#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 0.66 -0.80 0.03 1.81 -1.26 -4.99 118.95 114.40 1aoy s ARG 2 Ca 0.00 0.19 -0.02 0.00 -1.72 0.00 0.00 55.73 54.18 1aoy s ARG 2 Cb 0.00 0.31 -0.02 0.00 -0.45 0.00 0.00 34.95 34.78 1aoy s ARG 2 CO 0.00 -0.16 0.73 0.43 -0.68 0.00 0.00 175.30 175.63 1aoy n SER 3 N 1.84 -7.14 -3.67 0.23 7.64 -1.26 -5.05 113.62 106.20 1aoy n SER 3 Ca -0.18 -0.27 -0.11 0.00 1.01 0.00 0.00 58.87 59.32 1aoy n SER 3 Cb 0.57 -5.06 -0.12 0.00 -1.01 0.00 0.00 64.21 58.59 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 -3.09 -0.03 -0.47 6.43 0.01 -1.26 -5.09 113.70 110.20 1aoy s SER 4 Ca 0.15 0.76 0.07 0.00 1.31 0.00 0.00 55.95 58.23 1aoy s SER 4 Cb -0.02 0.89 0.18 0.00 0.21 0.00 0.00 66.02 67.28 1aoy s SER 4 CO 0.71 -0.22 0.65 0.00 0.41 0.00 0.00 173.24 174.78 1aoy s ALA 5 N 2.21 -1.76 0.04 1.44 0.00 -1.26 -5.06 121.76 117.37 1aoy s ALA 5 Ca -0.02 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.16 1aoy s ALA 5 Cb -0.11 -2.58 -0.17 0.00 0.00 0.00 0.00 23.12 20.25 1aoy s ALA 5 CO -0.10 -2.21 1.38 0.87 0.00 0.00 0.00 175.76 175.70 1aoy h LYS 6 N 5.68 -0.79 0.00 0.00 1.57 -2.03 -3.28 116.57 117.72 1aoy h LYS 6 Ca 0.08 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1aoy h LYS 6 Cb 1.11 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1aoy h LYS 6 CO 0.08 -0.48 -0.20 0.94 -0.57 0.00 0.00 179.45 179.22 1aoy n GLN 7 N -5.38 0.11 -0.27 3.15 -0.06 -1.26 -3.80 117.38 109.87 1aoy n GLN 7 Ca -0.12 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 1aoy n GLN 7 Cb 0.35 -1.60 0.00 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 -1.78 0.99 0.00 3.69 1.02 -1.24 -2.42 120.64 120.90 1aoy n GLU 8 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1aoy n GLU 8 Cb 0.38 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 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 1.06 0.08 -0.10 3.49 1.02 -1.25 -4.84 120.64 120.11 1aoy n GLU 9 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1aoy n GLU 9 Cb 0.49 -0.37 0.09 0.00 -0.02 0.00 0.00 31.44 31.63 1aoy n GLU 9 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1aoy h LEU 10 N 0.00 0.80 0.15 -4.62 5.85 -1.64 -2.47 115.31 113.39 1aoy h LEU 10 Ca 0.00 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1aoy h LEU 10 Cb 0.00 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1aoy h LEU 10 CO 0.00 0.99 -0.07 0.58 -0.34 0.00 0.00 178.44 179.59 1aoy h VAL 11 N 0.70 0.91 -0.70 1.05 2.07 -1.90 -0.71 116.25 117.67 1aoy h VAL 11 Ca 0.10 -1.12 0.12 0.00 0.82 0.00 0.00 66.70 66.62 1aoy h VAL 11 Cb 0.71 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 1aoy h VAL 11 CO 0.05 0.23 0.28 0.07 0.02 0.00 0.00 177.57 178.23 1aoy h LYS 12 N -0.82 0.45 -0.20 1.57 5.09 -1.88 0.21 116.57 120.98 1aoy h LYS 12 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.68 1aoy h LYS 12 Cb 0.53 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.75 1aoy h LYS 12 CO 0.03 0.29 0.09 0.00 -2.09 0.00 0.00 179.45 177.78 1aoy h ALA 13 N 1.49 0.26 0.28 0.07 0.00 -1.51 -1.95 119.26 117.90 1aoy h ALA 13 Ca 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1aoy h ALA 13 Cb 0.50 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1aoy h ALA 13 CO -0.35 -0.16 -0.47 0.35 0.00 0.00 0.00 179.25 178.62 1aoy h PHE 14 N 0.18 -1.34 -0.78 0.00 3.57 0.25 -0.21 116.94 118.61 1aoy h PHE 14 Ca 0.07 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.76 1aoy h PHE 14 Cb 0.15 0.55 -0.11 0.00 2.79 0.00 0.00 35.95 39.33 1aoy h PHE 14 CO -0.02 -0.58 0.28 0.87 -2.23 0.00 0.00 178.31 176.63 1aoy h LYS 15 N -0.80 0.36 -0.49 1.11 1.79 -1.03 -1.56 116.57 115.95 1aoy h LYS 15 Ca -0.03 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1aoy h LYS 15 Cb 0.74 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 1aoy h LYS 15 CO -0.16 0.24 0.19 0.00 -1.08 0.00 0.00 179.45 178.64 1aoy h ALA 16 N 1.61 0.64 -0.56 3.86 0.00 -0.93 -0.92 119.26 122.95 1aoy h ALA 16 Ca 0.45 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.27 1aoy h ALA 16 Cb 0.75 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1aoy h ALA 16 CO -0.47 0.26 0.25 -0.07 0.00 0.00 0.00 179.25 179.22 1aoy h LEU 17 N 0.65 0.31 0.04 0.00 3.38 -0.04 -0.88 115.31 118.78 1aoy h LEU 17 Ca 0.16 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1aoy h LEU 17 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1aoy h LEU 17 CO -0.01 0.21 -0.02 -0.07 0.09 0.00 0.00 178.44 178.64 1aoy h LEU 18 N 0.47 -0.04 -2.10 1.67 3.38 -1.32 -3.18 115.31 114.18 1aoy h LEU 18 Ca 0.27 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1aoy h LEU 18 Cb 0.25 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1aoy h LEU 18 CO -0.23 0.34 -0.05 0.11 0.09 0.00 0.00 178.44 178.70 1aoy h LYS 19 N -0.43 0.00 0.00 1.13 1.57 -0.94 -0.41 116.57 117.48 1aoy h LYS 19 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1aoy h LYS 19 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1aoy h LYS 19 CO 0.01 0.05 0.00 0.93 -0.57 0.00 0.00 179.45 179.87 1aoy h GLU 20 N 0.00 0.00 -5.06 3.15 5.08 -1.17 -3.48 114.58 113.10 1aoy h GLU 20 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1aoy h GLU 20 Cb 0.10 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.45 1aoy h GLU 20 CO 0.01 0.00 -0.40 0.39 -1.00 0.00 0.00 179.01 178.01 1aoy n GLU 21 N -2.48 -1.56 -1.22 2.33 1.02 -0.16 -5.00 120.64 113.58 1aoy n GLU 21 Ca 0.04 1.03 0.03 0.00 -0.02 0.00 0.00 57.16 58.23 1aoy n GLU 21 Cb 0.39 -5.18 0.01 0.00 -0.02 0.00 0.00 31.44 26.64 1aoy n GLU 21 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1aoy n LYS 22 N -2.37 0.00 -3.70 3.49 2.85 -1.25 -4.87 118.16 112.31 1aoy n LYS 22 Ca -0.03 -1.69 -0.15 0.00 -1.05 0.00 0.00 58.31 55.39 1aoy n LYS 22 Cb 0.56 -0.11 -0.15 0.00 -0.65 0.00 0.00 35.03 34.68 1aoy n LYS 22 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1aoy s PHE 23 N 0.00 -0.23 -0.23 5.58 0.08 -1.26 -5.00 117.98 116.91 1aoy s PHE 23 Ca 0.24 0.66 0.22 0.00 0.12 0.00 0.00 56.93 58.17 1aoy s PHE 23 Cb 0.27 -0.13 -0.29 0.00 -0.57 0.00 0.00 43.02 42.30 1aoy s PHE 23 CO -0.12 -0.25 0.59 -1.13 -0.10 0.00 0.00 175.22 174.21 1aoy n SER 24 N 4.87 0.23 -4.20 1.36 3.41 -1.26 0.32 113.62 118.35 1aoy n SER 24 Ca -0.14 -0.17 -0.12 0.00 -0.26 0.00 0.00 58.87 58.19 1aoy n SER 24 Cb 0.51 1.72 -0.10 0.00 -0.26 0.00 0.00 64.21 66.08 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 -4.27 1.08 0.05 4.04 1.04 -1.26 -4.71 113.70 109.67 1aoy s SER 25 Ca -0.05 -1.11 -0.29 0.00 0.48 0.00 0.00 55.95 54.99 1aoy s SER 25 Cb 0.14 0.13 -0.17 0.00 0.10 0.00 0.00 66.02 66.22 1aoy s SER 25 CO 0.89 -0.55 1.49 1.56 0.98 0.00 0.00 173.24 177.62 1aoy h GLN 26 N 2.82 -0.59 -1.00 4.02 7.50 -1.96 -3.03 115.11 122.87 1aoy h GLN 26 Ca -0.36 0.04 0.29 0.00 0.50 0.00 0.00 58.65 59.12 1aoy h GLN 26 Cb 1.19 0.14 -0.04 0.00 0.05 0.00 0.00 27.48 28.81 1aoy h GLN 26 CO 0.63 -0.34 0.78 0.78 -1.50 0.00 0.00 178.83 179.18 1aoy h GLY 27 N -0.74 0.00 0.71 3.46 0.00 -1.96 0.31 103.07 104.85 1aoy h GLY 27 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1aoy h GLY 27 CO 0.10 0.00 -0.10 -2.09 0.00 0.00 0.00 176.54 174.46 1aoy h GLU 28 N 0.00 0.29 0.00 4.80 4.81 -1.96 -2.58 114.58 119.94 1aoy h GLU 28 Ca 0.48 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1aoy h GLU 28 Cb 2.02 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.40 1aoy h GLU 28 CO -0.01 0.66 0.00 0.97 -0.73 0.00 0.00 179.01 179.91 1aoy h ILE 29 N -0.09 0.00 0.33 2.32 2.10 -1.03 -2.37 117.51 118.78 1aoy h ILE 29 Ca 0.02 -0.75 -0.02 0.00 1.08 0.00 0.00 64.86 65.20 1aoy h ILE 29 Cb 0.59 1.73 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 1aoy h ILE 29 CO 0.03 0.00 -0.16 0.58 -1.08 0.00 0.00 178.15 177.52 1aoy h VAL 30 N 0.00 0.69 -0.42 2.19 2.07 -0.98 -2.04 116.25 117.75 1aoy h VAL 30 Ca 0.00 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1aoy h VAL 30 Cb 0.79 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1aoy h VAL 30 CO 0.00 0.08 0.05 0.00 0.02 0.00 0.00 177.57 177.72 1aoy h ALA 31 N -0.08 1.30 -0.06 1.67 0.00 -1.45 -2.04 119.26 118.59 1aoy h ALA 31 Ca -0.05 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1aoy h ALA 31 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1aoy h ALA 31 CO 0.07 0.48 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 1aoy h ALA 32 N 1.43 0.05 0.00 0.00 0.00 -1.31 -1.59 119.26 117.84 1aoy h ALA 32 Ca 0.14 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1aoy h ALA 32 Cb 0.31 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1aoy h ALA 32 CO 0.01 -0.48 -0.37 -0.07 0.00 0.00 0.00 179.25 178.34 1aoy h LEU 33 N 0.02 0.00 -0.70 0.00 3.38 -1.26 -2.06 115.31 114.69 1aoy h LEU 33 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1aoy h LEU 33 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1aoy h LEU 33 CO -0.05 0.37 0.31 1.56 0.09 0.00 0.00 178.44 180.72 1aoy h GLN 34 N 0.00 1.03 -0.17 1.13 4.20 -0.93 -2.17 115.11 118.20 1aoy h GLN 34 Ca -0.00 -0.17 -0.13 0.00 0.06 0.00 0.00 58.65 58.41 1aoy h GLN 34 Cb 0.94 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1aoy h GLN 34 CO 0.05 0.83 -0.46 0.93 -0.67 0.00 0.00 178.83 179.51 1aoy h GLU 35 N 0.99 0.42 0.07 1.46 5.08 -1.09 -3.25 114.58 118.27 1aoy h GLU 35 Ca 0.24 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1aoy h GLU 35 Cb 0.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1aoy h GLU 35 CO -0.03 0.80 -0.06 1.96 -1.00 0.00 0.00 179.01 180.68 1aoy h GLN 36 N 0.34 -0.14 0.00 2.33 1.08 -0.85 -3.46 115.11 114.41 1aoy h GLN 36 Ca 0.02 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1aoy h GLN 36 Cb 0.94 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1aoy h GLN 36 CO 0.08 -0.09 0.00 0.41 -0.95 0.00 0.00 178.83 178.28 1aoy n GLY 37 N -1.17 0.00 3.11 3.46 0.00 -0.87 -5.11 105.19 104.61 1aoy n GLY 37 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 3.23 -0.20 1.61 0.08 -0.89 -4.95 117.98 116.86 1aoy s PHE 38 Ca 0.00 -2.14 0.22 0.00 0.12 0.00 0.00 56.93 55.13 1aoy s PHE 38 Cb 0.00 -1.98 -0.06 0.00 -0.57 0.00 0.00 43.02 40.41 1aoy s PHE 38 CO 0.00 -0.85 0.94 -3.47 -0.10 0.00 0.00 175.22 171.74 1aoy n ASP 39 N 4.50 0.72 -3.08 1.36 2.03 -1.26 -4.11 116.55 116.72 1aoy n ASP 39 Ca -0.14 0.28 -0.34 0.00 0.52 0.00 0.00 54.79 55.11 1aoy n ASP 39 Cb 0.43 0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 41.45 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 -2.63 7.43 -4.19 1.67 4.05 -1.26 -4.91 115.26 115.42 1aoy n ASN 40 Ca -0.01 -3.12 -0.11 0.00 0.45 0.00 0.00 54.58 51.78 1aoy n ASN 40 Cb 0.58 -1.32 -0.10 0.00 1.23 0.00 0.00 39.78 40.16 1aoy n ASN 40 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1aoy s ILE 41 N -1.36 0.57 -0.00 -1.44 -1.09 -1.26 -5.07 121.20 111.54 1aoy s ILE 41 Ca 0.57 -1.94 -0.29 0.00 -2.23 0.00 0.00 60.65 56.76 1aoy s ILE 41 Cb 0.26 -1.87 0.11 0.00 -1.58 0.00 0.00 42.46 39.37 1aoy s ILE 41 CO -0.14 -0.69 1.27 0.54 -1.23 0.00 0.00 174.94 174.69 1aoy s ASN 42 N -3.08 -0.03 0.22 3.58 2.20 -1.26 -5.00 114.94 111.57 1aoy s ASN 42 Ca 0.17 -0.20 -0.07 0.00 -0.94 0.00 0.00 52.86 51.82 1aoy s ASN 42 Cb 0.06 0.18 0.30 0.00 -2.00 0.00 0.00 41.25 39.79 1aoy s ASN 42 CO -0.01 -0.35 1.81 -0.61 -2.94 0.00 0.00 177.10 175.00 1aoy h GLN 43 N 2.00 0.72 -0.50 3.55 4.15 -1.96 -1.91 115.11 121.16 1aoy h GLN 43 Ca -0.27 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.06 1aoy h GLN 43 Cb 1.20 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 1aoy h GLN 43 CO 0.30 0.47 0.13 0.77 -1.93 0.00 0.00 178.83 178.58 1aoy h SER 44 N 0.74 0.74 -0.13 -0.69 0.02 -1.98 0.33 113.55 112.57 1aoy h SER 44 Ca 0.34 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1aoy h SER 44 Cb 0.25 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1aoy h SER 44 CO -0.21 0.77 -0.01 0.50 -1.14 0.00 0.00 176.83 176.74 1aoy h LYS 45 N 0.68 0.37 0.11 3.45 3.64 -1.84 0.10 116.57 123.08 1aoy h LYS 45 Ca 0.16 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.28 1aoy h LYS 45 Cb 0.31 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1aoy h LYS 45 CO -0.00 0.41 -0.82 0.28 -2.27 0.00 0.00 179.45 177.04 1aoy h VAL 46 N 0.36 1.46 -0.36 2.00 2.07 -1.06 -2.09 116.25 118.63 1aoy h VAL 46 Ca 0.08 -2.41 -0.10 0.00 0.82 0.00 0.00 66.70 65.09 1aoy h VAL 46 Cb 0.26 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 1aoy h VAL 46 CO 0.01 0.69 -0.19 0.77 0.02 0.00 0.00 177.57 178.87 1aoy h SER 47 N -0.22 0.68 -0.32 0.57 4.64 -0.78 -1.11 113.55 117.01 1aoy h SER 47 Ca -0.13 -0.22 -0.13 0.00 -0.47 0.00 0.00 61.79 60.83 1aoy h SER 47 Cb 1.60 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1aoy h SER 47 CO 0.16 0.87 -0.32 0.03 -0.87 0.00 0.00 176.83 176.69 1aoy h ARG 48 N 0.60 0.79 -0.46 4.77 3.08 -0.89 -2.47 114.38 119.81 1aoy h ARG 48 Ca 0.09 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.65 1aoy h ARG 48 Cb 0.66 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1aoy h ARG 48 CO 0.05 1.05 -0.03 0.52 -1.07 0.00 0.00 179.97 180.49 1aoy h MET 49 N 0.57 0.77 -0.62 0.04 2.86 -1.23 0.33 114.93 117.64 1aoy h MET 49 Ca 0.05 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1aoy h MET 49 Cb 0.90 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 1aoy h MET 49 CO 0.08 0.79 0.37 -0.07 1.06 0.00 0.00 176.91 179.15 1aoy h LEU 50 N 0.71 0.75 -0.16 1.22 3.38 -1.12 0.11 115.31 120.21 1aoy h LEU 50 Ca 0.14 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1aoy h LEU 50 Cb 0.48 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1aoy h LEU 50 CO 0.02 0.59 -0.28 0.74 0.09 0.00 0.00 178.44 179.60 1aoy h THR 51 N 0.84 1.35 -0.06 0.22 2.02 -1.10 -0.26 112.91 115.92 1aoy h THR 51 Ca 0.22 -1.52 0.02 0.00 0.77 0.00 0.00 66.41 65.90 1aoy h THR 51 Cb -0.02 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1aoy h THR 51 CO -0.04 0.46 -0.05 0.50 0.37 0.00 0.00 175.52 176.76 1aoy h LYS 52 N 0.10 -0.05 0.00 6.66 3.11 -0.15 -2.68 116.57 123.56 1aoy h LYS 52 Ca 0.01 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.75 1aoy h LYS 52 Cb 0.87 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.09 1aoy h LYS 52 CO 0.06 -0.04 -0.49 0.74 -2.81 0.00 0.00 179.45 176.92 1aoy h PHE 53 N -0.06 0.00 -1.70 1.91 0.04 -0.85 -3.48 116.94 112.79 1aoy h PHE 53 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1aoy h PHE 53 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1aoy h PHE 53 CO -0.15 0.49 0.00 0.41 -0.60 0.00 0.00 178.31 178.46 1aoy n GLY 54 N 0.63 0.53 3.82 -1.45 0.00 -0.41 -4.97 105.19 103.34 1aoy n GLY 54 Ca 0.00 -0.38 -0.33 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 -2.61 3.05 0.25 4.61 0.00 -0.24 -4.44 121.76 122.37 1aoy s ALA 55 Ca 0.00 0.40 0.08 0.00 0.00 0.00 0.00 51.96 52.45 1aoy s ALA 55 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1aoy s ALA 55 CO 0.00 0.13 -0.13 0.14 0.00 0.00 0.00 175.76 175.90 1aoy s VAL 56 N -2.16 1.89 -0.02 0.00 -7.23 0.03 -4.92 120.40 107.99 1aoy s VAL 56 Ca 0.62 -2.23 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1aoy s VAL 56 Cb -0.09 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1aoy s VAL 56 CO 0.13 -0.46 0.09 -0.13 -0.31 0.00 0.00 175.10 174.43 1aoy s ARG 57 N -3.64 3.12 0.30 4.82 0.52 -1.26 0.24 118.95 123.06 1aoy s ARG 57 Ca 0.26 -0.44 -0.20 0.00 -0.52 0.00 0.00 55.73 54.84 1aoy s ARG 57 Cb -0.00 -2.90 0.04 0.00 0.52 0.00 0.00 34.95 32.61 1aoy s ARG 57 CO 0.10 0.66 0.77 -0.08 0.02 0.00 0.00 175.30 176.77 1aoy s THR 58 N -1.17 0.00 0.14 0.02 -1.32 0.04 -4.93 115.64 108.42 1aoy s THR 58 Ca 0.22 -0.97 -0.30 0.00 -1.21 0.00 0.00 61.69 59.43 1aoy s THR 58 Cb -0.12 -2.31 -0.07 0.00 -1.51 0.00 0.00 72.50 68.49 1aoy s THR 58 CO 0.13 0.00 0.96 -0.60 -2.21 0.00 0.00 174.62 172.90 1aoy s ARG 59 N -3.31 4.73 0.00 7.08 3.52 -1.26 -0.66 118.95 129.06 1aoy s ARG 59 Ca 0.13 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 1aoy s ARG 59 Cb -0.05 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1aoy s ARG 59 CO 0.08 0.28 0.00 0.27 -0.81 0.00 0.00 175.30 175.12 1aoy n ASN 60 N 2.48 0.28 -0.05 -2.12 0.23 -0.99 -4.91 115.26 110.19 1aoy n ASN 60 Ca 0.01 -0.26 0.10 0.00 -0.53 0.00 0.00 54.58 53.90 1aoy n ASN 60 Cb 0.49 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.67 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 -0.38 1.95 -0.59 -2.53 0.00 -1.91 -2.01 119.26 113.78 1aoy h ALA 61 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1aoy h ALA 61 Cb 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 1aoy h ALA 61 CO 0.00 -0.05 0.16 1.63 0.00 0.00 0.00 179.25 180.99 1aoy n LYS 62 N -4.47 3.46 -1.81 0.00 5.02 -1.26 -4.95 118.16 114.15 1aoy n LYS 62 Ca 0.08 -3.06 -0.16 0.00 -2.02 0.00 0.00 58.31 53.14 1aoy n LYS 62 Cb 0.29 -2.11 -0.04 0.00 -0.02 0.00 0.00 35.03 33.15 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 -0.28 -1.19 -3.66 1.97 2.81 -0.76 -5.00 117.12 111.01 1aoy n MET 63 Ca 0.35 0.96 -0.37 0.00 -1.81 0.00 0.00 57.70 56.83 1aoy n MET 63 Cb 1.24 -5.23 -0.06 0.00 -0.71 0.00 0.00 33.22 28.46 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 -3.95 3.71 -0.98 0.03 2.02 -1.26 -4.78 118.70 113.49 1aoy s GLU 64 Ca 0.00 0.15 -0.23 0.00 0.02 0.00 0.00 54.97 54.91 1aoy s GLU 64 Cb 0.00 -3.16 0.02 0.00 0.10 0.00 0.00 34.13 31.09 1aoy s GLU 64 CO 0.00 0.70 1.59 -1.64 0.02 0.00 0.00 175.26 175.93 1aoy s MET 65 N -1.27 3.29 0.21 1.61 -1.94 -1.26 -2.33 119.30 117.60 1aoy s MET 65 Ca 0.23 -0.87 0.09 0.00 -1.71 0.00 0.00 55.69 53.43 1aoy s MET 65 Cb -0.14 -5.26 -0.04 0.00 2.01 0.00 0.00 34.83 31.40 1aoy s MET 65 CO 0.12 -2.54 -0.05 0.14 -0.01 0.00 0.00 175.02 172.67 1aoy s VAL 66 N 6.46 3.34 0.36 -6.03 -7.23 0.16 -4.49 120.40 112.97 1aoy s VAL 66 Ca 0.53 -1.73 -0.27 0.00 -1.81 0.00 0.00 61.98 58.70 1aoy s VAL 66 Cb -0.02 -2.71 -0.09 0.00 0.56 0.00 0.00 36.38 34.12 1aoy s VAL 66 CO -0.07 -0.21 1.20 -0.31 -0.31 0.00 0.00 175.10 175.40 1aoy s TYR 67 N -1.95 3.15 0.16 2.82 2.02 0.15 -0.78 117.35 122.92 1aoy s TYR 67 Ca 0.28 1.54 -0.15 0.00 -0.37 0.00 0.00 57.07 58.36 1aoy s TYR 67 Cb -0.08 -3.47 0.02 0.00 -0.40 0.00 0.00 41.96 38.04 1aoy s TYR 67 CO 0.17 -1.36 0.43 0.00 -1.57 0.00 0.00 175.55 173.23 1aoy s LEU 69 N -2.86 4.36 0.00 0.00 2.96 -1.26 -0.79 118.68 121.08 1aoy s LEU 69 Ca 0.08 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.76 1aoy s LEU 69 Cb 0.01 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.78 1aoy s LEU 69 CO -0.06 0.19 0.03 -0.81 -1.32 0.00 0.00 176.35 174.38 1aoy n PRO 70 N 0.98 0.00 -1.85 0.98 -0.04 -1.26 -4.77 135.00 129.04 1aoy n PRO 70 Ca -0.09 0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 63.37 1aoy n PRO 70 Cb 0.52 -0.83 0.02 0.00 -0.04 0.00 0.00 33.50 33.18 1aoy n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aoy s ALA 71 N -3.35 3.00 -1.31 0.55 0.00 -1.26 -3.82 121.76 115.57 1aoy s ALA 71 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1aoy s ALA 71 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1aoy s ALA 71 CO 0.00 -0.87 0.00 -0.85 0.00 0.00 0.00 175.76 174.04 1aoy n GLU 72 N -2.86 -1.86 0.00 0.00 0.28 -1.26 -4.91 120.64 110.03 1aoy n GLU 72 Ca 0.06 0.74 0.00 0.00 -0.16 0.00 0.00 57.16 57.80 1aoy n GLU 72 Cb 0.55 -5.24 0.00 0.00 1.43 0.00 0.00 31.44 28.18 1aoy n GLU 72 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1aoy n LEU 73 N -2.57 0.00 -2.73 -1.84 -0.00 -1.25 -5.11 117.00 103.50 1aoy n LEU 73 Ca -0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.77 1aoy n LEU 73 Cb 0.58 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.06 1aoy n LEU 73 CO 0.20 0.00 0.30 0.61 -0.00 0.00 0.00 177.39 178.51 1aoy n GLY 74 N 5.00 -0.22 3.04 -3.96 0.00 -1.26 -5.11 105.19 102.68 1aoy n GLY 74 Ca 0.00 0.29 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 0.52 -0.66 0.38 1.61 0.11 -1.26 -5.16 120.40 115.93 1aoy s VAL 75 Ca 0.29 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.10 1aoy s VAL 75 Cb 0.24 -0.80 -0.09 0.00 -1.53 0.00 0.00 36.38 34.20 1aoy s VAL 75 CO -0.19 -0.06 1.01 -2.16 -3.33 0.00 0.00 175.10 170.37 1aoy s PRO 76 N 2.60 4.28 0.30 1.54 0.04 -1.26 -5.06 135.00 137.45 1aoy s PRO 76 Ca 0.10 1.42 -0.09 0.00 0.04 0.00 0.00 61.00 62.47 1aoy s PRO 76 Cb -0.14 -2.57 -0.06 0.00 0.04 0.00 0.00 34.50 31.76 1aoy s PRO 76 CO -0.16 -0.02 0.62 -0.08 0.04 0.00 0.00 177.00 177.41 1aoy s THR 77 N -1.71 4.91 0.00 1.26 -1.32 -1.26 -5.30 115.64 112.22 1aoy s THR 77 Ca 0.56 0.39 0.00 0.00 -1.21 0.00 0.00 61.69 61.44 1aoy s THR 77 Cb -0.20 -3.69 0.00 0.00 -1.51 0.00 0.00 72.50 67.11 1aoy s THR 77 CO 0.25 -0.28 0.00 0.35 -2.21 0.00 0.00 174.62 172.73