#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 4.24 -0.08 0.03 5.12 -1.26 -4.61 116.66 120.10 1aoy n ARG 2 Ca 0.00 -4.33 -0.16 0.00 -1.93 0.00 0.00 57.85 51.44 1aoy n ARG 2 Cb 0.00 -2.61 -0.06 0.00 -1.16 0.00 0.00 32.46 28.63 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 2.00 1.40 -2.37 0.55 7.64 -1.26 -4.68 113.62 116.90 1aoy n SER 3 Ca 0.29 0.14 -0.21 0.00 1.01 0.00 0.00 58.87 60.11 1aoy n SER 3 Cb 0.34 -0.42 -0.12 0.00 -1.01 0.00 0.00 64.21 63.01 1aoy n SER 3 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1aoy n SER 4 N -3.57 6.14 -2.76 6.43 7.64 -1.26 -4.40 113.62 121.84 1aoy n SER 4 Ca -0.30 -2.71 -0.05 0.00 1.01 0.00 0.00 58.87 56.82 1aoy n SER 4 Cb 0.73 -1.39 0.02 0.00 -1.01 0.00 0.00 64.21 62.56 1aoy n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aoy n ALA 5 N 2.18 -1.76 -2.51 -0.43 0.00 -1.26 -5.06 120.51 111.66 1aoy n ALA 5 Ca 0.50 -1.11 -0.40 0.00 0.00 0.00 0.00 53.44 52.42 1aoy n ALA 5 Cb 0.71 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 0.83 3.65 -1.52 0.00 -2.85 -1.26 -4.07 119.74 114.51 1aoy s LYS 6 Ca 0.30 -1.48 0.00 0.00 -1.00 0.00 0.00 55.97 53.79 1aoy s LYS 6 Cb 0.04 -5.42 0.00 0.00 -2.06 0.00 0.00 37.83 30.40 1aoy s LYS 6 CO -0.09 -2.41 0.00 0.94 0.10 0.00 0.00 175.35 173.89 1aoy n GLN 7 N 8.62 -1.19 0.00 1.78 7.27 -1.26 -4.89 117.38 127.72 1aoy n GLN 7 Ca 0.41 0.92 0.14 0.00 0.07 0.00 0.00 57.00 58.54 1aoy n GLN 7 Cb 0.48 -5.20 0.62 0.00 2.41 0.00 0.00 30.24 28.55 1aoy n GLN 7 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1aoy n GLU 8 N -2.53 0.23 0.06 3.69 1.02 -1.26 -3.74 120.64 118.11 1aoy n GLU 8 Ca -0.17 -0.04 -0.22 0.00 -0.02 0.00 0.00 57.16 56.71 1aoy n GLU 8 Cb 0.58 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.36 1aoy n GLU 8 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1aoy h GLU 9 N 0.09 0.35 -0.37 3.49 5.08 -1.90 -2.52 114.58 118.80 1aoy h GLU 9 Ca 0.00 -0.60 0.02 0.00 -1.00 0.00 0.00 59.36 57.78 1aoy h GLU 9 Cb 0.42 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1aoy h GLU 9 CO 0.00 1.29 0.24 1.25 -1.00 0.00 0.00 179.01 180.79 1aoy h LEU 10 N -0.18 0.37 0.09 1.33 5.85 -1.98 -1.24 115.31 119.54 1aoy h LEU 10 Ca -0.24 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1aoy h LEU 10 Cb 1.85 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1aoy h LEU 10 CO 0.16 0.26 -0.04 0.58 -0.34 0.00 0.00 178.44 179.05 1aoy h VAL 11 N 0.43 1.09 -0.84 1.05 2.07 -1.65 -0.93 116.25 117.48 1aoy h VAL 11 Ca 0.14 -1.37 0.15 0.00 0.82 0.00 0.00 66.70 66.44 1aoy h VAL 11 Cb 0.05 1.88 -0.09 0.00 -1.52 0.00 0.00 31.29 31.61 1aoy h VAL 11 CO -0.03 0.30 0.42 0.11 0.02 0.00 0.00 177.57 178.39 1aoy h LYS 12 N -0.83 0.58 0.01 1.57 6.56 -1.24 -0.60 116.57 122.62 1aoy h LYS 12 Ca -0.01 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1aoy h LYS 12 Cb 0.59 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1aoy h LYS 12 CO 0.02 0.38 -0.01 0.00 -2.06 0.00 0.00 179.45 177.79 1aoy h ALA 13 N 1.56 -0.02 0.21 3.86 0.00 -1.29 -2.23 119.26 121.36 1aoy h ALA 13 Ca 0.46 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.29 1aoy h ALA 13 Cb 0.66 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1aoy h ALA 13 CO -0.37 -0.43 -0.51 0.35 0.00 0.00 0.00 179.25 178.30 1aoy h PHE 14 N -0.18 -1.45 -0.75 0.00 3.57 0.17 -0.32 116.94 117.98 1aoy h PHE 14 Ca -0.00 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.69 1aoy h PHE 14 Cb 0.17 0.61 -0.11 0.00 2.79 0.00 0.00 35.95 39.41 1aoy h PHE 14 CO -0.02 -0.59 0.23 0.87 -2.23 0.00 0.00 178.31 176.57 1aoy h LYS 15 N -0.79 0.32 -0.17 1.11 1.79 -1.22 -1.96 116.57 115.65 1aoy h LYS 15 Ca -0.02 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1aoy h LYS 15 Cb 0.76 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1aoy h LYS 15 CO -0.22 0.21 0.09 0.00 -1.08 0.00 0.00 179.45 178.45 1aoy h ALA 16 N 1.60 0.22 -0.75 3.86 0.00 -0.90 -1.01 119.26 122.27 1aoy h ALA 16 Ca 0.42 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.36 1aoy h ALA 16 Cb 0.71 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1aoy h ALA 16 CO -0.48 -0.24 0.39 -0.07 0.00 0.00 0.00 179.25 178.86 1aoy h LEU 17 N 0.16 0.52 -0.04 0.00 3.38 -0.32 -0.70 115.31 118.31 1aoy h LEU 17 Ca 0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1aoy h LEU 17 Cb 0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1aoy h LEU 17 CO -0.01 0.29 -0.03 -0.07 0.09 0.00 0.00 178.44 178.71 1aoy h LEU 18 N 0.65 0.10 -1.66 1.67 3.38 -1.34 -3.15 115.31 114.97 1aoy h LEU 18 Ca 0.37 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1aoy h LEU 18 Cb 0.38 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1aoy h LEU 18 CO -0.27 0.53 0.00 0.11 0.09 0.00 0.00 178.44 178.90 1aoy h LYS 19 N -0.32 0.00 0.00 1.13 1.57 -0.73 -0.60 116.57 117.62 1aoy h LYS 19 Ca 0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1aoy h LYS 19 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1aoy h LYS 19 CO 0.01 0.00 -0.17 0.93 -0.57 0.00 0.00 179.45 179.65 1aoy h GLU 20 N 0.00 0.00 -4.85 3.15 5.08 -1.09 -3.47 114.58 113.40 1aoy h GLU 20 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1aoy h GLU 20 Cb 0.14 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.44 1aoy h GLU 20 CO 0.00 0.17 -0.20 0.39 -1.00 0.00 0.00 179.01 178.36 1aoy n GLU 21 N -3.23 -1.24 0.04 2.33 1.02 -0.23 -4.99 120.64 114.35 1aoy n GLU 21 Ca 0.01 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 1aoy n GLU 21 Cb 0.47 -4.81 0.00 0.00 -0.02 0.00 0.00 31.44 27.09 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 -1.97 0.00 -2.90 3.49 3.00 -1.26 -4.79 118.16 113.73 1aoy n LYS 22 Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.89 1aoy n LYS 22 Cb 0.53 -0.25 -0.05 0.00 0.00 0.00 0.00 35.03 35.26 1aoy n LYS 22 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1aoy s PHE 23 N -2.00 3.76 -0.10 5.64 0.08 -1.26 -4.89 117.98 119.21 1aoy s PHE 23 Ca 0.00 1.57 0.18 0.00 0.12 0.00 0.00 56.93 58.81 1aoy s PHE 23 Cb 0.00 -2.89 -0.27 0.00 -0.57 0.00 0.00 43.02 39.28 1aoy s PHE 23 CO 0.00 0.25 0.26 -1.13 -0.10 0.00 0.00 175.22 174.50 1aoy n SER 24 N 2.82 0.45 -4.38 1.36 3.41 -1.26 0.36 113.62 116.38 1aoy n SER 24 Ca -0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.41 1aoy n SER 24 Cb 0.50 1.46 -0.10 0.00 -0.26 0.00 0.00 64.21 65.81 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 -4.75 2.18 0.05 4.04 1.04 -1.26 -4.53 113.70 110.46 1aoy s SER 25 Ca -0.08 -1.24 -0.34 0.00 0.48 0.00 0.00 55.95 54.78 1aoy s SER 25 Cb 0.09 -0.06 -0.19 0.00 0.10 0.00 0.00 66.02 65.97 1aoy s SER 25 CO 0.79 -0.48 1.45 1.56 0.98 0.00 0.00 173.24 177.55 1aoy h GLN 26 N 2.36 -1.08 -1.14 4.02 4.20 -1.96 -3.22 115.11 118.29 1aoy h GLN 26 Ca -0.39 0.07 0.43 0.00 0.06 0.00 0.00 58.65 58.82 1aoy h GLN 26 Cb 1.23 0.25 -0.16 0.00 0.30 0.00 0.00 27.48 29.09 1aoy h GLN 26 CO 0.66 -0.71 0.67 0.78 -0.67 0.00 0.00 178.83 179.56 1aoy h GLY 27 N -1.21 1.92 0.80 3.46 0.00 -1.97 0.70 103.07 106.78 1aoy h GLY 27 Ca -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1aoy h GLY 27 CO 0.19 -0.66 0.01 0.83 0.00 0.00 0.00 176.54 176.91 1aoy h GLU 28 N 0.04 0.27 0.00 4.80 5.08 -1.99 -2.63 114.58 120.15 1aoy h GLU 28 Ca 0.85 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.12 1aoy h GLU 28 Cb 2.40 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.62 1aoy h GLU 28 CO -0.64 0.48 0.00 0.97 -1.00 0.00 0.00 179.01 178.82 1aoy h ILE 29 N 0.02 0.00 0.14 3.13 2.10 -0.97 -1.71 117.51 120.22 1aoy h ILE 29 Ca 0.05 -0.57 -0.01 0.00 1.08 0.00 0.00 64.86 65.41 1aoy h ILE 29 Cb 0.35 1.51 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 1aoy h ILE 29 CO 0.01 0.00 -0.07 0.58 -1.08 0.00 0.00 178.15 177.59 1aoy h VAL 30 N 0.00 1.00 -0.02 2.19 2.07 -1.11 -2.17 116.25 118.21 1aoy h VAL 30 Ca 0.00 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1aoy h VAL 30 Cb 0.62 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1aoy h VAL 30 CO 0.00 0.15 -0.29 0.00 0.02 0.00 0.00 177.57 177.45 1aoy h ALA 31 N 0.31 1.48 -0.01 1.67 0.00 -1.35 -2.22 119.26 119.15 1aoy h ALA 31 Ca -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1aoy h ALA 31 Cb 0.39 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1aoy h ALA 31 CO 0.03 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1aoy h ALA 32 N 1.67 0.01 0.00 0.00 0.00 -1.16 -1.87 119.26 117.91 1aoy h ALA 32 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1aoy h ALA 32 Cb 0.54 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1aoy h ALA 32 CO 0.04 -0.41 -0.27 -0.07 0.00 0.00 0.00 179.25 178.54 1aoy h LEU 33 N -0.15 0.00 -0.63 0.00 3.38 -1.29 -1.85 115.31 114.76 1aoy h LEU 33 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1aoy h LEU 33 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1aoy h LEU 33 CO -0.00 0.27 0.11 1.56 0.09 0.00 0.00 178.44 180.47 1aoy h GLN 34 N 0.00 1.05 0.00 1.13 4.20 -1.16 -2.06 115.11 118.27 1aoy h GLN 34 Ca -0.00 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.32 1aoy h GLN 34 Cb 0.80 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1aoy h GLN 34 CO 0.04 0.97 -0.51 0.93 -0.67 0.00 0.00 178.83 179.59 1aoy h GLU 35 N 0.96 0.00 0.69 1.46 4.39 -1.06 -3.31 114.58 117.71 1aoy h GLU 35 Ca 0.19 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 1aoy h GLU 35 Cb 0.42 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1aoy h GLU 35 CO 0.01 0.51 -0.33 1.96 -1.16 0.00 0.00 179.01 180.00 1aoy h GLN 36 N 0.00 -0.89 0.00 2.33 1.08 -0.88 -3.47 115.11 113.27 1aoy h GLN 36 Ca -0.01 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1aoy h GLN 36 Cb 1.09 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1aoy h GLN 36 CO 0.07 -0.57 0.00 0.41 -0.95 0.00 0.00 178.83 177.79 1aoy n GLY 37 N -0.78 0.00 2.79 3.46 0.00 -0.83 -5.10 105.19 104.73 1aoy n GLY 37 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 1.44 -1.42 1.61 0.08 -0.89 -5.01 117.98 113.80 1aoy s PHE 38 Ca 0.00 -1.15 0.24 0.00 0.12 0.00 0.00 56.93 56.14 1aoy s PHE 38 Cb 0.00 -1.21 0.37 0.00 -0.57 0.00 0.00 43.02 41.61 1aoy s PHE 38 CO 0.00 -0.67 1.32 -3.47 -0.10 0.00 0.00 175.22 172.30 1aoy n ASP 39 N 4.93 1.01 -2.21 1.36 2.03 -1.26 -3.85 116.55 118.56 1aoy n ASP 39 Ca -0.09 -0.80 -0.25 0.00 0.52 0.00 0.00 54.79 54.16 1aoy n ASP 39 Cb 0.46 0.38 0.15 0.00 -0.72 0.00 0.00 41.12 41.40 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 -0.98 4.60 -4.57 1.67 5.15 -1.26 -4.94 115.26 114.94 1aoy n ASN 40 Ca 0.08 -3.59 -0.34 0.00 -0.60 0.00 0.00 54.58 50.13 1aoy n ASN 40 Cb 0.36 -0.86 -0.11 0.00 -0.53 0.00 0.00 39.78 38.63 1aoy n ASN 40 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1aoy s ILE 41 N -3.51 3.77 0.35 -1.44 1.09 -1.26 -4.98 121.20 115.22 1aoy s ILE 41 Ca 0.57 -0.44 0.01 0.00 -1.10 0.00 0.00 60.65 59.68 1aoy s ILE 41 Cb 0.47 -2.57 -0.00 0.00 -1.06 0.00 0.00 42.46 39.30 1aoy s ILE 41 CO 0.08 0.58 0.44 0.54 -0.10 0.00 0.00 174.94 176.47 1aoy s ASN 42 N -0.54 1.23 0.31 3.58 2.20 -1.26 -4.99 114.94 115.47 1aoy s ASN 42 Ca 0.08 -1.60 0.02 0.00 -0.94 0.00 0.00 52.86 50.42 1aoy s ASN 42 Cb -0.12 0.65 0.57 0.00 -2.00 0.00 0.00 41.25 40.36 1aoy s ASN 42 CO 0.02 -1.27 1.93 -0.61 -2.94 0.00 0.00 177.10 174.23 1aoy h GLN 43 N 2.08 0.95 -0.58 3.55 -0.00 -1.96 -2.10 115.11 117.05 1aoy h GLN 43 Ca -0.27 -0.06 -0.06 0.00 -0.00 0.00 0.00 58.65 58.27 1aoy h GLN 43 Cb 1.24 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 28.48 1aoy h GLN 43 CO 0.38 0.63 0.14 0.77 0.00 0.00 0.00 178.83 180.74 1aoy h SER 44 N 0.97 0.87 -0.78 -0.69 0.02 -1.98 0.80 113.55 112.77 1aoy h SER 44 Ca 0.37 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1aoy h SER 44 Cb 0.19 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1aoy h SER 44 CO -0.13 0.88 0.33 0.50 -1.14 0.00 0.00 176.83 177.26 1aoy h LYS 45 N 0.83 1.17 -0.17 3.45 1.63 -1.79 0.17 116.57 121.87 1aoy h LYS 45 Ca 0.18 -0.20 -0.21 0.00 -0.85 0.00 0.00 60.65 59.57 1aoy h LYS 45 Cb 0.34 -0.19 0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1aoy h LYS 45 CO 0.00 0.94 -0.72 0.28 -3.45 0.00 0.00 179.45 176.50 1aoy h VAL 46 N 1.14 1.29 -0.27 2.00 2.07 -1.18 -1.91 116.25 119.39 1aoy h VAL 46 Ca 0.27 -1.95 -0.13 0.00 0.82 0.00 0.00 66.70 65.70 1aoy h VAL 46 Cb 0.20 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1aoy h VAL 46 CO -0.02 0.62 -0.39 -1.28 0.02 0.00 0.00 177.57 176.51 1aoy h SER 47 N 0.52 0.66 -0.11 0.57 0.87 -0.65 -1.10 113.55 114.31 1aoy h SER 47 Ca -0.04 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 1aoy h SER 47 Cb 1.34 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1aoy h SER 47 CO 0.15 0.98 -0.00 0.03 -0.53 0.00 0.00 176.83 177.45 1aoy h ARG 48 N 0.52 0.19 -0.27 2.24 3.08 -0.62 -1.74 114.38 117.77 1aoy h ARG 48 Ca 0.05 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1aoy h ARG 48 Cb 0.90 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1aoy h ARG 48 CO 0.08 0.45 -0.13 0.52 -1.07 0.00 0.00 179.97 179.81 1aoy h MET 49 N -0.08 0.46 -0.15 0.04 2.86 -1.33 0.15 114.93 116.89 1aoy h MET 49 Ca 0.03 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1aoy h MET 49 Cb 0.36 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1aoy h MET 49 CO 0.01 0.60 0.07 -0.07 1.06 0.00 0.00 176.91 178.57 1aoy h LEU 50 N 0.43 0.20 -0.30 1.22 3.38 -1.07 0.23 115.31 119.40 1aoy h LEU 50 Ca 0.08 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1aoy h LEU 50 Cb 0.49 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1aoy h LEU 50 CO 0.03 0.29 -0.43 0.74 0.09 0.00 0.00 178.44 179.16 1aoy h THR 51 N 0.10 1.29 0.44 0.22 2.02 -1.15 0.33 112.91 116.15 1aoy h THR 51 Ca 0.05 -1.62 -0.02 0.00 0.77 0.00 0.00 66.41 65.59 1aoy h THR 51 Cb 0.15 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1aoy h THR 51 CO -0.01 0.53 -0.21 0.50 0.37 0.00 0.00 175.52 176.70 1aoy h LYS 52 N 0.59 -0.57 -0.07 6.66 3.11 -0.64 -3.17 116.57 122.49 1aoy h LYS 52 Ca 0.03 0.04 -0.17 0.00 -2.81 0.00 0.00 60.65 57.74 1aoy h LYS 52 Cb 1.03 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.38 1aoy h LYS 52 CO 0.10 -0.34 -0.69 0.74 -2.81 0.00 0.00 179.45 176.45 1aoy h PHE 53 N -0.66 0.45 -2.32 1.91 0.04 -1.03 -3.48 116.94 111.86 1aoy h PHE 53 Ca -0.06 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1aoy h PHE 53 Cb 0.49 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1aoy h PHE 53 CO -0.03 0.93 0.00 0.41 -0.60 0.00 0.00 178.31 179.02 1aoy n GLY 54 N 0.48 0.80 3.77 -1.45 0.00 0.06 -4.42 105.19 104.44 1aoy n GLY 54 Ca -0.04 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.77 3.27 0.26 4.61 0.00 -0.94 -4.57 121.76 121.62 1aoy s ALA 55 Ca 0.00 0.52 0.08 0.00 0.00 0.00 0.00 51.96 52.56 1aoy s ALA 55 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1aoy s ALA 55 CO 0.00 0.20 0.13 0.14 0.00 0.00 0.00 175.76 176.23 1aoy s VAL 56 N -1.45 4.00 -0.08 0.00 -7.23 0.04 -4.92 120.40 110.76 1aoy s VAL 56 Ca 0.46 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1aoy s VAL 56 Cb -0.21 -3.18 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 1aoy s VAL 56 CO 0.26 -0.34 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.45 1aoy s ARG 57 N -3.79 2.87 0.18 4.82 0.52 -1.26 0.23 118.95 122.51 1aoy s ARG 57 Ca 0.33 -0.67 -0.08 0.00 -0.52 0.00 0.00 55.73 54.79 1aoy s ARG 57 Cb -0.07 -2.50 0.03 0.00 0.52 0.00 0.00 34.95 32.93 1aoy s ARG 57 CO 0.23 0.47 0.41 -2.37 0.02 0.00 0.00 175.30 174.07 1aoy n THR 58 N 2.76 0.00 -2.74 0.02 5.66 0.10 -4.95 114.28 115.13 1aoy n THR 58 Ca -0.18 -0.45 -0.41 0.00 -3.05 0.00 0.00 64.05 59.96 1aoy n THR 58 Cb 0.52 0.47 -0.05 0.00 -1.55 0.00 0.00 70.33 69.73 1aoy n THR 58 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1aoy s ARG 59 N -2.04 4.77 0.00 1.09 0.52 -1.26 -0.82 118.95 121.21 1aoy s ARG 59 Ca 0.08 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.76 1aoy s ARG 59 Cb -0.02 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.12 1aoy s ARG 59 CO 0.05 0.35 0.00 0.27 0.02 0.00 0.00 175.30 176.00 1aoy n ASN 60 N 2.20 0.00 0.26 0.23 6.94 -0.81 -4.86 115.26 119.21 1aoy n ASN 60 Ca 0.00 -0.04 0.13 0.00 -0.02 0.00 0.00 54.58 54.66 1aoy n ASN 60 Cb 0.48 0.00 0.80 0.00 -2.36 0.00 0.00 39.78 38.70 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 -1.13 1.78 -0.23 -2.53 0.00 -1.91 -2.36 119.26 112.87 1aoy h ALA 61 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1aoy h ALA 61 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.67 1aoy h ALA 61 CO 0.00 -0.07 -0.55 1.63 0.00 0.00 0.00 179.25 180.26 1aoy n LYS 62 N -4.11 2.16 -1.36 0.00 4.01 -1.26 -4.97 118.16 112.63 1aoy n LYS 62 Ca -0.02 -3.53 -0.12 0.00 -0.51 0.00 0.00 58.31 54.13 1aoy n LYS 62 Cb 0.14 -1.82 -0.05 0.00 -0.51 0.00 0.00 35.03 32.80 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 -1.01 -1.14 -2.72 1.97 2.81 -0.89 -4.98 117.12 111.16 1aoy n MET 63 Ca 0.27 0.90 -0.42 0.00 -1.81 0.00 0.00 57.70 56.65 1aoy n MET 63 Cb 0.79 -5.04 -0.04 0.00 -0.71 0.00 0.00 33.22 28.22 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 -2.93 4.60 -0.97 0.03 2.02 -1.26 -4.66 118.70 115.53 1aoy s GLU 64 Ca 0.00 1.42 -0.24 0.00 0.02 0.00 0.00 54.97 56.17 1aoy s GLU 64 Cb 0.00 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.80 1aoy s GLU 64 CO 0.00 0.04 1.71 -1.64 0.02 0.00 0.00 175.26 175.39 1aoy s MET 65 N 0.65 3.07 0.36 1.61 -1.94 -1.26 -1.92 119.30 119.87 1aoy s MET 65 Ca 0.50 -0.73 0.06 0.00 -1.71 0.00 0.00 55.69 53.81 1aoy s MET 65 Cb -0.22 -5.22 -0.07 0.00 2.01 0.00 0.00 34.83 31.34 1aoy s MET 65 CO 0.28 -2.81 -0.00 0.14 -0.01 0.00 0.00 175.02 172.62 1aoy s VAL 66 N 7.57 1.75 0.50 -6.03 -7.23 -0.00 -4.60 120.40 112.36 1aoy s VAL 66 Ca 0.58 -2.05 -0.20 0.00 -1.81 0.00 0.00 61.98 58.50 1aoy s VAL 66 Cb -0.03 -2.80 -0.08 0.00 0.56 0.00 0.00 36.38 34.03 1aoy s VAL 66 CO -0.05 -0.08 1.07 -0.31 -0.31 0.00 0.00 175.10 175.42 1aoy s TYR 67 N -2.91 2.91 0.13 2.82 2.02 0.16 -0.72 117.35 121.76 1aoy s TYR 67 Ca 0.34 1.57 -0.22 0.00 -0.37 0.00 0.00 57.07 58.39 1aoy s TYR 67 Cb 0.08 -3.14 0.06 0.00 -0.40 0.00 0.00 41.96 38.56 1aoy s TYR 67 CO 0.16 -1.04 0.56 0.00 -1.57 0.00 0.00 175.55 173.66 1aoy s LEU 69 N -2.59 4.29 0.62 0.00 2.96 -1.26 -0.78 118.68 121.92 1aoy s LEU 69 Ca 0.00 0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 54.14 1aoy s LEU 69 Cb -0.00 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 1aoy s LEU 69 CO -0.10 0.26 1.09 -2.16 -1.32 0.00 0.00 176.35 174.11 1aoy s PRO 70 N -0.19 3.07 -0.71 0.98 0.04 -1.26 -4.87 135.00 132.06 1aoy s PRO 70 Ca 0.12 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 1aoy s PRO 70 Cb -0.12 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.29 1aoy s PRO 70 CO 0.02 -1.03 2.52 0.00 0.04 0.00 0.00 177.00 178.55 1aoy n ALA 71 N -2.15 0.58 -3.22 8.56 0.00 -1.26 -3.14 120.51 119.88 1aoy n ALA 71 Ca 0.10 -0.54 -0.15 0.00 0.00 0.00 0.00 53.44 52.85 1aoy n ALA 71 Cb 0.52 -2.70 0.01 0.00 0.00 0.00 0.00 19.45 17.28 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 8.68 -1.83 -3.88 0.00 4.71 -1.26 -5.03 120.64 122.03 1aoy n GLU 72 Ca 0.51 1.55 -0.29 0.00 -0.01 0.00 0.00 57.16 58.92 1aoy n GLU 72 Cb 0.27 -4.34 -0.16 0.00 -1.01 0.00 0.00 31.44 26.20 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 -3.42 1.78 0.00 -4.62 2.96 -1.19 -4.96 118.68 109.23 1aoy s LEU 73 Ca 0.16 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.26 1aoy s LEU 73 Cb -0.03 -0.92 0.00 0.00 0.50 0.00 0.00 46.19 45.74 1aoy s LEU 73 CO 0.81 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 176.23 1aoy n GLY 74 N 4.85 -0.08 3.99 7.98 0.00 -1.26 -4.84 105.19 115.83 1aoy n GLY 74 Ca -0.11 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 4.35 0.50 1.61 -7.23 -1.26 -5.07 120.40 113.31 1aoy s VAL 75 Ca 0.00 -0.98 -0.23 0.00 -1.81 0.00 0.00 61.98 58.96 1aoy s VAL 75 Cb 0.00 -3.52 -0.06 0.00 0.56 0.00 0.00 36.38 33.36 1aoy s VAL 75 CO 0.00 -0.20 1.30 -2.84 -0.31 0.00 0.00 175.10 173.04 1aoy s PRO 76 N -4.14 3.42 0.00 4.82 0.02 -1.26 -5.02 135.00 132.84 1aoy s PRO 76 Ca 0.43 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1aoy s PRO 76 Cb -0.09 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 32.07 1aoy s PRO 76 CO 0.31 -0.92 0.00 -2.37 -0.33 0.00 0.00 177.00 173.68 1aoy n THR 77 N -0.74 0.00 -0.64 0.99 5.66 -1.26 -5.32 114.28 112.97 1aoy n THR 77 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1aoy n THR 77 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1aoy n THR 77 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37