#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 0.56 0.02 0.03 1.85 -1.26 -5.03 116.66 112.83 1aoy n ARG 2 Ca 0.00 -1.89 -0.12 0.00 -1.00 0.00 0.00 57.85 54.85 1aoy n ARG 2 Cb 0.00 -1.36 -0.09 0.00 -1.05 0.00 0.00 32.46 29.96 1aoy n ARG 2 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1aoy h SER 3 N 4.72 -0.11 -3.33 2.89 0.02 -2.06 -3.44 113.55 112.24 1aoy h SER 3 Ca 0.01 -0.46 -0.53 0.00 -0.84 0.00 0.00 61.79 59.96 1aoy h SER 3 Cb 1.10 0.03 -0.40 0.00 0.14 0.00 0.00 62.40 63.27 1aoy h SER 3 CO 0.07 0.46 -0.77 -0.44 -1.14 0.00 0.00 176.83 175.01 1aoy s SER 4 N -5.61 3.09 0.15 3.07 0.01 -1.26 -4.94 113.70 108.22 1aoy s SER 4 Ca -0.14 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1aoy s SER 4 Cb 0.01 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.54 1aoy s SER 4 CO 0.57 -0.30 0.00 0.00 0.41 0.00 0.00 173.24 173.92 1aoy n ALA 5 N 4.98 0.00 -3.65 1.44 0.00 -1.26 -5.11 120.51 116.91 1aoy n ALA 5 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 1aoy n ALA 5 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.91 3.21 -1.14 0.00 1.02 -1.26 -4.76 119.74 114.89 1aoy s LYS 6 Ca 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.26 1aoy s LYS 6 Cb 0.00 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1aoy s LYS 6 CO 0.00 -0.11 0.00 1.04 -0.92 0.00 0.00 175.35 175.36 1aoy n GLN 7 N 4.44 -1.63 -0.28 1.68 6.02 -1.26 -4.82 117.38 121.53 1aoy n GLN 7 Ca -0.19 0.64 -0.02 0.00 -0.01 0.00 0.00 57.00 57.42 1aoy n GLN 7 Cb 0.51 -4.99 0.01 0.00 1.02 0.00 0.00 30.24 26.79 1aoy n GLN 7 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1aoy n GLU 8 N -2.14 1.10 0.00 -1.09 0.28 -1.26 -3.09 120.64 114.44 1aoy n GLU 8 Ca -0.12 -0.21 0.00 0.00 -0.16 0.00 0.00 57.16 56.67 1aoy n GLU 8 Cb 0.46 -1.08 0.00 0.00 1.43 0.00 0.00 31.44 32.25 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 0.79 1.81 -0.15 3.44 1.02 -1.26 -4.72 120.64 121.58 1aoy n GLU 9 Ca 0.04 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.38 1aoy n GLU 9 Cb 0.55 -0.93 0.59 0.00 -0.02 0.00 0.00 31.44 31.64 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 0.22 -0.27 -4.62 7.12 -1.96 0.17 115.31 115.98 1aoy h LEU 10 Ca 0.00 0.02 -0.10 0.00 0.13 0.00 0.00 57.88 57.93 1aoy h LEU 10 Cb 0.85 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 1aoy h LEU 10 CO 0.00 0.10 -0.22 0.58 -0.13 0.00 0.00 178.44 178.77 1aoy h VAL 11 N 0.23 1.31 -0.32 1.05 2.07 -1.85 0.31 116.25 119.05 1aoy h VAL 11 Ca 0.38 -1.37 -0.16 0.00 0.82 0.00 0.00 66.70 66.36 1aoy h VAL 11 Cb 1.13 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1aoy h VAL 11 CO -0.08 0.43 -0.44 0.11 0.02 0.00 0.00 177.57 177.61 1aoy h LYS 12 N 0.36 0.87 -0.46 1.57 6.56 -1.35 -2.58 116.57 121.54 1aoy h LYS 12 Ca 0.05 -0.50 -0.04 0.00 -1.06 0.00 0.00 60.65 59.09 1aoy h LYS 12 Cb 0.77 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.45 1aoy h LYS 12 CO 0.06 1.14 0.12 0.00 -2.06 0.00 0.00 179.45 178.72 1aoy h ALA 13 N 0.72 0.61 -0.06 3.86 0.00 -0.73 -1.70 119.26 121.95 1aoy h ALA 13 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1aoy h ALA 13 Cb 1.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1aoy h ALA 13 CO 0.10 0.28 -0.10 0.35 0.00 0.00 0.00 179.25 179.89 1aoy h PHE 14 N 0.62 -0.24 -0.47 0.00 3.57 -0.33 -0.13 116.94 119.95 1aoy h PHE 14 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1aoy h PHE 14 Cb 0.30 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1aoy h PHE 14 CO 0.02 -0.15 0.31 0.87 -2.23 0.00 0.00 178.31 177.13 1aoy h LYS 15 N -0.13 0.62 -0.34 1.11 1.57 -1.41 -2.72 116.57 115.27 1aoy h LYS 15 Ca 0.06 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1aoy h LYS 15 Cb 0.22 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1aoy h LYS 15 CO -0.15 0.41 0.18 0.00 -0.57 0.00 0.00 179.45 179.33 1aoy h ALA 16 N 1.17 0.42 -0.35 3.86 0.00 -0.87 0.07 119.26 123.56 1aoy h ALA 16 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1aoy h ALA 16 Cb -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1aoy h ALA 16 CO -0.04 -0.18 0.10 -0.07 0.00 0.00 0.00 179.25 179.06 1aoy h LEU 17 N 0.38 0.07 0.19 0.00 3.38 -0.89 -1.12 115.31 117.31 1aoy h LEU 17 Ca 0.14 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1aoy h LEU 17 Cb 0.03 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1aoy h LEU 17 CO -0.08 0.08 -0.09 -0.07 0.09 0.00 0.00 178.44 178.37 1aoy h LEU 18 N 0.23 -0.21 -2.62 1.67 3.38 -1.24 -3.10 115.31 113.43 1aoy h LEU 18 Ca 0.16 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1aoy h LEU 18 Cb 0.16 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1aoy h LEU 18 CO -0.19 0.10 -0.01 0.11 0.09 0.00 0.00 178.44 178.54 1aoy h LYS 19 N -0.54 0.00 0.00 1.13 1.57 -0.88 -0.18 116.57 117.67 1aoy h LYS 19 Ca -0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1aoy h LYS 19 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1aoy h LYS 19 CO 0.04 0.01 -0.17 0.93 -0.57 0.00 0.00 179.45 179.69 1aoy h GLU 20 N 0.00 0.00 -4.86 3.15 4.39 -1.12 -3.47 114.58 112.67 1aoy h GLU 20 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 1aoy h GLU 20 Cb 0.09 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 28.90 1aoy h GLU 20 CO 0.00 0.17 -0.65 0.39 -1.16 0.00 0.00 179.01 177.76 1aoy n GLU 21 N -3.28 -1.79 -0.94 2.33 1.02 -0.08 -4.99 120.64 112.91 1aoy n GLU 21 Ca 0.01 0.66 0.02 0.00 -0.02 0.00 0.00 57.16 57.82 1aoy n GLU 21 Cb 0.43 -4.80 0.01 0.00 -0.02 0.00 0.00 31.44 27.06 1aoy n GLU 21 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1aoy n LYS 22 N -2.83 0.00 -3.65 3.49 2.85 -1.26 -4.87 118.16 111.89 1aoy n LYS 22 Ca -0.06 -1.42 -0.22 0.00 -1.05 0.00 0.00 58.31 55.56 1aoy n LYS 22 Cb 0.59 -0.27 -0.18 0.00 -0.65 0.00 0.00 35.03 34.53 1aoy n LYS 22 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1aoy s PHE 23 N 0.00 0.10 -2.29 5.58 0.08 -1.26 -5.00 117.98 115.19 1aoy s PHE 23 Ca 0.15 0.06 0.22 0.00 0.12 0.00 0.00 56.93 57.47 1aoy s PHE 23 Cb 0.17 -0.55 0.52 0.00 -0.57 0.00 0.00 43.02 42.58 1aoy s PHE 23 CO -0.07 -0.31 1.45 -1.13 -0.10 0.00 0.00 175.22 175.06 1aoy n SER 24 N 5.29 3.30 -3.53 1.36 3.41 -1.26 -0.38 113.62 121.82 1aoy n SER 24 Ca -0.04 -1.97 -0.11 0.00 -0.26 0.00 0.00 58.87 56.49 1aoy n SER 24 Cb 0.50 -0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.32 -0.49 0.04 4.04 1.04 -1.26 -4.79 113.70 110.95 1aoy s SER 25 Ca 0.40 -0.15 -0.27 0.00 0.48 0.00 0.00 55.95 56.41 1aoy s SER 25 Cb 0.22 0.63 -0.17 0.00 0.10 0.00 0.00 66.02 66.80 1aoy s SER 25 CO 0.31 -1.06 1.45 1.56 0.98 0.00 0.00 173.24 176.48 1aoy h GLN 26 N 2.00 -0.40 -1.10 4.02 7.50 -1.96 -3.10 115.11 122.07 1aoy h GLN 26 Ca -0.30 0.03 0.31 0.00 0.50 0.00 0.00 58.65 59.18 1aoy h GLN 26 Cb 1.29 0.09 -0.07 0.00 0.05 0.00 0.00 27.48 28.85 1aoy h GLN 26 CO 0.34 -0.15 0.76 0.78 -1.50 0.00 0.00 178.83 179.06 1aoy h GLY 27 N -0.61 0.51 0.80 3.46 0.00 -1.95 0.56 103.07 105.83 1aoy h GLY 27 Ca -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1aoy h GLY 27 CO 0.07 -0.06 -0.04 -2.09 0.00 0.00 0.00 176.54 174.42 1aoy h GLU 28 N 0.16 0.36 0.00 4.80 4.57 -1.96 -2.48 114.58 120.03 1aoy h GLU 28 Ca 0.57 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.57 1aoy h GLU 28 Cb 1.91 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.48 1aoy h GLU 28 CO -0.13 0.61 -0.20 0.97 -1.18 0.00 0.00 179.01 179.07 1aoy h ILE 29 N 0.08 0.40 0.40 2.32 2.10 -1.04 -2.40 117.51 119.38 1aoy h ILE 29 Ca 0.05 -1.27 -0.02 0.00 1.08 0.00 0.00 64.86 64.70 1aoy h ILE 29 Cb 0.47 1.95 0.00 0.00 -1.09 0.00 0.00 36.82 38.16 1aoy h ILE 29 CO 0.02 0.20 -0.19 0.58 -1.08 0.00 0.00 178.15 177.67 1aoy h VAL 30 N 0.00 0.61 -0.44 2.19 2.07 -0.86 -1.94 116.25 117.88 1aoy h VAL 30 Ca -0.00 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1aoy h VAL 30 Cb 0.94 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1aoy h VAL 30 CO 0.03 0.04 0.04 0.00 0.02 0.00 0.00 177.57 177.70 1aoy h ALA 31 N -0.11 1.25 0.02 1.67 0.00 -1.45 -2.49 119.26 118.15 1aoy h ALA 31 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1aoy h ALA 31 Cb 0.48 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1aoy h ALA 31 CO 0.09 0.51 -0.03 0.00 0.00 0.00 0.00 179.25 179.82 1aoy h ALA 32 N 1.38 -0.05 -0.13 0.00 0.00 -1.27 -2.11 119.26 117.08 1aoy h ALA 32 Ca 0.14 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1aoy h ALA 32 Cb 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1aoy h ALA 32 CO 0.01 -0.53 -0.29 -0.07 0.00 0.00 0.00 179.25 178.36 1aoy h LEU 33 N -0.06 0.25 -1.40 0.00 3.38 -1.28 -2.19 115.31 114.02 1aoy h LEU 33 Ca 0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1aoy h LEU 33 Cb 0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1aoy h LEU 33 CO -0.02 0.54 0.18 1.56 0.09 0.00 0.00 178.44 180.80 1aoy h GLN 34 N 0.22 0.59 -0.19 1.13 4.20 -1.12 -1.91 115.11 118.03 1aoy h GLN 34 Ca 0.03 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.48 1aoy h GLN 34 Cb 0.64 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1aoy h GLN 34 CO 0.05 0.48 -0.65 0.93 -0.67 0.00 0.00 178.83 178.97 1aoy h GLU 35 N 0.59 0.71 0.52 1.46 5.08 -0.82 -3.35 114.58 118.77 1aoy h GLU 35 Ca 0.15 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1aoy h GLU 35 Cb 0.10 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1aoy h GLU 35 CO -0.02 1.13 -0.27 1.96 -1.00 0.00 0.00 179.01 180.81 1aoy h GLN 36 N 0.52 -0.70 0.00 2.33 4.20 -0.78 -3.46 115.11 117.22 1aoy h GLN 36 Ca -0.01 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1aoy h GLN 36 Cb 1.25 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.18 1aoy h GLN 36 CO 0.13 -0.46 0.00 0.41 -0.67 0.00 0.00 178.83 178.24 1aoy n GLY 37 N -1.36 0.00 3.01 3.46 0.00 -0.83 -5.12 105.19 104.35 1aoy n GLY 37 Ca -0.09 0.00 -0.31 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 3.11 -0.81 1.61 0.40 -0.87 -4.97 117.98 116.45 1aoy s PHE 38 Ca 0.00 -2.35 0.15 0.00 -0.60 0.00 0.00 56.93 54.13 1aoy s PHE 38 Cb 0.00 -2.12 0.72 0.00 0.51 0.00 0.00 43.02 42.13 1aoy s PHE 38 CO 0.00 -0.87 1.61 -3.47 0.70 0.00 0.00 175.22 173.19 1aoy n ASP 39 N 4.46 4.88 -2.89 1.36 2.03 -1.26 -3.92 116.55 121.22 1aoy n ASP 39 Ca -0.08 -2.60 -0.20 0.00 0.52 0.00 0.00 54.79 52.43 1aoy n ASP 39 Cb 0.42 -0.61 -0.01 0.00 -0.72 0.00 0.00 41.12 40.20 1aoy n ASP 39 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1aoy n ASN 40 N 0.86 2.63 -3.82 1.67 2.85 -1.26 -5.07 115.26 113.12 1aoy n ASN 40 Ca 0.25 -3.25 -0.14 0.00 -0.11 0.00 0.00 54.58 51.33 1aoy n ASN 40 Cb 0.97 -0.56 -0.15 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 -3.67 -0.02 0.32 -1.44 -1.09 -1.26 -5.06 121.20 108.98 1aoy s ILE 41 Ca 0.41 0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.92 1aoy s ILE 41 Cb 0.36 -0.06 -0.00 0.00 -1.58 0.00 0.00 42.46 41.18 1aoy s ILE 41 CO -0.09 0.05 0.43 0.54 -1.23 0.00 0.00 174.94 174.65 1aoy s ASN 42 N 0.58 0.85 0.20 3.58 2.20 -1.26 -4.99 114.94 116.10 1aoy s ASN 42 Ca -0.05 -1.46 -0.10 0.00 -0.94 0.00 0.00 52.86 50.32 1aoy s ASN 42 Cb -0.07 0.63 0.23 0.00 -2.00 0.00 0.00 41.25 40.04 1aoy s ASN 42 CO -0.02 -1.23 1.80 -0.61 -2.94 0.00 0.00 177.10 174.10 1aoy h GLN 43 N 2.16 0.61 -0.63 3.55 4.15 -1.97 -0.65 115.11 122.33 1aoy h GLN 43 Ca -0.28 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.05 1aoy h GLN 43 Cb 1.24 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.77 1aoy h GLN 43 CO 0.39 0.40 0.21 0.77 -1.93 0.00 0.00 178.83 178.67 1aoy h SER 44 N 0.63 0.90 -0.02 -0.69 0.02 -1.98 0.69 113.55 113.09 1aoy h SER 44 Ca 0.29 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 1aoy h SER 44 Cb 0.20 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1aoy h SER 44 CO -0.19 0.86 -0.20 0.50 -1.14 0.00 0.00 176.83 176.66 1aoy h LYS 45 N 0.90 0.39 0.07 3.45 3.64 -1.83 -1.07 116.57 122.11 1aoy h LYS 45 Ca 0.20 -0.12 -0.26 0.00 -1.27 0.00 0.00 60.65 59.20 1aoy h LYS 45 Cb 0.27 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1aoy h LYS 45 CO -0.01 0.58 -1.05 0.28 -2.27 0.00 0.00 179.45 176.98 1aoy h VAL 46 N 0.35 1.32 -0.24 2.00 2.07 -0.80 -2.03 116.25 118.92 1aoy h VAL 46 Ca 0.06 -2.34 -0.11 0.00 0.82 0.00 0.00 66.70 65.13 1aoy h VAL 46 Cb 0.56 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1aoy h VAL 46 CO 0.04 0.71 -0.31 0.77 0.02 0.00 0.00 177.57 178.80 1aoy h SER 47 N 0.20 0.49 -0.14 0.57 4.64 -0.80 0.29 113.55 118.79 1aoy h SER 47 Ca -0.15 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 1aoy h SER 47 Cb 1.74 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1aoy h SER 47 CO 0.20 0.78 -0.01 0.03 -0.87 0.00 0.00 176.83 176.96 1aoy h ARG 48 N 0.42 0.26 -0.71 4.77 3.08 -1.24 -2.14 114.38 118.82 1aoy h ARG 48 Ca 0.05 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1aoy h ARG 48 Cb 0.75 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1aoy h ARG 48 CO 0.06 0.52 0.32 0.52 -1.07 0.00 0.00 179.97 180.32 1aoy h MET 49 N -0.01 1.02 -0.60 0.04 2.86 -1.20 0.20 114.93 117.24 1aoy h MET 49 Ca 0.04 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1aoy h MET 49 Cb 0.40 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1aoy h MET 49 CO 0.01 0.80 0.37 -0.07 1.06 0.00 0.00 176.91 179.09 1aoy h LEU 50 N 1.01 0.71 -0.11 1.22 3.38 -0.82 0.12 115.31 120.82 1aoy h LEU 50 Ca 0.24 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1aoy h LEU 50 Cb 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1aoy h LEU 50 CO -0.03 0.55 -0.18 0.74 0.09 0.00 0.00 178.44 179.61 1aoy h THR 51 N 0.81 1.38 -0.49 0.22 2.02 -0.97 0.21 112.91 116.09 1aoy h THR 51 Ca 0.22 -1.42 0.01 0.00 0.77 0.00 0.00 66.41 65.99 1aoy h THR 51 Cb -0.04 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1aoy h THR 51 CO -0.04 0.41 0.31 0.50 0.37 0.00 0.00 175.52 177.07 1aoy h LYS 52 N -0.10 0.61 -0.01 6.66 3.64 -0.45 -2.06 116.57 124.87 1aoy h LYS 52 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1aoy h LYS 52 Cb 0.75 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1aoy h LYS 52 CO 0.04 0.41 -0.00 1.19 -2.27 0.00 0.00 179.45 178.82 1aoy n PHE 53 N -4.77 0.00 -3.25 1.91 3.72 0.39 -4.94 117.46 110.53 1aoy n PHE 53 Ca 0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.26 1aoy n PHE 53 Cb 0.04 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.07 -0.17 3.77 1.37 0.00 -0.78 -4.82 105.19 105.63 1aoy n GLY 54 Ca 0.22 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.25 2.96 0.08 4.61 0.00 0.69 -4.37 121.76 122.48 1aoy s ALA 55 Ca 0.30 0.88 0.07 0.00 0.00 0.00 0.00 51.96 53.21 1aoy s ALA 55 Cb -0.13 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1aoy s ALA 55 CO 0.55 -0.58 -0.18 0.14 0.00 0.00 0.00 175.76 175.69 1aoy s VAL 56 N -1.60 1.46 -0.41 0.00 -7.23 0.43 -4.88 120.40 108.16 1aoy s VAL 56 Ca 0.64 -1.40 -0.23 0.00 -1.81 0.00 0.00 61.98 59.18 1aoy s VAL 56 Cb -0.27 -1.34 0.02 0.00 0.56 0.00 0.00 36.38 35.35 1aoy s VAL 56 CO 0.32 -0.10 0.76 -0.13 -0.31 0.00 0.00 175.10 175.65 1aoy s ARG 57 N -1.74 3.54 0.21 4.82 0.52 -1.26 -0.18 118.95 124.86 1aoy s ARG 57 Ca 0.03 0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.26 1aoy s ARG 57 Cb -0.10 -3.88 -0.04 0.00 0.52 0.00 0.00 34.95 31.45 1aoy s ARG 57 CO 0.03 -0.98 0.16 0.95 0.02 0.00 0.00 175.30 175.48 1aoy s THR 58 N 3.14 0.00 0.11 0.02 -4.23 0.21 -4.90 115.64 109.99 1aoy s THR 58 Ca 0.29 -1.97 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 1aoy s THR 58 Cb -0.13 -2.49 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 1aoy s THR 58 CO 0.20 0.00 0.94 -0.13 -0.54 0.00 0.00 174.62 175.09 1aoy s ARG 59 N -4.10 4.69 0.00 3.99 0.52 -1.26 -0.79 118.95 122.00 1aoy s ARG 59 Ca 0.38 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 57.01 1aoy s ARG 59 Cb 0.06 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 32.17 1aoy s ARG 59 CO 0.13 0.25 0.00 0.27 0.02 0.00 0.00 175.30 175.97 1aoy n ASN 60 N 2.68 0.00 0.18 0.23 6.94 -0.93 -4.89 115.26 119.48 1aoy n ASN 60 Ca 0.01 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.63 1aoy n ASN 60 Cb 0.49 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 38.18 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 -1.69 0.91 -1.80 -2.53 0.00 -1.91 -3.33 119.26 108.91 1aoy h ALA 61 Ca 0.00 -0.36 -0.55 0.00 0.00 0.00 0.00 54.91 54.00 1aoy h ALA 61 Cb 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 17.79 17.31 1aoy h ALA 61 CO 0.00 0.49 -0.80 1.63 0.00 0.00 0.00 179.25 180.58 1aoy n LYS 62 N -3.43 2.85 -4.22 0.00 4.76 -1.26 -4.99 118.16 111.87 1aoy n LYS 62 Ca 0.00 -4.38 -0.34 0.00 -2.87 0.00 0.00 58.31 50.72 1aoy n LYS 62 Cb 0.56 -2.08 -0.06 0.00 -1.84 0.00 0.00 35.03 31.61 1aoy n LYS 62 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aoy n MET 63 N -0.27 -1.03 -4.50 1.97 0.00 -1.25 -4.97 117.12 107.07 1aoy n MET 63 Ca 0.31 0.12 -0.33 0.00 0.00 0.00 0.00 57.70 57.80 1aoy n MET 63 Cb 0.58 -3.45 -0.15 0.00 0.00 0.00 0.00 33.22 30.20 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 -7.29 3.30 -0.77 3.17 2.02 -1.26 -4.88 118.70 112.98 1aoy s GLU 64 Ca 0.12 -0.71 -0.25 0.00 0.02 0.00 0.00 54.97 54.15 1aoy s GLU 64 Cb -0.07 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 1aoy s GLU 64 CO 0.98 0.05 1.82 -1.64 0.02 0.00 0.00 175.26 176.49 1aoy s MET 65 N 0.77 2.71 0.21 1.61 -1.94 -1.26 -2.18 119.30 119.21 1aoy s MET 65 Ca -0.05 0.05 0.04 0.00 -1.71 0.00 0.00 55.69 54.02 1aoy s MET 65 Cb -0.15 -4.72 -0.05 0.00 2.01 0.00 0.00 34.83 31.92 1aoy s MET 65 CO 0.01 -2.92 -0.05 0.14 -0.01 0.00 0.00 175.02 172.19 1aoy s VAL 66 N 8.93 1.19 -0.07 -6.03 -7.23 0.03 -4.59 120.40 112.63 1aoy s VAL 66 Ca 0.64 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 1aoy s VAL 66 Cb -0.09 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1aoy s VAL 66 CO 0.09 -0.48 1.25 -0.31 -0.31 0.00 0.00 175.10 175.34 1aoy s TYR 67 N -3.32 3.05 0.32 2.82 2.02 0.49 -0.62 117.35 122.12 1aoy s TYR 67 Ca 0.24 1.10 0.03 0.00 -0.37 0.00 0.00 57.07 58.07 1aoy s TYR 67 Cb 0.04 -3.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.07 1aoy s TYR 67 CO 0.06 -1.61 0.11 0.00 -1.57 0.00 0.00 175.55 172.54 1aoy s LEU 69 N -3.44 2.57 0.00 0.00 2.96 -1.26 -0.43 118.68 119.07 1aoy s LEU 69 Ca 0.34 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1aoy s LEU 69 Cb 0.06 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.25 1aoy s LEU 69 CO 0.15 0.31 0.00 -2.65 -1.32 0.00 0.00 176.35 172.84 1aoy n PRO 70 N 2.03 2.98 0.00 0.98 -0.02 -1.26 -4.91 135.00 134.80 1aoy n PRO 70 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1aoy n PRO 70 Cb 0.52 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 0.00 -2.09 3.55 0.00 -1.26 -4.79 120.51 112.93 1aoy n ALA 71 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1aoy n ALA 71 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1aoy n ALA 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1aoy s GLU 72 N -0.74 2.55 -0.43 0.00 2.02 -1.26 -4.87 118.70 115.97 1aoy s GLU 72 Ca 0.00 -1.22 -0.07 0.00 0.02 0.00 0.00 54.97 53.70 1aoy s GLU 72 Cb 0.00 -5.26 0.10 0.00 0.10 0.00 0.00 34.13 29.07 1aoy s GLU 72 CO 0.00 -3.94 0.26 -1.17 0.02 0.00 0.00 175.26 170.43 1aoy s LEU 73 N 10.81 5.28 0.11 1.80 0.20 -1.26 -4.85 118.68 130.77 1aoy s LEU 73 Ca 0.68 -1.77 0.00 0.00 0.69 0.00 0.00 54.13 53.73 1aoy s LEU 73 Cb -0.00 -1.93 0.00 0.00 -0.43 0.00 0.00 46.19 43.82 1aoy s LEU 73 CO 0.13 -0.57 0.00 0.61 -0.29 0.00 0.00 176.35 176.23 1aoy n GLY 74 N 4.81 -0.08 3.63 7.98 0.00 -1.26 -4.85 105.19 115.41 1aoy n GLY 74 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1aoy n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aoy s VAL 75 N -2.00 0.00 0.09 1.61 0.11 -1.26 -4.87 120.40 114.08 1aoy s VAL 75 Ca 0.00 0.00 0.32 0.00 -2.93 0.00 0.00 61.98 59.37 1aoy s VAL 75 Cb 0.00 -1.00 0.33 0.00 -1.53 0.00 0.00 36.38 34.18 1aoy s VAL 75 CO 0.00 0.00 1.97 -0.65 -3.33 0.00 0.00 175.10 173.09 1aoy h PRO 76 N 5.53 0.00 -2.85 1.54 0.11 -1.99 -3.40 132.00 130.93 1aoy h PRO 76 Ca -0.29 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.55 1aoy h PRO 76 Cb 1.18 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.94 1aoy h PRO 76 CO 0.08 0.00 -0.59 -0.08 -0.21 0.00 0.00 178.00 177.20 1aoy s THR 77 N -3.73 -0.34 0.00 -1.15 -1.32 -1.26 -5.28 115.64 102.57 1aoy s THR 77 Ca -0.01 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1aoy s THR 77 Cb 0.09 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 1aoy s THR 77 CO 0.37 0.04 0.00 1.07 -2.21 0.00 0.00 174.62 173.89