#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vij s GLN 2 N 0.00 2.66 -0.41 -0.52 0.74 -1.26 -5.04 119.66 115.83 1vij s GLN 2 Ca 0.00 -1.14 -0.18 0.00 0.05 0.00 0.00 55.36 54.10 1vij s GLN 2 Cb 0.00 -3.35 0.02 0.00 1.10 0.00 0.00 33.01 30.77 1vij s GLN 2 CO 0.00 -0.60 0.47 0.42 -0.55 0.00 0.00 175.29 175.03 1vij s ILE 3 N 1.38 5.04 0.23 -2.34 1.01 -1.26 -5.06 121.20 120.21 1vij s ILE 3 Ca -0.02 -0.16 -0.27 0.00 0.00 0.00 0.00 60.65 60.20 1vij s ILE 3 Cb -0.19 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 1vij s ILE 3 CO 0.01 -0.40 0.87 0.42 0.00 0.00 0.00 174.94 175.85 1vij s THR 4 N 2.27 4.23 -0.26 2.92 -4.23 -1.26 -5.01 115.64 114.30 1vij s THR 4 Ca 0.14 1.85 0.02 0.00 -1.18 0.00 0.00 61.69 62.52 1vij s THR 4 Cb -0.16 -4.16 0.34 0.00 1.34 0.00 0.00 72.50 69.85 1vij s THR 4 CO 0.14 0.40 1.58 0.18 -0.54 0.00 0.00 174.62 176.38 1vij n LEU 5 N 1.25 5.26 0.10 4.79 4.77 -1.26 -4.35 117.00 127.57 1vij n LEU 5 Ca -0.02 -2.75 -0.02 0.00 -0.03 0.00 0.00 56.01 53.19 1vij n LEU 5 Cb 0.49 -0.74 0.23 0.00 -2.33 0.00 0.00 43.42 41.06 1vij n LEU 5 CO 0.47 0.87 0.63 -0.50 -1.33 0.00 0.00 177.39 177.53 1vij h TRP 6 N 0.70 0.24 -2.90 -1.77 4.06 -2.04 -3.44 115.95 110.79 1vij h TRP 6 Ca 0.34 -0.07 -0.46 0.00 2.06 0.00 0.00 58.89 60.76 1vij h TRP 6 Cb 1.81 -0.05 -0.14 0.00 -1.00 0.00 0.00 29.16 29.78 1vij h TRP 6 CO 0.85 0.60 -0.62 -0.65 -3.56 0.00 0.00 178.44 175.06 1vij s GLN 7 N -4.10 1.59 0.10 0.49 -0.21 -1.26 -5.09 119.66 111.18 1vij s GLN 7 Ca -0.04 -1.86 -0.34 0.00 0.02 0.00 0.00 55.36 53.14 1vij s GLN 7 Cb 0.13 -0.86 -0.13 0.00 1.00 0.00 0.00 33.01 33.16 1vij s GLN 7 CO 0.77 -0.15 1.67 0.54 -2.12 0.00 0.00 175.29 176.00 1vij n ARG 8 N -0.63 2.22 -1.68 2.91 1.74 -1.26 -4.84 116.66 115.11 1vij n ARG 8 Ca -0.03 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.44 1vij n ARG 8 Cb 0.66 -2.60 -0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1vij n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1vij n PRO 9 N 4.37 2.97 -1.55 5.56 -0.05 -1.26 -4.94 135.00 140.10 1vij n PRO 9 Ca 0.18 -2.56 -0.32 0.00 -0.05 0.00 0.00 63.50 60.75 1vij n PRO 9 Cb 0.30 -3.22 0.06 0.00 -0.05 0.00 0.00 33.50 30.59 1vij n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1vij s LEU 10 N 1.91 3.23 -0.26 1.53 1.43 -1.26 -0.01 118.68 125.24 1vij s LEU 10 Ca 0.50 1.90 -0.26 0.00 -1.03 0.00 0.00 54.13 55.23 1vij s LEU 10 Cb 0.14 -4.53 0.15 0.00 0.03 0.00 0.00 46.19 41.98 1vij s LEU 10 CO -0.09 -1.78 1.15 -0.69 0.23 0.00 0.00 176.35 175.18 1vij s VAL 11 N -2.62 0.00 -0.18 -1.59 1.01 0.18 -4.81 120.40 112.39 1vij s VAL 11 Ca 0.64 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.36 1vij s VAL 11 Cb -0.19 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1vij s VAL 11 CO 0.48 0.00 0.89 0.42 0.00 0.00 0.00 175.10 176.89 1vij s THR 12 N -0.18 4.83 0.31 3.92 -4.23 -1.26 0.39 115.64 119.42 1vij s THR 12 Ca 0.04 1.74 0.08 0.00 -1.18 0.00 0.00 61.69 62.36 1vij s THR 12 Cb -0.04 -4.18 -0.03 0.00 1.34 0.00 0.00 72.50 69.58 1vij s THR 12 CO -0.07 -0.02 0.20 0.27 -0.54 0.00 0.00 174.62 174.45 1vij s ILE 13 N 2.38 3.59 -0.25 2.99 -4.36 -0.84 -1.46 121.20 123.24 1vij s ILE 13 Ca 0.40 -1.53 -0.03 0.00 -0.26 0.00 0.00 60.65 59.23 1vij s ILE 13 Cb -0.16 -3.14 0.08 0.00 1.25 0.00 0.00 42.46 40.49 1vij s ILE 13 CO 0.11 -0.24 0.09 -0.75 0.24 0.00 0.00 174.94 174.39 1vij s LYS 14 N -3.88 0.43 0.10 0.37 2.20 -0.26 -1.43 119.74 117.27 1vij s LYS 14 Ca 0.37 -0.57 0.06 0.00 -0.36 0.00 0.00 55.97 55.48 1vij s LYS 14 Cb -0.05 -1.74 -0.03 0.00 -1.51 0.00 0.00 37.83 34.49 1vij s LYS 14 CO 0.24 -0.85 -0.16 0.96 -0.36 0.00 0.00 175.35 175.18 1vij s ILE 15 N 1.92 1.34 -0.22 5.43 -4.36 -0.37 -1.37 121.20 123.57 1vij s ILE 15 Ca 0.05 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 1vij s ILE 15 Cb -0.17 -1.34 0.00 0.00 1.25 0.00 0.00 42.46 42.21 1vij s ILE 15 CO -0.21 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 175.34 1vij n GLY 16 N 1.01 0.20 1.36 6.27 0.00 -1.26 0.13 105.19 112.90 1vij n GLY 16 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1vij n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vij n GLY 17 N 0.68 0.64 3.23 -0.02 0.00 -1.26 -5.05 105.19 103.41 1vij n GLY 17 Ca -0.02 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 1vij n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vij s GLN 18 N -1.71 1.25 -0.36 1.61 -0.21 0.35 -5.15 119.66 115.46 1vij s GLN 18 Ca 0.00 -0.92 -0.15 0.00 0.02 0.00 0.00 55.36 54.32 1vij s GLN 18 Cb 0.00 -1.36 -0.01 0.00 1.00 0.00 0.00 33.01 32.65 1vij s GLN 18 CO 0.00 0.34 0.32 -0.51 -2.12 0.00 0.00 175.29 173.32 1vij s LEU 19 N -1.24 4.58 0.28 2.90 1.02 -1.26 -1.24 118.68 123.73 1vij s LEU 19 Ca 0.06 -0.42 0.02 0.00 0.02 0.00 0.00 54.13 53.82 1vij s LEU 19 Cb -0.09 -2.25 -0.04 0.00 0.02 0.00 0.00 46.19 43.83 1vij s LEU 19 CO 0.02 -0.34 0.14 -0.54 0.02 0.00 0.00 176.35 175.65 1vij s LYS 20 N 1.89 1.51 -0.14 1.70 1.02 -0.51 -5.02 119.74 120.18 1vij s LYS 20 Ca 0.09 -1.85 0.01 0.00 0.02 0.00 0.00 55.97 54.24 1vij s LYS 20 Cb -0.17 -0.10 -0.00 0.00 -0.52 0.00 0.00 37.83 37.04 1vij s LYS 20 CO 0.11 -0.41 -0.17 -1.21 -0.92 0.00 0.00 175.35 172.75 1vij s GLU 21 N -3.90 3.20 0.35 1.68 2.02 -1.26 -1.99 118.70 118.79 1vij s GLU 21 Ca 0.37 -0.77 0.07 0.00 0.02 0.00 0.00 54.97 54.65 1vij s GLU 21 Cb 0.06 -2.56 -0.07 0.00 0.10 0.00 0.00 34.13 31.66 1vij s GLU 21 CO 0.16 0.07 -0.02 0.00 0.02 0.00 0.00 175.26 175.49 1vij s ALA 22 N 0.67 2.74 -0.43 5.21 0.00 1.27 -4.55 121.76 126.67 1vij s ALA 22 Ca -0.08 -2.11 -0.16 0.00 0.00 0.00 0.00 51.96 49.60 1vij s ALA 22 Cb -0.16 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1vij s ALA 22 CO 0.02 -0.11 0.39 -1.17 0.00 0.00 0.00 175.76 174.89 1vij s LEU 23 N -3.57 5.10 -0.08 0.00 2.96 0.98 0.48 118.68 124.55 1vij s LEU 23 Ca 0.33 -0.89 -0.29 0.00 -0.22 0.00 0.00 54.13 53.06 1vij s LEU 23 Cb 0.07 -2.27 -0.07 0.00 0.50 0.00 0.00 46.19 44.42 1vij s LEU 23 CO 0.16 -0.56 2.06 -0.76 -1.32 0.00 0.00 176.35 175.93 1vij s LEU 24 N 1.90 4.01 -0.26 -0.68 1.43 0.98 -2.76 118.68 123.31 1vij s LEU 24 Ca 0.08 2.32 0.02 0.00 -1.03 0.00 0.00 54.13 55.53 1vij s LEU 24 Cb -0.19 -3.52 0.06 0.00 0.03 0.00 0.00 46.19 42.57 1vij s LEU 24 CO 0.11 -1.43 -0.09 -0.62 0.23 0.00 0.00 176.35 174.54 1vij s ASP 25 N 6.02 4.32 0.15 2.29 -1.08 -0.42 -4.79 116.67 123.16 1vij s ASP 25 Ca 0.93 -1.37 0.25 0.00 -0.52 0.00 0.00 52.55 51.84 1vij s ASP 25 Cb -0.38 -1.46 0.93 0.00 -1.46 0.00 0.00 42.92 40.54 1vij s ASP 25 CO 0.39 -0.21 1.76 0.35 0.52 0.00 0.00 175.17 177.98 1vij n THR 26 N 4.48 0.56 1.10 1.71 -2.24 -1.26 -2.71 114.28 115.92 1vij n THR 26 Ca -0.13 -0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1vij n THR 26 Cb 0.42 -0.75 0.35 0.00 -2.10 0.00 0.00 70.33 68.26 1vij n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vij n GLY 27 N 0.90 0.55 3.56 3.38 0.00 -1.26 -4.75 105.19 107.57 1vij n GLY 27 Ca 0.05 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1vij n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vij s ALA 28 N -1.80 3.10 0.10 4.61 0.00 -1.10 -4.96 121.76 121.72 1vij s ALA 28 Ca 0.34 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 1vij s ALA 28 Cb 0.19 -1.55 -0.20 0.00 0.00 0.00 0.00 23.12 21.57 1vij s ALA 28 CO 0.29 0.33 1.21 -0.44 0.00 0.00 0.00 175.76 177.15 1vij h ASP 29 N 6.23 0.46 -3.95 0.00 3.32 -1.88 0.86 116.42 121.46 1vij h ASP 29 Ca -0.38 -0.44 -0.68 0.00 0.02 0.00 0.00 57.03 55.55 1vij h ASP 29 Cb 1.19 -0.15 -0.22 0.00 0.22 0.00 0.00 39.33 40.37 1vij h ASP 29 CO 0.61 1.29 -0.81 -1.81 -1.72 0.00 0.00 179.24 176.80 1vij s ASP 30 N -7.12 3.75 -0.32 6.45 1.01 -1.26 -1.70 116.67 117.48 1vij s ASP 30 Ca -0.05 -0.47 -0.22 0.00 0.71 0.00 0.00 52.55 52.52 1vij s ASP 30 Cb 0.08 -0.56 -0.00 0.00 1.01 0.00 0.00 42.92 43.45 1vij s ASP 30 CO 0.88 0.24 0.72 -0.89 0.21 0.00 0.00 175.17 176.32 1vij s THR 31 N -0.96 4.84 -0.20 -1.27 2.01 -1.26 -3.66 115.64 115.14 1vij s THR 31 Ca 0.15 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1vij s THR 31 Cb -0.10 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.33 1vij s THR 31 CO 0.06 -0.25 -0.16 0.54 -0.69 0.00 0.00 174.62 174.12 1vij s VAL 32 N 2.84 2.31 0.16 3.82 0.11 -0.74 -1.09 120.40 127.80 1vij s VAL 32 Ca 0.29 -0.95 0.06 0.00 -2.93 0.00 0.00 61.98 58.45 1vij s VAL 32 Cb -0.14 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.63 1vij s VAL 32 CO 0.13 0.45 0.02 -0.76 -3.33 0.00 0.00 175.10 171.61 1vij s LEU 33 N 1.30 3.41 0.57 2.54 1.43 0.32 -1.84 118.68 126.41 1vij s LEU 33 Ca 0.03 -0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 1vij s LEU 33 Cb -0.14 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1vij s LEU 33 CO -0.10 0.10 1.08 -1.83 0.23 0.00 0.00 176.35 175.83 1vij s GLU 34 N -2.84 3.33 0.05 1.70 -1.05 -1.24 -1.29 118.70 117.36 1vij s GLU 34 Ca 0.28 1.38 -0.37 0.00 -0.15 0.00 0.00 54.97 56.10 1vij s GLU 34 Cb -0.10 -2.02 -0.19 0.00 -0.44 0.00 0.00 34.13 31.38 1vij s GLU 34 CO 0.19 -0.83 1.01 0.39 0.95 0.00 0.00 175.26 176.98 1vij n GLU 35 N -1.69 0.18 -3.57 -4.83 -0.58 -1.16 -4.75 120.64 104.24 1vij n GLU 35 Ca 0.10 0.07 -0.06 0.00 -0.42 0.00 0.00 57.16 56.84 1vij n GLU 35 Cb 0.52 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.87 1vij n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vij s MET 36 N -0.14 0.69 -0.09 3.49 0.23 -1.26 -5.06 119.30 117.15 1vij s MET 36 Ca 0.85 -0.28 -0.30 0.00 -1.03 0.00 0.00 55.69 54.93 1vij s MET 36 Cb -1.16 0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 32.40 1vij s MET 36 CO 0.56 -0.30 1.42 1.21 -2.03 0.00 0.00 175.02 175.88 1vij s ASN 37 N -2.48 6.83 -0.00 -1.18 2.47 -1.26 -4.96 114.94 114.36 1vij s ASN 37 Ca 0.08 1.97 0.00 0.00 0.42 0.00 0.00 52.86 55.33 1vij s ASN 37 Cb -0.01 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 1vij s ASN 37 CO -0.06 -0.80 -0.01 -0.76 -3.72 0.00 0.00 177.10 171.75 1vij s LEU 38 N 3.42 1.96 0.08 3.21 1.43 -1.26 -4.83 118.68 122.69 1vij s LEU 38 Ca 0.63 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1vij s LEU 38 Cb -0.28 -0.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1vij s LEU 38 CO 0.22 0.01 0.22 -2.16 0.23 0.00 0.00 176.35 174.88 1vij s PRO 39 N 0.02 3.44 0.00 1.29 0.04 -1.26 -5.04 135.00 133.50 1vij s PRO 39 Ca -0.00 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1vij s PRO 39 Cb -0.01 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1vij s PRO 39 CO -0.00 0.59 0.00 0.41 0.04 0.00 0.00 177.00 178.04 1vij n GLY 40 N 0.14 0.03 3.71 0.56 0.00 -1.26 -5.01 105.19 103.36 1vij n GLY 40 Ca -0.05 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 1vij n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vij s ARG 41 N 0.00 4.38 0.00 1.61 0.52 -1.26 -5.07 118.95 119.13 1vij s ARG 41 Ca 0.00 0.79 0.00 0.00 -0.52 0.00 0.00 55.73 56.00 1vij s ARG 41 Cb 0.00 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 32.00 1vij s ARG 41 CO 0.00 0.01 0.00 -2.67 0.02 0.00 0.00 175.30 172.66 1vij n TRP 42 N 4.03 -1.23 -3.52 -0.53 4.27 -1.26 -4.68 117.44 114.50 1vij n TRP 42 Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 1vij n TRP 42 Cb 0.51 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.41 1vij n TRP 42 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1vij s LYS 43 N -0.55 0.28 0.59 -2.67 2.20 -0.43 -4.87 119.74 114.27 1vij s LYS 43 Ca 0.00 0.56 -0.18 0.00 -0.36 0.00 0.00 55.97 55.99 1vij s LYS 43 Cb 0.00 0.20 -0.07 0.00 -1.51 0.00 0.00 37.83 36.45 1vij s LYS 43 CO 0.00 -0.07 0.73 -2.30 -0.36 0.00 0.00 175.35 173.35 1vij n PRO 44 N 4.14 0.68 -3.62 4.03 -0.02 -1.26 0.37 135.00 139.32 1vij n PRO 44 Ca -0.14 0.27 -0.05 0.00 -2.02 0.00 0.00 63.50 61.56 1vij n PRO 44 Cb 0.55 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1vij n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1vij s LYS 45 N -2.41 0.83 -0.01 -0.52 2.20 -0.28 -4.50 119.74 115.05 1vij s LYS 45 Ca 0.72 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1vij s LYS 45 Cb -0.43 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.23 1vij s LYS 45 CO 0.51 -0.37 0.01 -1.64 -0.36 0.00 0.00 175.35 173.49 1vij s MET 46 N -3.00 0.04 0.02 4.03 -1.94 -1.26 -1.17 119.30 116.02 1vij s MET 46 Ca 0.09 0.07 -0.05 0.00 -1.71 0.00 0.00 55.69 54.10 1vij s MET 46 Cb -0.00 -0.17 -0.01 0.00 2.01 0.00 0.00 34.83 36.65 1vij s MET 46 CO -0.04 -0.08 0.08 0.96 -0.01 0.00 0.00 175.02 175.93 1vij s ILE 47 N 0.53 0.12 0.10 2.53 -5.25 0.84 -4.93 121.20 115.14 1vij s ILE 47 Ca -0.05 -0.97 -0.09 0.00 -0.99 0.00 0.00 60.65 58.55 1vij s ILE 47 Cb -0.07 -0.65 0.00 0.00 2.95 0.00 0.00 42.46 44.69 1vij s ILE 47 CO -0.01 -0.53 0.22 -0.83 -1.79 0.00 0.00 174.94 172.00 1vij s GLY 48 N -1.80 0.12 0.00 6.27 0.00 -1.26 0.30 107.32 110.95 1vij s GLY 48 Ca -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1vij s GLY 48 CO -0.02 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 172.92 1vij n GLY 49 N -0.10 3.98 3.58 0.20 0.00 -1.23 -4.97 105.19 106.66 1vij n GLY 49 Ca -0.14 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1vij n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vij s ILE 50 N 3.07 4.69 0.00 -0.61 1.10 -1.26 -4.19 121.20 124.01 1vij s ILE 50 Ca 0.00 0.90 0.00 0.00 -0.51 0.00 0.00 60.65 61.04 1vij s ILE 50 Cb 0.00 -4.25 0.00 0.00 0.15 0.00 0.00 42.46 38.36 1vij s ILE 50 CO 0.00 -0.49 0.00 0.61 -2.11 0.00 0.00 174.94 172.95 1vij n GLY 51 N 4.55 0.69 0.00 1.50 0.00 -1.26 -5.05 105.19 105.63 1vij n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1vij n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vij n GLY 52 N -2.04 4.64 3.75 -0.02 0.00 -1.26 -5.11 105.19 105.16 1vij n GLY 52 Ca 0.00 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1vij n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vij s PHE 53 N -2.00 3.72 0.09 1.61 0.40 -1.26 -3.54 117.98 117.00 1vij s PHE 53 Ca 0.00 1.75 0.09 0.00 -0.60 0.00 0.00 56.93 58.18 1vij s PHE 53 Cb 0.00 -3.17 -0.03 0.00 0.51 0.00 0.00 43.02 40.32 1vij s PHE 53 CO 0.00 -0.21 -0.24 0.96 0.70 0.00 0.00 175.22 176.43 1vij s ILE 54 N -0.90 2.01 -0.23 0.64 -4.36 0.86 -4.90 121.20 114.32 1vij s ILE 54 Ca 0.45 -1.54 -0.14 0.00 -0.26 0.00 0.00 60.65 59.15 1vij s ILE 54 Cb -0.29 -1.77 -0.04 0.00 1.25 0.00 0.00 42.46 41.61 1vij s ILE 54 CO 0.36 0.13 0.34 -0.54 0.24 0.00 0.00 174.94 175.47 1vij s LYS 55 N -1.72 4.11 0.38 0.37 -0.14 -1.26 -0.12 119.74 121.36 1vij s LYS 55 Ca 0.11 0.05 0.08 0.00 -1.36 0.00 0.00 55.97 54.85 1vij s LYS 55 Cb -0.10 -3.57 -0.07 0.00 -1.68 0.00 0.00 37.83 32.42 1vij s LYS 55 CO 0.04 -0.07 -0.03 0.14 -0.76 0.00 0.00 175.35 174.67 1vij s VAL 56 N 1.43 2.17 -0.15 3.17 -7.23 -0.32 -4.75 120.40 114.73 1vij s VAL 56 Ca 0.15 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1vij s VAL 56 Cb -0.15 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 1vij s VAL 56 CO 0.08 -0.10 -0.09 0.00 -0.31 0.00 0.00 175.10 174.67 1vij s ARG 57 N -3.68 3.47 0.26 4.82 3.03 -0.78 -1.13 118.95 124.94 1vij s ARG 57 Ca 0.34 -0.63 -0.29 0.00 2.03 0.00 0.00 55.73 57.18 1vij s ARG 57 Cb 0.06 -2.77 -0.09 0.00 -1.03 0.00 0.00 34.95 31.11 1vij s ARG 57 CO 0.18 0.16 1.14 -1.14 -1.13 0.00 0.00 175.30 174.51 1vij s GLN 58 N 0.53 4.58 -0.15 3.89 0.74 1.17 -2.66 119.66 127.76 1vij s GLN 58 Ca -0.06 1.86 -0.05 0.00 0.05 0.00 0.00 55.36 57.15 1vij s GLN 58 Cb -0.15 -3.19 0.07 0.00 1.10 0.00 0.00 33.01 30.84 1vij s GLN 58 CO 0.03 0.10 0.30 0.71 -0.55 0.00 0.00 175.29 175.88 1vij s TYR 59 N -0.88 -0.51 0.53 1.67 1.51 -1.09 -1.32 117.35 117.25 1vij s TYR 59 Ca 0.47 1.08 0.07 0.00 -1.01 0.00 0.00 57.07 57.67 1vij s TYR 59 Cb -0.33 0.03 0.04 0.00 -0.11 0.00 0.00 41.96 41.60 1vij s TYR 59 CO 0.41 -0.40 0.51 -0.51 -1.11 0.00 0.00 175.55 174.45 1vij s ASP 60 N 2.46 4.85 -1.61 2.29 1.11 -1.26 -0.87 116.67 123.64 1vij s ASP 60 Ca 0.01 -1.03 -0.06 0.00 0.18 0.00 0.00 52.55 51.65 1vij s ASP 60 Cb -0.12 0.18 0.06 0.00 1.07 0.00 0.00 42.92 44.11 1vij s ASP 60 CO -0.10 -1.08 0.23 0.00 1.18 0.00 0.00 175.17 175.41 1vij n GLN 61 N -1.86 -1.35 -4.54 8.23 6.02 -1.26 -4.90 117.38 117.73 1vij n GLN 61 Ca 0.04 0.16 -0.34 0.00 -0.01 0.00 0.00 57.00 56.85 1vij n GLN 61 Cb 0.63 -4.04 -0.11 0.00 1.02 0.00 0.00 30.24 27.73 1vij n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1vij s ILE 62 N -4.02 3.84 0.14 5.09 1.01 -1.14 -4.91 121.20 121.21 1vij s ILE 62 Ca 0.22 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 1vij s ILE 62 Cb -0.13 -2.60 -0.07 0.00 0.01 0.00 0.00 42.46 39.67 1vij s ILE 62 CO 0.99 0.58 0.51 -0.22 0.00 0.00 0.00 174.94 176.79 1vij s LEU 63 N -0.56 4.31 -0.03 2.97 2.96 -1.26 -0.42 118.68 126.65 1vij s LEU 63 Ca 0.09 0.97 -0.11 0.00 -0.22 0.00 0.00 54.13 54.85 1vij s LEU 63 Cb -0.12 -3.27 0.02 0.00 0.50 0.00 0.00 46.19 43.32 1vij s LEU 63 CO 0.02 0.09 0.25 -0.51 -1.32 0.00 0.00 176.35 174.88 1vij s ILE 64 N -1.51 0.05 -0.26 6.68 2.07 0.11 -4.71 121.20 123.63 1vij s ILE 64 Ca 0.38 -0.41 0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1vij s ILE 64 Cb -0.14 -0.51 0.05 0.00 0.13 0.00 0.00 42.46 41.99 1vij s ILE 64 CO 0.19 -0.22 -0.09 -0.70 -1.91 0.00 0.00 174.94 172.21 1vij s GLU 65 N -0.95 2.45 -0.27 3.50 2.12 -0.47 -0.91 118.70 124.17 1vij s GLU 65 Ca -0.10 -1.22 -0.09 0.00 0.36 0.00 0.00 54.97 53.92 1vij s GLU 65 Cb -0.05 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.37 1vij s GLU 65 CO 0.02 -0.52 0.13 0.42 -0.54 0.00 0.00 175.26 174.78 1vij s ILE 66 N 1.19 4.76 -1.66 -3.70 1.09 0.27 -1.10 121.20 122.06 1vij s ILE 66 Ca -0.05 -0.06 -0.19 0.00 -1.10 0.00 0.00 60.65 59.24 1vij s ILE 66 Cb -0.19 -3.27 0.19 0.00 -1.06 0.00 0.00 42.46 38.14 1vij s ILE 66 CO -0.05 0.27 0.48 0.00 -0.10 0.00 0.00 174.94 175.54 1vij n GLY 68 N -1.14 0.30 2.72 0.00 0.00 -1.26 -5.06 105.19 100.73 1vij n GLY 68 Ca 0.07 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 1vij n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vij s HIS 69 N -3.07 0.19 0.20 1.61 4.02 0.12 -5.16 115.29 113.19 1vij s HIS 69 Ca 0.01 0.14 -0.10 0.00 1.02 0.00 0.00 55.06 56.12 1vij s HIS 69 Cb -0.00 -0.49 -0.07 0.00 -1.02 0.00 0.00 32.58 31.00 1vij s HIS 69 CO 0.15 -0.19 0.53 0.15 1.02 0.00 0.00 174.74 176.39 1vij s LYS 70 N 1.85 3.82 -0.29 1.40 1.02 -1.26 0.97 119.74 127.26 1vij s LYS 70 Ca 0.01 0.29 -0.17 0.00 0.02 0.00 0.00 55.97 56.12 1vij s LYS 70 Cb -0.12 -2.74 0.13 0.00 -0.52 0.00 0.00 37.83 34.57 1vij s LYS 70 CO -0.03 0.38 0.92 0.00 -0.92 0.00 0.00 175.35 175.69 1vij s ALA 71 N -1.71 -2.16 -0.23 5.17 0.00 -0.09 -4.90 121.76 117.85 1vij s ALA 71 Ca 0.44 2.22 -0.10 0.00 0.00 0.00 0.00 51.96 54.52 1vij s ALA 71 Cb -0.12 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 1vij s ALA 71 CO 0.21 -0.34 0.15 0.42 0.00 0.00 0.00 175.76 176.19 1vij s ILE 72 N 1.30 5.33 0.29 0.00 -1.09 -1.26 0.08 121.20 125.85 1vij s ILE 72 Ca -0.08 0.17 -0.17 0.00 -2.23 0.00 0.00 60.65 58.34 1vij s ILE 72 Cb -0.04 -3.47 0.02 0.00 -1.58 0.00 0.00 42.46 37.39 1vij s ILE 72 CO -0.15 0.38 0.65 -0.83 -1.23 0.00 0.00 174.94 173.75 1vij s GLY 73 N 0.84 0.26 0.13 6.18 0.00 0.44 -4.87 107.32 110.31 1vij s GLY 73 Ca 0.07 -0.62 -0.29 0.00 0.00 0.00 0.00 44.72 43.89 1vij s GLY 73 CO 0.02 -0.33 0.91 -1.59 0.00 0.00 0.00 173.10 172.11 1vij s THR 74 N -3.63 4.43 0.17 0.90 2.01 -1.26 -2.89 115.64 115.37 1vij s THR 74 Ca 0.16 1.98 0.10 0.00 0.31 0.00 0.00 61.69 64.24 1vij s THR 74 Cb -0.04 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1vij s THR 74 CO 0.09 0.38 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.50 1vij s VAL 75 N -0.37 2.07 -0.08 3.82 1.01 -0.05 -4.62 120.40 122.18 1vij s VAL 75 Ca 0.43 -1.91 0.03 0.00 0.00 0.00 0.00 61.98 60.53 1vij s VAL 75 Cb -0.23 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1vij s VAL 75 CO 0.29 -0.17 -0.15 -0.76 0.00 0.00 0.00 175.10 174.30 1vij s LEU 76 N -2.54 1.76 -0.18 3.92 1.43 -0.25 -2.68 118.68 120.14 1vij s LEU 76 Ca 0.17 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1vij s LEU 76 Cb -0.07 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 1vij s LEU 76 CO 0.08 0.06 -0.02 -0.69 0.23 0.00 0.00 176.35 176.01 1vij s VAL 77 N 0.62 3.89 0.15 -1.59 1.01 -1.09 0.12 120.40 123.51 1vij s VAL 77 Ca -0.15 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 1vij s VAL 77 Cb -0.16 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.56 1vij s VAL 77 CO 0.05 0.46 1.07 -0.83 0.00 0.00 0.00 175.10 175.85 1vij s GLY 78 N 0.72 0.06 -1.04 4.51 0.00 -0.41 -1.87 107.32 109.30 1vij s GLY 78 Ca -0.01 -0.25 -0.23 0.00 0.00 0.00 0.00 44.72 44.23 1vij s GLY 78 CO 0.02 2.73 1.57 2.56 0.00 0.00 0.00 173.10 179.99 1vij s PRO 79 N -2.19 3.44 0.00 2.90 0.04 -1.26 -3.00 135.00 134.93 1vij s PRO 79 Ca 0.22 -1.08 0.07 0.00 0.04 0.00 0.00 61.00 60.25 1vij s PRO 79 Cb -0.02 -5.33 -0.02 0.00 0.04 0.00 0.00 34.50 29.17 1vij s PRO 79 CO 0.04 -2.45 -0.22 -0.08 0.04 0.00 0.00 177.00 174.34 1vij s THR 80 N 5.87 1.73 0.24 1.26 -1.32 -1.26 -5.05 115.64 117.11 1vij s THR 80 Ca 0.51 -1.02 -0.04 0.00 -1.21 0.00 0.00 61.69 59.94 1vij s THR 80 Cb -0.01 -1.45 0.10 0.00 -1.51 0.00 0.00 72.50 69.62 1vij s THR 80 CO -0.06 0.42 1.72 1.55 -2.21 0.00 0.00 174.62 176.04 1vij h PRO 81 N 5.39 0.86 -6.27 7.08 0.13 -2.00 -3.43 132.00 133.76 1vij h PRO 81 Ca -0.41 -0.25 -0.58 0.00 -0.87 0.00 0.00 66.00 63.89 1vij h PRO 81 Cb 1.14 -0.09 -0.11 0.00 0.13 0.00 0.00 31.00 32.07 1vij h PRO 81 CO 0.47 0.87 -0.68 0.14 -0.23 0.00 0.00 178.00 178.56 1vij s VAL 82 N -4.96 3.25 -0.22 1.56 -7.23 -1.26 -5.04 120.40 106.50 1vij s VAL 82 Ca -0.10 -1.92 -0.16 0.00 -1.81 0.00 0.00 61.98 57.99 1vij s VAL 82 Cb 0.14 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1vij s VAL 82 CO 0.82 -0.31 0.42 0.20 -0.31 0.00 0.00 175.10 175.92 1vij s ASN 83 N -3.43 6.42 -0.20 4.85 0.01 -1.26 -4.66 114.94 116.66 1vij s ASN 83 Ca 0.30 0.49 -0.06 0.00 -0.71 0.00 0.00 52.86 52.87 1vij s ASN 83 Cb -0.07 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 1vij s ASN 83 CO 0.18 -0.13 0.04 -0.63 -1.51 0.00 0.00 177.10 175.04 1vij s ILE 84 N 1.61 4.34 -0.41 0.60 1.09 -0.76 -0.02 121.20 127.65 1vij s ILE 84 Ca 0.19 -0.18 -0.14 0.00 -1.10 0.00 0.00 60.65 59.42 1vij s ILE 84 Cb -0.15 -2.97 0.03 0.00 -1.06 0.00 0.00 42.46 38.31 1vij s ILE 84 CO 0.09 0.42 0.28 -0.63 -0.10 0.00 0.00 174.94 175.00 1vij s ILE 85 N 0.91 4.99 0.57 2.92 -1.09 -1.11 -1.80 121.20 126.59 1vij s ILE 85 Ca 0.03 -0.82 -0.02 0.00 -2.23 0.00 0.00 60.65 57.61 1vij s ILE 85 Cb -0.14 -3.83 0.12 0.00 -1.58 0.00 0.00 42.46 37.03 1vij s ILE 85 CO 0.02 -0.34 0.78 0.61 -1.23 0.00 0.00 174.94 174.78 1vij n GLY 86 N 5.10 0.37 0.25 6.18 0.00 -1.24 -1.30 105.19 114.56 1vij n GLY 86 Ca -0.11 -1.97 0.17 0.00 0.00 0.00 0.00 46.02 44.11 1vij n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1vij h ARG 87 N 0.00 0.00 0.00 1.61 3.08 0.78 -2.18 114.38 117.67 1vij h ARG 87 Ca -0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1vij h ARG 87 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1vij h ARG 87 CO 0.26 0.00 -0.06 -2.95 -1.07 0.00 0.00 179.97 176.15 1vij h ASN 88 N 0.00 0.00 0.00 7.04 7.08 -1.57 -2.95 115.58 125.17 1vij h ASN 88 Ca 0.00 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 53.07 1vij h ASN 88 Cb 0.35 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.56 1vij h ASN 88 CO 0.00 0.06 -1.56 0.18 -2.08 0.00 0.00 177.43 174.04 1vij n LEU 89 N -3.70 0.75 0.25 6.14 4.77 -1.05 -4.57 117.00 119.59 1vij n LEU 89 Ca -0.02 -0.01 0.13 0.00 -0.03 0.00 0.00 56.01 56.07 1vij n LEU 89 Cb 0.16 0.06 0.62 0.00 -2.33 0.00 0.00 43.42 41.94 1vij n LEU 89 CO 0.28 0.32 0.91 -0.07 -1.33 0.00 0.00 177.39 177.50 1vij h LEU 90 N 0.00 0.00 -0.39 2.23 3.38 -1.37 -0.04 115.31 119.12 1vij h LEU 90 Ca -0.22 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.56 1vij h LEU 90 Cb 1.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1vij h LEU 90 CO -0.00 0.15 -0.77 0.00 0.09 0.00 0.00 178.44 177.91 1vij h THR 91 N 0.00 1.41 -0.13 0.22 1.03 -1.78 -2.76 112.91 110.89 1vij h THR 91 Ca -0.00 -2.26 -0.15 0.00 -0.01 0.00 0.00 66.41 63.98 1vij h THR 91 Cb 0.53 2.21 -0.01 0.00 -1.07 0.00 0.00 68.15 69.82 1vij h THR 91 CO 0.02 0.67 -0.57 1.56 -0.01 0.00 0.00 175.52 177.19 1vij h GLN 92 N 0.21 0.42 -0.30 0.00 4.20 -1.25 -3.06 115.11 115.33 1vij h GLN 92 Ca -0.04 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1vij h GLN 92 Cb 1.35 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.17 1vij h GLN 92 CO 0.13 0.87 0.00 0.44 -0.67 0.00 0.00 178.83 179.60 1vij n ILE 93 N -3.93 0.40 -0.69 2.54 -5.35 -1.08 -4.94 119.36 106.31 1vij n ILE 93 Ca -0.03 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1vij n ILE 93 Cb 0.61 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 1vij n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vij n GLY 94 N 1.02 0.94 3.69 3.28 0.00 -1.16 -5.04 105.19 107.92 1vij n GLY 94 Ca 0.11 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.63 1vij n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vij s THR 96 N 3.78 1.08 0.54 0.00 -4.23 -1.26 -4.65 115.64 110.89 1vij s THR 96 Ca 0.93 -0.97 -0.19 0.00 -1.18 0.00 0.00 61.69 60.28 1vij s THR 96 Cb -0.77 -0.98 -0.06 0.00 1.34 0.00 0.00 72.50 72.03 1vij s THR 96 CO 0.54 0.01 1.09 -0.76 -0.54 0.00 0.00 174.62 174.96 1vij s LEU 97 N -1.09 3.73 -0.18 4.79 1.02 -1.26 -5.03 118.68 120.65 1vij s LEU 97 Ca 0.01 2.04 -0.13 0.00 0.02 0.00 0.00 54.13 56.08 1vij s LEU 97 Cb -0.08 -4.57 0.06 0.00 0.02 0.00 0.00 46.19 41.62 1vij s LEU 97 CO 0.01 -1.09 0.46 0.20 0.02 0.00 0.00 176.35 175.95 1vij s ASN 98 N -2.01 -0.55 0.00 2.29 -0.87 -1.26 -5.27 114.94 107.28 1vij s ASN 98 Ca 0.69 0.97 0.00 0.00 -1.57 0.00 0.00 52.86 52.96 1vij s ASN 98 Cb -0.20 0.91 0.00 0.00 -0.02 0.00 0.00 41.25 41.93 1vij s ASN 98 CO 0.27 -0.19 0.00 2.22 -2.57 0.00 0.00 177.10 176.83