#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifw h PRO 2 N 0.00 -0.47 -6.57 1.61 0.11 -2.10 -3.43 132.00 121.16 1ifw h PRO 2 Ca 0.00 0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.69 1ifw h PRO 2 Cb 0.00 0.11 0.02 0.00 0.11 0.00 0.00 31.00 31.24 1ifw h PRO 2 CO 0.00 -0.31 -0.18 -1.17 -0.21 0.00 0.00 178.00 176.13 1ifw s LEU 3 N -7.99 3.75 -0.33 2.35 0.20 -1.26 -5.08 118.68 110.32 1ifw s LEU 3 Ca -0.10 0.10 -0.10 0.00 0.69 0.00 0.00 54.13 54.72 1ifw s LEU 3 Cb 0.03 -3.00 0.01 0.00 -0.43 0.00 0.00 46.19 42.80 1ifw s LEU 3 CO 0.36 -0.62 0.16 -0.83 -0.29 0.00 0.00 176.35 175.13 1ifw s GLY 4 N -4.21 1.88 -0.18 7.98 0.00 -1.26 -4.97 107.32 106.56 1ifw s GLY 4 Ca 0.47 -1.54 -0.16 0.00 0.00 0.00 0.00 44.72 43.50 1ifw s GLY 4 CO 0.35 0.75 0.06 1.76 0.00 0.00 0.00 173.10 176.02 1ifw h SER 5 N 8.37 0.00 -2.87 1.64 0.02 -1.98 -3.46 113.55 115.26 1ifw h SER 5 Ca -0.29 -0.30 -0.54 0.00 -0.84 0.00 0.00 61.79 59.82 1ifw h SER 5 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1ifw h SER 5 CO 0.63 1.17 0.86 -2.16 -1.14 0.00 0.00 176.83 176.19 1ifw s PRO 6 N -2.29 4.27 0.04 3.45 0.04 -1.26 -5.00 135.00 134.25 1ifw s PRO 6 Ca -0.22 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 1ifw s PRO 6 Cb 0.04 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1ifw s PRO 6 CO 0.43 -0.60 0.83 1.03 0.04 0.00 0.00 177.00 178.73 1ifw s ARG 7 N 2.39 4.54 -0.42 4.56 3.00 -1.26 -5.03 118.95 126.73 1ifw s ARG 7 Ca 0.66 1.17 -0.20 0.00 0.00 0.00 0.00 55.73 57.35 1ifw s ARG 7 Cb -0.33 -3.39 0.02 0.00 0.00 0.00 0.00 34.95 31.25 1ifw s ARG 7 CO 0.28 0.19 0.62 -0.80 0.00 0.00 0.00 175.30 175.59 1ifw s ASN 8 N 0.21 6.33 0.05 0.23 0.01 -1.26 -4.95 114.94 115.56 1ifw s ASN 8 Ca 0.42 -0.26 -0.28 0.00 -0.71 0.00 0.00 52.86 52.03 1ifw s ASN 8 Cb -0.21 -2.31 -0.17 0.00 0.41 0.00 0.00 41.25 38.97 1ifw s ASN 8 CO 0.24 -0.72 1.49 0.00 -1.51 0.00 0.00 177.10 176.61 1ifw h ALA 9 N 8.77 -0.51 -2.72 0.60 0.00 -2.06 -3.34 119.26 120.00 1ifw h ALA 9 Ca -0.26 -0.15 -0.76 0.00 0.00 0.00 0.00 54.91 53.74 1ifw h ALA 9 Cb 1.10 0.20 -0.31 0.00 0.00 0.00 0.00 17.79 18.78 1ifw h ALA 9 CO 0.87 -0.72 0.18 -0.80 0.00 0.00 0.00 179.25 178.78 1ifw s ASN 10 N -4.85 6.68 -0.89 0.00 0.01 -1.26 -5.00 114.94 109.63 1ifw s ASN 10 Ca -0.15 -3.53 -0.21 0.00 -0.71 0.00 0.00 52.86 48.25 1ifw s ASN 10 Cb 0.03 -2.08 0.09 0.00 0.41 0.00 0.00 41.25 39.71 1ifw s ASN 10 CO 0.60 -0.28 1.19 -0.62 -1.51 0.00 0.00 177.10 176.49 1ifw s ASP 11 N 0.81 6.48 0.07 -1.22 2.15 -1.26 -5.00 116.67 118.70 1ifw s ASP 11 Ca 0.28 -1.59 -0.21 0.00 0.43 0.00 0.00 52.55 51.46 1ifw s ASP 11 Cb -0.09 -2.46 -0.06 0.00 -0.30 0.00 0.00 42.92 40.00 1ifw s ASP 11 CO -0.10 -1.30 0.61 0.20 -0.17 0.00 0.00 175.17 174.41 1ifw s ASN 12 N 4.01 7.09 -0.37 -0.34 0.01 -1.26 -4.99 114.94 119.09 1ifw s ASN 12 Ca 0.34 1.30 0.13 0.00 -0.71 0.00 0.00 52.86 53.92 1ifw s ASN 12 Cb -0.06 -2.38 0.40 0.00 0.41 0.00 0.00 41.25 39.62 1ifw s ASN 12 CO -0.05 0.22 1.02 -3.20 -1.51 0.00 0.00 177.10 173.58 1ifw n ASN 13 N 1.98 -0.02 -4.39 -1.22 4.05 -1.26 -5.05 115.26 109.36 1ifw n ASN 13 Ca -0.09 -2.86 -0.45 0.00 0.45 0.00 0.00 54.58 51.63 1ifw n ASN 13 Cb 0.50 0.16 -0.01 0.00 1.23 0.00 0.00 39.78 41.66 1ifw n ASN 13 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1ifw s GLN 14 N -1.71 3.86 -0.49 1.20 -0.21 -1.26 -4.88 119.66 116.17 1ifw s GLN 14 Ca 0.28 -2.53 -0.02 0.00 0.02 0.00 0.00 55.36 53.11 1ifw s GLN 14 Cb 0.40 -4.70 0.21 0.00 1.00 0.00 0.00 33.01 29.92 1ifw s GLN 14 CO -0.03 -1.48 2.31 0.34 -2.12 0.00 0.00 175.29 174.31 1ifw n PHE 15 N 4.56 2.02 -0.04 0.91 7.35 -1.26 -4.33 117.46 126.67 1ifw n PHE 15 Ca 0.23 -2.18 -0.14 0.00 -0.76 0.00 0.00 57.45 54.61 1ifw n PHE 15 Cb 0.45 -1.23 -0.14 0.00 0.35 0.00 0.00 39.48 38.90 1ifw n PHE 15 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 1ifw n TYR 16 N 0.23 0.78 -2.08 -5.13 9.36 -1.26 -4.59 117.16 114.47 1ifw n TYR 16 Ca 0.46 0.22 -0.42 0.00 3.32 0.00 0.00 57.90 61.47 1ifw n TYR 16 Cb 0.54 -1.12 0.00 0.00 -0.63 0.00 0.00 39.34 38.12 1ifw n TYR 16 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1ifw n GLN 17 N -3.17 3.04 0.11 2.98 6.02 -1.26 -4.66 117.38 120.44 1ifw n GLN 17 Ca -0.28 -2.93 0.13 0.00 -0.01 0.00 0.00 57.00 53.90 1ifw n GLN 17 Cb 1.06 -3.30 0.43 0.00 1.02 0.00 0.00 30.24 29.45 1ifw n GLN 17 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1ifw n GLN 18 N 6.52 0.24 0.20 -1.09 7.27 -1.26 -3.05 117.38 126.20 1ifw n GLN 18 Ca 0.49 0.26 0.09 0.00 0.07 0.00 0.00 57.00 57.91 1ifw n GLN 18 Cb 0.41 -1.81 0.23 0.00 2.41 0.00 0.00 30.24 31.48 1ifw n GLN 18 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1ifw h LYS 19 N 0.00 0.00 0.16 3.69 3.64 -1.98 -2.75 116.57 119.33 1ifw h LYS 19 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1ifw h LYS 19 Cb 0.64 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1ifw h LYS 19 CO 0.00 0.22 -1.47 -0.56 -2.27 0.00 0.00 179.45 175.37 1ifw h GLN 20 N 0.00 0.34 0.49 1.90 3.07 -1.94 -2.73 115.11 116.25 1ifw h GLN 20 Ca -0.00 -0.59 -0.02 0.00 0.09 0.00 0.00 58.65 58.13 1ifw h GLN 20 Cb 1.04 0.22 0.00 0.00 0.08 0.00 0.00 27.48 28.82 1ifw h GLN 20 CO 0.03 1.28 -0.24 0.00 0.09 0.00 0.00 178.83 179.99 1ifw h ARG 21 N -0.11 -0.63 0.00 0.06 3.08 -1.62 -2.42 114.38 112.74 1ifw h ARG 21 Ca -0.29 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1ifw h ARG 21 Cb 1.92 0.14 0.00 0.00 0.08 0.00 0.00 29.97 32.12 1ifw h ARG 21 CO 0.14 -0.38 0.00 0.94 -1.07 0.00 0.00 179.97 179.60 1ifw n GLN 22 N -5.33 0.20 0.00 0.04 -0.06 -1.04 -2.14 117.38 109.05 1ifw n GLN 22 Ca -0.12 0.46 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 1ifw n GLN 22 Cb 0.29 -1.90 0.00 0.00 -4.06 0.00 0.00 30.24 24.58 1ifw n GLN 22 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ifw n ALA 23 N -1.79 -0.26 0.03 1.69 0.00 -0.92 -0.11 120.51 119.16 1ifw n ALA 23 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.47 1ifw n ALA 23 Cb 0.21 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.00 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 0.41 -0.89 0.00 -0.00 -1.63 -2.34 115.31 110.87 1ifw h LEU 24 Ca 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 1ifw h LEU 24 Cb 0.00 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.51 1ifw h LEU 24 CO 0.00 0.47 0.53 1.23 -0.00 0.00 0.00 178.44 180.67 1ifw h GLY 25 N 0.75 1.29 1.65 0.83 0.00 -1.48 -0.44 103.07 105.67 1ifw h GLY 25 Ca 0.10 -0.55 0.05 0.00 0.00 0.00 0.00 47.33 46.93 1ifw h GLY 25 CO 0.01 0.53 0.13 0.83 0.00 0.00 0.00 176.54 178.04 1ifw h GLU 26 N 1.22 0.00 -0.32 4.80 4.39 0.06 0.22 114.58 124.95 1ifw h GLU 26 Ca 0.32 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.01 1ifw h GLU 26 Cb -0.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1ifw h GLU 26 CO -0.06 0.00 0.18 1.96 -1.16 0.00 0.00 179.01 179.93 1ifw h GLN 27 N 0.00 0.43 -0.43 2.33 1.08 -1.03 -1.73 115.11 115.76 1ifw h GLN 27 Ca 0.08 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.29 1ifw h GLN 27 Cb 0.34 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.63 1ifw h GLN 27 CO -0.00 0.32 0.16 1.25 -0.95 0.00 0.00 178.83 179.61 1ifw h LEU 28 N 0.44 0.18 0.05 1.46 5.85 -0.55 -0.29 115.31 122.45 1ifw h LEU 28 Ca 0.11 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ifw h LEU 28 Cb 0.01 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1ifw h LEU 28 CO -0.02 0.14 -0.02 0.22 -0.34 0.00 0.00 178.44 178.42 1ifw h TYR 29 N 0.34 -0.06 -0.51 1.25 3.20 -1.39 -3.18 116.97 116.61 1ifw h TYR 29 Ca 0.20 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.13 1ifw h TYR 29 Cb 0.18 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1ifw h TYR 29 CO -0.15 0.39 0.34 1.57 -1.64 0.00 0.00 178.16 178.67 1ifw h LYS 30 N -0.54 0.45 -0.19 1.82 2.10 -1.24 -0.47 116.57 118.50 1ifw h LYS 30 Ca -0.01 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1ifw h LYS 30 Cb 0.48 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.70 1ifw h LYS 30 CO 0.01 0.30 0.07 -0.22 -2.00 0.00 0.00 179.45 177.61 1ifw h LYS 31 N 0.46 0.27 0.01 0.07 3.64 -1.03 0.20 116.57 120.18 1ifw h LYS 31 Ca 0.22 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1ifw h LYS 31 Cb 0.28 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1ifw h LYS 31 CO -0.06 0.23 -0.18 0.28 -2.27 0.00 0.00 179.45 177.45 1ifw h VAL 32 N 0.27 1.70 0.00 2.00 2.07 -1.12 -3.28 116.25 117.89 1ifw h VAL 32 Ca 0.07 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1ifw h VAL 32 Cb 0.07 3.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1ifw h VAL 32 CO -0.01 0.59 0.00 -1.54 0.02 0.00 0.00 177.57 176.64 1ifw n SER 33 N -4.55 0.00 0.32 0.57 3.41 -0.68 -3.73 113.62 108.96 1ifw n SER 33 Ca -0.12 -1.35 0.21 0.00 -0.26 0.00 0.00 58.87 57.35 1ifw n SER 33 Cb 0.53 0.00 1.13 0.00 -0.26 0.00 0.00 64.21 65.61 1ifw n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ifw h ALA 34 N 2.75 1.03 -0.01 7.33 0.00 -0.67 -0.13 119.26 129.56 1ifw h ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ifw h ALA 34 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ifw h ALA 34 CO 0.00 -0.03 -0.49 1.63 0.00 0.00 0.00 179.25 180.36 1ifw n LYS 35 N -2.99 1.79 -3.62 0.00 5.02 -1.24 -5.01 118.16 112.10 1ifw n LYS 35 Ca -0.03 -0.49 -0.06 0.00 -2.02 0.00 0.00 58.31 55.72 1ifw n LYS 35 Cb 0.10 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.12 0.00 -0.16 -0.18 -1.32 -0.06 -5.02 115.64 106.78 1ifw s THR 36 Ca 0.10 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1ifw s THR 36 Cb 0.12 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.25 1ifw s THR 36 CO 0.49 0.00 1.79 -1.20 -2.21 0.00 0.00 174.62 173.49 1ifw n SER 37 N 1.13 5.16 -4.55 8.08 7.64 -1.26 -4.31 113.62 125.51 1ifw n SER 37 Ca -0.08 -2.67 -0.41 0.00 1.01 0.00 0.00 58.87 56.72 1ifw n SER 37 Cb 0.58 -0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 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 0.82 6.14 0.53 6.43 0.01 -1.26 -4.86 114.94 122.75 1ifw s ASN 38 Ca 0.16 -0.34 0.24 0.00 -0.71 0.00 0.00 52.86 52.21 1ifw s ASN 38 Cb 0.13 -2.56 1.45 0.00 0.41 0.00 0.00 41.25 40.68 1ifw s ASN 38 CO 0.01 -1.83 2.11 -0.08 -1.51 0.00 0.00 177.10 175.80 1ifw h GLU 39 N 10.27 0.00 0.00 -0.60 4.81 -1.99 -1.17 114.58 125.90 1ifw h GLU 39 Ca -0.28 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.85 1ifw h GLU 39 Cb 1.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1ifw h GLU 39 CO 1.27 0.09 -0.75 0.93 -0.73 0.00 0.00 179.01 179.81 1ifw h GLU 40 N 0.00 0.00 0.00 1.92 5.08 -1.96 -2.70 114.58 116.92 1ifw h GLU 40 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ifw h GLU 40 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ifw h GLU 40 CO 0.01 0.34 0.00 0.00 -1.00 0.00 0.00 179.01 178.36 1ifw n ALA 41 N -2.25 -0.08 0.18 3.43 0.00 -0.51 -2.95 120.51 118.34 1ifw n ALA 41 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1ifw n ALA 41 Cb 0.72 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.79 1ifw n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ifw h ALA 42 N -2.00 2.02 0.00 0.00 0.00 -1.59 0.83 119.26 118.52 1ifw h ALA 42 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ifw h ALA 42 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ifw h ALA 42 CO 0.00 -0.05 -0.19 0.78 0.00 0.00 0.00 179.25 179.79 1ifw h GLY 43 N 0.09 0.00 0.46 0.00 0.00 -1.63 0.46 103.07 102.46 1ifw h GLY 43 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1ifw h GLY 43 CO -0.01 0.00 -0.08 1.70 0.00 0.00 0.00 176.54 178.16 1ifw h LYS 44 N 0.00 -0.21 -0.51 4.80 3.11 -0.72 -2.80 116.57 120.24 1ifw h LYS 44 Ca -0.00 0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.74 1ifw h LYS 44 Cb 0.43 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.69 1ifw h LYS 44 CO 0.02 0.21 -0.13 0.82 -2.81 0.00 0.00 179.45 177.57 1ifw h ILE 45 N -0.76 1.27 -0.81 2.00 2.04 -1.33 -2.99 117.51 116.93 1ifw h ILE 45 Ca -0.02 -1.28 0.11 0.00 1.00 0.00 0.00 64.86 64.67 1ifw h ILE 45 Cb 0.52 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.53 1ifw h ILE 45 CO 0.04 0.45 0.43 0.74 0.00 0.00 0.00 178.15 179.81 1ifw h THR 46 N 0.87 0.84 0.00 -0.27 2.02 -0.14 0.19 112.91 116.42 1ifw h THR 46 Ca 0.13 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1ifw h THR 46 Cb 0.69 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1ifw h THR 46 CO 0.05 0.13 -0.09 1.23 0.37 0.00 0.00 175.52 177.21 1ifw h GLY 47 N 0.70 0.00 0.30 2.16 0.00 -1.34 0.39 103.07 105.27 1ifw h GLY 47 Ca 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 1ifw h GLY 47 CO -0.29 0.00 -0.08 -0.33 0.00 0.00 0.00 176.54 175.84 1ifw h MET 48 N 0.00 -0.21 0.00 4.80 2.07 -0.68 -3.08 114.93 117.84 1ifw h MET 48 Ca -0.00 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1ifw h MET 48 Cb 0.18 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 1ifw h MET 48 CO 0.01 0.20 0.00 -0.89 1.07 0.00 0.00 176.91 177.30 1ifw n ILE 49 N -4.91 0.49 0.99 -1.22 5.41 -0.43 -2.99 119.36 116.71 1ifw n ILE 49 Ca -0.07 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1ifw n ILE 49 Cb 0.25 -0.89 0.00 0.00 -0.71 0.00 0.00 39.64 38.29 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 0.09 0.13 1.39 -0.00 0.13 -2.74 117.00 114.76 1ifw n LEU 50 Ca 0.08 -0.04 0.08 0.00 -0.00 0.00 0.00 56.01 56.12 1ifw n LEU 50 Cb 0.10 -0.04 0.04 0.00 -0.00 0.00 0.00 43.42 43.52 1ifw n LEU 50 CO 0.11 0.02 0.26 0.44 -0.00 0.00 0.00 177.39 178.22 1ifw h ASP 51 N 0.07 0.00 -3.19 1.96 3.32 -1.75 -3.45 116.42 113.39 1ifw h ASP 51 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1ifw h ASP 51 Cb 0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1ifw h ASP 51 CO 0.00 0.18 0.63 -0.76 -1.72 0.00 0.00 179.24 177.57 1ifw s LEU 52 N -5.85 4.25 1.05 1.55 1.02 -1.11 -5.01 118.68 114.59 1ifw s LEU 52 Ca 0.02 1.63 -0.22 0.00 0.02 0.00 0.00 54.13 55.58 1ifw s LEU 52 Cb 0.08 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.70 1ifw s LEU 52 CO 0.75 -0.51 -0.63 -2.65 0.02 0.00 0.00 176.35 173.33 1ifw n PRO 53 N 5.14 -0.77 0.04 1.29 -0.02 -1.26 -4.25 135.00 135.17 1ifw n PRO 53 Ca 0.10 -0.21 -0.10 0.00 -2.02 0.00 0.00 63.50 61.26 1ifw n PRO 53 Cb 0.48 -1.39 -0.06 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 -1.54 -0.42 0.01 0.52 0.11 -1.95 0.31 132.00 129.03 1ifw h PRO 54 Ca -0.47 0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.47 1ifw h PRO 54 Cb 1.37 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.56 1ifw h PRO 54 CO 0.30 -0.28 -0.92 -0.56 -0.21 0.00 0.00 178.00 176.33 1ifw h GLN 55 N -0.44 0.19 0.00 1.05 3.07 -1.90 -3.18 115.11 113.91 1ifw h GLN 55 Ca 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 58.65 58.51 1ifw h GLN 55 Cb 0.47 0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.09 1ifw h GLN 55 CO -0.22 0.98 -0.06 1.49 0.09 0.00 0.00 178.83 181.11 1ifw h GLU 56 N 0.10 0.00 0.00 0.06 4.22 -1.84 -2.50 114.58 114.61 1ifw h GLU 56 Ca -0.05 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 59.16 1ifw h GLU 56 Cb 1.56 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.78 1ifw h GLU 56 CO 0.14 0.06 -1.22 -0.24 -2.18 0.00 0.00 179.01 175.57 1ifw h VAL 57 N 0.00 1.40 -0.82 0.32 3.04 -0.37 -3.36 116.25 116.47 1ifw h VAL 57 Ca -0.00 -3.15 0.15 0.00 -1.01 0.00 0.00 66.70 62.69 1ifw h VAL 57 Cb 0.38 2.69 -0.15 0.00 -2.01 0.00 0.00 31.29 32.21 1ifw h VAL 57 CO 0.01 0.80 -0.29 -0.26 -1.01 0.00 0.00 177.57 176.82 1ifw h PHE 58 N 0.00 -0.74 -0.71 3.17 -1.00 -1.47 0.19 116.94 116.37 1ifw h PHE 58 Ca -0.10 0.08 0.04 0.00 2.81 0.00 0.00 57.97 60.80 1ifw h PHE 58 Cb 1.84 0.45 -0.04 0.00 3.61 0.00 0.00 35.95 41.81 1ifw h PHE 58 CO 0.00 -0.38 0.47 -1.35 -1.61 0.00 0.00 178.31 175.44 1ifw h PRO 59 N -0.04 0.82 0.02 1.51 0.11 -1.72 -1.97 132.00 130.73 1ifw h PRO 59 Ca 0.34 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.35 1ifw h PRO 59 Cb 0.60 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.53 1ifw h PRO 59 CO -0.85 0.54 -0.21 1.25 -0.21 0.00 0.00 178.00 178.52 1ifw h LEU 60 N 0.84 0.15 -0.82 2.35 6.46 -1.12 -2.89 115.31 120.29 1ifw h LEU 60 Ca 0.28 -0.88 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1ifw h LEU 60 Cb 0.08 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1ifw h LEU 60 CO -0.08 1.01 0.00 0.00 -0.62 0.00 0.00 178.44 178.75 1ifw n LEU 61 N -4.51 0.40 -0.00 2.25 -0.00 0.43 -1.51 117.00 114.05 1ifw n LEU 61 Ca -0.10 0.66 0.08 0.00 -0.00 0.00 0.00 56.01 56.65 1ifw n LEU 61 Cb 0.53 -0.67 -0.11 0.00 -0.00 0.00 0.00 43.42 43.16 1ifw n LEU 61 CO 0.38 -0.70 -0.22 -1.84 -0.00 0.00 0.00 177.39 175.00 1ifw n GLU 62 N -2.01 1.16 -3.79 1.47 0.28 -0.75 -4.55 120.64 112.44 1ifw n GLU 62 Ca 0.00 -0.04 -0.36 0.00 -0.16 0.00 0.00 57.16 56.59 1ifw n GLU 62 Cb 0.08 -1.33 -0.11 0.00 1.43 0.00 0.00 31.44 31.51 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 -2.99 5.53 0.09 -1.84 0.01 -0.57 -5.00 113.70 108.93 1ifw s SER 63 Ca 0.03 -0.06 -0.23 0.00 1.31 0.00 0.00 55.95 57.00 1ifw s SER 63 Cb 0.12 -1.99 -0.15 0.00 0.21 0.00 0.00 66.02 64.22 1ifw s SER 63 CO 0.70 0.03 1.72 -2.24 0.41 0.00 0.00 173.24 173.87 1ifw h ASP 64 N 7.78 0.01 0.03 2.44 2.03 -1.91 0.17 116.42 126.96 1ifw h ASP 64 Ca -0.37 -0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1ifw h ASP 64 Cb 1.18 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1ifw h ASP 64 CO 0.61 0.02 -0.02 1.05 -1.03 0.00 0.00 179.24 179.88 1ifw h GLU 65 N -0.01 -0.04 -0.18 4.15 4.11 -1.94 0.84 114.58 121.51 1ifw h GLU 65 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.49 1ifw h GLU 65 Cb 0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ifw h GLU 65 CO -0.00 0.07 0.14 1.25 0.07 0.00 0.00 179.01 180.55 1ifw h LEU 66 N -0.15 0.00 0.09 3.06 7.12 -1.83 -2.49 115.31 121.11 1ifw h LEU 66 Ca -0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 1ifw h LEU 66 Cb 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.27 1ifw h LEU 66 CO 0.01 0.00 -0.04 0.15 -0.13 0.00 0.00 178.44 178.43 1ifw h PHE 67 N 0.00 -0.11 -0.86 1.25 3.57 -0.23 -3.19 116.94 117.38 1ifw h PHE 67 Ca 0.08 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.77 1ifw h PHE 67 Cb 0.37 0.04 -0.16 0.00 2.79 0.00 0.00 35.95 38.99 1ifw h PHE 67 CO 0.00 0.39 -0.13 0.93 -2.23 0.00 0.00 178.31 177.27 1ifw h GLU 68 N -0.92 0.02 0.70 1.11 5.08 -0.42 1.47 114.58 121.62 1ifw h GLU 68 Ca -0.01 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1ifw h GLU 68 Cb 0.55 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ifw h GLU 68 CO 0.02 0.02 -0.43 1.96 -1.00 0.00 0.00 179.01 179.57 1ifw h GLN 69 N 0.02 -1.02 0.03 2.33 4.20 -1.61 1.10 115.11 120.16 1ifw h GLN 69 Ca 0.44 0.07 -0.00 0.00 0.06 0.00 0.00 58.65 59.22 1ifw h GLN 69 Cb 0.75 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1ifw h GLN 69 CO -0.84 -0.68 -0.01 0.45 -0.67 0.00 0.00 178.83 177.08 1ifw h HIS 70 N -1.06 -0.03 0.00 2.96 3.86 -1.31 -1.39 115.15 118.17 1ifw h HIS 70 Ca -0.09 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1ifw h HIS 70 Cb 0.85 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1ifw h HIS 70 CO -0.08 0.09 0.00 0.98 0.86 0.00 0.00 177.93 179.79 1ifw n TYR 71 N -5.05 0.31 0.14 2.45 9.36 0.49 -3.34 117.16 121.52 1ifw n TYR 71 Ca -0.08 0.14 -0.06 0.00 3.32 0.00 0.00 57.90 61.22 1ifw n TYR 71 Cb 0.09 -0.72 -0.03 0.00 -0.63 0.00 0.00 39.34 38.06 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 -0.35 -1.00 2.98 3.11 0.24 0.87 116.57 122.42 1ifw h LYS 72 Ca 0.00 0.02 0.18 0.00 -2.81 0.00 0.00 60.65 58.04 1ifw h LYS 72 Cb 0.17 0.08 -0.10 0.00 -1.00 0.00 0.00 32.23 31.38 1ifw h LYS 72 CO 0.00 -0.23 0.61 1.49 -2.81 0.00 0.00 179.45 178.51 1ifw h GLU 73 N -0.43 0.78 0.00 1.90 4.22 -1.58 0.58 114.58 120.04 1ifw h GLU 73 Ca -0.04 -0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.24 1ifw h GLU 73 Cb 0.28 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1ifw h GLU 73 CO 0.06 0.52 -0.53 0.00 -2.18 0.00 0.00 179.01 176.88 1ifw h ALA 74 N 1.63 1.07 0.33 2.92 0.00 -1.56 -3.18 119.26 120.46 1ifw h ALA 74 Ca 0.56 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ifw h ALA 74 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ifw h ALA 74 CO -0.36 0.66 -0.22 1.03 0.00 0.00 0.00 179.25 180.37 1ifw h SER 75 N 0.00 -0.54 -1.06 0.00 0.87 0.63 -0.93 113.55 112.52 1ifw h SER 75 Ca -0.01 0.04 0.29 0.00 -1.23 0.00 0.00 61.79 60.88 1ifw h SER 75 Cb 0.97 0.17 -0.11 0.00 -0.44 0.00 0.00 62.40 62.98 1ifw h SER 75 CO 0.07 -0.34 0.66 0.00 -0.53 0.00 0.00 176.83 176.69 1ifw h ALA 76 N 0.10 2.16 0.00 6.23 0.00 -1.41 1.71 119.26 128.05 1ifw h ALA 76 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ifw h ALA 76 Cb 0.45 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ifw h ALA 76 CO 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 178.64 1ifw h ALA 77 N 1.67 1.00 -0.01 0.00 0.00 -1.38 -3.24 119.26 117.31 1ifw h ALA 77 Ca 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.56 1ifw h ALA 77 Cb 1.60 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1ifw h ALA 77 CO -0.39 0.00 0.00 -0.92 0.00 0.00 0.00 179.25 177.94 1ifw h TYR 78 N 0.00 0.01 -0.21 0.00 5.03 0.39 -0.93 116.97 121.26 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 0.67 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 1ifw h TYR 78 CO 0.00 0.16 0.02 0.93 -1.32 0.00 0.00 178.16 177.95 1ifw h GLU 79 N -0.14 0.36 -0.08 1.82 5.08 -1.56 0.11 114.58 120.18 1ifw h GLU 79 Ca 0.00 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1ifw h GLU 79 Cb 0.16 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1ifw h GLU 79 CO -0.00 0.53 -0.02 0.77 -1.00 0.00 0.00 179.01 179.28 1ifw h SER 80 N 0.15 -0.08 -0.41 1.42 0.02 -1.57 0.94 113.55 114.00 1ifw h SER 80 Ca 0.06 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1ifw h SER 80 Cb 0.35 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1ifw h SER 80 CO 0.01 -0.03 -0.02 -0.26 -1.14 0.00 0.00 176.83 175.38 1ifw h PHE 81 N -0.01 0.82 -0.36 3.45 -1.00 -1.16 0.21 116.94 118.89 1ifw h PHE 81 Ca 0.04 -0.15 -0.13 0.00 2.81 0.00 0.00 57.97 60.54 1ifw h PHE 81 Cb 0.06 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 1ifw h PHE 81 CO -0.14 0.83 -0.29 0.87 -1.61 0.00 0.00 178.31 177.98 1ifw h LYS 82 N 0.58 0.84 -0.00 1.51 1.79 -0.77 -2.76 116.57 117.74 1ifw h LYS 82 Ca 0.11 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1ifw h LYS 82 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1ifw h LYS 82 CO 0.03 1.05 -0.03 1.63 -1.08 0.00 0.00 179.45 181.04 1ifw n LYS 83 N -4.18 0.88 0.00 3.15 5.02 0.32 -3.83 118.16 119.52 1ifw n LYS 83 Ca -0.02 -0.19 -0.12 0.00 -2.02 0.00 0.00 58.31 55.96 1ifw n LYS 83 Cb 0.48 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 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 0.46 0.06 -1.05 1.97 4.57 -0.27 -2.96 114.58 117.37 1ifw h GLU 84 Ca 0.00 -0.01 -0.38 0.00 -1.18 0.00 0.00 59.36 57.79 1ifw h GLU 84 Cb 0.22 -0.01 -0.21 0.00 -0.16 0.00 0.00 28.75 28.59 1ifw h GLU 84 CO 0.00 0.25 0.48 0.00 -1.18 0.00 0.00 179.01 178.57 1ifw n GLN 85 N -4.95 1.92 -0.60 1.92 0.00 -1.25 -4.38 117.38 110.03 1ifw n GLN 85 Ca -0.07 -2.13 0.00 0.00 0.00 0.00 0.00 57.00 54.81 1ifw n GLN 85 Cb 0.13 -1.83 0.22 0.00 0.00 0.00 0.00 30.24 28.76 1ifw n GLN 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1ifw n GLU 86 N -0.58 3.08 -0.12 2.61 -0.58 -1.12 -4.00 120.64 119.93 1ifw n GLU 86 Ca 0.42 -1.94 -0.16 0.00 -0.42 0.00 0.00 57.16 55.06 1ifw n GLU 86 Cb 1.21 -1.93 -0.13 0.00 -0.57 0.00 0.00 31.44 30.03 1ifw n GLU 86 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1ifw n GLN 87 N 0.19 0.66 -3.38 3.49 0.00 -1.26 -4.87 117.38 112.21 1ifw n GLN 87 Ca 0.22 0.12 -0.41 0.00 -0.00 0.00 0.00 57.00 56.93 1ifw n GLN 87 Cb 0.93 -1.53 -0.09 0.00 0.00 0.00 0.00 30.24 29.55 1ifw n GLN 87 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1ifw s GLN 88 N -2.52 3.59 -0.72 3.69 -0.21 -1.26 -5.02 119.66 117.22 1ifw s GLN 88 Ca -0.28 -0.36 -0.10 0.00 0.02 0.00 0.00 55.36 54.64 1ifw s GLN 88 Cb 0.08 -3.80 0.19 0.00 1.00 0.00 0.00 33.01 30.48 1ifw s GLN 88 CO 0.66 -0.53 0.61 0.99 -2.12 0.00 0.00 175.29 174.90 1ifw s THR 89 N 2.07 4.80 0.58 -0.19 2.01 -1.26 -5.06 115.64 118.59 1ifw s THR 89 Ca 0.13 -2.58 -0.19 0.00 0.31 0.00 0.00 61.69 59.35 1ifw s THR 89 Cb -0.16 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1ifw s THR 89 CO 0.12 -0.95 1.21 -1.61 -0.69 0.00 0.00 174.62 172.69 1ifw s GLU 90 N 0.19 3.07 0.21 4.92 8.01 -1.26 -5.03 118.70 128.82 1ifw s GLU 90 Ca 0.16 1.83 -0.03 0.00 0.01 0.00 0.00 54.97 56.95 1ifw s GLU 90 Cb -0.16 -1.99 -0.05 0.00 -4.31 0.00 0.00 34.13 27.63 1ifw s GLU 90 CO -0.06 -1.13 0.43 -1.14 0.01 0.00 0.00 175.26 173.37 1ifw s GLN 91 N -3.25 3.57 0.00 1.61 0.74 -1.26 -5.29 119.66 115.77 1ifw s GLN 91 Ca 0.76 -0.20 0.24 0.00 0.05 0.00 0.00 55.36 56.21 1ifw s GLN 91 Cb -0.30 -2.79 0.27 0.00 1.10 0.00 0.00 33.01 31.29 1ifw s GLN 91 CO 0.33 0.37 1.31 0.00 -0.55 0.00 0.00 175.29 176.75