#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoy n ARG 2 N 0.00 -1.88 -3.65 0.03 1.74 -1.26 -4.99 116.66 106.64 1aoy n ARG 2 Ca 0.00 0.97 -0.29 0.00 -0.77 0.00 0.00 57.85 57.76 1aoy n ARG 2 Cb 0.00 -5.54 -0.09 0.00 -1.02 0.00 0.00 32.46 25.81 1aoy n ARG 2 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1aoy n SER 3 N -2.76 3.60 -3.97 0.55 7.64 -1.26 -4.99 113.62 112.42 1aoy n SER 3 Ca -0.05 -3.31 -0.31 0.00 1.01 0.00 0.00 58.87 56.22 1aoy n SER 3 Cb 0.58 -0.78 -0.15 0.00 -1.01 0.00 0.00 64.21 62.85 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 -1.73 4.19 -0.11 6.43 0.01 -1.26 -4.65 113.70 116.58 1aoy s SER 4 Ca 0.31 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1aoy s SER 4 Cb 0.03 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.93 1aoy s SER 4 CO -0.09 -0.26 0.00 0.00 0.41 0.00 0.00 173.24 173.30 1aoy n ALA 5 N 4.55 -0.03 -2.43 1.44 0.00 -1.26 -5.06 120.51 117.72 1aoy n ALA 5 Ca -0.09 0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 1aoy n ALA 5 Cb 0.43 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 19.25 1aoy n ALA 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1aoy s LYS 6 N -3.22 2.62 0.00 0.00 1.02 -1.26 -5.01 119.74 113.88 1aoy s LYS 6 Ca 0.00 -1.40 0.05 0.00 0.02 0.00 0.00 55.97 54.64 1aoy s LYS 6 Cb 0.00 -2.40 0.32 0.00 -0.52 0.00 0.00 37.83 35.23 1aoy s LYS 6 CO 0.00 0.02 0.93 0.94 -0.92 0.00 0.00 175.35 176.31 1aoy n GLN 7 N -1.39 0.68 0.00 1.68 -0.06 -1.26 -3.20 117.38 113.83 1aoy n GLN 7 Ca -0.01 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.08 1aoy n GLN 7 Cb 0.61 -1.12 0.45 0.00 -4.06 0.00 0.00 30.24 26.11 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 -0.62 0.23 0.09 3.69 1.02 -1.26 -2.88 120.64 120.91 1aoy n GLU 8 Ca 0.04 0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 57.07 1aoy n GLU 8 Cb 0.02 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.79 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 0.43 -0.22 3.49 4.39 -1.93 -2.59 114.58 118.15 1aoy h GLU 9 Ca 0.00 -0.74 -0.06 0.00 0.34 0.00 0.00 59.36 58.91 1aoy h GLU 9 Cb 0.19 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1aoy h GLU 9 CO 0.00 1.35 -0.12 1.25 -1.16 0.00 0.00 179.01 180.33 1aoy h LEU 10 N 0.03 0.35 0.01 1.33 5.85 -1.81 -1.04 115.31 120.03 1aoy h LEU 10 Ca -0.29 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1aoy h LEU 10 Cb 2.04 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.98 1aoy h LEU 10 CO 0.20 0.50 -0.01 0.58 -0.34 0.00 0.00 178.44 179.38 1aoy h VAL 11 N 0.34 1.45 -0.41 1.05 2.07 -1.61 0.39 116.25 119.53 1aoy h VAL 11 Ca 0.07 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1aoy h VAL 11 Cb 0.42 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1aoy h VAL 11 CO 0.02 0.37 0.27 0.11 0.02 0.00 0.00 177.57 178.36 1aoy h LYS 12 N -0.65 0.55 -0.99 1.57 6.56 -1.43 -2.35 116.57 119.83 1aoy h LYS 12 Ca -0.00 -0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.56 1aoy h LYS 12 Cb 0.62 -0.12 -0.05 0.00 -0.57 0.00 0.00 32.23 32.11 1aoy h LYS 12 CO 0.00 0.37 0.65 0.00 -2.06 0.00 0.00 179.45 178.42 1aoy h ALA 13 N 1.14 1.30 -0.07 3.86 0.00 -1.24 -2.49 119.26 121.76 1aoy h ALA 13 Ca 0.15 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1aoy h ALA 13 Cb -0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.31 1aoy h ALA 13 CO -0.03 0.65 -0.10 0.35 0.00 0.00 0.00 179.25 180.12 1aoy h PHE 14 N 1.34 -0.25 -0.71 0.00 3.57 -0.39 -0.03 116.94 120.47 1aoy h PHE 14 Ca 0.36 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1aoy h PHE 14 Cb -0.16 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1aoy h PHE 14 CO -0.00 -0.15 0.47 0.87 -2.23 0.00 0.00 178.31 177.26 1aoy h LYS 15 N -0.14 0.92 -0.28 1.11 6.56 -1.29 -2.71 116.57 120.74 1aoy h LYS 15 Ca 0.06 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 1aoy h LYS 15 Cb 0.22 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1aoy h LYS 15 CO -0.15 0.61 0.15 0.00 -2.06 0.00 0.00 179.45 177.99 1aoy h ALA 16 N 1.26 0.37 -0.55 3.86 0.00 -1.04 -0.41 119.26 122.75 1aoy h ALA 16 Ca 0.26 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1aoy h ALA 16 Cb -0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1aoy h ALA 16 CO -0.06 -0.09 0.21 -0.07 0.00 0.00 0.00 179.25 179.24 1aoy h LEU 17 N 0.33 0.23 0.34 0.00 3.38 -0.83 -0.78 115.31 117.98 1aoy h LEU 17 Ca 0.10 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1aoy h LEU 17 Cb 0.09 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1aoy h LEU 17 CO -0.01 0.15 -0.16 -0.07 0.09 0.00 0.00 178.44 178.43 1aoy h LEU 18 N 0.40 -0.39 -2.12 1.67 3.38 -1.34 -3.22 115.31 113.69 1aoy h LEU 18 Ca 0.26 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1aoy h LEU 18 Cb 0.29 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1aoy h LEU 18 CO -0.26 -0.04 0.22 0.11 0.09 0.00 0.00 178.44 178.56 1aoy h LYS 19 N -0.77 0.00 0.00 1.13 1.57 -0.86 -0.14 116.57 117.50 1aoy h LYS 19 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1aoy h LYS 19 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1aoy h LYS 19 CO 0.08 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.89 1aoy h GLU 20 N 0.00 0.00 -4.85 3.15 4.39 -1.15 -3.46 114.58 112.66 1aoy h GLU 20 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1aoy h GLU 20 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1aoy h GLU 20 CO -0.00 0.00 -0.45 0.39 -1.16 0.00 0.00 179.01 177.79 1aoy n GLU 21 N -2.56 -2.05 0.08 2.33 1.02 -0.06 -5.02 120.64 114.38 1aoy n GLU 21 Ca 0.02 1.89 0.00 0.00 -0.02 0.00 0.00 57.16 59.05 1aoy n GLU 21 Cb 0.27 -4.90 0.00 0.00 -0.02 0.00 0.00 31.44 26.79 1aoy n GLU 21 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1aoy n LYS 22 N -0.24 0.00 -2.94 3.49 4.76 -1.26 -4.83 118.16 117.13 1aoy n LYS 22 Ca 0.09 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.12 1aoy n LYS 22 Cb 0.34 -0.02 -0.04 0.00 -1.84 0.00 0.00 35.03 33.47 1aoy n LYS 22 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1aoy s PHE 23 N -2.00 3.61 -0.87 2.13 0.08 -1.26 -4.91 117.98 114.76 1aoy s PHE 23 Ca 0.00 1.39 0.21 0.00 0.12 0.00 0.00 56.93 58.65 1aoy s PHE 23 Cb 0.00 -2.90 -0.19 0.00 -0.57 0.00 0.00 43.02 39.36 1aoy s PHE 23 CO 0.00 0.07 0.88 0.43 -0.10 0.00 0.00 175.22 176.50 1aoy n SER 24 N 3.78 0.83 -3.93 1.36 7.64 -1.26 0.36 113.62 122.40 1aoy n SER 24 Ca 0.01 -0.80 -0.09 0.00 1.01 0.00 0.00 58.87 58.99 1aoy n SER 24 Cb 0.51 1.07 -0.09 0.00 -1.01 0.00 0.00 64.21 64.69 1aoy n SER 24 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1aoy s SER 25 N -3.22 0.18 0.63 6.43 1.04 -1.26 -4.68 113.70 112.81 1aoy s SER 25 Ca 0.06 -0.52 0.42 0.00 0.48 0.00 0.00 55.95 56.39 1aoy s SER 25 Cb 0.16 0.22 2.23 0.00 0.10 0.00 0.00 66.02 68.72 1aoy s SER 25 CO 0.86 -0.50 2.28 1.56 0.98 0.00 0.00 173.24 178.43 1aoy h GLN 26 N 3.72 0.00 0.10 4.02 7.50 -1.96 -2.05 115.11 126.44 1aoy h GLN 26 Ca -0.32 0.00 -0.22 0.00 0.50 0.00 0.00 58.65 58.60 1aoy h GLN 26 Cb 1.19 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.74 1aoy h GLN 26 CO 0.50 0.00 -0.93 0.78 -1.50 0.00 0.00 178.83 177.67 1aoy h GLY 27 N 0.30 0.51 0.88 3.46 0.00 -1.96 -3.15 103.07 103.11 1aoy h GLY 27 Ca 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 47.33 46.27 1aoy h GLY 27 CO 0.00 0.96 0.58 0.83 0.00 0.00 0.00 176.54 178.91 1aoy h GLU 28 N -0.06 1.10 0.00 4.80 5.08 -1.79 -1.38 114.58 122.33 1aoy h GLU 28 Ca -0.15 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1aoy h GLU 28 Cb 1.67 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1aoy h GLU 28 CO 0.18 0.73 -0.02 0.97 -1.00 0.00 0.00 179.01 179.87 1aoy h ILE 29 N 1.13 0.04 0.15 3.13 2.10 -1.63 -1.97 117.51 120.46 1aoy h ILE 29 Ca 0.36 -0.67 -0.01 0.00 1.08 0.00 0.00 64.86 65.62 1aoy h ILE 29 Cb 0.00 1.65 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1aoy h ILE 29 CO -0.12 0.02 -0.07 0.58 -1.08 0.00 0.00 178.15 177.48 1aoy h VAL 30 N 0.00 0.98 -0.47 2.19 2.07 -1.21 -2.38 116.25 117.44 1aoy h VAL 30 Ca -0.00 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1aoy h VAL 30 Cb 0.65 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1aoy h VAL 30 CO 0.00 0.15 0.19 0.00 0.02 0.00 0.00 177.57 177.93 1aoy h ALA 31 N 0.29 1.45 -0.21 1.67 0.00 -1.34 -2.47 119.26 118.65 1aoy h ALA 31 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1aoy h ALA 31 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1aoy h ALA 31 CO 0.03 0.42 0.10 0.00 0.00 0.00 0.00 179.25 179.80 1aoy h ALA 32 N 1.55 0.27 -0.03 0.00 0.00 -1.26 -2.16 119.26 117.62 1aoy h ALA 32 Ca 0.16 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1aoy h ALA 32 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1aoy h ALA 32 CO -0.02 -0.16 -0.42 -0.07 0.00 0.00 0.00 179.25 178.58 1aoy h LEU 33 N 0.20 0.08 -1.02 0.00 3.38 -1.27 -2.02 115.31 114.66 1aoy h LEU 33 Ca 0.07 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1aoy h LEU 33 Cb 0.13 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1aoy h LEU 33 CO -0.01 0.49 0.20 1.56 0.09 0.00 0.00 178.44 180.77 1aoy h GLN 34 N 0.06 0.90 -0.23 1.13 4.20 -1.18 -1.31 115.11 118.69 1aoy h GLN 34 Ca 0.00 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.43 1aoy h GLN 34 Cb 0.77 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1aoy h GLN 34 CO 0.06 0.77 -0.37 0.93 -0.67 0.00 0.00 178.83 179.54 1aoy h GLU 35 N 0.88 0.50 0.02 1.46 5.08 -0.99 -3.26 114.58 118.27 1aoy h GLU 35 Ca 0.20 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1aoy h GLU 35 Cb 0.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1aoy h GLU 35 CO -0.01 0.80 -0.01 1.96 -1.00 0.00 0.00 179.01 180.75 1aoy h GLN 36 N 0.42 -0.03 0.00 2.33 1.08 -0.65 -3.47 115.11 114.80 1aoy h GLN 36 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1aoy h GLN 36 Cb 0.84 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1aoy h GLN 36 CO 0.07 0.27 0.00 0.41 -0.95 0.00 0.00 178.83 178.63 1aoy n GLY 37 N -0.31 0.00 3.03 3.46 0.00 -0.56 -5.11 105.19 105.70 1aoy n GLY 37 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 2.97 -1.00 1.61 0.08 -0.81 -4.98 117.98 115.85 1aoy s PHE 38 Ca 0.00 -2.12 0.18 0.00 0.12 0.00 0.00 56.93 55.10 1aoy s PHE 38 Cb 0.00 -1.82 0.75 0.00 -0.57 0.00 0.00 43.02 41.38 1aoy s PHE 38 CO 0.00 -0.84 1.66 -0.25 -0.10 0.00 0.00 175.22 175.69 1aoy n ASP 39 N 4.51 4.98 -3.09 1.36 9.92 -1.26 -3.95 116.55 129.03 1aoy n ASP 39 Ca -0.14 -2.53 -0.23 0.00 -0.53 0.00 0.00 54.79 51.37 1aoy n ASP 39 Cb 0.43 -0.60 -0.04 0.00 -0.64 0.00 0.00 41.12 40.27 1aoy n ASP 39 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1aoy n ASN 40 N 1.07 2.56 -3.75 -2.24 2.85 -1.26 -5.06 115.26 109.44 1aoy n ASN 40 Ca 0.27 -3.32 -0.12 0.00 -0.11 0.00 0.00 54.58 51.29 1aoy n ASN 40 Cb 0.95 -0.60 -0.12 0.00 1.24 0.00 0.00 39.78 41.25 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 -3.31 -0.02 0.33 -1.44 -1.09 -1.26 -5.05 121.20 109.36 1aoy s ILE 41 Ca 0.44 0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.97 1aoy s ILE 41 Cb 0.30 -0.39 -0.02 0.00 -1.58 0.00 0.00 42.46 40.78 1aoy s ILE 41 CO -0.11 0.03 0.35 0.54 -1.23 0.00 0.00 174.94 174.53 1aoy s ASN 42 N 0.81 1.25 0.44 3.58 2.20 -1.26 -5.00 114.94 116.96 1aoy s ASN 42 Ca -0.06 -1.62 0.15 0.00 -0.94 0.00 0.00 52.86 50.39 1aoy s ASN 42 Cb -0.07 0.59 1.06 0.00 -2.00 0.00 0.00 41.25 40.84 1aoy s ASN 42 CO -0.05 -1.15 1.99 -0.61 -2.94 0.00 0.00 177.10 174.34 1aoy h GLN 43 N 2.16 0.36 -0.29 3.55 4.15 -1.94 -1.45 115.11 121.63 1aoy h GLN 43 Ca -0.27 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.03 1aoy h GLN 43 Cb 1.24 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 1aoy h GLN 43 CO 0.38 0.24 -0.21 0.77 -1.93 0.00 0.00 178.83 178.08 1aoy h SER 44 N 0.37 0.68 -0.83 -0.69 0.02 -1.96 0.17 113.55 111.31 1aoy h SER 44 Ca 0.26 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1aoy h SER 44 Cb 0.55 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1aoy h SER 44 CO -0.07 0.98 0.43 0.50 -1.14 0.00 0.00 176.83 177.53 1aoy h LYS 45 N 0.39 1.18 -0.02 3.45 1.63 -1.71 0.02 116.57 121.51 1aoy h LYS 45 Ca 0.06 -0.15 -0.15 0.00 -0.85 0.00 0.00 60.65 59.55 1aoy h LYS 45 Cb 0.75 -0.22 0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1aoy h LYS 45 CO 0.06 0.88 -0.57 0.28 -3.45 0.00 0.00 179.45 176.65 1aoy h VAL 46 N 1.17 1.42 -0.15 2.00 2.07 -1.24 -2.26 116.25 119.26 1aoy h VAL 46 Ca 0.29 -2.02 -0.07 0.00 0.82 0.00 0.00 66.70 65.72 1aoy h VAL 46 Cb 0.07 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1aoy h VAL 46 CO -0.04 0.59 -0.22 0.77 0.02 0.00 0.00 177.57 178.68 1aoy h SER 47 N -0.06 0.26 -0.38 0.57 4.64 -0.59 0.19 113.55 118.17 1aoy h SER 47 Ca -0.06 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.11 1aoy h SER 47 Cb 1.27 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1aoy h SER 47 CO 0.11 0.49 -0.06 0.03 -0.87 0.00 0.00 176.83 176.53 1aoy h ARG 48 N 0.24 0.71 -0.24 4.77 3.08 -1.02 -2.30 114.38 119.62 1aoy h ARG 48 Ca 0.04 -0.26 -0.13 0.00 0.07 0.00 0.00 59.98 59.70 1aoy h ARG 48 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1aoy h ARG 48 CO 0.04 0.84 -0.41 0.52 -1.07 0.00 0.00 179.97 179.88 1aoy h MET 49 N 0.51 0.57 -0.85 0.04 2.86 -0.88 -0.11 114.93 117.07 1aoy h MET 49 Ca 0.10 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1aoy h MET 49 Cb 0.56 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1aoy h MET 49 CO 0.03 0.88 0.49 -0.07 1.06 0.00 0.00 176.91 179.30 1aoy h LEU 50 N 0.47 1.04 -0.28 1.22 4.07 -0.55 0.26 115.31 121.55 1aoy h LEU 50 Ca 0.04 -0.08 -0.21 0.00 0.08 0.00 0.00 57.88 57.71 1aoy h LEU 50 Cb 0.92 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.39 1aoy h LEU 50 CO 0.08 0.82 -0.85 0.74 -1.08 0.00 0.00 178.44 178.16 1aoy h THR 51 N 1.18 1.40 0.06 0.22 2.02 -1.26 -0.92 112.91 115.60 1aoy h THR 51 Ca 0.30 -2.34 -0.00 0.00 0.77 0.00 0.00 66.41 65.14 1aoy h THR 51 Cb -0.01 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1aoy h THR 51 CO -0.05 0.70 -0.03 0.50 0.37 0.00 0.00 175.52 177.01 1aoy h LYS 52 N 0.24 -0.08 0.00 6.66 3.11 -0.64 -3.30 116.57 122.56 1aoy h LYS 52 Ca -0.06 0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.69 1aoy h LYS 52 Cb 1.46 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.69 1aoy h LYS 52 CO 0.14 0.44 -0.47 0.74 -2.81 0.00 0.00 179.45 177.49 1aoy h PHE 53 N -0.64 0.00 -3.01 1.91 0.04 -0.60 -3.49 116.94 111.15 1aoy h PHE 53 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1aoy h PHE 53 Cb 0.55 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1aoy h PHE 53 CO 0.11 0.47 -0.00 0.41 -0.60 0.00 0.00 178.31 178.69 1aoy n GLY 54 N 0.72 0.05 3.70 -1.45 0.00 -0.42 -4.96 105.19 102.82 1aoy n GLY 54 Ca 0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.00 3.29 0.50 4.61 0.00 -0.78 -4.58 121.76 121.81 1aoy s ALA 55 Ca 0.00 0.44 0.08 0.00 0.00 0.00 0.00 51.96 52.49 1aoy s ALA 55 Cb -0.00 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.78 1aoy s ALA 55 CO 0.00 -0.43 0.69 0.14 0.00 0.00 0.00 175.76 176.16 1aoy s VAL 56 N 1.55 2.59 0.07 0.00 -7.23 0.02 -4.88 120.40 112.52 1aoy s VAL 56 Ca 0.50 -0.97 0.08 0.00 -1.81 0.00 0.00 61.98 59.78 1aoy s VAL 56 Cb -0.19 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 1aoy s VAL 56 CO 0.22 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.68 1aoy s ARG 57 N -4.53 1.23 0.21 4.82 0.52 -1.26 0.24 118.95 120.16 1aoy s ARG 57 Ca 0.58 -1.04 -0.19 0.00 -0.52 0.00 0.00 55.73 54.56 1aoy s ARG 57 Cb -0.08 -1.41 0.03 0.00 0.52 0.00 0.00 34.95 34.02 1aoy s ARG 57 CO 0.36 0.34 0.58 -0.08 0.02 0.00 0.00 175.30 176.52 1aoy s THR 58 N -0.99 0.01 0.05 0.02 -1.32 0.13 -4.92 115.64 108.63 1aoy s THR 58 Ca 0.06 -0.71 -0.31 0.00 -1.21 0.00 0.00 61.69 59.53 1aoy s THR 58 Cb -0.09 -1.59 -0.06 0.00 -1.51 0.00 0.00 72.50 69.25 1aoy s THR 58 CO 0.03 -0.07 1.30 -0.13 -2.21 0.00 0.00 174.62 173.54 1aoy s ARG 59 N -3.87 4.36 0.00 7.08 0.52 -1.26 -0.37 118.95 125.41 1aoy s ARG 59 Ca 0.09 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.18 1aoy s ARG 59 Cb -0.02 -3.39 0.00 0.00 0.52 0.00 0.00 34.95 32.06 1aoy s ARG 59 CO -0.02 -0.39 0.00 0.27 0.02 0.00 0.00 175.30 175.18 1aoy n ASN 60 N 4.36 0.00 0.28 0.23 6.94 0.51 -4.89 115.26 122.68 1aoy n ASN 60 Ca 0.11 0.00 0.18 0.00 -0.02 0.00 0.00 54.58 54.84 1aoy n ASN 60 Cb 0.45 0.00 0.73 0.00 -2.36 0.00 0.00 39.78 38.59 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 -1.83 1.01 -1.02 -2.53 0.00 -1.88 -3.29 119.26 109.72 1aoy h ALA 61 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.47 1aoy h ALA 61 Cb 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.38 1aoy h ALA 61 CO 0.00 0.01 -1.01 1.63 0.00 0.00 0.00 179.25 179.88 1aoy n LYS 62 N -3.11 2.17 -0.76 0.00 5.02 -1.26 -4.98 118.16 115.24 1aoy n LYS 62 Ca 0.00 -3.76 0.00 0.00 -2.02 0.00 0.00 58.31 52.54 1aoy n LYS 62 Cb 0.29 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 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 -0.35 -0.35 -2.85 1.97 2.81 -1.24 -4.97 117.12 112.13 1aoy n MET 63 Ca 0.21 0.09 -0.41 0.00 -1.81 0.00 0.00 57.70 55.78 1aoy n MET 63 Cb 0.79 -3.95 -0.04 0.00 -0.71 0.00 0.00 33.22 29.31 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 -0.83 4.52 -0.98 0.03 2.02 -1.26 -4.73 118.70 117.46 1aoy s GLU 64 Ca 0.00 1.20 -0.23 0.00 0.02 0.00 0.00 54.97 55.96 1aoy s GLU 64 Cb 0.00 -3.44 0.02 0.00 0.10 0.00 0.00 34.13 30.80 1aoy s GLU 64 CO 0.00 0.03 1.63 -1.64 0.02 0.00 0.00 175.26 175.30 1aoy s MET 65 N 0.79 3.22 0.31 1.61 -1.94 -1.26 -0.36 119.30 121.67 1aoy s MET 65 Ca 0.46 -0.84 0.04 0.00 -1.71 0.00 0.00 55.69 53.64 1aoy s MET 65 Cb -0.20 -5.26 -0.02 0.00 2.01 0.00 0.00 34.83 31.36 1aoy s MET 65 CO 0.24 -2.63 0.46 0.14 -0.01 0.00 0.00 175.02 173.23 1aoy s VAL 66 N 6.80 4.69 0.34 -6.03 -7.23 0.49 -4.67 120.40 114.80 1aoy s VAL 66 Ca 0.55 -0.85 -0.26 0.00 -1.81 0.00 0.00 61.98 59.60 1aoy s VAL 66 Cb -0.02 -3.67 -0.09 0.00 0.56 0.00 0.00 36.38 33.16 1aoy s VAL 66 CO -0.06 -0.31 1.07 -0.31 -0.31 0.00 0.00 175.10 175.18 1aoy s TYR 67 N -2.17 3.42 0.33 2.82 2.02 0.16 -0.69 117.35 123.23 1aoy s TYR 67 Ca 0.40 1.68 -0.02 0.00 -0.37 0.00 0.00 57.07 58.76 1aoy s TYR 67 Cb -0.09 -3.19 -0.00 0.00 -0.40 0.00 0.00 41.96 38.27 1aoy s TYR 67 CO 0.32 -0.57 0.43 0.00 -1.57 0.00 0.00 175.55 174.15 1aoy s LEU 69 N -3.24 2.16 0.00 0.00 2.96 -1.26 -0.80 118.68 118.50 1aoy s LEU 69 Ca 0.32 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1aoy s LEU 69 Cb 0.00 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.57 1aoy s LEU 69 CO 0.20 0.21 0.00 -2.65 -1.32 0.00 0.00 176.35 172.79 1aoy n PRO 70 N 1.88 1.11 -1.74 0.98 -0.02 -1.26 -4.90 135.00 131.05 1aoy n PRO 70 Ca -0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.89 1aoy n PRO 70 Cb 0.53 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.00 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 1.87 -1.45 3.55 0.00 -1.26 -4.76 120.51 115.47 1aoy n ALA 71 Ca 0.00 0.35 -0.46 0.00 0.00 0.00 0.00 53.44 53.33 1aoy n ALA 71 Cb 0.00 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.01 1aoy n ALA 71 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1aoy n GLU 72 N 0.50 0.49 -1.04 0.00 4.07 -1.26 -4.80 120.64 118.60 1aoy n GLU 72 Ca 0.03 0.08 -0.15 0.00 -0.06 0.00 0.00 57.16 57.06 1aoy n GLU 72 Cb 0.37 -2.12 -0.09 0.00 -0.06 0.00 0.00 31.44 29.54 1aoy n GLU 72 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1aoy n LEU 73 N 10.74 5.72 -2.40 4.31 7.94 -1.26 -4.47 117.00 137.58 1aoy n LEU 73 Ca 0.52 -3.31 -0.31 0.00 -1.11 0.00 0.00 56.01 51.80 1aoy n LEU 73 Cb 0.17 -1.29 0.03 0.00 0.53 0.00 0.00 43.42 42.86 1aoy n LEU 73 CO 0.84 1.55 0.78 0.61 -1.11 0.00 0.00 177.39 180.06 1aoy n GLY 74 N 1.69 5.99 3.47 -3.96 0.00 -1.26 -5.01 105.19 106.11 1aoy n GLY 74 Ca 0.37 -2.57 -0.23 0.00 0.00 0.00 0.00 46.02 43.59 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 -4.99 2.03 -0.29 1.61 -7.23 -1.26 -5.09 120.40 105.16 1aoy s VAL 75 Ca 0.54 -2.21 -0.29 0.00 -1.81 0.00 0.00 61.98 58.21 1aoy s VAL 75 Cb 0.44 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 1aoy s VAL 75 CO -0.13 -0.31 1.77 -2.84 -0.31 0.00 0.00 175.10 173.29 1aoy s PRO 76 N -3.64 3.45 0.30 4.82 0.02 -1.26 -4.94 135.00 133.75 1aoy s PRO 76 Ca 0.30 1.52 -0.16 0.00 0.02 0.00 0.00 61.00 62.68 1aoy s PRO 76 Cb 0.01 -4.17 0.02 0.00 0.02 0.00 0.00 34.50 30.39 1aoy s PRO 76 CO 0.14 -1.72 0.66 -0.08 -0.33 0.00 0.00 177.00 175.66 1aoy s THR 77 N 6.50 0.00 0.00 0.99 -1.32 -1.26 -5.28 115.64 115.28 1aoy s THR 77 Ca 0.79 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 1aoy s THR 77 Cb -0.24 -2.28 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1aoy s THR 77 CO 0.33 0.00 0.36 0.35 -2.21 0.00 0.00 174.62 173.45