#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2s n ALA 2 N 0.00 0.00 -3.69 4.31 0.00 -1.26 -4.71 120.51 115.17 1a2s n ALA 2 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1a2s n ALA 2 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1a2s n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a2s s ASP 3 N 0.00 1.71 0.36 0.00 -1.08 -1.26 -4.99 116.67 111.40 1a2s s ASP 3 Ca 0.00 -0.24 0.15 0.00 -0.52 0.00 0.00 52.55 51.94 1a2s s ASP 3 Cb 0.00 -0.70 1.04 0.00 -1.46 0.00 0.00 42.92 41.79 1a2s s ASP 3 CO 0.00 -0.06 1.73 -0.07 0.52 0.00 0.00 175.17 177.28 1a2s h LEU 4 N 7.59 0.54 -0.50 -1.34 -0.00 -1.98 -1.10 115.31 118.52 1a2s h LEU 4 Ca -0.31 0.13 0.10 0.00 -0.00 0.00 0.00 57.88 57.79 1a2s h LEU 4 Cb 1.15 0.05 -0.10 0.00 -0.00 0.00 0.00 40.66 41.76 1a2s h LEU 4 CO 0.43 0.04 -0.29 0.00 -0.00 0.00 0.00 178.44 178.61 1a2s h ALA 5 N 1.70 -0.01 0.15 1.53 0.00 -1.97 -0.70 119.26 119.95 1a2s h ALA 5 Ca 0.66 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.71 1a2s h ALA 5 Cb 1.50 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1a2s h ALA 5 CO -0.43 -0.65 -0.07 1.25 0.00 0.00 0.00 179.25 179.35 1a2s h LEU 6 N -0.17 -0.17 -0.73 0.00 5.85 -1.66 -3.25 115.31 115.18 1a2s h LEU 6 Ca 0.22 -0.36 0.17 0.00 0.84 0.00 0.00 57.88 58.74 1a2s h LEU 6 Cb 0.52 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 41.47 1a2s h LEU 6 CO -0.60 0.40 0.05 1.23 -0.34 0.00 0.00 178.44 179.19 1a2s h GLY 7 N -0.88 0.88 1.67 3.75 0.00 -0.93 0.17 103.07 107.73 1a2s h GLY 7 Ca -0.02 0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 1a2s h GLY 7 CO 0.03 -0.26 -0.55 0.07 0.00 0.00 0.00 176.54 175.84 1a2s h LYS 8 N 0.15 0.34 -0.70 4.80 5.09 -1.28 -1.90 116.57 123.07 1a2s h LYS 8 Ca 0.41 -0.22 0.05 0.00 0.09 0.00 0.00 60.65 60.98 1a2s h LYS 8 Cb 0.71 0.02 -0.05 0.00 0.10 0.00 0.00 32.23 33.01 1a2s h LYS 8 CO -0.61 0.80 0.41 0.00 -2.09 0.00 0.00 179.45 177.97 1a2s h ALA 9 N 1.15 0.93 0.45 0.07 0.00 -0.69 -0.43 119.26 120.75 1a2s h ALA 9 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1a2s h ALA 9 Cb 1.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1a2s h ALA 9 CO 0.09 0.13 -0.22 0.28 0.00 0.00 0.00 179.25 179.53 1a2s h VAL 10 N 0.77 0.55 -0.68 0.00 2.07 -1.32 -3.27 116.25 114.37 1a2s h VAL 10 Ca 0.30 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.76 1a2s h VAL 10 Cb 0.13 0.64 -0.13 0.00 -1.52 0.00 0.00 31.29 30.41 1a2s h VAL 10 CO -0.16 0.03 -0.25 0.15 0.02 0.00 0.00 177.57 177.36 1a2s h PHE 11 N -0.72 -0.64 -0.88 1.57 3.04 -0.40 0.18 116.94 119.09 1a2s h PHE 11 Ca -0.06 0.07 0.23 0.00 3.98 0.00 0.00 57.97 62.19 1a2s h PHE 11 Cb 0.52 0.38 -0.13 0.00 2.56 0.00 0.00 35.95 39.28 1a2s h PHE 11 CO -0.02 -0.35 0.29 0.22 -2.02 0.00 0.00 178.31 176.44 1a2s h ASP 12 N -0.07 0.12 0.26 0.41 1.82 -1.18 0.18 116.42 117.97 1a2s h ASP 12 Ca 0.30 0.18 -0.33 0.00 -0.39 0.00 0.00 57.03 56.79 1a2s h ASP 12 Cb 0.54 0.21 -0.05 0.00 0.68 0.00 0.00 39.33 40.71 1a2s h ASP 12 CO -0.73 -0.10 -2.01 0.61 -1.61 0.00 0.00 179.24 175.41 1a2s n GLY 13 N -1.36 -0.90 0.19 -0.78 0.00 -0.23 -4.40 105.19 97.71 1a2s n GLY 13 Ca 0.21 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1a2s n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a2s n ASN 14 N -3.02 1.85 -0.11 1.61 3.02 0.47 -4.72 115.26 114.36 1a2s n ASN 14 Ca -0.26 0.32 -0.17 0.00 -0.03 0.00 0.00 54.58 54.44 1a2s n ASN 14 Cb 1.08 -0.77 -0.13 0.00 -0.61 0.00 0.00 39.78 39.35 1a2s n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a2s h ALA 16 N 0.13 1.87 -1.14 0.00 0.00 -1.12 0.19 119.26 119.18 1a2s h ALA 16 Ca -0.55 -0.01 0.32 0.00 0.00 0.00 0.00 54.91 54.66 1a2s h ALA 16 Cb 1.96 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 1a2s h ALA 16 CO -0.05 0.01 0.78 0.00 0.00 0.00 0.00 179.25 179.99 1a2s h ALA 17 N 1.67 2.71 0.00 0.00 0.00 -1.81 0.17 119.26 122.00 1a2s h ALA 17 Ca 0.28 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1a2s h ALA 17 Cb 0.39 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1a2s h ALA 17 CO -0.09 -1.10 -1.23 0.00 0.00 0.00 0.00 179.25 176.82 1a2s n HIS 19 N -4.29 1.60 -1.65 0.00 8.25 0.49 -2.43 115.22 117.19 1a2s n HIS 19 Ca -0.21 -0.55 -0.64 0.00 -0.26 0.00 0.00 57.72 56.06 1a2s n HIS 19 Cb 0.55 -0.42 -0.09 0.00 1.12 0.00 0.00 29.99 31.15 1a2s n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a2s n ALA 20 N 0.48 -1.79 -2.51 -1.41 0.00 0.56 -0.44 120.51 115.41 1a2s n ALA 20 Ca 0.21 0.50 -0.19 0.00 0.00 0.00 0.00 53.44 53.97 1a2s n ALA 20 Cb 0.98 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1a2s n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a2s n GLY 21 N 3.37 -0.39 2.25 0.00 0.00 -1.26 -2.51 105.19 106.65 1a2s n GLY 21 Ca 0.28 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1a2s n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2s n GLY 22 N -1.13 0.02 0.00 -0.02 0.00 0.41 -4.93 105.19 99.53 1a2s n GLY 22 Ca -0.19 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1a2s n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2s n GLY 23 N -1.09 4.85 3.83 -0.02 0.00 -0.23 -4.04 105.19 108.47 1a2s n GLY 23 Ca -0.14 -1.80 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 1a2s n GLY 23 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a2s s ASN 24 N 0.87 -0.11 0.06 1.61 3.84 -1.02 -4.26 114.94 115.93 1a2s s ASN 24 Ca 0.00 -0.80 0.00 0.00 0.21 0.00 0.00 52.86 52.27 1a2s s ASN 24 Cb 0.00 0.72 0.00 0.00 -0.55 0.00 0.00 41.25 41.42 1a2s s ASN 24 CO 0.00 -1.38 0.00 -3.20 -2.79 0.00 0.00 177.10 169.73 1a2s n ASN 25 N -0.92 0.65 0.02 -4.21 2.85 -1.12 -4.75 115.26 107.78 1a2s n ASN 25 Ca -0.06 0.08 -0.13 0.00 -0.11 0.00 0.00 54.58 54.37 1a2s n ASN 25 Cb 0.60 -0.20 -0.09 0.00 1.24 0.00 0.00 39.78 41.33 1a2s n ASN 25 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1a2s h VAL 26 N 0.00 1.20 -3.48 3.44 2.07 -1.94 -3.38 116.25 114.15 1a2s h VAL 26 Ca 0.00 -0.84 -0.66 0.00 0.82 0.00 0.00 66.70 66.02 1a2s h VAL 26 Cb 0.42 1.75 -0.40 0.00 -1.52 0.00 0.00 31.29 31.54 1a2s h VAL 26 CO 0.00 0.21 -0.60 -0.63 0.02 0.00 0.00 177.57 176.57 1a2s s ILE 27 N -4.67 2.73 -1.37 4.57 -1.09 -1.26 -5.02 121.20 115.09 1a2s s ILE 27 Ca -0.15 -2.98 -0.09 0.00 -2.23 0.00 0.00 60.65 55.19 1a2s s ILE 27 Cb 0.03 -2.90 -0.07 0.00 -1.58 0.00 0.00 42.46 37.94 1a2s s ILE 27 CO 0.65 -0.76 2.62 -0.81 -1.23 0.00 0.00 174.94 175.41 1a2s n PRO 28 N 3.50 3.09 0.00 2.79 -0.04 -1.26 -2.74 135.00 140.33 1a2s n PRO 28 Ca 0.05 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 1a2s n PRO 28 Cb 0.36 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1a2s n PRO 28 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1a2s n ASP 29 N 4.07 0.00 -4.56 3.54 -0.08 -1.26 -5.02 116.55 113.24 1a2s n ASP 29 Ca 0.66 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.65 1a2s n ASP 29 Cb 0.22 0.29 -0.05 0.00 2.34 0.00 0.00 41.12 43.92 1a2s n ASP 29 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1a2s s HIS 30 N -1.60 1.55 0.00 -0.67 3.76 -1.11 -4.89 115.29 112.34 1a2s s HIS 30 Ca 0.00 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.95 1a2s s HIS 30 Cb 0.00 -3.89 0.00 0.00 1.11 0.00 0.00 32.58 29.80 1a2s s HIS 30 CO 0.00 -1.97 0.00 0.25 -0.85 0.00 0.00 174.74 172.17 1a2s n THR 31 N 7.86 0.00 -2.77 1.30 -2.24 -1.26 -4.37 114.28 112.80 1a2s n THR 31 Ca 0.35 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1a2s n THR 31 Cb 0.49 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.78 1a2s n THR 31 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1a2s n LEU 32 N 0.00 0.79 -4.87 3.22 4.77 -1.26 -4.75 117.00 114.90 1a2s n LEU 32 Ca 0.00 -3.00 -0.21 0.00 -0.03 0.00 0.00 56.01 52.77 1a2s n LEU 32 Cb 0.00 0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1a2s n LEU 32 CO 0.00 1.17 -0.06 0.00 -1.33 0.00 0.00 177.39 177.18 1a2s s GLN 33 N -2.64 2.71 0.30 3.23 -2.07 -1.26 -4.13 119.66 115.81 1a2s s GLN 33 Ca 0.23 -1.32 -0.01 0.00 -1.82 0.00 0.00 55.36 52.44 1a2s s GLN 33 Cb 0.35 -2.48 0.49 0.00 -1.09 0.00 0.00 33.01 30.27 1a2s s GLN 33 CO -0.07 0.04 1.94 1.57 -1.32 0.00 0.00 175.29 177.45 1a2s h LYS 34 N 1.18 1.04 -0.32 9.60 2.10 -1.96 0.40 116.57 128.61 1a2s h LYS 34 Ca -0.44 -0.06 0.09 0.00 -2.00 0.00 0.00 60.65 58.24 1a2s h LYS 34 Cb 1.26 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 32.34 1a2s h LYS 34 CO 0.58 0.69 0.26 0.00 -2.00 0.00 0.00 179.45 178.97 1a2s h ALA 35 N 1.50 2.17 0.00 0.07 0.00 -1.96 0.14 119.26 121.18 1a2s h ALA 35 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1a2s h ALA 35 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1a2s h ALA 35 CO -0.10 -0.42 -0.13 0.00 0.00 0.00 0.00 179.25 178.60 1a2s h ALA 36 N 1.78 0.00 -0.38 0.00 0.00 -1.31 -3.40 119.26 115.95 1a2s h ALA 36 Ca 0.15 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1a2s h ALA 36 Cb 0.66 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1a2s h ALA 36 CO -0.00 0.13 -0.20 0.82 0.00 0.00 0.00 179.25 180.00 1a2s h ILE 37 N -0.60 0.43 -1.00 0.00 2.04 -0.87 0.21 117.51 117.71 1a2s h ILE 37 Ca 0.00 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.24 1a2s h ILE 37 Cb 0.13 0.43 -0.17 0.00 -0.74 0.00 0.00 36.82 36.47 1a2s h ILE 37 CO 0.00 0.00 0.54 -0.33 0.00 0.00 0.00 178.15 178.36 1a2s h GLU 38 N -0.13 0.13 0.00 2.37 5.08 -0.96 -0.18 114.58 120.89 1a2s h GLU 38 Ca 0.19 -0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.19 1a2s h GLU 38 Cb 0.42 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1a2s h GLU 38 CO -0.46 0.08 -2.20 0.00 -1.00 0.00 0.00 179.01 175.43 1a2s n GLN 39 N -5.18 0.47 0.17 2.33 10.64 -0.60 -4.38 117.38 120.83 1a2s n GLN 39 Ca 0.35 0.18 0.08 0.00 -1.83 0.00 0.00 57.00 55.78 1a2s n GLN 39 Cb 1.15 -1.31 0.09 0.00 -0.86 0.00 0.00 30.24 29.31 1a2s n GLN 39 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 1a2s h PHE 40 N -0.55 0.00 -3.18 2.61 0.04 -0.49 -3.40 116.94 111.97 1a2s h PHE 40 Ca -0.52 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 59.65 1a2s h PHE 40 Cb 1.55 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.59 1a2s h PHE 40 CO -0.04 0.19 0.67 -1.17 -0.60 0.00 0.00 178.31 177.36 1a2s s LEU 41 N -6.15 3.94 -0.20 1.54 1.98 -0.09 -4.99 118.68 114.71 1a2s s LEU 41 Ca 0.04 -0.25 -0.30 0.00 -2.89 0.00 0.00 54.13 50.73 1a2s s LEU 41 Cb 0.07 -2.90 -0.07 0.00 0.66 0.00 0.00 46.19 43.94 1a2s s LEU 41 CO 0.72 -1.30 2.16 -0.67 -1.89 0.00 0.00 176.35 175.38 1a2s n ASP 42 N 7.72 3.19 0.00 3.68 -0.08 -1.26 -0.43 116.55 129.37 1a2s n ASP 42 Ca 0.03 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1a2s n ASP 42 Cb 0.48 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.45 1a2s n ASP 42 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1a2s n GLY 43 N 5.65 1.14 0.01 0.27 0.00 -1.26 -5.00 105.19 106.01 1a2s n GLY 43 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1a2s n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2s n GLY 44 N 0.00 -1.54 3.57 -0.02 0.00 0.43 -4.74 105.19 102.89 1a2s n GLY 44 Ca 0.00 -1.52 -0.19 0.00 0.00 0.00 0.00 46.02 44.31 1a2s n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a2s s PHE 45 N -1.40 1.42 0.00 1.61 2.19 -1.26 -4.79 117.98 115.76 1a2s s PHE 45 Ca 0.00 1.61 -0.05 0.00 0.33 0.00 0.00 56.93 58.82 1a2s s PHE 45 Cb 0.00 -3.59 -0.00 0.00 -1.31 0.00 0.00 43.02 38.11 1a2s s PHE 45 CO 0.00 -1.19 0.09 -0.80 1.83 0.00 0.00 175.22 175.15 1a2s s ASN 46 N 8.74 0.07 0.08 6.13 0.01 -1.26 -5.03 114.94 123.68 1a2s s ASN 46 Ca 0.80 -0.26 -0.19 0.00 -0.71 0.00 0.00 52.86 52.51 1a2s s ASN 46 Cb -0.07 0.18 -0.09 0.00 0.41 0.00 0.00 41.25 41.68 1a2s s ASN 46 CO 0.11 -0.33 1.53 -0.29 -1.51 0.00 0.00 177.10 176.61 1a2s h ILE 47 N 4.42 1.25 -0.98 0.60 6.09 -1.99 -2.11 117.51 124.79 1a2s h ILE 47 Ca -0.31 -0.84 0.05 0.00 -1.37 0.00 0.00 64.86 62.39 1a2s h ILE 47 Cb 1.20 1.35 -0.06 0.00 0.47 0.00 0.00 36.82 39.78 1a2s h ILE 47 CO 0.41 0.26 0.64 -0.33 -3.07 0.00 0.00 178.15 176.06 1a2s h GLU 48 N 0.18 1.15 0.02 2.19 3.07 -1.96 0.18 114.58 119.40 1a2s h GLU 48 Ca 0.07 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1a2s h GLU 48 Cb 0.38 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1a2s h GLU 48 CO 0.01 0.76 -0.01 0.00 -1.40 0.00 0.00 179.01 178.37 1a2s h ALA 49 N 1.45 -0.02 -0.30 3.43 0.00 -1.84 0.77 119.26 122.76 1a2s h ALA 49 Ca 0.40 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1a2s h ALA 49 Cb 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1a2s h ALA 49 CO -0.14 -0.43 0.13 0.97 0.00 0.00 0.00 179.25 179.79 1a2s h ILE 50 N -0.19 0.97 0.14 0.00 2.10 -0.60 0.14 117.51 120.07 1a2s h ILE 50 Ca -0.00 -0.10 0.02 0.00 1.08 0.00 0.00 64.86 65.86 1a2s h ILE 50 Cb 0.18 0.66 -0.05 0.00 -1.09 0.00 0.00 36.82 36.52 1a2s h ILE 50 CO 0.00 0.05 -0.45 0.58 -1.08 0.00 0.00 178.15 177.25 1a2s h VAL 51 N 0.29 0.11 0.00 2.19 2.07 -0.63 0.19 116.25 120.47 1a2s h VAL 51 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1a2s h VAL 51 Cb 0.06 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1a2s h VAL 51 CO -0.10 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.49 1a2s n TYR 52 N -5.48 0.00 0.01 1.57 9.36 0.26 -2.89 117.16 119.99 1a2s n TYR 52 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1a2s n TYR 52 Cb 0.39 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 1a2s n TYR 52 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1a2s n GLN 53 N -0.31 0.00 -0.27 2.98 0.00 0.42 -4.40 117.38 115.80 1a2s n GLN 53 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.00 57.08 1a2s n GLN 53 Cb 0.07 -0.40 0.22 0.00 0.00 0.00 0.00 30.24 30.12 1a2s n GLN 53 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1a2s h ILE 54 N 0.00 0.38 -0.26 1.69 6.09 -0.61 0.36 117.51 125.16 1a2s h ILE 54 Ca 0.00 -0.07 -0.11 0.00 -1.37 0.00 0.00 64.86 63.31 1a2s h ILE 54 Cb 0.74 0.17 -0.01 0.00 0.47 0.00 0.00 36.82 38.18 1a2s h ILE 54 CO 0.00 0.04 -0.32 1.05 -3.07 0.00 0.00 178.15 175.85 1a2s h GLU 55 N 0.19 0.54 0.18 2.19 4.11 -1.75 -1.55 114.58 118.50 1a2s h GLU 55 Ca 0.47 -0.24 -0.33 0.00 0.07 0.00 0.00 59.36 59.33 1a2s h GLU 55 Cb 0.88 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.12 1a2s h GLU 55 CO -0.62 0.79 -1.60 -0.91 0.07 0.00 0.00 179.01 176.74 1a2s h ASN 56 N 0.46 0.60 -2.20 3.06 2.35 -0.69 -2.90 115.58 116.27 1a2s h ASN 56 Ca 0.06 -0.79 0.00 0.00 -0.55 0.00 0.00 56.30 55.02 1a2s h ASN 56 Cb 0.78 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1a2s h ASN 56 CO 0.06 1.65 0.00 0.61 -1.65 0.00 0.00 177.43 178.10 1a2s n GLY 57 N 1.75 -1.22 3.64 2.83 0.00 0.88 -4.61 105.19 108.47 1a2s n GLY 57 Ca -0.20 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1a2s n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a2s s LYS 58 N -0.50 4.18 5.62 1.61 2.36 -1.26 -4.78 119.74 126.97 1a2s s LYS 58 Ca 0.00 1.03 0.00 0.00 -2.55 0.00 0.00 55.97 54.45 1a2s s LYS 58 Cb 0.00 -3.66 0.00 0.00 -1.05 0.00 0.00 37.83 33.12 1a2s s LYS 58 CO 0.00 -0.58 0.00 0.41 1.55 0.00 0.00 175.35 176.73 1a2s n GLY 59 N 3.69 1.87 2.06 5.54 0.00 -1.26 -3.62 105.19 113.47 1a2s n GLY 59 Ca 0.07 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 1a2s n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2s n ALA 60 N 9.23 6.30 -3.72 4.61 0.00 -1.26 -4.78 120.51 130.88 1a2s n ALA 60 Ca 0.00 -1.97 -0.17 0.00 0.00 0.00 0.00 53.44 51.30 1a2s n ALA 60 Cb 0.00 -2.45 -0.16 0.00 0.00 0.00 0.00 19.45 16.83 1a2s n ALA 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1a2s s MET 61 N 1.25 0.21 0.38 0.00 0.00 -1.24 -5.00 119.30 114.90 1a2s s MET 61 Ca 0.64 0.12 -0.28 0.00 0.00 0.00 0.00 55.69 56.17 1a2s s MET 61 Cb 0.29 -0.44 -0.11 0.00 0.00 0.00 0.00 34.83 34.57 1a2s s MET 61 CO -0.01 -0.16 1.50 -0.35 0.00 0.00 0.00 175.02 176.00 1a2s n PRO 62 N 4.23 2.70 -2.63 4.11 -0.04 -1.26 -4.27 135.00 137.84 1a2s n PRO 62 Ca -0.25 0.95 -0.41 0.00 -0.04 0.00 0.00 63.50 63.75 1a2s n PRO 62 Cb 0.50 -2.69 -0.05 0.00 -0.04 0.00 0.00 33.50 31.23 1a2s n PRO 62 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a2s s ALA 63 N -1.12 3.33 -1.17 0.55 0.00 -1.26 -4.57 121.76 117.51 1a2s s ALA 63 Ca 0.53 0.71 0.12 0.00 0.00 0.00 0.00 51.96 53.32 1a2s s ALA 63 Cb -0.47 -3.29 0.27 0.00 0.00 0.00 0.00 23.12 19.63 1a2s s ALA 63 CO 0.64 -0.05 1.18 0.91 0.00 0.00 0.00 175.76 178.43 1a2s n TRP 64 N 2.17 0.37 0.12 0.00 7.02 -0.58 -4.69 117.44 121.85 1a2s n TRP 64 Ca 0.01 -0.36 0.20 0.00 -1.02 0.00 0.00 57.50 56.32 1a2s n TRP 64 Cb 0.47 -0.02 0.76 0.00 -2.42 0.00 0.00 31.31 30.10 1a2s n TRP 64 CO 0.00 0.00 0.00 0.38 -2.02 0.00 0.00 177.69 176.05 1a2s h ASP 65 N 2.29 0.00 0.00 -0.99 2.03 -1.72 -0.59 116.42 117.45 1a2s h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1a2s h ASP 65 Cb 0.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 1a2s h ASP 65 CO 0.00 0.00 -0.04 0.61 -1.03 0.00 0.00 179.24 178.78 1a2s n GLY 66 N -1.46 4.26 0.00 7.15 0.00 -1.26 -4.71 105.19 109.18 1a2s n GLY 66 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1a2s n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2s n ARG 67 N -1.22 3.54 0.00 1.61 5.12 -0.25 -4.96 116.66 120.51 1a2s n ARG 67 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1a2s n ARG 67 Cb 0.61 -0.57 0.00 0.00 -1.16 0.00 0.00 32.46 31.34 1a2s n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1a2s n LEU 68 N -0.86 0.02 -0.87 0.55 -0.00 -1.10 -5.07 117.00 109.67 1a2s n LEU 68 Ca 0.00 -0.03 0.07 0.00 -0.00 0.00 0.00 56.01 56.05 1a2s n LEU 68 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 1a2s n LEU 68 CO 0.00 0.01 -0.21 -0.67 -0.00 0.00 0.00 177.39 176.51 1a2s n ASP 69 N -0.02 -3.25 0.31 1.96 -0.08 -1.26 -0.22 116.55 113.99 1a2s n ASP 69 Ca 0.00 0.48 0.19 0.00 -1.51 0.00 0.00 54.79 53.95 1a2s n ASP 69 Cb 0.14 -2.81 1.03 0.00 2.34 0.00 0.00 41.12 41.83 1a2s n ASP 69 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1a2s h GLU 70 N -1.17 0.00 0.00 -0.67 5.08 -1.99 -1.15 114.58 114.68 1a2s h GLU 70 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1a2s h GLU 70 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1a2s h GLU 70 CO 0.02 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.78 1a2s n ASP 71 N -2.89 0.00 0.20 1.42 8.00 -1.26 -3.88 116.55 118.14 1a2s n ASP 71 Ca -0.03 0.38 0.05 0.00 0.71 0.00 0.00 54.79 55.91 1a2s n ASP 71 Cb 0.13 -0.36 0.41 0.00 -0.02 0.00 0.00 41.12 41.28 1a2s n ASP 71 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1a2s h GLU 72 N 0.00 0.00 -0.81 -1.24 5.08 -1.31 0.16 114.58 116.46 1a2s h GLU 72 Ca 0.00 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.56 1a2s h GLU 72 Cb 0.00 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.12 1a2s h GLU 72 CO 0.00 0.34 0.15 0.82 -1.00 0.00 0.00 179.01 179.32 1a2s h ILE 73 N 0.00 0.36 0.12 3.13 1.08 0.72 0.90 117.51 123.82 1a2s h ILE 73 Ca -0.00 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 1a2s h ILE 73 Cb 0.68 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1a2s h ILE 73 CO 0.04 0.03 -0.06 0.00 -0.69 0.00 0.00 178.15 177.48 1a2s h ALA 74 N 1.73 -0.16 -0.25 1.87 0.00 -0.92 -3.28 119.26 118.26 1a2s h ALA 74 Ca 0.48 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1a2s h ALA 74 Cb 0.91 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1a2s h ALA 74 CO -0.63 -0.26 -0.23 0.78 0.00 0.00 0.00 179.25 178.91 1a2s h GLY 75 N -0.81 -1.72 1.76 0.00 0.00 -0.00 0.47 103.07 102.76 1a2s h GLY 75 Ca -0.02 0.88 -0.14 0.00 0.00 0.00 0.00 47.33 48.05 1a2s h GLY 75 CO 0.03 -0.54 -0.59 -0.24 0.00 0.00 0.00 176.54 175.20 1a2s h VAL 76 N -0.10 1.38 0.24 4.60 3.04 -1.04 -1.04 116.25 123.32 1a2s h VAL 76 Ca 0.04 -1.94 -0.01 0.00 -1.01 0.00 0.00 66.70 63.77 1a2s h VAL 76 Cb 0.21 1.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1a2s h VAL 76 CO -0.29 0.58 -0.11 0.00 -1.01 0.00 0.00 177.57 176.74 1a2s h ALA 77 N 1.20 -0.32 -0.27 3.17 0.00 -1.57 -0.91 119.26 120.55 1a2s h ALA 77 Ca -0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1a2s h ALA 77 Cb 1.09 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1a2s h ALA 77 CO 0.09 -0.67 0.07 0.00 0.00 0.00 0.00 179.25 178.75 1a2s h ALA 78 N 0.41 0.29 -0.04 0.00 0.00 -0.58 0.52 119.26 119.86 1a2s h ALA 78 Ca -0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1a2s h ALA 78 Cb 0.27 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1a2s h ALA 78 CO 0.05 -0.34 -0.30 -0.92 0.00 0.00 0.00 179.25 177.74 1a2s h TYR 79 N 0.18 -0.89 -0.79 0.00 3.20 -1.03 0.06 116.97 117.70 1a2s h TYR 79 Ca 0.12 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.03 1a2s h TYR 79 Cb 0.11 0.39 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1a2s h TYR 79 CO -0.15 -0.31 0.52 -0.39 -1.64 0.00 0.00 178.16 176.19 1a2s h VAL 80 N -0.35 1.20 -0.51 1.81 -1.51 -0.88 -1.55 116.25 114.46 1a2s h VAL 80 Ca 0.01 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1a2s h VAL 80 Cb 0.39 0.04 -0.03 0.00 -2.13 0.00 0.00 31.29 29.56 1a2s h VAL 80 CO -0.22 0.19 0.33 0.22 -1.23 0.00 0.00 177.57 176.86 1a2s h TYR 81 N 1.07 0.65 0.37 5.19 5.03 -0.62 0.63 116.97 129.29 1a2s h TYR 81 Ca 0.29 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 1a2s h TYR 81 Cb -0.12 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 37.93 1a2s h TYR 81 CO -0.00 0.42 -0.29 0.22 -1.32 0.00 0.00 178.16 177.19 1a2s h ASP 82 N 0.69 -0.76 -0.32 -2.11 1.82 -0.04 -0.03 116.42 115.68 1a2s h ASP 82 Ca 0.19 0.06 0.07 0.00 -0.39 0.00 0.00 57.03 56.96 1a2s h ASP 82 Cb -0.07 0.24 -0.08 0.00 0.68 0.00 0.00 39.33 40.11 1a2s h ASP 82 CO -0.04 -0.43 -0.30 1.56 -1.61 0.00 0.00 179.24 178.41 1a2s h GLN 83 N -0.66 -0.26 -0.03 0.28 1.08 -1.09 0.12 115.11 114.54 1a2s h GLN 83 Ca -0.03 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1a2s h GLN 83 Cb 0.58 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 1a2s h GLN 83 CO -0.01 -0.18 -0.24 0.00 -0.95 0.00 0.00 178.83 177.45 1a2s h ALA 84 N 0.72 -0.67 0.11 3.87 0.00 -0.73 0.42 119.26 122.98 1a2s h ALA 84 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1a2s h ALA 84 Cb 0.52 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1a2s h ALA 84 CO -0.47 -0.75 -0.44 0.00 0.00 0.00 0.00 179.25 177.59 1a2s h ALA 85 N -0.97 -0.79 -0.84 0.00 0.00 -0.59 -2.96 119.26 113.12 1a2s h ALA 85 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1a2s h ALA 85 Cb 0.31 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1a2s h ALA 85 CO -0.18 -1.01 0.55 0.78 0.00 0.00 0.00 179.25 179.39 1a2s h GLY 86 N -0.67 1.20 0.00 0.00 0.00 -0.68 -3.46 103.07 99.46 1a2s h GLY 86 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1a2s h GLY 86 CO -0.26 0.36 0.00 0.70 0.00 0.00 0.00 176.54 177.33 1a2s n ASN 87 N -4.45 -2.55 0.00 0.19 3.02 0.08 -4.97 115.26 106.58 1a2s n ASN 87 Ca 0.11 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.74 1a2s n ASN 87 Cb 0.11 -0.43 0.47 0.00 -0.61 0.00 0.00 39.78 39.33 1a2s n ASN 87 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a2s n LYS 88 N -2.85 0.79 0.00 3.52 5.02 -0.85 -5.03 118.16 118.76 1a2s n LYS 88 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1a2s n LYS 88 Cb 0.00 -1.31 0.26 0.00 -0.02 0.00 0.00 35.03 33.96 1a2s n LYS 88 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79