h ALA 31 Cb 0.41 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1aoy h ALA 31 CO 0.08 0.58 0.40 0.00 0.00 0.00 0.00 179.25 180.31 1aoy h ALA 32 N 1.37 0.77 -0.13 0.00 0.00 -1.22 -1.50 119.26 118.55 1aoy h ALA 32 Ca 0.26 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1aoy h ALA 32 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1aoy h ALA 32 CO -0.04 0.21 -0.42 -0.07 0.00 0.00 0.00 179.25 178.92 1aoy h LEU 33 N 0.83 0.32 -1.34 0.00 3.38 -1.02 -2.16 115.31 115.32 1aoy h LEU 33 Ca 0.22 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1aoy h LEU 33 Cb -0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1aoy h LEU 33 CO -0.05 0.71 -0.14 1.56 0.09 0.00 0.00 178.44 180.61 1aoy h GLN 34 N 0.25 0.27 -0.09 1.13 4.20 -0.85 -0.16 115.11 119.86 1aoy h GLN 34 Ca 0.02 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 1aoy h GLN 34 Cb 0.86 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1aoy h GLN 34 CO 0.07 0.42 -0.59 0.93 -0.67 0.00 0.00 178.83 178.98 1aoy h GLU 35 N 0.25 0.28 0.31 1.46 5.08 -0.94 -3.34 114.58 117.69 1aoy h GLU 35 Ca 0.05 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1aoy h GLU 35 Cb 0.41 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1aoy h GLU 35 CO 0.02 0.79 -0.15 1.96 -1.00 0.00 0.00 179.01 180.64 1aoy h GLN 36 N 0.21 -0.41 0.00 2.33 4.20 -0.63 -3.48 115.11 117.34 1aoy h GLN 36 Ca -0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1aoy h GLN 36 Cb 1.10 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1aoy h GLN 36 CO 0.09 -0.27 0.00 0.41 -0.67 0.00 0.00 178.83 178.39 1aoy n GLY 37 N 0.11 0.00 2.76 3.46 0.00 -0.18 -5.11 105.19 106.24 1aoy n GLY 37 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 1.38 -0.14 1.61 0.40 -0.74 -4.99 117.98 115.50 1aoy s PHE 38 Ca 0.00 -1.23 0.16 0.00 -0.60 0.00 0.00 56.93 55.27 1aoy s PHE 38 Cb 0.00 -1.29 -0.24 0.00 0.51 0.00 0.00 43.02 42.00 1aoy s PHE 38 CO 0.00 -0.72 0.32 -3.47 0.70 0.00 0.00 175.22 172.05 1aoy n ASP 39 N 4.95 0.33 -1.76 1.36 2.03 -1.26 -3.37 116.55 118.83 1aoy n ASP 39 Ca -0.07 0.16 -0.07 0.00 0.52 0.00 0.00 54.79 55.33 1aoy n ASP 39 Cb 0.45 0.63 -0.08 0.00 -0.72 0.00 0.00 41.12 41.40 1aoy n ASP 39 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1aoy n ASN 40 N -2.84 5.33 -4.36 1.67 5.15 -1.26 -4.84 115.26 114.12 1aoy n ASN 40 Ca -0.25 -2.47 -0.31 0.00 -0.60 0.00 0.00 54.58 50.94 1aoy n ASN 40 Cb 1.09 -1.27 -0.15 0.00 -0.53 0.00 0.00 39.78 38.92 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 0.41 2.34 0.17 -1.44 1.09 -1.26 -5.13 121.20 117.38 1aoy s ILE 41 Ca 0.34 -1.05 0.02 0.00 -1.10 0.00 0.00 60.65 58.86 1aoy s ILE 41 Cb 0.17 -1.86 -0.05 0.00 -1.06 0.00 0.00 42.46 39.66 1aoy s ILE 41 CO -0.00 0.55 0.00 0.54 -0.10 0.00 0.00 174.94 175.93 1aoy s ASN 42 N -0.74 1.19 0.22 3.58 2.20 -1.26 -5.07 114.94 115.06 1aoy s ASN 42 Ca 0.11 -1.17 -0.09 0.00 -0.94 0.00 0.00 52.86 50.77 1aoy s ASN 42 Cb -0.10 0.12 0.24 0.00 -2.00 0.00 0.00 41.25 39.51 1aoy s ASN 42 CO -0.00 -0.57 1.85 -0.61 -2.94 0.00 0.00 177.10 174.83 1aoy h GLN 43 N 2.71 0.87 -0.13 3.55 4.15 -1.99 -1.99 115.11 122.27 1aoy h GLN 43 Ca -0.37 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.02 1aoy h GLN 43 Cb 1.20 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 1aoy h GLN 43 CO 0.63 0.57 -0.01 0.77 -1.93 0.00 0.00 178.83 178.86 1aoy h SER 44 N 0.89 -0.07 -0.80 -0.69 0.02 -1.99 -0.04 113.55 110.88 1aoy h SER 44 Ca 0.31 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.30 1aoy h SER 44 Cb 0.07 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1aoy h SER 44 CO -0.13 -0.01 0.53 0.50 -1.14 0.00 0.00 176.83 176.57 1aoy h LYS 45 N 0.04 1.05 -0.31 3.45 3.64 -1.92 0.16 116.57 122.68 1aoy h LYS 45 Ca 0.06 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1aoy h LYS 45 Cb 0.08 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1aoy h LYS 45 CO -0.11 0.70 -0.28 0.28 -2.27 0.00 0.00 179.45 177.76 1aoy h VAL 46 N 1.08 1.28 -0.16 2.00 2.07 -0.87 -0.30 116.25 121.35 1aoy h VAL 46 Ca 0.29 -1.39 -0.18 0.00 0.82 0.00 0.00 66.70 66.25 1aoy h VAL 46 Cb -0.12 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1aoy h VAL 46 CO -0.06 0.45 -0.62 -1.28 0.02 0.00 0.00 177.57 176.08 1aoy h SER 47 N 0.55 0.65 -0.37 0.57 0.87 -0.19 -1.31 113.55 114.31 1aoy h SER 47 Ca 0.07 -0.37 -0.05 0.00 -1.23 0.00 0.00 61.79 60.21 1aoy h SER 47 Cb 0.77 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1aoy h SER 47 CO 0.06 1.11 0.05 0.03 -0.53 0.00 0.00 176.83 177.55 1aoy h ARG 48 N 0.42 0.61 -0.31 2.24 3.08 -0.49 -2.07 114.38 117.85 1aoy h ARG 48 Ca -0.01 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 1aoy h ARG 48 Cb 1.18 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1aoy h ARG 48 CO 0.12 0.68 -0.18 0.52 -1.07 0.00 0.00 179.97 180.04 1aoy h MET 49 N 0.45 0.57 -0.70 0.04 2.86 -1.03 0.22 114.93 117.35 1aoy h MET 49 Ca 0.11 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1aoy h MET 49 Cb 0.37 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1aoy h MET 49 CO 0.01 0.73 0.39 -0.07 1.06 0.00 0.00 176.91 179.02 1aoy h LEU 50 N 0.51 0.87 -0.05 1.22 3.38 -1.04 0.15 115.31 120.36 1aoy h LEU 50 Ca 0.08 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1aoy h LEU 50 Cb 0.61 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1aoy h LEU 50 CO 0.04 0.71 -0.40 0.74 0.09 0.00 0.00 178.44 179.62 1aoy h THR 51 N 0.96 1.43 -0.31 0.22 2.02 -1.11 -0.01 112.91 116.11 1aoy h THR 51 Ca 0.25 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1aoy h THR 51 Cb 0.03 2.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 1aoy h THR 51 CO -0.04 0.53 0.20 0.50 0.37 0.00 0.00 175.52 177.09 1aoy h LYS 52 N -0.15 0.40 -0.00 6.66 3.11 -0.43 -2.15 116.57 124.02 1aoy h LYS 52 Ca -0.04 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1aoy h LYS 52 Cb 1.08 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 1aoy h LYS 52 CO 0.08 0.27 -0.01 1.19 -2.81 0.00 0.00 179.45 178.17 1aoy n PHE 53 N -4.88 0.00 -3.32 1.91 3.72 0.53 -4.94 117.46 110.48 1aoy n PHE 53 Ca -0.01 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.23 1aoy n PHE 53 Cb 0.03 -0.07 0.08 0.00 -0.94 0.00 0.00 39.48 38.57 1aoy n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aoy n GLY 54 N 1.10 -0.30 3.80 1.37 0.00 -0.81 -4.83 105.19 105.52 1aoy n GLY 54 Ca 0.21 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.32 3.02 0.06 4.61 0.00 -0.05 -4.31 121.76 121.77 1aoy s ALA 55 Ca 0.05 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.66 1aoy s ALA 55 Cb -0.02 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1aoy s ALA 55 CO 0.67 -0.12 -0.20 0.14 0.00 0.00 0.00 175.76 176.24 1aoy s VAL 56 N -1.88 1.65 -0.21 0.00 -7.23 0.09 -4.91 120.40 107.91 1aoy s VAL 56 Ca 0.61 -1.31 -0.16 0.00 -1.81 0.00 0.00 61.98 59.31 1aoy s VAL 56 Cb -0.17 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 1aoy s VAL 56 CO 0.21 0.10 0.41 -0.13 -0.31 0.00 0.00 175.10 175.38 1aoy s ARG 57 N -1.44 4.16 0.32 4.82 0.52 -1.26 -0.53 118.95 125.54 1aoy s ARG 57 Ca 0.07 0.20 -0.14 0.00 -0.52 0.00 0.00 55.73 55.34 1aoy s ARG 57 Cb -0.09 -3.55 0.02 0.00 0.52 0.00 0.00 34.95 31.85 1aoy s ARG 57 CO 0.03 -0.07 0.65 -0.08 0.02 0.00 0.00 175.30 175.84 1aoy s THR 58 N 1.42 0.00 0.17 0.02 -1.32 -0.12 -4.90 115.64 110.90 1aoy s THR 58 Ca 0.19 -1.20 -0.30 0.00 -1.21 0.00 0.00 61.69 59.17 1aoy s THR 58 Cb -0.15 -2.45 -0.07 0.00 -1.51 0.00 0.00 72.50 68.32 1aoy s THR 58 CO 0.08 0.00 1.11 -0.13 -2.21 0.00 0.00 174.62 173.47 1aoy s ARG 59 N -3.26 4.57 0.00 7.08 0.52 -1.26 -0.22 118.95 126.38 1aoy s ARG 59 Ca 0.18 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 57.13 1aoy s ARG 59 Cb -0.04 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.16 1aoy s ARG 59 CO 0.11 0.04 0.00 0.27 0.02 0.00 0.00 175.30 175.74 1aoy n ASN 60 N 2.48 0.00 0.21 0.23 0.23 -0.64 -4.90 115.26 112.87 1aoy n ASN 60 Ca 0.03 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.17 1aoy n ASN 60 Cb 0.46 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.55 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 -1.31 0.98 -1.58 -2.53 0.00 -1.89 -3.31 119.26 109.61 1aoy h ALA 61 Ca 0.00 -0.24 -0.58 0.00 0.00 0.00 0.00 54.91 54.09 1aoy h ALA 61 Cb 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 17.33 1aoy h ALA 61 CO 0.00 0.33 -0.74 1.63 0.00 0.00 0.00 179.25 180.47 1aoy n LYS 62 N -3.38 3.31 -3.54 0.00 5.02 -1.26 -4.97 118.16 113.35 1aoy n LYS 62 Ca 0.00 -4.49 -0.24 0.00 -2.02 0.00 0.00 58.31 51.56 1aoy n LYS 62 Cb 0.47 -2.21 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 1aoy n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aoy n MET 63 N -0.44 -2.32 -4.38 1.97 0.00 -1.25 -4.95 117.12 105.76 1aoy n MET 63 Ca 0.37 0.22 -0.34 0.00 0.00 0.00 0.00 57.70 57.95 1aoy n MET 63 Cb 0.64 -4.82 -0.12 0.00 0.00 0.00 0.00 33.22 28.92 1aoy n MET 63 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1aoy s GLU 64 N -6.16 3.61 -0.51 3.17 2.02 -1.26 -4.86 118.70 114.72 1aoy s GLU 64 Ca 0.44 -0.50 -0.28 0.00 0.02 0.00 0.00 54.97 54.65 1aoy s GLU 64 Cb -0.25 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.07 1aoy s GLU 64 CO 0.54 0.30 1.51 -1.64 0.02 0.00 0.00 175.26 175.99 1aoy s MET 65 N 0.22 3.28 0.16 1.61 -1.94 -1.26 -1.62 119.30 119.75 1aoy s MET 65 Ca -0.02 0.69 0.05 0.00 -1.71 0.00 0.00 55.69 54.70 1aoy s MET 65 Cb -0.14 -4.14 -0.05 0.00 2.01 0.00 0.00 34.83 32.52 1aoy s MET 65 CO 0.03 -1.94 -0.10 0.14 -0.01 0.00 0.00 175.02 173.14 1aoy s VAL 66 N 6.37 1.20 -0.02 -6.03 -7.23 0.69 -4.49 120.40 110.90 1aoy s VAL 66 Ca 0.59 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.39 1aoy s VAL 66 Cb -0.13 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 1aoy s VAL 66 CO 0.27 -0.70 1.12 -0.31 -0.31 0.00 0.00 175.10 175.17 1aoy s TYR 67 N -3.31 3.42 0.23 2.82 2.02 0.64 -0.95 117.35 122.22 1aoy s TYR 67 Ca 0.18 1.41 0.00 0.00 -0.37 0.00 0.00 57.07 58.29 1aoy s TYR 67 Cb 0.03 -3.32 -0.04 0.00 -0.40 0.00 0.00 41.96 38.23 1aoy s TYR 67 CO 0.02 -0.84 0.12 0.00 -1.57 0.00 0.00 175.55 173.28 1aoy s LEU 69 N -3.23 4.15 0.00 0.00 2.96 -1.26 -0.73 118.68 120.57 1aoy s LEU 69 Ca 0.39 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 1aoy s LEU 69 Cb 0.07 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.19 1aoy s LEU 69 CO 0.13 0.23 0.00 -2.65 -1.32 0.00 0.00 176.35 172.74 1aoy n PRO 70 N 0.80 2.66 -1.52 0.98 -0.02 -1.26 -4.69 135.00 131.94 1aoy n PRO 70 Ca -0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.98 1aoy n PRO 70 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.99 1aoy n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aoy n ALA 71 N -3.00 5.66 -3.26 3.55 0.00 -1.26 -4.64 120.51 117.57 1aoy n ALA 71 Ca 0.00 -3.65 -0.26 0.00 0.00 0.00 0.00 53.44 49.53 1aoy n ALA 71 Cb 0.00 -3.49 0.03 0.00 0.00 0.00 0.00 19.45 15.98 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 5.60 -2.08 -2.27 0.00 -0.58 -1.26 -4.81 120.64 115.23 1aoy n GLU 72 Ca 0.57 1.68 -0.33 0.00 -0.42 0.00 0.00 57.16 58.66 1aoy n GLU 72 Cb 0.35 -3.55 -0.04 0.00 -0.57 0.00 0.00 31.44 27.63 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 -2.64 3.32 0.00 -4.62 0.20 -1.26 -4.56 118.68 109.11 1aoy s LEU 73 Ca 0.31 -1.14 0.00 0.00 0.69 0.00 0.00 54.13 53.99 1aoy s LEU 73 Cb -0.05 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.14 1aoy s LEU 73 CO 0.83 -2.23 0.00 0.61 -0.29 0.00 0.00 176.35 175.27 1aoy n GLY 74 N 6.70 -1.97 3.26 7.98 0.00 -1.26 -5.11 105.19 114.79 1aoy n GLY 74 Ca 0.38 0.94 -0.14 0.00 0.00 0.00 0.00 46.02 47.20 1aoy n GLY 74 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aoy s VAL 75 N 0.00 1.07 -0.90 1.61 -7.23 -1.26 -5.10 120.40 108.60 1aoy s VAL 75 Ca 0.00 -2.04 -0.25 0.00 -1.81 0.00 0.00 61.98 57.88 1aoy s VAL 75 Cb 0.00 -1.94 0.03 0.00 0.56 0.00 0.00 36.38 35.02 1aoy s VAL 75 CO 0.00 -0.66 1.49 -2.84 -0.31 0.00 0.00 175.10 172.78 1aoy s PRO 76 N -3.79 3.27 -0.17 4.82 0.02 -1.26 -4.98 135.00 132.92 1aoy s PRO 76 Ca 0.19 -0.64 -0.06 0.00 0.02 0.00 0.00 61.00 60.51 1aoy s PRO 76 Cb 0.04 -4.92 -0.04 0.00 0.02 0.00 0.00 34.50 29.60 1aoy s PRO 76 CO 0.02 -2.38 0.04 -0.08 -0.33 0.00 0.00 177.00 174.27 1aoy s THR 77 N 6.14 4.58 0.00 0.99 -1.32 -1.26 -5.35 115.64 119.42 1aoy s THR 77 Ca 0.47 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 1aoy s THR 77 Cb -0.04 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 1aoy s THR 77 CO 0.01 0.49 0.00 0.35 -2.21 0.00 0.00 174.62 173.25