#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfi n ASP 2 N 0.00 4.88 -4.20 4.31 2.03 -1.26 -4.83 116.55 117.48 1bfi n ASP 2 Ca 0.00 -2.69 -0.34 0.00 0.52 0.00 0.00 54.79 52.28 1bfi n ASP 2 Cb 0.00 -0.63 -0.14 0.00 -0.72 0.00 0.00 41.12 39.63 1bfi n ASP 2 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1bfi s LEU 3 N -2.19 3.08 0.00 -2.67 2.96 -1.26 -4.96 118.68 113.64 1bfi s LEU 3 Ca 0.47 -0.82 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1bfi s LEU 3 Cb 0.34 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 45.38 1bfi s LEU 3 CO 0.16 -0.11 0.71 -2.65 -1.32 0.00 0.00 176.35 173.14 1bfi n PRO 4 N 4.67 0.00 0.03 0.98 -0.02 -1.26 -0.89 135.00 138.51 1bfi n PRO 4 Ca -0.17 0.25 0.12 0.00 -2.02 0.00 0.00 63.50 61.68 1bfi n PRO 4 Cb 0.47 -1.56 0.22 0.00 -0.02 0.00 0.00 33.50 32.62 1bfi n PRO 4 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bfi n HIS 5 N -1.21 0.30 -0.33 6.00 8.25 -1.26 -3.94 115.22 123.02 1bfi n HIS 5 Ca 0.00 0.09 -0.04 0.00 -0.26 0.00 0.00 57.72 57.51 1bfi n HIS 5 Cb 0.06 -0.49 0.09 0.00 1.12 0.00 0.00 29.99 30.77 1bfi n HIS 5 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1bfi h HIS 6 N 0.00 1.19 -3.30 4.41 3.86 -1.42 -3.40 115.15 116.49 1bfi h HIS 6 Ca 0.00 -0.01 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 1bfi h HIS 6 Cb 0.64 -0.39 -0.21 0.00 1.06 0.00 0.00 27.41 28.50 1bfi h HIS 6 CO 0.00 0.80 -0.66 -0.51 0.86 0.00 0.00 177.93 178.41 1bfi s ASP 7 N -6.14 4.81 0.00 2.45 1.01 -1.25 -4.97 116.67 112.58 1bfi s ASP 7 Ca -0.13 -0.12 0.20 0.00 0.71 0.00 0.00 52.55 53.21 1bfi s ASP 7 Cb 0.17 -1.78 0.95 0.00 1.01 0.00 0.00 42.92 43.27 1bfi s ASP 7 CO 0.82 0.17 1.64 -1.84 0.21 0.00 0.00 175.17 176.17 1bfi n GLU 8 N 3.50 0.16 -0.14 8.23 0.00 -1.26 -3.11 120.64 128.01 1bfi n GLU 8 Ca -0.17 0.12 0.01 0.00 0.00 0.00 0.00 57.16 57.12 1bfi n GLU 8 Cb 0.52 -1.50 0.29 0.00 0.00 0.00 0.00 31.44 30.75 1bfi n GLU 8 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 1bfi h LYS 9 N 0.00 0.84 -0.18 3.44 2.10 -1.90 5.11 116.57 125.98 1bfi h LYS 9 Ca 0.00 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 1bfi h LYS 9 Cb 0.26 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 1bfi h LYS 9 CO 0.00 0.58 0.04 1.79 -2.00 0.00 0.00 179.45 179.86 1bfi h THR 10 N 0.86 1.10 0.00 0.07 1.35 -1.77 -3.21 112.91 111.30 1bfi h THR 10 Ca 0.23 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1bfi h THR 10 Cb -0.04 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1bfi h THR 10 CO -0.04 0.12 -0.24 -2.67 -0.25 0.00 0.00 175.52 172.43 1bfi n TRP 11 N -4.43 0.00 -3.03 4.73 4.27 -0.75 -0.36 117.44 117.88 1bfi n TRP 11 Ca -0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 1bfi n TRP 11 Cb 0.14 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.03 1bfi n TRP 11 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1bfi s ASN 12 N -1.17 6.55 -0.04 -0.67 2.47 1.66 0.30 114.94 124.05 1bfi s ASN 12 Ca 0.00 0.46 0.25 0.00 0.42 0.00 0.00 52.86 54.00 1bfi s ASN 12 Cb 0.00 -2.37 0.44 0.00 -1.45 0.00 0.00 41.25 37.88 1bfi s ASN 12 CO 0.00 -0.58 1.16 0.55 -3.72 0.00 0.00 177.10 174.51 1bfi n VAL 13 N 5.52 0.21 0.11 -5.21 3.14 -0.93 -4.59 118.33 116.58 1bfi n VAL 13 Ca 0.01 -1.32 0.14 0.00 -2.96 0.00 0.00 64.34 60.22 1bfi n VAL 13 Cb 0.48 1.05 0.33 0.00 -1.06 0.00 0.00 33.84 34.64 1bfi n VAL 13 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1bfi h GLY 14 N 1.26 0.00 1.40 7.55 0.00 -1.89 0.84 103.07 112.22 1bfi h GLY 14 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1bfi h GLY 14 CO 0.11 0.00 -0.26 1.76 0.00 0.00 0.00 176.54 178.15 1bfi h SER 15 N 0.00 0.70 -4.05 0.19 0.02 -1.92 -3.43 113.55 105.07 1bfi h SER 15 Ca 0.20 -0.26 -0.53 0.00 -0.84 0.00 0.00 61.79 60.36 1bfi h SER 15 Cb 2.10 -0.19 0.10 0.00 0.14 0.00 0.00 62.40 64.54 1bfi h SER 15 CO -0.00 0.94 0.51 -0.55 -1.14 0.00 0.00 176.83 176.59 1bfi s SER 16 N -6.78 5.59 0.56 3.07 0.15 0.29 -5.01 113.70 111.56 1bfi s SER 16 Ca -0.09 2.46 -0.06 0.00 0.70 0.00 0.00 55.95 58.97 1bfi s SER 16 Cb 0.13 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1bfi s SER 16 CO 0.83 -1.33 0.87 0.20 1.20 0.00 0.00 173.24 175.01 1bfi s ASN 17 N -1.33 5.76 0.24 5.45 0.01 -1.26 -4.90 114.94 118.91 1bfi s ASN 17 Ca 0.71 0.76 -0.07 0.00 -0.71 0.00 0.00 52.86 53.54 1bfi s ASN 17 Cb -0.32 -1.83 0.23 0.00 0.41 0.00 0.00 41.25 39.74 1bfi s ASN 17 CO 0.38 -0.94 1.92 0.03 -1.51 0.00 0.00 177.10 176.97 1bfi h ARG 18 N -0.07 1.24 -0.71 -0.60 3.08 -1.95 -1.18 114.38 114.20 1bfi h ARG 18 Ca -0.46 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.52 1bfi h ARG 18 Cb 1.24 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1bfi h ARG 18 CO 0.61 0.82 0.47 -0.91 -1.07 0.00 0.00 179.97 179.89 1bfi h ASN 19 N 1.28 0.81 0.27 7.04 4.21 -2.02 -0.05 115.58 127.14 1bfi h ASN 19 Ca 0.35 -0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.79 1bfi h ASN 19 Cb -0.15 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 36.84 1bfi h ASN 19 CO -0.07 0.59 -0.21 0.50 -1.29 0.00 0.00 177.43 176.94 1bfi h LYS 20 N 0.96 0.00 -0.84 0.81 3.64 -1.77 -2.17 116.57 117.20 1bfi h LYS 20 Ca 0.26 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 1bfi h LYS 20 Cb -0.11 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.66 1bfi h LYS 20 CO -0.06 0.21 0.54 0.00 -2.27 0.00 0.00 179.45 177.87 1bfi h ALA 21 N 1.79 1.11 -0.49 5.00 0.00 0.20 0.28 119.26 127.14 1bfi h ALA 21 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1bfi h ALA 21 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1bfi h ALA 21 CO 0.03 0.35 0.29 0.93 0.00 0.00 0.00 179.25 180.85 1bfi h GLU 22 N 1.03 0.68 -0.37 0.00 5.08 -1.16 1.26 114.58 121.10 1bfi h GLU 22 Ca 0.34 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1bfi h GLU 22 Cb 0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1bfi h GLU 22 CO -0.12 0.51 0.23 -0.91 -1.00 0.00 0.00 179.01 177.72 1bfi h ASN 23 N 0.66 0.43 -0.79 1.42 -0.26 -1.21 1.68 115.58 117.50 1bfi h ASN 23 Ca 0.18 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.84 1bfi h ASN 23 Cb 0.01 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.13 1bfi h ASN 23 CO -0.03 0.33 0.32 -0.07 -1.06 0.00 0.00 177.43 176.92 1bfi h LEU 24 N 0.49 1.09 -0.67 1.61 3.38 0.30 -1.95 115.31 119.55 1bfi h LEU 24 Ca 0.13 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1bfi h LEU 24 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1bfi h LEU 24 CO -0.03 0.97 -0.62 -0.07 0.09 0.00 0.00 178.44 178.78 1bfi h LEU 25 N 1.15 0.19 -9.64 1.67 3.38 0.25 -3.40 115.31 108.91 1bfi h LEU 25 Ca 0.27 -0.11 -0.53 0.00 0.09 0.00 0.00 57.88 57.60 1bfi h LEU 25 Cb 0.21 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 40.94 1bfi h LEU 25 CO -0.02 0.76 0.71 -0.13 0.09 0.00 0.00 178.44 179.85 1bfi s ARG 26 N -3.70 4.33 0.00 1.13 3.00 0.56 -2.12 118.95 122.16 1bfi s ARG 26 Ca -0.03 2.13 0.00 0.00 0.00 0.00 0.00 55.73 57.83 1bfi s ARG 26 Cb 0.12 -3.20 0.00 0.00 0.00 0.00 0.00 34.95 31.88 1bfi s ARG 26 CO 0.79 -0.37 0.00 0.41 0.00 0.00 0.00 175.30 176.12 1bfi n GLY 27 N 2.84 0.56 3.55 -3.53 0.00 -1.26 -4.88 105.19 102.47 1bfi n GLY 27 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1bfi n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bfi s LYS 28 N -0.11 3.42 0.87 1.61 -0.14 -0.90 -5.10 119.74 119.39 1bfi s LYS 28 Ca 0.00 -0.50 -0.12 0.00 -1.36 0.00 0.00 55.97 53.99 1bfi s LYS 28 Cb 0.00 -2.85 0.12 0.00 -1.68 0.00 0.00 37.83 33.42 1bfi s LYS 28 CO 0.00 0.39 1.13 -0.98 -0.76 0.00 0.00 175.35 175.13 1bfi s ARG 29 N -0.04 1.45 0.39 1.68 1.70 -1.26 -4.90 118.95 117.96 1bfi s ARG 29 Ca 0.02 0.34 -0.27 0.00 -0.47 0.00 0.00 55.73 55.35 1bfi s ARG 29 Cb -0.13 -1.87 -0.10 0.00 -0.57 0.00 0.00 34.95 32.27 1bfi s ARG 29 CO 0.02 -2.00 1.44 -3.47 -1.08 0.00 0.00 175.30 170.21 1bfi n ASP 30 N -3.64 3.47 0.00 -2.89 -0.08 -1.26 -2.74 116.55 109.42 1bfi n ASP 30 Ca 0.07 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.54 1bfi n ASP 30 Cb 0.59 -1.59 0.00 0.00 2.34 0.00 0.00 41.12 42.46 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bfi n GLY 31 N 0.54 2.21 3.67 0.27 0.00 -1.17 -5.00 105.19 105.70 1bfi n GLY 31 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1bfi n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bfi s THR 32 N -2.25 3.16 0.01 2.61 2.01 -1.11 -2.02 115.64 118.06 1bfi s THR 32 Ca 0.00 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1bfi s THR 32 Cb 0.00 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 1bfi s THR 32 CO 0.00 -0.02 -0.04 0.12 -0.69 0.00 0.00 174.62 173.99 1bfi s PHE 33 N 3.81 0.31 0.05 4.92 2.19 0.41 -2.13 117.98 127.54 1bfi s PHE 33 Ca 0.80 -0.28 -0.04 0.00 0.33 0.00 0.00 56.93 57.73 1bfi s PHE 33 Cb -0.39 -0.20 -0.02 0.00 -1.31 0.00 0.00 43.02 41.10 1bfi s PHE 33 CO 0.35 -0.08 0.07 -0.48 1.83 0.00 0.00 175.22 176.91 1bfi s LEU 34 N -0.80 1.99 -0.10 6.12 2.34 0.80 -1.23 118.68 127.79 1bfi s LEU 34 Ca -0.07 -0.74 -0.04 0.00 0.06 0.00 0.00 54.13 53.34 1bfi s LEU 34 Cb -0.06 0.53 -0.04 0.00 -0.56 0.00 0.00 46.19 46.07 1bfi s LEU 34 CO -0.00 -0.59 0.06 -0.69 -1.06 0.00 0.00 176.35 174.07 1bfi s VAL 35 N -3.38 4.81 0.15 1.48 1.01 0.89 0.03 120.40 125.39 1bfi s VAL 35 Ca 0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 1bfi s VAL 35 Cb 0.03 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 1bfi s VAL 35 CO -0.08 0.60 0.28 -0.60 0.00 0.00 0.00 175.10 175.30 1bfi s ARG 36 N -0.88 1.10 0.68 2.72 6.06 0.33 -2.19 118.95 126.76 1bfi s ARG 36 Ca 0.13 -1.11 -0.05 0.00 -2.50 0.00 0.00 55.73 52.21 1bfi s ARG 36 Cb -0.12 0.38 0.06 0.00 0.06 0.00 0.00 34.95 35.33 1bfi s ARG 36 CO 0.03 -0.40 0.97 -1.21 -2.50 0.00 0.00 175.30 172.19 1bfi s GLU 37 N -3.94 2.24 0.00 5.12 0.41 -1.25 0.48 118.70 121.75 1bfi s GLU 37 Ca 0.14 -0.38 0.00 0.00 -0.41 0.00 0.00 54.97 54.32 1bfi s GLU 37 Cb 0.03 -2.23 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 1bfi s GLU 37 CO -0.03 -1.15 0.73 -1.13 -0.49 0.00 0.00 175.26 173.19 1bfi n SER 38 N -2.82 0.26 0.00 -0.19 3.41 1.36 -4.32 113.62 111.33 1bfi n SER 38 Ca 0.08 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 1bfi n SER 38 Cb 0.60 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1bfi n SER 38 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1bfi n SER 39 N -0.33 0.00 -0.52 4.04 2.88 -1.26 -3.76 113.62 114.67 1bfi n SER 39 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1bfi n SER 39 Cb 0.06 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 63.98 1bfi n SER 39 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1bfi n LYS 40 N 5.24 1.70 0.16 -1.46 5.02 -1.26 -3.98 118.16 123.58 1bfi n LYS 40 Ca 0.00 -1.04 0.01 0.00 -2.02 0.00 0.00 58.31 55.26 1bfi n LYS 40 Cb 0.00 -1.44 0.27 0.00 -0.02 0.00 0.00 35.03 33.84 1bfi n LYS 40 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1bfi h GLN 41 N 2.33 0.01 0.00 1.97 1.08 -1.97 -3.46 115.11 115.06 1bfi h GLN 41 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1bfi h GLN 41 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1bfi h GLN 41 CO 0.00 0.49 0.00 0.41 -0.95 0.00 0.00 178.83 178.78 1bfi n GLY 42 N -0.16 1.25 3.92 3.46 0.00 -1.26 -5.06 105.19 107.35 1bfi n GLY 42 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1bfi n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bfi s TYR 44 N -2.60 3.18 -0.21 0.00 2.02 -1.04 0.41 117.35 119.10 1bfi s TYR 44 Ca 0.45 -0.04 -0.27 0.00 -0.37 0.00 0.00 57.07 56.84 1bfi s TYR 44 Cb -0.10 -1.49 0.09 0.00 -0.40 0.00 0.00 41.96 40.07 1bfi s TYR 44 CO 0.42 0.52 0.83 0.00 -1.57 0.00 0.00 175.55 175.74 1bfi s ALA 45 N -1.90 -1.85 0.01 3.71 0.00 0.18 0.54 121.76 122.44 1bfi s ALA 45 Ca 0.32 1.78 0.06 0.00 0.00 0.00 0.00 51.96 54.11 1bfi s ALA 45 Cb -0.09 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1bfi s ALA 45 CO 0.25 -0.31 -0.16 0.00 0.00 0.00 0.00 175.76 175.53 1bfi s SER 47 N -1.21 4.20 0.10 0.00 1.04 0.10 0.28 113.70 118.22 1bfi s SER 47 Ca 0.14 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 56.12 1bfi s SER 47 Cb -0.11 -0.84 0.03 0.00 0.10 0.00 0.00 66.02 65.21 1bfi s SER 47 CO 0.04 0.27 0.39 0.54 0.98 0.00 0.00 173.24 175.45 1bfi s VAL 48 N -0.96 0.07 -0.05 5.02 0.11 -0.79 -0.14 120.40 123.65 1bfi s VAL 48 Ca 0.16 -0.59 -0.07 0.00 -2.93 0.00 0.00 61.98 58.55 1bfi s VAL 48 Cb -0.11 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.58 1bfi s VAL 48 CO 0.06 -0.33 0.21 -0.69 -3.33 0.00 0.00 175.10 171.02 1bfi s VAL 49 N -3.45 5.40 -0.03 2.04 1.01 -0.90 -1.98 120.40 122.49 1bfi s VAL 49 Ca 0.01 0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 1bfi s VAL 49 Cb 0.01 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.94 1bfi s VAL 49 CO -0.09 0.49 0.52 0.54 0.00 0.00 0.00 175.10 176.55 1bfi s VAL 50 N -1.17 0.03 -0.57 2.92 0.11 -0.42 -3.06 120.40 118.23 1bfi s VAL 50 Ca 0.22 -0.21 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 1bfi s VAL 50 Cb -0.13 -0.85 0.07 0.00 -1.53 0.00 0.00 36.38 33.94 1bfi s VAL 50 CO 0.11 -0.12 0.18 -0.67 -3.33 0.00 0.00 175.10 171.28 1bfi n ASP 51 N 0.99 -1.06 0.00 3.54 -0.08 -1.26 0.27 116.55 118.95 1bfi n ASP 51 Ca -0.20 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 52.95 1bfi n ASP 51 Cb 0.57 -0.99 0.00 0.00 2.34 0.00 0.00 41.12 43.04 1bfi n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bfi n GLY 52 N -0.61 0.79 3.10 0.27 0.00 -1.26 -5.01 105.19 102.47 1bfi n GLY 52 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1bfi n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bfi s GLU 53 N -0.07 1.67 -0.03 1.61 2.02 0.76 -5.11 118.70 119.54 1bfi s GLU 53 Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 54.97 54.17 1bfi s GLU 53 Cb 0.00 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.76 1bfi s GLU 53 CO 0.00 0.19 0.93 0.08 0.02 0.00 0.00 175.26 176.48 1bfi s VAL 54 N 0.16 4.89 0.06 2.63 1.01 -1.26 -1.30 120.40 126.58 1bfi s VAL 54 Ca -0.06 1.93 0.05 0.00 0.00 0.00 0.00 61.98 63.90 1bfi s VAL 54 Cb -0.12 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1bfi s VAL 54 CO 0.02 0.15 -0.14 -0.54 0.00 0.00 0.00 175.10 174.60 1bfi s LYS 55 N 1.15 0.84 -0.39 2.72 3.01 -0.84 -4.97 119.74 121.27 1bfi s LYS 55 Ca 0.48 -0.85 -0.09 0.00 -1.01 0.00 0.00 55.97 54.50 1bfi s LYS 55 Cb -0.20 -0.84 0.06 0.00 -1.01 0.00 0.00 37.83 35.84 1bfi s LYS 55 CO 0.24 0.19 0.20 -1.01 0.51 0.00 0.00 175.35 175.49 1bfi s HIS 56 N -1.09 3.30 0.05 3.18 3.76 -1.26 -1.89 115.29 121.35 1bfi s HIS 56 Ca -0.01 -1.42 -0.31 0.00 -0.15 0.00 0.00 55.06 53.17 1bfi s HIS 56 Cb -0.09 -2.67 -0.07 0.00 1.11 0.00 0.00 32.58 30.86 1bfi s HIS 56 CO 0.02 -0.78 1.45 0.00 -0.85 0.00 0.00 174.74 174.58 1bfi s VAL 58 N 2.03 5.20 -0.13 0.00 1.01 -1.26 0.19 120.40 127.44 1bfi s VAL 58 Ca 0.66 0.82 -0.03 0.00 0.00 0.00 0.00 61.98 63.43 1bfi s VAL 58 Cb -0.35 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1bfi s VAL 58 CO 0.29 0.38 -0.03 -0.63 0.00 0.00 0.00 175.10 175.11 1bfi s ILE 59 N 0.34 3.98 -0.12 2.22 -1.09 0.19 -4.31 121.20 122.42 1bfi s ILE 59 Ca 0.23 -0.34 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 1bfi s ILE 59 Cb -0.15 -2.71 0.01 0.00 -1.58 0.00 0.00 42.46 38.03 1bfi s ILE 59 CO 0.09 0.53 -0.21 0.20 -1.23 0.00 0.00 174.94 174.31 1bfi s ASN 60 N -0.04 2.95 -0.20 3.58 0.02 1.02 -2.50 114.94 119.76 1bfi s ASN 60 Ca 0.02 -0.55 -0.07 0.00 -1.02 0.00 0.00 52.86 51.24 1bfi s ASN 60 Cb -0.13 -1.36 -0.03 0.00 0.02 0.00 0.00 41.25 39.75 1bfi s ASN 60 CO 0.02 0.10 0.04 -0.75 0.02 0.00 0.00 177.10 176.54 1bfi s LYS 61 N 0.67 3.78 0.39 -0.60 2.20 -1.16 -0.13 119.74 124.89 1bfi s LYS 61 Ca -0.11 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.09 1bfi s LYS 61 Cb -0.16 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1bfi s LYS 61 CO 0.02 0.07 0.08 0.99 -0.36 0.00 0.00 175.35 176.15 1bfi s THR 62 N 0.90 0.94 0.45 3.43 2.01 -1.25 -4.87 115.64 117.25 1bfi s THR 62 Ca 0.03 -2.00 0.40 0.00 0.31 0.00 0.00 61.69 60.43 1bfi s THR 62 Cb -0.14 -2.51 0.59 0.00 0.01 0.00 0.00 72.50 70.45 1bfi s THR 62 CO 0.02 0.00 1.27 0.00 -0.69 0.00 0.00 174.62 175.22 1bfi n ALA 63 N -0.88 1.53 -2.85 7.40 0.00 -1.26 -1.61 120.51 122.83 1bfi n ALA 63 Ca -0.06 0.54 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 1bfi n ALA 63 Cb 0.66 -0.92 0.06 0.00 0.00 0.00 0.00 19.45 19.24 1bfi n ALA 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bfi n THR 64 N -3.59 0.00 -3.36 0.00 -1.04 -1.26 -5.13 114.28 99.90 1bfi n THR 64 Ca 0.36 -2.46 0.00 0.00 -2.04 0.00 0.00 64.05 59.91 1bfi n THR 64 Cb 1.63 0.90 0.00 0.00 -1.82 0.00 0.00 70.33 71.04 1bfi n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bfi n GLY 65 N 0.21 3.07 1.63 3.41 0.00 -0.64 -5.05 105.19 107.82 1bfi n GLY 65 Ca 0.11 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1bfi n GLY 65 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bfi n TYR 66 N 0.00 -3.93 -3.47 1.61 9.36 0.81 -3.75 117.16 117.79 1bfi n TYR 66 Ca 0.00 1.10 0.00 0.00 3.32 0.00 0.00 57.90 62.32 1bfi n TYR 66 Cb 0.00 2.87 0.00 0.00 -0.63 0.00 0.00 39.34 41.58 1bfi n TYR 66 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1bfi n GLY 67 N -1.39 5.50 3.76 2.98 0.00 -1.04 0.33 105.19 115.34 1bfi n GLY 67 Ca 0.00 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 1bfi n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bfi s PHE 68 N 0.03 2.74 0.32 1.61 -0.71 -1.26 -4.33 117.98 116.39 1bfi s PHE 68 Ca 0.00 1.47 -0.25 0.00 -1.04 0.00 0.00 56.93 57.11 1bfi s PHE 68 Cb 0.00 -3.54 -0.10 0.00 -1.21 0.00 0.00 43.02 38.17 1bfi s PHE 68 CO 0.00 -1.94 0.92 0.00 -1.34 0.00 0.00 175.22 172.86 1bfi s ALA 69 N -1.41 3.22 0.13 1.99 0.00 -1.26 -4.88 121.76 119.53 1bfi s ALA 69 Ca 0.63 0.48 0.04 0.00 0.00 0.00 0.00 51.96 53.11 1bfi s ALA 69 Cb -0.34 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1bfi s ALA 69 CO 0.41 0.19 -0.10 -1.21 0.00 0.00 0.00 175.76 175.05 1bfi s GLU 70 N -2.14 0.97 0.42 0.00 0.41 -1.26 -4.97 118.70 112.13 1bfi s GLU 70 Ca 0.50 -1.36 0.15 0.00 -0.41 0.00 0.00 54.97 53.86 1bfi s GLU 70 Cb -0.18 -0.53 0.52 0.00 -1.78 0.00 0.00 34.13 32.17 1bfi s GLU 70 CO 0.23 0.06 0.86 -2.30 -0.49 0.00 0.00 175.26 173.61 1bfi n PRO 71 N 0.02 0.01 -4.14 0.39 -0.02 -1.26 -3.44 135.00 126.56 1bfi n PRO 71 Ca -0.12 0.69 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 1bfi n PRO 71 Cb 0.60 -1.75 -0.15 0.00 -0.02 0.00 0.00 33.50 32.18 1bfi n PRO 71 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1bfi s TYR 72 N -3.58 2.88 0.90 6.00 2.02 -1.26 -5.09 117.35 119.22 1bfi s TYR 72 Ca -0.01 -1.06 -0.16 0.00 -0.37 0.00 0.00 57.07 55.47 1bfi s TYR 72 Cb 0.08 -2.00 -0.10 0.00 -0.40 0.00 0.00 41.96 39.53 1bfi s TYR 72 CO 0.27 -0.55 -0.35 0.27 -1.57 0.00 0.00 175.55 173.62 1bfi n ASN 73 N 4.49 -4.49 -4.18 2.29 6.94 -1.22 -4.90 115.26 114.20 1bfi n ASN 73 Ca -0.19 0.31 -0.29 0.00 -0.02 0.00 0.00 54.58 54.39 1bfi n ASN 73 Cb 0.51 -0.90 0.22 0.00 -2.36 0.00 0.00 39.78 37.25 1bfi n ASN 73 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1bfi s LEU 74 N 5.00 0.92 0.43 -4.53 1.43 -1.26 -4.89 118.68 115.79 1bfi s LEU 74 Ca 0.48 0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 54.32 1bfi s LEU 74 Cb -0.24 -2.80 -0.09 0.00 0.03 0.00 0.00 46.19 43.09 1bfi s LEU 74 CO 0.75 -3.84 0.89 -0.31 0.23 0.00 0.00 176.35 174.07 1bfi s TYR 75 N -2.92 3.40 -0.03 0.29 2.02 -1.26 -4.98 117.35 113.87 1bfi s TYR 75 Ca 0.68 1.38 0.23 0.00 -0.37 0.00 0.00 57.07 59.00 1bfi s TYR 75 Cb -0.14 -2.69 0.69 0.00 -0.40 0.00 0.00 41.96 39.41 1bfi s TYR 75 CO 0.57 -0.16 1.73 0.66 -1.57 0.00 0.00 175.55 176.78 1bfi h SER 76 N 1.52 0.00 -4.18 2.29 4.64 -1.97 -3.45 113.55 112.40 1bfi h SER 76 Ca -0.48 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.16 1bfi h SER 76 Cb 1.18 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.02 1bfi h SER 76 CO 0.63 0.22 -0.87 -0.94 -0.87 0.00 0.00 176.83 174.99 1bfi s SER 77 N -6.19 3.14 0.18 4.97 1.04 -1.26 -5.02 113.70 110.56 1bfi s SER 77 Ca 0.02 -0.64 -0.13 0.00 0.48 0.00 0.00 55.95 55.69 1bfi s SER 77 Cb 0.09 -0.26 0.09 0.00 0.10 0.00 0.00 66.02 66.04 1bfi s SER 77 CO 0.65 0.22 1.84 -0.07 0.98 0.00 0.00 173.24 176.87 1bfi h LEU 78 N 4.50 0.70 -0.64 2.42 3.38 -2.00 -1.37 115.31 122.30 1bfi h LEU 78 Ca -0.47 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1bfi h LEU 78 Cb 1.15 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1bfi h LEU 78 CO 0.42 0.52 0.38 0.11 0.09 0.00 0.00 178.44 179.96 1bfi h LYS 79 N 0.82 0.88 -0.77 1.13 1.57 -1.95 -2.03 116.57 116.21 1bfi h LYS 79 Ca 0.22 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1bfi h LYS 79 Cb -0.08 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 1bfi h LYS 79 CO -0.05 0.64 0.27 1.49 -0.57 0.00 0.00 179.45 181.24 1bfi h GLU 80 N 0.87 1.18 -0.47 3.15 4.81 -1.85 -1.46 114.58 120.81 1bfi h GLU 80 Ca 0.23 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1bfi h GLU 80 Cb -0.01 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1bfi h GLU 80 CO -0.04 0.98 0.27 1.25 -0.73 0.00 0.00 179.01 180.74 1bfi h LEU 81 N 1.13 0.58 -0.86 1.64 6.46 -0.77 -0.97 115.31 122.52 1bfi h LEU 81 Ca 0.25 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.88 1bfi h LEU 81 Cb 0.27 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1bfi h LEU 81 CO -0.01 0.49 0.18 0.58 -0.62 0.00 0.00 178.44 179.06 1bfi h VAL 82 N 0.63 1.25 -0.24 1.05 2.07 -1.12 -1.95 116.25 117.94 1bfi h VAL 82 Ca 0.17 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1bfi h VAL 82 Cb 0.03 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1bfi h VAL 82 CO -0.03 0.34 0.08 0.25 0.02 0.00 0.00 177.57 178.23 1bfi h LEU 83 N 0.98 0.35 -0.48 2.57 5.85 -0.70 -2.62 115.31 121.26 1bfi h LEU 83 Ca 0.21 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 1bfi h LEU 83 Cb 0.31 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1bfi h LEU 83 CO -0.00 0.46 -0.18 0.45 -0.34 0.00 0.00 178.44 178.83 1bfi h HIS 84 N 0.23 1.11 0.00 1.25 3.86 -1.06 -2.83 115.15 117.70 1bfi h HIS 84 Ca 0.08 -0.26 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 1bfi h HIS 84 Cb 0.23 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1bfi h HIS 84 CO 0.00 1.07 -0.06 1.88 0.86 0.00 0.00 177.93 181.69 1bfi h TYR 85 N 0.83 0.00 0.00 2.45 -1.99 -1.29 -0.29 116.97 116.68 1bfi h TYR 85 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1bfi h TYR 85 Cb 0.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.48 1bfi h TYR 85 CO 0.05 0.06 0.00 0.00 -0.00 0.00 0.00 178.16 178.27 1bfi n GLN 86 N -4.34 0.15 -0.09 4.88 -0.00 -1.00 -2.65 117.38 114.34 1bfi n GLN 86 Ca -0.03 0.44 -0.09 0.00 -0.00 0.00 0.00 57.00 57.32 1bfi n GLN 86 Cb 0.14 -1.82 -0.13 0.00 -0.00 0.00 0.00 30.24 28.43 1bfi n GLN 86 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1bfi n HIS 87 N -2.11 0.00 -3.17 2.61 -0.00 -0.17 -4.35 115.22 108.03 1bfi n HIS 87 Ca 0.02 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.82 1bfi n HIS 87 Cb 0.18 -0.84 -0.06 0.00 -0.12 0.00 0.00 29.99 29.15 1bfi n HIS 87 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1bfi s THR 88 N -2.41 4.62 -0.18 3.57 2.01 -0.90 -4.99 115.64 117.35 1bfi s THR 88 Ca -0.11 1.32 -0.21 0.00 0.31 0.00 0.00 61.69 63.00 1bfi s THR 88 Cb 0.05 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 1bfi s THR 88 CO 0.68 0.46 0.64 -0.44 -0.69 0.00 0.00 174.62 175.26 1bfi s SER 89 N -1.28 6.72 0.23 3.53 0.01 -1.26 -4.37 113.70 117.28 1bfi s SER 89 Ca 0.34 0.88 -0.08 0.00 1.31 0.00 0.00 55.95 58.40 1bfi s SER 89 Cb -0.20 -2.36 0.21 0.00 0.21 0.00 0.00 66.02 63.89 1bfi s SER 89 CO 0.21 -0.26 1.88 -0.07 0.41 0.00 0.00 173.24 175.42 1bfi h LEU 90 N 8.04 1.07 0.00 2.44 3.38 -0.86 -3.42 115.31 125.96 1bfi h LEU 90 Ca -0.32 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1bfi h LEU 90 Cb 1.15 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1bfi h LEU 90 CO 0.78 0.82 0.00 0.52 0.09 0.00 0.00 178.44 180.64 1bfi n VAL 91 N -4.40 0.00 -4.05 1.22 0.31 2.00 -4.77 118.33 108.63 1bfi n VAL 91 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1bfi n VAL 91 Cb 0.05 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1bfi n VAL 91 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bfi n GLN 92 N 0.00 0.00 -0.24 5.55 6.02 -1.26 -3.15 117.38 124.30 1bfi n GLN 92 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1bfi n GLN 92 Cb 0.00 0.00 0.13 0.00 1.02 0.00 0.00 30.24 31.39 1bfi n GLN 92 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1bfi h HIS 93 N 0.00 0.63 -1.39 1.08 3.86 -2.02 -3.24 115.15 114.07 1bfi h HIS 93 Ca 0.00 0.03 -0.60 0.00 -1.16 0.00 0.00 60.37 58.63 1bfi h HIS 93 Cb 0.00 -0.18 -0.11 0.00 1.06 0.00 0.00 27.41 28.18 1bfi h HIS 93 CO 0.00 0.24 1.37 -0.80 0.86 0.00 0.00 177.93 179.60 1bfi s ASN 94 N -5.51 6.48 0.00 2.45 -0.87 -1.20 -4.79 114.94 111.49 1bfi s ASN 94 Ca -0.13 -1.41 0.00 0.00 -1.57 0.00 0.00 52.86 49.76 1bfi s ASN 94 Cb 0.17 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 1bfi s ASN 94 CO 0.76 -1.49 0.54 -0.67 -2.57 0.00 0.00 177.10 173.67 1bfi n ASP 95 N 8.67 0.00 -0.46 -1.22 2.03 -1.23 0.47 116.55 124.81 1bfi n ASP 95 Ca 0.29 0.08 0.14 0.00 0.52 0.00 0.00 54.79 55.82 1bfi n ASP 95 Cb 0.51 -0.08 0.53 0.00 -0.72 0.00 0.00 41.12 41.36 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1bfi n SER 96 N -1.04 1.46 -1.27 1.67 3.41 -1.26 -3.84 113.62 112.75 1bfi n SER 96 Ca 0.00 -1.48 -0.05 0.00 -0.26 0.00 0.00 58.87 57.09 1bfi n SER 96 Cb 0.37 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1bfi n SER 96 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bfi n LEU 97 N 0.13 3.89 -2.55 1.04 4.77 0.18 -4.35 117.00 120.11 1bfi n LEU 97 Ca 0.19 -1.97 -0.18 0.00 -0.03 0.00 0.00 56.01 54.01 1bfi n LEU 97 Cb 0.35 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 1bfi n LEU 97 CO 0.17 0.65 2.02 -0.46 -1.33 0.00 0.00 177.39 178.43 1bfi n ASN 98 N 0.26 5.39 -4.14 -1.43 0.23 -1.25 0.52 115.26 114.83 1bfi n ASN 98 Ca 0.11 -2.36 -0.16 0.00 -0.53 0.00 0.00 54.58 51.64 1bfi n ASN 98 Cb 0.71 -1.24 -0.12 0.00 -2.08 0.00 0.00 39.78 37.06 1bfi n ASN 98 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1bfi s VAL 99 N 1.89 0.93 0.12 3.53 0.11 -1.26 -4.86 120.40 120.86 1bfi s VAL 99 Ca 0.55 -1.30 0.08 0.00 -2.93 0.00 0.00 61.98 58.38 1bfi s VAL 99 Cb 0.22 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1bfi s VAL 99 CO -0.02 -0.32 -0.13 0.42 -3.33 0.00 0.00 175.10 171.72 1bfi s THR 100 N -1.49 3.16 -0.87 5.04 -4.23 -1.26 -2.27 115.64 113.72 1bfi s THR 100 Ca -0.03 -1.41 -0.18 0.00 -1.18 0.00 0.00 61.69 58.89 1bfi s THR 100 Cb -0.09 -2.49 -0.12 0.00 1.34 0.00 0.00 72.50 71.15 1bfi s THR 100 CO 0.01 0.07 2.00 0.18 -0.54 0.00 0.00 174.62 176.35 1bfi n LEU 101 N 0.63 4.57 -0.06 4.79 4.77 -1.08 -4.39 117.00 126.23 1bfi n LEU 101 Ca -0.14 -3.03 -0.00 0.00 -0.03 0.00 0.00 56.01 52.81 1bfi n LEU 101 Cb 0.53 -1.17 -0.16 0.00 -2.33 0.00 0.00 43.42 40.29 1bfi n LEU 101 CO 0.32 -0.01 -0.96 0.00 -1.33 0.00 0.00 177.39 175.41 1bfi n ALA 102 N 6.70 2.10 -3.83 -1.18 0.00 -1.26 -3.95 120.51 119.08 1bfi n ALA 102 Ca 0.49 -0.92 -0.34 0.00 0.00 0.00 0.00 53.44 52.67 1bfi n ALA 102 Cb 0.35 -0.42 -0.13 0.00 0.00 0.00 0.00 19.45 19.25 1bfi n ALA 102 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1bfi s TYR 103 N -2.92 3.50 0.91 0.00 1.51 -0.85 -5.02 117.35 114.47 1bfi s TYR 103 Ca -0.09 -2.39 -0.11 0.00 -1.01 0.00 0.00 57.07 53.47 1bfi s TYR 103 Cb 0.09 -2.68 0.11 0.00 -0.11 0.00 0.00 41.96 39.37 1bfi s TYR 103 CO 0.83 -0.91 0.96 -2.30 -1.11 0.00 0.00 175.55 173.02 1bfi n PRO 104 N 4.50 -0.34 0.09 -1.71 -0.02 -1.26 0.16 135.00 136.42 1bfi n PRO 104 Ca -0.05 -0.04 -0.04 0.00 -2.02 0.00 0.00 63.50 61.36 1bfi n PRO 104 Cb 0.42 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1bfi n PRO 104 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1bfi h VAL 105 N -1.68 1.45 -0.40 -1.45 3.04 -0.39 -3.20 116.25 113.63 1bfi h VAL 105 Ca -0.44 -2.90 -0.21 0.00 -1.01 0.00 0.00 66.70 62.15 1bfi h VAL 105 Cb 1.28 2.62 -0.12 0.00 -2.01 0.00 0.00 31.29 33.05 1bfi h VAL 105 CO 0.40 0.79 -0.04 -1.22 -1.01 0.00 0.00 177.57 176.49 1bfi n TYR 106 N -3.39 1.22 -1.75 3.17 4.01 0.52 -5.03 117.16 115.90 1bfi n TYR 106 Ca 0.00 -1.64 -0.41 0.00 -0.16 0.00 0.00 57.90 55.70 1bfi n TYR 106 Cb 0.83 -0.53 0.01 0.00 -0.31 0.00 0.00 39.34 39.34 1bfi n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bfi n ALA 107 N -1.13 2.00 -3.39 -0.72 0.00 -1.21 -2.74 120.51 113.32 1bfi n ALA 107 Ca 0.35 0.31 -0.18 0.00 0.00 0.00 0.00 53.44 53.93 1bfi n ALA 107 Cb 1.08 -2.37 0.07 0.00 0.00 0.00 0.00 19.45 18.23 1bfi n ALA 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bfi n GLN 108 N 0.24 -3.96 -3.15 0.00 6.02 -1.26 -4.95 117.38 110.32 1bfi n GLN 108 Ca 0.03 0.81 -0.39 0.00 -0.01 0.00 0.00 57.00 57.44 1bfi n GLN 108 Cb 0.39 -5.66 -0.06 0.00 1.02 0.00 0.00 30.24 25.94 1bfi n GLN 108 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1bfi s GLN 109 N -5.00 4.35 -0.16 -1.09 0.74 -1.11 -5.05 119.66 112.34 1bfi s GLN 109 Ca 0.26 0.87 -0.03 0.00 0.05 0.00 0.00 55.36 56.50 1bfi s GLN 109 Cb -0.04 -3.29 -0.02 0.00 1.10 0.00 0.00 33.01 30.75 1bfi s GLN 109 CO 0.75 0.49 -0.05 0.50 -0.55 0.00 0.00 175.29 176.44 1bfi s ARG 110 N -0.69 3.61 0.00 1.67 3.52 -1.26 -5.17 118.95 120.63 1bfi s ARG 110 Ca 0.32 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1bfi s ARG 110 Cb -0.20 -2.90 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1bfi s ARG 110 CO 0.21 0.19 0.00 -2.13 -0.81 0.00 0.00 175.30 172.75