#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhf s LEU 1 N 0.00 4.47 0.07 1.04 2.96 -1.26 -0.97 118.68 124.99 1vhf s LEU 1 Ca 0.00 2.02 0.06 0.00 -0.22 0.00 0.00 54.13 55.99 1vhf s LEU 1 Cb 0.00 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1vhf s LEU 1 CO 0.00 -0.22 -0.16 0.27 -1.32 0.00 0.00 176.35 174.92 1vhf s ILE 2 N -0.02 1.24 -0.18 6.68 -4.36 -0.27 -4.07 121.20 120.21 1vhf s ILE 2 Ca 0.50 -1.28 -0.03 0.00 -0.26 0.00 0.00 60.65 59.58 1vhf s ILE 2 Cb -0.28 -1.16 -0.01 0.00 1.25 0.00 0.00 42.46 42.26 1vhf s ILE 2 CO 0.33 -0.13 -0.07 -0.76 0.24 0.00 0.00 174.94 174.55 1vhf s LEU 3 N -1.63 2.90 -0.19 0.37 1.43 -0.68 -1.93 118.68 118.96 1vhf s LEU 3 Ca 0.01 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1vhf s LEU 3 Cb -0.10 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1vhf s LEU 3 CO 0.02 0.07 -0.05 -0.69 0.23 0.00 0.00 176.35 175.94 1vhf s VAL 4 N 0.94 3.53 -0.07 -1.59 1.01 -0.30 0.08 120.40 124.00 1vhf s VAL 4 Ca -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1vhf s VAL 4 Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1vhf s VAL 4 CO 0.00 0.45 0.05 -0.47 0.00 0.00 0.00 175.10 175.14 1vhf s TYR 5 N 0.97 3.28 0.22 5.22 6.14 -0.17 -0.45 117.35 132.57 1vhf s TYR 5 Ca 0.00 0.26 -0.14 0.00 0.64 0.00 0.00 57.07 57.83 1vhf s TYR 5 Cb -0.15 -1.80 0.00 0.00 0.42 0.00 0.00 41.96 40.44 1vhf s TYR 5 CO 0.01 0.55 0.47 0.45 0.64 0.00 0.00 175.55 177.67 1vhf s SER 6 N -1.14 -0.12 0.14 4.32 0.15 -0.76 -2.41 113.70 113.87 1vhf s SER 6 Ca 0.16 -0.79 0.08 0.00 0.70 0.00 0.00 55.95 56.10 1vhf s SER 6 Cb -0.12 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1vhf s SER 6 CO 0.06 -1.09 -0.18 0.42 1.20 0.00 0.00 173.24 173.64 1vhf s THR 7 N -3.97 1.69 0.07 6.45 -4.23 -1.26 -1.02 115.64 113.38 1vhf s THR 7 Ca 0.18 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1vhf s THR 7 Cb -0.00 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 1vhf s THR 7 CO 0.05 -0.25 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.45 1vhf s PHE 8 N -1.76 0.76 0.19 3.99 0.40 0.90 -4.79 117.98 117.67 1vhf s PHE 8 Ca 0.11 -0.78 0.29 0.00 -0.60 0.00 0.00 56.93 55.96 1vhf s PHE 8 Cb -0.07 -0.46 1.25 0.00 0.51 0.00 0.00 43.02 44.25 1vhf s PHE 8 CO 0.05 -0.15 1.95 -1.00 0.70 0.00 0.00 175.22 176.77 1vhf h PRO 9 N 3.55 0.00 -3.23 0.24 0.13 -1.90 -0.47 132.00 130.33 1vhf h PRO 9 Ca -0.35 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1vhf h PRO 9 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1vhf h PRO 9 CO 0.56 0.11 0.13 0.54 -0.23 0.00 0.00 178.00 179.11 1vhf s ASN 10 N -5.94 -0.09 0.15 1.44 2.20 -1.26 -4.64 114.94 106.80 1vhf s ASN 10 Ca 0.00 -0.85 -0.12 0.00 -0.94 0.00 0.00 52.86 50.95 1vhf s ASN 10 Cb 0.10 0.72 0.00 0.00 -2.00 0.00 0.00 41.25 40.07 1vhf s ASN 10 CO 0.58 -1.37 1.56 -0.08 -2.94 0.00 0.00 177.10 174.86 1vhf h GLU 11 N 2.07 0.91 -0.86 3.55 4.81 -1.93 -2.71 114.58 120.42 1vhf h GLU 11 Ca -0.24 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 1vhf h GLU 11 Cb 1.25 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 1vhf h GLU 11 CO 0.31 1.00 0.46 0.93 -0.73 0.00 0.00 179.01 180.97 1vhf h GLU 12 N 0.76 1.21 -0.34 1.92 3.07 -1.99 -0.60 114.58 118.60 1vhf h GLU 12 Ca 0.12 -0.15 -0.16 0.00 -0.50 0.00 0.00 59.36 58.67 1vhf h GLU 12 Cb 0.66 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1vhf h GLU 12 CO 0.05 0.90 -0.40 -0.22 -1.40 0.00 0.00 179.01 177.93 1vhf h LYS 13 N 1.21 0.84 -0.22 2.33 1.63 -1.96 0.51 116.57 120.92 1vhf h LYS 13 Ca 0.30 -0.45 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1vhf h LYS 13 Cb 0.05 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1vhf h LYS 13 CO -0.05 1.09 0.09 0.00 -3.45 0.00 0.00 179.45 177.13 1vhf h ALA 14 N 0.85 0.28 -0.39 5.00 0.00 -1.09 -1.27 119.26 122.64 1vhf h ALA 14 Ca 0.05 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1vhf h ALA 14 Cb 0.98 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1vhf h ALA 14 CO 0.09 -0.13 -0.16 -0.07 0.00 0.00 0.00 179.25 178.98 1vhf h LEU 15 N 0.20 0.72 -0.45 0.00 3.38 -1.02 -0.69 115.31 117.47 1vhf h LEU 15 Ca 0.07 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1vhf h LEU 15 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1vhf h LEU 15 CO -0.01 0.89 -0.14 -0.08 0.09 0.00 0.00 178.44 179.19 1vhf h GLU 16 N 0.65 0.88 -0.46 1.13 4.81 -0.72 -0.02 114.58 120.86 1vhf h GLU 16 Ca 0.10 -0.36 -0.10 0.00 -0.13 0.00 0.00 59.36 58.87 1vhf h GLU 16 Cb 0.64 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1vhf h GLU 16 CO 0.04 1.00 -0.12 0.82 -0.73 0.00 0.00 179.01 180.02 1vhf h ILE 17 N 0.72 1.27 -0.45 2.32 2.04 -1.16 -0.38 117.51 121.86 1vhf h ILE 17 Ca 0.11 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1vhf h ILE 17 Cb 0.70 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1vhf h ILE 17 CO 0.05 0.43 0.29 1.23 0.00 0.00 0.00 178.15 180.15 1vhf h GLY 18 N 0.73 0.64 0.97 5.37 0.00 -0.97 -0.27 103.07 109.54 1vhf h GLY 18 Ca 0.11 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.21 1vhf h GLY 18 CO 0.05 0.25 0.54 -0.09 0.00 0.00 0.00 176.54 177.29 1vhf h ARG 19 N 0.61 1.06 -0.83 4.80 2.43 -0.68 -1.14 114.38 120.63 1vhf h ARG 19 Ca 0.16 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1vhf h ARG 19 Cb -0.04 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.23 1vhf h ARG 19 CO -0.03 0.70 0.37 0.87 -1.51 0.00 0.00 179.97 180.37 1vhf h LYS 20 N 1.10 1.21 -0.33 0.20 1.57 -0.51 0.47 116.57 120.27 1vhf h LYS 20 Ca 0.31 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1vhf h LYS 20 Cb -0.09 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 1vhf h LYS 20 CO -0.08 0.95 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.50 1vhf h LEU 21 N 1.19 0.61 -0.69 2.94 3.38 -0.80 -1.85 115.31 120.09 1vhf h LEU 21 Ca 0.28 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1vhf h LEU 21 Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1vhf h LEU 21 CO -0.03 0.80 -0.35 -0.07 0.09 0.00 0.00 178.44 178.88 1vhf h LEU 22 N 0.55 0.64 -1.11 1.67 3.38 -0.63 -1.25 115.31 118.55 1vhf h LEU 22 Ca 0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1vhf h LEU 22 Cb 0.62 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1vhf h LEU 22 CO 0.04 0.94 0.28 -0.33 0.09 0.00 0.00 178.44 179.46 1vhf h GLU 23 N 0.51 0.91 -0.00 1.13 5.08 -0.49 -0.94 114.58 120.77 1vhf h GLU 23 Ca 0.05 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1vhf h GLU 23 Cb 0.85 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1vhf h GLU 23 CO 0.07 0.72 -0.06 1.63 -1.00 0.00 0.00 179.01 180.38 1vhf n LYS 24 N -4.33 0.72 -3.43 2.33 5.02 -0.73 -4.91 118.16 112.82 1vhf n LYS 24 Ca 0.06 -0.16 -0.24 0.00 -2.02 0.00 0.00 58.31 55.94 1vhf n LYS 24 Cb 0.15 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 1vhf n LYS 24 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vhf n ARG 25 N -1.00 -6.62 0.06 1.97 1.74 -0.36 -4.89 116.66 107.56 1vhf n ARG 25 Ca 0.16 0.83 0.07 0.00 -0.77 0.00 0.00 57.85 58.14 1vhf n ARG 25 Cb 0.24 -5.80 -0.06 0.00 -1.02 0.00 0.00 32.46 25.83 1vhf n ARG 25 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1vhf n LEU 26 N -4.63 0.69 -4.17 0.55 4.77 -0.52 -4.62 117.00 109.07 1vhf n LEU 26 Ca -0.03 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1vhf n LEU 26 Cb 0.58 0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.57 1vhf n LEU 26 CO 0.60 -0.03 -0.40 0.27 -1.33 0.00 0.00 177.39 176.49 1vhf s ILE 27 N -3.22 0.83 -0.02 -0.08 -4.36 -1.24 -4.78 121.20 108.33 1vhf s ILE 27 Ca -0.03 -1.71 0.08 0.00 -0.26 0.00 0.00 60.65 58.73 1vhf s ILE 27 Cb 0.10 -1.43 -0.24 0.00 1.25 0.00 0.00 42.46 42.15 1vhf s ILE 27 CO 0.82 -0.66 0.76 0.00 0.24 0.00 0.00 174.94 176.10 1vhf h ALA 28 N 3.40 0.61 -1.77 2.27 0.00 -1.23 -3.43 119.26 119.11 1vhf h ALA 28 Ca -0.36 -1.33 0.27 0.00 0.00 0.00 0.00 54.91 53.49 1vhf h ALA 28 Cb 1.18 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 19.24 1vhf h ALA 28 CO 0.56 1.45 0.70 0.00 0.00 0.00 0.00 179.25 181.97 1vhf s PHE 30 N -2.74 0.66 -0.12 0.00 -0.12 -1.26 -1.24 117.98 113.15 1vhf s PHE 30 Ca 0.13 -0.77 0.00 0.00 -0.05 0.00 0.00 56.93 56.25 1vhf s PHE 30 Cb 0.02 -0.41 0.02 0.00 -0.63 0.00 0.00 43.02 42.03 1vhf s PHE 30 CO -0.02 -0.18 -0.11 -0.80 -0.05 0.00 0.00 175.22 174.06 1vhf s ASN 31 N -2.35 2.34 0.13 1.98 0.02 -0.25 -4.99 114.94 111.83 1vhf s ASN 31 Ca 0.00 -0.38 0.09 0.00 -1.02 0.00 0.00 52.86 51.56 1vhf s ASN 31 Cb -0.01 -0.98 -0.04 0.00 0.02 0.00 0.00 41.25 40.24 1vhf s ASN 31 CO -0.04 -0.07 -0.22 0.00 0.02 0.00 0.00 177.10 176.80 1vhf s ALA 32 N 1.44 2.03 -0.01 0.60 0.00 -1.26 -0.78 121.76 123.78 1vhf s ALA 32 Ca 0.02 -1.38 -0.25 0.00 0.00 0.00 0.00 51.96 50.35 1vhf s ALA 32 Cb -0.13 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.77 1vhf s ALA 32 CO -0.07 0.38 0.55 -0.59 0.00 0.00 0.00 175.76 176.03 1vhf s PHE 33 N -1.36 -0.48 0.32 0.00 -0.71 -0.06 -4.99 117.98 110.70 1vhf s PHE 33 Ca 0.11 0.73 -0.28 0.00 -1.04 0.00 0.00 56.93 56.46 1vhf s PHE 33 Cb -0.09 0.32 -0.09 0.00 -1.21 0.00 0.00 43.02 41.94 1vhf s PHE 33 CO 0.06 -0.57 1.09 -2.00 -1.34 0.00 0.00 175.22 172.46 1vhf s GLU 34 N -1.59 4.47 0.08 1.99 2.12 -1.26 -0.57 118.70 123.94 1vhf s GLU 34 Ca -0.10 1.73 0.02 0.00 0.36 0.00 0.00 54.97 56.98 1vhf s GLU 34 Cb -0.01 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1vhf s GLU 34 CO 0.05 0.08 -0.07 0.96 -0.54 0.00 0.00 175.26 175.75 1vhf s ILE 35 N -1.31 0.63 -0.05 -3.70 -4.36 -0.06 -4.87 121.20 107.49 1vhf s ILE 35 Ca 0.49 -1.69 -0.02 0.00 -0.26 0.00 0.00 60.65 59.17 1vhf s ILE 35 Cb -0.29 -1.38 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 1vhf s ILE 35 CO 0.37 -0.74 0.06 -0.13 0.24 0.00 0.00 174.94 174.75 1vhf s ARG 36 N -3.21 3.09 0.18 0.37 1.81 -1.26 -1.49 118.95 118.44 1vhf s ARG 36 Ca 0.06 -0.41 0.03 0.00 -1.72 0.00 0.00 55.73 53.68 1vhf s ARG 36 Cb 0.01 -2.89 -0.05 0.00 -0.45 0.00 0.00 34.95 31.58 1vhf s ARG 36 CO -0.04 0.68 -0.02 -1.54 -0.68 0.00 0.00 175.30 173.71 1vhf s SER 37 N -1.36 1.44 -0.09 0.23 1.04 -0.22 -4.94 113.70 109.80 1vhf s SER 37 Ca 0.19 -1.15 -0.09 0.00 0.48 0.00 0.00 55.95 55.37 1vhf s SER 37 Cb -0.12 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.10 1vhf s SER 37 CO 0.09 -0.52 0.25 -0.83 0.98 0.00 0.00 173.24 173.21 1vhf s GLY 38 N -3.20 -0.18 0.04 7.32 0.00 -1.26 -0.80 107.32 109.25 1vhf s GLY 38 Ca 0.23 0.65 -0.28 0.00 0.00 0.00 0.00 44.72 45.32 1vhf s GLY 38 CO 0.04 0.55 1.07 -2.52 0.00 0.00 0.00 173.10 172.24 1vhf s TYR 39 N 0.00 -0.14 0.21 1.90 -0.85 -1.03 -5.00 117.35 112.44 1vhf s TYR 39 Ca -0.01 -0.05 -0.23 0.00 -0.52 0.00 0.00 57.07 56.25 1vhf s TYR 39 Cb -0.02 0.58 -0.08 0.00 0.38 0.00 0.00 41.96 42.82 1vhf s TYR 39 CO 0.01 -0.55 0.78 -1.58 -1.52 0.00 0.00 175.55 172.69 1vhf s TRP 40 N -2.91 3.79 -0.17 -3.49 0.52 -1.26 -0.80 118.94 114.62 1vhf s TRP 40 Ca 0.11 1.57 -0.06 0.00 0.02 0.00 0.00 56.10 57.75 1vhf s TRP 40 Cb 0.01 -2.74 0.08 0.00 -1.15 0.00 0.00 33.47 29.67 1vhf s TRP 40 CO -0.02 0.42 0.35 -0.46 0.02 0.00 0.00 176.95 177.26 1vhf s TRP 41 N -1.34 -0.64 -1.56 -1.98 -0.11 0.54 -4.91 118.94 108.94 1vhf s TRP 41 Ca 0.40 1.26 -0.14 0.00 1.22 0.00 0.00 56.10 58.85 1vhf s TRP 41 Cb -0.20 0.15 0.10 0.00 -1.50 0.00 0.00 33.47 32.01 1vhf s TRP 41 CO 0.24 -0.44 0.89 1.63 -4.62 0.00 0.00 176.95 174.65 1vhf n LYS 42 N 5.37 -4.75 -0.91 5.86 5.02 -1.26 -1.82 118.16 125.67 1vhf n LYS 42 Ca -0.07 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1vhf n LYS 42 Cb 0.50 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.19 1vhf n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vhf n GLY 43 N -1.62 0.72 3.22 0.72 0.00 -1.26 -5.03 105.19 101.94 1vhf n GLY 43 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 1vhf n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vhf s GLU 44 N -0.09 0.96 -0.06 1.61 2.02 -0.76 -5.12 118.70 117.27 1vhf s GLU 44 Ca 0.00 -1.11 -0.25 0.00 0.02 0.00 0.00 54.97 53.63 1vhf s GLU 44 Cb 0.00 -0.95 -0.03 0.00 0.10 0.00 0.00 34.13 33.24 1vhf s GLU 44 CO 0.00 0.20 0.77 0.42 0.02 0.00 0.00 175.26 176.67 1vhf s ILE 45 N -1.64 4.99 0.19 -1.63 1.01 -1.26 -0.34 121.20 122.53 1vhf s ILE 45 Ca 0.04 1.59 0.11 0.00 0.00 0.00 0.00 60.65 62.40 1vhf s ILE 45 Cb -0.08 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1vhf s ILE 45 CO 0.03 0.21 -0.22 0.68 0.00 0.00 0.00 174.94 175.64 1vhf s VAL 46 N 0.96 2.48 -0.08 2.92 -7.23 0.02 -4.95 120.40 114.51 1vhf s VAL 46 Ca 0.41 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1vhf s VAL 46 Cb -0.18 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 1vhf s VAL 46 CO 0.20 -0.10 -0.13 -1.10 -0.31 0.00 0.00 175.10 173.65 1vhf s GLN 47 N -2.66 2.87 0.13 4.82 -0.21 -1.26 -2.47 119.66 120.89 1vhf s GLN 47 Ca 0.21 -0.68 -0.00 0.00 0.02 0.00 0.00 55.36 54.91 1vhf s GLN 47 Cb -0.08 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 1vhf s GLN 47 CO 0.10 0.46 0.04 0.34 -2.12 0.00 0.00 175.29 174.11 1vhf s ASP 48 N -0.30 0.52 -0.13 5.90 -1.08 0.02 -4.98 116.67 116.61 1vhf s ASP 48 Ca 0.03 -1.18 0.02 0.00 -0.52 0.00 0.00 52.55 50.90 1vhf s ASP 48 Cb -0.13 0.25 0.01 0.00 -1.46 0.00 0.00 42.92 41.59 1vhf s ASP 48 CO 0.03 -0.68 -0.21 -0.54 0.52 0.00 0.00 175.17 174.29 1vhf s LYS 49 N -4.01 2.87 0.29 4.34 1.02 -1.26 -1.06 119.74 121.94 1vhf s LYS 49 Ca 0.23 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.44 1vhf s LYS 49 Cb 0.07 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1vhf s LYS 49 CO 0.01 -0.03 0.28 -1.21 -0.92 0.00 0.00 175.35 173.49 1vhf s GLU 50 N 0.85 1.63 -0.10 1.68 2.02 -0.55 -4.81 118.70 119.42 1vhf s GLU 50 Ca -0.07 -1.83 0.03 0.00 0.02 0.00 0.00 54.97 53.12 1vhf s GLU 50 Cb -0.15 0.34 -0.01 0.00 0.10 0.00 0.00 34.13 34.41 1vhf s GLU 50 CO -0.02 -0.60 -0.20 -1.58 0.02 0.00 0.00 175.26 172.87 1vhf s TRP 51 N -3.59 2.62 0.22 1.61 0.52 -0.18 -0.88 118.94 119.25 1vhf s TRP 51 Ca 0.38 -0.81 0.02 0.00 0.02 0.00 0.00 56.10 55.71 1vhf s TRP 51 Cb 0.03 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 1vhf s TRP 51 CO 0.21 -0.28 0.37 0.00 0.02 0.00 0.00 176.95 177.27 1vhf s ALA 52 N 0.19 3.89 -0.04 0.98 0.00 0.26 -0.07 121.76 126.97 1vhf s ALA 52 Ca -0.12 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.67 1vhf s ALA 52 Cb -0.16 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.13 1vhf s ALA 52 CO 0.07 0.34 0.30 0.00 0.00 0.00 0.00 175.76 176.47 1vhf s ALA 53 N -1.92 -0.75 -0.14 0.00 0.00 -0.19 -0.89 121.76 117.88 1vhf s ALA 53 Ca 0.36 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 1vhf s ALA 53 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1vhf s ALA 53 CO 0.30 -0.23 -0.13 0.96 0.00 0.00 0.00 175.76 176.66 1vhf s ILE 54 N -0.95 3.00 -0.22 0.00 -4.36 0.04 -1.83 121.20 116.88 1vhf s ILE 54 Ca -0.10 -0.67 -0.04 0.00 -0.26 0.00 0.00 60.65 59.57 1vhf s ILE 54 Cb -0.05 -2.27 -0.01 0.00 1.25 0.00 0.00 42.46 41.38 1vhf s ILE 54 CO 0.03 0.52 -0.02 -0.36 0.24 0.00 0.00 174.94 175.34 1vhf s PHE 55 N 0.51 2.98 -0.20 1.37 0.08 0.40 -1.09 117.98 122.03 1vhf s PHE 55 Ca -0.09 -0.83 -0.12 0.00 0.12 0.00 0.00 56.93 56.02 1vhf s PHE 55 Cb -0.16 -2.13 -0.05 0.00 -0.57 0.00 0.00 43.02 40.12 1vhf s PHE 55 CO 0.04 -0.50 0.21 0.15 -0.10 0.00 0.00 175.22 175.02 1vhf s LYS 56 N 1.48 4.17 0.05 0.44 1.02 -0.38 -1.15 119.74 125.37 1vhf s LYS 56 Ca 0.06 -0.11 -0.01 0.00 0.02 0.00 0.00 55.97 55.93 1vhf s LYS 56 Cb -0.14 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1vhf s LYS 56 CO -0.02 0.16 0.09 -2.37 -0.92 0.00 0.00 175.35 172.30 1vhf n THR 57 N 3.89 0.00 -3.70 2.17 5.66 -0.81 -0.69 114.28 120.79 1vhf n THR 57 Ca -0.14 -0.20 -0.23 0.00 -3.05 0.00 0.00 64.05 60.44 1vhf n THR 57 Cb 0.52 0.15 -0.02 0.00 -1.55 0.00 0.00 70.33 69.43 1vhf n THR 57 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1vhf s THR 58 N -2.69 5.19 0.39 1.09 -4.23 -1.26 -1.12 115.64 113.03 1vhf s THR 58 Ca 0.03 -0.73 0.11 0.00 -1.18 0.00 0.00 61.69 59.93 1vhf s THR 58 Cb -0.00 -3.85 0.33 0.00 1.34 0.00 0.00 72.50 70.31 1vhf s THR 58 CO 0.02 -0.41 1.93 -0.33 -0.54 0.00 0.00 174.62 175.28 1vhf h GLU 59 N 1.06 0.54 0.00 3.99 5.08 -1.39 -1.68 114.58 122.18 1vhf h GLU 59 Ca -0.51 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 1vhf h GLU 59 Cb 1.22 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1vhf h GLU 59 CO 0.62 0.36 -0.05 0.93 -1.00 0.00 0.00 179.01 179.86 1vhf h GLU 60 N 0.56 0.00 -0.05 2.33 5.08 -1.95 -2.23 114.58 118.32 1vhf h GLU 60 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1vhf h GLU 60 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1vhf h GLU 60 CO -0.13 0.05 0.00 1.63 -1.00 0.00 0.00 179.01 179.56 1vhf n LYS 61 N -4.17 1.94 -0.07 2.33 4.76 -0.64 -4.56 118.16 117.75 1vhf n LYS 61 Ca -0.03 -1.37 -0.08 0.00 -2.87 0.00 0.00 58.31 53.96 1vhf n LYS 61 Cb 0.14 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.85 1vhf n LYS 61 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1vhf h GLU 62 N 3.26 0.26 -0.10 1.97 4.81 -1.34 0.14 114.58 123.59 1vhf h GLU 62 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1vhf h GLU 62 Cb 0.69 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1vhf h GLU 62 CO 0.00 0.17 0.06 0.87 -0.73 0.00 0.00 179.01 179.39 1vhf h LYS 63 N 0.27 0.13 -0.87 1.92 1.57 -1.80 0.77 116.57 118.56 1vhf h LYS 63 Ca 0.11 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1vhf h LYS 63 Cb 0.05 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1vhf h LYS 63 CO -0.09 0.09 0.44 0.93 -0.57 0.00 0.00 179.45 180.25 1vhf h GLU 64 N 0.13 1.24 -0.27 3.15 5.08 -1.81 -1.57 114.58 120.53 1vhf h GLU 64 Ca 0.04 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1vhf h GLU 64 Cb -0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1vhf h GLU 64 CO -0.01 0.93 0.02 1.25 -1.00 0.00 0.00 179.01 180.20 1vhf h LEU 65 N 1.23 0.45 -0.75 1.33 5.85 -0.70 -1.40 115.31 121.32 1vhf h LEU 65 Ca 0.30 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.83 1vhf h LEU 65 Cb 0.08 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 1vhf h LEU 65 CO -0.04 0.63 0.39 1.88 -0.34 0.00 0.00 178.44 180.96 1vhf h TYR 66 N 0.26 0.71 -0.29 1.25 -1.99 -0.53 0.77 116.97 117.14 1vhf h TYR 66 Ca 0.08 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.81 1vhf h TYR 66 Cb 0.39 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.90 1vhf h TYR 66 CO 0.03 0.27 0.07 0.93 -0.00 0.00 0.00 178.16 179.46 1vhf h GLU 67 N 0.66 0.47 -0.15 4.88 5.08 -1.10 -0.88 114.58 123.53 1vhf h GLU 67 Ca 0.37 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1vhf h GLU 67 Cb 0.37 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1vhf h GLU 67 CO -0.26 0.55 -0.05 1.49 -1.00 0.00 0.00 179.01 179.73 1vhf h GLU 68 N 0.30 0.30 -0.96 2.33 4.57 -1.09 -1.91 114.58 118.12 1vhf h GLU 68 Ca 0.09 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1vhf h GLU 68 Cb 0.29 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 1vhf h GLU 68 CO 0.00 0.60 0.62 1.25 -1.18 0.00 0.00 179.01 180.30 1vhf h LEU 69 N -0.02 1.12 -0.78 1.64 5.85 -0.82 -0.73 115.31 121.58 1vhf h LEU 69 Ca 0.04 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1vhf h LEU 69 Cb 0.50 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1vhf h LEU 69 CO 0.02 0.83 0.33 -0.09 -0.34 0.00 0.00 178.44 179.19 1vhf h ARG 70 N 1.31 1.16 0.00 1.25 9.65 -1.02 -1.86 114.38 124.87 1vhf h ARG 70 Ca 0.35 -0.20 -0.05 0.00 -1.10 0.00 0.00 59.98 58.99 1vhf h ARG 70 Cb -0.12 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.26 1vhf h ARG 70 CO -0.07 0.92 -0.23 0.87 2.80 0.00 0.00 179.97 184.26 1vhf h LYS 71 N 1.12 0.00 -0.01 0.20 1.57 -0.90 -2.75 116.57 115.81 1vhf h LYS 71 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1vhf h LYS 71 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1vhf h LYS 71 CO -0.03 0.23 -0.43 1.28 -0.57 0.00 0.00 179.45 179.94 1vhf n LEU 72 N -3.34 1.31 -4.75 2.94 4.77 -0.32 -4.99 117.00 112.61 1vhf n LEU 72 Ca 0.01 -0.42 -0.40 0.00 -0.03 0.00 0.00 56.01 55.16 1vhf n LEU 72 Cb 0.46 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1vhf n LEU 72 CO 0.34 0.25 0.73 -2.28 -1.33 0.00 0.00 177.39 175.10 1vhf s HIS 73 N -2.59 3.75 0.14 -1.77 2.46 -0.73 -4.93 115.29 111.62 1vhf s HIS 73 Ca 0.19 1.78 0.21 0.00 0.47 0.00 0.00 55.06 57.72 1vhf s HIS 73 Cb 0.18 -3.16 0.79 0.00 -0.13 0.00 0.00 32.58 30.27 1vhf s HIS 73 CO 0.59 -0.14 1.78 -1.00 -2.47 0.00 0.00 174.74 173.49 1vhf h PRO 74 N 4.09 0.00 -6.52 2.88 0.13 -1.91 -3.44 132.00 127.23 1vhf h PRO 74 Ca -0.46 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.14 1vhf h PRO 74 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1vhf h PRO 74 CO 0.68 0.29 0.14 0.71 -0.23 0.00 0.00 178.00 179.59 1vhf s TYR 75 N -3.62 3.81 0.22 1.56 2.02 -1.26 -4.99 117.35 115.08 1vhf s TYR 75 Ca 0.00 1.52 -0.03 0.00 -0.37 0.00 0.00 57.07 58.19 1vhf s TYR 75 Cb 0.10 -2.69 0.20 0.00 -0.40 0.00 0.00 41.96 39.17 1vhf s TYR 75 CO 0.66 0.46 1.62 1.49 -1.57 0.00 0.00 175.55 178.20 1vhf h GLU 76 N 4.01 0.69 -2.51 -0.62 4.81 -1.97 -3.35 114.58 115.65 1vhf h GLU 76 Ca -0.48 -0.30 -0.60 0.00 -0.13 0.00 0.00 59.36 57.85 1vhf h GLU 76 Cb 1.20 -0.02 -0.40 0.00 0.63 0.00 0.00 28.75 30.17 1vhf h GLU 76 CO 0.65 0.90 -0.85 2.41 -0.73 0.00 0.00 179.01 181.39 1vhf n THR 77 N -4.08 -0.08 -1.87 0.32 -1.04 -1.26 -5.11 114.28 101.16 1vhf n THR 77 Ca -0.01 -4.04 -0.32 0.00 -2.04 0.00 0.00 64.05 57.64 1vhf n THR 77 Cb 0.46 -1.88 0.02 0.00 -1.82 0.00 0.00 70.33 67.12 1vhf n THR 77 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1vhf s PRO 78 N -0.72 3.22 -0.24 -2.82 0.04 -1.26 -4.98 135.00 128.24 1vhf s PRO 78 Ca 0.31 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 1vhf s PRO 78 Cb 0.04 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 1vhf s PRO 78 CO -0.17 -0.88 1.27 0.00 0.04 0.00 0.00 177.00 177.26 1vhf s ALA 79 N -2.74 3.52 -0.10 8.56 0.00 -1.26 -4.98 121.76 124.75 1vhf s ALA 79 Ca 0.61 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.80 1vhf s ALA 79 Cb -0.14 -3.69 0.04 0.00 0.00 0.00 0.00 23.12 19.32 1vhf s ALA 79 CO 0.44 -1.47 0.02 0.42 0.00 0.00 0.00 175.76 175.18 1vhf s ILE 80 N 3.92 0.33 0.09 0.00 1.01 -1.26 -4.00 121.20 121.29 1vhf s ILE 80 Ca 0.55 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 61.07 1vhf s ILE 80 Cb -0.19 -0.61 0.01 0.00 0.01 0.00 0.00 42.46 41.68 1vhf s ILE 80 CO 0.18 0.11 0.26 0.72 0.00 0.00 0.00 174.94 176.21 1vhf s PHE 81 N 1.98 0.03 -0.11 3.97 -0.12 -1.01 -4.99 117.98 117.72 1vhf s PHE 81 Ca 0.03 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.54 1vhf s PHE 81 Cb -0.14 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.28 1vhf s PHE 81 CO -0.06 -0.57 -0.13 0.99 -0.05 0.00 0.00 175.22 175.40 1vhf s THR 82 N -3.63 3.08 -0.14 -4.49 2.01 -1.26 -0.99 115.64 110.21 1vhf s THR 82 Ca 0.03 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1vhf s THR 82 Cb 0.03 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1vhf s THR 82 CO -0.10 0.54 0.00 -0.76 -0.69 0.00 0.00 174.62 173.61 1vhf s LEU 83 N 0.08 3.49 0.14 4.42 1.43 0.11 -4.98 118.68 123.37 1vhf s LEU 83 Ca -0.05 0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1vhf s LEU 83 Cb -0.15 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1vhf s LEU 83 CO 0.04 0.22 0.36 -1.59 0.23 0.00 0.00 176.35 175.62 1vhf s LYS 84 N 0.04 3.59 -0.10 1.70 0.00 -1.26 -1.68 119.74 122.03 1vhf s LYS 84 Ca 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 55.97 55.78 1vhf s LYS 84 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 37.83 34.79 1vhf s LYS 84 CO 0.02 0.48 0.11 0.08 0.00 0.00 0.00 175.35 176.04 1vhf s VAL 85 N -1.66 5.23 -0.13 1.79 1.01 -1.26 -4.98 120.40 120.39 1vhf s VAL 85 Ca 0.40 0.06 0.16 0.00 0.00 0.00 0.00 61.98 62.60 1vhf s VAL 85 Cb -0.12 -3.28 -0.23 0.00 0.00 0.00 0.00 36.38 32.74 1vhf s VAL 85 CO 0.26 0.58 0.39 -0.62 0.00 0.00 0.00 175.10 175.71 1vhf n GLU 86 N 1.89 0.66 -3.71 2.72 -0.58 -1.26 -4.96 120.64 115.40 1vhf n GLU 86 Ca -0.19 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.56 1vhf n GLU 86 Cb 0.54 -1.65 -0.05 0.00 -0.57 0.00 0.00 31.44 29.71 1vhf n GLU 86 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1vhf s ASN 87 N -5.65 -0.11 -0.18 1.62 0.01 -1.26 -5.17 114.94 104.20 1vhf s ASN 87 Ca -0.07 -0.44 -0.19 0.00 -0.71 0.00 0.00 52.86 51.45 1vhf s ASN 87 Cb 0.08 0.43 0.05 0.00 0.41 0.00 0.00 41.25 42.22 1vhf s ASN 87 CO 0.83 -0.82 0.53 0.54 -1.51 0.00 0.00 177.10 176.67 1vhf s VAL 88 N -3.83 0.00 0.19 1.60 0.11 -1.26 -5.10 120.40 112.12 1vhf s VAL 88 Ca 0.04 -0.03 -0.32 0.00 -2.93 0.00 0.00 61.98 58.73 1vhf s VAL 88 Cb 0.03 -0.75 -0.12 0.00 -1.53 0.00 0.00 36.38 34.00 1vhf s VAL 88 CO -0.11 -0.02 1.71 -0.11 -3.33 0.00 0.00 175.10 173.24 1vhf n LEU 89 N 2.56 3.85 -0.14 2.54 7.94 -1.26 -4.87 117.00 127.62 1vhf n LEU 89 Ca -0.14 1.06 -0.04 0.00 -1.11 0.00 0.00 56.01 55.78 1vhf n LEU 89 Cb 0.56 -1.55 0.03 0.00 0.53 0.00 0.00 43.42 43.00 1vhf n LEU 89 CO 0.11 0.10 0.81 0.74 -1.11 0.00 0.00 177.39 178.04 1vhf h THR 90 N 3.84 0.60 -0.37 1.96 2.02 -2.06 -1.61 112.91 117.30 1vhf h THR 90 Ca -0.44 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1vhf h THR 90 Cb 1.21 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1vhf h THR 90 CO 0.95 0.01 0.11 -0.33 0.37 0.00 0.00 175.52 176.63 1vhf h GLU 91 N 0.05 0.52 -1.46 6.66 3.07 -2.06 -0.34 114.58 121.03 1vhf h GLU 91 Ca 0.22 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1vhf h GLU 91 Cb 0.33 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1vhf h GLU 91 CO -0.42 0.46 0.00 0.98 -1.40 0.00 0.00 179.01 178.64 1vhf n TYR 92 N -4.36 0.00 0.00 4.33 9.36 -0.61 -1.95 117.16 123.93 1vhf n TYR 92 Ca 0.02 -0.42 0.00 0.00 3.32 0.00 0.00 57.90 60.82 1vhf n TYR 92 Cb 0.16 -0.25 0.00 0.00 -0.63 0.00 0.00 39.34 38.62 1vhf n TYR 92 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1vhf n ASN 94 N 0.88 0.00 -0.22 2.98 3.02 -0.14 -0.75 115.26 121.03 1vhf n ASN 94 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1vhf n ASN 94 Cb 0.35 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.55 1vhf n ASN 94 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1vhf h TRP 95 N 0.00 0.93 -0.03 3.10 7.01 -1.66 -0.60 115.95 124.70 1vhf h TRP 95 Ca 0.00 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 1vhf h TRP 95 Cb 0.00 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 26.78 1vhf h TRP 95 CO 0.00 0.72 0.02 -0.07 -2.79 0.00 0.00 178.44 176.32 1vhf h LEU 96 N 0.86 0.03 -0.50 0.65 3.38 -1.22 -1.58 115.31 116.93 1vhf h LEU 96 Ca 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1vhf h LEU 96 Cb 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1vhf h LEU 96 CO -0.02 0.08 0.28 -0.09 0.09 0.00 0.00 178.44 178.78 1vhf h ARG 97 N -0.01 0.70 -0.15 1.13 2.43 -1.79 -2.68 114.38 114.01 1vhf h ARG 97 Ca 0.01 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1vhf h ARG 97 Cb 0.05 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1vhf h ARG 97 CO -0.00 0.54 -0.19 0.93 -1.51 0.00 0.00 179.97 179.73 1vhf h GLU 98 N 0.67 0.26 -0.40 0.20 4.39 -0.96 -3.14 114.58 115.58 1vhf h GLU 98 Ca 0.18 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 1vhf h GLU 98 Cb 0.04 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1vhf h GLU 98 CO -0.03 0.45 -0.17 0.77 -1.16 0.00 0.00 179.01 178.87 1vhf h SER 99 N 0.24 0.85 -0.01 1.42 0.02 -0.95 -3.51 113.55 111.60 1vhf h SER 99 Ca 0.04 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1vhf h SER 99 Cb 0.48 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1vhf h SER 99 CO 0.03 1.05 0.00 1.33 -1.14 0.00 0.00 176.83 178.10