#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 2.74 0.00 0.03 5.12 -1.26 -4.94 116.66 118.35 1aoy n ARG 2 Ca 0.00 -3.40 0.00 0.00 -1.93 0.00 0.00 57.85 52.52 1aoy n ARG 2 Cb 0.00 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.02 1aoy n ARG 2 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1aoy n SER 3 N -0.79 0.00 -4.57 0.55 7.64 -1.26 -4.85 113.62 110.33 1aoy n SER 3 Ca 0.60 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 60.07 1aoy n SER 3 Cb 0.54 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.00 5.85 -0.27 6.43 0.01 -1.26 -4.97 113.70 119.49 1aoy s SER 4 Ca 0.00 0.51 -0.00 0.00 1.31 0.00 0.00 55.95 57.76 1aoy s SER 4 Cb 0.00 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.74 1aoy s SER 4 CO 0.00 -1.89 -0.06 0.00 0.41 0.00 0.00 173.24 171.71 1aoy s ALA 5 N 7.03 2.69 -0.64 1.44 0.00 -1.26 -5.07 121.76 125.95 1aoy s ALA 5 Ca 0.62 -1.67 -0.26 0.00 0.00 0.00 0.00 51.96 50.65 1aoy s ALA 5 Cb -0.14 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 1aoy s ALA 5 CO 0.26 -1.10 1.88 0.15 0.00 0.00 0.00 175.76 176.95 1aoy s LYS 6 N 1.23 2.60 -1.68 0.00 1.02 -1.26 -3.56 119.74 118.09 1aoy s LYS 6 Ca -0.05 0.52 0.00 0.00 0.02 0.00 0.00 55.97 56.46 1aoy s LYS 6 Cb -0.19 -4.47 0.00 0.00 -0.52 0.00 0.00 37.83 32.65 1aoy s LYS 6 CO -0.04 -2.83 0.00 1.04 -0.92 0.00 0.00 175.35 172.61 1aoy n GLN 7 N 9.15 -1.40 -0.39 1.68 6.02 -1.26 -4.83 117.38 126.36 1aoy n GLN 7 Ca 0.23 0.93 -0.01 0.00 -0.01 0.00 0.00 57.00 58.14 1aoy n GLN 7 Cb 0.52 -5.25 0.01 0.00 1.02 0.00 0.00 30.24 26.53 1aoy n GLN 7 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1aoy n GLU 8 N -2.12 1.07 0.00 -1.09 -0.58 -1.23 -3.11 120.64 113.58 1aoy n GLU 8 Ca -0.16 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 1aoy n GLU 8 Cb 0.53 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 1aoy n GLU 8 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1aoy n GLU 9 N 1.09 1.12 -0.29 3.49 -0.58 -1.26 -4.64 120.64 119.58 1aoy n GLU 9 Ca 0.03 0.00 0.23 0.00 -0.42 0.00 0.00 57.16 56.99 1aoy n GLU 9 Cb 0.52 -0.93 0.54 0.00 -0.57 0.00 0.00 31.44 31.00 1aoy n GLU 9 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1aoy h LEU 10 N 0.00 0.38 -0.08 -4.62 5.85 -1.96 0.95 115.31 115.83 1aoy h LEU 10 Ca 0.00 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1aoy h LEU 10 Cb 0.87 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1aoy h LEU 10 CO 0.00 0.11 -0.20 0.58 -0.34 0.00 0.00 178.44 178.58 1aoy h VAL 11 N 0.35 1.41 -0.82 1.05 2.07 -1.85 -1.00 116.25 117.47 1aoy h VAL 11 Ca 0.54 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.54 1aoy h VAL 11 Cb 1.45 2.20 -0.04 0.00 -1.52 0.00 0.00 31.29 33.38 1aoy h VAL 11 CO -0.21 0.44 0.54 0.11 0.02 0.00 0.00 177.57 178.46 1aoy h LYS 12 N -0.19 1.05 -0.34 1.57 6.56 -1.19 -1.39 116.57 122.64 1aoy h LYS 12 Ca -0.00 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.51 1aoy h LYS 12 Cb 0.81 -0.24 -0.02 0.00 -0.57 0.00 0.00 32.23 32.22 1aoy h LYS 12 CO 0.04 0.70 0.15 0.00 -2.06 0.00 0.00 179.45 178.28 1aoy h ALA 13 N 1.31 0.44 0.37 3.86 0.00 -0.96 -2.24 119.26 122.04 1aoy h ALA 13 Ca 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1aoy h ALA 13 Cb -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1aoy h ALA 13 CO -0.08 0.02 -0.35 0.35 0.00 0.00 0.00 179.25 179.19 1aoy h PHE 14 N 0.41 -0.93 -0.68 0.00 3.57 -0.60 -0.73 116.94 117.98 1aoy h PHE 14 Ca 0.12 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.72 1aoy h PHE 14 Cb 0.15 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 1aoy h PHE 14 CO -0.01 -0.49 0.32 0.87 -2.23 0.00 0.00 178.31 176.76 1aoy h LYS 15 N -0.73 0.52 -0.09 1.11 1.79 -1.29 -2.51 116.57 115.37 1aoy h LYS 15 Ca -0.03 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1aoy h LYS 15 Cb 0.65 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1aoy h LYS 15 CO -0.05 0.34 0.05 0.00 -1.08 0.00 0.00 179.45 178.72 1aoy h ALA 16 N 1.43 0.12 -0.65 3.86 0.00 -1.10 0.45 119.26 123.36 1aoy h ALA 16 Ca 0.34 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1aoy h ALA 16 Cb 0.39 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1aoy h ALA 16 CO -0.29 -0.36 0.27 -0.07 0.00 0.00 0.00 179.25 178.81 1aoy h LEU 17 N 0.07 0.30 0.06 0.00 3.38 -0.76 0.48 115.31 118.85 1aoy h LEU 17 Ca 0.03 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1aoy h LEU 17 Cb 0.05 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1aoy h LEU 17 CO -0.01 0.17 -0.03 -0.07 0.09 0.00 0.00 178.44 178.60 1aoy h LEU 18 N 0.47 -0.06 -2.41 1.67 3.38 -1.33 -3.24 115.31 113.79 1aoy h LEU 18 Ca 0.33 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1aoy h LEU 18 Cb 0.39 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1aoy h LEU 18 CO -0.30 0.42 -0.00 0.11 0.09 0.00 0.00 178.44 178.76 1aoy h LYS 19 N -0.57 0.00 0.00 1.13 1.57 -0.61 -1.29 116.57 116.81 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 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1aoy h LYS 19 CO 0.01 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.83 1aoy h GLU 20 N 0.00 0.00 -5.08 3.15 5.08 -0.93 -3.48 114.58 113.33 1aoy h GLU 20 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aoy h GLU 20 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1aoy h GLU 20 CO 0.00 0.00 -0.46 0.39 -1.00 0.00 0.00 179.01 177.94 1aoy n GLU 21 N -2.91 -2.18 0.05 2.33 1.02 -0.49 -5.01 120.64 113.44 1aoy n GLU 21 Ca 0.03 1.99 0.00 0.00 -0.02 0.00 0.00 57.16 59.15 1aoy n GLU 21 Cb 0.39 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 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 -0.32 0.00 -2.57 3.49 4.81 -1.26 -5.01 118.16 117.30 1aoy n LYS 22 Ca 0.11 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.13 1aoy n LYS 22 Cb 0.42 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.44 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 3.56 -0.55 5.64 0.08 -1.26 -4.88 117.98 118.56 1aoy s PHE 23 Ca 0.00 1.51 0.15 0.00 0.12 0.00 0.00 56.93 58.72 1aoy s PHE 23 Cb 0.00 -3.26 -0.18 0.00 -0.57 0.00 0.00 43.02 39.00 1aoy s PHE 23 CO 0.00 -0.61 0.57 -1.13 -0.10 0.00 0.00 175.22 173.95 1aoy n SER 24 N 3.83 0.89 -4.22 1.36 3.41 -1.26 0.48 113.62 118.10 1aoy n SER 24 Ca 0.07 -0.65 -0.13 0.00 -0.26 0.00 0.00 58.87 57.90 1aoy n SER 24 Cb 0.49 1.17 -0.10 0.00 -0.26 0.00 0.00 64.21 65.51 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 -2.77 0.78 0.02 4.04 1.04 -1.26 -4.65 113.70 110.89 1aoy s SER 25 Ca 0.03 -1.26 -0.27 0.00 0.48 0.00 0.00 55.95 54.94 1aoy s SER 25 Cb 0.11 0.22 -0.16 0.00 0.10 0.00 0.00 66.02 66.29 1aoy s SER 25 CO 0.63 -0.69 1.20 1.56 0.98 0.00 0.00 173.24 176.92 1aoy h GLN 26 N 2.67 -0.75 -0.99 4.02 4.20 -1.96 -3.31 115.11 119.00 1aoy h GLN 26 Ca -0.36 0.05 0.34 0.00 0.06 0.00 0.00 58.65 58.73 1aoy h GLN 26 Cb 1.22 0.17 -0.18 0.00 0.30 0.00 0.00 27.48 28.99 1aoy h GLN 26 CO 0.60 -0.44 0.29 0.78 -0.67 0.00 0.00 178.83 179.39 1aoy h GLY 27 N -1.06 1.74 1.24 3.46 0.00 -1.97 0.68 103.07 107.16 1aoy h GLY 27 Ca -0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 1aoy h GLY 27 CO 0.13 -0.63 -0.03 0.83 0.00 0.00 0.00 176.54 176.84 1aoy h GLU 28 N 0.04 0.91 0.00 4.80 5.08 -2.01 -2.49 114.58 120.90 1aoy h GLU 28 Ca 0.71 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.73 1aoy h GLU 28 Cb 1.69 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1aoy h GLU 28 CO -0.82 0.92 -0.30 0.97 -1.00 0.00 0.00 179.01 178.78 1aoy h ILE 29 N 0.83 0.57 -0.12 3.13 2.10 -1.00 -1.90 117.51 121.11 1aoy h ILE 29 Ca 0.15 -1.55 0.00 0.00 1.08 0.00 0.00 64.86 64.54 1aoy h ILE 29 Cb 0.54 2.09 -0.01 0.00 -1.09 0.00 0.00 36.82 38.35 1aoy h ILE 29 CO 0.03 0.29 0.08 0.58 -1.08 0.00 0.00 178.15 178.05 1aoy h VAL 30 N 0.00 1.04 -0.28 2.19 2.07 -0.88 -2.18 116.25 118.21 1aoy h VAL 30 Ca -0.00 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 1aoy h VAL 30 Cb 1.06 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1aoy h VAL 30 CO 0.04 0.04 -0.36 0.00 0.02 0.00 0.00 177.57 177.30 1aoy h ALA 31 N 1.03 0.84 -0.72 1.67 0.00 -1.46 -3.16 119.26 117.47 1aoy h ALA 31 Ca 0.04 -0.42 0.08 0.00 0.00 0.00 0.00 54.91 54.61 1aoy h ALA 31 Cb -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1aoy h ALA 31 CO -0.01 0.64 0.47 0.00 0.00 0.00 0.00 179.25 180.35 1aoy h ALA 32 N 1.07 1.79 -0.00 0.00 0.00 -0.91 -0.09 119.26 121.13 1aoy h ALA 32 Ca 0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1aoy h ALA 32 Cb 0.87 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1aoy h ALA 32 CO 0.08 0.07 -0.78 -0.07 0.00 0.00 0.00 179.25 178.55 1aoy h LEU 33 N 0.67 0.01 -0.90 0.00 3.38 -1.37 -2.74 115.31 114.35 1aoy h LEU 33 Ca 0.32 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 1aoy h LEU 33 Cb 0.38 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1aoy h LEU 33 CO -0.11 0.78 -0.22 1.56 0.09 0.00 0.00 178.44 180.54 1aoy h GLN 34 N 0.00 0.56 0.00 1.13 4.20 -1.04 -1.81 115.11 118.16 1aoy h GLN 34 Ca -0.01 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1aoy h GLN 34 Cb 1.38 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1aoy h GLN 34 CO 0.10 0.74 0.00 -0.85 -0.67 0.00 0.00 178.83 178.16 1aoy n GLU 35 N -4.13 0.20 -0.04 1.46 0.28 -0.61 -3.98 120.64 113.81 1aoy n GLU 35 Ca -0.00 0.19 -0.01 0.00 -0.16 0.00 0.00 57.16 57.18 1aoy n GLU 35 Cb 0.40 -1.74 -0.00 0.00 1.43 0.00 0.00 31.44 31.52 1aoy n GLU 35 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1aoy h GLN 36 N 0.00 0.00 0.00 3.44 1.08 -1.06 -3.49 115.11 115.08 1aoy h GLN 36 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aoy h GLN 36 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1aoy h GLN 36 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1aoy n GLY 37 N 1.79 0.00 3.28 3.46 0.00 -0.75 -5.11 105.19 107.86 1aoy n GLY 37 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 1.85 -0.03 1.61 0.08 -0.91 -5.05 117.98 115.53 1aoy s PHE 38 Ca 0.00 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.63 1aoy s PHE 38 Cb 0.00 -1.04 0.01 0.00 -0.57 0.00 0.00 43.02 41.42 1aoy s PHE 38 CO 0.00 0.18 0.07 0.34 -0.10 0.00 0.00 175.22 175.71 1aoy s ASP 39 N -1.66 -0.05 0.00 1.36 2.15 -1.26 -4.25 116.67 112.96 1aoy s ASP 39 Ca 0.07 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.19 1aoy s ASP 39 Cb -0.10 0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.63 1aoy s ASP 39 CO 0.03 -0.05 0.00 -3.20 -0.17 0.00 0.00 175.17 171.78 1aoy n ASN 40 N 3.36 -0.72 -4.05 -0.34 2.85 -1.26 -5.13 115.26 109.97 1aoy n ASN 40 Ca -0.16 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.14 1aoy n ASN 40 Cb 0.57 -0.18 -0.13 0.00 1.24 0.00 0.00 39.78 41.28 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 -2.03 0.70 0.15 -1.44 -1.09 -1.26 -5.07 121.20 111.15 1aoy s ILE 41 Ca 0.00 -0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 57.71 1aoy s ILE 41 Cb 0.00 -0.65 0.00 0.00 -1.58 0.00 0.00 42.46 40.23 1aoy s ILE 41 CO 0.00 -0.03 0.21 -0.46 -1.23 0.00 0.00 174.94 173.42 1aoy n ASN 42 N 2.23 -0.57 -0.26 3.58 6.94 -1.26 -5.03 115.26 120.89 1aoy n ASN 42 Ca -0.17 -1.81 0.06 0.00 -0.02 0.00 0.00 54.58 52.64 1aoy n ASN 42 Cb 0.56 1.07 0.29 0.00 -2.36 0.00 0.00 39.78 39.34 1aoy n ASN 42 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1aoy h GLN 43 N 0.00 0.88 -0.37 -3.83 5.75 -1.98 -2.48 115.11 113.08 1aoy h GLN 43 Ca -0.12 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.30 1aoy h GLN 43 Cb 0.51 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 1aoy h GLN 43 CO 0.16 0.58 0.10 0.77 -2.65 0.00 0.00 178.83 177.78 1aoy h SER 44 N 0.90 0.56 -0.68 -0.69 0.02 -1.98 0.17 113.55 111.86 1aoy h SER 44 Ca 0.37 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1aoy h SER 44 Cb 0.28 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1aoy h SER 44 CO -0.14 0.64 0.34 0.11 -1.14 0.00 0.00 176.83 176.64 1aoy h LYS 45 N 0.45 0.99 -0.02 3.45 6.56 -1.87 0.19 116.57 126.32 1aoy h LYS 45 Ca 0.12 -0.13 -0.22 0.00 -1.06 0.00 0.00 60.65 59.35 1aoy h LYS 45 Cb 0.29 -0.19 0.02 0.00 -0.57 0.00 0.00 32.23 31.78 1aoy h LYS 45 CO 0.00 0.76 -0.86 0.28 -2.06 0.00 0.00 179.45 177.57 1aoy h VAL 46 N 0.99 1.32 -0.21 0.50 2.07 -1.23 -1.96 116.25 117.74 1aoy h VAL 46 Ca 0.24 -2.15 -0.17 0.00 0.82 0.00 0.00 66.70 65.44 1aoy h VAL 46 Cb 0.09 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1aoy h VAL 46 CO -0.03 0.65 -0.58 0.77 0.02 0.00 0.00 177.57 178.40 1aoy h SER 47 N 0.25 0.73 -0.39 0.57 4.64 -0.53 -1.49 113.55 117.33 1aoy h SER 47 Ca -0.10 -0.40 -0.08 0.00 -0.47 0.00 0.00 61.79 60.73 1aoy h SER 47 Cb 1.53 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1aoy h SER 47 CO 0.17 1.15 -0.06 0.03 -0.87 0.00 0.00 176.83 177.25 1aoy h ARG 48 N 0.50 0.73 -0.13 4.77 2.47 -0.69 -2.13 114.38 119.91 1aoy h ARG 48 Ca 0.00 -0.27 -0.11 0.00 -1.26 0.00 0.00 59.98 58.34 1aoy h ARG 48 Cb 1.15 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 1aoy h ARG 48 CO 0.11 0.86 -0.41 0.52 0.56 0.00 0.00 179.97 181.61 1aoy h MET 49 N 0.55 0.30 0.27 0.04 2.86 -1.35 0.08 114.93 117.67 1aoy h MET 49 Ca 0.10 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1aoy h MET 49 Cb 0.57 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1aoy h MET 49 CO 0.03 0.67 -0.13 -0.07 1.06 0.00 0.00 176.91 178.47 1aoy h LEU 50 N 0.25 -0.30 -0.91 1.22 3.38 -1.09 0.18 115.31 118.04 1aoy h LEU 50 Ca 0.02 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1aoy h LEU 50 Cb 0.84 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1aoy h LEU 50 CO 0.07 -0.12 -0.42 0.74 0.09 0.00 0.00 178.44 178.79 1aoy h THR 51 N -0.47 1.31 -0.07 0.22 2.02 -1.36 0.11 112.91 114.67 1aoy h THR 51 Ca -0.04 -1.56 -0.03 0.00 0.77 0.00 0.00 66.41 65.56 1aoy h THR 51 Cb 0.35 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1aoy h THR 51 CO 0.06 0.47 -0.05 0.50 0.37 0.00 0.00 175.52 176.86 1aoy h LYS 52 N 0.21 0.16 -0.00 6.66 3.11 -0.86 -3.13 116.57 122.72 1aoy h LYS 52 Ca 0.02 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1aoy h LYS 52 Cb 0.84 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.07 1aoy h LYS 52 CO 0.07 0.58 -0.07 1.19 -2.81 0.00 0.00 179.45 178.40 1aoy n PHE 53 N -4.74 0.00 -3.03 1.91 3.72 0.62 -4.96 117.46 110.98 1aoy n PHE 53 Ca -0.07 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.20 1aoy n PHE 53 Cb 0.29 -0.45 0.07 0.00 -0.94 0.00 0.00 39.48 38.44 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 1.49 -0.29 3.67 1.37 0.00 0.29 -4.83 105.19 106.88 1aoy n GLY 54 Ca 0.07 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.28 3.60 -0.05 4.61 0.00 -0.67 -4.35 121.76 121.62 1aoy s ALA 55 Ca 0.08 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 1aoy s ALA 55 Cb -0.01 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1aoy s ALA 55 CO 0.56 -0.93 0.14 0.14 0.00 0.00 0.00 175.76 175.66 1aoy s VAL 56 N 2.86 5.24 0.11 0.00 -7.23 -0.16 -4.81 120.40 116.41 1aoy s VAL 56 Ca 0.47 -0.09 -0.18 0.00 -1.81 0.00 0.00 61.98 60.38 1aoy s VAL 56 Cb -0.17 -3.37 -0.07 0.00 0.56 0.00 0.00 36.38 33.33 1aoy s VAL 56 CO 0.11 0.45 0.58 -0.13 -0.31 0.00 0.00 175.10 175.80 1aoy s ARG 57 N -1.52 4.14 0.08 4.82 0.52 -1.26 -0.51 118.95 125.22 1aoy s ARG 57 Ca 0.21 0.68 -0.23 0.00 -0.52 0.00 0.00 55.73 55.88 1aoy s ARG 57 Cb -0.12 -3.11 0.06 0.00 0.52 0.00 0.00 34.95 32.30 1aoy s ARG 57 CO 0.12 0.56 0.55 -0.08 0.02 0.00 0.00 175.30 176.47 1aoy s THR 58 N -1.26 0.02 -0.03 0.02 -1.32 -0.06 -4.91 115.64 108.10 1aoy s THR 58 Ca 0.33 -0.18 -0.30 0.00 -1.21 0.00 0.00 61.69 60.33 1aoy s THR 58 Cb -0.18 -1.01 -0.04 0.00 -1.51 0.00 0.00 72.50 69.76 1aoy s THR 58 CO 0.19 -0.10 1.17 -0.13 -2.21 0.00 0.00 174.62 173.55 1aoy s ARG 59 N -2.93 4.38 0.00 7.08 0.52 -1.26 -1.09 118.95 125.65 1aoy s ARG 59 Ca -0.03 1.66 0.00 0.00 -0.52 0.00 0.00 55.73 56.84 1aoy s ARG 59 Cb -0.00 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 31.95 1aoy s ARG 59 CO -0.06 -0.38 0.00 0.27 0.02 0.00 0.00 175.30 175.15 1aoy n ASN 60 N 4.88 0.00 0.07 0.23 6.94 -0.74 -4.82 115.26 121.82 1aoy n ASN 60 Ca 0.10 -0.37 0.07 0.00 -0.02 0.00 0.00 54.58 54.36 1aoy n ASN 60 Cb 0.47 0.00 0.51 0.00 -2.36 0.00 0.00 39.78 38.40 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 -1.37 1.87 -0.99 -2.53 0.00 -1.95 -1.69 119.26 112.61 1aoy h ALA 61 Ca 0.00 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 1aoy h ALA 61 Cb 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 17.79 17.39 1aoy h ALA 61 CO 0.00 0.10 0.70 1.63 0.00 0.00 0.00 179.25 181.68 1aoy n LYS 62 N -4.49 2.34 -3.68 0.00 5.02 -1.26 -4.92 118.16 111.17 1aoy n LYS 62 Ca 0.02 -3.04 -0.27 0.00 -2.02 0.00 0.00 58.31 53.00 1aoy n LYS 62 Cb 0.13 -2.19 -0.02 0.00 -0.02 0.00 0.00 35.03 32.93 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 -1.07 -3.00 -3.72 1.97 0.00 -0.64 -4.95 117.12 105.71 1aoy n MET 63 Ca 0.60 0.37 -0.37 0.00 0.00 0.00 0.00 57.70 58.30 1aoy n MET 63 Cb 1.42 -5.05 -0.11 0.00 0.00 0.00 0.00 33.22 29.48 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 -6.33 3.91 -1.08 3.17 2.02 -1.26 -4.77 118.70 114.37 1aoy s GLU 64 Ca 0.52 -0.35 -0.23 0.00 0.02 0.00 0.00 54.97 54.93 1aoy s GLU 64 Cb -0.28 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.44 1aoy s GLU 64 CO 0.64 -0.04 1.87 -1.64 0.02 0.00 0.00 175.26 176.11 1aoy s MET 65 N 1.30 2.79 0.19 1.61 -1.94 -1.26 -1.79 119.30 120.20 1aoy s MET 65 Ca 0.06 -0.93 0.07 0.00 -1.71 0.00 0.00 55.69 53.19 1aoy s MET 65 Cb -0.14 -5.22 -0.04 0.00 2.01 0.00 0.00 34.83 31.43 1aoy s MET 65 CO 0.06 -3.40 0.03 0.14 -0.01 0.00 0.00 175.02 171.84 1aoy s VAL 66 N 9.34 3.84 0.14 -6.03 -7.23 -0.25 -4.57 120.40 115.63 1aoy s VAL 66 Ca 0.65 -1.45 -0.31 0.00 -1.81 0.00 0.00 61.98 59.06 1aoy s VAL 66 Cb -0.02 -2.96 -0.09 0.00 0.56 0.00 0.00 36.38 33.86 1aoy s VAL 66 CO 0.05 -0.17 1.47 -0.31 -0.31 0.00 0.00 175.10 175.83 1aoy s TYR 67 N -1.85 3.16 0.17 2.82 2.02 0.18 -0.88 117.35 122.97 1aoy s TYR 67 Ca 0.29 0.81 -0.01 0.00 -0.37 0.00 0.00 57.07 57.79 1aoy s TYR 67 Cb -0.09 -3.79 -0.04 0.00 -0.40 0.00 0.00 41.96 37.64 1aoy s TYR 67 CO 0.20 -2.84 0.10 0.00 -1.57 0.00 0.00 175.55 171.44 1aoy s LEU 69 N -3.12 3.85 0.00 0.00 2.96 -1.26 -0.98 118.68 120.13 1aoy s LEU 69 Ca 0.32 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1aoy s LEU 69 Cb 0.07 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1aoy s LEU 69 CO 0.08 0.08 0.00 -2.65 -1.32 0.00 0.00 176.35 172.53 1aoy n PRO 70 N 4.20 3.36 -0.53 0.98 -0.02 -1.26 -4.97 135.00 136.76 1aoy n PRO 70 Ca -0.16 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.03 1aoy n PRO 70 Cb 0.52 0.00 0.26 0.00 -0.02 0.00 0.00 33.50 34.26 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 -2.77 -0.57 -0.25 3.55 0.00 -1.26 -4.83 121.76 115.63 1aoy s ALA 71 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 1aoy s ALA 71 Cb 0.00 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 1aoy s ALA 71 CO 0.00 -4.07 2.22 0.39 0.00 0.00 0.00 175.76 174.30 1aoy n GLU 72 N -5.12 1.78 -3.48 0.00 4.71 -1.26 -4.93 120.64 112.33 1aoy n GLU 72 Ca 0.05 0.48 -0.22 0.00 -0.01 0.00 0.00 57.16 57.47 1aoy n GLU 72 Cb 0.56 -3.09 -0.13 0.00 -1.01 0.00 0.00 31.44 27.77 1aoy n GLU 72 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1aoy s LEU 73 N 8.21 0.07 0.00 -4.62 2.96 -1.26 -5.05 118.68 118.99 1aoy s LEU 73 Ca 1.03 -0.78 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1aoy s LEU 73 Cb -0.43 0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.42 1aoy s LEU 73 CO 0.38 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.63 1aoy n GLY 74 N 5.29 0.21 3.72 7.98 0.00 -1.26 -4.84 105.19 116.29 1aoy n GLY 74 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1aoy n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aoy s VAL 75 N 0.00 5.03 -1.09 1.61 1.01 -1.26 -4.97 120.40 120.72 1aoy s VAL 75 Ca 0.00 1.42 -0.19 0.00 0.00 0.00 0.00 61.98 63.20 1aoy s VAL 75 Cb 0.00 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1aoy s VAL 75 CO 0.00 0.27 1.99 -0.81 0.00 0.00 0.00 175.10 176.55 1aoy n PRO 76 N 3.66 2.10 -3.49 2.72 -0.04 -1.26 -4.75 135.00 133.94 1aoy n PRO 76 Ca -0.02 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 1aoy n PRO 76 Cb 0.51 -3.22 -0.05 0.00 -0.04 0.00 0.00 33.50 30.71 1aoy n PRO 76 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1aoy s THR 77 N 5.35 -0.45 0.00 0.52 -1.32 -1.26 -5.32 115.64 113.16 1aoy s THR 77 Ca 0.56 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 1aoy s THR 77 Cb 0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 1aoy s THR 77 CO 0.06 0.00 0.00 1.07 -2.21 0.00 0.00 174.62 173.54