#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 4.12 -2.35 0.03 5.12 -1.26 -4.96 116.66 117.37 1aoy n ARG 2 Ca 0.00 -3.31 -0.43 0.00 -1.93 0.00 0.00 57.85 52.18 1aoy n ARG 2 Cb 0.00 -2.77 -0.02 0.00 -1.16 0.00 0.00 32.46 28.51 1aoy n ARG 2 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1aoy s SER 3 N 0.83 6.45 -0.69 0.55 0.01 -1.26 -3.47 113.70 116.11 1aoy s SER 3 Ca 0.51 1.05 -0.01 0.00 1.31 0.00 0.00 55.95 58.80 1aoy s SER 3 Cb 0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1aoy s SER 3 CO -0.06 -1.30 0.59 -1.20 0.41 0.00 0.00 173.24 171.68 1aoy n SER 4 N 8.40 -2.58 0.03 2.44 7.64 -1.26 -4.73 113.62 123.56 1aoy n SER 4 Ca 0.16 -0.34 -0.02 0.00 1.01 0.00 0.00 58.87 59.69 1aoy n SER 4 Cb 0.47 -3.09 -0.01 0.00 -1.01 0.00 0.00 64.21 60.57 1aoy n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aoy h ALA 5 N 0.52 -0.26 -2.36 -0.43 0.00 -1.94 -3.46 119.26 111.33 1aoy h ALA 5 Ca -0.33 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.05 1aoy h ALA 5 Cb 1.19 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1aoy h ALA 5 CO 0.29 -0.25 0.03 0.15 0.00 0.00 0.00 179.25 179.47 1aoy s LYS 6 N -1.87 3.76 0.17 0.00 1.02 -1.26 -4.99 119.74 116.58 1aoy s LYS 6 Ca -0.02 0.35 0.24 0.00 0.02 0.00 0.00 55.97 56.57 1aoy s LYS 6 Cb 0.00 -2.49 0.91 0.00 -0.52 0.00 0.00 37.83 35.74 1aoy s LYS 6 CO 0.05 0.08 1.74 0.94 -0.92 0.00 0.00 175.35 177.25 1aoy n GLN 7 N -1.00 0.17 -0.23 1.68 -0.06 -1.26 -3.23 117.38 113.45 1aoy n GLN 7 Ca 0.01 0.26 -0.01 0.00 -2.00 0.00 0.00 57.00 55.26 1aoy n GLN 7 Cb 0.54 -1.75 0.00 0.00 -4.06 0.00 0.00 30.24 24.97 1aoy n GLN 7 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1aoy n GLU 8 N -2.06 1.04 -0.01 3.69 0.28 -1.26 -3.06 120.64 119.26 1aoy n GLU 8 Ca 0.04 -0.10 -0.01 0.00 -0.16 0.00 0.00 57.16 56.94 1aoy n GLU 8 Cb 0.32 -1.04 -0.01 0.00 1.43 0.00 0.00 31.44 32.14 1aoy n GLU 8 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1aoy n GLU 9 N 0.83 1.60 -0.17 3.44 1.02 -1.20 -4.59 120.64 121.57 1aoy n GLU 9 Ca 0.02 0.01 0.29 0.00 -0.02 0.00 0.00 57.16 57.45 1aoy n GLU 9 Cb 0.52 -1.03 0.72 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 0.00 -0.00 -4.62 5.85 -1.78 0.11 115.31 114.87 1aoy h LEU 10 Ca -0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1aoy h LEU 10 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1aoy h LEU 10 CO -0.00 0.00 -0.04 0.58 -0.34 0.00 0.00 178.44 178.64 1aoy h VAL 11 N 0.00 1.57 -0.93 1.05 2.07 -1.83 -2.08 116.25 116.10 1aoy h VAL 11 Ca 0.42 -1.73 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1aoy h VAL 11 Cb 1.77 2.72 -0.05 0.00 -1.52 0.00 0.00 31.29 34.22 1aoy h VAL 11 CO -0.00 0.45 0.61 0.11 0.02 0.00 0.00 177.57 178.76 1aoy h LYS 12 N -0.68 1.23 -0.43 1.57 6.56 -1.10 -1.59 116.57 122.13 1aoy h LYS 12 Ca -0.00 -0.08 -0.05 0.00 -1.06 0.00 0.00 60.65 59.46 1aoy h LYS 12 Cb 0.76 -0.28 -0.02 0.00 -0.57 0.00 0.00 32.23 32.13 1aoy h LYS 12 CO 0.01 0.82 0.07 0.00 -2.06 0.00 0.00 179.45 178.28 1aoy h ALA 13 N 1.34 0.58 0.77 3.86 0.00 -1.24 -1.94 119.26 122.63 1aoy h ALA 13 Ca 0.34 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1aoy h ALA 13 Cb -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1aoy h ALA 13 CO -0.07 0.30 -0.43 0.35 0.00 0.00 0.00 179.25 179.40 1aoy h PHE 14 N 0.58 -1.13 -0.90 0.00 3.57 -0.89 -1.67 116.94 116.50 1aoy h PHE 14 Ca 0.13 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.73 1aoy h PHE 14 Cb 0.38 0.39 -0.08 0.00 2.79 0.00 0.00 35.95 39.43 1aoy h PHE 14 CO 0.03 -0.66 0.53 0.87 -2.23 0.00 0.00 178.31 176.84 1aoy h LYS 15 N -1.11 0.80 -0.06 1.11 1.79 -1.37 -2.48 116.57 115.25 1aoy h LYS 15 Ca -0.10 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1aoy h LYS 15 Cb 0.87 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1aoy h LYS 15 CO 0.14 0.53 0.03 0.00 -1.08 0.00 0.00 179.45 179.06 1aoy h ALA 16 N 1.52 0.08 -0.34 3.86 0.00 -1.27 -2.42 119.26 120.68 1aoy h ALA 16 Ca 0.46 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.34 1aoy h ALA 16 Cb 0.50 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1aoy h ALA 16 CO -0.28 -0.35 0.06 -0.07 0.00 0.00 0.00 179.25 178.60 1aoy h LEU 17 N -0.04 -0.01 -0.44 0.00 3.38 -0.86 -2.53 115.31 114.80 1aoy h LEU 17 Ca 0.02 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1aoy h LEU 17 Cb 0.14 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1aoy h LEU 17 CO -0.00 0.03 0.28 -0.07 0.09 0.00 0.00 178.44 178.77 1aoy h LEU 18 N 0.17 0.49 0.00 1.67 3.38 -1.45 -2.33 115.31 117.23 1aoy h LEU 18 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1aoy h LEU 18 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1aoy h LEU 18 CO -0.22 0.35 0.00 0.29 0.09 0.00 0.00 178.44 178.95 1aoy n LYS 19 N -4.79 0.11 0.18 1.13 5.02 -0.92 -1.78 118.16 117.10 1aoy n LYS 19 Ca 0.01 0.22 0.06 0.00 -2.02 0.00 0.00 58.31 56.59 1aoy n LYS 19 Cb 0.03 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.70 1aoy n LYS 19 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1aoy h GLU 20 N 0.00 0.00 -5.16 1.97 5.08 -1.10 -3.48 114.58 111.89 1aoy h GLU 20 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1aoy h GLU 20 Cb 0.13 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.54 1aoy h GLU 20 CO 0.00 0.32 -0.71 0.39 -1.00 0.00 0.00 179.01 178.01 1aoy n GLU 21 N -3.23 -3.72 0.00 2.33 1.02 -0.74 -4.96 120.64 111.35 1aoy n GLU 21 Ca 0.02 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1aoy n GLU 21 Cb 0.62 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.68 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 -3.34 0.00 -2.87 3.49 4.81 -1.26 -4.94 118.16 114.04 1aoy n LYS 22 Ca -0.15 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.88 1aoy n LYS 22 Cb 0.62 -0.61 -0.04 0.00 0.02 0.00 0.00 35.03 35.03 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 -1.85 3.60 -0.90 5.64 0.08 -1.26 -4.94 117.98 118.34 1aoy s PHE 23 Ca 0.00 1.46 0.16 0.00 0.12 0.00 0.00 56.93 58.67 1aoy s PHE 23 Cb 0.00 -2.97 -0.15 0.00 -0.57 0.00 0.00 43.02 39.33 1aoy s PHE 23 CO 0.00 0.01 0.73 0.43 -0.10 0.00 0.00 175.22 176.29 1aoy n SER 24 N 4.00 0.92 -3.90 1.36 7.64 -1.26 -0.02 113.62 122.36 1aoy n SER 24 Ca 0.03 -0.96 -0.09 0.00 1.01 0.00 0.00 58.87 58.85 1aoy n SER 24 Cb 0.51 0.92 -0.07 0.00 -1.01 0.00 0.00 64.21 64.56 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 -2.47 0.05 0.10 6.43 1.04 -1.26 -4.63 113.70 112.96 1aoy s SER 25 Ca 0.07 -0.75 -0.33 0.00 0.48 0.00 0.00 55.95 55.42 1aoy s SER 25 Cb 0.13 0.41 -0.14 0.00 0.10 0.00 0.00 66.02 66.51 1aoy s SER 25 CO 0.64 -0.84 1.58 1.56 0.98 0.00 0.00 173.24 177.16 1aoy h GLN 26 N 2.60 -0.79 -1.22 4.02 4.20 -1.96 -2.91 115.11 119.05 1aoy h GLN 26 Ca -0.33 0.05 0.38 0.00 0.06 0.00 0.00 58.65 58.82 1aoy h GLN 26 Cb 1.22 0.18 -0.12 0.00 0.30 0.00 0.00 27.48 29.06 1aoy h GLN 26 CO 0.51 -0.53 0.78 0.78 -0.67 0.00 0.00 178.83 179.70 1aoy h GLY 27 N -0.82 1.31 1.00 3.46 0.00 -1.98 0.12 103.07 106.16 1aoy h GLY 27 Ca -0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1aoy h GLY 27 CO -0.12 -0.33 -0.28 0.83 0.00 0.00 0.00 176.54 176.64 1aoy h GLU 28 N 0.18 0.76 0.00 4.80 5.08 -1.94 -2.43 114.58 121.03 1aoy h GLU 28 Ca 0.75 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1aoy h GLU 28 Cb 2.21 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.46 1aoy h GLU 28 CO -0.39 1.01 -0.17 0.97 -1.00 0.00 0.00 179.01 179.43 1aoy h ILE 29 N 0.53 0.35 0.05 3.13 2.10 -1.03 -2.22 117.51 120.42 1aoy h ILE 29 Ca 0.06 -1.19 -0.00 0.00 1.08 0.00 0.00 64.86 64.81 1aoy h ILE 29 Cb 0.85 1.92 0.00 0.00 -1.09 0.00 0.00 36.82 38.49 1aoy h ILE 29 CO 0.07 0.17 -0.02 0.58 -1.08 0.00 0.00 178.15 177.87 1aoy h VAL 30 N 0.00 1.12 -0.74 2.19 2.07 -1.11 -2.19 116.25 117.59 1aoy h VAL 30 Ca -0.00 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1aoy h VAL 30 Cb 0.90 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 1aoy h VAL 30 CO 0.02 0.13 0.40 0.00 0.02 0.00 0.00 177.57 178.15 1aoy h ALA 31 N 0.65 1.32 -0.32 1.67 0.00 -1.37 -2.34 119.26 118.88 1aoy h ALA 31 Ca -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1aoy h ALA 31 Cb 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1aoy h ALA 31 CO 0.01 0.56 0.19 0.00 0.00 0.00 0.00 179.25 180.01 1aoy h ALA 32 N 1.41 0.40 -0.26 0.00 0.00 -1.25 -2.22 119.26 117.35 1aoy h ALA 32 Ca 0.26 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1aoy h ALA 32 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1aoy h ALA 32 CO -0.04 -0.10 -0.17 -0.07 0.00 0.00 0.00 179.25 178.86 1aoy h LEU 33 N 0.41 0.44 -1.13 0.00 3.38 -1.16 -1.09 115.31 116.15 1aoy h LEU 33 Ca 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1aoy h LEU 33 Cb 0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1aoy h LEU 33 CO -0.02 0.63 0.48 1.56 0.09 0.00 0.00 178.44 181.18 1aoy h GLN 34 N 0.41 1.07 -0.08 1.13 4.20 -1.04 -2.00 115.11 118.81 1aoy h GLN 34 Ca 0.07 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 1aoy h GLN 34 Cb 0.54 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1aoy h GLN 34 CO 0.04 0.75 -0.69 0.93 -0.67 0.00 0.00 178.83 179.18 1aoy h GLU 35 N 1.09 0.35 -0.03 1.46 5.08 -0.89 -3.31 114.58 118.34 1aoy h GLU 35 Ca 0.29 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1aoy h GLU 35 Cb -0.05 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1aoy h GLU 35 CO -0.05 0.91 -0.04 1.96 -1.00 0.00 0.00 179.01 180.79 1aoy h GLN 36 N 0.24 -0.05 0.00 2.33 1.08 -0.49 -3.46 115.11 114.76 1aoy h GLN 36 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1aoy h GLN 36 Cb 1.25 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1aoy h GLN 36 CO 0.12 -0.03 0.00 0.41 -0.95 0.00 0.00 178.83 178.37 1aoy n GLY 37 N -1.15 -0.07 3.90 3.46 0.00 -0.97 -4.82 105.19 105.55 1aoy n GLY 37 Ca -0.06 0.00 -0.28 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 3.57 -0.01 1.61 0.40 -1.03 -4.68 117.98 117.85 1aoy s PHE 38 Ca 0.00 0.89 0.00 0.00 -0.60 0.00 0.00 56.93 57.22 1aoy s PHE 38 Cb 0.00 -2.37 0.01 0.00 0.51 0.00 0.00 43.02 41.17 1aoy s PHE 38 CO 0.00 -0.35 -0.01 0.16 0.70 0.00 0.00 175.22 175.72 1aoy s ASP 39 N -4.12 0.22 -0.23 1.36 -4.77 -1.26 -4.56 116.67 103.30 1aoy s ASP 39 Ca 0.49 -0.02 -0.01 0.00 -3.30 0.00 0.00 52.55 49.70 1aoy s ASP 39 Cb -0.10 -0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.67 1aoy s ASP 39 CO 0.46 -0.01 0.17 0.59 0.70 0.00 0.00 175.17 177.08 1aoy n ASN 40 N 3.34 -2.62 -4.53 2.11 3.02 -1.26 -5.03 115.26 110.29 1aoy n ASN 40 Ca -0.16 -0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 53.90 1aoy n ASN 40 Cb 0.57 -1.25 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 1aoy n ASN 40 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1aoy s ILE 41 N -2.94 5.19 0.47 2.41 1.09 -1.26 -5.06 121.20 121.10 1aoy s ILE 41 Ca 0.09 -0.10 0.05 0.00 -1.10 0.00 0.00 60.65 59.59 1aoy s ILE 41 Cb -0.04 -3.82 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 1aoy s ILE 41 CO 0.11 -0.12 0.14 0.54 -0.10 0.00 0.00 174.94 175.50 1aoy s ASN 42 N 1.73 4.27 0.19 3.58 2.20 -1.26 -4.94 114.94 120.72 1aoy s ASN 42 Ca 0.10 -1.35 -0.09 0.00 -0.94 0.00 0.00 52.86 50.57 1aoy s ASN 42 Cb -0.17 0.05 0.11 0.00 -2.00 0.00 0.00 41.25 39.24 1aoy s ASN 42 CO 0.11 -0.74 1.73 -0.61 -2.94 0.00 0.00 177.10 174.65 1aoy h GLN 43 N 1.33 1.07 -0.92 3.55 4.15 -1.97 -2.85 115.11 119.47 1aoy h GLN 43 Ca -0.42 -0.23 0.05 0.00 0.77 0.00 0.00 58.65 58.82 1aoy h GLN 43 Cb 1.28 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.76 1aoy h GLN 43 CO 0.71 0.93 0.60 0.77 -1.93 0.00 0.00 178.83 179.90 1aoy h SER 44 N 1.01 0.95 0.29 -0.69 0.02 -1.98 0.20 113.55 113.35 1aoy h SER 44 Ca 0.22 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1aoy h SER 44 Cb 0.30 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1aoy h SER 44 CO -0.01 0.62 -0.38 0.50 -1.14 0.00 0.00 176.83 176.43 1aoy h LYS 45 N 1.09 0.13 0.16 3.45 3.11 -1.93 -0.53 116.57 122.04 1aoy h LYS 45 Ca 0.39 -0.05 -0.31 0.00 -2.81 0.00 0.00 60.65 57.86 1aoy h LYS 45 Cb 0.13 -0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.39 1aoy h LYS 45 CO -0.14 0.49 -1.30 0.28 -2.81 0.00 0.00 179.45 175.97 1aoy h VAL 46 N 0.11 1.30 -0.28 2.00 2.07 -0.91 -2.32 116.25 118.23 1aoy h VAL 46 Ca 0.01 -2.58 -0.15 0.00 0.82 0.00 0.00 66.70 64.80 1aoy h VAL 46 Cb 0.73 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1aoy h VAL 46 CO 0.05 0.78 -0.43 0.77 0.02 0.00 0.00 177.57 178.76 1aoy h SER 47 N 0.22 0.74 -0.25 0.57 4.64 -0.60 -1.47 113.55 117.41 1aoy h SER 47 Ca -0.20 -0.35 -0.03 0.00 -0.47 0.00 0.00 61.79 60.74 1aoy h SER 47 Cb 1.98 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.85 1aoy h SER 47 CO 0.24 1.07 0.04 0.03 -0.87 0.00 0.00 176.83 177.35 1aoy h ARG 48 N 0.56 0.41 -0.29 4.77 2.47 -1.17 -2.42 114.38 118.71 1aoy h ARG 48 Ca 0.04 -0.11 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 1aoy h ARG 48 Cb 0.98 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.23 1aoy h ARG 48 CO 0.09 0.53 -0.09 0.52 0.56 0.00 0.00 179.97 181.58 1aoy h MET 49 N 0.22 0.48 -0.57 0.04 2.86 -1.37 0.20 114.93 116.77 1aoy h MET 49 Ca 0.08 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1aoy h MET 49 Cb 0.32 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1aoy h MET 49 CO 0.00 0.58 0.35 -0.07 1.06 0.00 0.00 176.91 178.83 1aoy h LEU 50 N 0.45 0.69 -0.27 1.22 3.38 -1.06 0.13 115.31 119.84 1aoy h LEU 50 Ca 0.09 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 1aoy h LEU 50 Cb 0.44 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1aoy h LEU 50 CO 0.02 0.54 -0.86 0.74 0.09 0.00 0.00 178.44 178.98 1aoy h THR 51 N 0.78 1.40 -0.41 0.22 2.02 -1.02 -0.72 112.91 115.17 1aoy h THR 51 Ca 0.21 -2.35 -0.14 0.00 0.77 0.00 0.00 66.41 64.90 1aoy h THR 51 Cb -0.03 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1aoy h THR 51 CO -0.04 0.70 -0.28 0.50 0.37 0.00 0.00 175.52 176.77 1aoy h LYS 52 N 0.24 0.90 0.00 6.66 3.11 -0.34 -3.23 116.57 123.90 1aoy h LYS 52 Ca -0.06 -0.41 -0.02 0.00 -2.81 0.00 0.00 60.65 57.36 1aoy h LYS 52 Cb 1.47 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.68 1aoy h LYS 52 CO 0.15 1.06 -1.19 1.19 -2.81 0.00 0.00 179.45 177.85 1aoy n PHE 53 N -4.09 0.83 -1.74 1.91 3.72 0.43 -5.01 117.46 113.51 1aoy n PHE 53 Ca -0.01 0.25 -0.01 0.00 -0.05 0.00 0.00 57.45 57.63 1aoy n PHE 53 Cb 0.49 -0.91 0.01 0.00 -0.94 0.00 0.00 39.48 38.12 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 1.21 0.67 3.79 1.37 0.00 -0.38 -4.53 105.19 107.32 1aoy n GLY 54 Ca -0.02 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.03 3.17 -0.04 4.61 0.00 -0.60 -4.39 121.76 121.47 1aoy s ALA 55 Ca 0.03 0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1aoy s ALA 55 Cb -0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1aoy s ALA 55 CO 0.06 0.13 -0.22 0.14 0.00 0.00 0.00 175.76 175.87 1aoy s VAL 56 N -1.71 1.77 0.01 0.00 -7.23 -0.18 -4.96 120.40 108.09 1aoy s VAL 56 Ca 0.53 -0.92 -0.24 0.00 -1.81 0.00 0.00 61.98 59.54 1aoy s VAL 56 Cb -0.17 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 1aoy s VAL 56 CO 0.23 0.50 0.72 -0.13 -0.31 0.00 0.00 175.10 176.10 1aoy s ARG 57 N -0.20 4.45 0.22 4.82 0.52 -1.26 -0.34 118.95 127.16 1aoy s ARG 57 Ca -0.00 0.96 -0.09 0.00 -0.52 0.00 0.00 55.73 56.08 1aoy s ARG 57 Cb -0.12 -3.38 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 1aoy s ARG 57 CO 0.02 0.24 0.36 -0.08 0.02 0.00 0.00 175.30 175.86 1aoy s THR 58 N 0.15 0.01 -0.01 0.02 -1.32 0.57 -4.94 115.64 110.12 1aoy s THR 58 Ca 0.37 -1.56 -0.22 0.00 -1.21 0.00 0.00 61.69 59.07 1aoy s THR 58 Cb -0.19 -2.24 -0.05 0.00 -1.51 0.00 0.00 72.50 68.50 1aoy s THR 58 CO 0.21 -0.03 0.64 -0.13 -2.21 0.00 0.00 174.62 173.09 1aoy s ARG 59 N -4.05 4.37 0.00 7.08 0.52 -1.26 -0.75 118.95 124.86 1aoy s ARG 59 Ca 0.26 0.80 0.00 0.00 -0.52 0.00 0.00 55.73 56.27 1aoy s ARG 59 Cb 0.02 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 32.12 1aoy s ARG 59 CO 0.09 0.30 0.00 0.27 0.02 0.00 0.00 175.30 175.97 1aoy n ASN 60 N 2.95 0.00 0.07 0.23 0.23 -0.98 -4.88 115.26 112.88 1aoy n ASN 60 Ca -0.05 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.94 1aoy n ASN 60 Cb 0.51 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.32 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 -1.55 0.83 -1.63 -2.53 0.00 -1.93 -3.32 119.26 109.13 1aoy h ALA 61 Ca 0.00 -0.54 -0.63 0.00 0.00 0.00 0.00 54.91 53.74 1aoy h ALA 61 Cb 0.00 -0.08 -0.39 0.00 0.00 0.00 0.00 17.79 17.32 1aoy h ALA 61 CO 0.00 0.72 -0.32 1.63 0.00 0.00 0.00 179.25 181.28 1aoy n LYS 62 N -3.89 3.43 -2.87 0.00 5.02 -1.26 -4.95 118.16 113.65 1aoy n LYS 62 Ca -0.03 -4.47 -0.10 0.00 -2.02 0.00 0.00 58.31 51.69 1aoy n LYS 62 Cb 0.62 -2.27 -0.01 0.00 -0.02 0.00 0.00 35.03 33.35 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 -0.40 -2.60 -3.19 1.97 0.00 -1.25 -4.93 117.12 106.73 1aoy n MET 63 Ca 0.40 0.16 -0.40 0.00 0.00 0.00 0.00 57.70 57.86 1aoy n MET 63 Cb 0.50 -4.71 -0.06 0.00 0.00 0.00 0.00 33.22 28.95 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 -5.43 4.19 -1.17 3.17 0.41 -1.26 -4.81 118.70 113.81 1aoy s GLU 64 Ca 0.16 0.50 -0.21 0.00 -0.41 0.00 0.00 54.97 55.00 1aoy s GLU 64 Cb -0.09 -3.58 -0.01 0.00 -1.78 0.00 0.00 34.13 28.68 1aoy s GLU 64 CO 0.20 -0.20 1.80 -1.64 -0.49 0.00 0.00 175.26 174.93 1aoy s MET 65 N 1.81 3.18 0.34 1.61 -1.94 -1.26 -2.32 119.30 120.72 1aoy s MET 65 Ca 0.26 -1.35 0.07 0.00 -1.71 0.00 0.00 55.69 52.96 1aoy s MET 65 Cb -0.16 -5.34 -0.02 0.00 2.01 0.00 0.00 34.83 31.32 1aoy s MET 65 CO 0.10 -3.06 0.34 0.14 -0.01 0.00 0.00 175.02 172.53 1aoy s VAL 66 N 7.68 3.67 0.19 -6.03 -7.23 0.07 -4.71 120.40 114.03 1aoy s VAL 66 Ca 0.61 -1.27 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 1aoy s VAL 66 Cb 0.00 -3.24 -0.08 0.00 0.56 0.00 0.00 36.38 33.62 1aoy s VAL 66 CO 0.07 -0.17 1.04 -0.31 -0.31 0.00 0.00 175.10 175.41 1aoy s TYR 67 N -2.27 3.72 0.28 2.82 2.02 0.97 -0.32 117.35 124.58 1aoy s TYR 67 Ca 0.42 1.72 0.01 0.00 -0.37 0.00 0.00 57.07 58.86 1aoy s TYR 67 Cb -0.07 -3.17 -0.03 0.00 -0.40 0.00 0.00 41.96 38.30 1aoy s TYR 67 CO 0.28 -0.20 0.27 0.00 -1.57 0.00 0.00 175.55 174.33 1aoy s LEU 69 N -3.25 2.20 0.00 0.00 2.96 -1.26 -1.02 118.68 118.32 1aoy s LEU 69 Ca 0.37 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1aoy s LEU 69 Cb 0.03 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.27 1aoy s LEU 69 CO 0.19 0.14 0.00 -2.65 -1.32 0.00 0.00 176.35 172.71 1aoy n PRO 70 N 3.67 2.30 -1.50 0.98 -0.02 -1.26 -4.93 135.00 134.25 1aoy n PRO 70 Ca -0.19 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.94 1aoy n PRO 70 Cb 0.53 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.09 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 -3.38 2.17 -0.32 3.55 0.00 -1.26 -4.85 121.76 117.67 1aoy s ALA 71 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1aoy s ALA 71 Cb 0.00 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 1aoy s ALA 71 CO 0.00 -1.81 2.27 -0.85 0.00 0.00 0.00 175.76 175.37 1aoy n GLU 72 N -2.54 1.54 -3.23 0.00 0.00 -1.26 -4.90 120.64 110.24 1aoy n GLU 72 Ca 0.14 0.36 -0.46 0.00 0.00 0.00 0.00 57.16 57.20 1aoy n GLU 72 Cb 0.50 -3.08 -0.02 0.00 0.00 0.00 0.00 31.44 28.84 1aoy n GLU 72 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1aoy s LEU 73 N 8.97 6.30 -0.20 -1.84 2.96 -1.26 -4.74 118.68 128.87 1aoy s LEU 73 Ca 1.03 -2.69 -0.10 0.00 -0.22 0.00 0.00 54.13 52.15 1aoy s LEU 73 Cb -0.43 -2.26 -0.20 0.00 0.50 0.00 0.00 46.19 43.80 1aoy s LEU 73 CO 0.36 -0.64 0.06 0.61 -1.32 0.00 0.00 176.35 175.42 1aoy n GLY 74 N 4.12 -0.57 3.20 7.98 0.00 -1.26 -4.86 105.19 113.79 1aoy n GLY 74 Ca 0.18 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.49 0.11 -0.87 1.61 -7.23 -1.26 -5.09 120.40 105.18 1aoy s VAL 75 Ca -0.30 -0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 1aoy s VAL 75 Cb 0.09 -0.97 -0.18 0.00 0.56 0.00 0.00 36.38 35.87 1aoy s VAL 75 CO 0.63 -0.49 2.63 -2.65 -0.31 0.00 0.00 175.10 174.91 1aoy n PRO 76 N 0.57 0.25 -4.24 4.82 -0.02 -1.26 -4.91 135.00 130.21 1aoy n PRO 76 Ca -0.18 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 60.98 1aoy n PRO 76 Cb 0.59 -1.96 -0.09 0.00 -0.02 0.00 0.00 33.50 32.03 1aoy n PRO 76 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1aoy s THR 77 N 9.71 4.06 0.00 3.45 -1.32 -1.26 -5.21 115.64 125.07 1aoy s THR 77 Ca 1.27 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 1aoy s THR 77 Cb -1.01 -2.85 0.00 0.00 -1.51 0.00 0.00 72.50 67.13 1aoy s THR 77 CO 0.44 0.28 0.11 0.35 -2.21 0.00 0.00 174.62 173.59