#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifw n PRO 2 N 0.00 0.59 -2.34 1.61 -0.02 -1.26 -4.84 135.00 128.74 1ifw n PRO 2 Ca 0.00 -0.40 -0.35 0.00 -2.02 0.00 0.00 63.50 60.73 1ifw n PRO 2 Cb 0.00 -3.09 -0.04 0.00 -0.02 0.00 0.00 33.50 30.35 1ifw n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ifw s LEU 3 N 11.67 3.39 -0.97 2.45 1.43 -1.26 -4.84 118.68 130.56 1ifw s LEU 3 Ca 1.03 -1.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1ifw s LEU 3 Cb -0.33 -2.57 0.30 0.00 0.03 0.00 0.00 46.19 43.61 1ifw s LEU 3 CO 0.24 -2.05 2.00 0.61 0.23 0.00 0.00 176.35 177.37 1ifw n GLY 4 N 6.47 5.77 3.58 -3.19 0.00 -1.26 -4.97 105.19 111.59 1ifw n GLY 4 Ca 0.40 -2.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1ifw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ifw s SER 5 N -1.01 6.53 0.40 1.61 0.15 -1.26 -5.03 113.70 115.10 1ifw s SER 5 Ca 0.46 0.30 -0.26 0.00 0.70 0.00 0.00 55.95 57.15 1ifw s SER 5 Cb 0.28 -2.39 -0.10 0.00 -1.71 0.00 0.00 66.02 62.10 1ifw s SER 5 CO -0.22 -0.72 1.22 -2.65 1.20 0.00 0.00 173.24 172.07 1ifw n PRO 6 N 6.38 1.85 -3.60 5.44 -0.02 -1.26 -4.99 135.00 138.81 1ifw n PRO 6 Ca 0.02 0.66 -0.38 0.00 -2.02 0.00 0.00 63.50 61.78 1ifw n PRO 6 Cb 0.48 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 1ifw n PRO 6 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ifw s ARG 7 N -2.11 3.83 -0.51 -0.52 0.52 -1.26 -5.06 118.95 113.85 1ifw s ARG 7 Ca 0.60 0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 55.95 1ifw s ARG 7 Cb -0.53 -3.24 0.13 0.00 0.52 0.00 0.00 34.95 31.83 1ifw s ARG 7 CO 0.58 0.66 0.40 1.21 0.02 0.00 0.00 175.30 178.17 1ifw s ASN 8 N -0.87 5.84 -0.45 0.23 3.84 -1.26 -5.03 114.94 117.24 1ifw s ASN 8 Ca 0.21 -1.96 -0.27 0.00 0.21 0.00 0.00 52.86 51.05 1ifw s ASN 8 Cb -0.15 -2.06 -0.04 0.00 -0.55 0.00 0.00 41.25 38.45 1ifw s ASN 8 CO 0.10 -0.71 2.07 0.00 -2.79 0.00 0.00 177.10 175.77 1ifw s ALA 9 N 1.31 2.24 -1.06 1.71 0.00 -1.26 -4.81 121.76 119.89 1ifw s ALA 9 Ca 0.06 -0.01 0.12 0.00 0.00 0.00 0.00 51.96 52.12 1ifw s ALA 9 Cb -0.26 -4.22 0.51 0.00 0.00 0.00 0.00 23.12 19.15 1ifw s ALA 9 CO -0.00 -3.62 1.35 0.27 0.00 0.00 0.00 175.76 173.75 1ifw n ASN 10 N 13.03 3.61 -4.92 0.00 0.23 -1.26 -4.93 115.26 121.01 1ifw n ASN 10 Ca 0.28 -2.39 -0.26 0.00 -0.53 0.00 0.00 54.58 51.68 1ifw n ASN 10 Cb 0.51 -0.52 0.03 0.00 -2.08 0.00 0.00 39.78 37.72 1ifw n ASN 10 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1ifw s ASP 11 N -0.70 5.66 -1.09 0.53 1.11 -1.26 -5.02 116.67 115.90 1ifw s ASP 11 Ca 0.35 0.64 -0.09 0.00 0.18 0.00 0.00 52.55 53.63 1ifw s ASP 11 Cb 0.24 -1.69 0.27 0.00 1.07 0.00 0.00 42.92 42.81 1ifw s ASP 11 CO 0.15 -0.98 1.08 0.20 1.18 0.00 0.00 175.17 176.81 1ifw s ASN 12 N -4.28 7.27 -0.56 0.27 -0.87 -1.26 -4.91 114.94 110.61 1ifw s ASN 12 Ca 0.53 -3.54 0.04 0.00 -1.57 0.00 0.00 52.86 48.32 1ifw s ASN 12 Cb -0.10 -2.21 0.17 0.00 -0.02 0.00 0.00 41.25 39.09 1ifw s ASN 12 CO 0.44 -0.31 0.41 0.21 -2.57 0.00 0.00 177.10 175.29 1ifw s ASN 13 N 1.36 3.12 -1.20 -1.22 3.04 -1.26 -5.03 114.94 113.75 1ifw s ASN 13 Ca 0.30 -3.45 -0.13 0.00 0.04 0.00 0.00 52.86 49.62 1ifw s ASN 13 Cb -0.10 -1.03 0.19 0.00 -1.54 0.00 0.00 41.25 38.77 1ifw s ASN 13 CO -0.08 -0.13 1.40 0.00 -3.04 0.00 0.00 177.10 175.25 1ifw n GLN 14 N 2.43 3.41 0.00 0.43 1.13 -1.26 -4.77 117.38 118.74 1ifw n GLN 14 Ca 0.25 -3.93 0.13 0.00 -1.94 0.00 0.00 57.00 51.50 1ifw n GLN 14 Cb 0.41 -2.97 0.68 0.00 0.11 0.00 0.00 30.24 28.48 1ifw n GLN 14 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1ifw n PHE 15 N 5.15 0.00 0.03 1.08 -1.74 -1.26 -3.88 117.46 116.83 1ifw n PHE 15 Ca 0.35 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 57.22 1ifw n PHE 15 Cb 0.42 -0.20 -0.01 0.00 1.52 0.00 0.00 39.48 41.21 1ifw n PHE 15 CO 0.00 0.00 0.00 -0.92 -0.56 0.00 0.00 176.76 175.28 1ifw h TYR 16 N 0.00 -0.10 -1.00 2.97 5.03 -2.06 -3.35 116.97 118.46 1ifw h TYR 16 Ca 0.00 -0.00 -0.52 0.00 2.58 0.00 0.00 58.73 60.79 1ifw h TYR 16 Cb 0.17 0.03 -0.16 0.00 1.55 0.00 0.00 36.73 38.32 1ifw h TYR 16 CO 0.00 -0.06 0.72 1.04 -1.32 0.00 0.00 178.16 178.54 1ifw n GLN 17 N -2.89 2.77 0.27 1.82 1.13 -1.25 -4.56 117.38 114.66 1ifw n GLN 17 Ca -0.01 -2.45 0.17 0.00 -1.94 0.00 0.00 57.00 52.77 1ifw n GLN 17 Cb 0.04 -2.22 0.71 0.00 0.11 0.00 0.00 30.24 28.87 1ifw n GLN 17 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1ifw h GLN 18 N 3.29 0.00 -0.13 -1.09 4.20 -1.71 -2.95 115.11 116.72 1ifw h GLN 18 Ca 0.44 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.19 1ifw h GLN 18 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1ifw h GLN 18 CO 0.94 0.00 0.26 -0.22 -0.67 0.00 0.00 178.83 179.15 1ifw h LYS 19 N 0.00 0.00 0.03 1.46 3.64 -1.92 -1.39 116.57 118.39 1ifw h LYS 19 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1ifw h LYS 19 Cb 0.45 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1ifw h LYS 19 CO 0.00 0.00 -0.22 1.96 -2.27 0.00 0.00 179.45 178.92 1ifw h GLN 20 N 0.00 0.09 0.40 1.90 1.08 -1.92 -2.57 115.11 114.09 1ifw h GLN 20 Ca 0.06 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1ifw h GLN 20 Cb 0.58 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 1ifw h GLN 20 CO -0.00 1.04 -0.47 0.00 -0.95 0.00 0.00 178.83 178.45 1ifw h ARG 21 N -0.79 -0.87 0.00 1.46 3.08 -1.44 -0.74 114.38 115.08 1ifw h ARG 21 Ca -0.04 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ifw h ARG 21 Cb 1.15 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1ifw h ARG 21 CO 0.04 -0.58 0.00 0.37 -1.07 0.00 0.00 179.97 178.73 1ifw h GLN 22 N -0.90 0.00 0.00 0.04 4.15 -1.61 -1.59 115.11 115.20 1ifw h GLN 22 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1ifw h GLN 22 Cb 0.81 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.50 1ifw h GLN 22 CO -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.80 1ifw n ALA 23 N -1.88 -0.22 0.10 3.38 0.00 -0.35 -1.82 120.51 119.72 1ifw n ALA 23 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.48 1ifw n ALA 23 Cb 0.18 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.05 1ifw n ALA 23 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ifw h LEU 24 N 0.00 0.28 -1.12 0.00 -0.00 -1.43 -1.81 115.31 111.23 1ifw h LEU 24 Ca 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 1ifw h LEU 24 Cb 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 40.55 1ifw h LEU 24 CO 0.00 0.34 0.45 1.23 -0.00 0.00 0.00 178.44 180.46 1ifw h GLY 25 N 0.60 1.12 1.53 0.83 0.00 -1.39 0.14 103.07 105.91 1ifw h GLY 25 Ca 0.07 -0.48 0.07 0.00 0.00 0.00 0.00 47.33 46.99 1ifw h GLY 25 CO 0.00 0.46 0.17 0.83 0.00 0.00 0.00 176.54 178.00 1ifw h GLU 26 N 1.06 0.01 0.00 4.80 5.08 -0.54 0.29 114.58 125.28 1ifw h GLU 26 Ca 0.28 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1ifw h GLU 26 Cb -0.02 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1ifw h GLU 26 CO -0.05 0.00 -0.16 1.96 -1.00 0.00 0.00 179.01 179.76 1ifw h GLN 27 N 0.01 0.00 -0.77 2.33 4.20 -0.93 -1.10 115.11 118.85 1ifw h GLN 27 Ca 0.11 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1ifw h GLN 27 Cb 0.44 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 1ifw h GLN 27 CO -0.00 0.16 0.51 1.25 -0.67 0.00 0.00 178.83 180.07 1ifw h LEU 28 N 0.00 0.83 0.12 1.46 5.85 -0.38 -0.02 115.31 123.16 1ifw h LEU 28 Ca -0.00 -0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.50 1ifw h LEU 28 Cb 0.30 -0.20 0.02 0.00 0.37 0.00 0.00 40.66 41.16 1ifw h LEU 28 CO 0.02 0.58 -0.87 0.22 -0.34 0.00 0.00 178.44 178.05 1ifw h TYR 29 N 0.97 0.65 -0.86 1.25 3.20 -1.29 -3.22 116.97 117.68 1ifw h TYR 29 Ca 0.30 -0.44 0.06 0.00 3.14 0.00 0.00 58.73 61.78 1ifw h TYR 29 Cb 0.00 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 1ifw h TYR 29 CO -0.00 1.31 0.53 0.87 -1.64 0.00 0.00 178.16 179.24 1ifw h LYS 30 N -0.19 0.96 -0.57 1.82 1.57 -0.91 0.26 116.57 119.51 1ifw h LYS 30 Ca -0.14 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1ifw h LYS 30 Cb 1.64 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.71 1ifw h LYS 30 CO 0.17 0.64 0.30 -0.22 -0.57 0.00 0.00 179.45 179.76 1ifw h LYS 31 N 0.99 0.78 0.20 3.15 3.64 -1.10 0.11 116.57 124.34 1ifw h LYS 31 Ca 0.37 -0.08 -0.28 0.00 -1.27 0.00 0.00 60.65 59.39 1ifw h LYS 31 Cb 0.13 -0.16 0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1ifw h LYS 31 CO -0.16 0.58 -1.25 -0.39 -2.27 0.00 0.00 179.45 175.96 1ifw h VAL 32 N 0.79 1.32 0.00 2.00 -1.51 -1.35 -3.22 116.25 114.28 1ifw h VAL 32 Ca 0.20 -2.60 0.00 0.00 -1.23 0.00 0.00 66.70 63.07 1ifw h VAL 32 Cb 0.04 3.06 0.00 0.00 -2.13 0.00 0.00 31.29 32.25 1ifw h VAL 32 CO -0.03 0.77 0.00 -1.54 -1.23 0.00 0.00 177.57 175.54 1ifw n SER 33 N -3.88 0.00 0.00 4.19 3.41 0.85 -3.70 113.62 114.49 1ifw n SER 33 Ca -0.17 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1ifw n SER 33 Cb 0.98 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 1ifw n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ifw n ALA 34 N -0.86 1.08 0.00 7.33 0.00 0.38 -0.38 120.51 128.06 1ifw n ALA 34 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.66 1ifw n ALA 34 Cb 0.06 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 1ifw n ALA 34 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ifw n LYS 35 N -1.35 0.53 -3.62 0.00 5.02 -1.24 -5.05 118.16 112.45 1ifw n LYS 35 Ca 0.00 -0.16 -0.01 0.00 -2.02 0.00 0.00 58.31 56.13 1ifw n LYS 35 Cb 0.02 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 33.60 1ifw n LYS 35 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ifw s THR 36 N -3.20 0.00 -0.28 -0.18 -1.32 0.48 -5.02 115.64 106.12 1ifw s THR 36 Ca -0.06 -0.01 -0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1ifw s THR 36 Cb 0.11 -1.29 0.22 0.00 -1.51 0.00 0.00 72.50 70.03 1ifw s THR 36 CO 0.72 0.00 1.91 -1.54 -2.21 0.00 0.00 174.62 173.50 1ifw n SER 37 N -0.16 5.86 -4.55 8.08 3.41 -1.26 -4.47 113.62 120.53 1ifw n SER 37 Ca 0.01 -2.98 -0.41 0.00 -0.26 0.00 0.00 58.87 55.23 1ifw n SER 37 Cb 0.59 -0.99 -0.03 0.00 -0.26 0.00 0.00 64.21 63.52 1ifw n SER 37 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ifw s ASN 38 N 0.22 6.09 0.49 4.04 0.01 -1.26 -4.86 114.94 119.67 1ifw s ASN 38 Ca 0.29 -0.36 0.16 0.00 -0.71 0.00 0.00 52.86 52.23 1ifw s ASN 38 Cb 0.23 -2.56 1.17 0.00 0.41 0.00 0.00 41.25 40.50 1ifw s ASN 38 CO 0.01 -1.88 2.08 -0.33 -1.51 0.00 0.00 177.10 175.46 1ifw h GLU 39 N 10.47 0.00 0.00 -0.60 5.08 -1.98 -0.22 114.58 127.33 1ifw h GLU 39 Ca -0.28 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.91 1ifw h GLU 39 Cb 1.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1ifw h GLU 39 CO 1.27 0.09 -0.98 0.93 -1.00 0.00 0.00 179.01 179.31 1ifw h GLU 40 N 0.00 0.00 0.00 2.33 4.39 -1.96 -2.76 114.58 116.58 1ifw h GLU 40 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ifw h GLU 40 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1ifw h GLU 40 CO 0.01 0.58 -0.00 0.00 -1.16 0.00 0.00 179.01 178.44 1ifw h ALA 41 N 1.29 -0.01 -0.78 3.43 0.00 -1.74 -3.07 119.26 118.38 1ifw h ALA 41 Ca -0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ifw h ALA 41 Cb 1.61 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1ifw h ALA 41 CO 0.08 -0.01 0.44 0.00 0.00 0.00 0.00 179.25 179.77 1ifw h ALA 42 N -1.96 1.30 0.00 0.00 0.00 -1.28 -1.55 119.26 115.78 1ifw h ALA 42 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1ifw h ALA 42 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1ifw h ALA 42 CO 0.00 0.58 -0.20 0.78 0.00 0.00 0.00 179.25 180.41 1ifw h GLY 43 N 1.12 0.00 0.40 0.00 0.00 -1.60 0.02 103.07 103.01 1ifw h GLY 43 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1ifw h GLY 43 CO -0.05 0.00 -0.19 1.70 0.00 0.00 0.00 176.54 178.00 1ifw h LYS 44 N 0.00 -0.52 -0.16 4.80 3.11 -1.19 -2.93 116.57 119.69 1ifw h LYS 44 Ca -0.00 0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1ifw h LYS 44 Cb 0.44 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1ifw h LYS 44 CO 0.03 -0.35 0.09 -0.84 -2.81 0.00 0.00 179.45 175.57 1ifw h ILE 45 N -0.96 1.05 -0.37 2.00 3.07 -1.46 -0.22 117.51 120.61 1ifw h ILE 45 Ca -0.05 -0.11 0.01 0.00 1.55 0.00 0.00 64.86 66.26 1ifw h ILE 45 Cb 0.41 0.83 -0.02 0.00 -0.27 0.00 0.00 36.82 37.77 1ifw h ILE 45 CO 0.09 0.05 0.25 0.74 -1.05 0.00 0.00 178.15 178.22 1ifw h THR 46 N 0.22 1.08 -0.54 0.16 2.02 -1.03 -0.91 112.91 113.91 1ifw h THR 46 Ca 0.06 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1ifw h THR 46 Cb -0.01 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1ifw h THR 46 CO -0.01 0.09 0.22 1.23 0.37 0.00 0.00 175.52 177.42 1ifw h GLY 47 N 0.48 0.83 0.69 2.16 0.00 -0.83 0.27 103.07 106.67 1ifw h GLY 47 Ca 0.14 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1ifw h GLY 47 CO -0.03 0.39 -0.04 -0.33 0.00 0.00 0.00 176.54 176.53 1ifw h MET 48 N 0.77 -0.10 0.00 4.80 2.07 -1.19 -2.04 114.93 119.23 1ifw h MET 48 Ca 0.19 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.82 1ifw h MET 48 Cb 0.14 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.89 1ifw h MET 48 CO -0.02 0.21 0.00 -0.89 1.07 0.00 0.00 176.91 177.28 1ifw n ILE 49 N -4.99 0.22 1.61 -1.22 5.41 -0.99 -2.88 119.36 116.51 1ifw n ILE 49 Ca -0.08 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1ifw n ILE 49 Cb 0.19 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.37 1ifw n ILE 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1ifw n LEU 50 N -1.14 0.19 0.11 1.39 -0.00 0.93 -3.29 117.00 115.19 1ifw n LEU 50 Ca 0.12 -0.10 0.13 0.00 -0.00 0.00 0.00 56.01 56.16 1ifw n LEU 50 Cb 0.11 -0.10 0.31 0.00 -0.00 0.00 0.00 43.42 43.74 1ifw n LEU 50 CO 0.13 0.05 0.75 -0.78 -0.00 0.00 0.00 177.39 177.53 1ifw h ASP 51 N 0.02 0.00 -3.50 1.96 1.82 -1.68 -3.45 116.42 111.59 1ifw h ASP 51 Ca 0.00 -0.04 -0.53 0.00 -0.39 0.00 0.00 57.03 56.07 1ifw h ASP 51 Cb 0.10 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 1ifw h ASP 51 CO 0.00 0.02 0.18 -0.76 -1.61 0.00 0.00 179.24 177.07 1ifw s LEU 52 N -4.76 4.55 1.11 2.28 1.02 -1.21 -5.05 118.68 116.63 1ifw s LEU 52 Ca 0.09 1.60 -0.19 0.00 0.02 0.00 0.00 54.13 55.64 1ifw s LEU 52 Cb 0.11 -3.28 0.09 0.00 0.02 0.00 0.00 46.19 43.13 1ifw s LEU 52 CO 0.64 0.15 -0.12 -2.65 0.02 0.00 0.00 176.35 174.39 1ifw n PRO 53 N 1.96 -1.57 0.36 1.29 -0.02 -1.26 -4.55 135.00 131.22 1ifw n PRO 53 Ca -0.05 -0.45 -0.16 0.00 -2.02 0.00 0.00 63.50 60.83 1ifw n PRO 53 Cb 0.49 -1.62 -0.08 0.00 -0.02 0.00 0.00 33.50 32.27 1ifw n PRO 53 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ifw h PRO 54 N -2.04 -0.96 0.02 0.52 0.13 -1.96 -0.25 132.00 127.45 1ifw h PRO 54 Ca -0.51 0.07 -0.25 0.00 -0.87 0.00 0.00 66.00 64.44 1ifw h PRO 54 Cb 1.33 0.22 0.01 0.00 0.13 0.00 0.00 31.00 32.68 1ifw h PRO 54 CO 0.35 -0.64 -1.02 1.96 -0.23 0.00 0.00 178.00 178.42 1ifw h GLN 55 N -1.00 0.50 0.00 0.86 4.20 -1.91 -3.16 115.11 114.60 1ifw h GLN 55 Ca -0.09 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.06 1ifw h GLN 55 Cb 0.79 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1ifw h GLN 55 CO 0.10 1.20 0.00 1.49 -0.67 0.00 0.00 178.83 180.95 1ifw h GLU 56 N 0.27 0.00 0.00 1.46 4.22 -1.91 -1.82 114.58 116.79 1ifw h GLU 56 Ca -0.11 0.00 -0.25 0.00 0.08 0.00 0.00 59.36 59.08 1ifw h GLU 56 Cb 1.67 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.88 1ifw h GLU 56 CO 0.18 0.00 -1.39 -0.24 -2.18 0.00 0.00 179.01 175.39 1ifw h VAL 57 N 0.00 1.17 -0.98 0.32 3.04 -1.00 -3.38 116.25 115.43 1ifw h VAL 57 Ca 0.00 -2.94 0.16 0.00 -1.01 0.00 0.00 66.70 62.91 1ifw h VAL 57 Cb 0.17 2.57 -0.17 0.00 -2.01 0.00 0.00 31.29 31.85 1ifw h VAL 57 CO 0.00 0.67 -0.35 -0.26 -1.01 0.00 0.00 177.57 176.62 1ifw h PHE 58 N 0.00 -0.94 -0.42 3.17 -1.00 -1.34 0.14 116.94 116.55 1ifw h PHE 58 Ca -0.17 0.10 0.03 0.00 2.81 0.00 0.00 57.97 60.74 1ifw h PHE 58 Cb 1.88 0.56 -0.03 0.00 3.61 0.00 0.00 35.95 41.97 1ifw h PHE 58 CO 0.00 -0.41 0.23 -1.00 -1.61 0.00 0.00 178.31 175.52 1ifw h PRO 59 N -0.01 0.45 -0.12 1.51 0.13 -1.73 -1.53 132.00 130.71 1ifw h PRO 59 Ca 0.38 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.46 1ifw h PRO 59 Cb 0.63 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1ifw h PRO 59 CO -0.98 0.30 0.01 1.25 -0.23 0.00 0.00 178.00 178.35 1ifw h LEU 60 N 0.46 0.20 -0.82 1.56 5.85 -1.28 -0.28 115.31 121.00 1ifw h LEU 60 Ca 0.17 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1ifw h LEU 60 Cb 0.05 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1ifw h LEU 60 CO -0.10 0.42 0.00 0.00 -0.34 0.00 0.00 178.44 178.43 1ifw n LEU 61 N -4.82 0.48 -0.00 2.25 -0.00 0.33 -1.92 117.00 113.32 1ifw n LEU 61 Ca -0.06 0.66 0.08 0.00 -0.00 0.00 0.00 56.01 56.70 1ifw n LEU 61 Cb 0.18 -0.66 -0.11 0.00 -0.00 0.00 0.00 43.42 42.84 1ifw n LEU 61 CO 0.35 -0.67 -0.41 -1.84 -0.00 0.00 0.00 177.39 174.83 1ifw n GLU 62 N -2.08 1.02 -3.56 1.47 0.28 -0.59 -4.62 120.64 112.57 1ifw n GLU 62 Ca 0.01 -0.09 -0.39 0.00 -0.16 0.00 0.00 57.16 56.53 1ifw n GLU 62 Cb 0.12 -1.34 -0.11 0.00 1.43 0.00 0.00 31.44 31.55 1ifw n GLU 62 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1ifw s SER 63 N -3.30 6.03 0.10 -1.84 0.01 -0.15 -4.99 113.70 109.56 1ifw s SER 63 Ca -0.01 -0.28 -0.27 0.00 1.31 0.00 0.00 55.95 56.70 1ifw s SER 63 Cb 0.11 -2.13 -0.11 0.00 0.21 0.00 0.00 66.02 64.10 1ifw s SER 63 CO 0.68 -0.17 1.66 0.44 0.41 0.00 0.00 173.24 176.26 1ifw h ASP 64 N 8.44 -0.55 -0.18 2.44 5.19 -1.90 0.42 116.42 130.29 1ifw h ASP 64 Ca -0.33 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.15 1ifw h ASP 64 Cb 1.17 0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.86 1ifw h ASP 64 CO 0.60 -0.30 0.09 1.05 -3.12 0.00 0.00 179.24 177.56 1ifw h GLU 65 N -0.44 0.19 0.00 3.56 4.11 -1.94 0.54 114.58 120.61 1ifw h GLU 65 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1ifw h GLU 65 Cb 0.41 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ifw h GLU 65 CO -0.06 0.13 -0.02 1.25 0.07 0.00 0.00 179.01 180.38 1ifw h LEU 66 N 0.20 0.00 0.00 3.06 7.12 -1.82 -2.88 115.31 120.99 1ifw h LEU 66 Ca 0.07 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1ifw h LEU 66 Cb 0.01 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1ifw h LEU 66 CO -0.04 0.02 -0.01 0.15 -0.13 0.00 0.00 178.44 178.43 1ifw h PHE 67 N 0.00 0.00 -0.93 1.25 3.57 0.28 -3.30 116.94 117.81 1ifw h PHE 67 Ca -0.00 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 1ifw h PHE 67 Cb 0.07 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 38.64 1ifw h PHE 67 CO 0.00 0.65 -0.05 0.93 -2.23 0.00 0.00 178.31 177.61 1ifw h GLU 68 N -1.00 0.03 0.56 1.11 5.08 -0.72 1.29 114.58 120.92 1ifw h GLU 68 Ca -0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1ifw h GLU 68 Cb 0.65 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1ifw h GLU 68 CO -0.00 0.02 -0.40 0.37 -1.00 0.00 0.00 179.01 178.00 1ifw h GLN 69 N 0.03 -0.88 0.21 2.33 4.15 -1.68 0.63 115.11 119.90 1ifw h GLN 69 Ca 0.52 0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.99 1ifw h GLN 69 Cb 0.97 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1ifw h GLN 69 CO -0.88 -0.59 -0.10 0.45 -1.93 0.00 0.00 178.83 175.78 1ifw h HIS 70 N -0.91 -0.27 0.00 3.99 3.86 -1.31 -2.30 115.15 118.21 1ifw h HIS 70 Ca -0.07 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1ifw h HIS 70 Cb 0.75 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1ifw h HIS 70 CO -0.11 -0.04 0.00 0.98 0.86 0.00 0.00 177.93 179.62 1ifw n TYR 71 N -5.14 0.55 0.22 2.45 9.36 0.43 -2.69 117.16 122.35 1ifw n TYR 71 Ca -0.09 0.27 -0.13 0.00 3.32 0.00 0.00 57.90 61.27 1ifw n TYR 71 Cb 0.19 -0.94 -0.07 0.00 -0.63 0.00 0.00 39.34 37.89 1ifw n TYR 71 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1ifw h LYS 72 N 0.00 -0.58 -0.93 2.98 3.64 0.89 0.45 116.57 123.01 1ifw h LYS 72 Ca 0.00 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.61 1ifw h LYS 72 Cb 0.06 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1ifw h LYS 72 CO 0.00 -0.28 0.60 0.93 -2.27 0.00 0.00 179.45 178.43 1ifw h GLU 73 N -1.00 0.53 -0.04 1.90 5.08 -1.55 0.27 114.58 119.77 1ifw h GLU 73 Ca -0.06 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 1ifw h GLU 73 Cb 0.57 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1ifw h GLU 73 CO 0.10 0.35 -0.73 0.00 -1.00 0.00 0.00 179.01 177.73 1ifw h ALA 74 N 1.61 0.68 0.08 3.43 0.00 -1.57 -3.19 119.26 120.30 1ifw h ALA 74 Ca 0.50 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ifw h ALA 74 Cb 1.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ifw h ALA 74 CO -0.23 0.81 -0.09 1.03 0.00 0.00 0.00 179.25 180.77 1ifw h SER 75 N 0.17 -0.23 -0.99 0.00 0.87 0.18 0.65 113.55 114.20 1ifw h SER 75 Ca -0.02 0.02 0.20 0.00 -1.23 0.00 0.00 61.79 60.76 1ifw h SER 75 Cb 1.29 0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 63.23 1ifw h SER 75 CO 0.11 -0.13 0.61 0.00 -0.53 0.00 0.00 176.83 176.90 1ifw h ALA 76 N 0.72 1.79 0.00 6.23 0.00 -1.43 1.05 119.26 127.62 1ifw h ALA 76 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ifw h ALA 76 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ifw h ALA 76 CO -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.05 1ifw h ALA 77 N 1.64 0.99 -0.03 0.00 0.00 -1.30 -3.26 119.26 117.31 1ifw h ALA 77 Ca 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 1ifw h ALA 77 Cb 0.99 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ifw h ALA 77 CO -0.35 0.00 0.01 -0.92 0.00 0.00 0.00 179.25 177.99 1ifw h TYR 78 N 0.00 0.04 -0.22 0.00 5.03 0.71 -0.82 116.97 121.71 1ifw h TYR 78 Ca 0.00 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1ifw h TYR 78 Cb 0.82 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 1ifw h TYR 78 CO 0.00 0.12 0.01 0.93 -1.32 0.00 0.00 178.16 177.90 1ifw h GLU 79 N -0.05 0.38 -0.20 1.82 5.08 -1.53 0.06 114.58 120.14 1ifw h GLU 79 Ca 0.01 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1ifw h GLU 79 Cb 0.09 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1ifw h GLU 79 CO -0.00 0.56 0.04 1.03 -1.00 0.00 0.00 179.01 179.63 1ifw h SER 80 N 0.15 0.00 -0.04 1.42 0.87 -1.59 0.18 113.55 114.55 1ifw h SER 80 Ca 0.06 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1ifw h SER 80 Cb 0.38 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1ifw h SER 80 CO 0.01 0.03 0.00 -0.26 -0.53 0.00 0.00 176.83 176.08 1ifw h PHE 81 N 0.11 0.07 0.43 2.24 0.04 -1.13 -0.82 116.94 117.88 1ifw h PHE 81 Ca 0.09 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1ifw h PHE 81 Cb 0.09 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1ifw h PHE 81 CO -0.14 0.33 -0.43 0.87 -0.60 0.00 0.00 178.31 178.34 1ifw h LYS 82 N -0.21 -0.84 0.00 1.51 1.57 -0.81 -1.04 116.57 116.75 1ifw h LYS 82 Ca 0.01 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ifw h LYS 82 Cb 0.30 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1ifw h LYS 82 CO 0.00 -0.56 0.00 1.63 -0.57 0.00 0.00 179.45 179.95 1ifw n LYS 83 N -5.52 0.00 0.00 3.15 5.02 0.62 -2.04 118.16 119.40 1ifw n LYS 83 Ca -0.11 0.34 0.10 0.00 -2.02 0.00 0.00 58.31 56.63 1ifw n LYS 83 Cb 0.41 -1.50 0.54 0.00 -0.02 0.00 0.00 35.03 34.47 1ifw n LYS 83 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ifw n GLU 84 N -1.50 0.36 -2.72 1.97 4.07 -0.31 -4.60 120.64 117.90 1ifw n GLU 84 Ca 0.02 0.08 -0.42 0.00 -0.06 0.00 0.00 57.16 56.78 1ifw n GLU 84 Cb 0.11 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 29.95 1ifw n GLU 84 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1ifw s GLN 85 N -2.48 3.20 0.24 5.31 -0.21 -0.86 -4.82 119.66 120.03 1ifw s GLN 85 Ca 0.22 -0.66 0.23 0.00 0.02 0.00 0.00 55.36 55.17 1ifw s GLN 85 Cb 0.14 -4.32 0.19 0.00 1.00 0.00 0.00 33.01 30.03 1ifw s GLN 85 CO 0.31 -1.97 1.27 0.93 -2.12 0.00 0.00 175.29 173.70 1ifw h GLU 86 N 9.73 0.00 0.07 2.91 5.08 -1.91 -3.36 114.58 127.10 1ifw h GLU 86 Ca -0.23 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.79 1ifw h GLU 86 Cb 1.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1ifw h GLU 86 CO 1.23 0.00 -1.91 1.04 -1.00 0.00 0.00 179.01 178.37 1ifw n GLN 87 N -2.62 0.68 -2.85 2.33 6.02 -1.26 -4.70 117.38 114.98 1ifw n GLN 87 Ca 0.02 0.33 -0.43 0.00 -0.01 0.00 0.00 57.00 56.91 1ifw n GLN 87 Cb 0.51 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 1ifw n GLN 87 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1ifw s GLN 88 N -2.50 3.54 -0.92 -1.09 -0.21 -1.26 -4.96 119.66 112.27 1ifw s GLN 88 Ca -0.27 -1.53 -0.13 0.00 0.02 0.00 0.00 55.36 53.44 1ifw s GLN 88 Cb 0.07 -4.92 0.22 0.00 1.00 0.00 0.00 33.01 29.39 1ifw s GLN 88 CO 0.68 -1.86 0.91 -0.08 -2.12 0.00 0.00 175.29 172.81 1ifw s THR 89 N 3.27 5.59 0.41 -0.19 -1.32 -1.26 -4.82 115.64 117.32 1ifw s THR 89 Ca 0.34 -2.60 -0.07 0.00 -1.21 0.00 0.00 61.69 58.15 1ifw s THR 89 Cb -0.05 -4.55 0.10 0.00 -1.51 0.00 0.00 72.50 66.49 1ifw s THR 89 CO -0.07 -1.13 0.31 1.21 -2.21 0.00 0.00 174.62 172.73 1ifw n GLU 90 N 4.02 -2.16 -0.02 7.08 2.13 -1.26 -4.95 120.64 125.47 1ifw n GLU 90 Ca 0.18 -0.51 -0.14 0.00 0.66 0.00 0.00 57.16 57.35 1ifw n GLU 90 Cb 0.45 -0.54 -0.02 0.00 0.27 0.00 0.00 31.44 31.60 1ifw n GLU 90 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1ifw h GLN 91 N 0.00 0.73 -0.02 5.31 7.50 -2.06 -3.56 115.11 123.01 1ifw h GLN 91 Ca -0.13 -0.52 0.00 0.00 0.50 0.00 0.00 58.65 58.50 1ifw h GLN 91 Cb 0.40 0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1ifw h GLN 91 CO 0.08 1.14 0.00 0.00 -1.50 0.00 0.00 178.83 178.55