#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 0.53 -6.09 1.61 0.11 -2.12 -3.39 132.00 122.65 1ifw h PRO 2 Ca 0.00 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.49 1ifw h PRO 2 Cb 0.00 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 30.91 1ifw h PRO 2 CO 0.00 0.35 0.67 -0.51 -0.21 0.00 0.00 178.00 178.30 1ifw s LEU 3 N -10.35 4.00 -1.07 2.35 1.43 -1.26 -4.98 118.68 108.81 1ifw s LEU 3 Ca -0.13 0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 53.69 1ifw s LEU 3 Cb 0.18 -3.36 0.08 0.00 0.03 0.00 0.00 46.19 43.12 1ifw s LEU 3 CO 0.76 -0.77 1.43 -0.83 0.23 0.00 0.00 176.35 177.17 1ifw s GLY 4 N 1.62 1.60 -0.60 -3.19 0.00 -1.26 -4.95 107.32 100.55 1ifw s GLY 4 Ca 0.40 -2.62 -0.12 0.00 0.00 0.00 0.00 44.72 42.39 1ifw s GLY 4 CO 0.14 2.48 0.51 -0.45 0.00 0.00 0.00 173.10 175.78 1ifw s SER 5 N 4.31 6.09 0.17 1.64 0.15 -1.26 -4.96 113.70 119.84 1ifw s SER 5 Ca 0.44 -2.15 -0.20 0.00 0.70 0.00 0.00 55.95 54.74 1ifw s SER 5 Cb -0.01 -2.11 0.09 0.00 -1.71 0.00 0.00 66.02 62.28 1ifw s SER 5 CO -0.05 -0.69 1.62 -0.65 1.20 0.00 0.00 173.24 174.67 1ifw h PRO 6 N 8.30 -0.16 -5.78 5.44 0.11 -2.05 -3.36 132.00 134.51 1ifw h PRO 6 Ca -0.14 0.01 -0.62 0.00 0.11 0.00 0.00 66.00 65.36 1ifw h PRO 6 Cb 1.06 0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.09 1ifw h PRO 6 CO 0.88 -0.10 0.36 1.03 -0.21 0.00 0.00 178.00 179.96 1ifw s ARG 7 N -6.11 3.62 0.67 1.05 1.81 -1.26 -5.04 118.95 113.69 1ifw s ARG 7 Ca -0.14 0.15 -0.11 0.00 -1.72 0.00 0.00 55.73 53.91 1ifw s ARG 7 Cb 0.14 -3.86 -0.01 0.00 -0.45 0.00 0.00 34.95 30.78 1ifw s ARG 7 CO 0.69 -0.95 1.06 -0.80 -0.68 0.00 0.00 175.30 174.63 1ifw s ASN 8 N 1.95 5.70 0.43 0.23 0.01 -1.26 -5.04 114.94 116.95 1ifw s ASN 8 Ca 0.31 1.40 -0.18 0.00 -0.71 0.00 0.00 52.86 53.67 1ifw s ASN 8 Cb -0.13 -2.32 -0.10 0.00 0.41 0.00 0.00 41.25 39.11 1ifw s ASN 8 CO 0.19 -1.21 0.91 0.00 -1.51 0.00 0.00 177.10 175.48 1ifw s ALA 9 N -3.18 3.11 0.27 0.60 0.00 -1.26 -5.07 121.76 116.23 1ifw s ALA 9 Ca 0.57 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.76 1ifw s ALA 9 Cb -0.12 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1ifw s ALA 9 CO 0.54 0.08 0.50 1.21 0.00 0.00 0.00 175.76 178.08 1ifw s ASN 10 N -2.44 6.39 -1.00 0.00 2.47 -1.26 -5.03 114.94 114.07 1ifw s ASN 10 Ca 0.59 0.55 -0.17 0.00 0.42 0.00 0.00 52.86 54.25 1ifw s ASN 10 Cb -0.09 -2.07 0.15 0.00 -1.45 0.00 0.00 41.25 37.78 1ifw s ASN 10 CO 0.19 -0.17 1.18 -1.81 -3.72 0.00 0.00 177.10 172.78 1ifw s ASP 11 N -3.36 6.76 1.04 -4.21 1.01 -1.26 -5.02 116.67 111.63 1ifw s ASP 11 Ca 0.41 -2.36 -0.16 0.00 0.71 0.00 0.00 52.55 51.15 1ifw s ASP 11 Cb -0.11 -2.38 0.22 0.00 1.01 0.00 0.00 42.92 41.66 1ifw s ASP 11 CO 0.31 -0.94 1.21 0.20 0.21 0.00 0.00 175.17 176.16 1ifw s ASN 12 N 3.30 2.40 -0.08 0.27 0.01 -1.26 -5.01 114.94 114.56 1ifw s ASN 12 Ca 0.34 0.54 0.13 0.00 -0.71 0.00 0.00 52.86 53.16 1ifw s ASN 12 Cb -0.05 -0.76 0.24 0.00 0.41 0.00 0.00 41.25 41.09 1ifw s ASN 12 CO -0.07 -3.20 1.12 -3.20 -1.51 0.00 0.00 177.10 170.24 1ifw n ASN 13 N -4.13 1.32 -4.25 -1.22 5.15 -1.26 -4.96 115.26 105.91 1ifw n ASN 13 Ca 0.13 -2.73 -0.42 0.00 -0.60 0.00 0.00 54.58 50.95 1ifw n ASN 13 Cb 0.59 -0.36 -0.00 0.00 -0.53 0.00 0.00 39.78 39.49 1ifw n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ifw n GLN 14 N -0.66 2.99 0.12 1.20 10.64 -1.26 -4.63 117.38 125.77 1ifw n GLN 14 Ca 0.10 -2.98 0.12 0.00 -1.83 0.00 0.00 57.00 52.41 1ifw n GLN 14 Cb 0.74 -3.42 0.17 0.00 -0.86 0.00 0.00 30.24 26.87 1ifw n GLN 14 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 1ifw h PHE 15 N 7.07 0.00 0.00 2.61 -1.00 -2.05 -3.27 116.94 120.31 1ifw h PHE 15 Ca 0.49 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.27 1ifw h PHE 15 Cb 0.78 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.34 1ifw h PHE 15 CO 1.43 0.00 -0.82 2.48 -1.61 0.00 0.00 178.31 179.79 1ifw n TYR 16 N -2.55 0.29 -0.14 -0.55 4.11 -1.26 -4.12 117.16 112.94 1ifw n TYR 16 Ca 0.03 0.08 -0.07 0.00 -0.00 0.00 0.00 57.90 57.95 1ifw n TYR 16 Cb 0.49 -0.45 0.03 0.00 -0.00 0.00 0.00 39.34 39.41 1ifw n TYR 16 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1ifw n GLN 17 N -1.90 1.34 -0.05 -3.48 6.02 -1.23 -4.20 117.38 113.88 1ifw n GLN 17 Ca 0.03 -0.72 -0.13 0.00 -0.01 0.00 0.00 57.00 56.17 1ifw n GLN 17 Cb 0.41 -1.28 -0.00 0.00 1.02 0.00 0.00 30.24 30.39 1ifw n GLN 17 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 1ifw h GLN 18 N 0.76 0.76 0.00 -1.09 3.07 -1.81 -2.83 115.11 113.97 1ifw h GLN 18 Ca 0.14 -0.48 0.00 0.00 0.09 0.00 0.00 58.65 58.40 1ifw h GLN 18 Cb 1.18 0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.80 1ifw h GLN 18 CO 0.31 1.11 0.00 0.87 0.09 0.00 0.00 178.83 181.21 1ifw h LYS 19 N 0.58 0.00 -0.56 0.06 1.79 -1.94 -2.91 116.57 113.59 1ifw h LYS 19 Ca 0.01 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 1ifw h LYS 19 Cb 1.14 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 1ifw h LYS 19 CO 0.12 0.00 0.02 1.96 -1.08 0.00 0.00 179.45 180.46 1ifw h GLN 20 N 0.00 0.95 0.05 3.15 4.20 -1.80 -0.66 115.11 120.99 1ifw h GLN 20 Ca 0.00 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 1ifw h GLN 20 Cb 0.50 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1ifw h GLN 20 CO 0.00 0.93 -0.02 0.00 -0.67 0.00 0.00 178.83 179.07 1ifw h ARG 21 N 0.88 -0.06 0.00 1.46 3.08 -1.59 -2.79 114.38 115.36 1ifw h ARG 21 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ifw h ARG 21 Cb 0.49 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1ifw h ARG 21 CO 0.02 0.32 0.00 0.94 -1.07 0.00 0.00 179.97 180.18 1ifw n GLN 22 N -4.93 0.19 0.02 0.04 -0.06 -1.19 -2.26 117.38 109.19 1ifw n GLN 22 Ca -0.08 0.14 -0.01 0.00 -2.00 0.00 0.00 57.00 55.05 1ifw n GLN 22 Cb 0.21 -1.50 -0.01 0.00 -4.06 0.00 0.00 30.24 24.89 1ifw n GLN 22 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ifw h ALA 23 N 2.75 -0.27 -0.23 1.69 0.00 -0.83 -2.53 119.26 119.84 1ifw h ALA 23 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1ifw h ALA 23 Cb 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ifw h ALA 23 CO 0.00 -0.27 -0.12 -0.07 0.00 0.00 0.00 179.25 178.79 1ifw h LEU 24 N -0.24 0.36 -1.33 0.00 -0.00 -1.62 -2.17 115.31 110.31 1ifw h LEU 24 Ca -0.01 -0.08 0.02 0.00 -0.00 0.00 0.00 57.88 57.81 1ifw h LEU 24 Cb 0.06 -0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 40.59 1ifw h LEU 24 CO 0.01 0.51 0.47 1.23 -0.00 0.00 0.00 178.44 180.66 1ifw h GLY 25 N 0.85 0.99 1.99 0.83 0.00 -1.58 0.52 103.07 106.67 1ifw h GLY 25 Ca 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1ifw h GLY 25 CO 0.02 0.32 -0.04 0.83 0.00 0.00 0.00 176.54 177.68 1ifw h GLU 26 N 0.90 0.01 -0.23 4.80 4.39 -0.93 -0.73 114.58 122.80 1ifw h GLU 26 Ca 0.27 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 1ifw h GLU 26 Cb -0.02 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1ifw h GLU 26 CO -0.07 0.05 0.09 1.96 -1.16 0.00 0.00 179.01 179.88 1ifw h GLN 27 N 0.01 0.31 0.27 2.33 4.20 -0.88 -2.00 115.11 119.36 1ifw h GLN 27 Ca 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1ifw h GLN 27 Cb 0.08 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1ifw h GLN 27 CO 0.01 0.27 -0.21 1.25 -0.67 0.00 0.00 178.83 179.48 1ifw h LEU 28 N 0.32 -0.53 -0.09 1.46 5.85 -1.12 0.35 115.31 121.54 1ifw h LEU 28 Ca 0.08 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1ifw h LEU 28 Cb 0.08 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1ifw h LEU 28 CO -0.01 -0.32 0.04 0.22 -0.34 0.00 0.00 178.44 178.04 1ifw h TYR 29 N -0.48 0.13 -0.12 1.25 3.20 -1.53 -2.83 116.97 116.60 1ifw h TYR 29 Ca -0.02 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1ifw h TYR 29 Cb 0.42 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1ifw h TYR 29 CO -0.12 0.22 0.00 1.57 -1.64 0.00 0.00 178.16 178.19 1ifw h LYS 30 N 0.01 0.17 -0.08 1.82 2.10 -1.31 -0.95 116.57 118.33 1ifw h LYS 30 Ca 0.03 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1ifw h LYS 30 Cb 0.14 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 1ifw h LYS 30 CO -0.00 0.19 0.00 -0.22 -2.00 0.00 0.00 179.45 177.42 1ifw h LYS 31 N 0.17 0.11 0.13 0.07 3.64 -0.66 0.24 116.57 120.27 1ifw h LYS 31 Ca 0.04 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.22 1ifw h LYS 31 Cb 0.12 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1ifw h LYS 31 CO 0.00 0.12 -0.91 0.28 -2.27 0.00 0.00 179.45 176.68 1ifw h VAL 32 N 0.11 1.42 0.00 2.00 2.07 -1.17 -3.24 116.25 117.44 1ifw h VAL 32 Ca 0.03 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1ifw h VAL 32 Cb 0.07 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1ifw h VAL 32 CO 0.00 0.70 0.00 -1.54 0.02 0.00 0.00 177.57 176.75 1ifw n SER 33 N -4.11 0.00 0.10 0.57 3.41 -0.63 -3.61 113.62 109.34 1ifw n SER 33 Ca -0.16 -1.20 0.06 0.00 -0.26 0.00 0.00 58.87 57.31 1ifw n SER 33 Cb 0.82 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 65.09 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 -0.68 0.96 0.34 7.33 0.00 0.78 -0.59 120.51 128.66 1ifw n ALA 34 Ca 0.06 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.68 1ifw n ALA 34 Cb 0.03 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.91 1.62 -3.61 0.00 5.02 -1.24 -5.05 118.16 112.99 1ifw n LYS 35 Ca -0.01 -0.06 -0.04 0.00 -2.02 0.00 0.00 58.31 56.18 1ifw n LYS 35 Cb 0.06 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 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 -2.57 0.00 -0.17 -0.18 -1.32 0.24 -5.02 115.64 106.63 1ifw s THR 36 Ca 0.01 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1ifw s THR 36 Cb 0.09 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.23 1ifw s THR 36 CO 0.56 0.00 1.78 -1.20 -2.21 0.00 0.00 174.62 173.54 1ifw n SER 37 N 0.23 5.14 -4.55 8.08 7.64 -1.26 -4.38 113.62 124.52 1ifw n SER 37 Ca -0.01 -2.69 -0.41 0.00 1.01 0.00 0.00 58.87 56.77 1ifw n SER 37 Cb 0.58 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 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 0.74 6.09 0.54 6.43 0.01 -1.26 -4.85 114.94 122.65 1ifw s ASN 38 Ca 0.18 -0.35 0.29 0.00 -0.71 0.00 0.00 52.86 52.27 1ifw s ASN 38 Cb 0.14 -2.56 1.56 0.00 0.41 0.00 0.00 41.25 40.81 1ifw s ASN 38 CO 0.01 -1.87 2.11 -0.33 -1.51 0.00 0.00 177.10 175.51 1ifw h GLU 39 N 10.47 0.00 0.00 -0.60 5.08 -1.98 -1.16 114.58 126.38 1ifw h GLU 39 Ca -0.28 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.90 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 -1.08 0.93 -1.00 0.00 0.00 179.01 179.22 1ifw h GLU 40 N 0.00 0.00 0.02 2.33 3.07 -1.96 -2.54 114.58 115.50 1ifw h GLU 40 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ifw h GLU 40 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1ifw h GLU 40 CO 0.01 0.56 -0.01 0.00 -1.40 0.00 0.00 179.01 178.18 1ifw h ALA 41 N 1.28 -0.09 -0.06 3.43 0.00 -1.72 -3.01 119.26 119.08 1ifw h ALA 41 Ca -0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ifw h ALA 41 Cb 1.64 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1ifw h ALA 41 CO 0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 179.25 179.18 1ifw h ALA 42 N -1.82 1.79 0.00 0.00 0.00 -1.46 -0.20 119.26 117.57 1ifw h ALA 42 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1ifw h ALA 42 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ifw h ALA 42 CO 0.00 0.16 -0.18 0.78 0.00 0.00 0.00 179.25 180.02 1ifw h GLY 43 N 0.36 0.00 0.43 0.00 0.00 -1.59 0.13 103.07 102.39 1ifw h GLY 43 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1ifw h GLY 43 CO 0.01 0.00 -0.14 1.70 0.00 0.00 0.00 176.54 178.11 1ifw h LYS 44 N 0.00 -0.38 -0.54 4.80 1.63 -0.89 -2.96 116.57 118.24 1ifw h LYS 44 Ca -0.00 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 1ifw h LYS 44 Cb 0.52 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1ifw h LYS 44 CO 0.02 -0.06 0.06 0.82 -3.45 0.00 0.00 179.45 176.84 1ifw h ILE 45 N -0.97 1.24 -1.01 2.00 2.04 -1.44 -2.70 117.51 116.68 1ifw h ILE 45 Ca -0.04 -0.96 0.10 0.00 1.00 0.00 0.00 64.86 64.96 1ifw h ILE 45 Cb 0.49 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 1ifw h ILE 45 CO 0.07 0.35 0.64 0.74 0.00 0.00 0.00 178.15 179.95 1ifw h THR 46 N 0.82 0.99 -0.34 -0.27 2.02 -0.82 0.21 112.91 115.52 1ifw h THR 46 Ca 0.17 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1ifw h THR 46 Cb 0.40 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1ifw h THR 46 CO 0.01 0.20 0.08 1.23 0.37 0.00 0.00 175.52 177.41 1ifw h GLY 47 N 1.08 0.54 0.40 2.16 0.00 -1.30 0.15 103.07 106.09 1ifw h GLY 47 Ca 0.47 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 1ifw h GLY 47 CO -0.23 0.26 -0.03 -0.33 0.00 0.00 0.00 176.54 176.21 1ifw h MET 48 N 0.49 -0.09 0.00 4.80 2.07 -1.01 -2.86 114.93 118.32 1ifw h MET 48 Ca 0.12 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 1ifw h MET 48 Cb 0.20 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 1ifw h MET 48 CO -0.00 0.43 0.00 -0.89 1.07 0.00 0.00 176.91 177.52 1ifw n ILE 49 N -4.86 0.00 1.54 -1.22 5.41 -0.32 -3.17 119.36 116.74 1ifw n ILE 49 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1ifw n ILE 49 Cb 0.29 -0.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 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 -0.74 0.25 0.08 1.39 -0.00 0.51 -3.20 117.00 115.29 1ifw n LEU 50 Ca 0.08 -0.13 -0.01 0.00 -0.00 0.00 0.00 56.01 55.95 1ifw n LEU 50 Cb 0.04 -0.13 -0.05 0.00 -0.00 0.00 0.00 43.42 43.28 1ifw n LEU 50 CO 0.06 0.06 0.10 0.44 -0.00 0.00 0.00 177.39 178.05 1ifw h ASP 51 N 0.03 0.00 -2.96 1.96 3.32 -1.76 -3.44 116.42 113.56 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 0.13 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1ifw h ASP 51 CO 0.00 0.66 0.82 -0.76 -1.72 0.00 0.00 179.24 178.24 1ifw s LEU 52 N -6.27 4.25 1.10 1.55 2.01 -1.19 -4.99 118.68 115.13 1ifw s LEU 52 Ca 0.01 1.83 -0.20 0.00 0.01 0.00 0.00 54.13 55.78 1ifw s LEU 52 Cb 0.08 -3.55 0.05 0.00 0.01 0.00 0.00 46.19 42.78 1ifw s LEU 52 CO 0.79 -0.69 -0.28 -2.65 1.01 0.00 0.00 176.35 174.53 1ifw n PRO 53 N 5.88 -1.29 0.03 1.29 -0.02 -1.26 -4.40 135.00 135.23 1ifw n PRO 53 Ca 0.13 -0.36 -0.05 0.00 -2.02 0.00 0.00 63.50 61.19 1ifw n PRO 53 Cb 0.45 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.87 -0.23 0.05 0.52 0.11 -1.94 0.15 132.00 128.80 1ifw h PRO 54 Ca -0.51 0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.36 1ifw h PRO 54 Cb 1.37 0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.54 1ifw h PRO 54 CO 0.35 -0.15 -1.09 1.96 -0.21 0.00 0.00 178.00 178.86 1ifw h GLN 55 N -0.24 0.50 0.00 1.05 4.20 -1.91 -3.22 115.11 115.50 1ifw h GLN 55 Ca -0.00 -0.61 0.00 0.00 0.06 0.00 0.00 58.65 58.10 1ifw h GLN 55 Cb 0.24 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ifw h GLN 55 CO -0.10 1.24 0.00 0.93 -0.67 0.00 0.00 178.83 180.23 1ifw h GLU 56 N 0.25 0.00 0.00 1.46 5.08 -1.89 -1.67 114.58 117.80 1ifw h GLU 56 Ca -0.13 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.98 1ifw h GLU 56 Cb 1.75 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.96 1ifw h GLU 56 CO 0.20 0.00 -1.45 -0.24 -1.00 0.00 0.00 179.01 176.51 1ifw h VAL 57 N 0.00 1.10 -0.90 3.13 3.04 -0.71 -3.38 116.25 118.53 1ifw h VAL 57 Ca 0.00 -2.88 0.14 0.00 -1.01 0.00 0.00 66.70 62.95 1ifw h VAL 57 Cb 0.10 2.53 -0.15 0.00 -2.01 0.00 0.00 31.29 31.77 1ifw h VAL 57 CO 0.00 0.62 -0.35 0.49 -1.01 0.00 0.00 177.57 177.32 1ifw n PHE 58 N -3.13 0.03 0.27 3.17 3.01 -0.63 0.10 117.46 120.28 1ifw n PHE 58 Ca -0.11 1.11 0.12 0.00 1.01 0.00 0.00 57.45 59.58 1ifw n PHE 58 Cb 1.00 -0.84 0.76 0.00 -0.01 0.00 0.00 39.48 40.39 1ifw n PHE 58 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ifw h PRO 59 N 0.00 0.00 0.00 -1.08 0.13 -1.74 -2.42 132.00 126.89 1ifw h PRO 59 Ca 0.31 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.37 1ifw h PRO 59 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1ifw h PRO 59 CO -0.89 0.07 -0.44 1.25 -0.23 0.00 0.00 178.00 177.76 1ifw h LEU 60 N 0.00 0.00 0.00 1.56 6.46 0.48 -3.25 115.31 120.56 1ifw h LEU 60 Ca -0.00 -0.63 0.00 0.00 -0.12 0.00 0.00 57.88 57.13 1ifw h LEU 60 Cb 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1ifw h LEU 60 CO 0.01 1.07 0.00 0.00 -0.62 0.00 0.00 178.44 178.90 1ifw n LEU 61 N -4.58 0.00 -0.16 2.25 -0.00 0.87 -1.38 117.00 114.00 1ifw n LEU 61 Ca -0.15 0.38 0.07 0.00 -0.00 0.00 0.00 56.01 56.30 1ifw n LEU 61 Cb 0.46 -0.38 -0.04 0.00 -0.00 0.00 0.00 43.42 43.47 1ifw n LEU 61 CO 0.23 -0.32 0.10 -1.84 -0.00 0.00 0.00 177.39 175.57 1ifw n GLU 62 N -1.38 2.18 -4.29 1.47 0.28 -0.92 -4.42 120.64 113.57 1ifw n GLU 62 Ca 0.02 -0.36 -0.34 0.00 -0.16 0.00 0.00 57.16 56.31 1ifw n GLU 62 Cb 0.04 -1.18 -0.13 0.00 1.43 0.00 0.00 31.44 31.61 1ifw n GLU 62 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1ifw s SER 63 N -2.01 4.64 0.09 -1.84 0.15 -0.48 -5.01 113.70 109.23 1ifw s SER 63 Ca 0.08 -0.21 -0.22 0.00 0.70 0.00 0.00 55.95 56.31 1ifw s SER 63 Cb 0.11 -1.77 -0.12 0.00 -1.71 0.00 0.00 66.02 62.54 1ifw s SER 63 CO 0.46 0.11 1.67 0.44 1.20 0.00 0.00 173.24 177.13 1ifw h ASP 64 N 7.12 0.14 -0.10 5.45 3.32 -1.92 -0.90 116.42 129.53 1ifw h ASP 64 Ca -0.33 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1ifw h ASP 64 Cb 1.19 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1ifw h ASP 64 CO 0.61 0.20 0.06 1.05 -1.72 0.00 0.00 179.24 179.44 1ifw h GLU 65 N 0.07 0.13 0.00 3.56 4.11 -1.95 0.22 114.58 120.73 1ifw h GLU 65 Ca 0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 1ifw h GLU 65 Cb 0.09 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ifw h GLU 65 CO -0.01 0.11 -0.06 -0.07 0.07 0.00 0.00 179.01 179.05 1ifw h LEU 66 N 0.11 0.00 0.00 3.06 -0.00 -1.82 -2.87 115.31 113.79 1ifw h LEU 66 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1ifw h LEU 66 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1ifw h LEU 66 CO -0.01 0.06 -0.02 0.15 -0.00 0.00 0.00 178.44 178.62 1ifw h PHE 67 N 0.00 0.00 -0.83 1.13 3.57 -0.44 -3.26 116.94 117.11 1ifw h PHE 67 Ca -0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1ifw h PHE 67 Cb 0.14 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 38.73 1ifw h PHE 67 CO 0.00 0.86 -0.16 0.93 -2.23 0.00 0.00 178.31 177.70 1ifw h GLU 68 N -1.00 0.01 0.68 1.11 4.39 -0.37 1.31 114.58 120.71 1ifw h GLU 68 Ca -0.01 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1ifw h GLU 68 Cb 0.86 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1ifw h GLU 68 CO -0.00 0.01 -0.39 1.96 -1.16 0.00 0.00 179.01 179.42 1ifw h GLN 69 N 0.01 -0.96 0.06 2.33 4.20 -1.66 1.05 115.11 120.14 1ifw h GLN 69 Ca 0.41 0.07 -0.00 0.00 0.06 0.00 0.00 58.65 59.19 1ifw h GLN 69 Cb 0.66 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1ifw h GLN 69 CO -0.83 -0.64 -0.03 0.45 -0.67 0.00 0.00 178.83 177.11 1ifw h HIS 70 N -0.99 -0.07 0.00 2.96 3.86 -1.42 -1.47 115.15 118.01 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 0.79 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1ifw h HIS 70 CO -0.04 0.07 0.00 0.98 0.86 0.00 0.00 177.93 179.80 1ifw n TYR 71 N -5.07 0.23 0.06 2.45 9.36 0.45 -3.47 117.16 121.17 1ifw n TYR 71 Ca -0.08 0.10 -0.02 0.00 3.32 0.00 0.00 57.90 61.22 1ifw n TYR 71 Cb 0.11 -0.66 -0.01 0.00 -0.63 0.00 0.00 39.34 38.15 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 -0.14 -1.01 2.98 3.64 0.23 1.08 116.57 123.36 1ifw h LYS 72 Ca 0.00 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.56 1ifw h LYS 72 Cb 0.21 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.96 1ifw h LYS 72 CO 0.00 -0.09 0.62 0.93 -2.27 0.00 0.00 179.45 178.64 1ifw h GLU 73 N -0.14 0.80 -0.10 1.90 3.07 -1.60 0.33 114.58 118.84 1ifw h GLU 73 Ca -0.01 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.69 1ifw h GLU 73 Cb 0.11 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1ifw h GLU 73 CO 0.02 0.53 -0.40 0.00 -1.40 0.00 0.00 179.01 177.76 1ifw h ALA 74 N 1.62 1.13 0.19 3.43 0.00 -1.57 -3.13 119.26 120.94 1ifw h ALA 74 Ca 0.56 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ifw h ALA 74 Cb 0.80 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ifw h ALA 74 CO -0.35 0.58 -0.20 1.03 0.00 0.00 0.00 179.25 180.31 1ifw h SER 75 N 0.19 -0.53 -1.05 0.00 0.87 0.53 -1.34 113.55 112.20 1ifw h SER 75 Ca 0.02 0.05 0.28 0.00 -1.23 0.00 0.00 61.79 60.91 1ifw h SER 75 Cb 0.80 0.19 -0.11 0.00 -0.44 0.00 0.00 62.40 62.83 1ifw h SER 75 CO 0.06 -0.30 0.65 0.00 -0.53 0.00 0.00 176.83 176.72 1ifw h ALA 76 N 0.32 2.12 0.00 6.23 0.00 -1.41 1.51 119.26 128.02 1ifw h ALA 76 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ifw h ALA 76 Cb 0.40 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ifw h ALA 76 CO -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 178.61 1ifw h ALA 77 N 1.67 1.00 0.24 0.00 0.00 -1.36 -3.21 119.26 117.60 1ifw h ALA 77 Ca 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 1ifw h ALA 77 Cb 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1ifw h ALA 77 CO -0.39 0.00 -0.11 -0.92 0.00 0.00 0.00 179.25 177.82 1ifw h TYR 78 N 0.00 -0.30 -0.16 0.00 5.03 0.32 -0.84 116.97 121.02 1ifw h TYR 78 Ca 0.00 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 1ifw h TYR 78 Cb 0.66 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.04 1ifw h TYR 78 CO 0.00 -0.11 0.01 0.93 -1.32 0.00 0.00 178.16 177.67 1ifw h GLU 79 N -0.42 0.28 -0.14 1.82 5.08 -1.57 0.39 114.58 120.01 1ifw h GLU 79 Ca -0.03 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1ifw h GLU 79 Cb 0.32 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1ifw h GLU 79 CO 0.05 0.49 0.01 0.77 -1.00 0.00 0.00 179.01 179.34 1ifw h SER 80 N 0.04 -0.02 0.30 1.42 0.02 -1.56 0.78 113.55 114.54 1ifw h SER 80 Ca 0.05 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1ifw h SER 80 Cb 0.36 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1ifw h SER 80 CO 0.01 0.01 -0.54 -0.26 -1.14 0.00 0.00 176.83 174.91 1ifw h PHE 81 N 0.07 0.32 0.04 3.45 -1.00 -1.17 -2.72 116.94 115.94 1ifw h PHE 81 Ca 0.06 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 1ifw h PHE 81 Cb 0.07 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1ifw h PHE 81 CO -0.13 0.74 -0.02 0.87 -1.61 0.00 0.00 178.31 178.16 1ifw h LYS 82 N 0.20 -0.05 0.00 1.51 1.79 -0.56 -3.31 116.57 116.15 1ifw h LYS 82 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1ifw h LYS 82 Cb 1.01 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1ifw h LYS 82 CO 0.08 0.11 0.07 0.87 -1.08 0.00 0.00 179.45 179.50 1ifw h LYS 83 N -1.01 0.00 0.00 3.15 1.79 0.46 0.72 116.57 121.69 1ifw h LYS 83 Ca -0.01 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 1ifw h LYS 83 Cb 0.19 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1ifw h LYS 83 CO 0.01 0.00 -0.70 0.93 -1.08 0.00 0.00 179.45 178.61 1ifw h GLU 84 N 0.00 0.00 -5.55 3.15 4.39 -1.56 -3.40 114.58 111.61 1ifw h GLU 84 Ca 0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 1ifw h GLU 84 Cb 0.14 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1ifw h GLU 84 CO 0.00 0.70 1.01 -0.65 -1.16 0.00 0.00 179.01 178.91 1ifw s GLN 85 N -3.38 2.55 0.21 2.33 -0.21 0.25 -4.64 119.66 116.77 1ifw s GLN 85 Ca -0.01 -0.95 0.23 0.00 0.02 0.00 0.00 55.36 54.65 1ifw s GLN 85 Cb 0.12 -5.20 0.03 0.00 1.00 0.00 0.00 33.01 28.96 1ifw s GLN 85 CO 0.77 -3.76 1.08 1.05 -2.12 0.00 0.00 175.29 172.31 1ifw h GLU 86 N 10.10 0.00 0.00 2.91 4.11 -1.84 -3.38 114.58 126.48 1ifw h GLU 86 Ca 0.19 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 59.23 1ifw h GLU 86 Cb 0.96 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 1ifw h GLU 86 CO 1.23 0.00 -2.47 1.04 0.07 0.00 0.00 179.01 178.88 1ifw n GLN 87 N -2.67 0.66 -2.78 1.06 6.02 -1.26 -4.84 117.38 113.56 1ifw n GLN 87 Ca 0.00 0.13 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1ifw n GLN 87 Cb 0.54 -1.52 -0.04 0.00 1.02 0.00 0.00 30.24 30.25 1ifw n GLN 87 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1ifw s GLN 88 N -2.52 3.26 -0.61 -1.09 0.74 -1.26 -4.98 119.66 113.21 1ifw s GLN 88 Ca -0.32 -0.37 -0.04 0.00 0.05 0.00 0.00 55.36 54.68 1ifw s GLN 88 Cb 0.09 -4.12 0.16 0.00 1.10 0.00 0.00 33.01 30.24 1ifw s GLN 88 CO 0.63 -1.70 0.44 0.99 -0.55 0.00 0.00 175.29 175.10 1ifw s THR 89 N 4.34 3.83 -0.08 -0.34 2.01 -1.26 -4.87 115.64 119.26 1ifw s THR 89 Ca 0.30 -2.80 -0.02 0.00 0.31 0.00 0.00 61.69 59.47 1ifw s THR 89 Cb -0.13 -3.49 -0.26 0.00 0.01 0.00 0.00 72.50 68.63 1ifw s THR 89 CO 0.17 -0.87 0.50 -0.33 -0.69 0.00 0.00 174.62 173.40 1ifw h GLU 90 N 7.22 0.21 -5.69 4.92 4.39 -1.96 -3.45 114.58 120.23 1ifw h GLU 90 Ca -0.02 -0.37 -0.58 0.00 0.34 0.00 0.00 59.36 58.73 1ifw h GLU 90 Cb 0.97 0.14 -0.09 0.00 -0.10 0.00 0.00 28.75 29.67 1ifw h GLU 90 CO 0.72 1.05 -0.07 -0.65 -1.16 0.00 0.00 179.01 178.89 1ifw s GLN 91 N -2.57 4.29 0.00 2.33 -1.52 -1.26 -5.13 119.66 115.79 1ifw s GLN 91 Ca -0.17 0.48 0.25 0.00 -1.95 0.00 0.00 55.36 53.97 1ifw s GLN 91 Cb 0.07 -3.49 1.47 0.00 -0.22 0.00 0.00 33.01 30.84 1ifw s GLN 91 CO 0.80 0.03 1.83 0.00 -0.25 0.00 0.00 175.29 177.69