#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qof s THR 2 N 0.00 0.91 0.06 0.00 2.01 -1.26 -0.92 115.64 116.44 1qof s THR 2 Ca 0.00 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 1qof s THR 2 Cb 0.00 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1qof s THR 2 CO 0.00 0.27 0.21 -0.36 -0.69 0.00 0.00 174.62 174.05 1qof s PHE 3 N 1.75 3.52 -0.17 4.92 0.08 -0.07 -4.87 117.98 123.14 1qof s PHE 3 Ca 0.04 0.25 -0.22 0.00 0.12 0.00 0.00 56.93 57.12 1qof s PHE 3 Cb -0.13 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1qof s PHE 3 CO -0.08 0.59 0.67 0.21 -0.10 0.00 0.00 175.22 176.51 1qof s LYS 4 N -2.50 4.27 -0.18 0.44 2.20 -1.26 -0.32 119.74 122.39 1qof s LYS 4 Ca 0.35 0.72 0.01 0.00 -0.36 0.00 0.00 55.97 56.69 1qof s LYS 4 Cb -0.13 -3.55 0.02 0.00 -1.51 0.00 0.00 37.83 32.67 1qof s LYS 4 CO 0.28 -0.18 -0.18 0.08 -0.36 0.00 0.00 175.35 174.99 1qof s VAL 5 N 1.68 1.93 -0.23 4.02 1.01 -0.42 -0.42 120.40 127.97 1qof s VAL 5 Ca 0.32 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1qof s VAL 5 Cb -0.16 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1qof s VAL 5 CO 0.12 0.49 0.12 -0.89 0.00 0.00 0.00 175.10 174.94 1qof s THR 6 N 1.34 5.00 -0.24 3.92 2.01 0.15 -1.16 115.64 126.66 1qof s THR 6 Ca 0.04 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 62.01 1qof s THR 6 Cb -0.13 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1qof s THR 6 CO -0.12 0.36 0.11 -0.76 -0.69 0.00 0.00 174.62 173.52 1qof s LEU 7 N 1.09 3.78 -0.11 4.42 1.43 0.18 -0.60 118.68 128.87 1qof s LEU 7 Ca 0.06 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1qof s LEU 7 Cb -0.14 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 1qof s LEU 7 CO 0.04 0.03 -0.21 -0.63 0.23 0.00 0.00 176.35 175.81 1qof s ILE 8 N 1.23 2.31 -0.64 -0.59 1.01 0.18 -0.71 121.20 123.99 1qof s ILE 8 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1qof s ILE 8 Cb -0.14 -1.91 0.16 0.00 0.01 0.00 0.00 42.46 40.58 1qof s ILE 8 CO 0.05 0.55 0.45 0.21 0.00 0.00 0.00 174.94 176.19 1qof s ASN 9 N 0.33 5.04 0.26 3.58 3.84 -0.56 0.01 114.94 127.43 1qof s ASN 9 Ca -0.17 -3.14 -0.03 0.00 0.21 0.00 0.00 52.86 49.73 1qof s ASN 9 Cb -0.17 -1.78 0.52 0.00 -0.55 0.00 0.00 41.25 39.27 1qof s ASN 9 CO 0.08 -0.27 1.67 -0.33 -2.79 0.00 0.00 177.10 175.46 1qof h GLU 10 N 6.55 0.23 -0.00 0.43 5.08 -1.85 0.31 114.58 125.32 1qof h GLU 10 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qof h GLU 10 Cb 0.89 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1qof h GLU 10 CO 0.72 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.89 1qof h ALA 11 N 1.67 0.00 -0.01 3.43 0.00 -1.94 -2.65 119.26 119.76 1qof h ALA 11 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1qof h ALA 11 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1qof h ALA 11 CO -0.57 -0.49 -0.07 0.39 0.00 0.00 0.00 179.25 178.52 1qof n GLU 12 N -5.08 1.40 -3.61 0.00 1.02 -0.92 -4.95 120.64 108.50 1qof n GLU 12 Ca -0.07 -0.79 -0.25 0.00 -0.02 0.00 0.00 57.16 56.03 1qof n GLU 12 Cb 0.04 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.02 1qof n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qof n GLY 13 N 1.21 -0.82 3.35 0.62 0.00 0.10 -5.01 105.19 104.66 1qof n GLY 13 Ca 0.17 0.39 -0.26 0.00 0.00 0.00 0.00 46.02 46.32 1qof n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qof s THR 14 N -3.53 2.03 -0.08 2.61 -4.23 -0.92 -5.00 115.64 106.52 1qof s THR 14 Ca 0.33 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 59.05 1qof s THR 14 Cb -0.10 -1.85 0.04 0.00 1.34 0.00 0.00 72.50 71.94 1qof s THR 14 CO 0.83 -0.06 0.11 -0.75 -0.54 0.00 0.00 174.62 174.20 1qof s LYS 15 N -2.23 -0.01 -0.04 3.99 2.20 -1.26 -1.49 119.74 120.89 1qof s LYS 15 Ca 0.13 0.37 0.06 0.00 -0.36 0.00 0.00 55.97 56.17 1qof s LYS 15 Cb -0.09 -0.65 -0.01 0.00 -1.51 0.00 0.00 37.83 35.57 1qof s LYS 15 CO 0.06 -0.39 -0.23 -1.01 -0.36 0.00 0.00 175.35 173.43 1qof s HIS 16 N 2.22 2.18 -0.10 4.03 3.76 0.12 -4.96 115.29 122.54 1qof s HIS 16 Ca 0.04 -0.59 -0.01 0.00 -0.15 0.00 0.00 55.06 54.35 1qof s HIS 16 Cb -0.13 -1.43 -0.03 0.00 1.11 0.00 0.00 32.58 32.10 1qof s HIS 16 CO -0.05 -0.16 -0.05 -1.21 -0.85 0.00 0.00 174.74 172.42 1qof s GLU 17 N -0.22 3.14 0.15 1.40 2.02 -1.26 0.49 118.70 124.42 1qof s GLU 17 Ca -0.00 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 54.49 1qof s GLU 17 Cb -0.12 -2.74 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 1qof s GLU 17 CO 0.02 0.50 -0.05 0.96 0.02 0.00 0.00 175.26 176.72 1qof s ILE 18 N -0.36 0.90 -0.23 -1.63 -4.36 -0.31 -5.00 121.20 110.20 1qof s ILE 18 Ca 0.06 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.38 1qof s ILE 18 Cb -0.12 -1.96 -0.03 0.00 1.25 0.00 0.00 42.46 41.60 1qof s ILE 18 CO 0.02 -0.64 0.04 -1.61 0.24 0.00 0.00 174.94 173.00 1qof s GLU 19 N -3.83 3.67 -0.08 0.37 0.41 -1.26 -1.30 118.70 116.66 1qof s GLU 19 Ca 0.19 -0.48 0.03 0.00 -0.41 0.00 0.00 54.97 54.30 1qof s GLU 19 Cb 0.05 -3.22 0.01 0.00 -1.78 0.00 0.00 34.13 29.18 1qof s GLU 19 CO 0.01 -0.08 -0.17 0.08 -0.49 0.00 0.00 175.26 174.62 1qof s VAL 20 N 1.29 1.52 0.65 2.63 1.01 0.56 -4.95 120.40 123.10 1qof s VAL 20 Ca 0.04 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 1qof s VAL 20 Cb -0.15 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1qof s VAL 20 CO 0.03 0.44 1.20 -2.84 0.00 0.00 0.00 175.10 173.93 1qof s PRO 21 N 0.58 2.65 0.39 2.72 0.02 -1.26 -0.90 135.00 139.21 1qof s PRO 21 Ca -0.15 1.76 0.28 0.00 0.02 0.00 0.00 61.00 62.91 1qof s PRO 21 Cb -0.17 -1.90 1.38 0.00 0.02 0.00 0.00 34.50 33.84 1qof s PRO 21 CO 0.05 -1.44 1.84 0.38 -0.33 0.00 0.00 177.00 177.50 1qof h ASP 22 N 0.37 0.00 -0.20 2.53 3.04 -1.33 -2.54 116.42 118.30 1qof h ASP 22 Ca -0.49 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.22 1qof h ASP 22 Cb 1.29 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.54 1qof h ASP 22 CO 0.53 0.00 -0.14 -0.90 -2.04 0.00 0.00 179.24 176.69 1qof n ASP 23 N -2.49 2.56 -4.17 4.15 5.75 -1.26 -4.69 116.55 116.39 1qof n ASP 23 Ca -0.01 -3.54 -0.23 0.00 -0.01 0.00 0.00 54.79 51.01 1qof n ASP 23 Cb 0.12 -0.56 -0.14 0.00 -1.03 0.00 0.00 41.12 39.51 1qof n ASP 23 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1qof s GLU 24 N -3.10 1.17 0.41 0.11 2.12 -0.96 -5.12 118.70 113.33 1qof s GLU 24 Ca 0.40 -0.74 -0.24 0.00 0.36 0.00 0.00 54.97 54.75 1qof s GLU 24 Cb 0.36 -1.19 -0.09 0.00 0.26 0.00 0.00 34.13 33.48 1qof s GLU 24 CO 0.01 0.31 1.07 0.71 -0.54 0.00 0.00 175.26 176.81 1qof s TYR 25 N -0.68 3.20 0.20 5.30 2.02 -1.26 -4.48 117.35 121.65 1qof s TYR 25 Ca 0.05 1.62 -0.11 0.00 -0.37 0.00 0.00 57.07 58.26 1qof s TYR 25 Cb -0.07 -3.16 0.24 0.00 -0.40 0.00 0.00 41.96 38.56 1qof s TYR 25 CO 0.01 -0.77 1.72 0.82 -1.57 0.00 0.00 175.55 175.76 1qof h ILE 26 N 2.12 0.70 -0.24 2.71 2.04 -1.15 -2.55 117.51 121.14 1qof h ILE 26 Ca -0.48 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1qof h ILE 26 Cb 1.22 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1qof h ILE 26 CO 0.62 0.05 0.02 0.25 0.00 0.00 0.00 178.15 179.09 1qof h LEU 27 N 0.27 -0.06 -0.24 1.44 5.85 -1.75 -1.62 115.31 119.21 1qof h LEU 27 Ca 0.28 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.09 1qof h LEU 27 Cb 0.38 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1qof h LEU 27 CO -0.35 0.00 -0.00 0.44 -0.34 0.00 0.00 178.44 178.19 1qof h ASP 28 N 0.10 -0.10 -0.40 1.25 5.19 -1.78 -2.12 116.42 118.56 1qof h ASP 28 Ca 0.11 0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.60 1qof h ASP 28 Cb 0.14 0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.72 1qof h ASP 28 CO -0.18 -0.02 0.24 0.00 -3.12 0.00 0.00 179.24 176.16 1qof h ALA 29 N 1.21 0.50 -0.29 3.45 0.00 -1.20 -1.85 119.26 121.08 1qof h ALA 29 Ca 0.12 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1qof h ALA 29 Cb 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1qof h ALA 29 CO -0.20 -0.09 0.11 0.00 0.00 0.00 0.00 179.25 179.07 1qof h ALA 30 N 1.18 0.34 -0.22 0.00 0.00 -1.08 -0.26 119.26 119.20 1qof h ALA 30 Ca 0.16 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1qof h ALA 30 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1qof h ALA 30 CO -0.07 -0.28 0.09 0.93 0.00 0.00 0.00 179.25 179.91 1qof h GLU 31 N 0.25 0.19 0.00 0.00 5.08 -1.24 0.28 114.58 119.14 1qof h GLU 31 Ca 0.13 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1qof h GLU 31 Cb 0.08 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1qof h GLU 31 CO -0.12 0.13 -0.01 0.93 -1.00 0.00 0.00 179.01 178.94 1qof h GLU 32 N 0.20 0.00 -0.19 2.33 5.08 -0.95 -0.96 114.58 120.09 1qof h GLU 32 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1qof h GLU 32 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1qof h GLU 32 CO -0.09 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 178.97 1qof n GLN 33 N -4.49 1.66 -0.53 2.33 6.02 -0.14 -4.91 117.38 117.32 1qof n GLN 33 Ca -0.03 -1.01 0.00 0.00 -0.01 0.00 0.00 57.00 55.95 1qof n GLN 33 Cb 0.10 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1qof n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qof n GLY 34 N 1.07 0.69 3.11 1.08 0.00 -0.37 -5.04 105.19 105.74 1qof n GLY 34 Ca 0.15 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1qof n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qof s TYR 35 N -2.00 3.37 0.09 1.61 2.02 0.86 -4.98 117.35 118.32 1qof s TYR 35 Ca 0.00 -2.23 -0.30 0.00 -0.37 0.00 0.00 57.07 54.17 1qof s TYR 35 Cb 0.00 -2.27 -0.06 0.00 -0.40 0.00 0.00 41.96 39.23 1qof s TYR 35 CO 0.00 -0.87 1.07 -0.51 -1.57 0.00 0.00 175.55 173.68 1qof s ASP 36 N 1.21 7.28 0.16 2.29 1.01 -1.26 -2.99 116.67 124.37 1qof s ASP 36 Ca -0.03 1.91 0.07 0.00 0.71 0.00 0.00 52.55 55.21 1qof s ASP 36 Cb -0.20 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.10 1qof s ASP 36 CO -0.04 -0.27 -0.15 -0.76 0.21 0.00 0.00 175.17 174.17 1qof s LEU 37 N 0.42 2.47 0.43 1.23 1.43 -1.26 -5.05 118.68 118.36 1qof s LEU 37 Ca 0.52 -0.91 -0.25 0.00 -1.03 0.00 0.00 54.13 52.47 1qof s LEU 37 Cb -0.26 -0.62 -0.08 0.00 0.03 0.00 0.00 46.19 45.25 1qof s LEU 37 CO 0.31 -0.15 1.27 -2.16 0.23 0.00 0.00 176.35 175.85 1qof s PRO 38 N -3.11 3.82 0.07 1.29 0.04 -1.26 -5.01 135.00 130.84 1qof s PRO 38 Ca 0.15 2.07 -0.27 0.00 0.04 0.00 0.00 61.00 62.99 1qof s PRO 38 Cb -0.03 -2.61 0.08 0.00 0.04 0.00 0.00 34.50 31.98 1qof s PRO 38 CO 0.05 -0.59 0.93 -0.59 0.04 0.00 0.00 177.00 176.84 1qof s PHE 39 N -1.33 -0.24 0.00 0.56 -0.71 -1.26 -3.84 117.98 111.16 1qof s PHE 39 Ca 0.60 0.02 0.00 0.00 -1.04 0.00 0.00 56.93 56.51 1qof s PHE 39 Cb -0.36 0.59 0.00 0.00 -1.21 0.00 0.00 43.02 42.04 1qof s PHE 39 CO 0.45 -0.68 0.00 0.45 -1.34 0.00 0.00 175.22 174.10 1qof n SER 40 N -0.36 0.00 0.16 1.98 2.88 -1.26 -4.92 113.62 112.10 1qof n SER 40 Ca -0.08 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.49 1qof n SER 40 Cb 0.61 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.31 1qof n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qof n ARG 42 N -3.53 -1.48 -0.10 0.00 1.74 -1.26 -4.79 116.66 107.24 1qof n ARG 42 Ca -0.00 1.03 0.01 0.00 -0.77 0.00 0.00 57.85 58.12 1qof n ARG 42 Cb 0.59 -5.42 0.02 0.00 -1.02 0.00 0.00 32.46 26.63 1qof n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qof n ALA 43 N 0.46 1.66 -1.22 7.54 0.00 -1.26 -4.91 120.51 122.78 1qof n ALA 43 Ca -0.19 -1.05 -0.07 0.00 0.00 0.00 0.00 53.44 52.13 1qof n ALA 43 Cb 0.60 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1qof n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qof n GLY 44 N -0.36 0.95 0.83 0.00 0.00 -1.26 -4.81 105.19 100.53 1qof n GLY 44 Ca 0.02 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.42 1qof n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qof n ALA 45 N 1.14 3.61 -3.48 4.61 0.00 -1.26 -1.00 120.51 124.13 1qof n ALA 45 Ca -0.07 -2.94 -0.05 0.00 0.00 0.00 0.00 53.44 50.38 1qof n ALA 45 Cb 0.25 -0.60 -0.00 0.00 0.00 0.00 0.00 19.45 19.10 1qof n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qof n SER 47 N -1.65 1.66 -0.20 0.00 3.41 -1.26 -4.77 113.62 110.81 1qof n SER 47 Ca -0.01 -1.33 0.01 0.00 -0.26 0.00 0.00 58.87 57.28 1qof n SER 47 Cb 0.30 0.13 0.11 0.00 -0.26 0.00 0.00 64.21 64.49 1qof n SER 47 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1qof h THR 48 N 1.73 0.58 -0.32 6.66 2.02 -1.95 -2.03 112.91 119.60 1qof h THR 48 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1qof h THR 48 Cb 0.39 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1qof h THR 48 CO 0.00 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.93 1qof n ALA 50 N 0.39 1.41 -2.43 0.00 0.00 -0.77 -2.94 120.51 116.17 1qof n ALA 50 Ca 0.14 0.40 -0.23 0.00 0.00 0.00 0.00 53.44 53.75 1qof n ALA 50 Cb 0.66 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 17.71 1qof n ALA 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qof s GLY 51 N 0.24 2.39 -0.06 0.00 0.00 0.83 -1.59 107.32 109.13 1qof s GLY 51 Ca 0.66 -1.53 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 1qof s GLY 51 CO 0.51 -1.72 0.01 1.25 0.00 0.00 0.00 173.10 173.15 1qof s LYS 52 N -3.72 0.46 0.29 2.90 2.20 0.61 -0.96 119.74 121.52 1qof s LYS 52 Ca 0.30 0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.76 1qof s LYS 52 Cb 0.04 -0.83 -0.11 0.00 -1.51 0.00 0.00 37.83 35.42 1qof s LYS 52 CO 0.17 -0.28 1.52 -0.51 -0.36 0.00 0.00 175.35 175.89 1qof s LEU 53 N 1.86 4.36 -0.27 5.43 1.43 0.27 -0.76 118.68 131.00 1qof s LEU 53 Ca 0.03 2.87 -0.11 0.00 -1.03 0.00 0.00 54.13 55.89 1qof s LEU 53 Cb -0.12 -3.64 -0.13 0.00 0.03 0.00 0.00 46.19 42.33 1qof s LEU 53 CO -0.04 -0.83 -0.32 0.52 0.23 0.00 0.00 176.35 175.91 1qof n VAL 54 N 1.90 1.47 -3.63 -1.59 0.31 0.17 -4.89 118.33 112.07 1qof n VAL 54 Ca 0.06 -0.41 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 1qof n VAL 54 Cb 0.39 -1.78 -0.04 0.00 -0.91 0.00 0.00 33.84 31.50 1qof n VAL 54 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1qof s SER 55 N -7.24 -0.26 0.00 4.52 1.04 -1.06 -4.98 113.70 105.73 1qof s SER 55 Ca -0.37 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1qof s SER 55 Cb 0.13 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1qof s SER 55 CO 0.49 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1qof n GLY 56 N -0.26 -0.36 3.38 7.32 0.00 -1.26 -1.52 105.19 112.50 1qof n GLY 56 Ca -0.15 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 1qof n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qof s THR 57 N -1.83 2.11 0.13 2.61 -4.23 -1.26 -4.95 115.64 108.22 1qof s THR 57 Ca 0.00 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1qof s THR 57 Cb 0.00 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 1qof s THR 57 CO 0.00 -0.24 0.02 0.68 -0.54 0.00 0.00 174.62 174.54 1qof s VAL 58 N -1.93 0.36 -0.31 2.29 -7.23 -1.26 -0.84 120.40 111.48 1qof s VAL 58 Ca 0.19 -1.92 -0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1qof s VAL 58 Cb -0.07 -1.98 0.07 0.00 0.56 0.00 0.00 36.38 34.96 1qof s VAL 58 CO 0.09 -0.57 0.01 -0.62 -0.31 0.00 0.00 175.10 173.70 1qof s ASP 59 N -3.08 4.83 -0.27 4.85 2.15 0.71 -4.84 116.67 121.03 1qof s ASP 59 Ca 0.21 -1.54 0.09 0.00 0.43 0.00 0.00 52.55 51.73 1qof s ASP 59 Cb 0.07 -1.68 0.45 0.00 -0.30 0.00 0.00 42.92 41.46 1qof s ASP 59 CO 0.01 -0.30 1.28 0.00 -0.17 0.00 0.00 175.17 175.98 1qof n GLN 60 N 4.52 2.40 -0.20 4.34 10.64 -1.26 -1.04 117.38 136.78 1qof n GLN 60 Ca -0.09 -3.60 0.31 0.00 -1.83 0.00 0.00 57.00 51.78 1qof n GLN 60 Cb 0.43 -1.92 0.70 0.00 -0.86 0.00 0.00 30.24 28.59 1qof n GLN 60 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1qof h SER 61 N 1.46 0.00 0.28 2.61 4.64 -1.92 0.34 113.55 120.96 1qof h SER 61 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1qof h SER 61 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1qof h SER 61 CO 0.40 0.00 -0.13 0.47 -0.87 0.00 0.00 176.83 176.70 1qof n ASP 62 N -3.89 0.68 -4.78 4.97 8.00 -1.26 -4.89 116.55 115.38 1qof n ASP 62 Ca 0.21 -0.76 -0.33 0.00 0.71 0.00 0.00 54.79 54.61 1qof n ASP 62 Cb 1.15 -0.01 0.04 0.00 -0.02 0.00 0.00 41.12 42.28 1qof n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qof s GLN 63 N -2.41 2.90 0.00 -1.24 1.03 0.11 -4.77 119.66 115.27 1qof s GLN 63 Ca 0.30 1.36 0.00 0.00 0.04 0.00 0.00 55.36 57.05 1qof s GLN 63 Cb 0.20 -1.97 0.00 0.00 0.03 0.00 0.00 33.01 31.27 1qof s GLN 63 CO 0.47 -1.17 0.00 -1.13 -2.54 0.00 0.00 175.29 170.92 1qof n SER 64 N -2.35 0.00 -0.00 12.60 3.41 -0.17 -4.92 113.62 122.19 1qof n SER 64 Ca 0.10 -0.85 -0.12 0.00 -0.26 0.00 0.00 58.87 57.75 1qof n SER 64 Cb 0.52 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.33 1qof n SER 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1qof h PHE 65 N 0.00 0.13 -3.58 7.33 3.04 -1.79 -3.47 116.94 118.59 1qof h PHE 65 Ca 0.00 -0.10 -0.52 0.00 3.98 0.00 0.00 57.97 61.34 1qof h PHE 65 Cb 0.42 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 1qof h PHE 65 CO 0.00 1.19 0.18 -0.51 -2.02 0.00 0.00 178.31 177.14 1qof s LEU 66 N -6.39 4.48 0.68 0.59 1.43 -1.26 -5.00 118.68 113.21 1qof s LEU 66 Ca -0.08 1.60 -0.10 0.00 -1.03 0.00 0.00 54.13 54.52 1qof s LEU 66 Cb 0.08 -3.48 0.02 0.00 0.03 0.00 0.00 46.19 42.83 1qof s LEU 66 CO 0.82 0.12 1.05 1.51 0.23 0.00 0.00 176.35 180.08 1qof s ASP 67 N -1.37 5.43 0.34 2.29 1.47 -1.26 -4.85 116.67 118.72 1qof s ASP 67 Ca 0.40 1.01 0.09 0.00 1.18 0.00 0.00 52.55 55.23 1qof s ASP 67 Cb -0.21 -1.84 0.82 0.00 -0.34 0.00 0.00 42.92 41.36 1qof s ASP 67 CO 0.24 -1.30 1.81 -2.24 0.68 0.00 0.00 175.17 174.36 1qof h ASP 68 N -0.55 0.69 -0.29 2.11 2.03 -1.99 -1.16 116.42 117.26 1qof h ASP 68 Ca -0.45 0.07 -0.03 0.00 -0.73 0.00 0.00 57.03 55.90 1qof h ASP 68 Cb 1.26 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.69 1qof h ASP 68 CO 0.63 0.27 0.08 0.44 -1.03 0.00 0.00 179.24 179.63 1qof h ASP 69 N 0.68 0.43 -0.65 4.15 3.32 -1.99 -0.06 116.42 122.31 1qof h ASP 69 Ca 0.53 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 1qof h ASP 69 Cb 0.93 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1qof h ASP 69 CO -0.30 0.54 0.16 0.11 -1.72 0.00 0.00 179.24 178.03 1qof h LYS 70 N 0.30 1.06 -0.33 3.56 1.79 -1.62 -1.03 116.57 120.29 1qof h LYS 70 Ca 0.09 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1qof h LYS 70 Cb 0.27 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1qof h LYS 70 CO -0.00 0.93 0.21 0.82 -1.08 0.00 0.00 179.45 180.34 1qof h ILE 71 N 1.01 1.08 -0.65 1.86 2.04 -1.06 -1.78 117.51 120.00 1qof h ILE 71 Ca 0.21 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1qof h ILE 71 Cb 0.35 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1qof h ILE 71 CO 0.00 0.08 0.43 -0.08 0.00 0.00 0.00 178.15 178.58 1qof h GLU 72 N 0.43 0.80 0.00 2.37 4.81 -0.44 -0.62 114.58 121.93 1qof h GLU 72 Ca 0.12 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1qof h GLU 72 Cb -0.04 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1qof h GLU 72 CO -0.03 0.53 0.00 0.00 -0.73 0.00 0.00 179.01 178.77 1qof n ALA 73 N -2.44 1.98 0.00 2.92 0.00 -0.44 -4.86 120.51 117.65 1qof n ALA 73 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1qof n ALA 73 Cb 0.09 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1qof n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qof n GLY 74 N 0.40 1.01 3.79 0.00 0.00 -0.24 -4.87 105.19 105.27 1qof n GLY 74 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1qof n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qof s TYR 75 N -2.00 3.53 0.01 1.61 1.51 -0.78 -0.57 117.35 120.66 1qof s TYR 75 Ca 0.00 1.72 0.00 0.00 -1.01 0.00 0.00 57.07 57.78 1qof s TYR 75 Cb 0.00 -2.95 -0.01 0.00 -0.11 0.00 0.00 41.96 38.89 1qof s TYR 75 CO 0.00 -0.03 -0.02 0.08 -1.11 0.00 0.00 175.55 174.47 1qof s VAL 76 N -1.74 0.15 -0.53 0.71 1.01 -0.13 -4.60 120.40 115.26 1qof s VAL 76 Ca 0.54 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1qof s VAL 76 Cb -0.17 -0.19 0.11 0.00 0.00 0.00 0.00 36.38 36.13 1qof s VAL 76 CO 0.22 -0.14 0.51 -0.76 0.00 0.00 0.00 175.10 174.94 1qof s LEU 77 N -0.52 5.92 0.60 3.92 1.43 -1.26 -0.12 118.68 128.65 1qof s LEU 77 Ca -0.04 -1.61 0.30 0.00 -1.03 0.00 0.00 54.13 51.74 1qof s LEU 77 Cb -0.04 -2.22 1.67 0.00 0.03 0.00 0.00 46.19 45.62 1qof s LEU 77 CO -0.00 -0.85 2.06 0.71 0.23 0.00 0.00 176.35 178.50 1qof h THR 78 N 5.86 0.38 0.00 5.49 1.35 -1.89 -1.35 112.91 122.75 1qof h THR 78 Ca -0.30 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.55 1qof h THR 78 Cb 1.10 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1qof h THR 78 CO 1.01 0.00 -0.09 0.00 -0.25 0.00 0.00 175.52 176.19 1qof n VAL 80 N -3.34 0.98 -4.10 0.00 0.24 -0.53 -4.81 118.33 106.77 1qof n VAL 80 Ca -0.01 -1.90 -0.35 0.00 -2.04 0.00 0.00 64.34 60.05 1qof n VAL 80 Cb 0.28 0.41 -0.11 0.00 -1.47 0.00 0.00 33.84 32.94 1qof n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qof s ALA 81 N -1.44 3.18 -0.13 2.33 0.00 -1.11 -4.44 121.76 120.14 1qof s ALA 81 Ca 0.33 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 1qof s ALA 81 Cb 0.35 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1qof s ALA 81 CO -0.11 0.02 0.08 0.71 0.00 0.00 0.00 175.76 176.46 1qof s TYR 82 N 0.69 3.36 0.42 0.00 2.02 -0.21 -1.01 117.35 122.62 1qof s TYR 82 Ca 0.01 0.29 -0.23 0.00 -0.37 0.00 0.00 57.07 56.77 1qof s TYR 82 Cb -0.14 -1.95 -0.09 0.00 -0.40 0.00 0.00 41.96 39.38 1qof s TYR 82 CO 0.02 0.47 1.04 -1.25 -1.57 0.00 0.00 175.55 174.26 1qof s PRO 83 N -0.51 4.10 0.00 -1.71 0.04 -1.26 -0.21 135.00 135.45 1qof s PRO 83 Ca 0.11 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.63 1qof s PRO 83 Cb -0.12 -2.44 0.03 0.00 0.04 0.00 0.00 34.50 32.01 1qof s PRO 83 CO 0.02 -0.19 0.75 0.25 0.04 0.00 0.00 177.00 177.87 1qof n THR 84 N -0.26 0.40 -3.91 1.26 -2.24 -0.02 -4.76 114.28 104.75 1qof n THR 84 Ca 0.06 -0.70 -0.02 0.00 -2.27 0.00 0.00 64.05 61.12 1qof n THR 84 Cb 0.50 0.82 0.02 0.00 -2.10 0.00 0.00 70.33 69.58 1qof n THR 84 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qof s SER 85 N -0.49 0.01 0.36 3.42 1.04 -1.21 -4.85 113.70 111.98 1qof s SER 85 Ca 0.03 -0.60 -0.27 0.00 0.48 0.00 0.00 55.95 55.58 1qof s SER 85 Cb 0.02 0.44 -0.09 0.00 0.10 0.00 0.00 66.02 66.48 1qof s SER 85 CO 0.02 -0.88 1.25 -1.81 0.98 0.00 0.00 173.24 172.81 1qof s ASP 86 N -3.49 6.67 0.03 7.02 1.11 -1.26 -4.67 116.67 122.07 1qof s ASP 86 Ca 0.24 2.56 0.02 0.00 0.18 0.00 0.00 52.55 55.54 1qof s ASP 86 Cb -0.02 -2.64 -0.02 0.00 1.07 0.00 0.00 42.92 41.31 1qof s ASP 86 CO 0.04 -0.59 -0.06 -0.69 1.18 0.00 0.00 175.17 175.05 1qof s VAL 87 N -1.23 0.41 -0.17 -1.27 1.01 0.44 -4.08 120.40 115.52 1qof s VAL 87 Ca 0.52 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1qof s VAL 87 Cb -0.36 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1qof s VAL 87 CO 0.47 -0.33 -0.20 -0.69 0.00 0.00 0.00 175.10 174.36 1qof s VAL 88 N -1.19 2.01 0.00 2.92 1.01 -0.57 0.34 120.40 124.92 1qof s VAL 88 Ca -0.09 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1qof s VAL 88 Cb -0.09 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1qof s VAL 88 CO 0.00 0.53 -0.03 -0.51 0.00 0.00 0.00 175.10 175.09 1qof s ILE 89 N 1.19 0.25 -0.13 2.22 2.07 0.23 0.46 121.20 127.48 1qof s ILE 89 Ca 0.02 -0.30 -0.19 0.00 -1.41 0.00 0.00 60.65 58.78 1qof s ILE 89 Cb -0.14 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 1qof s ILE 89 CO -0.10 -0.04 0.50 -1.10 -1.91 0.00 0.00 174.94 172.30 1qof s GLN 90 N -0.36 4.32 0.52 3.50 -0.21 0.06 0.50 119.66 127.99 1qof s GLN 90 Ca -0.02 0.48 0.06 0.00 0.02 0.00 0.00 55.36 55.90 1qof s GLN 90 Cb -0.03 -3.46 0.04 0.00 1.00 0.00 0.00 33.01 30.56 1qof s GLN 90 CO -0.00 0.09 0.71 0.95 -2.12 0.00 0.00 175.29 174.92 1qof s THR 91 N 0.83 2.65 -1.33 -0.19 -4.23 0.10 -0.29 115.64 113.18 1qof s THR 91 Ca 0.27 -0.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.85 1qof s THR 91 Cb -0.15 -2.79 0.02 0.00 1.34 0.00 0.00 72.50 70.92 1qof s THR 91 CO 0.11 0.00 1.02 1.41 -0.54 0.00 0.00 174.62 176.62 1qof n HIS 92 N -2.16 -2.43 -0.44 3.99 8.25 -1.22 -4.74 115.22 116.47 1qof n HIS 92 Ca 0.10 0.95 0.11 0.00 -0.26 0.00 0.00 57.72 58.62 1qof n HIS 92 Cb 0.60 -4.78 0.34 0.00 1.12 0.00 0.00 29.99 27.27 1qof n HIS 92 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qof n LYS 93 N -4.57 2.99 -0.19 -0.41 4.76 -0.62 -4.49 118.16 115.63 1qof n LYS 93 Ca -0.13 -2.75 0.29 0.00 -2.87 0.00 0.00 58.31 52.85 1qof n LYS 93 Cb 0.61 -1.66 0.72 0.00 -1.84 0.00 0.00 35.03 32.85 1qof n LYS 93 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1qof h GLU 94 N 4.32 0.01 -0.97 1.97 4.81 -1.79 -0.37 114.58 122.57 1qof h GLU 94 Ca 0.00 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1qof h GLU 94 Cb 1.12 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 1qof h GLU 94 CO 0.06 0.01 0.64 0.93 -0.73 0.00 0.00 179.01 179.92 1qof h GLU 95 N 0.02 1.27 0.00 1.92 5.08 -1.93 -1.78 114.58 119.17 1qof h GLU 95 Ca 0.44 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1qof h GLU 95 Cb 1.72 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1qof h GLU 95 CO -0.01 0.84 0.00 -0.44 -1.00 0.00 0.00 179.01 178.40 1qof h ASP 96 N 1.31 0.00 0.90 1.42 5.19 -1.41 -2.00 116.42 121.82 1qof h ASP 96 Ca 0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.77 1qof h ASP 96 Cb -0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.36 1qof h ASP 96 CO -0.08 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.22 1qof n LEU 97 N -2.35 0.00 0.00 1.55 4.77 -0.67 -5.21 117.00 115.10 1qof n LEU 97 Ca 0.00 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1qof n LEU 97 Cb 0.13 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1qof n LEU 97 CO 0.15 -0.04 0.00 -1.22 -1.33 0.00 0.00 177.39 174.95