#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 3.82 -0.18 0.54 1.11 -1.26 -5.05 119.66 118.64 1vij s GLN 2 Ca 0.00 -0.12 -0.03 0.00 0.01 0.00 0.00 55.36 55.22 1vij s GLN 2 Cb 0.00 -3.73 -0.01 0.00 -1.01 0.00 0.00 33.01 28.26 1vij s GLN 2 CO 0.00 -0.41 -0.07 0.42 0.01 0.00 0.00 175.29 175.24 1vij s ILE 3 N 2.11 3.37 0.18 1.08 1.01 -1.26 -5.12 121.20 122.57 1vij s ILE 3 Ca 0.15 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1vij s ILE 3 Cb -0.16 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1vij s ILE 3 CO 0.11 0.47 0.37 0.42 0.00 0.00 0.00 174.94 176.31 1vij s THR 4 N 0.96 5.21 -0.47 2.92 -4.23 -1.26 -5.04 115.64 113.73 1vij s THR 4 Ca -0.01 -0.29 0.09 0.00 -1.18 0.00 0.00 61.69 60.30 1vij s THR 4 Cb -0.15 -3.70 0.55 0.00 1.34 0.00 0.00 72.50 70.54 1vij s THR 4 CO 0.00 -0.11 1.37 0.18 -0.54 0.00 0.00 174.62 175.53 1vij n LEU 5 N -0.44 4.35 0.02 4.79 4.77 -1.26 -4.38 117.00 124.85 1vij n LEU 5 Ca -0.04 -2.22 0.01 0.00 -0.03 0.00 0.00 56.01 53.73 1vij n LEU 5 Cb 0.53 -0.64 0.32 0.00 -2.33 0.00 0.00 43.42 41.31 1vij n LEU 5 CO 0.49 0.54 0.95 -0.50 -1.33 0.00 0.00 177.39 177.54 1vij h TRP 6 N 2.53 0.50 -3.44 -1.77 4.06 -2.06 -3.42 115.95 112.34 1vij h TRP 6 Ca 0.04 -0.04 -0.52 0.00 2.06 0.00 0.00 58.89 60.42 1vij h TRP 6 Cb 1.58 -0.15 -0.19 0.00 -1.00 0.00 0.00 29.16 29.41 1vij h TRP 6 CO 0.78 0.49 -0.79 -0.65 -3.56 0.00 0.00 178.44 174.71 1vij s GLN 7 N -4.99 1.23 0.02 0.49 -0.21 -1.26 -5.11 119.66 109.83 1vij s GLN 7 Ca -0.07 -1.35 -0.36 0.00 0.02 0.00 0.00 55.36 53.60 1vij s GLN 7 Cb 0.16 -1.32 -0.15 0.00 1.00 0.00 0.00 33.01 32.70 1vij s GLN 7 CO 0.76 0.28 1.57 0.54 -2.12 0.00 0.00 175.29 176.32 1vij n ARG 8 N 0.47 1.64 -2.04 2.91 1.74 -1.26 -4.82 116.66 115.30 1vij n ARG 8 Ca -0.15 0.59 -0.41 0.00 -0.77 0.00 0.00 57.85 57.12 1vij n ARG 8 Cb 0.56 -2.32 -0.02 0.00 -1.02 0.00 0.00 32.46 29.67 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 3.98 2.64 -2.75 5.56 -0.04 -1.26 -4.93 135.00 138.20 1vij n PRO 9 Ca 0.20 -2.75 -0.38 0.00 -0.04 0.00 0.00 63.50 60.53 1vij n PRO 9 Cb 0.23 -3.39 -0.06 0.00 -0.04 0.00 0.00 33.50 30.24 1vij n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vij s LEU 10 N 4.09 4.41 0.19 1.53 1.43 -1.26 -1.65 118.68 127.43 1vij s LEU 10 Ca 0.54 1.89 -0.04 0.00 -1.03 0.00 0.00 54.13 55.49 1vij s LEU 10 Cb 0.08 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 1vij s LEU 10 CO 0.04 -0.03 0.19 0.54 0.23 0.00 0.00 176.35 177.31 1vij s VAL 11 N -1.50 0.03 0.09 -1.59 0.11 0.61 -4.95 120.40 113.20 1vij s VAL 11 Ca 0.48 -1.81 0.01 0.00 -2.93 0.00 0.00 61.98 57.73 1vij s VAL 11 Cb -0.21 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1vij s VAL 11 CO 0.27 -0.12 0.23 0.42 -3.33 0.00 0.00 175.10 172.56 1vij s THR 12 N -4.09 5.35 0.01 5.04 -4.23 -1.26 -1.18 115.64 115.28 1vij s THR 12 Ca 0.31 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1vij s THR 12 Cb 0.05 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 1vij s THR 12 CO 0.08 0.07 -0.03 0.27 -0.54 0.00 0.00 174.62 174.48 1vij s ILE 13 N -1.57 0.14 -0.22 2.99 -4.36 0.57 -1.58 121.20 117.16 1vij s ILE 13 Ca 0.35 -0.51 -0.04 0.00 -0.26 0.00 0.00 60.65 60.19 1vij s ILE 13 Cb -0.12 -0.21 -0.01 0.00 1.25 0.00 0.00 42.46 43.36 1vij s ILE 13 CO 0.28 -0.23 -0.03 -0.75 0.24 0.00 0.00 174.94 174.45 1vij s LYS 14 N -0.78 3.44 -0.06 0.37 2.20 -0.64 -0.96 119.74 123.32 1vij s LYS 14 Ca -0.07 -0.60 -0.05 0.00 -0.36 0.00 0.00 55.97 54.89 1vij s LYS 14 Cb -0.05 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.25 1vij s LYS 14 CO -0.00 -0.16 0.15 0.42 -0.36 0.00 0.00 175.35 175.40 1vij s ILE 15 N 1.40 -0.01 -1.65 5.43 1.09 0.60 -0.85 121.20 127.20 1vij s ILE 15 Ca 0.05 0.02 -0.11 0.00 -1.10 0.00 0.00 60.65 59.50 1vij s ILE 15 Cb -0.14 -0.22 0.11 0.00 -1.06 0.00 0.00 42.46 41.14 1vij s ILE 15 CO -0.02 0.01 0.45 0.61 -0.10 0.00 0.00 174.94 175.89 1vij n GLY 16 N 3.15 -0.30 2.68 6.18 0.00 -1.26 0.14 105.19 115.77 1vij n GLY 16 Ca -0.14 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.75 2.73 3.61 -0.02 0.00 -1.26 -5.00 105.19 103.50 1vij n GLY 17 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.24 2.20 -0.24 1.61 -0.21 0.37 -5.11 119.66 118.04 1vij s GLN 18 Ca 0.00 -1.27 -0.21 0.00 0.02 0.00 0.00 55.36 53.91 1vij s GLN 18 Cb 0.00 -2.21 -0.02 0.00 1.00 0.00 0.00 33.01 31.78 1vij s GLN 18 CO 0.00 0.42 0.64 -0.51 -2.12 0.00 0.00 175.29 173.72 1vij s LEU 19 N -3.07 4.08 0.41 2.90 1.43 -1.26 -0.29 118.68 122.88 1vij s LEU 19 Ca 0.27 0.76 0.04 0.00 -1.03 0.00 0.00 54.13 54.17 1vij s LEU 19 Cb -0.08 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 1vij s LEU 19 CO 0.17 -0.36 0.11 -0.54 0.23 0.00 0.00 176.35 175.97 1vij s LYS 20 N 2.39 1.92 -0.08 1.70 1.02 -0.13 -5.00 119.74 121.56 1vij s LYS 20 Ca 0.27 -2.17 0.00 0.00 0.02 0.00 0.00 55.97 54.10 1vij s LYS 20 Cb -0.16 -0.71 0.02 0.00 -0.52 0.00 0.00 37.83 36.47 1vij s LYS 20 CO 0.09 -0.44 -0.06 -2.00 -0.92 0.00 0.00 175.35 172.02 1vij s GLU 21 N -3.74 1.14 0.19 1.68 2.12 -1.26 -0.32 118.70 118.50 1vij s GLU 21 Ca 0.24 -0.15 0.11 0.00 0.36 0.00 0.00 54.97 55.53 1vij s GLU 21 Cb 0.03 -1.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.17 1vij s GLU 21 CO 0.14 -0.18 -0.23 0.00 -0.54 0.00 0.00 175.26 174.45 1vij s ALA 22 N 1.39 2.45 -0.16 6.30 0.00 -0.32 -4.30 121.76 127.12 1vij s ALA 22 Ca -0.03 -1.61 -0.18 0.00 0.00 0.00 0.00 51.96 50.14 1vij s ALA 22 Cb -0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1vij s ALA 22 CO -0.03 0.41 0.50 -1.17 0.00 0.00 0.00 175.76 175.46 1vij s LEU 23 N -2.64 4.22 -0.39 0.00 2.96 0.94 -0.28 118.68 123.49 1vij s LEU 23 Ca 0.20 0.75 -0.24 0.00 -0.22 0.00 0.00 54.13 54.62 1vij s LEU 23 Cb -0.08 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.92 1vij s LEU 23 CO 0.09 -0.08 0.84 -0.76 -1.32 0.00 0.00 176.35 175.12 1vij s LEU 24 N 1.09 4.08 -0.31 -0.68 1.02 -0.66 -0.42 118.68 122.82 1vij s LEU 24 Ca 0.25 0.35 -0.02 0.00 0.02 0.00 0.00 54.13 54.73 1vij s LEU 24 Cb -0.15 -3.11 0.05 0.00 0.02 0.00 0.00 46.19 42.99 1vij s LEU 24 CO 0.10 -0.83 0.01 -0.62 0.02 0.00 0.00 176.35 175.03 1vij s ASP 25 N 1.94 4.94 0.03 2.29 -1.08 -0.85 -4.82 116.67 119.12 1vij s ASP 25 Ca 0.34 -1.27 0.26 0.00 -0.52 0.00 0.00 52.55 51.36 1vij s ASP 25 Cb -0.12 -1.73 1.06 0.00 -1.46 0.00 0.00 42.92 40.67 1vij s ASP 25 CO 0.19 -0.27 1.81 0.35 0.52 0.00 0.00 175.17 177.78 1vij n THR 26 N 4.64 0.29 -1.28 1.71 -2.24 -1.26 -3.42 114.28 112.72 1vij n THR 26 Ca -0.13 0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.51 1vij n THR 26 Cb 0.43 -0.63 0.20 0.00 -2.10 0.00 0.00 70.33 68.23 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 1.14 4.55 2.75 3.38 0.00 -1.26 -4.82 105.19 110.92 1vij n GLY 27 Ca 0.06 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.26 0.37 0.11 4.61 0.00 -1.22 -5.05 121.76 117.32 1vij s ALA 28 Ca 0.53 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1vij s ALA 28 Cb 0.45 -0.53 -0.21 0.00 0.00 0.00 0.00 23.12 22.83 1vij s ALA 28 CO 0.08 -0.32 1.23 -0.44 0.00 0.00 0.00 175.76 176.31 1vij h ASP 29 N 7.93 0.24 -2.86 0.00 5.19 -1.87 0.12 116.42 125.17 1vij h ASP 29 Ca -0.26 -0.25 -0.50 0.00 -0.62 0.00 0.00 57.03 55.39 1vij h ASP 29 Cb 1.13 -0.08 -0.14 0.00 0.18 0.00 0.00 39.33 40.42 1vij h ASP 29 CO 0.31 1.17 -0.74 -1.81 -3.12 0.00 0.00 179.24 175.06 1vij s ASP 30 N -6.95 2.91 0.06 6.45 1.01 -1.26 -0.39 116.67 118.50 1vij s ASP 30 Ca -0.02 -1.04 -0.25 0.00 0.71 0.00 0.00 52.55 51.95 1vij s ASP 30 Cb 0.09 -0.19 -0.06 0.00 1.01 0.00 0.00 42.92 43.77 1vij s ASP 30 CO 0.85 -0.12 0.77 -0.89 0.21 0.00 0.00 175.17 175.99 1vij s THR 31 N -2.83 4.68 -0.25 -1.27 2.01 -1.26 -2.56 115.64 114.16 1vij s THR 31 Ca 0.25 1.65 -0.04 0.00 0.31 0.00 0.00 61.69 63.87 1vij s THR 31 Cb -0.02 -4.12 0.09 0.00 0.01 0.00 0.00 72.50 68.46 1vij s THR 31 CO 0.10 0.38 0.11 0.54 -0.69 0.00 0.00 174.62 175.06 1vij s VAL 32 N -0.18 0.13 0.16 3.82 0.11 -0.78 -2.22 120.40 121.43 1vij s VAL 32 Ca 0.38 -0.69 -0.03 0.00 -2.93 0.00 0.00 61.98 58.72 1vij s VAL 32 Cb -0.21 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 1vij s VAL 32 CO 0.24 -0.56 0.38 -0.76 -3.33 0.00 0.00 175.10 171.07 1vij s LEU 33 N 2.01 4.25 0.50 2.54 1.43 0.25 -1.13 118.68 128.53 1vij s LEU 33 Ca 0.06 0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 53.45 1vij s LEU 33 Cb -0.16 -3.26 -0.07 0.00 0.03 0.00 0.00 46.19 42.73 1vij s LEU 33 CO -0.25 0.02 1.37 -1.84 0.23 0.00 0.00 176.35 175.87 1vij n GLU 34 N -0.19 1.90 -1.47 1.70 0.28 -1.26 -0.50 120.64 121.10 1vij n GLU 34 Ca -0.03 0.69 -0.52 0.00 -0.16 0.00 0.00 57.16 57.14 1vij n GLU 34 Cb 0.52 -2.57 -0.07 0.00 1.43 0.00 0.00 31.44 30.75 1vij n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1vij n GLU 35 N -0.61 1.08 -4.02 3.44 4.07 -1.11 -4.52 120.64 118.96 1vij n GLU 35 Ca 0.08 0.31 -0.10 0.00 -0.06 0.00 0.00 57.16 57.40 1vij n GLU 35 Cb 0.43 -2.38 -0.07 0.00 -0.06 0.00 0.00 31.44 29.36 1vij n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1vij s MET 36 N 5.82 1.23 -0.67 5.31 0.23 -1.26 -5.00 119.30 124.95 1vij s MET 36 Ca 1.08 -1.28 -0.26 0.00 -1.03 0.00 0.00 55.69 54.20 1vij s MET 36 Cb -0.91 0.37 -0.07 0.00 -1.53 0.00 0.00 34.83 32.69 1vij s MET 36 CO 0.52 -0.45 2.19 1.21 -2.03 0.00 0.00 175.02 176.45 1vij s ASN 37 N -3.01 4.64 -0.12 -1.18 2.47 -1.26 -4.94 114.94 111.53 1vij s ASN 37 Ca 0.22 0.31 0.02 0.00 0.42 0.00 0.00 52.86 53.83 1vij s ASN 37 Cb 0.03 -2.53 -0.01 0.00 -1.45 0.00 0.00 41.25 37.30 1vij s ASN 37 CO 0.04 -2.98 -0.19 -0.22 -3.72 0.00 0.00 177.10 170.03 1vij s LEU 38 N 11.68 2.39 -0.20 3.21 2.96 -1.26 -4.95 118.68 132.51 1vij s LEU 38 Ca 0.84 -0.46 -0.24 0.00 -0.22 0.00 0.00 54.13 54.05 1vij s LEU 38 Cb -0.13 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1vij s LEU 38 CO 0.15 0.15 0.78 -2.16 -1.32 0.00 0.00 176.35 173.96 1vij s PRO 39 N 0.40 4.24 0.00 0.98 0.04 -1.26 -4.97 135.00 134.43 1vij s PRO 39 Ca -0.14 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1vij s PRO 39 Cb -0.17 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1vij s PRO 39 CO 0.06 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1vij n GLY 40 N 3.64 -0.16 3.88 0.56 0.00 -1.26 -5.09 105.19 106.76 1vij n GLY 40 Ca 0.03 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 1vij n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vij s ARG 41 N -1.71 3.48 0.12 1.61 1.70 -1.26 -5.10 118.95 117.80 1vij s ARG 41 Ca 0.00 -0.15 0.03 0.00 -0.47 0.00 0.00 55.73 55.14 1vij s ARG 41 Cb 0.00 -3.15 -0.04 0.00 -0.57 0.00 0.00 34.95 31.18 1vij s ARG 41 CO 0.00 0.73 -0.08 1.67 -1.08 0.00 0.00 175.30 176.55 1vij s TRP 42 N -1.14 1.08 -0.06 5.89 1.48 -1.26 -4.63 118.94 120.30 1vij s TRP 42 Ca 0.20 -0.85 0.03 0.00 -1.06 0.00 0.00 56.10 54.42 1vij s TRP 42 Cb -0.13 -0.58 0.01 0.00 -1.16 0.00 0.00 33.47 31.61 1vij s TRP 42 CO 0.10 -0.05 -0.14 0.15 -4.06 0.00 0.00 176.95 172.95 1vij s LYS 43 N -3.80 1.70 -0.57 3.25 3.01 -0.74 -4.93 119.74 117.66 1vij s LYS 43 Ca 0.15 -0.47 -0.19 0.00 -1.01 0.00 0.00 55.97 54.44 1vij s LYS 43 Cb 0.04 -1.42 0.09 0.00 -1.01 0.00 0.00 37.83 35.53 1vij s LYS 43 CO -0.02 0.10 0.67 -1.25 0.51 0.00 0.00 175.35 175.37 1vij s PRO 44 N 0.42 3.06 0.47 -1.68 0.04 -1.26 0.48 135.00 136.52 1vij s PRO 44 Ca -0.10 -1.21 0.02 0.00 0.04 0.00 0.00 61.00 59.75 1vij s PRO 44 Cb -0.14 -4.22 0.01 0.00 0.04 0.00 0.00 34.50 30.19 1vij s PRO 44 CO 0.03 -1.44 0.67 -1.59 0.04 0.00 0.00 177.00 174.71 1vij s LYS 45 N 2.63 2.88 -0.03 4.56 -2.85 -1.15 -4.90 119.74 120.87 1vij s LYS 45 Ca 0.12 -0.72 0.07 0.00 -1.00 0.00 0.00 55.97 54.43 1vij s LYS 45 Cb -0.23 -2.59 -0.02 0.00 -2.06 0.00 0.00 37.83 32.93 1vij s LYS 45 CO 0.08 -0.37 -0.23 -1.64 0.10 0.00 0.00 175.35 173.28 1vij s MET 46 N -4.56 2.29 0.11 1.78 -1.94 -1.26 -2.44 119.30 113.29 1vij s MET 46 Ca 0.51 -0.87 0.07 0.00 -1.71 0.00 0.00 55.69 53.70 1vij s MET 46 Cb -0.10 -2.15 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 1vij s MET 46 CO 0.37 0.54 -0.10 0.96 -0.01 0.00 0.00 175.02 176.78 1vij s ILE 47 N -0.55 3.35 -0.18 2.53 -4.36 -0.67 -4.98 121.20 116.34 1vij s ILE 47 Ca 0.08 -1.30 -0.04 0.00 -0.26 0.00 0.00 60.65 59.12 1vij s ILE 47 Cb -0.11 -2.58 -0.02 0.00 1.25 0.00 0.00 42.46 41.00 1vij s ILE 47 CO 0.00 0.09 -0.03 -0.83 0.24 0.00 0.00 174.94 174.41 1vij s GLY 48 N -2.26 1.69 0.20 6.27 0.00 -1.26 -2.23 107.32 109.74 1vij s GLY 48 Ca 0.22 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 44.05 1vij s GLY 48 CO 0.14 0.08 0.11 0.61 0.00 0.00 0.00 173.10 174.04 1vij n GLY 49 N 3.92 3.55 0.24 0.20 0.00 -1.22 -5.03 105.19 106.84 1vij n GLY 49 Ca -0.17 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 43.94 1vij n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1vij h ILE 50 N 1.46 1.19 0.00 -0.61 5.03 -2.01 -3.23 117.51 119.33 1vij h ILE 50 Ca -0.15 -0.83 0.00 0.00 -0.12 0.00 0.00 64.86 63.76 1vij h ILE 50 Cb 0.66 1.21 0.00 0.00 -3.03 0.00 0.00 36.82 35.66 1vij h ILE 50 CO 0.24 0.26 0.00 0.61 -0.68 0.00 0.00 178.15 178.58 1vij n GLY 51 N -0.83 -3.19 0.00 5.37 0.00 -1.26 -5.04 105.19 100.24 1vij n GLY 51 Ca -0.01 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.66 0.43 2.60 -0.02 0.00 -1.22 -5.14 105.19 101.18 1vij n GLY 52 Ca 0.00 0.46 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 1vij n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1vij s PHE 53 N 2.02 0.13 0.11 1.61 -0.71 -1.26 -3.37 117.98 116.51 1vij s PHE 53 Ca 0.00 -0.56 0.02 0.00 -1.04 0.00 0.00 56.93 55.35 1vij s PHE 53 Cb 0.00 -0.74 -0.04 0.00 -1.21 0.00 0.00 43.02 41.03 1vij s PHE 53 CO 0.00 -0.75 0.23 0.96 -1.34 0.00 0.00 175.22 174.31 1vij s ILE 54 N 2.17 5.20 -0.15 -4.49 -4.36 -0.95 -4.97 121.20 113.65 1vij s ILE 54 Ca 0.07 -0.63 -0.10 0.00 -0.26 0.00 0.00 60.65 59.73 1vij s ILE 54 Cb -0.16 -3.61 -0.05 0.00 1.25 0.00 0.00 42.46 39.90 1vij s ILE 54 CO -0.28 0.01 0.18 -1.59 0.24 0.00 0.00 174.94 173.50 1vij s LYS 55 N -2.90 3.93 0.29 0.37 0.00 -1.26 -1.67 119.74 118.50 1vij s LYS 55 Ca 0.34 -0.09 0.02 0.00 0.00 0.00 0.00 55.97 56.24 1vij s LYS 55 Cb -0.12 -3.33 -0.05 0.00 0.00 0.00 0.00 37.83 34.33 1vij s LYS 55 CO 0.27 0.48 0.09 0.14 0.00 0.00 0.00 175.35 176.33 1vij s VAL 56 N -0.19 0.76 -0.33 1.79 -7.23 -1.02 -4.41 120.40 109.77 1vij s VAL 56 Ca 0.13 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1vij s VAL 56 Cb -0.12 -2.68 0.09 0.00 0.56 0.00 0.00 36.38 34.23 1vij s VAL 56 CO 0.02 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 174.85 1vij s ARG 57 N -3.97 1.79 0.68 4.82 1.70 -1.18 -2.92 118.95 119.88 1vij s ARG 57 Ca 0.37 -1.71 -0.13 0.00 -0.47 0.00 0.00 55.73 53.79 1vij s ARG 57 Cb 0.08 -3.19 0.01 0.00 -0.57 0.00 0.00 34.95 31.27 1vij s ARG 57 CO 0.14 -0.86 1.08 1.14 -1.08 0.00 0.00 175.30 175.73 1vij s GLN 58 N 1.00 2.80 -0.08 3.89 -2.07 1.73 -2.96 119.66 123.98 1vij s GLN 58 Ca 0.05 1.20 -0.02 0.00 -1.82 0.00 0.00 55.36 54.77 1vij s GLN 58 Cb -0.20 -1.96 0.04 0.00 -1.09 0.00 0.00 33.01 29.79 1vij s GLN 58 CO -0.06 -1.23 0.04 0.71 -1.32 0.00 0.00 175.29 173.43 1vij s TYR 59 N -2.67 0.34 0.07 9.60 1.51 -0.08 -1.79 117.35 124.34 1vij s TYR 59 Ca 0.63 -0.03 -0.08 0.00 -1.01 0.00 0.00 57.07 56.58 1vij s TYR 59 Cb -0.17 -0.65 -0.05 0.00 -0.11 0.00 0.00 41.96 40.97 1vij s TYR 59 CO 0.47 -0.31 0.36 -0.51 -1.11 0.00 0.00 175.55 174.45 1vij s ASP 60 N 2.08 6.56 -1.06 2.29 1.11 -1.26 -0.74 116.67 125.65 1vij s ASP 60 Ca 0.04 0.68 -0.06 0.00 0.18 0.00 0.00 52.55 53.39 1vij s ASP 60 Cb -0.13 -2.13 0.01 0.00 1.07 0.00 0.00 42.92 41.74 1vij s ASP 60 CO -0.05 0.17 0.92 0.00 1.18 0.00 0.00 175.17 177.39 1vij n GLN 61 N 0.78 -6.17 -3.32 8.23 1.13 -1.17 -4.89 117.38 111.96 1vij n GLN 61 Ca -0.08 0.66 -0.38 0.00 -1.94 0.00 0.00 57.00 55.27 1vij n GLN 61 Cb 0.52 -5.19 -0.06 0.00 0.11 0.00 0.00 30.24 25.63 1vij n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1vij s ILE 62 N -3.26 4.80 0.09 5.09 -1.09 0.22 -4.73 121.20 122.31 1vij s ILE 62 Ca 0.39 1.09 -0.19 0.00 -2.23 0.00 0.00 60.65 59.71 1vij s ILE 62 Cb -0.17 -3.84 -0.07 0.00 -1.58 0.00 0.00 42.46 36.80 1vij s ILE 62 CO 0.58 0.50 0.58 -0.22 -1.23 0.00 0.00 174.94 175.15 1vij s LEU 63 N -1.26 4.52 -0.04 2.97 2.96 -1.26 -0.76 118.68 125.81 1vij s LEU 63 Ca 0.30 1.28 -0.00 0.00 -0.22 0.00 0.00 54.13 55.48 1vij s LEU 63 Cb -0.18 -2.95 0.03 0.00 0.50 0.00 0.00 46.19 43.58 1vij s LEU 63 CO 0.18 0.26 0.00 -0.63 -1.32 0.00 0.00 176.35 174.84 1vij s ILE 64 N -1.14 0.21 -0.36 6.68 1.01 -0.16 -4.61 121.20 122.84 1vij s ILE 64 Ca 0.30 0.10 -0.13 0.00 0.00 0.00 0.00 60.65 60.92 1vij s ILE 64 Cb -0.19 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 1vij s ILE 64 CO 0.19 0.17 0.25 -1.61 0.00 0.00 0.00 174.94 173.95 1vij s GLU 65 N 1.26 3.36 -0.21 2.79 0.41 -0.03 -2.29 118.70 124.00 1vij s GLU 65 Ca -0.06 -0.74 -0.01 0.00 -0.41 0.00 0.00 54.97 53.75 1vij s GLU 65 Cb -0.13 -3.85 0.01 0.00 -1.78 0.00 0.00 34.13 28.38 1vij s GLU 65 CO -0.02 -0.52 -0.11 0.42 -0.49 0.00 0.00 175.26 174.54 1vij s ILE 66 N 1.71 2.72 -1.30 -1.63 1.01 0.91 -1.62 121.20 123.01 1vij s ILE 66 Ca 0.06 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 1vij s ILE 66 Cb -0.18 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.06 1vij s ILE 66 CO 0.10 0.41 0.15 0.00 0.00 0.00 0.00 174.94 175.60 1vij n GLY 68 N -2.30 2.59 3.68 0.00 0.00 -1.26 -5.01 105.19 102.89 1vij n GLY 68 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.32 3.45 0.11 1.61 4.02 0.46 -5.06 115.29 117.56 1vij s HIS 69 Ca 0.00 1.18 -0.21 0.00 1.02 0.00 0.00 55.06 57.05 1vij s HIS 69 Cb 0.00 -2.91 -0.07 0.00 -1.02 0.00 0.00 32.58 28.58 1vij s HIS 69 CO 0.00 -0.13 0.64 0.21 1.02 0.00 0.00 174.74 176.48 1vij s LYS 70 N 1.71 4.32 -0.19 1.40 2.20 -1.26 0.31 119.74 128.22 1vij s LYS 70 Ca 0.36 0.88 -0.27 0.00 -0.36 0.00 0.00 55.97 56.57 1vij s LYS 70 Cb -0.17 -3.24 0.09 0.00 -1.51 0.00 0.00 37.83 33.00 1vij s LYS 70 CO 0.14 0.61 0.82 0.00 -0.36 0.00 0.00 175.35 176.56 1vij s ALA 71 N -1.13 -1.84 -0.12 3.13 0.00 -0.97 -4.80 121.76 116.03 1vij s ALA 71 Ca 0.31 1.73 0.01 0.00 0.00 0.00 0.00 51.96 54.02 1vij s ALA 71 Cb -0.21 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 1vij s ALA 71 CO 0.21 -0.32 -0.16 0.42 0.00 0.00 0.00 175.76 175.91 1vij s ILE 72 N -0.32 2.81 0.04 0.00 1.01 -1.26 -0.99 121.20 122.49 1vij s ILE 72 Ca -0.03 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 1vij s ILE 72 Cb -0.03 -2.15 0.05 0.00 0.01 0.00 0.00 42.46 40.34 1vij s ILE 72 CO 0.02 0.54 0.64 0.61 0.00 0.00 0.00 174.94 176.74 1vij n GLY 73 N 3.46 0.65 3.68 6.18 0.00 0.07 -4.89 105.19 114.34 1vij n GLY 73 Ca -0.18 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1vij n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vij s THR 74 N -2.18 4.57 0.15 2.61 2.01 -1.26 -0.61 115.64 120.92 1vij s THR 74 Ca 0.15 1.86 0.10 0.00 0.31 0.00 0.00 61.69 64.11 1vij s THR 74 Cb -0.01 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1vij s THR 74 CO 0.01 -0.02 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.00 1vij s VAL 75 N 2.25 2.50 -0.13 3.82 1.01 0.08 -4.47 120.40 125.45 1vij s VAL 75 Ca 0.51 -1.76 0.02 0.00 0.00 0.00 0.00 61.98 60.75 1vij s VAL 75 Cb -0.20 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1vij s VAL 75 CO 0.18 0.03 -0.20 -0.76 0.00 0.00 0.00 175.10 174.34 1vij s LEU 76 N -2.29 2.22 -0.03 3.92 1.43 -0.94 -0.90 118.68 122.08 1vij s LEU 76 Ca 0.17 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1vij s LEU 76 Cb -0.10 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1vij s LEU 76 CO 0.09 0.10 -0.02 -0.69 0.23 0.00 0.00 176.35 176.06 1vij s VAL 77 N 0.70 4.03 -0.50 -1.59 1.01 -1.15 0.84 120.40 123.73 1vij s VAL 77 Ca -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1vij s VAL 77 Cb -0.16 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1vij s VAL 77 CO 0.01 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1vij n GLY 78 N 1.75 -1.09 0.60 4.51 0.00 0.34 -3.08 105.19 108.22 1vij n GLY 78 Ca -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1vij n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vij n PRO 79 N 0.00 0.51 -2.23 1.61 -0.04 -1.26 -2.77 135.00 130.81 1vij n PRO 79 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1vij n PRO 79 Cb 0.00 -1.25 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 1vij n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1vij s THR 80 N -0.69 3.03 0.08 0.52 -1.32 -1.26 -5.01 115.64 110.99 1vij s THR 80 Ca 0.00 0.85 -0.10 0.00 -1.21 0.00 0.00 61.69 61.23 1vij s THR 80 Cb 0.00 -3.48 -0.24 0.00 -1.51 0.00 0.00 72.50 67.27 1vij s THR 80 CO 0.00 0.07 1.19 -0.65 -2.21 0.00 0.00 174.62 173.02 1vij h PRO 81 N 2.53 0.54 -5.71 7.08 0.11 -1.97 -3.43 132.00 131.14 1vij h PRO 81 Ca -0.49 -0.66 -0.56 0.00 0.11 0.00 0.00 66.00 64.40 1vij h PRO 81 Cb 1.24 0.21 -0.30 0.00 0.11 0.00 0.00 31.00 32.26 1vij h PRO 81 CO 0.62 1.27 -0.84 0.14 -0.21 0.00 0.00 178.00 178.98 1vij s VAL 82 N -3.11 1.44 0.10 3.15 -7.23 -1.26 -5.04 120.40 108.46 1vij s VAL 82 Ca -0.08 -0.78 -0.31 0.00 -1.81 0.00 0.00 61.98 59.01 1vij s VAL 82 Cb 0.07 -1.20 -0.09 0.00 0.56 0.00 0.00 36.38 35.72 1vij s VAL 82 CO 0.91 0.41 1.56 0.20 -0.31 0.00 0.00 175.10 177.86 1vij s ASN 83 N -0.38 6.66 -0.08 4.85 0.01 -1.26 -4.70 114.94 120.04 1vij s ASN 83 Ca 0.06 2.47 0.00 0.00 -0.71 0.00 0.00 52.86 54.68 1vij s ASN 83 Cb -0.08 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 1vij s ASN 83 CO -0.00 -0.81 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.08 1vij s ILE 84 N 1.83 3.72 -0.49 0.60 1.01 -0.29 -0.04 121.20 127.54 1vij s ILE 84 Ca 0.70 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.83 1vij s ILE 84 Cb -0.40 -2.53 0.13 0.00 0.01 0.00 0.00 42.46 39.67 1vij s ILE 84 CO 0.31 0.59 0.31 -0.63 0.00 0.00 0.00 174.94 175.52 1vij s ILE 85 N -0.67 3.69 0.00 2.92 -1.09 0.44 -1.87 121.20 124.62 1vij s ILE 85 Ca 0.10 -2.22 0.00 0.00 -2.23 0.00 0.00 60.65 56.30 1vij s ILE 85 Cb -0.11 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1vij s ILE 85 CO 0.02 -0.77 0.00 0.61 -1.23 0.00 0.00 174.94 173.57 1vij n GLY 86 N 4.38 -1.51 0.09 6.18 0.00 -1.06 -2.02 105.19 111.26 1vij n GLY 86 Ca -0.01 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.59 1vij n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vij n ARG 87 N -0.59 0.26 -0.25 1.61 1.74 0.41 -2.97 116.66 116.87 1vij n ARG 87 Ca 0.00 0.18 0.10 0.00 -0.77 0.00 0.00 57.85 57.37 1vij n ARG 87 Cb 0.00 -1.77 0.36 0.00 -1.02 0.00 0.00 32.46 30.03 1vij n ARG 87 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 1vij h ASN 88 N 0.00 0.68 0.00 0.55 -1.07 -0.98 -2.66 115.58 112.10 1vij h ASN 88 Ca 0.00 0.03 -0.25 0.00 0.07 0.00 0.00 56.30 56.15 1vij h ASN 88 Cb 0.73 -0.11 -0.05 0.00 -2.07 0.00 0.00 38.32 36.83 1vij h ASN 88 CO 0.00 0.37 -2.26 0.18 0.07 0.00 0.00 177.43 175.80 1vij n LEU 89 N -4.54 0.00 0.14 6.14 4.77 -1.18 -4.48 117.00 117.84 1vij n LEU 89 Ca 0.16 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.26 1vij n LEU 89 Cb 0.40 0.34 0.46 0.00 -2.33 0.00 0.00 43.42 42.29 1vij n LEU 89 CO 0.31 0.34 0.88 -0.07 -1.33 0.00 0.00 177.39 177.52 1vij h LEU 90 N 0.00 0.00 -0.76 2.23 3.38 -1.43 -1.24 115.31 117.49 1vij h LEU 90 Ca -0.38 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 1vij h LEU 90 Cb 1.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1vij h LEU 90 CO 0.02 0.00 -0.42 0.71 0.09 0.00 0.00 178.44 178.84 1vij h THR 91 N 0.00 1.31 -0.14 0.22 1.35 -1.70 -1.32 112.91 112.63 1vij h THR 91 Ca 0.00 -1.58 -0.20 0.00 -0.55 0.00 0.00 66.41 64.07 1vij h THR 91 Cb 0.54 1.63 0.01 0.00 -1.73 0.00 0.00 68.15 68.60 1vij h THR 91 CO 0.00 0.49 -0.71 1.56 -0.25 0.00 0.00 175.52 176.60 1vij h GLN 92 N 0.36 0.72 -0.00 4.72 4.20 -1.48 -3.15 115.11 120.48 1vij h GLN 92 Ca 0.03 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.14 1vij h GLN 92 Cb 0.89 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1vij h GLN 92 CO 0.07 1.21 0.00 0.44 -0.67 0.00 0.00 178.83 179.88 1vij n ILE 93 N -4.01 0.00 -2.49 2.54 -5.35 -1.10 -4.88 119.36 104.07 1vij n ILE 93 Ca -0.08 -0.02 -0.06 0.00 -0.27 0.00 0.00 62.75 62.33 1vij n ILE 93 Cb 0.71 -0.41 0.03 0.00 -1.74 0.00 0.00 39.64 38.23 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 0.98 0.15 3.79 3.28 0.00 -1.19 -5.07 105.19 107.13 1vij n GLY 94 Ca 0.22 -0.25 -0.36 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 -0.22 3.18 -0.41 0.00 -4.23 -1.26 -4.78 115.64 107.91 1vij s THR 96 Ca 0.15 -1.90 -0.14 0.00 -1.18 0.00 0.00 61.69 58.62 1vij s THR 96 Cb -0.13 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 71.10 1vij s THR 96 CO 0.04 -0.28 0.29 -0.22 -0.54 0.00 0.00 174.62 173.91 1vij s LEU 97 N -3.31 5.10 0.34 4.79 2.96 -1.26 -5.08 118.68 122.21 1vij s LEU 97 Ca 0.29 -1.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.22 1vij s LEU 97 Cb -0.07 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1vij s LEU 97 CO 0.17 -0.47 0.40 0.20 -1.32 0.00 0.00 176.35 175.33 1vij s ASN 98 N 1.84 5.70 0.00 3.68 0.01 -1.26 -5.29 114.94 119.61 1vij s ASN 98 Ca 0.04 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1vij s ASN 98 Cb -0.20 -1.12 0.00 0.00 0.41 0.00 0.00 41.25 40.34 1vij s ASN 98 CO 0.08 -0.41 0.00 2.22 -1.51 0.00 0.00 177.10 177.48