#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 0.00 -2.90 0.03 1.74 -1.26 -4.78 116.66 109.50 1aoy n ARG 2 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1aoy n ARG 2 Cb 0.00 -0.05 -0.05 0.00 -1.02 0.00 0.00 32.46 31.34 1aoy n ARG 2 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1aoy s SER 3 N -1.22 6.37 -0.37 0.55 0.01 -1.26 -4.99 113.70 112.79 1aoy s SER 3 Ca 0.00 -0.26 -0.28 0.00 1.31 0.00 0.00 55.95 56.73 1aoy s SER 3 Cb 0.00 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 1aoy s SER 3 CO 0.00 -1.08 1.94 -0.44 0.41 0.00 0.00 173.24 174.07 1aoy s SER 4 N 2.53 5.57 -1.41 2.44 0.01 -1.26 -4.89 113.70 116.69 1aoy s SER 4 Ca 0.30 1.24 -0.14 0.00 1.31 0.00 0.00 55.95 58.65 1aoy s SER 4 Cb -0.13 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.64 1aoy s SER 4 CO 0.21 -1.97 2.08 0.00 0.41 0.00 0.00 173.24 173.96 1aoy n ALA 5 N 11.48 5.09 -2.55 1.44 0.00 -1.26 -4.95 120.51 129.75 1aoy n ALA 5 Ca 0.25 -3.92 -0.39 0.00 0.00 0.00 0.00 53.44 49.38 1aoy n ALA 5 Cb 0.48 -3.49 -0.06 0.00 0.00 0.00 0.00 19.45 16.38 1aoy n ALA 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1aoy s LYS 6 N 3.11 4.32 0.00 0.00 -2.85 -1.26 -4.95 119.74 118.10 1aoy s LYS 6 Ca 0.48 0.69 0.00 0.00 -1.00 0.00 0.00 55.97 56.14 1aoy s LYS 6 Cb 0.11 -3.37 0.00 0.00 -2.06 0.00 0.00 37.83 32.52 1aoy s LYS 6 CO -0.04 0.31 0.58 0.94 0.10 0.00 0.00 175.35 177.23 1aoy n GLN 7 N 2.98 0.75 0.00 1.78 -0.06 -1.26 -2.98 117.38 118.59 1aoy n GLN 7 Ca -0.06 0.00 0.16 0.00 -2.00 0.00 0.00 57.00 55.09 1aoy n GLN 7 Cb 0.51 -1.17 0.88 0.00 -4.06 0.00 0.00 30.24 26.40 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 -0.22 0.89 -0.01 3.69 -0.58 -1.26 -3.50 120.64 119.65 1aoy n GLU 8 Ca 0.00 -0.05 -0.20 0.00 -0.42 0.00 0.00 57.16 56.49 1aoy n GLU 8 Cb 0.08 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.32 1aoy n GLU 8 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1aoy h GLU 9 N 0.13 0.19 -0.41 3.49 5.08 -1.96 -2.51 114.58 118.58 1aoy h GLU 9 Ca 0.00 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1aoy h GLU 9 Cb 0.10 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1aoy h GLU 9 CO 0.00 1.15 0.24 1.25 -1.00 0.00 0.00 179.01 180.65 1aoy h LEU 10 N -0.52 0.48 0.05 1.33 5.85 -1.83 0.11 115.31 120.78 1aoy h LEU 10 Ca -0.23 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1aoy h LEU 10 Cb 1.56 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1aoy h LEU 10 CO 0.03 0.37 -0.02 0.58 -0.34 0.00 0.00 178.44 179.06 1aoy h VAL 11 N 0.56 1.31 -0.01 1.05 2.07 -1.66 0.13 116.25 119.69 1aoy h VAL 11 Ca 0.15 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 1aoy h VAL 11 Cb -0.02 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1aoy h VAL 11 CO -0.03 0.32 -0.16 0.50 0.02 0.00 0.00 177.57 178.21 1aoy h LYS 12 N -0.64 0.01 -0.01 1.57 3.11 -1.20 -2.57 116.57 116.85 1aoy h LYS 12 Ca -0.01 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.79 1aoy h LYS 12 Cb 0.56 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.80 1aoy h LYS 12 CO 0.01 0.18 -0.16 0.00 -2.81 0.00 0.00 179.45 176.67 1aoy h ALA 13 N 1.83 0.03 -0.53 5.00 0.00 -0.77 -3.19 119.26 121.62 1aoy h ALA 13 Ca 0.00 -0.43 0.11 0.00 0.00 0.00 0.00 54.91 54.59 1aoy h ALA 13 Cb 0.30 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1aoy h ALA 13 CO 0.02 0.01 -0.18 0.35 0.00 0.00 0.00 179.25 179.46 1aoy h PHE 14 N -0.56 -0.41 -0.87 0.00 3.57 -0.42 0.12 116.94 118.36 1aoy h PHE 14 Ca -0.02 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1aoy h PHE 14 Cb 0.90 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 1aoy h PHE 14 CO 0.18 -0.27 0.50 0.87 -2.23 0.00 0.00 178.31 177.36 1aoy h LYS 15 N -0.05 1.20 -0.43 1.11 1.57 -1.60 -2.61 116.57 115.75 1aoy h LYS 15 Ca 0.25 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 1aoy h LYS 15 Cb 0.44 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1aoy h LYS 15 CO -0.57 0.85 -0.16 0.00 -0.57 0.00 0.00 179.45 179.00 1aoy h ALA 16 N 1.34 0.60 -0.37 3.86 0.00 -1.01 -1.02 119.26 122.66 1aoy h ALA 16 Ca 0.31 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1aoy h ALA 16 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1aoy h ALA 16 CO -0.05 0.54 0.18 -0.07 0.00 0.00 0.00 179.25 179.85 1aoy h LEU 17 N 0.70 0.27 0.32 0.00 3.38 -0.64 -1.48 115.31 117.86 1aoy h LEU 17 Ca 0.10 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1aoy h LEU 17 Cb 0.71 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1aoy h LEU 17 CO 0.05 0.20 -0.15 -0.07 0.09 0.00 0.00 178.44 178.56 1aoy h LEU 18 N 0.38 -0.36 -2.40 1.67 3.38 -1.45 -3.23 115.31 113.30 1aoy h LEU 18 Ca 0.16 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1aoy h LEU 18 Cb 0.07 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1aoy h LEU 18 CO -0.11 0.03 0.17 0.11 0.09 0.00 0.00 178.44 178.72 1aoy h LYS 19 N -0.82 0.00 0.00 1.13 1.57 -1.12 0.94 116.57 118.28 1aoy h LYS 19 Ca -0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1aoy h LYS 19 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1aoy h LYS 19 CO 0.07 0.00 -0.12 0.93 -0.57 0.00 0.00 179.45 179.76 1aoy h GLU 20 N 0.00 0.00 -5.23 3.15 4.39 -1.28 -3.46 114.58 112.14 1aoy h GLU 20 Ca 0.04 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 1aoy h GLU 20 Cb 0.37 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 29.14 1aoy h GLU 20 CO -0.00 0.12 -0.51 0.39 -1.16 0.00 0.00 179.01 177.85 1aoy n GLU 21 N -3.24 -1.77 0.00 2.33 1.02 0.33 -4.97 120.64 114.33 1aoy n GLU 21 Ca 0.01 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 1aoy n GLU 21 Cb 0.40 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.34 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 -2.60 1.39 -3.55 3.49 4.81 -1.26 -4.85 118.16 115.58 1aoy n LYS 22 Ca -0.04 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.04 1aoy n LYS 22 Cb 0.57 -0.77 -0.07 0.00 0.02 0.00 0.00 35.03 34.78 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 -1.54 3.46 -0.96 5.64 0.08 -1.26 -4.97 117.98 118.42 1aoy s PHE 23 Ca 0.00 0.59 0.21 0.00 0.12 0.00 0.00 56.93 57.85 1aoy s PHE 23 Cb 0.00 -2.33 -0.18 0.00 -0.57 0.00 0.00 43.02 39.94 1aoy s PHE 23 CO 0.00 0.25 0.92 0.43 -0.10 0.00 0.00 175.22 176.72 1aoy n SER 24 N 3.54 0.92 -4.04 1.36 7.64 -1.26 -0.10 113.62 121.68 1aoy n SER 24 Ca -0.12 -0.90 -0.10 0.00 1.01 0.00 0.00 58.87 58.76 1aoy n SER 24 Cb 0.52 0.98 -0.07 0.00 -1.01 0.00 0.00 64.21 64.63 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 -3.07 -0.02 0.06 6.43 1.04 -1.26 -4.63 113.70 112.25 1aoy s SER 25 Ca 0.08 -1.02 -0.34 0.00 0.48 0.00 0.00 55.95 55.14 1aoy s SER 25 Cb 0.16 0.52 -0.19 0.00 0.10 0.00 0.00 66.02 66.61 1aoy s SER 25 CO 0.86 -1.04 1.52 1.56 0.98 0.00 0.00 173.24 177.12 1aoy h GLN 26 N 2.37 -1.17 -0.51 4.02 4.20 -1.97 -2.81 115.11 119.25 1aoy h GLN 26 Ca -0.29 0.08 0.15 0.00 0.06 0.00 0.00 58.65 58.65 1aoy h GLN 26 Cb 1.25 0.27 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 1aoy h GLN 26 CO 0.41 -0.78 0.50 0.78 -0.67 0.00 0.00 178.83 179.07 1aoy h GLY 27 N -1.21 0.00 0.81 3.46 0.00 -1.97 0.10 103.07 104.26 1aoy h GLY 27 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1aoy h GLY 27 CO 0.18 0.00 0.02 -2.09 0.00 0.00 0.00 176.54 174.65 1aoy h GLU 28 N 0.00 0.22 0.00 4.80 4.81 -1.91 -2.48 114.58 120.02 1aoy h GLU 28 Ca 0.24 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1aoy h GLU 28 Cb 1.24 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1aoy h GLU 28 CO -0.00 0.41 0.00 0.97 -0.73 0.00 0.00 179.01 179.65 1aoy h ILE 29 N 0.01 0.00 0.21 2.32 2.10 -0.92 -2.64 117.51 118.59 1aoy h ILE 29 Ca 0.04 -0.75 -0.01 0.00 1.08 0.00 0.00 64.86 65.22 1aoy h ILE 29 Cb 0.29 1.74 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 1aoy h ILE 29 CO 0.00 0.00 -0.10 0.58 -1.08 0.00 0.00 178.15 177.55 1aoy h VAL 30 N 0.00 0.86 -0.82 2.19 2.07 -1.02 -1.84 116.25 117.70 1aoy h VAL 30 Ca 0.00 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1aoy h VAL 30 Cb 0.85 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1aoy h VAL 30 CO 0.00 0.10 0.43 0.00 0.02 0.00 0.00 177.57 178.12 1aoy h ALA 31 N 0.22 1.21 -0.18 1.67 0.00 -1.45 -2.47 119.26 118.26 1aoy h ALA 31 Ca -0.03 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1aoy h ALA 31 Cb 0.38 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1aoy h ALA 31 CO 0.05 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.85 1aoy h ALA 32 N 1.32 0.08 -0.15 0.00 0.00 -1.32 -2.24 119.26 116.94 1aoy h ALA 32 Ca 0.29 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1aoy h ALA 32 Cb 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1aoy h ALA 32 CO -0.04 -0.51 -0.28 -0.07 0.00 0.00 0.00 179.25 178.36 1aoy h LEU 33 N -0.05 0.28 -1.21 0.00 3.38 -1.16 -1.57 115.31 114.99 1aoy h LEU 33 Ca 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1aoy h LEU 33 Cb 0.18 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1aoy h LEU 33 CO -0.21 0.56 0.42 1.56 0.09 0.00 0.00 178.44 180.86 1aoy h GLN 34 N 0.25 0.96 0.00 1.13 4.20 -0.95 -1.93 115.11 118.77 1aoy h GLN 34 Ca 0.04 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 1aoy h GLN 34 Cb 0.63 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1aoy h GLN 34 CO 0.05 0.68 -0.80 0.93 -0.67 0.00 0.00 178.83 179.02 1aoy h GLU 35 N 0.97 0.00 0.31 1.46 5.08 -1.08 -3.35 114.58 117.99 1aoy h GLU 35 Ca 0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1aoy h GLU 35 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1aoy h GLU 35 CO -0.05 0.80 -0.15 1.96 -1.00 0.00 0.00 179.01 180.57 1aoy h GLN 36 N 0.00 -0.41 0.00 2.33 1.08 -0.55 -3.46 115.11 114.10 1aoy h GLN 36 Ca -0.01 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1aoy h GLN 36 Cb 1.57 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.09 1aoy h GLN 36 CO 0.10 -0.18 0.00 0.41 -0.95 0.00 0.00 178.83 178.21 1aoy n GLY 37 N -0.90 0.00 3.03 3.46 0.00 -0.86 -5.10 105.19 104.82 1aoy n GLY 37 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 3.03 -2.49 1.61 0.08 -0.93 -4.98 117.98 114.31 1aoy s PHE 38 Ca 0.00 -2.18 0.26 0.00 0.12 0.00 0.00 56.93 55.13 1aoy s PHE 38 Cb 0.00 -1.84 0.63 0.00 -0.57 0.00 0.00 43.02 41.24 1aoy s PHE 38 CO 0.00 -0.85 1.50 -0.40 -0.10 0.00 0.00 175.22 175.37 1aoy n ASP 39 N 4.49 1.95 -3.36 1.36 5.75 -1.26 -4.00 116.55 121.48 1aoy n ASP 39 Ca -0.13 -1.56 -0.30 0.00 -0.01 0.00 0.00 54.79 52.78 1aoy n ASP 39 Cb 0.43 0.07 -0.05 0.00 -1.03 0.00 0.00 41.12 40.54 1aoy n ASP 39 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1aoy n ASN 40 N 0.39 4.52 -3.96 -1.12 2.85 -1.26 -5.04 115.26 111.65 1aoy n ASN 40 Ca 0.15 -3.53 -0.11 0.00 -0.11 0.00 0.00 54.58 50.98 1aoy n ASN 40 Cb 0.44 -0.74 -0.12 0.00 1.24 0.00 0.00 39.78 40.60 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 -3.22 0.16 0.36 -1.44 -1.09 -1.26 -5.08 121.20 109.63 1aoy s ILE 41 Ca 0.42 -0.64 -0.09 0.00 -2.23 0.00 0.00 60.65 58.10 1aoy s ILE 41 Cb 0.18 -0.25 0.03 0.00 -1.58 0.00 0.00 42.46 40.84 1aoy s ILE 41 CO -0.04 -0.31 0.62 0.54 -1.23 0.00 0.00 174.94 174.52 1aoy s ASN 42 N -0.99 0.45 0.32 3.58 2.20 -1.26 -5.03 114.94 114.21 1aoy s ASN 42 Ca -0.10 -1.29 0.02 0.00 -0.94 0.00 0.00 52.86 50.55 1aoy s ASN 42 Cb -0.07 0.75 0.58 0.00 -2.00 0.00 0.00 41.25 40.51 1aoy s ASN 42 CO -0.00 -1.47 1.92 -0.61 -2.94 0.00 0.00 177.10 174.00 1aoy h GLN 43 N 2.06 0.94 -0.60 3.55 4.15 -1.97 -2.21 115.11 121.02 1aoy h GLN 43 Ca -0.30 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 58.97 1aoy h GLN 43 Cb 1.24 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 1aoy h GLN 43 CO 0.39 0.62 -0.00 0.77 -1.93 0.00 0.00 178.83 178.68 1aoy h SER 44 N 0.96 1.04 -0.85 -0.69 0.02 -1.98 0.45 113.55 112.51 1aoy h SER 44 Ca 0.37 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1aoy h SER 44 Cb 0.22 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1aoy h SER 44 CO -0.14 1.10 0.41 0.50 -1.14 0.00 0.00 176.83 177.56 1aoy h LYS 45 N 0.96 1.23 -0.04 3.45 1.63 -1.82 -0.04 116.57 121.94 1aoy h LYS 45 Ca 0.17 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 1aoy h LYS 45 Cb 0.56 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1aoy h LYS 45 CO 0.03 0.94 -0.23 0.28 -3.45 0.00 0.00 179.45 177.03 1aoy h VAL 46 N 1.22 1.47 -0.31 2.00 2.07 -1.22 -2.37 116.25 119.10 1aoy h VAL 46 Ca 0.29 -1.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 1aoy h VAL 46 Cb 0.12 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1aoy h VAL 46 CO -0.04 0.48 0.03 0.77 0.02 0.00 0.00 177.57 178.83 1aoy h SER 47 N -0.34 0.42 -0.07 0.57 4.64 -0.85 -0.40 113.55 117.53 1aoy h SER 47 Ca -0.02 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1aoy h SER 47 Cb 0.89 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1aoy h SER 47 CO 0.05 0.47 -0.01 0.03 -0.87 0.00 0.00 176.83 176.50 1aoy h ARG 48 N 0.45 0.12 -0.27 4.77 2.47 -1.03 -2.11 114.38 118.78 1aoy h ARG 48 Ca 0.10 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.70 1aoy h ARG 48 Cb 0.25 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1aoy h ARG 48 CO 0.00 0.42 -0.18 0.52 0.56 0.00 0.00 179.97 181.29 1aoy h MET 49 N -0.19 0.48 -0.31 0.04 2.86 -1.15 0.95 114.93 117.61 1aoy h MET 49 Ca 0.02 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1aoy h MET 49 Cb 0.37 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1aoy h MET 49 CO 0.00 0.64 0.14 -0.07 1.06 0.00 0.00 176.91 178.69 1aoy h LEU 50 N 0.43 0.42 -0.68 1.22 3.38 -1.02 0.23 115.31 119.30 1aoy h LEU 50 Ca 0.07 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1aoy h LEU 50 Cb 0.57 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1aoy h LEU 50 CO 0.04 0.45 -0.51 0.74 0.09 0.00 0.00 178.44 179.25 1aoy h THR 51 N 0.37 1.33 0.30 0.22 2.02 -1.16 -0.80 112.91 115.19 1aoy h THR 51 Ca 0.11 -1.75 -0.01 0.00 0.77 0.00 0.00 66.41 65.52 1aoy h THR 51 Cb 0.15 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1aoy h THR 51 CO -0.01 0.53 -0.14 0.50 0.37 0.00 0.00 175.52 176.77 1aoy h LYS 52 N 0.31 -0.38 0.00 6.66 3.11 -0.59 -3.28 116.57 122.40 1aoy h LYS 52 Ca 0.01 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 1aoy h LYS 52 Cb 1.00 0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 32.32 1aoy h LYS 52 CO 0.09 -0.05 -0.04 0.74 -2.81 0.00 0.00 179.45 177.38 1aoy h PHE 53 N -0.93 0.00 -3.42 1.91 0.04 -0.62 -3.48 116.94 110.44 1aoy h PHE 53 Ca -0.04 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1aoy h PHE 53 Cb 0.51 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.68 1aoy h PHE 53 CO 0.04 0.04 -0.08 0.41 -0.60 0.00 0.00 178.31 178.12 1aoy n GLY 54 N 0.15 0.08 3.81 -1.45 0.00 -0.37 -4.33 105.19 103.08 1aoy n GLY 54 Ca 0.01 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.04 3.08 -0.05 4.61 0.00 -0.79 -4.43 121.76 121.15 1aoy s ALA 55 Ca 0.04 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.52 1aoy s ALA 55 Cb -0.01 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1aoy s ALA 55 CO 0.13 0.10 -0.21 0.14 0.00 0.00 0.00 175.76 175.92 1aoy s VAL 56 N -1.99 2.42 -0.19 0.00 -7.23 0.57 -4.94 120.40 109.04 1aoy s VAL 56 Ca 0.59 -0.95 -0.20 0.00 -1.81 0.00 0.00 61.98 59.61 1aoy s VAL 56 Cb -0.13 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 1aoy s VAL 56 CO 0.17 0.58 0.57 -0.13 -0.31 0.00 0.00 175.10 175.98 1aoy s ARG 57 N -0.45 4.22 0.37 4.82 0.52 -1.26 -0.33 118.95 126.84 1aoy s ARG 57 Ca 0.05 0.53 -0.14 0.00 -0.52 0.00 0.00 55.73 55.64 1aoy s ARG 57 Cb -0.12 -3.56 0.05 0.00 0.52 0.00 0.00 34.95 31.84 1aoy s ARG 57 CO 0.01 -0.16 0.74 -0.08 0.02 0.00 0.00 175.30 175.83 1aoy s THR 58 N 1.66 0.00 0.25 0.02 -1.32 0.15 -4.97 115.64 111.43 1aoy s THR 58 Ca 0.27 -1.08 -0.14 0.00 -1.21 0.00 0.00 61.69 59.52 1aoy s THR 58 Cb -0.16 -2.78 -0.08 0.00 -1.51 0.00 0.00 72.50 67.97 1aoy s THR 58 CO 0.10 0.00 0.66 0.00 -2.21 0.00 0.00 174.62 173.17 1aoy s ARG 59 N -2.54 4.00 0.00 7.08 1.70 -1.26 0.05 118.95 127.98 1aoy s ARG 59 Ca 0.17 0.58 0.00 0.00 -0.47 0.00 0.00 55.73 56.01 1aoy s ARG 59 Cb -0.05 -2.66 0.00 0.00 -0.57 0.00 0.00 34.95 31.67 1aoy s ARG 59 CO 0.12 0.30 0.00 0.27 -1.08 0.00 0.00 175.30 174.91 1aoy n ASN 60 N 0.12 0.00 0.00 -2.89 0.23 -0.64 -4.86 115.26 107.22 1aoy n ASN 60 Ca 0.00 -0.25 0.04 0.00 -0.53 0.00 0.00 54.58 53.83 1aoy n ASN 60 Cb 0.52 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.41 1aoy n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1aoy n ALA 61 N -3.00 1.51 -1.85 -2.53 0.00 -1.26 -2.04 120.51 111.34 1aoy n ALA 61 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.46 1aoy n ALA 61 Cb 0.00 -1.12 0.10 0.00 0.00 0.00 0.00 19.45 18.43 1aoy n ALA 61 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aoy n LYS 62 N -1.30 0.73 -1.07 0.00 4.01 -1.26 -4.99 118.16 114.29 1aoy n LYS 62 Ca 0.03 -2.32 -0.02 0.00 -0.51 0.00 0.00 58.31 55.49 1aoy n LYS 62 Cb 0.06 -0.88 -0.01 0.00 -0.51 0.00 0.00 35.03 33.69 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 -0.47 -1.10 -2.66 1.97 2.81 -0.87 -4.97 117.12 111.84 1aoy n MET 63 Ca 0.11 0.41 -0.43 0.00 -1.81 0.00 0.00 57.70 55.98 1aoy n MET 63 Cb 0.82 -4.31 -0.02 0.00 -0.71 0.00 0.00 33.22 29.01 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 -1.51 4.21 -0.36 0.03 2.02 -1.26 -4.71 118.70 117.12 1aoy s GLU 64 Ca 0.00 1.28 -0.28 0.00 0.02 0.00 0.00 54.97 55.99 1aoy s GLU 64 Cb 0.00 -3.66 -0.01 0.00 0.10 0.00 0.00 34.13 30.55 1aoy s GLU 64 CO 0.00 -0.69 1.75 -1.64 0.02 0.00 0.00 175.26 174.71 1aoy s MET 65 N 3.29 3.32 0.30 1.61 -1.94 -1.26 -1.62 119.30 122.99 1aoy s MET 65 Ca 0.44 1.31 0.03 0.00 -1.71 0.00 0.00 55.69 55.76 1aoy s MET 65 Cb -0.14 -4.19 -0.03 0.00 2.01 0.00 0.00 34.83 32.48 1aoy s MET 65 CO 0.08 -1.88 0.28 0.14 -0.01 0.00 0.00 175.02 173.64 1aoy s VAL 66 N 6.84 0.00 0.26 -6.03 -7.23 0.11 -4.66 120.40 109.69 1aoy s VAL 66 Ca 0.77 -1.92 -0.23 0.00 -1.81 0.00 0.00 61.98 58.78 1aoy s VAL 66 Cb -0.21 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.13 1aoy s VAL 66 CO 0.33 0.00 0.82 -0.31 -0.31 0.00 0.00 175.10 175.63 1aoy s TYR 67 N -3.56 3.70 0.29 2.82 2.02 0.85 -0.68 117.35 122.80 1aoy s TYR 67 Ca 0.38 1.59 -0.05 0.00 -0.37 0.00 0.00 57.07 58.62 1aoy s TYR 67 Cb 0.03 -2.77 -0.01 0.00 -0.40 0.00 0.00 41.96 38.82 1aoy s TYR 67 CO 0.22 0.31 0.42 0.00 -1.57 0.00 0.00 175.55 174.93 1aoy s LEU 69 N -3.16 2.01 0.00 0.00 2.96 -1.26 -0.32 118.68 118.90 1aoy s LEU 69 Ca 0.29 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1aoy s LEU 69 Cb 0.01 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.46 1aoy s LEU 69 CO 0.16 0.19 0.00 -0.81 -1.32 0.00 0.00 176.35 174.57 1aoy n PRO 70 N 3.17 1.03 -1.69 0.98 -0.04 -1.26 -4.86 135.00 132.33 1aoy n PRO 70 Ca -0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 1aoy n PRO 70 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 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 -3.71 2.76 -0.32 0.55 0.00 -1.26 -4.75 121.76 115.03 1aoy s ALA 71 Ca 0.00 0.68 -0.23 0.00 0.00 0.00 0.00 51.96 52.40 1aoy s ALA 71 Cb 0.00 -4.06 -0.11 0.00 0.00 0.00 0.00 23.12 18.95 1aoy s ALA 71 CO 0.00 -2.75 1.24 0.39 0.00 0.00 0.00 175.76 174.64 1aoy n GLU 72 N 8.68 0.00 0.18 0.00 4.71 -1.26 -4.77 120.64 128.17 1aoy n GLU 72 Ca 0.28 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.56 1aoy n GLU 72 Cb 0.45 -0.84 0.63 0.00 -1.01 0.00 0.00 31.44 30.68 1aoy n GLU 72 CO 0.00 0.00 0.00 1.37 0.09 0.00 0.00 177.13 178.59 1aoy h LEU 73 N 5.28 0.00 -8.08 -4.62 -0.00 -1.86 -3.37 115.31 102.67 1aoy h LEU 73 Ca -0.05 0.00 -0.72 0.00 -0.00 0.00 0.00 57.88 57.11 1aoy h LEU 73 Cb 0.78 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 41.23 1aoy h LEU 73 CO 0.63 0.00 0.17 -0.83 -0.00 0.00 0.00 178.44 178.41 1aoy s GLY 74 N -3.65 1.97 0.33 0.17 0.00 -1.26 -5.04 107.32 99.83 1aoy s GLY 74 Ca -0.00 -2.51 -0.27 0.00 0.00 0.00 0.00 44.72 41.94 1aoy s GLY 74 CO 0.30 1.54 0.98 3.33 0.00 0.00 0.00 173.10 179.25 1aoy n VAL 75 N 5.25 2.07 -1.67 1.40 0.24 -1.26 -4.86 118.33 119.51 1aoy n VAL 75 Ca -0.02 -0.50 -0.46 0.00 -2.04 0.00 0.00 64.34 61.32 1aoy n VAL 75 Cb 0.44 -1.00 -0.04 0.00 -1.47 0.00 0.00 33.84 31.76 1aoy n VAL 75 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1aoy n PRO 76 N 0.59 2.17 -2.71 7.34 -0.02 -1.26 -4.91 135.00 136.19 1aoy n PRO 76 Ca 0.10 0.79 -0.08 0.00 -2.02 0.00 0.00 63.50 62.28 1aoy n PRO 76 Cb 0.34 -2.57 0.10 0.00 -0.02 0.00 0.00 33.50 31.35 1aoy n PRO 76 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1aoy n THR 77 N 3.82 0.00 -1.06 3.45 5.66 -1.26 -5.31 114.28 119.58 1aoy n THR 77 Ca 0.18 -1.44 0.00 0.00 -3.05 0.00 0.00 64.05 59.74 1aoy n THR 77 Cb 0.29 1.26 0.00 0.00 -1.55 0.00 0.00 70.33 70.33 1aoy n THR 77 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37