#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdm n ASP 2 N 0.00 3.34 -4.64 7.83 5.68 -1.26 -4.93 116.55 122.57 1vdm n ASP 2 Ca 0.00 -2.31 -0.23 0.00 -0.50 0.00 0.00 54.79 51.75 1vdm n ASP 2 Cb 0.00 -0.48 -0.07 0.00 -1.14 0.00 0.00 41.12 39.43 1vdm n ASP 2 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1vdm s LYS 3 N -1.76 2.29 -0.29 0.11 1.02 -1.26 -4.15 119.74 115.69 1vdm s LYS 3 Ca 0.34 -1.42 -0.07 0.00 0.02 0.00 0.00 55.97 54.83 1vdm s LYS 3 Cb 0.22 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1vdm s LYS 3 CO 0.16 0.36 0.09 0.08 -0.92 0.00 0.00 175.35 175.12 1vdm s VAL 4 N -2.33 4.13 -0.67 3.17 1.01 -0.45 -4.97 120.40 120.29 1vdm s VAL 4 Ca 0.31 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 1vdm s VAL 4 Cb -0.06 -3.09 0.15 0.00 0.00 0.00 0.00 36.38 33.38 1vdm s VAL 4 CO 0.20 0.12 0.66 -0.31 0.00 0.00 0.00 175.10 175.77 1vdm s TYR 5 N 1.54 3.37 0.33 5.22 1.51 -1.26 -0.72 117.35 127.33 1vdm s TYR 5 Ca 0.04 -1.47 -0.29 0.00 -1.01 0.00 0.00 57.07 54.34 1vdm s TYR 5 Cb -0.17 -3.87 -0.10 0.00 -0.11 0.00 0.00 41.96 37.71 1vdm s TYR 5 CO 0.03 -1.08 1.31 -0.51 -1.11 0.00 0.00 175.55 174.19 1vdm s LEU 6 N 1.38 4.42 0.43 -1.29 1.43 -0.95 -5.01 118.68 119.09 1vdm s LEU 6 Ca 0.11 2.69 0.05 0.00 -1.03 0.00 0.00 54.13 55.94 1vdm s LEU 6 Cb -0.21 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.37 1vdm s LEU 6 CO -0.01 -0.55 0.60 0.42 0.23 0.00 0.00 176.35 177.04 1vdm s THR 7 N -1.07 3.47 0.40 5.49 -4.23 -1.26 -3.24 115.64 115.20 1vdm s THR 7 Ca 0.50 -0.83 0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1vdm s THR 7 Cb -0.40 -3.22 0.14 0.00 1.34 0.00 0.00 72.50 70.36 1vdm s THR 7 CO 0.52 -0.12 1.91 -0.50 -0.54 0.00 0.00 174.62 175.90 1vdm h TRP 8 N 0.55 0.10 0.00 3.99 4.06 -1.96 -1.27 115.95 121.42 1vdm h TRP 8 Ca -0.43 -0.01 -0.14 0.00 2.06 0.00 0.00 58.89 60.36 1vdm h TRP 8 Cb 1.27 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 29.38 1vdm h TRP 8 CO 0.41 0.32 -0.67 2.35 -3.56 0.00 0.00 178.44 177.29 1vdm h TRP 9 N 0.09 0.00 -0.15 0.49 -0.00 -1.98 0.11 115.95 114.51 1vdm h TRP 9 Ca 0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.77 1vdm h TRP 9 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.62 1vdm h TRP 9 CO 0.00 0.67 -0.45 1.96 -0.00 0.00 0.00 178.44 180.62 1vdm h GLN 10 N 0.00 0.57 -0.61 2.65 4.20 -1.82 -2.22 115.11 117.88 1vdm h GLN 10 Ca -0.01 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.24 1vdm h GLN 10 Cb 1.22 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.04 1vdm h GLN 10 CO 0.09 1.03 0.18 0.28 -0.67 0.00 0.00 178.83 179.74 1vdm h VAL 11 N 0.21 1.25 -0.66 -0.54 2.07 -1.14 -0.83 116.25 116.61 1vdm h VAL 11 Ca -0.01 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1vdm h VAL 11 Cb 1.07 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1vdm h VAL 11 CO 0.10 0.33 0.10 0.44 0.02 0.00 0.00 177.57 178.55 1vdm h ASP 12 N 0.88 1.05 0.52 0.57 3.32 -0.80 -1.75 116.42 120.21 1vdm h ASP 12 Ca 0.19 -0.25 -0.16 0.00 0.02 0.00 0.00 57.03 56.83 1vdm h ASP 12 Cb 0.31 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1vdm h ASP 12 CO -0.00 1.04 -0.70 0.03 -1.72 0.00 0.00 179.24 177.89 1vdm h ARG 13 N 1.02 0.15 -0.10 3.56 3.08 -1.25 -2.25 114.38 118.60 1vdm h ARG 13 Ca 0.20 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1vdm h ARG 13 Cb 0.45 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1vdm h ARG 13 CO 0.01 0.79 0.05 0.00 -1.07 0.00 0.00 179.97 179.75 1vdm h ALA 14 N 1.17 0.13 -0.09 0.04 0.00 -0.91 -1.65 119.26 117.95 1vdm h ALA 14 Ca -0.02 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1vdm h ALA 14 Cb 1.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1vdm h ALA 14 CO 0.10 -0.32 -0.01 0.82 0.00 0.00 0.00 179.25 179.84 1vdm h ILE 15 N 0.05 0.92 -0.87 0.00 2.04 -1.26 0.21 117.51 118.59 1vdm h ILE 15 Ca 0.03 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1vdm h ILE 15 Cb 0.10 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1vdm h ILE 15 CO -0.00 0.00 0.57 -0.26 0.00 0.00 0.00 178.15 178.46 1vdm h PHE 16 N 0.01 1.02 -0.06 1.37 0.04 -1.34 0.16 116.94 118.15 1vdm h PHE 16 Ca 0.04 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1vdm h PHE 16 Cb 0.06 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 37.87 1vdm h PHE 16 CO -0.14 0.56 0.02 0.00 -0.60 0.00 0.00 178.31 178.15 1vdm h ALA 17 N 1.51 0.08 -0.68 2.45 0.00 -0.75 -2.68 119.26 119.18 1vdm h ALA 17 Ca 0.36 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1vdm h ALA 17 Cb 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1vdm h ALA 17 CO -0.12 -0.32 0.43 -0.07 0.00 0.00 0.00 179.25 179.16 1vdm h LEU 18 N -0.09 0.71 -0.77 0.00 3.38 -0.19 -2.81 115.31 115.54 1vdm h LEU 18 Ca 0.02 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1vdm h LEU 18 Cb 0.20 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1vdm h LEU 18 CO -0.00 0.49 0.44 0.00 0.09 0.00 0.00 178.44 179.47 1vdm h ALA 19 N 1.29 1.07 -0.23 1.53 0.00 -0.57 0.20 119.26 122.54 1vdm h ALA 19 Ca 0.27 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1vdm h ALA 19 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1vdm h ALA 19 CO -0.10 0.11 -0.18 1.49 0.00 0.00 0.00 179.25 180.57 1vdm h GLU 20 N 0.78 0.40 -0.01 0.00 4.57 -1.22 -1.46 114.58 117.63 1vdm h GLU 20 Ca 0.36 -0.12 -0.24 0.00 -1.18 0.00 0.00 59.36 58.18 1vdm h GLU 20 Cb 0.26 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1vdm h GLU 20 CO -0.21 0.57 -0.96 0.87 -1.18 0.00 0.00 179.01 178.11 1vdm h LYS 21 N 0.37 0.53 0.00 1.92 6.56 -1.18 -3.19 116.57 121.58 1vdm h LYS 21 Ca 0.06 -0.56 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1vdm h LYS 21 Cb 0.53 0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 1vdm h LYS 21 CO 0.03 1.18 0.00 -0.07 -2.06 0.00 0.00 179.45 178.54 1vdm h LEU 22 N 0.31 0.00 -1.59 2.94 3.38 -0.25 -2.85 115.31 117.24 1vdm h LEU 22 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1vdm h LEU 22 Cb 1.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1vdm h LEU 22 CO 0.18 0.00 -0.09 0.03 0.09 0.00 0.00 178.44 178.65 1vdm h ARG 23 N 0.00 0.00 0.00 1.13 3.08 -1.26 -1.43 114.38 115.90 1vdm h ARG 23 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1vdm h ARG 23 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1vdm h ARG 23 CO 0.00 0.09 -0.50 0.93 -1.07 0.00 0.00 179.97 179.42 1vdm h GLU 24 N 0.00 0.00 0.21 0.04 5.08 -1.65 -3.28 114.58 114.98 1vdm h GLU 24 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1vdm h GLU 24 Cb 0.50 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.77 1vdm h GLU 24 CO 0.01 0.50 -1.61 -0.92 -1.00 0.00 0.00 179.01 175.99 1vdm h TYR 25 N 0.00 0.79 -4.39 4.33 3.20 -1.49 -3.50 116.97 115.92 1vdm h TYR 25 Ca -0.00 -0.58 -0.04 0.00 3.14 0.00 0.00 58.73 61.25 1vdm h TYR 25 Cb 1.28 -0.03 0.03 0.00 1.54 0.00 0.00 36.73 39.55 1vdm h TYR 25 CO 0.00 1.63 -0.13 1.63 -1.64 0.00 0.00 178.16 179.65 1vdm n LYS 26 N -3.68 -0.90 -2.13 1.82 5.02 -0.61 -4.97 118.16 112.71 1vdm n LYS 26 Ca -0.22 0.93 -0.41 0.00 -2.02 0.00 0.00 58.31 56.60 1vdm n LYS 26 Cb 1.07 -3.99 -0.02 0.00 -0.02 0.00 0.00 35.03 32.07 1vdm n LYS 26 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1vdm s PRO 27 N -3.21 4.36 -0.03 1.97 0.02 -1.26 -4.81 135.00 132.05 1vdm s PRO 27 Ca 0.07 2.20 0.13 0.00 0.02 0.00 0.00 61.00 63.42 1vdm s PRO 27 Cb -0.01 -3.09 -0.21 0.00 0.02 0.00 0.00 34.50 31.21 1vdm s PRO 27 CO 0.43 -0.19 0.69 -0.25 -0.33 0.00 0.00 177.00 177.35 1vdm n ASP 28 N 1.04 0.86 -3.74 2.53 9.92 -0.10 -4.96 116.55 122.10 1vdm n ASP 28 Ca 0.01 0.41 -0.11 0.00 -0.53 0.00 0.00 54.79 54.56 1vdm n ASP 28 Cb 0.42 -0.01 -0.07 0.00 -0.64 0.00 0.00 41.12 40.81 1vdm n ASP 28 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1vdm s VAL 29 N -2.66 0.08 -0.07 2.53 0.11 -1.21 -4.33 120.40 114.86 1vdm s VAL 29 Ca -0.04 -0.69 0.05 0.00 -2.93 0.00 0.00 61.98 58.37 1vdm s VAL 29 Cb 0.08 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1vdm s VAL 29 CO 0.82 -0.38 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.34 1vdm s ILE 30 N -2.77 2.03 -0.30 7.04 1.01 -0.91 -2.85 121.20 124.45 1vdm s ILE 30 Ca -0.03 -1.04 -0.05 0.00 0.00 0.00 0.00 60.65 59.53 1vdm s ILE 30 Cb -0.00 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.77 1vdm s ILE 30 CO -0.05 0.56 0.05 -0.63 0.00 0.00 0.00 174.94 174.87 1vdm s ILE 31 N 0.00 3.55 -0.13 2.92 1.01 -0.74 -1.76 121.20 126.04 1vdm s ILE 31 Ca -0.08 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.41 1vdm s ILE 31 Cb -0.15 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1vdm s ILE 31 CO 0.05 -0.00 0.41 -0.83 0.00 0.00 0.00 174.94 174.57 1vdm s GLY 32 N 1.40 2.33 -0.50 6.18 0.00 -0.17 -0.97 107.32 115.58 1vdm s GLY 32 Ca -0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 44.72 44.24 1vdm s GLY 32 CO 0.01 0.64 0.60 0.14 0.00 0.00 0.00 173.10 174.49 1vdm s VAL 33 N 0.56 4.91 0.67 1.40 1.01 -0.84 -1.46 120.40 126.65 1vdm s VAL 33 Ca 0.22 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1vdm s VAL 33 Cb -0.14 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1vdm s VAL 33 CO 0.08 -0.78 0.73 0.00 0.00 0.00 0.00 175.10 175.13 1vdm n ALA 34 N 6.08 -0.78 -0.11 5.51 0.00 -0.95 -1.03 120.51 129.23 1vdm n ALA 34 Ca -0.07 -0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 1vdm n ALA 34 Cb 0.45 -1.97 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 1vdm n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vdm n ARG 35 N -0.98 0.55 -0.21 0.00 3.00 -1.26 -4.57 116.66 113.18 1vdm n ARG 35 Ca 0.12 0.24 0.31 0.00 -0.01 0.00 0.00 57.85 58.51 1vdm n ARG 35 Cb 0.49 -1.47 0.71 0.00 0.00 0.00 0.00 32.46 32.20 1vdm n ARG 35 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1vdm h GLY 36 N -1.00 0.00 2.00 -0.13 0.00 -2.02 -0.32 103.07 101.60 1vdm h GLY 36 Ca -0.26 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1vdm h GLY 36 CO -0.16 0.00 -0.19 -1.33 0.00 0.00 0.00 176.54 174.87 1vdm h GLY 37 N 0.00 0.00 0.85 4.60 0.00 -1.33 -3.12 103.07 104.07 1vdm h GLY 37 Ca 0.47 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.84 1vdm h GLY 37 CO -0.00 0.00 0.56 1.41 0.00 0.00 0.00 176.54 178.51 1vdm h LEU 38 N 0.00 0.92 -0.27 3.11 3.38 -1.07 -2.27 115.31 119.11 1vdm h LEU 38 Ca -0.00 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1vdm h LEU 38 Cb 0.40 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1vdm h LEU 38 CO 0.02 0.63 -0.46 0.40 0.09 0.00 0.00 178.44 179.12 1vdm h ILE 39 N 1.08 0.00 -0.16 1.22 1.08 -1.71 0.42 117.51 119.44 1vdm h ILE 39 Ca 0.35 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.76 1vdm h ILE 39 Cb 0.04 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.77 1vdm h ILE 39 CO -0.13 0.00 -0.19 -0.65 -0.69 0.00 0.00 178.15 176.50 1vdm h PRO 40 N -0.38 0.26 -0.11 2.37 0.11 -1.73 -2.76 132.00 129.76 1vdm h PRO 40 Ca 0.05 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1vdm h PRO 40 Cb 0.52 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1vdm h PRO 40 CO -0.45 0.45 0.06 0.00 -0.21 0.00 0.00 178.00 177.85 1vdm h ALA 41 N 1.57 0.14 0.02 -0.75 0.00 -0.60 -0.71 119.26 118.92 1vdm h ALA 41 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vdm h ALA 41 Cb 0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vdm h ALA 41 CO 0.03 -0.33 -0.03 0.28 0.00 0.00 0.00 179.25 179.21 1vdm h VAL 42 N 0.10 0.93 -0.11 0.00 2.07 -0.09 -0.58 116.25 118.56 1vdm h VAL 42 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1vdm h VAL 42 Cb 0.06 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1vdm h VAL 42 CO -0.01 0.00 -0.05 0.03 0.02 0.00 0.00 177.57 177.56 1vdm h ARG 43 N -0.06 -0.04 -0.05 1.57 2.47 -1.41 -1.87 114.38 114.99 1vdm h ARG 43 Ca 0.01 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1vdm h ARG 43 Cb 0.06 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 1vdm h ARG 43 CO -0.02 -0.03 -0.08 -0.07 0.56 0.00 0.00 179.97 180.34 1vdm h LEU 44 N -0.04 0.07 0.23 3.04 3.38 -0.98 -0.43 115.31 120.57 1vdm h LEU 44 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1vdm h LEU 44 Cb 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1vdm h LEU 44 CO -0.13 0.16 -0.17 -1.28 0.09 0.00 0.00 178.44 177.11 1vdm h SER 45 N 0.07 -0.42 0.27 -0.43 0.87 -0.31 0.07 113.55 113.67 1vdm h SER 45 Ca 0.02 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1vdm h SER 45 Cb 0.19 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1vdm h SER 45 CO 0.01 -0.26 -0.13 0.45 -0.53 0.00 0.00 176.83 176.37 1vdm h HIS 46 N -0.40 -0.34 -1.00 2.24 3.86 -1.00 -1.04 115.15 117.48 1vdm h HIS 46 Ca -0.02 -0.01 0.22 0.00 -1.16 0.00 0.00 60.37 59.41 1vdm h HIS 46 Cb 0.35 0.11 -0.11 0.00 1.06 0.00 0.00 27.41 28.82 1vdm h HIS 46 CO -0.11 0.00 0.62 0.82 0.86 0.00 0.00 177.93 180.12 1vdm h ILE 47 N -0.72 0.62 -0.58 2.45 2.04 -1.06 -2.26 117.51 118.00 1vdm h ILE 47 Ca -0.04 -0.21 -0.39 0.00 1.00 0.00 0.00 64.86 65.22 1vdm h ILE 47 Cb 0.49 -0.05 -0.17 0.00 -0.74 0.00 0.00 36.82 36.35 1vdm h ILE 47 CO 0.06 0.11 0.51 0.18 0.00 0.00 0.00 178.15 179.01 1vdm n LEU 48 N -4.76 6.67 -1.24 1.44 4.77 0.01 -4.80 117.00 119.09 1vdm n LEU 48 Ca 0.25 -3.48 -0.06 0.00 -0.03 0.00 0.00 56.01 52.69 1vdm n LEU 48 Cb 0.69 -1.03 0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1vdm n LEU 48 CO 0.21 1.26 0.05 0.61 -1.33 0.00 0.00 177.39 178.19 1vdm n GLY 49 N 0.07 0.48 3.94 -0.72 0.00 -0.87 -4.05 105.19 104.04 1vdm n GLY 49 Ca 0.37 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1vdm n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vdm n ASP 50 N 0.37 -3.81 -4.85 1.61 10.43 -0.42 -4.95 116.55 114.93 1vdm n ASP 50 Ca -0.01 -1.17 -0.33 0.00 2.57 0.00 0.00 54.79 55.85 1vdm n ASP 50 Cb 0.52 -2.42 -0.06 0.00 1.84 0.00 0.00 41.12 41.00 1vdm n ASP 50 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1vdm s ILE 51 N -3.61 4.77 0.31 0.53 -4.36 -1.03 -4.99 121.20 112.82 1vdm s ILE 51 Ca 0.40 0.84 -0.25 0.00 -0.26 0.00 0.00 60.65 61.38 1vdm s ILE 51 Cb -0.19 -3.67 -0.15 0.00 1.25 0.00 0.00 42.46 39.70 1vdm s ILE 51 CO 0.93 -0.02 0.47 -2.65 0.24 0.00 0.00 174.94 173.90 1vdm n PRO 52 N 0.06 0.28 -4.45 0.37 -0.02 -1.26 -4.79 135.00 125.18 1vdm n PRO 52 Ca 0.00 0.10 -0.25 0.00 -2.02 0.00 0.00 63.50 61.33 1vdm n PRO 52 Cb 0.52 -1.20 -0.17 0.00 -0.02 0.00 0.00 33.50 32.63 1vdm n PRO 52 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1vdm s LEU 53 N 2.81 1.56 -0.07 2.45 2.96 -1.26 -2.14 118.68 124.98 1vdm s LEU 53 Ca 0.62 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.28 1vdm s LEU 53 Cb -0.76 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1vdm s LEU 53 CO 0.59 0.00 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.88 1vdm s LYS 54 N 0.86 2.68 -0.24 1.98 1.02 -0.72 -5.02 119.74 120.31 1vdm s LYS 54 Ca -0.11 -0.82 -0.09 0.00 0.02 0.00 0.00 55.97 54.97 1vdm s LYS 54 Cb -0.15 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1vdm s LYS 54 CO 0.01 0.41 0.12 0.08 -0.92 0.00 0.00 175.35 175.05 1vdm s VAL 55 N -0.21 4.93 -0.12 3.17 1.01 -1.26 -1.00 120.40 126.92 1vdm s VAL 55 Ca -0.01 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1vdm s VAL 55 Cb -0.13 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1vdm s VAL 55 CO 0.03 0.35 -0.23 -0.51 0.00 0.00 0.00 175.10 174.74 1vdm s ILE 56 N 1.22 2.04 -0.21 2.22 2.07 -0.54 -4.44 121.20 123.57 1vdm s ILE 56 Ca 0.06 -0.99 -0.01 0.00 -1.41 0.00 0.00 60.65 58.30 1vdm s ILE 56 Cb -0.14 -1.78 0.01 0.00 0.13 0.00 0.00 42.46 40.68 1vdm s ILE 56 CO 0.05 0.55 -0.13 -0.62 -1.91 0.00 0.00 174.94 172.88 1vdm s ASP 57 N 0.57 3.70 -0.18 4.50 3.68 -0.66 -2.24 116.67 126.05 1vdm s ASP 57 Ca -0.13 -0.64 -0.02 0.00 2.13 0.00 0.00 52.55 53.88 1vdm s ASP 57 Cb -0.17 -1.58 -0.01 0.00 -1.45 0.00 0.00 42.92 39.71 1vdm s ASP 57 CO 0.04 -0.03 -0.09 -0.69 0.13 0.00 0.00 175.17 174.53 1vdm s VAL 58 N 1.34 3.21 0.08 1.11 1.01 -1.26 -0.43 120.40 125.46 1vdm s VAL 58 Ca 0.04 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.54 1vdm s VAL 58 Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1vdm s VAL 58 CO -0.09 0.48 -0.26 -0.75 0.00 0.00 0.00 175.10 174.48 1vdm s LYS 59 N 0.95 1.64 -0.05 2.72 2.20 -0.00 -4.94 119.74 122.25 1vdm s LYS 59 Ca -0.01 -1.21 0.03 0.00 -0.36 0.00 0.00 55.97 54.42 1vdm s LYS 59 Cb -0.15 -1.96 -0.02 0.00 -1.51 0.00 0.00 37.83 34.19 1vdm s LYS 59 CO -0.00 0.49 -0.14 -0.06 -0.36 0.00 0.00 175.35 175.27 1vdm s PHE 60 N -0.93 2.70 0.00 4.03 0.40 -1.26 0.34 117.98 123.25 1vdm s PHE 60 Ca 0.13 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 1vdm s PHE 60 Cb -0.10 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1vdm s PHE 60 CO 0.04 0.15 0.00 1.63 0.70 0.00 0.00 175.22 177.74 1vdm n LYS 70 N 2.40 0.00 -1.65 0.44 4.76 -1.26 -5.00 118.16 117.85 1vdm n LYS 70 Ca -0.17 0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 54.91 1vdm n LYS 70 Cb 0.52 -0.37 -0.03 0.00 -1.84 0.00 0.00 35.03 33.32 1vdm n LYS 70 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1vdm s PRO 71 N -0.38 3.17 -0.12 1.97 0.04 -1.26 -4.96 135.00 133.45 1vdm s PRO 71 Ca 0.00 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.03 1vdm s PRO 71 Cb 0.00 -4.35 0.01 0.00 0.04 0.00 0.00 34.50 30.20 1vdm s PRO 71 CO 0.00 -2.06 -0.20 0.08 0.04 0.00 0.00 177.00 174.85 1vdm s VAL 72 N 8.10 1.85 -0.66 -0.36 1.01 0.15 -4.98 120.40 125.51 1vdm s VAL 72 Ca 0.98 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 61.83 1vdm s VAL 72 Cb -0.32 -1.64 0.04 0.00 0.00 0.00 0.00 36.38 34.46 1vdm s VAL 72 CO 0.35 0.51 1.17 -0.63 0.00 0.00 0.00 175.10 176.50 1vdm s ILE 73 N 0.73 3.97 0.26 2.22 1.01 -1.26 -0.82 121.20 127.30 1vdm s ILE 73 Ca -0.11 0.44 0.19 0.00 0.00 0.00 0.00 60.65 61.18 1vdm s ILE 73 Cb -0.16 -4.78 0.15 0.00 0.01 0.00 0.00 42.46 37.68 1vdm s ILE 73 CO 0.01 -1.56 1.81 0.74 0.00 0.00 0.00 174.94 175.95 1vdm h THR 74 N 6.06 0.91 -2.75 2.92 2.02 -1.11 -3.41 112.91 117.54 1vdm h THR 74 Ca -0.27 -1.29 -0.29 0.00 0.77 0.00 0.00 66.41 65.32 1vdm h THR 74 Cb 1.06 1.77 -0.35 0.00 -1.74 0.00 0.00 68.15 68.89 1vdm h THR 74 CO 1.21 0.32 -0.61 -0.63 0.37 0.00 0.00 175.52 176.19 1vdm s ILE 75 N -3.84 -0.32 0.22 3.11 1.01 -1.11 -4.91 121.20 115.37 1vdm s ILE 75 Ca -0.01 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.63 1vdm s ILE 75 Cb 0.12 -0.53 -0.07 0.00 0.01 0.00 0.00 42.46 41.99 1vdm s ILE 75 CO 0.68 -0.05 0.56 -2.16 0.00 0.00 0.00 174.94 173.97 1vdm s PRO 76 N 2.33 3.83 -0.19 2.79 0.04 -1.26 -1.65 135.00 140.89 1vdm s PRO 76 Ca 0.05 0.32 -0.07 0.00 0.04 0.00 0.00 61.00 61.33 1vdm s PRO 76 Cb -0.14 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1vdm s PRO 76 CO -0.10 0.33 0.06 0.96 0.04 0.00 0.00 177.00 178.30 1vdm s ILE 77 N -1.78 4.73 0.45 0.56 -4.36 -1.26 -4.89 121.20 114.65 1vdm s ILE 77 Ca 0.47 -0.05 0.06 0.00 -0.26 0.00 0.00 60.65 60.87 1vdm s ILE 77 Cb -0.12 -3.14 -0.03 0.00 1.25 0.00 0.00 42.46 40.42 1vdm s ILE 77 CO 0.21 0.44 0.22 -1.00 0.24 0.00 0.00 174.94 175.05 1vdm s HIS 78 N 0.54 2.33 0.00 1.37 3.76 -1.26 -5.06 115.29 116.97 1vdm s HIS 78 Ca 0.03 -0.68 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1vdm s HIS 78 Cb -0.13 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1vdm s HIS 78 CO 0.01 0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.35 1vdm n GLY 79 N -1.37 0.24 3.54 -2.22 0.00 -1.26 -4.96 105.19 99.16 1vdm n GLY 79 Ca -0.03 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 1vdm n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1vdm s ASP 80 N -1.72 5.13 -0.16 1.61 3.84 -1.26 -4.91 116.67 119.20 1vdm s ASP 80 Ca 0.00 -0.06 0.02 0.00 -0.00 0.00 0.00 52.55 52.51 1vdm s ASP 80 Cb 0.00 -1.86 0.25 0.00 -1.38 0.00 0.00 42.92 39.93 1vdm s ASP 80 CO 0.00 0.15 1.31 0.18 -0.00 0.00 0.00 175.17 176.82 1vdm n LEU 81 N 3.65 4.28 -4.66 2.11 4.77 -0.80 -4.90 117.00 121.45 1vdm n LEU 81 Ca -0.17 -2.22 -0.42 0.00 -0.03 0.00 0.00 56.01 53.17 1vdm n LEU 81 Cb 0.52 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1vdm n LEU 81 CO 0.34 0.68 1.54 -0.75 -1.33 0.00 0.00 177.39 177.87 1vdm s LYS 82 N -1.23 4.11 -1.19 3.23 2.47 -0.89 -1.78 119.74 124.46 1vdm s LYS 82 Ca 0.21 2.46 -0.07 0.00 -1.56 0.00 0.00 55.97 57.01 1vdm s LYS 82 Cb 0.17 -4.12 0.01 0.00 -1.46 0.00 0.00 37.83 32.43 1vdm s LYS 82 CO 0.04 -0.98 0.87 -0.25 0.16 0.00 0.00 175.35 175.19 1vdm n ASP 83 N 7.61 -5.63 -3.84 1.43 10.43 -1.26 -4.85 116.55 120.43 1vdm n ASP 83 Ca 0.20 -0.40 -0.27 0.00 2.57 0.00 0.00 54.79 56.89 1vdm n ASP 83 Cb 0.42 -4.30 -0.17 0.00 1.84 0.00 0.00 41.12 38.91 1vdm n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1vdm s LYS 84 N -5.95 1.15 -0.11 -1.24 1.02 -0.73 -4.84 119.74 109.04 1vdm s LYS 84 Ca 0.43 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.77 1vdm s LYS 84 Cb -0.19 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1vdm s LYS 84 CO 0.53 -0.43 1.61 1.03 -0.92 0.00 0.00 175.35 177.17 1vdm s ARG 85 N 1.74 4.08 0.08 1.68 0.52 -1.26 -2.94 118.95 122.86 1vdm s ARG 85 Ca 0.02 2.01 0.04 0.00 -0.52 0.00 0.00 55.73 57.27 1vdm s ARG 85 Cb -0.15 -3.98 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 1vdm s ARG 85 CO -0.07 -0.95 0.05 0.08 0.02 0.00 0.00 175.30 174.42 1vdm s VAL 86 N 4.30 4.33 -0.09 3.52 1.01 -0.05 -0.92 120.40 132.49 1vdm s VAL 86 Ca 0.71 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1vdm s VAL 86 Cb -0.30 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.03 1vdm s VAL 86 CO 0.28 0.13 -0.05 0.54 0.00 0.00 0.00 175.10 176.00 1vdm s VAL 87 N -1.35 0.75 -0.21 2.92 0.11 -1.13 -0.67 120.40 120.81 1vdm s VAL 87 Ca 0.28 -0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 59.03 1vdm s VAL 87 Cb -0.12 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1vdm s VAL 87 CO 0.20 0.32 0.47 -0.63 -3.33 0.00 0.00 175.10 172.13 1vdm s ILE 88 N 1.74 5.13 -0.23 7.04 1.01 0.15 -1.80 121.20 134.25 1vdm s ILE 88 Ca 0.04 0.84 -0.05 0.00 0.00 0.00 0.00 60.65 61.47 1vdm s ILE 88 Cb -0.13 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1vdm s ILE 88 CO -0.06 0.18 0.01 -0.69 0.00 0.00 0.00 174.94 174.38 1vdm s VAL 89 N 1.68 3.86 0.12 2.92 1.01 -0.15 -0.89 120.40 128.94 1vdm s VAL 89 Ca 0.21 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1vdm s VAL 89 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1vdm s VAL 89 CO 0.09 0.39 -0.05 -0.62 0.00 0.00 0.00 175.10 174.91 1vdm s ASP 90 N 1.44 1.21 0.00 3.32 2.15 -0.98 -1.99 116.67 121.82 1vdm s ASP 90 Ca 0.05 -1.04 -0.20 0.00 0.43 0.00 0.00 52.55 51.78 1vdm s ASP 90 Cb -0.15 0.09 -0.22 0.00 -0.30 0.00 0.00 42.92 42.35 1vdm s ASP 90 CO 0.00 -0.48 1.13 -2.24 -0.17 0.00 0.00 175.17 173.41 1vdm h ASP 91 N 2.89 0.48 -3.55 -0.34 3.04 -1.83 -3.20 116.42 113.91 1vdm h ASP 91 Ca -0.36 -0.72 -0.15 0.00 -3.24 0.00 0.00 57.03 52.56 1vdm h ASP 91 Cb 1.18 -0.15 -0.27 0.00 -1.04 0.00 0.00 39.33 39.05 1vdm h ASP 91 CO 0.64 1.14 -0.37 0.54 -2.04 0.00 0.00 179.24 179.15 1vdm s VAL 92 N -3.35 -0.02 -0.75 4.15 0.11 -1.26 -1.39 120.40 117.90 1vdm s VAL 92 Ca -0.14 0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 58.83 1vdm s VAL 92 Cb 0.04 -0.47 0.18 0.00 -1.53 0.00 0.00 36.38 34.59 1vdm s VAL 92 CO 0.80 0.03 0.74 -0.55 -3.33 0.00 0.00 175.10 172.79 1vdm s SER 93 N 0.80 6.56 -0.02 3.54 0.15 -0.97 -4.91 113.70 118.85 1vdm s SER 93 Ca -0.05 -2.29 -0.01 0.00 0.70 0.00 0.00 55.95 54.31 1vdm s SER 93 Cb -0.06 -2.24 -0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1vdm s SER 93 CO -0.06 -0.75 -0.01 -0.78 1.20 0.00 0.00 173.24 172.85 1vdm h ASP 94 N 8.29 0.00 0.00 5.45 -0.00 -1.90 -1.62 116.42 126.63 1vdm h ASP 94 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 57.03 56.73 1vdm h ASP 94 Cb 1.06 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 40.33 1vdm h ASP 94 CO 0.89 0.08 -2.14 0.35 -0.00 0.00 0.00 179.24 178.43 1vdm n THR 95 N -2.46 1.04 0.00 2.25 -2.24 -1.26 -2.57 114.28 109.05 1vdm n THR 95 Ca -0.00 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1vdm n THR 95 Cb 0.02 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1vdm n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vdm n GLY 96 N 1.89 0.25 0.39 3.38 0.00 -1.26 -0.71 105.19 109.13 1vdm n GLY 96 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 1vdm n GLY 96 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vdm h LYS 97 N 3.41 -0.62 -0.25 1.61 3.64 -1.98 -0.15 116.57 122.22 1vdm h LYS 97 Ca 0.00 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1vdm h LYS 97 Cb 0.00 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1vdm h LYS 97 CO 0.00 -0.42 0.12 1.15 -2.27 0.00 0.00 179.45 178.04 1vdm h THR 98 N -0.65 1.14 -0.66 1.00 2.02 -1.97 -2.88 112.91 110.91 1vdm h THR 98 Ca 0.01 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 66.85 1vdm h THR 98 Cb 0.66 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1vdm h THR 98 CO -0.19 0.14 0.44 -0.07 0.37 0.00 0.00 175.52 176.20 1vdm h LEU 99 N 0.28 0.63 -0.73 2.58 3.38 -1.92 -0.84 115.31 118.69 1vdm h LEU 99 Ca 0.09 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1vdm h LEU 99 Cb 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1vdm h LEU 99 CO -0.01 0.42 0.05 -0.33 0.09 0.00 0.00 178.44 178.65 1vdm h GLU 100 N 0.72 1.02 -0.80 1.13 5.08 -0.86 0.21 114.58 121.08 1vdm h GLU 100 Ca 0.28 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1vdm h GLU 100 Cb 0.18 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1vdm h GLU 100 CO -0.08 0.97 0.40 0.28 -1.00 0.00 0.00 179.01 179.58 1vdm h VAL 101 N 0.95 1.24 -0.32 3.13 2.07 -1.02 -2.82 116.25 119.48 1vdm h VAL 101 Ca 0.18 -0.66 -0.13 0.00 0.82 0.00 0.00 66.70 66.91 1vdm h VAL 101 Cb 0.48 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1vdm h VAL 101 CO 0.02 0.29 -0.33 0.58 0.02 0.00 0.00 177.57 178.14 1vdm h VAL 102 N 1.13 1.28 -0.47 2.57 2.07 -0.76 -2.78 116.25 119.31 1vdm h VAL 102 Ca 0.28 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.34 1vdm h VAL 102 Cb 0.09 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1vdm h VAL 102 CO -0.04 0.48 0.31 0.40 0.02 0.00 0.00 177.57 178.74 1vdm h ILE 103 N 0.60 1.07 0.19 4.57 2.04 -0.73 -2.64 117.51 122.61 1vdm h ILE 103 Ca 0.06 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1vdm h ILE 103 Cb 0.86 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1vdm h ILE 103 CO 0.07 0.10 -0.09 -0.33 0.00 0.00 0.00 178.15 177.91 1vdm h GLU 104 N 0.56 -0.24 -1.08 2.37 4.39 -1.26 -2.61 114.58 116.72 1vdm h GLU 104 Ca 0.18 0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.21 1vdm h GLU 104 Cb 0.04 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1vdm h GLU 104 CO -0.04 -0.16 0.98 0.93 -1.16 0.00 0.00 179.01 179.55 1vdm h GLU 105 N -0.28 0.00 0.17 2.33 4.39 -1.44 0.53 114.58 120.28 1vdm h GLU 105 Ca -0.03 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.38 1vdm h GLU 105 Cb 0.19 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1vdm h GLU 105 CO 0.04 0.00 -1.32 0.28 -1.16 0.00 0.00 179.01 176.86 1vdm h VAL 106 N 0.00 1.41 -0.02 3.13 2.07 -1.42 -3.13 116.25 118.29 1vdm h VAL 106 Ca 0.51 -2.89 -0.19 0.00 0.82 0.00 0.00 66.70 64.95 1vdm h VAL 106 Cb 2.46 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 35.18 1vdm h VAL 106 CO -0.01 0.85 -0.82 0.11 0.02 0.00 0.00 177.57 177.73 1vdm h LYS 107 N 0.11 0.28 -0.02 1.57 1.57 0.34 -2.83 116.57 117.60 1vdm h LYS 107 Ca -0.18 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1vdm h LYS 107 Cb 2.03 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 34.41 1vdm h LYS 107 CO 0.23 0.96 0.02 0.87 -0.57 0.00 0.00 179.45 180.96 1vdm h LYS 108 N 0.17 0.00 -0.61 3.15 1.57 -0.96 0.81 116.57 120.70 1vdm h LYS 108 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1vdm h LYS 108 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1vdm h LYS 108 CO 0.13 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.29 1vdm n LEU 109 N -3.87 3.41 -3.17 2.94 4.77 -1.08 -4.98 117.00 115.02 1vdm n LEU 109 Ca -0.03 -1.71 -0.14 0.00 -0.03 0.00 0.00 56.01 54.11 1vdm n LEU 109 Cb 0.11 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1vdm n LEU 109 CO 0.28 0.79 0.04 0.61 -1.33 0.00 0.00 177.39 177.77 1vdm n GLY 110 N 1.37 -1.03 3.71 -0.72 0.00 0.28 -1.90 105.19 106.90 1vdm n GLY 110 Ca 0.21 0.91 -0.40 0.00 0.00 0.00 0.00 46.02 46.74 1vdm n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vdm s ALA 111 N -2.58 3.39 0.40 4.61 0.00 -1.17 -2.09 121.76 124.31 1vdm s ALA 111 Ca 0.16 0.05 0.17 0.00 0.00 0.00 0.00 51.96 52.34 1vdm s ALA 111 Cb -0.03 -2.95 1.06 0.00 0.00 0.00 0.00 23.12 21.20 1vdm s ALA 111 CO 0.80 -0.19 1.82 -0.22 0.00 0.00 0.00 175.76 177.97 1vdm h LYS 112 N 6.89 0.42 -2.40 0.00 3.64 -1.40 -3.43 116.57 120.29 1vdm h LYS 112 Ca -0.39 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1vdm h LYS 112 Cb 1.18 -0.09 -0.16 0.00 -0.41 0.00 0.00 32.23 32.75 1vdm h LYS 112 CO 0.76 0.28 0.29 -2.00 -2.27 0.00 0.00 179.45 176.51 1vdm s GLU 113 N -5.48 1.05 -0.03 1.90 2.12 -1.24 -4.92 118.70 112.10 1vdm s GLU 113 Ca -0.09 -0.14 -0.00 0.00 0.36 0.00 0.00 54.97 55.10 1vdm s GLU 113 Cb 0.24 0.49 0.03 0.00 0.26 0.00 0.00 34.13 35.14 1vdm s GLU 113 CO 0.79 -0.41 0.02 0.42 -0.54 0.00 0.00 175.26 175.54 1vdm s ILE 114 N -2.55 0.10 0.15 -3.70 1.01 -1.26 -0.87 121.20 114.08 1vdm s ILE 114 Ca -0.02 0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.88 1vdm s ILE 114 Cb -0.01 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 1vdm s ILE 114 CO -0.04 0.15 -0.16 -0.75 0.00 0.00 0.00 174.94 174.15 1vdm s LYS 115 N 1.38 1.17 -0.04 2.79 2.47 0.16 -4.99 119.74 122.67 1vdm s LYS 115 Ca -0.05 -1.37 0.04 0.00 -1.56 0.00 0.00 55.97 53.04 1vdm s LYS 115 Cb -0.13 -1.09 -0.00 0.00 -1.46 0.00 0.00 37.83 35.14 1vdm s LYS 115 CO -0.03 0.21 -0.17 0.42 0.16 0.00 0.00 175.35 175.94 1vdm s ILE 116 N -2.27 1.41 -0.06 5.43 1.01 -1.26 0.32 121.20 125.78 1vdm s ILE 116 Ca 0.14 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1vdm s ILE 116 Cb -0.04 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.24 1vdm s ILE 116 CO 0.05 0.41 -0.07 0.00 0.00 0.00 0.00 174.94 175.32 1vdm s ALA 117 N 0.03 0.95 0.21 9.38 0.00 -0.07 -0.78 121.76 131.48 1vdm s ALA 117 Ca -0.04 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1vdm s ALA 117 Cb -0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1vdm s ALA 117 CO 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 175.76 175.75 1vdm h LEU 119 N 2.56 0.02 -9.61 0.00 3.38 -1.22 -3.26 115.31 107.18 1vdm h LEU 119 Ca -0.38 -0.95 -0.59 0.00 0.09 0.00 0.00 57.88 56.06 1vdm h LEU 119 Cb 1.22 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 1vdm h LEU 119 CO 0.63 1.06 -0.55 0.00 0.09 0.00 0.00 178.44 179.67 1vdm s ALA 120 N -2.24 3.19 -0.27 1.53 0.00 -0.55 -0.23 121.76 123.18 1vdm s ALA 120 Ca -0.20 -1.39 -0.25 0.00 0.00 0.00 0.00 51.96 50.12 1vdm s ALA 120 Cb -0.02 0.40 0.12 0.00 0.00 0.00 0.00 23.12 23.62 1vdm s ALA 120 CO 0.68 -0.20 1.00 0.00 0.00 0.00 0.00 175.76 177.25 1vdm s MET 121 N -3.80 0.54 0.14 0.00 0.23 -0.80 -2.30 119.30 113.32 1vdm s MET 121 Ca 0.24 0.62 0.03 0.00 -1.03 0.00 0.00 55.69 55.54 1vdm s MET 121 Cb 0.05 0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 1vdm s MET 121 CO 0.12 -0.07 0.25 0.15 -2.03 0.00 0.00 175.02 173.44 1vdm s LYS 122 N 0.18 3.33 0.28 3.16 1.02 -0.61 -3.16 119.74 123.94 1vdm s LYS 122 Ca 0.03 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.38 1vdm s LYS 122 Cb -0.05 -2.91 0.65 0.00 -0.52 0.00 0.00 37.83 35.01 1vdm s LYS 122 CO -0.05 0.52 1.64 -1.35 -0.92 0.00 0.00 175.35 175.19 1vdm h PRO 123 N 2.28 0.18 -0.00 -1.68 0.11 -1.90 -2.50 132.00 128.49 1vdm h PRO 123 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1vdm h PRO 123 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1vdm h PRO 123 CO 0.68 0.12 -0.13 -2.67 -0.21 0.00 0.00 178.00 175.79 1vdm n TRP 124 N -5.26 0.00 -1.54 0.65 2.14 -1.26 -4.95 117.44 107.21 1vdm n TRP 124 Ca 0.20 0.00 -0.39 0.00 2.07 0.00 0.00 57.50 59.38 1vdm n TRP 124 Cb 0.64 -0.25 0.03 0.00 -0.81 0.00 0.00 31.31 30.92 1vdm n TRP 124 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1vdm n THR 125 N -1.13 2.74 0.87 -1.67 5.66 -0.94 -4.85 114.28 114.95 1vdm n THR 125 Ca 0.12 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 60.73 1vdm n THR 125 Cb 0.29 -0.92 0.30 0.00 -1.55 0.00 0.00 70.33 68.46 1vdm n THR 125 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1vdm n SER 126 N 0.14 2.39 -3.49 1.09 3.41 0.12 -4.61 113.62 112.67 1vdm n SER 126 Ca 0.12 -1.83 -0.29 0.00 -0.26 0.00 0.00 58.87 56.61 1vdm n SER 126 Cb 0.45 -0.16 -0.13 0.00 -0.26 0.00 0.00 64.21 64.11 1vdm n SER 126 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1vdm s VAL 127 N -1.68 0.13 -0.11 -3.33 1.01 -1.26 -4.97 120.40 110.19 1vdm s VAL 127 Ca 0.34 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 1vdm s VAL 127 Cb 0.19 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1vdm s VAL 127 CO 0.28 -0.93 1.30 -0.69 0.00 0.00 0.00 175.10 175.06 1vdm s VAL 128 N 1.28 4.15 0.74 2.92 1.01 -1.26 -4.89 120.40 124.35 1vdm s VAL 128 Ca 0.16 1.42 -0.15 0.00 0.00 0.00 0.00 61.98 63.42 1vdm s VAL 128 Cb -0.22 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.29 1vdm s VAL 128 CO -0.07 -0.08 1.20 -2.84 0.00 0.00 0.00 175.10 173.30 1vdm s PRO 129 N 3.13 2.08 0.22 2.72 0.02 -1.26 -4.91 135.00 137.00 1vdm s PRO 129 Ca 0.58 1.73 0.04 0.00 0.02 0.00 0.00 61.00 63.36 1vdm s PRO 129 Cb -0.25 -1.83 0.19 0.00 0.02 0.00 0.00 34.50 32.64 1vdm s PRO 129 CO 0.19 -1.87 1.52 -0.44 -0.33 0.00 0.00 177.00 176.07 1vdm h ASP 130 N -0.41 0.29 -3.42 2.53 5.19 -1.34 -3.43 116.42 115.83 1vdm h ASP 130 Ca -0.47 -0.18 -0.34 0.00 -0.62 0.00 0.00 57.03 55.42 1vdm h ASP 130 Cb 1.29 -0.08 -0.36 0.00 0.18 0.00 0.00 39.33 40.36 1vdm h ASP 130 CO 0.49 0.86 -0.74 -0.31 -3.12 0.00 0.00 179.24 176.42 1vdm s TYR 131 N -3.66 0.13 0.24 4.55 1.51 -0.75 -5.01 117.35 114.35 1vdm s TYR 131 Ca -0.04 0.14 -0.09 0.00 -1.01 0.00 0.00 57.07 56.06 1vdm s TYR 131 Cb 0.12 -0.39 -0.01 0.00 -0.11 0.00 0.00 41.96 41.56 1vdm s TYR 131 CO 0.81 -0.15 0.38 1.52 -1.11 0.00 0.00 175.55 177.00 1vdm s TYR 132 N 1.53 0.59 0.06 2.71 -0.85 -1.26 -0.76 117.35 119.37 1vdm s TYR 132 Ca -0.03 -0.91 -0.02 0.00 -0.52 0.00 0.00 57.07 55.59 1vdm s TYR 132 Cb -0.13 -0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 1vdm s TYR 132 CO -0.03 -0.90 -0.04 0.28 -1.52 0.00 0.00 175.55 173.34 1vdm n VAL 133 N -0.35 1.16 -3.59 -3.49 0.31 -0.35 -5.00 118.33 107.02 1vdm n VAL 133 Ca -0.01 0.34 -0.37 0.00 -0.01 0.00 0.00 64.34 64.29 1vdm n VAL 133 Cb 0.63 -1.66 -0.06 0.00 -0.91 0.00 0.00 33.84 31.84 1vdm n VAL 133 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1vdm s PHE 134 N -2.10 3.67 -0.10 3.52 0.40 0.67 -4.99 117.98 119.04 1vdm s PHE 134 Ca -0.03 0.85 0.03 0.00 -0.60 0.00 0.00 56.93 57.18 1vdm s PHE 134 Cb 0.01 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.35 1vdm s PHE 134 CO 0.05 0.63 -0.20 0.50 0.70 0.00 0.00 175.22 176.90 1vdm s ARG 135 N -1.30 2.66 0.25 0.44 3.52 -1.26 -1.91 118.95 121.34 1vdm s ARG 135 Ca 0.25 -0.74 -0.20 0.00 -0.13 0.00 0.00 55.73 54.91 1vdm s ARG 135 Cb -0.15 -2.10 0.02 0.00 -1.56 0.00 0.00 34.95 31.17 1vdm s ARG 135 CO 0.13 0.07 0.65 -0.08 -0.81 0.00 0.00 175.30 175.26 1vdm s THR 136 N 0.61 0.00 -0.17 4.11 -1.32 -1.19 -5.00 115.64 112.68 1vdm s THR 136 Ca -0.14 -0.88 0.04 0.00 -1.21 0.00 0.00 61.69 59.50 1vdm s THR 136 Cb -0.17 -1.83 -0.04 0.00 -1.51 0.00 0.00 72.50 68.95 1vdm s THR 136 CO 0.04 -0.02 0.16 -0.62 -2.21 0.00 0.00 174.62 171.97 1vdm n GLU 137 N -0.42 5.62 -2.40 7.08 1.02 -1.26 -4.13 120.64 126.14 1vdm n GLU 137 Ca -0.06 -0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.82 1vdm n GLU 137 Cb 0.61 -0.69 0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1vdm n GLU 137 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1vdm s LYS 138 N -1.38 2.72 0.06 3.49 1.02 -1.26 -5.04 119.74 119.36 1vdm s LYS 138 Ca 0.01 -0.15 -0.30 0.00 0.02 0.00 0.00 55.97 55.55 1vdm s LYS 138 Cb 0.03 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 1vdm s LYS 138 CO 0.15 -0.81 1.04 -0.46 -0.92 0.00 0.00 175.35 174.35 1vdm s TRP 139 N -3.01 3.64 -0.23 3.18 -0.11 -1.26 -4.83 118.94 116.31 1vdm s TRP 139 Ca 0.55 1.62 -0.15 0.00 1.22 0.00 0.00 56.10 59.34 1vdm s TRP 139 Cb -0.11 -3.19 -0.04 0.00 -1.50 0.00 0.00 33.47 28.63 1vdm s TRP 139 CO 0.44 -0.32 0.38 0.42 -4.62 0.00 0.00 176.95 173.25 1vdm s ILE 140 N 0.61 5.20 -0.39 5.86 1.01 -1.26 -1.34 121.20 130.89 1vdm s ILE 140 Ca 0.52 0.63 -0.12 0.00 0.00 0.00 0.00 60.65 61.67 1vdm s ILE 140 Cb -0.25 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1vdm s ILE 140 CO 0.30 0.22 0.24 -0.69 0.00 0.00 0.00 174.94 175.00 1vdm s VAL 141 N 1.60 4.79 0.66 2.92 1.01 0.10 -4.96 120.40 126.52 1vdm s VAL 141 Ca 0.17 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1vdm s VAL 141 Cb -0.15 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1vdm s VAL 141 CO 0.08 -0.26 1.05 -0.36 0.00 0.00 0.00 175.10 175.61 1vdm s PHE 142 N 1.59 3.33 0.44 5.22 0.40 -1.26 -2.24 117.98 125.47 1vdm s PHE 142 Ca 0.03 1.37 0.20 0.00 -0.60 0.00 0.00 56.93 57.93 1vdm s PHE 142 Cb -0.19 -2.82 1.17 0.00 0.51 0.00 0.00 43.02 41.69 1vdm s PHE 142 CO 0.08 -0.98 1.86 -1.35 0.70 0.00 0.00 175.22 175.53 1vdm h PRO 143 N -0.47 0.31 -0.01 0.24 0.11 -1.85 -1.24 132.00 129.08 1vdm h PRO 143 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1vdm h PRO 143 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1vdm h PRO 143 CO 0.59 0.21 -0.05 -2.67 -0.21 0.00 0.00 178.00 175.86 1vdm n TRP 144 N -4.47 0.00 -3.52 0.65 2.14 -1.26 -4.94 117.44 106.05 1vdm n TRP 144 Ca 0.19 0.00 -0.26 0.00 2.07 0.00 0.00 57.50 59.50 1vdm n TRP 144 Cb 0.76 -0.04 -0.02 0.00 -0.81 0.00 0.00 31.31 31.20 1vdm n TRP 144 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1vdm s GLU 145 N -2.12 3.53 0.45 -2.67 2.02 -0.47 -5.11 118.70 114.32 1vdm s GLU 145 Ca 0.36 -0.29 0.02 0.00 0.02 0.00 0.00 54.97 55.08 1vdm s GLU 145 Cb 0.21 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.71 1vdm s GLU 145 CO 0.38 0.27 0.66 -1.21 0.02 0.00 0.00 175.26 175.37 1vdm s GLU 146 N -3.78 2.93 0.01 1.61 8.01 -1.26 -4.90 118.70 121.32 1vdm s GLU 146 Ca 0.40 -0.70 0.01 0.00 0.01 0.00 0.00 54.97 54.70 1vdm s GLU 146 Cb -0.10 -2.60 -0.04 0.00 -4.31 0.00 0.00 34.13 27.08 1vdm s GLU 146 CO 0.32 -0.32 0.03 -0.06 0.01 0.00 0.00 175.26 175.23 1vdm s PHE 147 N -2.53 3.13 0.63 1.61 0.08 -1.26 -5.05 117.98 114.59 1vdm s PHE 147 Ca 0.50 0.11 -0.12 0.00 0.12 0.00 0.00 56.93 57.54 1vdm s PHE 147 Cb -0.10 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1vdm s PHE 147 CO 0.37 0.49 1.04 -2.14 -0.10 0.00 0.00 175.22 174.87 1vdm s PRO 148 N -1.70 3.38 0.03 0.24 0.02 -1.26 -5.07 135.00 130.64 1vdm s PRO 148 Ca 0.21 0.89 0.07 0.00 0.02 0.00 0.00 61.00 62.20 1vdm s PRO 148 Cb -0.12 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 1vdm s PRO 148 CO 0.12 -0.75 -0.18 0.08 -0.33 0.00 0.00 177.00 175.94 1vdm s VAL 149 N -2.99 2.78 -0.27 3.83 1.01 -1.26 -5.11 120.40 118.39 1vdm s VAL 149 Ca 0.57 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1vdm s VAL 149 Cb -0.12 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1vdm s VAL 149 CO 0.50 0.37 0.10 -0.63 0.00 0.00 0.00 175.10 175.44 1vdm s ILE 150 N -0.89 4.49 0.28 2.22 1.09 -1.26 -5.09 121.20 122.05 1vdm s ILE 150 Ca 0.14 -0.18 0.02 0.00 -1.10 0.00 0.00 60.65 59.53 1vdm s ILE 150 Cb -0.10 -3.15 0.02 0.00 -1.06 0.00 0.00 42.46 38.17 1vdm s ILE 150 CO 0.04 0.27 0.13 -0.62 -0.10 0.00 0.00 174.94 174.67 1vdm n GLU 151 N 4.95 1.18 0.00 2.79 1.02 -1.26 -5.37 120.64 123.95 1vdm n GLU 151 Ca -0.15 -1.90 0.10 0.00 -0.02 0.00 0.00 57.16 55.19 1vdm n GLU 151 Cb 0.51 0.34 0.09 0.00 -0.02 0.00 0.00 31.44 32.35 1vdm n GLU 151 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94