#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 -2.54 -3.07 0.03 5.12 -1.26 -4.94 116.66 109.99 1aoy n ARG 2 Ca 0.00 2.18 -0.45 0.00 -1.93 0.00 0.00 57.85 57.65 1aoy n ARG 2 Cb 0.00 -4.65 -0.02 0.00 -1.16 0.00 0.00 32.46 26.62 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 -1.64 6.64 0.64 0.55 0.01 -1.26 -5.03 113.70 113.62 1aoy s SER 3 Ca 0.07 -2.22 -0.17 0.00 1.31 0.00 0.00 55.95 54.94 1aoy s SER 3 Cb -0.02 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 1aoy s SER 3 CO 0.63 -0.90 1.16 -0.44 0.41 0.00 0.00 173.24 174.09 1aoy s SER 4 N 3.13 5.01 0.20 2.44 0.01 -1.26 -4.96 113.70 118.26 1aoy s SER 4 Ca 0.26 2.20 0.03 0.00 1.31 0.00 0.00 55.95 59.75 1aoy s SER 4 Cb -0.08 -2.58 0.11 0.00 0.21 0.00 0.00 66.02 63.68 1aoy s SER 4 CO -0.08 -1.71 1.46 0.00 0.41 0.00 0.00 173.24 173.32 1aoy h ALA 5 N 0.33 0.67 -2.93 1.44 0.00 -2.04 -3.45 119.26 113.27 1aoy h ALA 5 Ca -0.48 -0.64 -0.54 0.00 0.00 0.00 0.00 54.91 53.25 1aoy h ALA 5 Cb 1.27 -0.08 0.10 0.00 0.00 0.00 0.00 17.79 19.08 1aoy h ALA 5 CO 0.54 0.84 0.68 0.15 0.00 0.00 0.00 179.25 181.45 1aoy s LYS 6 N -3.45 3.90 -0.01 0.00 -0.14 -1.26 -4.88 119.74 113.90 1aoy s LYS 6 Ca -0.03 2.35 0.00 0.00 -1.36 0.00 0.00 55.97 56.93 1aoy s LYS 6 Cb 0.11 -2.77 0.01 0.00 -1.68 0.00 0.00 37.83 33.49 1aoy s LYS 6 CO 0.81 -0.62 1.32 1.04 -0.76 0.00 0.00 175.35 177.15 1aoy n GLN 7 N 0.10 1.02 -0.01 1.68 6.02 -1.26 -3.87 117.38 121.06 1aoy n GLN 7 Ca 0.03 -0.05 0.06 0.00 -0.01 0.00 0.00 57.00 57.03 1aoy n GLN 7 Cb 0.42 -1.02 0.32 0.00 1.02 0.00 0.00 30.24 30.98 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 0.78 1.05 -0.09 -1.09 1.02 -1.26 -3.23 120.64 117.82 1aoy n GLU 8 Ca 0.01 -0.08 -0.20 0.00 -0.02 0.00 0.00 57.16 56.87 1aoy n GLU 8 Cb 0.51 -1.18 -0.12 0.00 -0.02 0.00 0.00 31.44 30.63 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 -0.60 0.68 0.12 3.49 -0.58 -1.25 -4.27 120.64 118.23 1aoy n GLU 9 Ca 0.09 0.20 0.20 0.00 -0.42 0.00 0.00 57.16 57.22 1aoy n GLU 9 Cb 0.06 -1.58 0.73 0.00 -0.57 0.00 0.00 31.44 30.08 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 -0.06 0.00 0.02 -4.62 5.85 -1.87 0.29 115.31 114.91 1aoy h LEU 10 Ca -0.54 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.18 1aoy h LEU 10 Cb 1.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.94 1aoy h LEU 10 CO -0.06 0.00 -0.01 0.58 -0.34 0.00 0.00 178.44 178.61 1aoy h VAL 11 N 0.00 1.48 -0.93 1.05 2.07 -1.74 -1.59 116.25 116.58 1aoy h VAL 11 Ca 0.17 -1.61 0.09 0.00 0.82 0.00 0.00 66.70 66.17 1aoy h VAL 11 Cb 1.12 2.54 -0.07 0.00 -1.52 0.00 0.00 31.29 33.36 1aoy h VAL 11 CO -0.00 0.41 0.58 0.11 0.02 0.00 0.00 177.57 178.68 1aoy h LYS 12 N -0.73 0.97 0.09 1.57 6.56 -1.16 -1.27 116.57 122.60 1aoy h LYS 12 Ca -0.00 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1aoy h LYS 12 Cb 0.68 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1aoy h LYS 12 CO 0.00 0.64 -0.04 0.00 -2.06 0.00 0.00 179.45 177.99 1aoy h ALA 13 N 1.46 -0.12 -0.12 3.86 0.00 -1.42 -2.47 119.26 120.46 1aoy h ALA 13 Ca 0.43 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1aoy h ALA 13 Cb 0.29 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1aoy h ALA 13 CO -0.21 -0.50 -0.18 0.35 0.00 0.00 0.00 179.25 178.71 1aoy h PHE 14 N -0.25 -0.47 -0.34 0.00 3.57 -0.51 0.59 116.94 119.53 1aoy h PHE 14 Ca -0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1aoy h PHE 14 Cb 0.21 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1aoy h PHE 14 CO -0.03 -0.26 0.09 0.87 -2.23 0.00 0.00 178.31 176.75 1aoy h LYS 15 N -0.23 0.21 -0.22 1.11 1.79 -1.29 -2.46 116.57 115.48 1aoy h LYS 15 Ca 0.09 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1aoy h LYS 15 Cb 0.37 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1aoy h LYS 15 CO -0.26 0.14 0.09 0.00 -1.08 0.00 0.00 179.45 178.35 1aoy h ALA 16 N 1.23 0.28 -0.54 3.86 0.00 -1.01 -0.80 119.26 122.28 1aoy h ALA 16 Ca 0.16 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1aoy h ALA 16 Cb 0.15 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1aoy h ALA 16 CO -0.19 -0.14 0.13 -0.07 0.00 0.00 0.00 179.25 178.99 1aoy h LEU 17 N 0.20 0.06 0.28 0.00 3.38 -0.72 -0.98 115.31 117.54 1aoy h LEU 17 Ca 0.07 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1aoy h LEU 17 Cb 0.15 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1aoy h LEU 17 CO -0.01 0.05 -0.14 -0.07 0.09 0.00 0.00 178.44 178.37 1aoy h LEU 18 N 0.28 -0.32 -0.92 1.67 3.38 -1.35 -3.23 115.31 114.81 1aoy h LEU 18 Ca 0.27 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1aoy h LEU 18 Cb 0.36 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1aoy h LEU 18 CO -0.33 0.09 0.00 0.29 0.09 0.00 0.00 178.44 178.58 1aoy n LYS 19 N -5.08 0.11 0.13 1.13 5.02 -0.32 -1.30 118.16 117.85 1aoy n LYS 19 Ca -0.09 0.56 0.13 0.00 -2.02 0.00 0.00 58.31 56.89 1aoy n LYS 19 Cb 0.26 -1.81 0.41 0.00 -0.02 0.00 0.00 35.03 33.87 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 -5.19 1.97 4.39 -1.19 -3.47 114.58 111.09 1aoy h GLU 20 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1aoy h GLU 20 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1aoy h GLU 20 CO 0.00 0.00 -0.17 0.39 -1.16 0.00 0.00 179.01 178.07 1aoy n GLU 21 N -2.36 -1.60 0.06 2.33 1.02 -0.42 -4.99 120.64 114.67 1aoy n GLU 21 Ca 0.05 1.65 0.00 0.00 -0.02 0.00 0.00 57.16 58.84 1aoy n GLU 21 Cb 0.40 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.35 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 -1.20 0.00 -2.66 3.49 4.81 -1.26 -4.84 118.16 116.50 1aoy n LYS 22 Ca 0.04 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.07 1aoy n LYS 22 Cb 0.47 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.49 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 3.69 -0.87 5.64 0.08 -1.26 -4.89 117.98 118.37 1aoy s PHE 23 Ca 0.00 1.68 0.18 0.00 0.12 0.00 0.00 56.93 58.92 1aoy s PHE 23 Cb 0.00 -3.15 -0.20 0.00 -0.57 0.00 0.00 43.02 39.10 1aoy s PHE 23 CO 0.00 -0.15 0.79 0.43 -0.10 0.00 0.00 175.22 176.18 1aoy n SER 24 N 3.21 0.87 -3.84 1.36 7.64 -1.26 0.20 113.62 121.81 1aoy n SER 24 Ca 0.04 -0.93 -0.09 0.00 1.01 0.00 0.00 58.87 58.90 1aoy n SER 24 Cb 0.49 1.01 -0.07 0.00 -1.01 0.00 0.00 64.21 64.62 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 -2.76 0.07 0.10 6.43 1.04 -1.26 -4.66 113.70 112.66 1aoy s SER 25 Ca 0.07 -0.56 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 1aoy s SER 25 Cb 0.14 0.34 -0.11 0.00 0.10 0.00 0.00 66.02 66.49 1aoy s SER 25 CO 0.76 -0.70 1.63 1.56 0.98 0.00 0.00 173.24 177.47 1aoy h GLN 26 N 2.88 -0.58 -0.16 4.02 4.20 -1.98 -2.34 115.11 121.15 1aoy h GLN 26 Ca -0.34 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.46 1aoy h GLN 26 Cb 1.20 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 1aoy h GLN 26 CO 0.54 -0.38 0.31 0.78 -0.67 0.00 0.00 178.83 179.40 1aoy h GLY 27 N -0.60 0.00 0.17 3.46 0.00 -1.96 0.21 103.07 104.35 1aoy h GLY 27 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aoy h GLY 27 CO -0.10 0.00 -0.02 -2.09 0.00 0.00 0.00 176.54 174.33 1aoy h GLU 28 N 0.00 -0.06 0.00 4.80 4.81 -1.84 -3.27 114.58 119.02 1aoy h GLU 28 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1aoy h GLU 28 Cb 0.69 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1aoy h GLU 28 CO -0.00 0.58 0.00 0.97 -0.73 0.00 0.00 179.01 179.83 1aoy h ILE 29 N -0.89 0.00 -0.63 2.32 2.10 -1.00 -1.72 117.51 117.69 1aoy h ILE 29 Ca -0.01 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.67 1aoy h ILE 29 Cb 0.66 1.20 -0.03 0.00 -1.09 0.00 0.00 36.82 37.56 1aoy h ILE 29 CO 0.01 0.00 0.41 0.58 -1.08 0.00 0.00 178.15 178.07 1aoy h VAL 30 N 0.00 1.16 -0.02 2.19 2.07 -1.05 -2.39 116.25 118.22 1aoy h VAL 30 Ca 0.00 -0.31 -0.23 0.00 0.82 0.00 0.00 66.70 66.98 1aoy h VAL 30 Cb 0.29 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1aoy h VAL 30 CO 0.00 0.16 -0.94 0.00 0.02 0.00 0.00 177.57 176.81 1aoy h ALA 31 N 1.22 0.32 -0.80 1.67 0.00 -1.38 -3.23 119.26 117.06 1aoy h ALA 31 Ca 0.23 -0.69 0.11 0.00 0.00 0.00 0.00 54.91 54.57 1aoy h ALA 31 Cb -0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 1aoy h ALA 31 CO -0.05 0.76 0.42 0.00 0.00 0.00 0.00 179.25 180.38 1aoy h ALA 32 N 0.65 1.15 0.00 0.00 0.00 -1.11 -0.24 119.26 119.71 1aoy h ALA 32 Ca -0.09 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1aoy h ALA 32 Cb 1.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1aoy h ALA 32 CO 0.17 -0.02 -0.53 -0.07 0.00 0.00 0.00 179.25 178.79 1aoy h LEU 33 N 0.66 0.00 -1.12 0.00 3.38 -1.52 -1.71 115.31 115.00 1aoy h LEU 33 Ca 0.41 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.30 1aoy h LEU 33 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1aoy h LEU 33 CO -0.30 0.53 -0.21 1.56 0.09 0.00 0.00 178.44 180.11 1aoy h GLN 34 N 0.00 0.35 -0.04 1.13 4.20 -1.09 -2.30 115.11 117.35 1aoy h GLN 34 Ca -0.01 -0.11 -0.20 0.00 0.06 0.00 0.00 58.65 58.39 1aoy h GLN 34 Cb 0.97 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 1aoy h GLN 34 CO 0.07 0.56 -0.83 0.93 -0.67 0.00 0.00 178.83 178.88 1aoy h GLU 35 N 0.32 0.42 0.89 1.46 4.39 -0.97 -3.35 114.58 117.74 1aoy h GLU 35 Ca 0.05 -0.39 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 1aoy h GLU 35 Cb 0.56 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1aoy h GLU 35 CO 0.04 1.04 -0.47 1.96 -1.16 0.00 0.00 179.01 180.42 1aoy h GLN 36 N 0.26 -1.20 0.00 2.33 1.08 -0.87 -3.46 115.11 113.24 1aoy h GLN 36 Ca -0.05 0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1aoy h GLN 36 Cb 1.44 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 29.14 1aoy h GLN 36 CO 0.14 -0.80 0.00 0.41 -0.95 0.00 0.00 178.83 177.63 1aoy n GLY 37 N -1.64 0.00 3.60 3.46 0.00 -0.98 -5.11 105.19 104.53 1aoy n GLY 37 Ca -0.16 0.00 -0.24 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 2.53 -0.18 1.61 0.08 -0.91 -5.05 117.98 116.07 1aoy s PHE 38 Ca 0.00 -0.37 -0.14 0.00 0.12 0.00 0.00 56.93 56.55 1aoy s PHE 38 Cb 0.00 -1.32 0.05 0.00 -0.57 0.00 0.00 43.02 41.18 1aoy s PHE 38 CO 0.00 0.56 0.45 0.34 -0.10 0.00 0.00 175.22 176.47 1aoy s ASP 39 N -3.67 -0.51 0.00 1.36 2.15 -1.26 -4.34 116.67 110.40 1aoy s ASP 39 Ca 0.33 0.94 0.00 0.00 0.43 0.00 0.00 52.55 54.25 1aoy s ASP 39 Cb -0.02 0.90 0.00 0.00 -0.30 0.00 0.00 42.92 43.50 1aoy s ASP 39 CO 0.19 -0.17 0.00 -3.20 -0.17 0.00 0.00 175.17 171.81 1aoy n ASN 40 N 3.35 -0.54 -4.70 -0.34 2.85 -1.26 -5.08 115.26 109.55 1aoy n ASN 40 Ca -0.17 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 53.94 1aoy n ASN 40 Cb 0.56 -0.23 -0.08 0.00 1.24 0.00 0.00 39.78 41.27 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 -2.08 5.36 0.22 -1.44 1.09 -1.26 -5.08 121.20 118.02 1aoy s ILE 41 Ca 0.00 0.26 0.02 0.00 -1.10 0.00 0.00 60.65 59.83 1aoy s ILE 41 Cb 0.00 -3.52 -0.01 0.00 -1.06 0.00 0.00 42.46 37.87 1aoy s ILE 41 CO 0.00 0.38 0.07 -0.46 -0.10 0.00 0.00 174.94 174.84 1aoy n ASN 42 N 3.91 1.17 0.18 3.58 6.94 -1.26 -4.95 115.26 124.84 1aoy n ASN 42 Ca -0.15 -2.16 -0.15 0.00 -0.02 0.00 0.00 54.58 52.11 1aoy n ASN 42 Cb 0.52 0.53 -0.08 0.00 -2.36 0.00 0.00 39.78 38.39 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 -0.38 -0.89 -3.83 5.75 -1.98 -2.75 115.11 111.03 1aoy h GLN 43 Ca -0.17 0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.44 1aoy h GLN 43 Cb 0.65 0.09 -0.06 0.00 1.07 0.00 0.00 27.48 29.22 1aoy h GLN 43 CO 0.27 -0.24 0.57 0.77 -2.65 0.00 0.00 178.83 177.56 1aoy h SER 44 N -0.42 0.84 0.02 -0.69 0.02 -1.99 0.83 113.55 112.17 1aoy h SER 44 Ca -0.04 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1aoy h SER 44 Cb 0.32 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1aoy h SER 44 CO 0.07 0.52 -0.11 0.50 -1.14 0.00 0.00 176.83 176.66 1aoy h LYS 45 N 0.94 0.21 0.00 3.45 3.11 -1.95 -1.91 116.57 120.42 1aoy h LYS 45 Ca 0.40 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 58.16 1aoy h LYS 45 Cb 0.31 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.50 1aoy h LYS 45 CO -0.16 0.33 -0.18 0.28 -2.81 0.00 0.00 179.45 176.91 1aoy h VAL 46 N 0.20 1.51 -0.86 2.00 2.07 -0.75 -3.23 116.25 117.19 1aoy h VAL 46 Ca 0.04 -2.20 0.08 0.00 0.82 0.00 0.00 66.70 65.44 1aoy h VAL 46 Cb 0.33 2.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.96 1aoy h VAL 46 CO 0.02 0.51 0.56 0.77 0.02 0.00 0.00 177.57 179.45 1aoy h SER 47 N -1.00 0.79 -0.60 0.57 4.64 -0.92 -0.05 113.55 116.98 1aoy h SER 47 Ca -0.05 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1aoy h SER 47 Cb 0.96 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 1aoy h SER 47 CO -0.03 0.49 0.16 0.03 -0.87 0.00 0.00 176.83 176.61 1aoy h ARG 48 N 0.89 0.99 -0.05 4.77 3.08 -1.49 -2.16 114.38 120.40 1aoy h ARG 48 Ca 0.39 -0.21 -0.19 0.00 0.07 0.00 0.00 59.98 60.03 1aoy h ARG 48 Cb 0.33 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1aoy h ARG 48 CO -0.15 0.87 -0.80 0.52 -1.07 0.00 0.00 179.97 179.34 1aoy h MET 49 N 0.94 0.38 -0.66 0.04 2.86 -1.19 -0.06 114.93 117.24 1aoy h MET 49 Ca 0.20 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1aoy h MET 49 Cb 0.32 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1aoy h MET 49 CO -0.00 1.00 0.20 -0.07 1.06 0.00 0.00 176.91 179.09 1aoy h LEU 50 N 0.24 0.96 0.05 1.22 3.38 -0.82 0.13 115.31 120.48 1aoy h LEU 50 Ca -0.04 -0.21 -0.26 0.00 0.09 0.00 0.00 57.88 57.46 1aoy h LEU 50 Cb 1.39 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1aoy h LEU 50 CO 0.13 0.92 -1.16 0.74 0.09 0.00 0.00 178.44 179.16 1aoy h THR 51 N 0.95 1.51 -0.15 0.22 2.02 -1.42 0.47 112.91 116.50 1aoy h THR 51 Ca 0.21 -3.00 -0.03 0.00 0.77 0.00 0.00 66.41 64.37 1aoy h THR 51 Cb 0.30 2.85 -0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1aoy h THR 51 CO -0.01 0.87 -0.02 0.50 0.37 0.00 0.00 175.52 177.24 1aoy h LYS 52 N 0.09 0.28 0.00 6.66 3.11 -0.85 -3.21 116.57 122.65 1aoy h LYS 52 Ca -0.11 -0.10 -0.15 0.00 -2.81 0.00 0.00 60.65 57.48 1aoy h LYS 52 Cb 1.88 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 33.07 1aoy h LYS 52 CO 0.19 0.54 -0.83 0.74 -2.81 0.00 0.00 179.45 177.29 1aoy h PHE 53 N -0.01 0.00 -2.41 1.91 0.04 -0.85 -3.46 116.94 112.16 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 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1aoy h PHE 53 CO 0.05 0.65 0.00 0.41 -0.60 0.00 0.00 178.31 178.82 1aoy n GLY 54 N 1.30 0.55 3.82 -1.45 0.00 -0.20 -4.46 105.19 104.75 1aoy n GLY 54 Ca -0.01 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.80 3.06 0.00 4.61 0.00 -0.02 -4.36 121.76 122.25 1aoy s ALA 55 Ca 0.00 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.41 1aoy s ALA 55 Cb 0.00 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1aoy s ALA 55 CO 0.00 0.14 -0.12 0.14 0.00 0.00 0.00 175.76 175.92 1aoy s VAL 56 N -2.12 0.96 0.11 0.00 -7.23 0.29 -4.96 120.40 107.46 1aoy s VAL 56 Ca 0.61 -0.64 -0.28 0.00 -1.81 0.00 0.00 61.98 59.86 1aoy s VAL 56 Cb -0.10 -0.83 -0.06 0.00 0.56 0.00 0.00 36.38 35.95 1aoy s VAL 56 CO 0.14 0.18 0.87 -0.13 -0.31 0.00 0.00 175.10 175.85 1aoy s ARG 57 N -0.53 4.63 0.20 4.82 0.52 -1.26 -0.52 118.95 126.82 1aoy s ARG 57 Ca 0.03 1.28 -0.11 0.00 -0.52 0.00 0.00 55.73 56.42 1aoy s ARG 57 Cb -0.05 -3.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 1aoy s ARG 57 CO -0.00 0.32 0.37 -0.08 0.02 0.00 0.00 175.30 175.94 1aoy s THR 58 N -0.32 0.03 0.06 0.02 -1.32 0.63 -4.93 115.64 109.80 1aoy s THR 58 Ca 0.42 -1.37 -0.30 0.00 -1.21 0.00 0.00 61.69 59.22 1aoy s THR 58 Cb -0.23 -2.00 -0.05 0.00 -1.51 0.00 0.00 72.50 68.71 1aoy s THR 58 CO 0.27 -0.14 1.12 -0.60 -2.21 0.00 0.00 174.62 173.07 1aoy s ARG 59 N -3.99 4.49 0.00 7.08 3.52 -1.26 -1.15 118.95 127.64 1aoy s ARG 59 Ca 0.20 1.66 0.00 0.00 -0.13 0.00 0.00 55.73 57.46 1aoy s ARG 59 Cb 0.02 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1aoy s ARG 59 CO 0.04 -0.16 0.00 -1.71 -0.81 0.00 0.00 175.30 172.67 1aoy n ASN 60 N 3.73 -0.12 0.28 -2.12 5.15 0.12 -4.88 115.26 117.42 1aoy n ASN 60 Ca 0.07 -0.79 0.17 0.00 -0.60 0.00 0.00 54.58 53.44 1aoy n ASN 60 Cb 0.48 0.00 0.71 0.00 -0.53 0.00 0.00 39.78 40.43 1aoy n ASN 60 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aoy h ALA 61 N -2.00 1.00 -1.14 5.20 0.00 -1.88 -3.15 119.26 117.29 1aoy h ALA 61 Ca 0.00 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 1aoy h ALA 61 Cb 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.37 1aoy h ALA 61 CO 0.00 0.01 -0.92 1.63 0.00 0.00 0.00 179.25 179.97 1aoy n LYS 62 N -3.10 2.65 -1.14 0.00 4.76 -1.26 -4.97 118.16 115.09 1aoy n LYS 62 Ca 0.00 -4.00 -0.05 0.00 -2.87 0.00 0.00 58.31 51.39 1aoy n LYS 62 Cb 0.30 -1.91 -0.02 0.00 -1.84 0.00 0.00 35.03 31.56 1aoy n LYS 62 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1aoy n MET 63 N -0.41 -1.70 -2.66 1.97 2.81 -1.19 -4.96 117.12 110.97 1aoy n MET 63 Ca 0.28 0.64 -0.42 0.00 -1.81 0.00 0.00 57.70 56.40 1aoy n MET 63 Cb 0.77 -5.00 -0.03 0.00 -0.71 0.00 0.00 33.22 28.25 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 -2.29 4.56 -1.34 0.03 2.02 -1.26 -4.64 118.70 115.78 1aoy s GLU 64 Ca 0.00 1.48 -0.17 0.00 0.02 0.00 0.00 54.97 56.31 1aoy s GLU 64 Cb 0.00 -3.43 0.04 0.00 0.10 0.00 0.00 34.13 30.85 1aoy s GLU 64 CO 0.00 -0.05 1.94 -1.33 0.02 0.00 0.00 175.26 175.84 1aoy n MET 65 N 3.75 2.94 -2.88 1.61 2.81 -1.26 0.16 117.12 124.25 1aoy n MET 65 Ca 0.06 -2.94 -0.19 0.00 -1.81 0.00 0.00 57.70 52.82 1aoy n MET 65 Cb 0.50 -3.41 0.02 0.00 -0.71 0.00 0.00 33.22 29.62 1aoy n MET 65 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1aoy s VAL 66 N 4.18 2.83 0.18 2.03 -7.23 -0.30 -4.74 120.40 117.34 1aoy s VAL 66 Ca 0.52 -0.88 -0.27 0.00 -1.81 0.00 0.00 61.98 59.54 1aoy s VAL 66 Cb 0.08 -2.95 -0.08 0.00 0.56 0.00 0.00 36.38 33.99 1aoy s VAL 66 CO 0.02 0.00 0.83 -0.31 -0.31 0.00 0.00 175.10 175.33 1aoy s TYR 67 N -2.52 3.93 0.29 2.82 2.02 0.13 -0.27 117.35 123.74 1aoy s TYR 67 Ca 0.56 1.72 -0.02 0.00 -0.37 0.00 0.00 57.07 58.95 1aoy s TYR 67 Cb -0.10 -2.83 -0.01 0.00 -0.40 0.00 0.00 41.96 38.61 1aoy s TYR 67 CO 0.35 0.49 0.36 0.00 -1.57 0.00 0.00 175.55 175.18 1aoy s LEU 69 N -3.20 2.05 0.00 0.00 2.96 -1.26 -0.55 118.68 118.69 1aoy s LEU 69 Ca 0.33 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1aoy s LEU 69 Cb 0.02 -1.16 0.00 0.00 0.50 0.00 0.00 46.19 45.55 1aoy s LEU 69 CO 0.17 0.27 0.00 -2.65 -1.32 0.00 0.00 176.35 172.83 1aoy n PRO 70 N 2.47 1.07 -1.14 0.98 -0.02 -1.26 -4.75 135.00 132.35 1aoy n PRO 70 Ca -0.16 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.01 1aoy n PRO 70 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.95 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 6.77 -3.70 3.55 0.00 -1.26 -4.58 120.51 118.29 1aoy n ALA 71 Ca 0.00 -2.92 -0.27 0.00 0.00 0.00 0.00 53.44 50.25 1aoy n ALA 71 Cb 0.00 -3.12 0.03 0.00 0.00 0.00 0.00 19.45 16.36 1aoy n ALA 71 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1aoy n GLU 72 N 3.50 -2.60 -3.06 0.00 -0.58 -1.26 -4.91 120.64 111.74 1aoy n GLU 72 Ca 0.66 0.52 -0.44 0.00 -0.42 0.00 0.00 57.16 57.47 1aoy n GLU 72 Cb 0.32 -4.59 -0.00 0.00 -0.57 0.00 0.00 31.44 26.59 1aoy n GLU 72 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1aoy s LEU 73 N -6.53 5.42 0.00 -4.62 2.96 -1.26 -4.89 118.68 109.76 1aoy s LEU 73 Ca 0.27 -3.13 0.00 0.00 -0.22 0.00 0.00 54.13 51.05 1aoy s LEU 73 Cb -0.09 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.26 1aoy s LEU 73 CO 0.84 -0.63 0.00 0.61 -1.32 0.00 0.00 176.35 175.86 1aoy n GLY 74 N 3.76 1.21 1.61 7.98 0.00 -1.26 -4.61 105.19 113.89 1aoy n GLY 74 Ca 0.33 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1aoy n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1aoy n VAL 75 N -0.01 -7.26 -1.70 1.61 0.31 -1.26 -4.85 118.33 105.17 1aoy n VAL 75 Ca 0.00 1.46 -0.56 0.00 -0.01 0.00 0.00 64.34 65.23 1aoy n VAL 75 Cb 0.00 -4.42 -0.07 0.00 -0.91 0.00 0.00 33.84 28.44 1aoy n VAL 75 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1aoy n PRO 76 N 0.84 1.36 -2.09 5.55 -0.02 -1.26 -4.89 135.00 134.49 1aoy n PRO 76 Ca 0.00 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 1aoy n PRO 76 Cb 0.00 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 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 3.79 2.86 0.00 3.45 -1.32 -1.26 -5.27 115.64 117.89 1aoy s THR 77 Ca 0.98 0.72 0.00 0.00 -1.21 0.00 0.00 61.69 62.18 1aoy s THR 77 Cb -0.99 -3.46 0.00 0.00 -1.51 0.00 0.00 72.50 66.54 1aoy s THR 77 CO 0.63 0.11 0.00 1.07 -2.21 0.00 0.00 174.62 174.22