#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifw s PRO 2 N 0.00 4.20 0.12 1.61 0.04 -1.26 -4.96 135.00 134.75 1ifw s PRO 2 Ca 0.00 2.40 -0.30 0.00 0.04 0.00 0.00 61.00 63.14 1ifw s PRO 2 Cb 0.00 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 1ifw s PRO 2 CO 0.00 -0.64 1.22 -0.51 0.04 0.00 0.00 177.00 177.12 1ifw s LEU 3 N 1.22 4.40 0.46 -3.56 1.43 -1.26 -5.02 118.68 116.36 1ifw s LEU 3 Ca 0.71 2.14 -0.14 0.00 -1.03 0.00 0.00 54.13 55.81 1ifw s LEU 3 Cb -0.45 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.11 1ifw s LEU 3 CO 0.31 -0.46 0.89 -0.83 0.23 0.00 0.00 176.35 176.50 1ifw s GLY 4 N 0.70 2.03 -0.60 -3.19 0.00 -1.26 -5.04 107.32 99.95 1ifw s GLY 4 Ca 0.57 0.03 -0.12 0.00 0.00 0.00 0.00 44.72 45.20 1ifw s GLY 4 CO 0.32 0.27 0.51 -0.45 0.00 0.00 0.00 173.10 173.75 1ifw s SER 5 N -3.07 6.08 -0.09 1.64 0.15 -1.26 -5.05 113.70 112.10 1ifw s SER 5 Ca 0.56 -2.18 -0.38 0.00 0.70 0.00 0.00 55.95 54.65 1ifw s SER 5 Cb -0.10 -2.11 -0.15 0.00 -1.71 0.00 0.00 66.02 61.95 1ifw s SER 5 CO 0.31 -0.68 1.60 -2.65 1.20 0.00 0.00 173.24 173.02 1ifw n PRO 6 N 4.61 1.35 -1.41 5.44 -0.02 -1.26 -4.94 135.00 138.77 1ifw n PRO 6 Ca -0.02 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.65 1ifw n PRO 6 Cb 0.42 -2.18 0.10 0.00 -0.02 0.00 0.00 33.50 31.81 1ifw n PRO 6 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ifw s ARG 7 N 2.25 1.96 0.12 -0.52 6.06 -1.26 -5.04 118.95 122.53 1ifw s ARG 7 Ca 0.91 0.80 -0.13 0.00 -2.50 0.00 0.00 55.73 54.80 1ifw s ARG 7 Cb -0.95 -1.89 -0.07 0.00 0.06 0.00 0.00 34.95 32.10 1ifw s ARG 7 CO 0.55 -1.75 0.50 -0.80 -2.50 0.00 0.00 175.30 171.30 1ifw s ASN 8 N -3.68 6.78 0.09 -2.12 0.01 -1.26 -4.99 114.94 109.77 1ifw s ASN 8 Ca 0.61 1.00 0.10 0.00 -0.71 0.00 0.00 52.86 53.86 1ifw s ASN 8 Cb -0.16 -2.26 -0.18 0.00 0.41 0.00 0.00 41.25 39.06 1ifw s ASN 8 CO 0.55 0.13 1.13 0.00 -1.51 0.00 0.00 177.10 177.41 1ifw h ALA 9 N 3.66 0.50 -2.83 0.60 0.00 -2.06 -3.43 119.26 115.70 1ifw h ALA 9 Ca -0.49 -0.99 -0.67 0.00 0.00 0.00 0.00 54.91 52.76 1ifw h ALA 9 Cb 1.19 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 1ifw h ALA 9 CO 0.66 1.25 -0.53 0.54 0.00 0.00 0.00 179.25 181.17 1ifw s ASN 10 N -6.50 5.76 -0.36 0.00 2.20 -1.26 -5.06 114.94 109.72 1ifw s ASN 10 Ca -0.00 -0.38 -0.21 0.00 -0.94 0.00 0.00 52.86 51.33 1ifw s ASN 10 Cb 0.09 -2.06 0.00 0.00 -2.00 0.00 0.00 41.25 37.29 1ifw s ASN 10 CO 0.81 -0.17 0.65 1.51 -2.94 0.00 0.00 177.10 176.96 1ifw s ASP 11 N 1.67 6.43 -0.02 3.54 -4.77 -1.26 -5.04 116.67 117.22 1ifw s ASP 11 Ca 0.06 0.16 -0.22 0.00 -3.30 0.00 0.00 52.55 49.24 1ifw s ASP 11 Cb -0.17 -2.33 -0.05 0.00 -1.09 0.00 0.00 42.92 39.28 1ifw s ASP 11 CO 0.08 -0.60 0.65 0.54 0.70 0.00 0.00 175.17 176.54 1ifw s ASN 12 N 1.80 7.01 -0.58 2.11 2.20 -1.26 -5.03 114.94 121.18 1ifw s ASN 12 Ca 0.25 1.20 -0.04 0.00 -0.94 0.00 0.00 52.86 53.33 1ifw s ASN 12 Cb -0.14 -2.39 0.15 0.00 -2.00 0.00 0.00 41.25 36.86 1ifw s ASN 12 CO 0.15 0.02 0.41 0.20 -2.94 0.00 0.00 177.10 174.93 1ifw s ASN 13 N 0.17 5.40 -1.31 3.54 -0.87 -1.26 -5.00 114.94 115.61 1ifw s ASN 13 Ca 0.34 -2.59 -0.12 0.00 -1.57 0.00 0.00 52.86 48.93 1ifw s ASN 13 Cb -0.18 -1.89 0.13 0.00 -0.02 0.00 0.00 41.25 39.29 1ifw s ASN 13 CO 0.18 -0.45 1.88 1.67 -2.57 0.00 0.00 177.10 177.81 1ifw n GLN 14 N 3.88 3.37 0.14 -0.60 -0.06 -1.26 -4.73 117.38 118.12 1ifw n GLN 14 Ca 0.05 -3.34 0.11 0.00 -2.00 0.00 0.00 57.00 51.82 1ifw n GLN 14 Cb 0.39 -3.07 0.51 0.00 -4.06 0.00 0.00 30.24 24.01 1ifw n GLN 14 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1ifw n PHE 15 N 5.03 0.77 0.28 3.69 7.35 -1.26 -2.27 117.46 131.04 1ifw n PHE 15 Ca 0.43 0.33 -0.14 0.00 -0.76 0.00 0.00 57.45 57.30 1ifw n PHE 15 Cb 0.39 -1.03 -0.08 0.00 0.35 0.00 0.00 39.48 39.11 1ifw n PHE 15 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 1ifw h TYR 16 N 0.00 -0.67 0.00 -5.13 3.20 -1.99 -0.39 116.97 111.98 1ifw h TYR 16 Ca 0.00 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 1ifw h TYR 16 Cb 0.26 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1ifw h TYR 16 CO 0.00 -0.35 -0.35 1.96 -1.64 0.00 0.00 178.16 177.78 1ifw h GLN 17 N -1.02 0.00 0.28 1.82 1.08 -1.96 -2.84 115.11 112.47 1ifw h GLN 17 Ca -0.07 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1ifw h GLN 17 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1ifw h GLN 17 CO 0.12 0.35 -0.14 1.96 -0.95 0.00 0.00 178.83 180.18 1ifw h GLN 18 N 0.00 -0.37 0.00 1.46 4.20 -1.44 -2.72 115.11 116.25 1ifw h GLN 18 Ca -0.00 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1ifw h GLN 18 Cb 0.96 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 1ifw h GLN 18 CO 0.05 -0.04 -0.05 0.87 -0.67 0.00 0.00 178.83 178.98 1ifw h LYS 19 N -0.95 0.00 -0.18 1.46 1.57 -1.14 -1.32 116.57 116.01 1ifw h LYS 19 Ca -0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1ifw h LYS 19 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1ifw h LYS 19 CO 0.06 0.05 -0.45 1.96 -0.57 0.00 0.00 179.45 180.51 1ifw h GLN 20 N 0.00 0.45 0.65 3.15 4.20 -1.51 -2.58 115.11 119.48 1ifw h GLN 20 Ca -0.00 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 1ifw h GLN 20 Cb 0.12 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1ifw h GLN 20 CO 0.01 0.81 -0.49 0.00 -0.67 0.00 0.00 178.83 178.49 1ifw h ARG 21 N 0.36 -1.06 0.00 1.46 3.08 -0.90 -1.65 114.38 115.67 1ifw h ARG 21 Ca 0.02 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1ifw h ARG 21 Cb 0.94 0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ifw h ARG 21 CO 0.08 -0.70 0.00 1.96 -1.07 0.00 0.00 179.97 180.24 1ifw h GLN 22 N -1.10 0.00 0.00 0.04 7.50 -1.61 -2.18 115.11 117.77 1ifw h GLN 22 Ca -0.08 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.07 1ifw h GLN 22 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.44 1ifw h GLN 22 CO 0.03 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.36 1ifw n ALA 23 N -1.98 -0.39 -0.07 3.87 0.00 -0.65 -0.74 120.51 120.56 1ifw n ALA 23 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1ifw n ALA 23 Cb 0.17 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.81 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 0.67 -1.07 0.00 -0.00 -1.54 -2.67 115.31 110.71 1ifw h LEU 24 Ca 0.00 -0.17 0.01 0.00 -0.00 0.00 0.00 57.88 57.72 1ifw h LEU 24 Cb 0.00 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 40.44 1ifw h LEU 24 CO 0.00 0.78 0.61 1.23 -0.00 0.00 0.00 178.44 181.05 1ifw h GLY 25 N 0.95 1.31 1.22 0.83 0.00 -1.46 0.69 103.07 106.62 1ifw h GLY 25 Ca 0.12 -0.50 0.11 0.00 0.00 0.00 0.00 47.33 47.07 1ifw h GLY 25 CO 0.02 0.49 0.28 -2.09 0.00 0.00 0.00 176.54 175.25 1ifw h GLU 26 N 1.26 0.01 -0.58 4.80 4.81 -0.57 0.29 114.58 124.60 1ifw h GLU 26 Ca 0.34 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.61 1ifw h GLU 26 Cb -0.13 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1ifw h GLU 26 CO -0.07 0.01 0.39 1.96 -0.73 0.00 0.00 179.01 180.56 1ifw h GLN 27 N 0.02 0.62 -0.55 1.92 4.20 -0.85 -1.62 115.11 118.85 1ifw h GLN 27 Ca 0.19 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.92 1ifw h GLN 27 Cb 0.73 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 1ifw h GLN 27 CO -0.00 0.41 0.25 1.25 -0.67 0.00 0.00 178.83 180.06 1ifw h LEU 28 N 0.64 0.32 -0.03 1.46 5.85 -0.44 0.32 115.31 123.44 1ifw h LEU 28 Ca 0.24 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1ifw h LEU 28 Cb 0.15 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1ifw h LEU 28 CO -0.07 0.21 -0.03 0.22 -0.34 0.00 0.00 178.44 178.43 1ifw h TYR 29 N 0.47 0.08 -0.38 1.25 3.20 -1.38 -3.04 116.97 117.17 1ifw h TYR 29 Ca 0.26 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 1ifw h TYR 29 Cb 0.23 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1ifw h TYR 29 CO -0.13 0.56 0.00 1.57 -1.64 0.00 0.00 178.16 178.53 1ifw h LYS 30 N -0.42 0.60 -0.70 1.82 2.10 -1.21 0.91 116.57 119.66 1ifw h LYS 30 Ca 0.00 -0.14 -0.02 0.00 -2.00 0.00 0.00 60.65 58.49 1ifw h LYS 30 Cb 0.55 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.76 1ifw h LYS 30 CO 0.01 0.63 0.35 -0.22 -2.00 0.00 0.00 179.45 178.21 1ifw h LYS 31 N 0.58 0.99 0.18 0.07 1.63 -0.39 -0.41 116.57 119.22 1ifw h LYS 31 Ca 0.12 -0.13 -0.26 0.00 -0.85 0.00 0.00 60.65 59.53 1ifw h LYS 31 Cb 0.36 -0.19 0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1ifw h LYS 31 CO 0.01 0.76 -1.20 -0.39 -3.45 0.00 0.00 179.45 175.18 1ifw h VAL 32 N 0.99 1.33 0.00 2.00 -1.51 -1.34 -3.24 116.25 114.47 1ifw h VAL 32 Ca 0.25 -2.58 0.00 0.00 -1.23 0.00 0.00 66.70 63.14 1ifw h VAL 32 Cb 0.08 3.05 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 1ifw h VAL 32 CO -0.03 0.76 0.00 -0.24 -1.23 0.00 0.00 177.57 176.83 1ifw n SER 33 N -3.92 0.11 0.00 4.19 2.88 0.28 -3.76 113.62 113.40 1ifw n SER 33 Ca -0.17 -1.66 0.04 0.00 -1.33 0.00 0.00 58.87 55.74 1ifw n SER 33 Cb 0.95 -0.05 0.18 0.00 -0.75 0.00 0.00 64.21 64.54 1ifw n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ifw n ALA 34 N -0.42 1.45 0.81 -1.46 0.00 -0.18 -1.43 120.51 119.29 1ifw n ALA 34 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1ifw n ALA 34 Cb 0.03 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.28 1ifw n ALA 34 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ifw n LYS 35 N -1.39 1.36 0.00 0.00 2.85 -1.25 -5.05 118.16 114.69 1ifw n LYS 35 Ca 0.03 -0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 1ifw n LYS 35 Cb 0.08 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 1ifw n LYS 35 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1ifw n THR 36 N -1.07 0.00 -1.19 0.58 5.66 -0.51 -5.02 114.28 112.73 1ifw n THR 36 Ca 0.04 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.76 1ifw n THR 36 Cb 0.30 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1ifw n THR 36 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1ifw n SER 37 N 0.00 6.20 -4.56 1.09 7.64 -1.26 -4.60 113.62 118.13 1ifw n SER 37 Ca 0.00 -3.61 -0.41 0.00 1.01 0.00 0.00 58.87 55.86 1ifw n SER 37 Cb 0.00 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 1ifw n SER 37 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ifw s ASN 38 N -1.37 6.18 0.56 6.43 0.01 -1.26 -4.86 114.94 120.62 1ifw s ASN 38 Ca 0.57 -0.16 0.24 0.00 -0.71 0.00 0.00 52.86 52.79 1ifw s ASN 38 Cb 0.46 -2.55 1.57 0.00 0.41 0.00 0.00 41.25 41.14 1ifw s ASN 38 CO 0.03 -1.76 2.19 -0.08 -1.51 0.00 0.00 177.10 175.97 1ifw h GLU 39 N 10.33 0.00 0.00 -0.60 4.81 -1.99 0.13 114.58 127.26 1ifw h GLU 39 Ca -0.27 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 1ifw h GLU 39 Cb 1.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1ifw h GLU 39 CO 1.24 0.00 -0.52 1.49 -0.73 0.00 0.00 179.01 180.49 1ifw h GLU 40 N 0.00 0.00 0.00 1.92 4.81 -1.97 -2.90 114.58 116.44 1ifw h GLU 40 Ca 0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1ifw h GLU 40 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1ifw h GLU 40 CO -0.00 0.15 -0.00 0.00 -0.73 0.00 0.00 179.01 178.42 1ifw h ALA 41 N 1.82 -0.03 -0.61 2.92 0.00 -1.39 -3.06 119.26 118.91 1ifw h ALA 41 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ifw h ALA 41 Cb 1.15 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1ifw h ALA 41 CO 0.02 -0.03 0.34 0.00 0.00 0.00 0.00 179.25 179.58 1ifw h ALA 42 N -1.96 1.44 0.00 0.00 0.00 -1.57 -1.51 119.26 115.67 1ifw h ALA 42 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1ifw h ALA 42 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ifw h ALA 42 CO 0.00 0.46 -0.32 0.78 0.00 0.00 0.00 179.25 180.18 1ifw h GLY 43 N 0.91 0.00 0.35 0.00 0.00 -1.69 0.22 103.07 102.86 1ifw h GLY 43 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1ifw h GLY 43 CO -0.04 0.00 -0.14 1.70 0.00 0.00 0.00 176.54 178.06 1ifw h LYS 44 N 0.00 -0.38 -0.25 4.80 1.63 -1.19 -2.78 116.57 118.40 1ifw h LYS 44 Ca -0.00 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.72 1ifw h LYS 44 Cb 0.62 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1ifw h LYS 44 CO 0.04 -0.15 -0.26 -0.84 -3.45 0.00 0.00 179.45 174.79 1ifw h ILE 45 N -1.05 1.27 -0.44 2.00 3.07 -1.44 -2.44 117.51 118.47 1ifw h ILE 45 Ca -0.04 -1.29 0.00 0.00 1.55 0.00 0.00 64.86 65.08 1ifw h ILE 45 Cb 0.41 1.36 -0.02 0.00 -0.27 0.00 0.00 36.82 38.29 1ifw h ILE 45 CO 0.07 0.41 0.28 0.74 -1.05 0.00 0.00 178.15 178.59 1ifw h THR 46 N 0.43 1.12 -0.26 0.16 2.02 -0.67 -0.99 112.91 114.72 1ifw h THR 46 Ca 0.06 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1ifw h THR 46 Cb 0.68 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1ifw h THR 46 CO 0.05 0.12 0.07 1.23 0.37 0.00 0.00 175.52 177.36 1ifw h GLY 47 N 0.63 0.39 0.67 2.16 0.00 -1.14 0.44 103.07 106.22 1ifw h GLY 47 Ca 0.16 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1ifw h GLY 47 CO -0.03 0.17 -0.17 -0.33 0.00 0.00 0.00 176.54 176.18 1ifw h MET 48 N 0.36 0.29 0.00 4.80 2.86 -1.19 -2.63 114.93 119.42 1ifw h MET 48 Ca 0.09 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1ifw h MET 48 Cb 0.14 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1ifw h MET 48 CO -0.00 0.76 0.00 -0.89 1.06 0.00 0.00 176.91 177.83 1ifw n ILE 49 N -4.56 0.26 1.24 -1.22 5.41 -0.94 -3.12 119.36 116.42 1ifw n ILE 49 Ca -0.07 0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1ifw n ILE 49 Cb 0.39 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 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 -1.23 0.31 0.17 1.39 -0.00 0.15 -3.11 117.00 114.67 1ifw n LEU 50 Ca 0.12 -0.15 0.12 0.00 -0.00 0.00 0.00 56.01 56.09 1ifw n LEU 50 Cb 0.16 -0.15 0.17 0.00 -0.00 0.00 0.00 43.42 43.59 1ifw n LEU 50 CO 0.16 0.08 0.64 0.44 -0.00 0.00 0.00 177.39 178.70 1ifw h ASP 51 N 0.09 0.00 -3.35 1.96 5.19 -1.72 -3.44 116.42 115.14 1ifw h ASP 51 Ca 0.00 -0.01 -0.56 0.00 -0.62 0.00 0.00 57.03 55.84 1ifw h ASP 51 Cb 0.15 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.62 1ifw h ASP 51 CO 0.00 0.01 0.28 -0.76 -3.12 0.00 0.00 179.24 175.65 1ifw s LEU 52 N -5.65 4.29 1.03 1.55 1.02 -1.18 -5.04 118.68 114.70 1ifw s LEU 52 Ca 0.06 1.35 -0.19 0.00 0.02 0.00 0.00 54.13 55.36 1ifw s LEU 52 Cb 0.08 -3.30 0.03 0.00 0.02 0.00 0.00 46.19 43.02 1ifw s LEU 52 CO 0.69 -0.26 -0.38 -2.65 0.02 0.00 0.00 176.35 173.77 1ifw n PRO 53 N 4.28 -1.23 0.17 1.29 -0.02 -1.26 -4.40 135.00 133.83 1ifw n PRO 53 Ca 0.03 -0.35 -0.12 0.00 -2.02 0.00 0.00 63.50 61.03 1ifw n PRO 53 Cb 0.50 -1.42 -0.07 0.00 -0.02 0.00 0.00 33.50 32.50 1ifw n PRO 53 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ifw h PRO 54 N -1.90 -0.63 0.02 0.52 0.11 -1.96 -0.50 132.00 127.67 1ifw h PRO 54 Ca -0.41 0.04 -0.25 0.00 0.11 0.00 0.00 66.00 65.49 1ifw h PRO 54 Cb 1.18 0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.44 1ifw h PRO 54 CO 0.27 -0.42 -1.04 -0.56 -0.21 0.00 0.00 178.00 176.04 1ifw h GLN 55 N -0.65 0.54 0.00 1.05 -0.00 -1.90 -3.20 115.11 110.95 1ifw h GLN 55 Ca -0.03 -0.62 0.00 0.00 -0.00 0.00 0.00 58.65 58.00 1ifw h GLN 55 Cb 0.58 0.18 0.00 0.00 -0.00 0.00 0.00 27.48 28.24 1ifw h GLN 55 CO -0.08 1.23 0.00 1.49 -0.00 0.00 0.00 178.83 181.47 1ifw h GLU 56 N 0.29 0.00 0.00 0.06 4.81 -1.89 -1.68 114.58 116.17 1ifw h GLU 56 Ca -0.12 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 1ifw h GLU 56 Cb 1.69 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 1ifw h GLU 56 CO 0.19 0.00 -1.07 -0.24 -0.73 0.00 0.00 179.01 177.17 1ifw h VAL 57 N 0.00 0.70 -0.61 0.32 3.04 -1.07 -3.38 116.25 115.26 1ifw h VAL 57 Ca 0.00 -2.16 0.11 0.00 -1.01 0.00 0.00 66.70 63.64 1ifw h VAL 57 Cb 0.14 2.22 -0.12 0.00 -2.01 0.00 0.00 31.29 31.52 1ifw h VAL 57 CO 0.00 0.40 -0.29 -0.26 -1.01 0.00 0.00 177.57 176.41 1ifw h PHE 58 N 0.00 -0.78 -0.71 3.17 -1.00 -1.36 0.10 116.94 116.36 1ifw h PHE 58 Ca -0.10 0.07 0.16 0.00 2.81 0.00 0.00 57.97 60.91 1ifw h PHE 58 Cb 1.53 0.43 -0.04 0.00 3.61 0.00 0.00 35.95 41.48 1ifw h PHE 58 CO 0.00 -0.36 0.49 -1.35 -1.61 0.00 0.00 178.31 175.48 1ifw h PRO 59 N -0.13 0.29 0.00 1.51 0.11 -1.73 -0.91 132.00 131.14 1ifw h PRO 59 Ca 0.25 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 1ifw h PRO 59 Cb 0.54 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 1ifw h PRO 59 CO -0.68 0.19 -0.11 1.25 -0.21 0.00 0.00 178.00 178.44 1ifw h LEU 60 N 0.29 0.00 -1.81 2.35 5.85 -1.16 -2.14 115.31 118.70 1ifw h LEU 60 Ca 0.35 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1ifw h LEU 60 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1ifw h LEU 60 CO -0.09 1.03 0.00 0.17 -0.34 0.00 0.00 178.44 179.21 1ifw h LEU 61 N -1.00 0.00 0.00 2.25 8.10 -0.57 -2.16 115.31 121.93 1ifw h LEU 61 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1ifw h LEU 61 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.22 1ifw h LEU 61 CO -0.02 0.00 -1.66 -0.62 -4.11 0.00 0.00 178.44 172.03 1ifw n GLU 62 N -2.65 0.64 -3.22 0.17 -0.58 -0.38 -4.68 120.64 109.94 1ifw n GLU 62 Ca -0.01 -0.14 -0.42 0.00 -0.42 0.00 0.00 57.16 56.17 1ifw n GLU 62 Cb 0.12 -1.39 -0.08 0.00 -0.57 0.00 0.00 31.44 29.52 1ifw n GLU 62 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ifw s SER 63 N -3.80 6.31 0.10 1.62 0.15 -0.80 -4.97 113.70 112.30 1ifw s SER 63 Ca -0.05 -0.17 -0.31 0.00 0.70 0.00 0.00 55.95 56.13 1ifw s SER 63 Cb 0.11 -2.28 -0.12 0.00 -1.71 0.00 0.00 66.02 62.02 1ifw s SER 63 CO 0.71 -0.56 1.61 0.44 1.20 0.00 0.00 173.24 176.64 1ifw h ASP 64 N 8.58 -0.97 -0.28 5.45 3.32 -1.90 0.33 116.42 130.95 1ifw h ASP 64 Ca -0.27 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1ifw h ASP 64 Cb 1.12 0.34 -0.01 0.00 0.22 0.00 0.00 39.33 40.99 1ifw h ASP 64 CO 0.80 -0.48 0.19 1.05 -1.72 0.00 0.00 179.24 179.08 1ifw h GLU 65 N -0.70 0.37 -0.23 3.56 4.11 -1.93 -0.93 114.58 118.84 1ifw h GLU 65 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 1ifw h GLU 65 Cb 0.65 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1ifw h GLU 65 CO -0.10 0.24 0.10 1.25 0.07 0.00 0.00 179.01 180.58 1ifw h LEU 66 N 0.38 0.27 0.24 3.06 7.12 -1.82 -2.95 115.31 121.61 1ifw h LEU 66 Ca 0.11 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 1ifw h LEU 66 Cb -0.04 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.02 1ifw h LEU 66 CO -0.03 0.25 -0.12 0.15 -0.13 0.00 0.00 178.44 178.56 1ifw h PHE 67 N 0.31 -0.30 -0.91 1.25 3.57 0.38 -3.21 116.94 118.04 1ifw h PHE 67 Ca 0.08 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.81 1ifw h PHE 67 Cb 0.05 0.10 -0.16 0.00 2.79 0.00 0.00 35.95 38.73 1ifw h PHE 67 CO 0.00 0.08 0.04 0.93 -2.23 0.00 0.00 178.31 177.13 1ifw h GLU 68 N -0.83 0.06 0.80 1.11 5.08 -1.03 1.12 114.58 120.89 1ifw h GLU 68 Ca -0.03 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1ifw h GLU 68 Cb 0.51 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ifw h GLU 68 CO 0.05 0.04 -0.47 0.37 -1.00 0.00 0.00 179.01 178.01 1ifw h GLN 69 N 0.07 -1.13 0.20 2.33 4.15 -1.61 0.86 115.11 119.98 1ifw h GLN 69 Ca 0.53 0.08 -0.01 0.00 0.77 0.00 0.00 58.65 60.02 1ifw h GLN 69 Cb 1.05 0.26 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1ifw h GLN 69 CO -0.81 -0.75 -0.10 0.45 -1.93 0.00 0.00 178.83 175.69 1ifw h HIS 70 N -1.17 -0.25 0.00 3.99 3.86 -1.30 -1.90 115.15 118.37 1ifw h HIS 70 Ca -0.11 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1ifw h HIS 70 Cb 0.93 0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1ifw h HIS 70 CO -0.07 -0.05 0.00 0.98 0.86 0.00 0.00 177.93 179.65 1ifw n TYR 71 N -5.15 0.59 0.31 2.45 9.36 0.38 -2.73 117.16 122.38 1ifw n TYR 71 Ca -0.09 0.29 -0.14 0.00 3.32 0.00 0.00 57.90 61.28 1ifw n TYR 71 Cb 0.18 -0.96 -0.07 0.00 -0.63 0.00 0.00 39.34 37.86 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 -0.80 -0.92 2.98 3.64 0.16 0.46 116.57 122.09 1ifw h LYS 72 Ca 0.00 0.05 0.20 0.00 -1.27 0.00 0.00 60.65 59.64 1ifw h LYS 72 Cb 0.08 0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.01 1ifw h LYS 72 CO 0.00 -0.51 0.60 1.49 -2.27 0.00 0.00 179.45 178.76 1ifw h GLU 73 N -1.18 0.44 0.01 1.90 4.81 -1.51 0.45 114.58 119.50 1ifw h GLU 73 Ca -0.09 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 58.93 1ifw h GLU 73 Cb 0.66 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1ifw h GLU 73 CO 0.14 0.29 -0.87 0.00 -0.73 0.00 0.00 179.01 177.84 1ifw h ALA 74 N 1.61 0.55 0.35 2.92 0.00 -1.53 -3.23 119.26 119.93 1ifw h ALA 74 Ca 0.48 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1ifw h ALA 74 Cb 1.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ifw h ALA 74 CO -0.20 1.01 -0.17 1.03 0.00 0.00 0.00 179.25 180.92 1ifw h SER 75 N 0.04 -0.39 -1.00 0.00 0.87 0.47 0.42 113.55 113.95 1ifw h SER 75 Ca -0.03 -0.02 0.23 0.00 -1.23 0.00 0.00 61.79 60.74 1ifw h SER 75 Cb 1.52 0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 63.48 1ifw h SER 75 CO 0.12 -0.24 0.62 0.00 -0.53 0.00 0.00 176.83 176.81 1ifw h ALA 76 N 0.13 1.94 0.00 6.23 0.00 -1.39 1.19 119.26 127.35 1ifw h ALA 76 Ca -0.05 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ifw h ALA 76 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ifw h ALA 76 CO 0.08 -0.33 -0.18 0.00 0.00 0.00 0.00 179.25 178.83 1ifw h ALA 77 N 1.65 0.91 0.29 0.00 0.00 -1.43 -3.25 119.26 117.43 1ifw h ALA 77 Ca 0.58 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ifw h ALA 77 Cb 1.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1ifw h ALA 77 CO -0.34 0.22 -0.27 -0.92 0.00 0.00 0.00 179.25 177.94 1ifw h TYR 78 N 0.00 -0.71 -1.00 0.00 5.03 0.60 -1.68 116.97 119.20 1ifw h TYR 78 Ca -0.00 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.36 1ifw h TYR 78 Cb 1.01 0.27 -0.06 0.00 1.55 0.00 0.00 36.73 39.51 1ifw h TYR 78 CO 0.00 -0.39 0.66 0.93 -1.32 0.00 0.00 178.16 178.03 1ifw h GLU 79 N -0.58 1.21 -0.78 1.82 4.39 -1.51 -1.13 114.58 118.00 1ifw h GLU 79 Ca -0.01 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.65 1ifw h GLU 79 Cb 0.53 -0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 1ifw h GLU 79 CO -0.04 0.80 0.49 1.03 -1.16 0.00 0.00 179.01 180.13 1ifw h SER 80 N 1.25 0.81 0.28 1.42 0.87 -1.48 0.29 113.55 116.98 1ifw h SER 80 Ca 0.41 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 1ifw h SER 80 Cb 0.04 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1ifw h SER 80 CO -0.14 0.55 -0.13 -0.26 -0.53 0.00 0.00 176.83 176.32 1ifw h PHE 81 N 0.95 -0.34 -0.58 2.24 0.04 -0.65 -1.60 116.94 116.99 1ifw h PHE 81 Ca 0.32 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 61.12 1ifw h PHE 81 Cb 0.04 0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 1ifw h PHE 81 CO -0.03 -0.01 0.33 1.57 -0.60 0.00 0.00 178.31 179.57 1ifw h LYS 82 N -0.96 0.62 0.00 1.51 2.10 -1.18 -0.62 116.57 118.05 1ifw h LYS 82 Ca -0.04 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1ifw h LYS 82 Cb 0.49 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1ifw h LYS 82 CO 0.06 0.41 0.00 1.63 -2.00 0.00 0.00 179.45 179.55 1ifw n LYS 83 N -4.79 0.17 -0.02 0.07 5.02 0.10 -3.57 118.16 115.14 1ifw n LYS 83 Ca 0.06 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.29 1ifw n LYS 83 Cb 0.12 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 1ifw n LYS 83 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1ifw h GLU 84 N 0.00 -0.04 -3.16 1.97 4.81 -0.06 -3.34 114.58 114.76 1ifw h GLU 84 Ca 0.00 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.52 1ifw h GLU 84 Cb 0.32 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1ifw h GLU 84 CO 0.00 0.57 2.96 1.04 -0.73 0.00 0.00 179.01 182.85 1ifw n GLN 85 N -4.81 3.80 0.14 1.92 3.00 -1.19 -4.53 117.38 115.71 1ifw n GLN 85 Ca -0.09 -2.89 0.12 0.00 -0.01 0.00 0.00 57.00 54.13 1ifw n GLN 85 Cb 0.31 -2.86 0.13 0.00 0.00 0.00 0.00 30.24 27.82 1ifw n GLN 85 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1ifw h GLU 86 N 5.20 0.00 0.00 -1.09 5.08 -1.80 -3.32 114.58 118.66 1ifw h GLU 86 Ca 0.68 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.98 1ifw h GLU 86 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1ifw h GLU 86 CO 1.69 0.00 -1.92 0.94 -1.00 0.00 0.00 179.01 178.71 1ifw n GLN 87 N -2.67 0.68 -2.81 2.33 7.27 -1.26 -4.81 117.38 116.10 1ifw n GLN 87 Ca 0.03 -0.14 -0.43 0.00 0.07 0.00 0.00 57.00 56.52 1ifw n GLN 87 Cb 0.51 -1.45 -0.03 0.00 2.41 0.00 0.00 30.24 31.68 1ifw n GLN 87 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1ifw s GLN 88 N -3.15 3.46 -0.44 3.69 1.11 -1.25 -4.83 119.66 118.26 1ifw s GLN 88 Ca -0.07 -1.32 0.04 0.00 0.01 0.00 0.00 55.36 54.02 1ifw s GLN 88 Cb 0.11 -4.82 0.63 0.00 -1.01 0.00 0.00 33.01 27.92 1ifw s GLN 88 CO 0.77 -1.90 1.86 2.41 0.01 0.00 0.00 175.29 178.44 1ifw n THR 89 N 5.96 3.15 0.09 -0.19 -1.04 -1.26 -4.44 114.28 116.53 1ifw n THR 89 Ca 0.19 -2.11 -0.06 0.00 -2.04 0.00 0.00 64.05 60.02 1ifw n THR 89 Cb 0.49 -0.50 -0.03 0.00 -1.82 0.00 0.00 70.33 68.47 1ifw n THR 89 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1ifw h GLU 90 N 1.07 0.05 -7.53 -2.82 5.08 -1.97 -3.45 114.58 105.00 1ifw h GLU 90 Ca 0.58 -0.07 -0.46 0.00 -1.00 0.00 0.00 59.36 58.42 1ifw h GLU 90 Cb 2.59 0.02 0.12 0.00 0.50 0.00 0.00 28.75 31.98 1ifw h GLU 90 CO 1.04 0.91 0.31 1.14 -1.00 0.00 0.00 179.01 181.40 1ifw s GLN 91 N -3.03 1.27 0.00 2.33 -2.07 -1.26 -5.33 119.66 111.57 1ifw s GLN 91 Ca -0.01 -0.54 0.29 0.00 -1.82 0.00 0.00 55.36 53.28 1ifw s GLN 91 Cb 0.11 -2.04 1.21 0.00 -1.09 0.00 0.00 33.01 31.20 1ifw s GLN 91 CO 0.81 -1.91 1.83 0.00 -1.32 0.00 0.00 175.29 174.71