#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdm h ASP 2 N 0.00 0.77 -2.01 7.83 5.19 -2.05 -3.43 116.42 122.73 1vdm h ASP 2 Ca 0.00 0.08 -0.61 0.00 -0.62 0.00 0.00 57.03 55.88 1vdm h ASP 2 Cb 0.00 -0.06 -0.13 0.00 0.18 0.00 0.00 39.33 39.31 1vdm h ASP 2 CO 0.00 0.33 -0.66 -0.54 -3.12 0.00 0.00 179.24 175.26 1vdm s LYS 3 N -5.92 1.82 -0.17 3.56 1.02 -1.26 -4.03 119.74 114.76 1vdm s LYS 3 Ca -0.12 -1.96 -0.02 0.00 0.02 0.00 0.00 55.97 53.89 1vdm s LYS 3 Cb 0.23 -1.61 -0.01 0.00 -0.52 0.00 0.00 37.83 35.92 1vdm s LYS 3 CO 0.80 0.07 -0.10 0.08 -0.92 0.00 0.00 175.35 175.28 1vdm s VAL 4 N -2.69 3.11 -0.66 3.17 1.01 -0.33 -4.98 120.40 119.02 1vdm s VAL 4 Ca 0.33 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1vdm s VAL 4 Cb 0.05 -2.35 0.17 0.00 0.00 0.00 0.00 36.38 34.24 1vdm s VAL 4 CO 0.16 0.48 0.48 -0.31 0.00 0.00 0.00 175.10 175.92 1vdm s TYR 5 N 0.90 3.46 0.25 5.22 1.51 -1.26 -0.33 117.35 127.10 1vdm s TYR 5 Ca -0.02 -2.86 -0.30 0.00 -1.01 0.00 0.00 57.07 52.88 1vdm s TYR 5 Cb -0.15 -3.13 -0.10 0.00 -0.11 0.00 0.00 41.96 38.47 1vdm s TYR 5 CO 0.00 -0.79 1.38 -0.51 -1.11 0.00 0.00 175.55 174.52 1vdm s LEU 6 N -0.40 4.40 0.47 -1.29 1.43 -1.05 -5.01 118.68 117.23 1vdm s LEU 6 Ca 0.19 2.60 -0.06 0.00 -1.03 0.00 0.00 54.13 55.83 1vdm s LEU 6 Cb -0.18 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1vdm s LEU 6 CO -0.05 -0.63 0.79 0.42 0.23 0.00 0.00 176.35 177.11 1vdm s THR 7 N -0.17 4.88 0.26 5.49 -4.23 -1.26 -3.63 115.64 116.97 1vdm s THR 7 Ca 0.57 0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 61.36 1vdm s THR 7 Cb -0.40 -3.84 0.24 0.00 1.34 0.00 0.00 72.50 69.83 1vdm s THR 7 CO 0.44 -0.80 1.73 -0.50 -0.54 0.00 0.00 174.62 174.95 1vdm h TRP 8 N 0.41 0.58 -0.64 3.99 4.06 -1.96 -1.22 115.95 121.17 1vdm h TRP 8 Ca -0.47 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.52 1vdm h TRP 8 Cb 1.20 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 29.20 1vdm h TRP 8 CO 0.59 0.06 0.41 2.35 -3.56 0.00 0.00 178.44 178.29 1vdm h TRP 9 N 0.47 0.83 -0.47 0.49 7.01 -1.98 0.66 115.95 122.95 1vdm h TRP 9 Ca 0.45 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.43 1vdm h TRP 9 Cb 0.71 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 1vdm h TRP 9 CO -0.15 0.54 0.17 1.96 -2.79 0.00 0.00 178.44 178.18 1vdm h GLN 10 N 0.87 0.71 -0.18 2.65 4.20 -1.65 -0.76 115.11 120.96 1vdm h GLN 10 Ca 0.23 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1vdm h GLN 10 Cb -0.06 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1vdm h GLN 10 CO -0.05 0.66 0.12 0.28 -0.67 0.00 0.00 178.83 179.17 1vdm h VAL 11 N 0.62 1.06 -0.63 -0.54 2.07 -1.01 -1.81 116.25 116.01 1vdm h VAL 11 Ca 0.15 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1vdm h VAL 11 Cb 0.22 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1vdm h VAL 11 CO -0.01 0.06 0.42 0.44 0.02 0.00 0.00 177.57 178.50 1vdm h ASP 12 N 0.24 0.71 0.63 0.57 3.32 -0.61 0.10 116.42 121.37 1vdm h ASP 12 Ca 0.07 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 1vdm h ASP 12 Cb -0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1vdm h ASP 12 CO -0.01 0.51 -0.71 0.03 -1.72 0.00 0.00 179.24 177.34 1vdm h ARG 13 N 0.83 0.06 -0.17 3.56 2.47 -0.88 -1.33 114.38 118.93 1vdm h ARG 13 Ca 0.24 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.85 1vdm h ARG 13 Cb -0.07 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.26 1vdm h ARG 13 CO -0.05 0.74 -0.09 0.00 0.56 0.00 0.00 179.97 181.12 1vdm h ALA 14 N 1.24 0.24 -0.52 0.04 0.00 -0.40 -1.31 119.26 118.55 1vdm h ALA 14 Ca -0.01 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1vdm h ALA 14 Cb 1.25 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1vdm h ALA 14 CO 0.10 0.06 0.28 0.82 0.00 0.00 0.00 179.25 180.51 1vdm h ILE 15 N 0.03 0.98 -0.59 0.00 2.04 -0.72 0.35 117.51 119.60 1vdm h ILE 15 Ca 0.04 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1vdm h ILE 15 Cb 0.58 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1vdm h ILE 15 CO 0.03 0.10 0.21 -0.26 0.00 0.00 0.00 178.15 178.22 1vdm h PHE 16 N 0.55 0.88 -0.33 1.37 0.04 -1.15 -0.44 116.94 117.86 1vdm h PHE 16 Ca 0.23 -0.06 -0.09 0.00 2.80 0.00 0.00 57.97 60.84 1vdm h PHE 16 Cb 0.11 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1vdm h PHE 16 CO -0.09 0.70 -0.15 0.00 -0.60 0.00 0.00 178.31 178.16 1vdm h ALA 17 N 1.38 0.47 -0.33 2.45 0.00 -0.02 -2.28 119.26 120.93 1vdm h ALA 17 Ca 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1vdm h ALA 17 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1vdm h ALA 17 CO -0.01 0.37 0.18 -0.07 0.00 0.00 0.00 179.25 179.72 1vdm h LEU 18 N 0.46 0.41 -0.80 0.00 3.38 -0.08 -2.82 115.31 115.88 1vdm h LEU 18 Ca 0.08 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1vdm h LEU 18 Cb 0.68 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 1vdm h LEU 18 CO 0.05 0.39 0.45 0.00 0.09 0.00 0.00 178.44 179.42 1vdm h ALA 19 N 1.04 1.12 -0.95 1.53 0.00 -1.00 0.12 119.26 121.12 1vdm h ALA 19 Ca 0.12 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1vdm h ALA 19 Cb 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1vdm h ALA 19 CO -0.02 0.08 0.62 1.49 0.00 0.00 0.00 179.25 181.43 1vdm h GLU 20 N 0.76 1.15 0.06 0.00 4.57 -1.16 -1.97 114.58 118.00 1vdm h GLU 20 Ca 0.38 -0.07 -0.28 0.00 -1.18 0.00 0.00 59.36 58.21 1vdm h GLU 20 Cb 0.34 -0.26 0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1vdm h GLU 20 CO -0.24 0.76 -1.15 0.87 -1.18 0.00 0.00 179.01 178.07 1vdm h LYS 21 N 1.18 0.64 0.00 1.92 1.79 -1.10 -3.23 116.57 117.77 1vdm h LYS 21 Ca 0.39 -0.78 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1vdm h LYS 21 Cb 0.04 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1vdm h LYS 21 CO -0.12 1.34 0.00 1.28 -1.08 0.00 0.00 179.45 180.87 1vdm n LEU 22 N -3.81 0.64 -0.29 2.94 4.77 0.31 -2.69 117.00 118.87 1vdm n LEU 22 Ca -0.12 0.72 -0.05 0.00 -0.03 0.00 0.00 56.01 56.52 1vdm n LEU 22 Cb 0.94 -0.70 0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1vdm n LEU 22 CO 0.57 -0.76 1.06 0.03 -1.33 0.00 0.00 177.39 176.96 1vdm h ARG 23 N 0.00 1.19 0.00 3.23 2.47 -1.38 -2.20 114.38 117.69 1vdm h ARG 23 Ca 0.00 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.50 1vdm h ARG 23 Cb 0.20 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1vdm h ARG 23 CO 0.00 0.95 -0.08 1.49 0.56 0.00 0.00 179.97 182.90 1vdm h GLU 24 N 1.16 0.00 0.00 0.04 4.22 -1.72 -2.06 114.58 116.22 1vdm h GLU 24 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.71 1vdm h GLU 24 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1vdm h GLU 24 CO -0.02 0.08 -0.47 0.98 -2.18 0.00 0.00 179.01 177.39 1vdm n TYR 25 N -3.55 0.26 -3.70 0.92 9.36 -0.84 -5.01 117.16 114.59 1vdm n TYR 25 Ca -0.02 0.08 -0.29 0.00 3.32 0.00 0.00 57.90 60.98 1vdm n TYR 25 Cb 0.20 -0.47 0.01 0.00 -0.63 0.00 0.00 39.34 38.45 1vdm n TYR 25 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1vdm n LYS 26 N -1.78 -1.65 -2.10 2.98 5.02 -0.78 -4.86 118.16 115.00 1vdm n LYS 26 Ca 0.05 0.94 -0.39 0.00 -2.02 0.00 0.00 58.31 56.89 1vdm n LYS 26 Cb 0.38 -2.12 -0.00 0.00 -0.02 0.00 0.00 35.03 33.27 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 -4.18 3.90 -0.19 1.97 0.02 -1.26 -4.89 135.00 130.38 1vdm s PRO 27 Ca 0.12 2.07 0.09 0.00 0.02 0.00 0.00 61.00 63.29 1vdm s PRO 27 Cb -0.01 -2.67 -0.22 0.00 0.02 0.00 0.00 34.50 31.61 1vdm s PRO 27 CO 0.88 -0.52 0.10 -0.25 -0.33 0.00 0.00 177.00 176.88 1vdm n ASP 28 N -0.02 1.07 -3.92 2.53 10.43 0.07 -4.98 116.55 121.72 1vdm n ASP 28 Ca 0.05 0.04 -0.10 0.00 2.57 0.00 0.00 54.79 57.35 1vdm n ASP 28 Cb 0.45 0.12 -0.11 0.00 1.84 0.00 0.00 41.12 43.42 1vdm n ASP 28 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1vdm s VAL 29 N -2.53 0.08 -0.13 2.53 1.01 -1.02 -4.26 120.40 116.09 1vdm s VAL 29 Ca -0.19 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1vdm s VAL 29 Cb 0.07 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1vdm s VAL 29 CO 0.74 -0.37 -0.15 -0.63 0.00 0.00 0.00 175.10 174.69 1vdm s ILE 30 N -1.17 1.55 -0.28 2.22 1.01 -0.98 -1.20 121.20 122.34 1vdm s ILE 30 Ca -0.13 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 1vdm s ILE 30 Cb -0.08 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.97 1vdm s ILE 30 CO 0.00 0.45 0.06 -0.63 0.00 0.00 0.00 174.94 174.82 1vdm s ILE 31 N 1.19 3.92 -0.33 2.92 1.01 -0.29 -0.76 121.20 128.86 1vdm s ILE 31 Ca -0.02 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 1vdm s ILE 31 Cb -0.14 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1vdm s ILE 31 CO -0.05 0.16 0.54 -0.83 0.00 0.00 0.00 174.94 174.76 1vdm s GLY 32 N 1.51 1.81 -0.32 6.18 0.00 -0.27 -0.70 107.32 115.52 1vdm s GLY 32 Ca 0.03 -0.87 -0.29 0.00 0.00 0.00 0.00 44.72 43.59 1vdm s GLY 32 CO 0.02 1.31 1.52 0.14 0.00 0.00 0.00 173.10 176.09 1vdm s VAL 33 N 2.45 3.82 0.36 1.40 1.01 0.08 -2.64 120.40 126.88 1vdm s VAL 33 Ca 0.21 0.88 -0.20 0.00 0.00 0.00 0.00 61.98 62.86 1vdm s VAL 33 Cb -0.15 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.18 1vdm s VAL 33 CO 0.13 -0.51 0.87 0.00 0.00 0.00 0.00 175.10 175.59 1vdm s ALA 34 N 5.41 3.19 -0.10 5.51 0.00 0.12 0.13 121.76 136.02 1vdm s ALA 34 Ca 0.66 0.30 0.16 0.00 0.00 0.00 0.00 51.96 53.08 1vdm s ALA 34 Cb -0.19 -3.02 -0.18 0.00 0.00 0.00 0.00 23.12 19.74 1vdm s ALA 34 CO 0.30 0.21 0.72 0.54 0.00 0.00 0.00 175.76 177.54 1vdm n ARG 35 N -0.19 0.63 -0.11 0.00 1.74 -1.26 -4.60 116.66 112.88 1vdm n ARG 35 Ca 0.04 0.22 0.20 0.00 -0.77 0.00 0.00 57.85 57.55 1vdm n ARG 35 Cb 0.53 -1.78 0.63 0.00 -1.02 0.00 0.00 32.46 30.81 1vdm n ARG 35 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1vdm h GLY 36 N 3.67 0.29 1.39 -0.13 0.00 -1.96 -0.28 103.07 106.04 1vdm h GLY 36 Ca -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1vdm h GLY 36 CO 0.05 0.02 -0.42 0.61 0.00 0.00 0.00 176.54 176.80 1vdm n GLY 37 N -1.61 -1.46 0.41 4.60 0.00 0.35 -3.97 105.19 103.51 1vdm n GLY 37 Ca 0.14 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1vdm n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vdm h LEU 38 N 0.00 -0.94 -0.56 0.99 3.38 -1.10 0.27 115.31 117.36 1vdm h LEU 38 Ca 0.00 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1vdm h LEU 38 Cb 0.69 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.60 1vdm h LEU 38 CO 0.00 -0.61 -0.03 0.40 0.09 0.00 0.00 178.44 178.29 1vdm h ILE 39 N -0.99 0.52 -0.83 1.22 2.04 -1.77 0.15 117.51 117.85 1vdm h ILE 39 Ca -0.09 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1vdm h ILE 39 Cb 0.78 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1vdm h ILE 39 CO 0.12 0.02 0.49 -0.65 0.00 0.00 0.00 178.15 178.12 1vdm h PRO 40 N 0.09 1.15 0.04 2.37 0.11 -1.77 -2.87 132.00 131.12 1vdm h PRO 40 Ca 0.28 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1vdm h PRO 40 Cb 0.44 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1vdm h PRO 40 CO -0.50 0.82 -0.06 0.00 -0.21 0.00 0.00 178.00 178.06 1vdm h ALA 41 N 1.26 -0.09 -0.47 -0.75 0.00 0.12 -0.82 119.26 118.50 1vdm h ALA 41 Ca 0.30 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.29 1vdm h ALA 41 Cb -0.01 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.76 1vdm h ALA 41 CO -0.05 -0.56 -0.26 0.28 0.00 0.00 0.00 179.25 178.65 1vdm h VAL 42 N -0.12 0.30 -0.37 0.00 2.07 -0.61 0.53 116.25 118.04 1vdm h VAL 42 Ca 0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1vdm h VAL 42 Cb 0.12 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1vdm h VAL 42 CO -0.03 0.00 0.08 0.03 0.02 0.00 0.00 177.57 177.67 1vdm h ARG 43 N -0.16 0.60 -0.15 1.57 3.08 -1.36 -2.45 114.38 115.51 1vdm h ARG 43 Ca 0.21 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1vdm h ARG 43 Cb 0.50 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1vdm h ARG 43 CO -0.57 0.65 0.04 -0.07 -1.07 0.00 0.00 179.97 178.95 1vdm h LEU 44 N 0.45 0.19 0.42 3.04 3.38 -0.20 0.34 115.31 122.92 1vdm h LEU 44 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1vdm h LEU 44 Cb 0.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1vdm h LEU 44 CO 0.00 0.20 -0.20 -1.28 0.09 0.00 0.00 178.44 177.25 1vdm h SER 45 N 0.21 -0.48 -0.47 -0.43 0.87 0.45 -1.80 113.55 111.91 1vdm h SER 45 Ca 0.05 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 1vdm h SER 45 Cb 0.08 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1vdm h SER 45 CO -0.00 -0.22 -0.03 -0.74 -0.53 0.00 0.00 176.83 175.31 1vdm h HIS 46 N -0.72 0.93 -0.19 2.24 -0.00 -1.13 -1.47 115.15 114.81 1vdm h HIS 46 Ca -0.06 -0.17 -0.03 0.00 -0.00 0.00 0.00 60.37 60.12 1vdm h HIS 46 Cb 0.51 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1vdm h HIS 46 CO -0.01 0.90 0.01 0.82 -0.00 0.00 0.00 177.93 179.64 1vdm h ILE 47 N 0.70 1.12 -0.01 6.26 2.04 -0.94 -2.71 117.51 123.96 1vdm h ILE 47 Ca 0.13 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1vdm h ILE 47 Cb 0.54 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1vdm h ILE 47 CO 0.03 0.16 -0.02 0.18 0.00 0.00 0.00 178.15 178.50 1vdm n LEU 48 N -4.38 1.43 0.00 1.44 4.77 -0.68 -4.88 117.00 114.70 1vdm n LEU 48 Ca -0.00 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1vdm n LEU 48 Cb 0.17 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1vdm n LEU 48 CO 0.36 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1vdm n GLY 49 N 1.18 1.46 4.02 -0.72 0.00 -1.03 -4.74 105.19 105.37 1vdm n GLY 49 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -2.49 -4.79 1.61 9.92 -0.57 -4.91 116.55 115.32 1vdm n ASP 50 Ca 0.00 -0.94 -0.36 0.00 -0.53 0.00 0.00 54.79 52.96 1vdm n ASP 50 Cb 0.00 -3.24 -0.06 0.00 -0.64 0.00 0.00 41.12 37.18 1vdm n ASP 50 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1vdm s ILE 51 N -3.55 4.25 0.23 0.53 -4.36 -1.13 -4.97 121.20 112.20 1vdm s ILE 51 Ca 0.42 1.76 -0.27 0.00 -0.26 0.00 0.00 60.65 62.30 1vdm s ILE 51 Cb -0.22 -3.95 -0.17 0.00 1.25 0.00 0.00 42.46 39.37 1vdm s ILE 51 CO 0.88 0.08 0.48 -0.81 0.24 0.00 0.00 174.94 175.81 1vdm n PRO 52 N 0.40 0.05 -4.03 0.37 -0.04 -1.26 -4.80 135.00 125.70 1vdm n PRO 52 Ca 0.02 0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.19 1vdm n PRO 52 Cb 0.51 -1.04 -0.16 0.00 -0.04 0.00 0.00 33.50 32.77 1vdm n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1vdm s LEU 53 N 3.07 2.54 0.09 1.53 2.96 -1.26 -2.32 118.68 125.30 1vdm s LEU 53 Ca 0.63 -0.97 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1vdm s LEU 53 Cb -0.88 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1vdm s LEU 53 CO 0.57 -0.13 0.19 -0.54 -1.32 0.00 0.00 176.35 175.11 1vdm s LYS 54 N 1.31 3.24 -0.04 1.98 -0.14 0.06 -5.01 119.74 121.15 1vdm s LYS 54 Ca -0.02 -0.58 0.05 0.00 -1.36 0.00 0.00 55.97 54.06 1vdm s LYS 54 Cb -0.17 -2.91 -0.01 0.00 -1.68 0.00 0.00 37.83 33.07 1vdm s LYS 54 CO -0.08 0.57 -0.18 0.08 -0.76 0.00 0.00 175.35 174.97 1vdm s VAL 55 N -1.55 1.52 0.04 3.17 1.01 -1.26 -1.11 120.40 122.21 1vdm s VAL 55 Ca 0.33 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1vdm s VAL 55 Cb -0.12 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1vdm s VAL 55 CO 0.26 0.43 -0.14 -0.51 0.00 0.00 0.00 175.10 175.15 1vdm s ILE 56 N -0.07 1.08 -0.17 2.22 2.07 -1.08 -4.25 121.20 120.99 1vdm s ILE 56 Ca -0.02 -0.98 -0.05 0.00 -1.41 0.00 0.00 60.65 58.19 1vdm s ILE 56 Cb -0.11 -0.98 0.06 0.00 0.13 0.00 0.00 42.46 41.56 1vdm s ILE 56 CO 0.02 -0.01 0.10 -0.62 -1.91 0.00 0.00 174.94 172.52 1vdm s ASP 57 N -1.13 2.27 -0.32 4.50 3.68 -0.78 -0.70 116.67 124.20 1vdm s ASP 57 Ca 0.01 -0.58 -0.06 0.00 2.13 0.00 0.00 52.55 54.05 1vdm s ASP 57 Cb -0.08 -0.20 0.03 0.00 -1.45 0.00 0.00 42.92 41.22 1vdm s ASP 57 CO 0.01 -0.35 0.09 -0.69 0.13 0.00 0.00 175.17 174.36 1vdm s VAL 58 N 2.15 3.78 -0.18 1.11 1.01 -1.26 -0.95 120.40 126.06 1vdm s VAL 58 Ca 0.02 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 1vdm s VAL 58 Cb -0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1vdm s VAL 58 CO -0.09 -0.07 0.09 -0.54 0.00 0.00 0.00 175.10 174.49 1vdm s LYS 59 N 1.43 3.96 -0.31 2.72 -0.14 -1.02 -4.91 119.74 121.46 1vdm s LYS 59 Ca -0.00 -0.29 -0.12 0.00 -1.36 0.00 0.00 55.97 54.20 1vdm s LYS 59 Cb -0.19 -3.26 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 1vdm s LYS 59 CO 0.02 0.35 0.24 -0.06 -0.76 0.00 0.00 175.35 175.14 1vdm s PHE 60 N 0.18 3.22 -0.01 3.18 0.40 -1.26 -0.29 117.98 123.41 1vdm s PHE 60 Ca 0.06 -0.00 0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1vdm s PHE 60 Cb -0.12 -2.46 -0.03 0.00 0.51 0.00 0.00 43.02 40.92 1vdm s PHE 60 CO -0.00 -0.27 -0.07 0.71 0.70 0.00 0.00 175.22 176.29 1vdm s TYR 61 N 1.79 2.88 0.17 0.36 4.12 -1.10 -4.99 117.35 120.58 1vdm s TYR 61 Ca 0.08 -0.04 0.02 0.00 0.02 0.00 0.00 57.07 57.14 1vdm s TYR 61 Cb -0.17 -1.62 -0.04 0.00 -1.52 0.00 0.00 41.96 38.61 1vdm s TYR 61 CO 0.11 0.36 0.32 0.21 0.02 0.00 0.00 175.55 176.56 1vdm s LYS 62 N -1.28 3.46 0.00 -0.62 2.20 -1.26 -2.51 119.74 119.73 1vdm s LYS 62 Ca 0.16 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1vdm s LYS 62 Cb -0.11 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1vdm s LYS 62 CO 0.06 0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.94 1vdm n GLY 68 N -0.61 0.00 3.13 5.54 0.00 -1.26 -4.83 105.19 107.16 1vdm n GLY 68 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1vdm n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vdm s GLU 69 N 0.00 0.79 -0.21 1.61 2.02 -1.26 -5.17 118.70 116.48 1vdm s GLU 69 Ca 0.00 -1.34 -0.19 0.00 0.02 0.00 0.00 54.97 53.46 1vdm s GLU 69 Cb 0.00 0.14 0.05 0.00 0.10 0.00 0.00 34.13 34.43 1vdm s GLU 69 CO 0.00 -0.16 0.55 0.15 0.02 0.00 0.00 175.26 175.82 1vdm s LYS 70 N -3.96 0.64 0.63 1.61 1.02 -1.04 -5.04 119.74 113.59 1vdm s LYS 70 Ca 0.15 0.77 -0.15 0.00 0.02 0.00 0.00 55.97 56.76 1vdm s LYS 70 Cb 0.07 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.67 1vdm s LYS 70 CO -0.04 -0.08 1.08 -1.25 -0.92 0.00 0.00 175.35 174.14 1vdm s PRO 71 N 0.33 3.07 -0.31 -1.68 0.04 -1.26 -2.72 135.00 132.47 1vdm s PRO 71 Ca -0.00 1.25 -0.02 0.00 0.04 0.00 0.00 61.00 62.26 1vdm s PRO 71 Cb -0.04 -2.00 0.12 0.00 0.04 0.00 0.00 34.50 32.62 1vdm s PRO 71 CO 0.00 -1.02 0.18 0.08 0.04 0.00 0.00 177.00 176.28 1vdm s VAL 72 N -2.48 -0.09 -0.93 -0.36 1.01 0.61 -4.93 120.40 113.23 1vdm s VAL 72 Ca 0.64 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 1vdm s VAL 72 Cb -0.17 -0.99 -0.10 0.00 0.00 0.00 0.00 36.38 35.11 1vdm s VAL 72 CO 0.41 -0.74 2.10 -0.63 0.00 0.00 0.00 175.10 176.24 1vdm s ILE 73 N 1.90 3.29 0.52 2.22 1.01 -1.26 -2.45 121.20 126.43 1vdm s ILE 73 Ca 0.11 -0.31 0.18 0.00 0.00 0.00 0.00 60.65 60.63 1vdm s ILE 73 Cb -0.17 -3.80 0.27 0.00 0.01 0.00 0.00 42.46 38.77 1vdm s ILE 73 CO -0.27 -0.58 2.14 0.74 0.00 0.00 0.00 174.94 176.97 1vdm h THR 74 N 7.16 0.94 -2.62 2.92 2.02 -1.41 -3.37 112.91 118.56 1vdm h THR 74 Ca 0.08 -0.09 -0.53 0.00 0.77 0.00 0.00 66.41 66.64 1vdm h THR 74 Cb 0.99 1.05 -0.39 0.00 -1.74 0.00 0.00 68.15 68.07 1vdm h THR 74 CO 1.13 0.03 -0.80 -0.63 0.37 0.00 0.00 175.52 175.62 1vdm s ILE 75 N -4.94 -0.02 0.70 3.11 1.01 -1.12 -4.96 121.20 114.98 1vdm s ILE 75 Ca -0.05 -1.16 -0.11 0.00 0.00 0.00 0.00 60.65 59.33 1vdm s ILE 75 Cb 0.17 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.63 1vdm s ILE 75 CO 0.66 -0.82 1.07 -2.16 0.00 0.00 0.00 174.94 173.68 1vdm s PRO 76 N 1.65 2.84 0.10 2.79 0.04 -1.26 -1.86 135.00 139.30 1vdm s PRO 76 Ca 0.13 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1vdm s PRO 76 Cb -0.19 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 1vdm s PRO 76 CO -0.19 -1.18 1.04 0.42 0.04 0.00 0.00 177.00 177.13 1vdm s ILE 77 N -2.92 4.31 0.09 0.56 1.01 -1.26 -4.82 121.20 118.16 1vdm s ILE 77 Ca 0.60 1.85 -0.09 0.00 0.00 0.00 0.00 60.65 63.00 1vdm s ILE 77 Cb -0.15 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 1vdm s ILE 77 CO 0.53 0.25 0.39 -1.00 0.00 0.00 0.00 174.94 175.10 1vdm s HIS 78 N 0.26 3.56 0.00 3.97 3.76 -1.26 -4.97 115.29 120.61 1vdm s HIS 78 Ca 0.50 0.73 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 1vdm s HIS 78 Cb -0.26 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.31 1vdm s HIS 78 CO 0.31 0.51 0.00 0.41 -0.85 0.00 0.00 174.74 175.12 1vdm n GLY 79 N 0.76 -2.29 3.42 -2.22 0.00 -1.26 -4.96 105.19 98.64 1vdm n GLY 79 Ca -0.07 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.85 3.42 -0.12 1.61 -4.77 -1.26 -4.96 116.67 107.74 1vdm s ASP 80 Ca 0.00 -0.86 0.15 0.00 -3.30 0.00 0.00 52.55 48.53 1vdm s ASP 80 Cb 0.00 -0.25 0.48 0.00 -1.09 0.00 0.00 42.92 42.05 1vdm s ASP 80 CO 0.00 0.12 1.39 0.18 0.70 0.00 0.00 175.17 177.56 1vdm n LEU 81 N 0.29 3.67 -4.48 2.11 4.77 -1.04 -5.03 117.00 117.30 1vdm n LEU 81 Ca -0.13 -2.66 -0.50 0.00 -0.03 0.00 0.00 56.01 52.70 1vdm n LEU 81 Cb 0.56 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1vdm n LEU 81 CO 0.29 0.70 0.33 0.29 -1.33 0.00 0.00 177.39 177.66 1vdm n LYS 82 N -0.07 0.41 -0.88 3.23 4.76 -0.48 -0.55 118.16 124.60 1vdm n LYS 82 Ca 0.19 0.15 -0.02 0.00 -2.87 0.00 0.00 58.31 55.75 1vdm n LYS 82 Cb 0.75 -1.39 -0.01 0.00 -1.84 0.00 0.00 35.03 32.54 1vdm n LYS 82 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1vdm n ASP 83 N 1.80 -4.60 -4.62 4.39 4.64 -1.26 -4.82 116.55 112.07 1vdm n ASP 83 Ca 0.17 0.06 -0.34 0.00 -1.38 0.00 0.00 54.79 53.29 1vdm n ASP 83 Cb 0.23 -2.98 -0.10 0.00 -1.04 0.00 0.00 41.12 37.22 1vdm n ASP 83 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1vdm s LYS 84 N -1.82 3.36 -0.41 -0.67 1.02 0.29 -4.75 119.74 116.77 1vdm s LYS 84 Ca 0.00 -0.43 -0.29 0.00 0.02 0.00 0.00 55.97 55.27 1vdm s LYS 84 Cb 0.00 -2.91 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 1vdm s LYS 84 CO 0.00 0.49 1.12 1.03 -0.92 0.00 0.00 175.35 177.08 1vdm s ARG 85 N -0.30 3.86 0.10 1.68 0.52 -1.26 -1.77 118.95 121.78 1vdm s ARG 85 Ca 0.06 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 1vdm s ARG 85 Cb -0.12 -3.84 -0.04 0.00 0.52 0.00 0.00 34.95 31.46 1vdm s ARG 85 CO 0.02 -1.20 0.26 0.08 0.02 0.00 0.00 175.30 174.48 1vdm s VAL 86 N 4.17 5.34 -0.16 3.52 1.01 0.21 -0.75 120.40 133.74 1vdm s VAL 86 Ca 0.47 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1vdm s VAL 86 Cb -0.09 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.67 1vdm s VAL 86 CO 0.25 0.04 -0.01 -0.69 0.00 0.00 0.00 175.10 174.70 1vdm s VAL 87 N -1.61 0.74 -0.09 2.92 1.01 -0.34 -2.49 120.40 120.53 1vdm s VAL 87 Ca 0.36 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1vdm s VAL 87 Cb -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1vdm s VAL 87 CO 0.28 0.03 0.51 -0.63 0.00 0.00 0.00 175.10 175.29 1vdm s ILE 88 N 1.79 5.13 -0.12 2.22 1.01 -0.56 -1.13 121.20 129.54 1vdm s ILE 88 Ca 0.01 1.03 0.03 0.00 0.00 0.00 0.00 60.65 61.72 1vdm s ILE 88 Cb -0.15 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1vdm s ILE 88 CO -0.07 0.35 -0.22 -0.69 0.00 0.00 0.00 174.94 174.30 1vdm s VAL 89 N 0.43 2.16 0.04 2.92 1.01 0.12 -0.33 120.40 126.76 1vdm s VAL 89 Ca 0.27 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1vdm s VAL 89 Cb -0.16 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1vdm s VAL 89 CO 0.12 0.55 -0.03 -0.62 0.00 0.00 0.00 175.10 175.12 1vdm s ASP 90 N 0.55 0.43 -0.02 3.32 2.15 -0.86 -0.74 116.67 121.50 1vdm s ASP 90 Ca -0.13 -0.87 -0.25 0.00 0.43 0.00 0.00 52.55 51.73 1vdm s ASP 90 Cb -0.17 0.17 -0.19 0.00 -0.30 0.00 0.00 42.92 42.44 1vdm s ASP 90 CO 0.04 -0.52 1.19 -2.24 -0.17 0.00 0.00 175.17 173.47 1vdm h ASP 91 N 3.53 -0.11 -4.41 -0.34 -0.00 -1.87 -3.14 116.42 110.08 1vdm h ASP 91 Ca -0.33 -0.39 -0.18 0.00 -0.00 0.00 0.00 57.03 56.12 1vdm h ASP 91 Cb 1.16 0.03 -0.24 0.00 -0.00 0.00 0.00 39.33 40.28 1vdm h ASP 91 CO 0.60 0.36 -0.62 0.54 -0.00 0.00 0.00 179.24 180.12 1vdm s VAL 92 N -4.19 0.05 -0.78 4.15 0.11 -1.26 -1.02 120.40 117.46 1vdm s VAL 92 Ca -0.15 -0.44 -0.08 0.00 -2.93 0.00 0.00 61.98 58.38 1vdm s VAL 92 Cb 0.02 -0.23 0.20 0.00 -1.53 0.00 0.00 36.38 34.84 1vdm s VAL 92 CO 0.61 -0.24 0.67 -0.55 -3.33 0.00 0.00 175.10 172.25 1vdm s SER 93 N -0.75 6.10 0.00 3.54 0.15 -0.93 -4.94 113.70 116.86 1vdm s SER 93 Ca -0.08 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 53.61 1vdm s SER 93 Cb -0.05 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1vdm s SER 93 CO 0.00 -0.42 0.00 -0.67 1.20 0.00 0.00 173.24 173.35 1vdm n ASP 94 N 3.48 0.00 0.11 5.45 4.64 -1.26 -2.11 116.55 126.86 1vdm n ASP 94 Ca 0.13 0.00 -0.23 0.00 -1.38 0.00 0.00 54.79 53.31 1vdm n ASP 94 Cb 0.42 0.00 -0.15 0.00 -1.04 0.00 0.00 41.12 40.35 1vdm n ASP 94 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1vdm h THR 95 N 0.00 1.33 0.00 5.18 1.35 -1.92 -3.21 112.91 115.63 1vdm h THR 95 Ca 0.00 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 1vdm h THR 95 Cb 0.00 2.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1vdm h THR 95 CO 0.00 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 1vdm n GLY 96 N 1.60 0.43 0.32 5.82 0.00 -1.26 -1.68 105.19 110.42 1vdm n GLY 96 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1vdm n GLY 96 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vdm h LYS 97 N 3.82 0.75 0.01 1.61 2.10 -1.99 -1.68 116.57 121.19 1vdm h LYS 97 Ca 0.00 -0.08 -0.25 0.00 -2.00 0.00 0.00 60.65 58.32 1vdm h LYS 97 Cb 0.00 -0.15 0.01 0.00 -0.90 0.00 0.00 32.23 31.19 1vdm h LYS 97 CO 0.00 0.56 -1.03 1.15 -2.00 0.00 0.00 179.45 178.13 1vdm h THR 98 N 0.76 1.33 -0.26 0.07 2.02 -1.97 -3.16 112.91 111.70 1vdm h THR 98 Ca 0.19 -2.35 -0.14 0.00 0.77 0.00 0.00 66.41 64.89 1vdm h THR 98 Cb 0.03 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1vdm h THR 98 CO -0.03 0.72 -0.39 -0.07 0.37 0.00 0.00 175.52 176.11 1vdm h LEU 99 N 0.32 0.65 -1.02 2.58 3.38 -1.91 -2.75 115.31 116.57 1vdm h LEU 99 Ca -0.12 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1vdm h LEU 99 Cb 1.67 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1vdm h LEU 99 CO 0.19 0.97 0.01 -0.33 0.09 0.00 0.00 178.44 179.38 1vdm h GLU 100 N 0.51 0.71 0.00 1.13 5.08 -1.39 0.32 114.58 120.94 1vdm h GLU 100 Ca 0.04 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1vdm h GLU 100 Cb 0.91 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1vdm h GLU 100 CO 0.08 0.72 0.00 0.28 -1.00 0.00 0.00 179.01 179.09 1vdm n VAL 101 N -4.24 0.73 -0.11 3.13 0.31 -1.12 -2.53 118.33 114.49 1vdm n VAL 101 Ca 0.02 0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.37 1vdm n VAL 101 Cb 0.28 -0.90 -0.13 0.00 -0.91 0.00 0.00 33.84 32.18 1vdm n VAL 101 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1vdm n VAL 102 N -1.70 1.38 -0.35 2.52 0.31 -0.37 -3.49 118.33 116.62 1vdm n VAL 102 Ca 0.04 -0.68 -0.03 0.00 -0.01 0.00 0.00 64.34 63.66 1vdm n VAL 102 Cb 0.24 -0.94 0.10 0.00 -0.91 0.00 0.00 33.84 32.32 1vdm n VAL 102 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1vdm h ILE 103 N 0.00 1.26 0.51 2.52 2.04 -0.27 -1.11 117.51 122.47 1vdm h ILE 103 Ca -0.54 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1vdm h ILE 103 Cb 2.03 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1vdm h ILE 103 CO -0.03 0.27 -0.25 -0.33 0.00 0.00 0.00 178.15 177.81 1vdm h GLU 104 N 1.30 -0.67 -0.67 2.37 5.08 -1.68 -2.28 114.58 118.03 1vdm h GLU 104 Ca 0.34 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.94 1vdm h GLU 104 Cb -0.07 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1vdm h GLU 104 CO -0.07 -0.39 0.70 1.49 -1.00 0.00 0.00 179.01 179.75 1vdm h GLU 105 N -1.11 0.00 0.00 2.33 4.57 -1.57 1.21 114.58 120.01 1vdm h GLU 105 Ca -0.07 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.02 1vdm h GLU 105 Cb 0.59 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1vdm h GLU 105 CO 0.12 0.00 -0.85 0.28 -1.18 0.00 0.00 179.01 177.38 1vdm h VAL 106 N 0.00 0.46 0.05 0.32 2.07 -1.08 -3.29 116.25 114.77 1vdm h VAL 106 Ca 0.32 -1.74 -0.23 0.00 0.82 0.00 0.00 66.70 65.86 1vdm h VAL 106 Cb 1.72 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.53 1vdm h VAL 106 CO -0.00 0.26 -1.09 0.11 0.02 0.00 0.00 177.57 176.87 1vdm h LYS 107 N 0.00 0.10 -0.09 1.57 1.57 0.20 -3.15 116.57 116.76 1vdm h LYS 107 Ca -0.06 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1vdm h LYS 107 Cb 1.33 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 1vdm h LYS 107 CO 0.04 1.08 -0.10 0.87 -0.57 0.00 0.00 179.45 180.76 1vdm h LYS 108 N 0.03 -0.13 0.00 3.15 1.57 -1.19 0.53 116.57 120.53 1vdm h LYS 108 Ca -0.06 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1vdm h LYS 108 Cb 1.84 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.18 1vdm h LYS 108 CO 0.16 -0.09 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 1vdm n LEU 109 N -5.24 0.00 -2.69 2.94 4.77 -1.24 -4.91 117.00 110.63 1vdm n LEU 109 Ca -0.04 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.91 1vdm n LEU 109 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1vdm n LEU 109 CO 0.25 0.00 -0.23 0.61 -1.33 0.00 0.00 177.39 176.69 1vdm n GLY 110 N -0.13 -2.90 3.88 -0.72 0.00 0.19 -2.49 105.19 103.02 1vdm n GLY 110 Ca 0.08 0.76 -0.35 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.97 3.87 0.04 4.61 0.00 -1.20 -1.38 121.76 125.74 1vdm s ALA 111 Ca 0.11 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.16 1vdm s ALA 111 Cb -0.03 -2.02 -0.17 0.00 0.00 0.00 0.00 23.12 20.89 1vdm s ALA 111 CO 0.73 0.65 1.44 -0.22 0.00 0.00 0.00 175.76 178.36 1vdm h LYS 112 N 4.25 -0.72 -4.33 0.00 3.64 -1.47 -3.46 116.57 114.48 1vdm h LYS 112 Ca -0.51 0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 58.69 1vdm h LYS 112 Cb 1.20 0.16 -0.21 0.00 -0.41 0.00 0.00 32.23 32.98 1vdm h LYS 112 CO 0.64 -0.43 -0.72 -2.00 -2.27 0.00 0.00 179.45 174.67 1vdm s GLU 113 N -5.46 0.45 -0.07 1.90 2.12 -1.21 -4.98 118.70 111.46 1vdm s GLU 113 Ca -0.16 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.44 1vdm s GLU 113 Cb 0.03 -0.12 0.03 0.00 0.26 0.00 0.00 34.13 34.32 1vdm s GLU 113 CO 0.57 0.01 0.01 0.42 -0.54 0.00 0.00 175.26 175.72 1vdm s ILE 114 N -1.51 0.32 -0.01 -3.70 1.01 -1.26 -0.62 121.20 115.43 1vdm s ILE 114 Ca -0.12 0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.73 1vdm s ILE 114 Cb -0.09 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 1vdm s ILE 114 CO -0.00 0.25 -0.14 -0.54 0.00 0.00 0.00 174.94 174.50 1vdm s LYS 115 N 1.96 1.15 -0.17 2.79 1.02 -1.04 -5.03 119.74 120.42 1vdm s LYS 115 Ca 0.04 -0.51 -0.07 0.00 0.02 0.00 0.00 55.97 55.45 1vdm s LYS 115 Cb -0.12 -1.11 -0.04 0.00 -0.52 0.00 0.00 37.83 36.03 1vdm s LYS 115 CO -0.05 0.31 0.06 0.42 -0.92 0.00 0.00 175.35 175.17 1vdm s ILE 116 N -0.34 4.77 -0.18 2.17 1.01 -1.26 -1.49 121.20 125.87 1vdm s ILE 116 Ca 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1vdm s ILE 116 Cb -0.06 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.32 1vdm s ILE 116 CO -0.01 0.49 -0.15 0.00 0.00 0.00 0.00 174.94 175.28 1vdm s ALA 117 N 0.15 2.06 0.11 9.38 0.00 0.55 -0.42 121.76 133.59 1vdm s ALA 117 Ca 0.05 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.96 1vdm s ALA 117 Cb -0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 1vdm s ALA 117 CO 0.01 -0.52 -0.17 0.00 0.00 0.00 0.00 175.76 175.07 1vdm h LEU 119 N 3.89 -0.00 -9.45 0.00 3.38 -1.33 -3.30 115.31 108.50 1vdm h LEU 119 Ca -0.43 -0.62 -0.60 0.00 0.09 0.00 0.00 57.88 56.33 1vdm h LEU 119 Cb 1.19 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.82 1vdm h LEU 119 CO 0.44 0.62 -0.67 0.00 0.09 0.00 0.00 178.44 178.92 1vdm s ALA 120 N -3.69 3.02 -0.19 1.53 0.00 -0.19 -0.59 121.76 121.65 1vdm s ALA 120 Ca -0.17 -1.93 -0.14 0.00 0.00 0.00 0.00 51.96 49.73 1vdm s ALA 120 Cb 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 23.12 22.86 1vdm s ALA 120 CO 0.67 0.15 0.48 1.41 0.00 0.00 0.00 175.76 178.48 1vdm s MET 121 N -3.63 0.52 -0.11 0.00 1.75 -0.49 -2.20 119.30 115.14 1vdm s MET 121 Ca 0.33 0.79 -0.09 0.00 -1.25 0.00 0.00 55.69 55.47 1vdm s MET 121 Cb -0.02 0.15 -0.04 0.00 2.84 0.00 0.00 34.83 37.76 1vdm s MET 121 CO 0.18 -0.11 0.18 0.15 -0.65 0.00 0.00 175.02 174.77 1vdm s LYS 122 N 0.86 3.60 0.50 4.11 1.02 -0.90 -3.02 119.74 125.92 1vdm s LYS 122 Ca -0.05 -0.05 0.31 0.00 0.02 0.00 0.00 55.97 56.19 1vdm s LYS 122 Cb -0.05 -3.22 1.42 0.00 -0.52 0.00 0.00 37.83 35.45 1vdm s LYS 122 CO -0.07 0.71 1.82 -1.00 -0.92 0.00 0.00 175.35 175.89 1vdm h PRO 123 N 5.15 0.10 -0.18 -1.68 0.13 -1.90 -1.47 132.00 132.15 1vdm h PRO 123 Ca -0.53 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1vdm h PRO 123 Cb 1.22 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1vdm h PRO 123 CO 0.61 0.07 0.00 -2.67 -0.23 0.00 0.00 178.00 175.77 1vdm n TRP 124 N -4.32 0.23 -1.95 1.56 2.14 -1.26 -4.96 117.44 108.89 1vdm n TRP 124 Ca 0.23 -0.11 -0.38 0.00 2.07 0.00 0.00 57.50 59.31 1vdm n TRP 124 Cb 1.07 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 31.59 1vdm n TRP 124 CO 0.00 0.00 0.00 -0.08 2.07 0.00 0.00 177.69 179.68 1vdm s THR 125 N -1.77 2.42 -0.91 -1.67 -1.32 -0.56 -4.90 115.64 106.94 1vdm s THR 125 Ca 0.32 0.33 0.26 0.00 -1.21 0.00 0.00 61.69 61.38 1vdm s THR 125 Cb 0.17 -3.17 0.10 0.00 -1.51 0.00 0.00 72.50 68.09 1vdm s THR 125 CO 0.26 0.00 1.56 -1.54 -2.21 0.00 0.00 174.62 172.69 1vdm n SER 126 N -0.75 0.43 -3.84 8.08 3.41 -0.68 -4.53 113.62 115.75 1vdm n SER 126 Ca 0.09 0.08 -0.30 0.00 -0.26 0.00 0.00 58.87 58.48 1vdm n SER 126 Cb 0.46 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.23 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 -3.04 1.93 -0.44 -3.33 1.01 -1.26 -5.04 120.40 110.22 1vdm s VAL 127 Ca 0.11 -2.78 -0.29 0.00 0.00 0.00 0.00 61.98 59.01 1vdm s VAL 127 Cb 0.17 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1vdm s VAL 127 CO 0.65 -0.82 1.30 -0.69 0.00 0.00 0.00 175.10 175.54 1vdm s VAL 128 N 0.21 4.02 0.87 2.92 1.01 -1.26 -4.91 120.40 123.25 1vdm s VAL 128 Ca 0.16 1.04 -0.12 0.00 0.00 0.00 0.00 61.98 63.06 1vdm s VAL 128 Cb -0.24 -4.37 0.09 0.00 0.00 0.00 0.00 36.38 31.85 1vdm s VAL 128 CO -0.02 -0.87 0.98 -0.81 0.00 0.00 0.00 175.10 174.38 1vdm n PRO 129 N 8.00 -0.12 0.15 2.72 -0.04 -1.26 -4.91 135.00 139.54 1vdm n PRO 129 Ca 0.15 0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.67 1vdm n PRO 129 Cb 0.48 -2.26 0.13 0.00 -0.04 0.00 0.00 33.50 31.82 1vdm n PRO 129 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1vdm h ASP 130 N -1.33 0.00 -3.52 3.54 5.19 -1.12 -3.44 116.42 115.74 1vdm h ASP 130 Ca -0.45 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 55.67 1vdm h ASP 130 Cb 1.29 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 40.46 1vdm h ASP 130 CO 0.42 0.48 -0.73 -0.31 -3.12 0.00 0.00 179.24 175.98 1vdm s TYR 131 N -3.17 0.03 0.20 4.55 1.51 -0.90 -5.01 117.35 114.55 1vdm s TYR 131 Ca 0.02 0.14 -0.23 0.00 -1.01 0.00 0.00 57.07 56.00 1vdm s TYR 131 Cb 0.09 -0.24 0.05 0.00 -0.11 0.00 0.00 41.96 41.75 1vdm s TYR 131 CO 0.73 -0.09 0.69 1.52 -1.11 0.00 0.00 175.55 177.28 1vdm s TYR 132 N 1.09 -0.35 0.06 2.71 -0.85 -1.25 -1.04 117.35 117.72 1vdm s TYR 132 Ca -0.09 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 1vdm s TYR 132 Cb -0.13 0.63 0.00 0.00 0.38 0.00 0.00 41.96 42.84 1vdm s TYR 132 CO -0.03 -1.01 0.00 0.28 -1.52 0.00 0.00 175.55 173.27 1vdm n VAL 133 N -0.41 0.73 -3.22 -3.49 0.31 -0.29 -5.03 118.33 106.92 1vdm n VAL 133 Ca -0.10 0.24 -0.36 0.00 -0.01 0.00 0.00 64.34 64.11 1vdm n VAL 133 Cb 0.62 -1.53 -0.06 0.00 -0.91 0.00 0.00 33.84 31.96 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 -2.00 3.67 -0.11 3.52 0.40 0.25 -5.01 117.98 118.70 1vdm s PHE 134 Ca 0.00 1.26 -0.03 0.00 -0.60 0.00 0.00 56.93 57.55 1vdm s PHE 134 Cb 0.00 -2.51 0.04 0.00 0.51 0.00 0.00 43.02 41.07 1vdm s PHE 134 CO 0.00 0.43 0.06 0.50 0.70 0.00 0.00 175.22 176.91 1vdm s ARG 135 N -1.77 0.17 0.25 0.44 3.52 -1.26 -1.39 118.95 118.90 1vdm s ARG 135 Ca 0.38 0.07 -0.13 0.00 -0.13 0.00 0.00 55.73 55.91 1vdm s ARG 135 Cb -0.17 -1.28 -0.00 0.00 -1.56 0.00 0.00 34.95 31.94 1vdm s ARG 135 CO 0.20 -0.49 0.49 -0.08 -0.81 0.00 0.00 175.30 174.61 1vdm s THR 136 N 2.09 0.00 -0.20 4.11 -1.32 -1.17 -5.01 115.64 114.15 1vdm s THR 136 Ca 0.03 -1.37 0.05 0.00 -1.21 0.00 0.00 61.69 59.20 1vdm s THR 136 Cb -0.14 -2.16 -0.06 0.00 -1.51 0.00 0.00 72.50 68.62 1vdm s THR 136 CO -0.06 -0.01 0.20 -0.62 -2.21 0.00 0.00 174.62 171.92 1vdm n GLU 137 N -0.38 4.17 -1.58 7.08 1.02 -1.26 -4.16 120.64 125.53 1vdm n GLU 137 Ca -0.02 -0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.80 1vdm n GLU 137 Cb 0.62 -0.83 0.06 0.00 -0.02 0.00 0.00 31.44 31.27 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 -1.69 2.69 -0.23 3.49 1.02 -1.26 -4.96 119.74 118.80 1vdm s LYS 138 Ca 0.01 0.83 -0.28 0.00 0.02 0.00 0.00 55.97 56.55 1vdm s LYS 138 Cb 0.04 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1vdm s LYS 138 CO 0.22 -1.24 1.98 -0.46 -0.92 0.00 0.00 175.35 174.93 1vdm s TRP 139 N -3.09 1.51 -0.15 3.18 -0.11 -1.26 -4.87 118.94 114.14 1vdm s TRP 139 Ca 0.59 0.48 -0.16 0.00 1.22 0.00 0.00 56.10 58.22 1vdm s TRP 139 Cb -0.14 -4.03 -0.04 0.00 -1.50 0.00 0.00 33.47 27.76 1vdm s TRP 139 CO 0.55 -3.70 0.40 0.42 -4.62 0.00 0.00 176.95 170.00 1vdm s ILE 140 N 7.10 5.22 -0.30 5.86 1.01 -1.26 -1.19 121.20 137.64 1vdm s ILE 140 Ca 0.89 0.77 -0.04 0.00 0.00 0.00 0.00 60.65 62.27 1vdm s ILE 140 Cb -0.29 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.47 1vdm s ILE 140 CO 0.34 0.32 0.04 -0.69 0.00 0.00 0.00 174.94 174.95 1vdm s VAL 141 N 0.78 3.41 0.42 2.92 1.01 0.55 -4.95 120.40 124.54 1vdm s VAL 141 Ca 0.21 -1.12 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1vdm s VAL 141 Cb -0.14 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 1vdm s VAL 141 CO 0.08 -0.05 0.89 -0.36 0.00 0.00 0.00 175.10 175.66 1vdm s PHE 142 N 1.36 3.37 0.30 5.22 0.40 -1.26 -2.53 117.98 124.83 1vdm s PHE 142 Ca -0.02 1.43 0.01 0.00 -0.60 0.00 0.00 56.93 57.76 1vdm s PHE 142 Cb -0.19 -2.72 0.72 0.00 0.51 0.00 0.00 43.02 41.34 1vdm s PHE 142 CO 0.00 -0.11 1.60 -1.35 0.70 0.00 0.00 175.22 176.07 1vdm h PRO 143 N 1.75 0.07 0.00 0.24 0.11 -1.90 0.12 132.00 132.39 1vdm h PRO 143 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1vdm h PRO 143 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1vdm h PRO 143 CO 0.62 0.05 0.00 -2.67 -0.21 0.00 0.00 178.00 175.79 1vdm n TRP 144 N -5.38 0.00 -2.95 0.65 2.14 -1.26 -4.79 117.44 105.84 1vdm n TRP 144 Ca 0.22 0.00 -0.25 0.00 2.07 0.00 0.00 57.50 59.54 1vdm n TRP 144 Cb 0.72 -0.50 0.00 0.00 -0.81 0.00 0.00 31.31 30.72 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 -2.99 3.38 0.12 -2.67 2.02 0.41 -5.07 118.70 113.91 1vdm s GLU 145 Ca 0.10 -0.14 -0.25 0.00 0.02 0.00 0.00 54.97 54.69 1vdm s GLU 145 Cb 0.13 -2.51 -0.07 0.00 0.10 0.00 0.00 34.13 31.78 1vdm s GLU 145 CO 0.36 -0.13 0.77 -2.00 0.02 0.00 0.00 175.26 174.28 1vdm s GLU 146 N -4.57 4.54 -0.00 1.61 2.12 -1.26 -4.86 118.70 116.28 1vdm s GLU 146 Ca 0.45 1.13 -0.30 0.00 0.36 0.00 0.00 54.97 56.61 1vdm s GLU 146 Cb -0.10 -3.30 -0.07 0.00 0.26 0.00 0.00 34.13 30.93 1vdm s GLU 146 CO 0.40 0.47 1.65 -0.06 -0.54 0.00 0.00 175.26 177.18 1vdm s PHE 147 N -0.77 2.17 0.37 5.30 0.40 -1.26 -4.96 117.98 119.23 1vdm s PHE 147 Ca 0.37 0.26 -0.28 0.00 -0.60 0.00 0.00 56.93 56.68 1vdm s PHE 147 Cb -0.22 -3.93 -0.10 0.00 0.51 0.00 0.00 43.02 39.28 1vdm s PHE 147 CO 0.25 -3.81 1.38 -2.14 0.70 0.00 0.00 175.22 171.60 1vdm s PRO 148 N 3.42 4.17 -0.15 0.24 0.02 -1.26 -5.02 135.00 136.42 1vdm s PRO 148 Ca 0.73 2.35 0.02 0.00 0.02 0.00 0.00 61.00 64.12 1vdm s PRO 148 Cb -0.36 -2.96 0.01 0.00 0.02 0.00 0.00 34.50 31.21 1vdm s PRO 148 CO 0.31 -0.39 -0.21 0.08 -0.33 0.00 0.00 177.00 176.46 1vdm s VAL 149 N -1.15 2.14 -0.15 3.83 1.01 -1.26 -5.10 120.40 119.71 1vdm s VAL 149 Ca 0.52 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 1vdm s VAL 149 Cb -0.42 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1vdm s VAL 149 CO 0.56 0.54 0.78 -0.63 0.00 0.00 0.00 175.10 176.35 1vdm s ILE 150 N 0.92 4.94 0.46 2.22 1.09 -1.26 -5.05 121.20 124.52 1vdm s ILE 150 Ca -0.04 1.53 0.05 0.00 -1.10 0.00 0.00 60.65 61.09 1vdm s ILE 150 Cb -0.15 -4.09 -0.04 0.00 -1.06 0.00 0.00 42.46 37.12 1vdm s ILE 150 CO -0.04 0.09 0.10 -1.61 -0.10 0.00 0.00 174.94 173.38 1vdm s GLU 151 N 1.80 2.14 0.00 2.79 2.02 -1.26 -5.36 118.70 120.83 1vdm s GLU 151 Ca 0.37 -2.14 0.30 0.00 0.02 0.00 0.00 54.97 53.52 1vdm s GLU 151 Cb -0.17 -1.74 1.40 0.00 0.10 0.00 0.00 34.13 33.72 1vdm s GLU 151 CO 0.14 -0.25 1.94 1.63 0.02 0.00 0.00 175.26 178.75