#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 3.85 -4.40 7.83 5.68 -1.26 -4.91 116.55 123.34 1vdm n ASP 2 Ca 0.00 -3.45 -0.23 0.00 -0.50 0.00 0.00 54.79 50.61 1vdm n ASP 2 Cb 0.00 -0.81 -0.11 0.00 -1.14 0.00 0.00 41.12 39.06 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 -2.97 1.46 -0.27 0.11 1.02 -1.26 -4.04 119.74 113.79 1vdm s LYS 3 Ca 0.51 -1.56 -0.06 0.00 0.02 0.00 0.00 55.97 54.88 1vdm s LYS 3 Cb 0.43 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 36.19 1vdm s LYS 3 CO 0.09 0.31 0.04 0.08 -0.92 0.00 0.00 175.35 174.95 1vdm s VAL 4 N -2.21 3.73 -0.73 3.17 1.01 0.42 -4.96 120.40 120.83 1vdm s VAL 4 Ca 0.22 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 1vdm s VAL 4 Cb -0.05 -2.86 0.19 0.00 0.00 0.00 0.00 36.38 33.65 1vdm s VAL 4 CO 0.10 0.19 0.69 -0.31 0.00 0.00 0.00 175.10 175.76 1vdm s TYR 5 N 1.48 3.57 0.02 5.22 1.51 -1.26 0.42 117.35 128.31 1vdm s TYR 5 Ca 0.03 -1.73 -0.30 0.00 -1.01 0.00 0.00 57.07 54.06 1vdm s TYR 5 Cb -0.16 -3.83 -0.06 0.00 -0.11 0.00 0.00 41.96 37.80 1vdm s TYR 5 CO 0.01 -1.02 1.43 -0.51 -1.11 0.00 0.00 175.55 174.34 1vdm s LEU 6 N 0.75 4.33 0.76 -1.29 1.43 -0.94 -5.00 118.68 118.71 1vdm s LEU 6 Ca 0.13 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.28 1vdm s LEU 6 Cb -0.17 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.54 1vdm s LEU 6 CO -0.05 -0.73 1.11 0.42 0.23 0.00 0.00 176.35 177.34 1vdm s THR 7 N 2.32 3.03 0.28 5.49 -4.23 -1.26 -2.91 115.64 118.37 1vdm s THR 7 Ca 0.65 0.33 0.03 0.00 -1.18 0.00 0.00 61.69 61.52 1vdm s THR 7 Cb -0.33 -3.25 0.07 0.00 1.34 0.00 0.00 72.50 70.33 1vdm s THR 7 CO 0.27 -0.44 1.73 -0.50 -0.54 0.00 0.00 174.62 175.14 1vdm h TRP 8 N -0.88 0.53 -0.31 3.99 4.06 -1.96 -1.62 115.95 119.76 1vdm h TRP 8 Ca -0.46 -0.11 -0.09 0.00 2.06 0.00 0.00 58.89 60.29 1vdm h TRP 8 Cb 1.28 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 29.29 1vdm h TRP 8 CO 0.45 0.69 -0.19 2.35 -3.56 0.00 0.00 178.44 178.17 1vdm h TRP 9 N 0.42 0.62 -0.60 0.49 -0.00 -1.99 0.17 115.95 115.06 1vdm h TRP 9 Ca 0.06 -0.12 -0.08 0.00 -0.00 0.00 0.00 58.89 58.75 1vdm h TRP 9 Cb 0.66 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.16 29.64 1vdm h TRP 9 CO 0.02 0.72 0.06 1.96 -0.00 0.00 0.00 178.44 181.20 1vdm h GLN 10 N 0.51 1.01 -0.16 2.65 4.20 -1.81 -0.71 115.11 120.79 1vdm h GLN 10 Ca 0.08 -0.28 -0.18 0.00 0.06 0.00 0.00 58.65 58.33 1vdm h GLN 10 Cb 0.61 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1vdm h GLN 10 CO 0.04 0.96 -0.63 0.28 -0.67 0.00 0.00 178.83 178.81 1vdm h VAL 11 N 0.94 1.32 -0.00 -0.54 2.07 -0.59 -2.03 116.25 117.43 1vdm h VAL 11 Ca 0.18 -1.90 -0.00 0.00 0.82 0.00 0.00 66.70 65.80 1vdm h VAL 11 Cb 0.47 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1vdm h VAL 11 CO 0.02 0.59 0.00 0.44 0.02 0.00 0.00 177.57 178.64 1vdm h ASP 12 N 0.43 0.01 -0.68 0.57 3.32 -0.46 -0.61 116.42 118.99 1vdm h ASP 12 Ca -0.01 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.75 1vdm h ASP 12 Cb 1.20 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 1vdm h ASP 12 CO 0.12 0.30 0.45 0.03 -1.72 0.00 0.00 179.24 178.42 1vdm h ARG 13 N -0.29 0.90 -0.48 3.56 3.08 -1.17 -0.08 114.38 119.90 1vdm h ARG 13 Ca 0.00 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1vdm h ARG 13 Cb 0.30 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1vdm h ARG 13 CO 0.00 0.60 -0.09 0.00 -1.07 0.00 0.00 179.97 179.41 1vdm h ALA 14 N 1.57 0.66 -0.45 0.04 0.00 -1.22 -1.74 119.26 118.10 1vdm h ALA 14 Ca 0.25 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1vdm h ALA 14 Cb -0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1vdm h ALA 14 CO -0.05 0.54 -0.14 0.82 0.00 0.00 0.00 179.25 180.42 1vdm h ILE 15 N 0.76 1.26 -0.58 0.00 2.04 -0.48 -1.90 117.51 118.61 1vdm h ILE 15 Ca 0.12 -1.25 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 1vdm h ILE 15 Cb 0.64 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1vdm h ILE 15 CO 0.04 0.43 0.04 -0.26 0.00 0.00 0.00 178.15 178.40 1vdm h PHE 16 N 0.76 1.05 -0.40 1.37 0.04 -0.86 -1.02 116.94 117.88 1vdm h PHE 16 Ca 0.12 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 1vdm h PHE 16 Cb 0.66 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 1vdm h PHE 16 CO 0.04 0.92 0.09 0.00 -0.60 0.00 0.00 178.31 178.75 1vdm h ALA 17 N 1.12 0.53 -0.55 2.45 0.00 -1.14 -2.54 119.26 119.13 1vdm h ALA 17 Ca 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1vdm h ALA 17 Cb 0.48 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1vdm h ALA 17 CO 0.02 0.22 0.28 -0.07 0.00 0.00 0.00 179.25 179.70 1vdm h LEU 18 N 0.50 0.70 -0.23 0.00 3.38 -1.14 -2.97 115.31 115.56 1vdm h LEU 18 Ca 0.12 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1vdm h LEU 18 Cb 0.33 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1vdm h LEU 18 CO 0.00 0.61 -0.20 0.00 0.09 0.00 0.00 178.44 178.94 1vdm h ALA 19 N 1.12 -0.08 -0.92 1.53 0.00 -0.95 0.26 119.26 120.22 1vdm h ALA 19 Ca 0.19 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.32 1vdm h ALA 19 Cb 0.08 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1vdm h ALA 19 CO -0.03 -0.63 0.59 1.49 0.00 0.00 0.00 179.25 180.67 1vdm h GLU 20 N -0.21 0.75 -0.09 0.00 4.57 -1.31 0.14 114.58 118.44 1vdm h GLU 20 Ca 0.13 -0.05 -0.24 0.00 -1.18 0.00 0.00 59.36 58.03 1vdm h GLU 20 Cb 0.41 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1vdm h GLU 20 CO -0.35 0.50 -0.89 0.87 -1.18 0.00 0.00 179.01 177.96 1vdm h LYS 21 N 0.78 0.73 0.00 1.92 6.56 -1.11 -3.09 116.57 122.36 1vdm h LYS 21 Ca 0.47 -0.67 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 1vdm h LYS 21 Cb 0.66 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.49 1vdm h LYS 21 CO -0.23 1.27 0.00 -0.07 -2.06 0.00 0.00 179.45 178.36 1vdm h LEU 22 N 0.46 0.00 -1.17 2.94 3.38 0.63 -2.74 115.31 118.82 1vdm h LEU 22 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1vdm h LEU 22 Cb 1.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 1vdm h LEU 22 CO 0.18 0.00 -0.07 0.03 0.09 0.00 0.00 178.44 178.66 1vdm h ARG 23 N 0.00 0.49 0.00 1.13 3.08 -0.93 -1.10 114.38 117.05 1vdm h ARG 23 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1vdm h ARG 23 Cb 0.43 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1vdm h ARG 23 CO 0.00 0.57 0.00 0.93 -1.07 0.00 0.00 179.97 180.40 1vdm h GLU 24 N 0.46 0.00 0.00 0.04 5.08 -1.60 -3.07 114.58 115.49 1vdm h GLU 24 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1vdm h GLU 24 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1vdm h GLU 24 CO 0.02 0.00 -1.46 0.98 -1.00 0.00 0.00 179.01 177.55 1vdm n TYR 25 N -2.98 0.66 -3.44 4.33 9.36 -0.59 -5.04 117.16 119.46 1vdm n TYR 25 Ca 0.02 0.20 -0.14 0.00 3.32 0.00 0.00 57.90 61.30 1vdm n TYR 25 Cb 0.35 -0.88 0.00 0.00 -0.63 0.00 0.00 39.34 38.18 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 -2.63 -1.47 -2.12 2.98 5.02 -0.52 -4.93 118.16 114.49 1vdm n LYS 26 Ca -0.06 1.13 -0.41 0.00 -2.02 0.00 0.00 58.31 56.95 1vdm n LYS 26 Cb 0.67 -3.89 -0.02 0.00 -0.02 0.00 0.00 35.03 31.77 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 -3.99 4.35 0.09 1.97 0.02 -1.26 -4.81 135.00 131.38 1vdm s PRO 27 Ca 0.01 2.19 0.20 0.00 0.02 0.00 0.00 61.00 63.43 1vdm s PRO 27 Cb -0.00 -3.10 -0.12 0.00 0.02 0.00 0.00 34.50 31.29 1vdm s PRO 27 CO 0.83 -0.23 0.81 -0.25 -0.33 0.00 0.00 177.00 177.83 1vdm n ASP 28 N 1.38 0.63 -3.58 2.53 10.43 -0.22 -4.96 116.55 122.76 1vdm n ASP 28 Ca 0.02 0.26 -0.16 0.00 2.57 0.00 0.00 54.79 57.48 1vdm n ASP 28 Cb 0.42 0.71 -0.06 0.00 1.84 0.00 0.00 41.12 44.02 1vdm n ASP 28 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1vdm s VAL 29 N -3.21 0.02 -0.03 2.53 0.11 -1.13 -4.42 120.40 114.26 1vdm s VAL 29 Ca -0.03 -0.16 0.07 0.00 -2.93 0.00 0.00 61.98 58.93 1vdm s VAL 29 Cb 0.10 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 1vdm s VAL 29 CO 0.82 -0.09 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.65 1vdm s ILE 30 N -1.57 2.33 -0.26 7.04 1.01 -0.75 -2.72 121.20 126.28 1vdm s ILE 30 Ca -0.10 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.57 1vdm s ILE 30 Cb -0.01 -1.84 0.07 0.00 0.01 0.00 0.00 42.46 40.68 1vdm s ILE 30 CO 0.06 0.58 -0.07 -0.63 0.00 0.00 0.00 174.94 174.88 1vdm s ILE 31 N -0.62 1.96 -0.13 2.92 1.01 -0.83 -0.05 121.20 125.47 1vdm s ILE 31 Ca 0.10 -1.59 -0.18 0.00 0.00 0.00 0.00 60.65 58.98 1vdm s ILE 31 Cb -0.10 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1vdm s ILE 31 CO -0.00 -0.13 0.46 -0.83 0.00 0.00 0.00 174.94 174.44 1vdm s GLY 32 N 1.18 2.34 -0.28 6.18 0.00 -0.23 -0.73 107.32 115.78 1vdm s GLY 32 Ca -0.06 -0.24 -0.23 0.00 0.00 0.00 0.00 44.72 44.20 1vdm s GLY 32 CO -0.06 0.77 0.77 0.14 0.00 0.00 0.00 173.10 174.72 1vdm s VAL 33 N 0.72 4.84 0.52 1.40 1.01 -0.43 -2.08 120.40 126.37 1vdm s VAL 33 Ca 0.25 1.30 -0.19 0.00 0.00 0.00 0.00 61.98 63.33 1vdm s VAL 33 Cb -0.15 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 1vdm s VAL 33 CO 0.10 -0.14 1.06 0.00 0.00 0.00 0.00 175.10 176.11 1vdm s ALA 34 N 2.83 2.81 -0.19 5.51 0.00 -0.44 0.15 121.76 132.44 1vdm s ALA 34 Ca 0.32 0.61 0.11 0.00 0.00 0.00 0.00 51.96 53.00 1vdm s ALA 34 Cb -0.15 -3.27 -0.20 0.00 0.00 0.00 0.00 23.12 19.51 1vdm s ALA 34 CO 0.10 -0.48 -0.02 0.54 0.00 0.00 0.00 175.76 175.90 1vdm n ARG 35 N -1.21 0.95 -0.19 0.00 1.74 -1.26 -4.65 116.66 112.03 1vdm n ARG 35 Ca 0.10 0.03 0.09 0.00 -0.77 0.00 0.00 57.85 57.30 1vdm n ARG 35 Cb 0.52 -1.45 0.39 0.00 -1.02 0.00 0.00 32.46 30.90 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 2.96 0.94 0.14 -0.13 0.00 -2.01 -1.72 103.07 103.25 1vdm h GLY 36 Ca -0.49 -0.28 0.20 0.00 0.00 0.00 0.00 47.33 46.76 1vdm h GLY 36 CO -0.01 0.17 0.62 -1.33 0.00 0.00 0.00 176.54 175.99 1vdm h GLY 37 N 0.67 1.59 2.00 4.60 0.00 -0.57 -2.49 103.07 108.88 1vdm h GLY 37 Ca 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1vdm h GLY 37 CO -0.12 -0.06 0.00 1.41 0.00 0.00 0.00 176.54 177.77 1vdm h LEU 38 N 0.68 0.00 0.50 3.11 3.38 -1.29 -1.91 115.31 119.79 1vdm h LEU 38 Ca 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.51 1vdm h LEU 38 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1vdm h LEU 38 CO -0.34 0.00 -0.24 0.40 0.09 0.00 0.00 178.44 178.35 1vdm h ILE 39 N 0.00 0.11 -0.44 1.22 5.03 -1.61 -1.42 117.51 120.40 1vdm h ILE 39 Ca 0.00 -0.52 -0.01 0.00 -0.12 0.00 0.00 64.86 64.21 1vdm h ILE 39 Cb 0.18 0.18 -0.02 0.00 -3.03 0.00 0.00 36.82 34.13 1vdm h ILE 39 CO 0.00 0.02 0.22 -0.65 -0.68 0.00 0.00 178.15 177.07 1vdm h PRO 40 N -1.14 0.61 0.39 2.37 0.11 -1.71 -2.74 132.00 129.89 1vdm h PRO 40 Ca -0.07 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1vdm h PRO 40 Cb 0.56 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1vdm h PRO 40 CO 0.11 0.47 -0.27 0.00 -0.21 0.00 0.00 178.00 178.11 1vdm h ALA 41 N 1.63 -0.64 -0.17 -0.75 0.00 -1.34 0.12 119.26 118.10 1vdm h ALA 41 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1vdm h ALA 41 Cb 0.05 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1vdm h ALA 41 CO -0.02 -0.88 -0.01 0.28 0.00 0.00 0.00 179.25 178.62 1vdm h VAL 42 N -0.64 0.86 -0.58 0.00 2.07 -1.14 0.47 116.25 117.30 1vdm h VAL 42 Ca -0.04 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1vdm h VAL 42 Cb 0.54 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1vdm h VAL 42 CO 0.02 0.01 0.33 0.03 0.02 0.00 0.00 177.57 177.98 1vdm h ARG 43 N 0.04 0.62 -0.08 1.57 3.08 -1.36 -1.81 114.38 116.44 1vdm h ARG 43 Ca 0.08 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1vdm h ARG 43 Cb 0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1vdm h ARG 43 CO -0.15 0.41 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.80 1vdm h LEU 44 N 0.63 0.15 -0.83 3.04 3.38 -0.34 -0.37 115.31 120.97 1vdm h LEU 44 Ca 0.24 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1vdm h LEU 44 Cb 0.09 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1vdm h LEU 44 CO -0.13 0.44 0.44 -1.28 0.09 0.00 0.00 178.44 178.00 1vdm h SER 45 N 0.13 1.06 0.16 -0.43 0.87 -0.08 -1.70 113.55 113.57 1vdm h SER 45 Ca 0.02 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1vdm h SER 45 Cb 0.59 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1vdm h SER 45 CO 0.04 0.86 -0.08 0.45 -0.53 0.00 0.00 176.83 177.58 1vdm h HIS 46 N 1.17 -0.20 -0.21 2.24 3.86 -1.00 -0.78 115.15 120.22 1vdm h HIS 46 Ca 0.29 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.56 1vdm h HIS 46 Cb 0.06 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1vdm h HIS 46 CO 0.01 0.22 0.21 0.82 0.86 0.00 0.00 177.93 180.05 1vdm h ILE 47 N -0.88 0.53 -0.84 2.45 2.04 -1.05 -2.55 117.51 117.20 1vdm h ILE 47 Ca -0.02 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.48 1vdm h ILE 47 Cb 0.52 0.83 -0.21 0.00 -0.74 0.00 0.00 36.82 37.22 1vdm h ILE 47 CO 0.04 0.00 0.44 0.18 0.00 0.00 0.00 178.15 178.80 1vdm n LEU 48 N -3.90 6.27 -0.77 1.44 4.77 -0.64 -4.91 117.00 119.26 1vdm n LEU 48 Ca 0.02 -3.45 0.00 0.00 -0.03 0.00 0.00 56.01 52.55 1vdm n LEU 48 Cb 0.34 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1vdm n LEU 48 CO 0.29 0.96 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1vdm n GLY 49 N -0.71 0.53 4.08 -0.72 0.00 -0.96 -4.31 105.19 103.10 1vdm n GLY 49 Ca 0.50 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.49 0.81 -4.77 1.61 10.43 -0.33 -4.89 116.55 118.92 1vdm n ASP 50 Ca 0.00 -1.11 -0.39 0.00 2.57 0.00 0.00 54.79 55.86 1vdm n ASP 50 Cb 0.42 -1.38 -0.05 0.00 1.84 0.00 0.00 41.12 41.95 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 -4.20 3.77 0.23 0.53 -4.36 -1.03 -4.95 121.20 111.18 1vdm s ILE 51 Ca 0.01 1.59 -0.29 0.00 -0.26 0.00 0.00 60.65 61.70 1vdm s ILE 51 Cb -0.00 -3.94 -0.16 0.00 1.25 0.00 0.00 42.46 39.61 1vdm s ILE 51 CO 0.87 0.24 0.73 -0.81 0.24 0.00 0.00 174.94 176.21 1vdm n PRO 52 N 0.74 0.53 -4.44 0.37 -0.04 -1.26 -4.76 135.00 126.14 1vdm n PRO 52 Ca 0.01 0.18 -0.33 0.00 -0.04 0.00 0.00 63.50 63.33 1vdm n PRO 52 Cb 0.47 -1.35 -0.16 0.00 -0.04 0.00 0.00 33.50 32.43 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 1.92 2.33 -0.06 1.53 2.96 -1.26 -1.81 118.68 124.28 1vdm s LEU 53 Ca 0.63 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1vdm s LEU 53 Cb -0.85 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1vdm s LEU 53 CO 0.57 0.06 -0.07 -0.54 -1.32 0.00 0.00 176.35 175.05 1vdm s LYS 54 N 0.96 2.73 -0.10 1.98 1.02 0.93 -4.99 119.74 122.27 1vdm s LYS 54 Ca -0.03 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1vdm s LYS 54 Cb -0.15 -2.58 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 1vdm s LYS 54 CO -0.03 0.66 -0.10 0.08 -0.92 0.00 0.00 175.35 175.04 1vdm s VAL 55 N -0.81 3.41 -0.00 3.17 1.01 -1.26 -1.07 120.40 124.84 1vdm s VAL 55 Ca 0.13 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1vdm s VAL 55 Cb -0.11 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1vdm s VAL 55 CO 0.02 0.55 -0.13 -0.51 0.00 0.00 0.00 175.10 175.03 1vdm s ILE 56 N -0.21 1.00 -0.13 2.22 2.07 -0.89 -4.23 121.20 121.03 1vdm s ILE 56 Ca 0.02 -0.59 -0.00 0.00 -1.41 0.00 0.00 60.65 58.67 1vdm s ILE 56 Cb -0.13 -0.84 0.03 0.00 0.13 0.00 0.00 42.46 41.65 1vdm s ILE 56 CO 0.03 0.24 -0.09 -0.62 -1.91 0.00 0.00 174.94 172.60 1vdm s ASP 57 N -0.39 2.46 -0.12 4.50 3.68 0.35 -1.32 116.67 125.81 1vdm s ASP 57 Ca 0.04 -0.44 -0.01 0.00 2.13 0.00 0.00 52.55 54.28 1vdm s ASP 57 Cb -0.05 -0.94 -0.02 0.00 -1.45 0.00 0.00 42.92 40.46 1vdm s ASP 57 CO -0.00 -0.12 -0.10 -0.69 0.13 0.00 0.00 175.17 174.39 1vdm s VAL 58 N 1.64 3.39 0.13 1.11 1.01 -1.26 -0.65 120.40 125.76 1vdm s VAL 58 Ca 0.04 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1vdm s VAL 58 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1vdm s VAL 58 CO -0.09 0.53 -0.15 -0.54 0.00 0.00 0.00 175.10 174.85 1vdm s LYS 59 N 0.13 1.07 -0.07 2.72 1.02 -0.55 -4.93 119.74 119.14 1vdm s LYS 59 Ca -0.04 -1.27 0.04 0.00 0.02 0.00 0.00 55.97 54.72 1vdm s LYS 59 Cb -0.14 -1.00 -0.00 0.00 -0.52 0.00 0.00 37.83 36.17 1vdm s LYS 59 CO 0.04 0.20 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.40 1vdm s PHE 60 N -2.09 2.12 0.32 3.18 0.40 -1.26 -0.37 117.98 120.28 1vdm s PHE 60 Ca 0.10 -0.73 0.09 0.00 -0.60 0.00 0.00 56.93 55.79 1vdm s PHE 60 Cb -0.05 -1.43 -0.06 0.00 0.51 0.00 0.00 43.02 41.99 1vdm s PHE 60 CO 0.04 -0.28 -0.11 0.71 0.70 0.00 0.00 175.22 176.28 1vdm s TYR 61 N 0.18 2.30 0.24 0.36 4.12 -1.19 -4.99 117.35 118.38 1vdm s TYR 61 Ca -0.10 -0.51 0.05 0.00 0.02 0.00 0.00 57.07 56.53 1vdm s TYR 61 Cb -0.15 -1.27 0.26 0.00 -1.52 0.00 0.00 41.96 39.28 1vdm s TYR 61 CO 0.05 0.55 1.57 0.87 0.02 0.00 0.00 175.55 178.61 1vdm h LYS 62 N 2.11 0.24 0.00 -0.62 1.79 -1.89 -2.24 116.57 115.95 1vdm h LYS 62 Ca -0.41 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 1vdm h LYS 62 Cb 1.25 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1vdm h LYS 62 CO 0.68 0.76 0.00 0.41 -1.08 0.00 0.00 179.45 180.22 1vdm n GLY 63 N 0.24 0.22 0.23 3.86 0.00 -1.26 -3.53 105.19 104.94 1vdm n GLY 63 Ca -0.02 -0.95 0.15 0.00 0.00 0.00 0.00 46.02 45.19 1vdm n GLY 63 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vdm n ILE 64 N 0.00 0.00 -4.13 -0.61 -5.35 -1.26 -4.80 119.36 103.21 1vdm n ILE 64 Ca 0.00 -0.12 -0.34 0.00 -0.27 0.00 0.00 62.75 62.02 1vdm n ILE 64 Cb 0.00 0.02 -0.07 0.00 -1.74 0.00 0.00 39.64 37.84 1vdm n ILE 64 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1vdm s ASP 65 N -2.09 5.65 -0.10 7.28 1.01 -1.23 -5.04 116.67 122.15 1vdm s ASP 65 Ca 0.40 0.17 -0.13 0.00 0.71 0.00 0.00 52.55 53.69 1vdm s ASP 65 Cb 0.21 -1.63 -0.11 0.00 1.01 0.00 0.00 42.92 42.40 1vdm s ASP 65 CO 0.38 0.30 0.44 1.05 0.21 0.00 0.00 175.17 177.55 1vdm h GLU 66 N 4.34 -0.09 -5.20 8.23 9.09 -1.87 -3.39 114.58 125.69 1vdm h GLU 66 Ca -0.50 0.01 -0.71 0.00 0.05 0.00 0.00 59.36 58.20 1vdm h GLU 66 Cb 1.19 0.02 -0.14 0.00 -1.65 0.00 0.00 28.75 28.17 1vdm h GLU 66 CO 0.61 0.29 1.69 1.03 0.05 0.00 0.00 179.01 182.67 1vdm s ARG 67 N -2.27 4.05 0.00 1.06 0.52 -1.26 -4.88 118.95 116.17 1vdm s ARG 67 Ca -0.08 -2.34 0.00 0.00 -0.52 0.00 0.00 55.73 52.79 1vdm s ARG 67 Cb -0.01 -5.25 0.00 0.00 0.52 0.00 0.00 34.95 30.21 1vdm s ARG 67 CO 0.30 -1.97 0.00 0.41 0.02 0.00 0.00 175.30 174.07 1vdm n GLY 68 N 4.64 3.07 2.78 -3.53 0.00 -1.26 -5.15 105.19 105.73 1vdm n GLY 68 Ca 0.41 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 1vdm n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vdm s GLU 69 N -2.00 -0.03 -0.15 1.61 2.12 -1.26 -4.57 118.70 114.43 1vdm s GLU 69 Ca 0.00 0.25 -0.04 0.00 0.36 0.00 0.00 54.97 55.55 1vdm s GLU 69 Cb 0.00 -0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.08 1vdm s GLU 69 CO 0.00 -0.20 -0.02 0.15 -0.54 0.00 0.00 175.26 174.65 1vdm s LYS 70 N 1.29 3.58 0.15 4.30 1.02 -0.84 -4.91 119.74 124.33 1vdm s LYS 70 Ca -0.07 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 1vdm s LYS 70 Cb -0.13 -2.92 -0.07 0.00 -0.52 0.00 0.00 37.83 34.19 1vdm s LYS 70 CO -0.03 0.32 1.21 -1.25 -0.92 0.00 0.00 175.35 174.68 1vdm s PRO 71 N 0.15 4.46 -0.21 -1.68 0.04 -1.26 -3.16 135.00 133.34 1vdm s PRO 71 Ca -0.00 1.86 0.01 0.00 0.04 0.00 0.00 61.00 62.91 1vdm s PRO 71 Cb -0.13 -3.27 0.05 0.00 0.04 0.00 0.00 34.50 31.18 1vdm s PRO 71 CO 0.02 -0.16 -0.11 0.08 0.04 0.00 0.00 177.00 176.88 1vdm s VAL 72 N 0.32 1.80 -0.70 -0.36 1.01 0.51 -4.96 120.40 118.01 1vdm s VAL 72 Ca 0.55 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 1vdm s VAL 72 Cb -0.32 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1vdm s VAL 72 CO 0.34 0.13 1.47 -0.63 0.00 0.00 0.00 175.10 176.41 1vdm s ILE 73 N 1.32 3.61 0.05 2.22 1.01 -1.26 -1.47 121.20 126.66 1vdm s ILE 73 Ca -0.03 0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.64 1vdm s ILE 73 Cb -0.17 -4.61 -0.18 0.00 0.01 0.00 0.00 42.46 37.51 1vdm s ILE 73 CO -0.08 -1.56 1.46 0.74 0.00 0.00 0.00 174.94 175.51 1vdm h THR 74 N 6.31 0.32 -3.67 2.92 2.02 -1.25 -3.41 112.91 116.16 1vdm h THR 74 Ca -0.27 -0.16 -0.67 0.00 0.77 0.00 0.00 66.41 66.08 1vdm h THR 74 Cb 1.08 0.37 -0.34 0.00 -1.74 0.00 0.00 68.15 67.52 1vdm h THR 74 CO 1.26 0.02 -0.77 -0.63 0.37 0.00 0.00 175.52 175.77 1vdm s ILE 75 N -5.57 2.55 0.70 3.11 1.01 -1.17 -4.94 121.20 116.89 1vdm s ILE 75 Ca -0.17 -1.34 -0.06 0.00 0.00 0.00 0.00 60.65 59.08 1vdm s ILE 75 Cb 0.03 -2.40 0.06 0.00 0.01 0.00 0.00 42.46 40.17 1vdm s ILE 75 CO 0.57 0.07 1.01 -2.16 0.00 0.00 0.00 174.94 174.43 1vdm s PRO 76 N 1.22 2.17 0.07 2.79 0.04 -1.26 -0.50 135.00 139.53 1vdm s PRO 76 Ca -0.04 -0.29 0.10 0.00 0.04 0.00 0.00 61.00 60.81 1vdm s PRO 76 Cb -0.18 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 1vdm s PRO 76 CO -0.05 -1.25 -0.27 0.96 0.04 0.00 0.00 177.00 176.44 1vdm s ILE 77 N -3.24 2.17 0.23 0.56 -4.36 -1.26 -4.71 121.20 110.60 1vdm s ILE 77 Ca 0.60 -1.51 0.02 0.00 -0.26 0.00 0.00 60.65 59.50 1vdm s ILE 77 Cb -0.11 -1.88 -0.01 0.00 1.25 0.00 0.00 42.46 41.72 1vdm s ILE 77 CO 0.45 0.28 0.07 1.41 0.24 0.00 0.00 174.94 177.38 1vdm n HIS 78 N 1.50 0.16 -0.31 1.37 8.25 -1.26 -5.10 115.22 119.83 1vdm n HIS 78 Ca -0.17 -1.42 0.04 0.00 -0.26 0.00 0.00 57.72 55.90 1vdm n HIS 78 Cb 0.52 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 1vdm n HIS 78 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vdm n GLY 79 N 0.79 -2.70 3.91 -1.41 0.00 -1.26 -4.95 105.19 99.57 1vdm n GLY 79 Ca -0.04 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.79 6.10 -0.37 1.61 3.84 -1.26 -4.88 116.67 116.91 1vdm s ASP 80 Ca 0.00 0.04 0.06 0.00 -0.00 0.00 0.00 52.55 52.64 1vdm s ASP 80 Cb 0.00 -1.75 0.44 0.00 -1.38 0.00 0.00 42.92 40.23 1vdm s ASP 80 CO 0.00 0.00 1.22 0.18 -0.00 0.00 0.00 175.17 176.58 1vdm n LEU 81 N -0.87 5.05 -4.73 2.11 4.77 0.16 -5.02 117.00 118.48 1vdm n LEU 81 Ca -0.08 -4.87 -0.42 0.00 -0.03 0.00 0.00 56.01 50.61 1vdm n LEU 81 Cb 0.56 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1vdm n LEU 81 CO 0.46 2.11 1.05 -0.75 -1.33 0.00 0.00 177.39 178.93 1vdm s LYS 82 N -3.60 4.33 -1.30 3.23 2.47 -1.19 -2.50 119.74 121.17 1vdm s LYS 82 Ca 0.51 2.14 0.00 0.00 -1.56 0.00 0.00 55.97 57.05 1vdm s LYS 82 Cb 0.41 -3.19 0.00 0.00 -1.46 0.00 0.00 37.83 33.59 1vdm s LYS 82 CO -0.04 -0.37 0.00 -0.25 0.16 0.00 0.00 175.35 174.84 1vdm n ASP 83 N 3.10 -5.66 -4.56 1.43 10.43 -1.26 -4.85 116.55 115.18 1vdm n ASP 83 Ca 0.09 0.30 -0.35 0.00 2.57 0.00 0.00 54.79 57.40 1vdm n ASP 83 Cb 0.42 -4.24 -0.11 0.00 1.84 0.00 0.00 41.12 39.03 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 -3.02 3.84 -0.12 -1.24 1.02 -1.04 -4.86 119.74 114.32 1vdm s LYS 84 Ca 0.00 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.29 1vdm s LYS 84 Cb 0.00 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 1vdm s LYS 84 CO 0.00 0.16 1.43 1.03 -0.92 0.00 0.00 175.35 177.05 1vdm s ARG 85 N 0.66 4.21 0.02 1.68 1.81 -1.26 -2.83 118.95 123.24 1vdm s ARG 85 Ca 0.02 1.88 0.03 0.00 -1.72 0.00 0.00 55.73 55.94 1vdm s ARG 85 Cb -0.13 -3.86 -0.04 0.00 -0.45 0.00 0.00 34.95 30.47 1vdm s ARG 85 CO 0.02 -0.77 -0.01 0.08 -0.68 0.00 0.00 175.30 173.94 1vdm s VAL 86 N 3.73 4.05 -0.08 3.52 1.01 0.44 -1.05 120.40 132.01 1vdm s VAL 86 Ca 0.63 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1vdm s VAL 86 Cb -0.27 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.32 1vdm s VAL 86 CO 0.21 0.31 0.02 0.54 0.00 0.00 0.00 175.10 176.19 1vdm s VAL 87 N -1.13 0.24 -0.17 2.92 0.11 -1.10 -0.83 120.40 120.44 1vdm s VAL 87 Ca 0.21 0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 59.21 1vdm s VAL 87 Cb -0.11 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1vdm s VAL 87 CO 0.12 0.16 0.41 -0.63 -3.33 0.00 0.00 175.10 171.83 1vdm s ILE 88 N 2.02 5.21 -0.14 7.04 1.01 -0.48 -1.97 121.20 133.89 1vdm s ILE 88 Ca 0.04 0.76 -0.01 0.00 0.00 0.00 0.00 60.65 61.44 1vdm s ILE 88 Cb -0.13 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1vdm s ILE 88 CO -0.05 0.30 -0.10 -0.69 0.00 0.00 0.00 174.94 174.39 1vdm s VAL 89 N 0.94 3.26 0.07 2.92 1.01 0.09 -0.71 120.40 127.99 1vdm s VAL 89 Ca 0.21 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 1vdm s VAL 89 Cb -0.14 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1vdm s VAL 89 CO 0.08 0.51 0.13 -0.62 0.00 0.00 0.00 175.10 175.19 1vdm s ASP 90 N 0.46 0.22 0.07 3.32 2.15 -0.82 -1.31 116.67 120.75 1vdm s ASP 90 Ca -0.08 -0.73 -0.15 0.00 0.43 0.00 0.00 52.55 52.02 1vdm s ASP 90 Cb -0.15 0.29 -0.18 0.00 -0.30 0.00 0.00 42.92 42.58 1vdm s ASP 90 CO 0.04 -0.68 1.25 -2.24 -0.17 0.00 0.00 175.17 173.37 1vdm h ASP 91 N 2.93 0.80 -4.48 -0.34 2.03 -1.84 -3.15 116.42 112.36 1vdm h ASP 91 Ca -0.34 -0.66 -0.06 0.00 -0.73 0.00 0.00 57.03 55.24 1vdm h ASP 91 Cb 1.18 -0.24 -0.20 0.00 -0.83 0.00 0.00 39.33 39.24 1vdm h ASP 91 CO 0.58 1.33 0.09 0.54 -1.03 0.00 0.00 179.24 180.76 1vdm s VAL 92 N -3.63 0.00 -0.70 4.15 0.11 -1.26 -1.49 120.40 117.59 1vdm s VAL 92 Ca -0.11 -0.03 -0.16 0.00 -2.93 0.00 0.00 61.98 58.74 1vdm s VAL 92 Cb 0.07 -0.94 0.16 0.00 -1.53 0.00 0.00 36.38 34.14 1vdm s VAL 92 CO 0.87 -0.02 0.69 -0.55 -3.33 0.00 0.00 175.10 172.77 1vdm s SER 93 N -0.42 6.45 0.00 3.54 0.15 -0.28 -4.93 113.70 118.21 1vdm s SER 93 Ca -0.06 -2.11 0.00 0.00 0.70 0.00 0.00 55.95 54.48 1vdm s SER 93 Cb -0.03 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1vdm s SER 93 CO 0.05 -0.81 0.00 -0.67 1.20 0.00 0.00 173.24 173.01 1vdm n ASP 94 N 5.03 0.00 0.00 5.45 4.64 -1.26 -1.21 116.55 129.21 1vdm n ASP 94 Ca 0.01 0.22 0.11 0.00 -1.38 0.00 0.00 54.79 53.75 1vdm n ASP 94 Cb 0.44 -0.26 -0.15 0.00 -1.04 0.00 0.00 41.12 40.11 1vdm n ASP 94 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1vdm n THR 95 N -1.41 0.07 -0.59 5.18 -2.24 -1.26 -2.88 114.28 111.15 1vdm n THR 95 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1vdm n THR 95 Cb 0.00 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.26 0.74 0.48 3.38 0.00 -1.26 -1.26 105.19 108.53 1vdm n GLY 96 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 2.93 -1.02 -0.50 1.61 3.64 -1.98 -1.80 116.57 119.45 1vdm h LYS 97 Ca 0.00 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1vdm h LYS 97 Cb 0.00 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1vdm h LYS 97 CO 0.00 -0.68 0.26 1.15 -2.27 0.00 0.00 179.45 177.91 1vdm h THR 98 N -1.06 1.18 -0.74 1.00 2.02 -1.98 -3.01 112.91 110.32 1vdm h THR 98 Ca -0.08 -0.48 0.05 0.00 0.77 0.00 0.00 66.41 66.67 1vdm h THR 98 Cb 0.87 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1vdm h THR 98 CO 0.05 0.20 0.44 -0.07 0.37 0.00 0.00 175.52 176.51 1vdm h LEU 99 N 0.67 0.70 -1.00 2.58 3.38 -1.96 -1.63 115.31 118.05 1vdm h LEU 99 Ca 0.18 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1vdm h LEU 99 Cb 0.08 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1vdm h LEU 99 CO -0.03 0.46 0.56 -0.33 0.09 0.00 0.00 178.44 179.19 1vdm h GLU 100 N 0.83 1.25 -0.70 1.13 5.08 -1.20 0.11 114.58 121.08 1vdm h GLU 100 Ca 0.32 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1vdm h GLU 100 Cb 0.13 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1vdm h GLU 100 CO -0.16 0.87 0.24 0.28 -1.00 0.00 0.00 179.01 179.24 1vdm h VAL 101 N 1.27 1.25 -0.20 3.13 2.07 -1.34 -2.71 116.25 119.73 1vdm h VAL 101 Ca 0.33 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 1vdm h VAL 101 Cb -0.06 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1vdm h VAL 101 CO -0.06 0.33 -0.38 0.58 0.02 0.00 0.00 177.57 178.06 1vdm h VAL 102 N 1.02 1.30 0.00 2.57 2.07 -0.50 -2.60 116.25 120.11 1vdm h VAL 102 Ca 0.23 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1vdm h VAL 102 Cb 0.27 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1vdm h VAL 102 CO -0.01 0.46 -0.09 0.40 0.02 0.00 0.00 177.57 178.35 1vdm h ILE 103 N 0.37 0.27 0.00 4.57 2.04 -0.58 -2.07 117.51 122.12 1vdm h ILE 103 Ca 0.04 -0.67 -0.19 0.00 1.00 0.00 0.00 64.86 65.03 1vdm h ILE 103 Cb 0.83 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 1vdm h ILE 103 CO 0.07 0.09 -1.07 -0.33 0.00 0.00 0.00 178.15 176.91 1vdm h GLU 104 N 0.00 0.00 0.00 2.37 4.39 -1.17 -2.82 114.58 117.35 1vdm h GLU 104 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1vdm h GLU 104 Cb 0.52 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1vdm h GLU 104 CO 0.01 0.69 -0.62 0.93 -1.16 0.00 0.00 179.01 178.86 1vdm h GLU 105 N 0.00 0.00 0.00 2.33 4.39 -1.18 -2.61 114.58 117.50 1vdm h GLU 105 Ca -0.08 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 1vdm h GLU 105 Cb 1.70 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.33 1vdm h GLU 105 CO 0.09 0.62 -0.77 0.28 -1.16 0.00 0.00 179.01 178.08 1vdm h VAL 106 N 0.00 1.41 0.11 3.13 2.07 -1.42 -3.18 116.25 118.37 1vdm h VAL 106 Ca -0.01 -2.76 -0.27 0.00 0.82 0.00 0.00 66.70 64.48 1vdm h VAL 106 Cb 1.45 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 33.77 1vdm h VAL 106 CO 0.08 0.75 -1.26 0.11 0.02 0.00 0.00 177.57 177.28 1vdm h LYS 107 N 0.00 0.22 0.00 1.57 1.57 -1.50 -2.42 116.57 116.02 1vdm h LYS 107 Ca -0.01 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1vdm h LYS 107 Cb 1.49 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.94 1vdm h LYS 107 CO 0.10 1.16 -0.00 0.87 -0.57 0.00 0.00 179.45 181.01 1vdm h LYS 108 N 0.06 0.00 -0.32 3.15 1.57 -1.48 0.76 116.57 120.31 1vdm h LYS 108 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1vdm h LYS 108 Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1vdm h LYS 108 CO 0.19 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.35 1vdm n LEU 109 N -3.12 2.91 -0.17 2.94 4.77 -1.20 -4.96 117.00 118.16 1vdm n LEU 109 Ca -0.02 -1.24 -0.01 0.00 -0.03 0.00 0.00 56.01 54.71 1vdm n LEU 109 Cb 0.13 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1vdm n LEU 109 CO 0.22 0.62 -0.01 0.61 -1.33 0.00 0.00 177.39 177.50 1vdm n GLY 110 N 1.39 0.36 3.66 -0.72 0.00 0.26 0.40 105.19 110.54 1vdm n GLY 110 Ca 0.18 -0.83 -0.50 0.00 0.00 0.00 0.00 46.02 44.87 1vdm n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vdm n ALA 111 N -1.17 0.29 -1.00 4.61 0.00 -0.91 -3.20 120.51 119.13 1vdm n ALA 111 Ca -0.01 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1vdm n ALA 111 Cb 0.51 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1vdm n ALA 111 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1vdm n LYS 112 N 4.18 0.00 -4.27 0.00 4.81 -1.08 -4.84 118.16 116.96 1vdm n LYS 112 Ca 0.20 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.35 1vdm n LYS 112 Cb 0.23 -0.93 -0.10 0.00 0.02 0.00 0.00 35.03 34.25 1vdm n LYS 112 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1vdm s GLU 113 N -0.86 1.98 -0.05 1.64 2.12 -1.24 -4.98 118.70 117.31 1vdm s GLU 113 Ca 0.00 -1.14 0.01 0.00 0.36 0.00 0.00 54.97 54.20 1vdm s GLU 113 Cb 0.00 -2.20 0.02 0.00 0.26 0.00 0.00 34.13 32.21 1vdm s GLU 113 CO 0.00 0.48 -0.04 0.42 -0.54 0.00 0.00 175.26 175.58 1vdm s ILE 114 N -1.30 0.53 0.20 -3.70 1.01 -1.26 -0.42 121.20 116.26 1vdm s ILE 114 Ca 0.21 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.83 1vdm s ILE 114 Cb -0.10 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.76 1vdm s ILE 114 CO 0.13 0.23 -0.17 -0.75 0.00 0.00 0.00 174.94 174.37 1vdm s LYS 115 N 0.95 1.36 -0.07 2.79 2.47 -0.01 -4.99 119.74 122.25 1vdm s LYS 115 Ca -0.11 -1.54 0.01 0.00 -1.56 0.00 0.00 55.97 52.77 1vdm s LYS 115 Cb -0.14 -1.31 0.02 0.00 -1.46 0.00 0.00 37.83 34.94 1vdm s LYS 115 CO -0.00 0.24 -0.08 0.42 0.16 0.00 0.00 175.35 176.09 1vdm s ILE 116 N -2.52 0.90 -0.06 5.43 1.01 -1.26 -1.38 121.20 123.32 1vdm s ILE 116 Ca 0.21 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.61 1vdm s ILE 116 Cb -0.03 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1vdm s ILE 116 CO 0.08 0.32 -0.23 0.00 0.00 0.00 0.00 174.94 175.11 1vdm s ALA 117 N 1.03 1.99 0.04 9.38 0.00 0.11 -0.34 121.76 133.98 1vdm s ALA 117 Ca -0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 1vdm s ALA 117 Cb -0.15 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1vdm s ALA 117 CO -0.00 0.37 0.02 0.00 0.00 0.00 0.00 175.76 176.15 1vdm h LEU 119 N 3.55 0.77 -8.19 0.00 3.38 -1.21 -3.27 115.31 110.34 1vdm h LEU 119 Ca -0.33 -0.59 -0.12 0.00 0.09 0.00 0.00 57.88 56.93 1vdm h LEU 119 Cb 1.17 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 1vdm h LEU 119 CO 0.56 1.23 -0.34 0.00 0.09 0.00 0.00 178.44 179.98 1vdm s ALA 120 N -3.89 0.15 0.05 1.53 0.00 -0.65 -0.36 121.76 118.58 1vdm s ALA 120 Ca -0.12 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.76 1vdm s ALA 120 Cb 0.07 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 1vdm s ALA 120 CO 0.85 -0.66 0.14 0.00 0.00 0.00 0.00 175.76 176.09 1vdm s MET 121 N -4.00 0.66 -0.10 0.00 0.23 0.68 -1.12 119.30 115.64 1vdm s MET 121 Ca 0.21 -0.75 -0.00 0.00 -1.03 0.00 0.00 55.69 54.12 1vdm s MET 121 Cb 0.03 0.27 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 1vdm s MET 121 CO 0.03 -0.18 -0.07 0.15 -2.03 0.00 0.00 175.02 172.91 1vdm s LYS 122 N -2.80 3.10 0.26 3.16 1.02 -0.35 -2.76 119.74 121.37 1vdm s LYS 122 Ca -0.03 -0.57 0.15 0.00 0.02 0.00 0.00 55.97 55.54 1vdm s LYS 122 Cb 0.00 -2.68 0.96 0.00 -0.52 0.00 0.00 37.83 35.59 1vdm s LYS 122 CO -0.05 0.47 1.13 -2.30 -0.92 0.00 0.00 175.35 173.67 1vdm n PRO 123 N 2.81 -0.04 0.05 -1.68 -0.02 -1.26 -1.36 135.00 133.50 1vdm n PRO 123 Ca -0.18 0.99 0.12 0.00 -2.02 0.00 0.00 63.50 62.41 1vdm n PRO 123 Cb 0.53 -1.77 0.27 0.00 -0.02 0.00 0.00 33.50 32.51 1vdm n PRO 123 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1vdm n TRP 124 N -4.62 0.42 -1.31 6.00 2.14 -1.26 -4.97 117.44 113.84 1vdm n TRP 124 Ca 0.27 0.12 -0.42 0.00 2.07 0.00 0.00 57.50 59.54 1vdm n TRP 124 Cb 0.92 -0.59 -0.00 0.00 -0.81 0.00 0.00 31.31 30.82 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 -1.93 0.77 1.33 -1.67 5.66 -0.46 -4.86 114.28 113.12 1vdm n THR 125 Ca 0.04 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.68 1vdm n THR 125 Cb 0.40 -0.05 0.41 0.00 -1.55 0.00 0.00 70.33 69.54 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 2.23 1.90 -3.50 1.09 3.41 -0.39 -4.59 113.62 113.77 1vdm n SER 126 Ca 0.11 -1.64 -0.29 0.00 -0.26 0.00 0.00 58.87 56.79 1vdm n SER 126 Cb 0.40 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.96 0.28 0.11 -3.33 1.01 -1.26 -4.99 120.40 110.26 1vdm s VAL 127 Ca 0.35 -1.71 -0.31 0.00 0.00 0.00 0.00 61.98 60.32 1vdm s VAL 127 Cb 0.20 -1.21 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 1vdm s VAL 127 CO 0.32 -0.95 1.30 -0.69 0.00 0.00 0.00 175.10 175.09 1vdm s VAL 128 N 1.10 3.54 0.43 2.92 1.01 -1.26 -4.88 120.40 123.26 1vdm s VAL 128 Ca 0.17 1.14 -0.24 0.00 0.00 0.00 0.00 61.98 63.05 1vdm s VAL 128 Cb -0.22 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 1vdm s VAL 128 CO -0.03 0.11 1.15 -2.84 0.00 0.00 0.00 175.10 173.49 1vdm s PRO 129 N 0.83 3.94 0.40 2.72 0.02 -1.26 -4.91 135.00 136.73 1vdm s PRO 129 Ca 0.61 1.76 0.18 0.00 0.02 0.00 0.00 61.00 63.58 1vdm s PRO 129 Cb -0.34 -2.53 0.83 0.00 0.02 0.00 0.00 34.50 32.48 1vdm s PRO 129 CO 0.31 -0.40 1.82 -0.44 -0.33 0.00 0.00 177.00 177.97 1vdm h ASP 130 N 2.35 0.00 -3.39 2.53 5.19 -1.06 -3.42 116.42 118.61 1vdm h ASP 130 Ca -0.49 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 55.64 1vdm h ASP 130 Cb 1.24 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 40.41 1vdm h ASP 130 CO 0.61 0.33 -0.66 -0.31 -3.12 0.00 0.00 179.24 176.09 1vdm s TYR 131 N -3.90 -0.07 0.20 4.55 1.51 -0.64 -4.99 117.35 114.01 1vdm s TYR 131 Ca -0.01 0.36 -0.18 0.00 -1.01 0.00 0.00 57.07 56.22 1vdm s TYR 131 Cb 0.12 -0.21 0.03 0.00 -0.11 0.00 0.00 41.96 41.80 1vdm s TYR 131 CO 0.68 -0.16 0.55 1.52 -1.11 0.00 0.00 175.55 177.03 1vdm s TYR 132 N 1.43 -0.17 -0.07 2.71 -0.85 -1.25 -0.97 117.35 118.17 1vdm s TYR 132 Ca -0.06 -0.17 -0.01 0.00 -0.52 0.00 0.00 57.07 56.31 1vdm s TYR 132 Cb -0.12 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 1vdm s TYR 132 CO -0.05 -0.94 -0.07 0.28 -1.52 0.00 0.00 175.55 173.25 1vdm n VAL 133 N -0.36 0.40 -4.36 -3.49 0.31 -0.32 -4.99 118.33 105.53 1vdm n VAL 133 Ca -0.10 -0.14 -0.35 0.00 -0.01 0.00 0.00 64.34 63.74 1vdm n VAL 133 Cb 0.62 -1.06 -0.09 0.00 -0.91 0.00 0.00 33.84 32.40 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 -2.14 3.17 -0.10 3.52 0.40 0.51 -4.98 117.98 118.36 1vdm s PHE 134 Ca -0.10 0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.44 1vdm s PHE 134 Cb 0.03 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.78 1vdm s PHE 134 CO 0.15 0.46 -0.14 0.50 0.70 0.00 0.00 175.22 176.89 1vdm s ARG 135 N -0.85 2.08 0.18 0.44 3.52 -1.26 -0.23 118.95 122.83 1vdm s ARG 135 Ca 0.13 -0.51 -0.22 0.00 -0.13 0.00 0.00 55.73 55.00 1vdm s ARG 135 Cb -0.11 -1.80 0.06 0.00 -1.56 0.00 0.00 34.95 31.53 1vdm s ARG 135 CO 0.02 -0.08 0.60 -0.08 -0.81 0.00 0.00 175.30 174.96 1vdm s THR 136 N 1.03 0.01 -0.32 4.11 -1.32 -1.11 -5.00 115.64 113.02 1vdm s THR 136 Ca -0.06 -0.23 0.12 0.00 -1.21 0.00 0.00 61.69 60.31 1vdm s THR 136 Cb -0.15 -1.19 -0.16 0.00 -1.51 0.00 0.00 72.50 69.49 1vdm s THR 136 CO -0.02 -0.02 0.41 -0.62 -2.21 0.00 0.00 174.62 172.15 1vdm n GLU 137 N -0.38 1.81 -1.56 7.08 1.02 -1.26 -4.24 120.64 123.11 1vdm n GLU 137 Ca -0.15 -0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.65 1vdm n GLU 137 Cb 0.64 -1.17 0.13 0.00 -0.02 0.00 0.00 31.44 31.02 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 -2.47 1.24 0.03 3.49 1.02 -1.26 -5.01 119.74 116.78 1vdm s LYS 138 Ca 0.00 0.30 -0.26 0.00 0.02 0.00 0.00 55.97 56.03 1vdm s LYS 138 Cb 0.09 -1.85 -0.05 0.00 -0.52 0.00 0.00 37.83 35.50 1vdm s LYS 138 CO 0.51 -2.13 0.83 -0.46 -0.92 0.00 0.00 175.35 173.18 1vdm s TRP 139 N -3.29 3.72 -0.24 3.18 -0.11 -1.26 -4.87 118.94 116.07 1vdm s TRP 139 Ca 0.63 1.54 -0.11 0.00 1.22 0.00 0.00 56.10 59.38 1vdm s TRP 139 Cb -0.15 -2.91 -0.05 0.00 -1.50 0.00 0.00 33.47 28.87 1vdm s TRP 139 CO 0.53 0.19 0.20 0.42 -4.62 0.00 0.00 176.95 173.67 1vdm s ILE 140 N 0.24 5.33 -0.39 5.86 1.01 -1.26 -0.44 121.20 131.55 1vdm s ILE 140 Ca 0.42 0.25 -0.14 0.00 0.00 0.00 0.00 60.65 61.18 1vdm s ILE 140 Cb -0.21 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1vdm s ILE 140 CO 0.24 0.32 0.27 -0.69 0.00 0.00 0.00 174.94 175.08 1vdm s VAL 141 N 1.21 5.15 0.73 2.92 1.01 0.17 -4.93 120.40 126.65 1vdm s VAL 141 Ca 0.09 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1vdm s VAL 141 Cb -0.14 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1vdm s VAL 141 CO 0.06 -0.23 1.08 -0.36 0.00 0.00 0.00 175.10 175.64 1vdm s PHE 142 N 1.67 3.04 0.59 5.22 0.40 -1.26 -2.21 117.98 125.43 1vdm s PHE 142 Ca 0.05 1.28 0.30 0.00 -0.60 0.00 0.00 56.93 57.96 1vdm s PHE 142 Cb -0.19 -2.98 1.80 0.00 0.51 0.00 0.00 43.02 42.16 1vdm s PHE 142 CO 0.10 -1.42 2.22 -1.35 0.70 0.00 0.00 175.22 175.47 1vdm h PRO 143 N -0.84 0.00 -0.65 0.24 0.11 -1.83 -1.85 132.00 127.18 1vdm h PRO 143 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1vdm h PRO 143 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1vdm h PRO 143 CO 0.58 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.70 1vdm n TRP 144 N -3.81 0.88 -4.18 0.65 2.14 -1.26 -4.95 117.44 106.91 1vdm n TRP 144 Ca -0.02 -0.43 -0.33 0.00 2.07 0.00 0.00 57.50 58.79 1vdm n TRP 144 Cb 0.14 -0.01 -0.08 0.00 -0.81 0.00 0.00 31.31 30.55 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 -1.16 2.94 0.55 -2.67 2.02 -0.70 -5.12 118.70 114.56 1vdm s GLU 145 Ca 0.43 -0.55 -0.06 0.00 0.02 0.00 0.00 54.97 54.81 1vdm s GLU 145 Cb 0.23 -2.77 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 1vdm s GLU 145 CO 0.29 0.64 0.87 -1.21 0.02 0.00 0.00 175.26 175.87 1vdm s GLU 146 N -1.67 3.24 -0.00 1.61 8.01 -1.26 -4.86 118.70 123.76 1vdm s GLU 146 Ca 0.21 0.17 -0.02 0.00 0.01 0.00 0.00 54.97 55.35 1vdm s GLU 146 Cb -0.12 -2.29 -0.04 0.00 -4.31 0.00 0.00 34.13 27.38 1vdm s GLU 146 CO 0.12 -0.49 0.16 -0.06 0.01 0.00 0.00 175.26 175.00 1vdm s PHE 147 N -2.92 3.47 0.42 1.61 0.08 -1.26 -5.07 117.98 114.31 1vdm s PHE 147 Ca 0.51 0.31 -0.20 0.00 0.12 0.00 0.00 56.93 57.67 1vdm s PHE 147 Cb -0.10 -1.80 -0.11 0.00 -0.57 0.00 0.00 43.02 40.44 1vdm s PHE 147 CO 0.46 0.62 0.92 -2.14 -0.10 0.00 0.00 175.22 174.98 1vdm s PRO 148 N -1.94 4.19 -0.11 0.24 0.02 -1.26 -5.06 135.00 131.08 1vdm s PRO 148 Ca 0.27 1.05 -0.06 0.00 0.02 0.00 0.00 61.00 62.28 1vdm s PRO 148 Cb -0.12 -2.21 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 1vdm s PRO 148 CO 0.18 -0.01 0.10 0.08 -0.33 0.00 0.00 177.00 177.02 1vdm s VAL 149 N -2.17 5.18 -0.29 3.83 1.01 -1.26 -5.08 120.40 121.63 1vdm s VAL 149 Ca 0.61 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.55 1vdm s VAL 149 Cb -0.09 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1vdm s VAL 149 CO 0.14 0.61 0.22 -0.63 0.00 0.00 0.00 175.10 175.44 1vdm s ILE 150 N -0.92 5.29 0.09 2.22 1.01 -1.26 -5.08 121.20 122.55 1vdm s ILE 150 Ca 0.14 0.19 0.07 0.00 0.00 0.00 0.00 60.65 61.04 1vdm s ILE 150 Cb -0.12 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1vdm s ILE 150 CO 0.03 0.20 -0.10 -1.61 0.00 0.00 0.00 174.94 173.47 1vdm s GLU 151 N 1.81 2.17 0.00 2.79 2.02 -1.26 -5.36 118.70 120.87 1vdm s GLU 151 Ca 0.08 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.08 1vdm s GLU 151 Cb -0.16 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1vdm s GLU 151 CO 0.11 0.52 0.50 1.63 0.02 0.00 0.00 175.26 178.03