#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 0.00 -3.77 7.83 5.19 -2.05 -3.46 116.42 120.17 1vdm h ASP 2 Ca 0.00 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.04 1vdm h ASP 2 Cb 0.00 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.36 1vdm h ASP 2 CO 0.00 0.54 -0.72 -0.54 -3.12 0.00 0.00 179.24 175.40 1vdm s LYS 3 N -3.51 1.13 -0.23 3.56 1.02 -1.26 -3.71 119.74 116.74 1vdm s LYS 3 Ca -0.00 -1.46 -0.07 0.00 0.02 0.00 0.00 55.97 54.46 1vdm s LYS 3 Cb 0.11 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.61 1vdm s LYS 3 CO 0.74 0.12 0.04 0.08 -0.92 0.00 0.00 175.35 175.41 1vdm s VAL 4 N -3.09 4.18 -0.64 3.17 1.01 0.18 -4.97 120.40 120.24 1vdm s VAL 4 Ca 0.17 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 1vdm s VAL 4 Cb 0.01 -2.93 0.17 0.00 0.00 0.00 0.00 36.38 33.62 1vdm s VAL 4 CO 0.03 0.37 0.51 -0.31 0.00 0.00 0.00 175.10 175.70 1vdm s TYR 5 N 1.40 3.52 -0.03 5.22 1.51 -1.26 -0.59 117.35 127.12 1vdm s TYR 5 Ca 0.05 -2.24 -0.30 0.00 -1.01 0.00 0.00 57.07 53.57 1vdm s TYR 5 Cb -0.15 -3.48 -0.04 0.00 -0.11 0.00 0.00 41.96 38.18 1vdm s TYR 5 CO 0.02 -0.93 1.31 -0.51 -1.11 0.00 0.00 175.55 174.34 1vdm s LEU 6 N 0.43 4.29 0.53 -1.29 1.43 -0.89 -5.01 118.68 118.17 1vdm s LEU 6 Ca 0.14 1.96 -0.17 0.00 -1.03 0.00 0.00 54.13 55.03 1vdm s LEU 6 Cb -0.19 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 1vdm s LEU 6 CO -0.04 -0.67 1.02 0.42 0.23 0.00 0.00 176.35 177.31 1vdm s THR 7 N 2.43 4.11 0.26 5.49 -4.23 -1.26 -3.27 115.64 119.16 1vdm s THR 7 Ca 0.60 1.09 -0.04 0.00 -1.18 0.00 0.00 61.69 62.16 1vdm s THR 7 Cb -0.28 -3.53 0.28 0.00 1.34 0.00 0.00 72.50 70.31 1vdm s THR 7 CO 0.24 -0.50 1.65 -0.50 -0.54 0.00 0.00 174.62 174.97 1vdm h TRP 8 N 0.95 0.14 0.23 3.99 4.06 -1.96 -1.45 115.95 121.91 1vdm h TRP 8 Ca -0.48 0.05 -0.01 0.00 2.06 0.00 0.00 58.89 60.52 1vdm h TRP 8 Cb 1.20 0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 29.42 1vdm h TRP 8 CO 0.60 -0.20 -0.14 2.35 -3.56 0.00 0.00 178.44 177.49 1vdm h TRP 9 N 0.17 -0.37 -0.87 0.49 7.01 -1.98 0.29 115.95 120.70 1vdm h TRP 9 Ca 0.45 -0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.61 1vdm h TRP 9 Cb 0.84 0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 27.96 1vdm h TRP 9 CO -0.34 -0.22 0.56 1.96 -2.79 0.00 0.00 178.44 177.61 1vdm h GLN 10 N -0.36 0.54 -0.01 2.65 4.20 -1.67 0.32 115.11 120.78 1vdm h GLN 10 Ca -0.02 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.41 1vdm h GLN 10 Cb 0.30 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1vdm h GLN 10 CO 0.02 0.36 -0.97 0.28 -0.67 0.00 0.00 178.83 177.85 1vdm h VAL 11 N 0.56 1.34 -0.73 -0.54 2.07 -0.84 -2.63 116.25 115.47 1vdm h VAL 11 Ca 0.44 -2.33 -0.06 0.00 0.82 0.00 0.00 66.70 65.58 1vdm h VAL 11 Cb 0.87 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 1vdm h VAL 11 CO -0.19 0.71 0.24 0.44 0.02 0.00 0.00 177.57 178.79 1vdm h ASP 12 N 0.32 1.05 0.57 0.57 3.32 0.22 -0.29 116.42 122.18 1vdm h ASP 12 Ca -0.10 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.67 1vdm h ASP 12 Cb 1.61 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 1vdm h ASP 12 CO 0.18 0.97 -0.42 0.03 -1.72 0.00 0.00 179.24 178.28 1vdm h ARG 13 N 1.08 0.00 -0.04 3.56 2.47 -0.51 -1.36 114.38 119.58 1vdm h ARG 13 Ca 0.24 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.71 1vdm h ARG 13 Cb 0.29 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.63 1vdm h ARG 13 CO -0.01 0.42 -0.94 0.00 0.56 0.00 0.00 179.97 179.99 1vdm h ALA 14 N 1.58 0.17 -0.66 0.04 0.00 -1.02 -1.92 119.26 117.45 1vdm h ALA 14 Ca -0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 1vdm h ALA 14 Cb 0.82 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1vdm h ALA 14 CO 0.05 0.66 0.31 0.82 0.00 0.00 0.00 179.25 181.10 1vdm h ILE 15 N 0.40 1.23 -0.45 0.00 2.04 -0.86 -0.65 117.51 119.22 1vdm h ILE 15 Ca -0.11 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1vdm h ILE 15 Cb 1.60 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1vdm h ILE 15 CO 0.19 0.27 0.26 -0.26 0.00 0.00 0.00 178.15 178.60 1vdm h PHE 16 N 0.92 0.61 -0.80 1.37 0.04 -1.22 -1.53 116.94 116.32 1vdm h PHE 16 Ca 0.23 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 1vdm h PHE 16 Cb 0.13 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.05 1vdm h PHE 16 CO 0.00 0.44 0.37 0.00 -0.60 0.00 0.00 178.31 178.52 1vdm h ALA 17 N 1.11 1.03 -0.33 2.45 0.00 -1.04 -2.42 119.26 120.06 1vdm h ALA 17 Ca 0.16 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1vdm h ALA 17 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1vdm h ALA 17 CO -0.03 0.61 -0.21 -0.07 0.00 0.00 0.00 179.25 179.55 1vdm h LEU 18 N 1.13 0.63 -0.77 0.00 3.38 -0.81 -2.81 115.31 116.07 1vdm h LEU 18 Ca 0.27 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1vdm h LEU 18 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1vdm h LEU 18 CO -0.03 0.84 0.21 0.00 0.09 0.00 0.00 178.44 179.54 1vdm h ALA 19 N 1.22 1.00 -0.84 1.53 0.00 -1.00 -0.17 119.26 121.00 1vdm h ALA 19 Ca 0.08 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1vdm h ALA 19 Cb 0.66 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1vdm h ALA 19 CO 0.05 0.66 0.54 1.49 0.00 0.00 0.00 179.25 182.00 1vdm h GLU 20 N 1.09 0.88 0.00 0.00 4.57 -1.18 -1.96 114.58 117.98 1vdm h GLU 20 Ca 0.23 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 58.21 1vdm h GLU 20 Cb 0.33 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1vdm h GLU 20 CO -0.00 0.58 -1.16 0.87 -1.18 0.00 0.00 179.01 178.12 1vdm h LYS 21 N 0.90 0.00 0.00 1.92 1.79 -1.38 -3.30 116.57 116.50 1vdm h LYS 21 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1vdm h LYS 21 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1vdm h LYS 21 CO -0.13 0.36 0.00 1.28 -1.08 0.00 0.00 179.45 179.87 1vdm n LEU 22 N -2.98 0.00 -0.08 2.94 4.77 -0.11 -3.59 117.00 117.95 1vdm n LEU 22 Ca -0.06 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 1vdm n LEU 22 Cb 0.81 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1vdm n LEU 22 CO 0.42 -0.02 0.70 0.03 -1.33 0.00 0.00 177.39 177.20 1vdm h ARG 23 N 0.00 0.44 -0.80 3.23 3.08 -1.46 -2.87 114.38 115.99 1vdm h ARG 23 Ca 0.00 -0.17 0.10 0.00 0.07 0.00 0.00 59.98 59.98 1vdm h ARG 23 Cb 0.30 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 1vdm h ARG 23 CO 0.00 0.68 0.52 1.49 -1.07 0.00 0.00 179.97 181.60 1vdm h GLU 24 N 0.17 0.69 0.00 0.04 4.22 -1.80 -0.94 114.58 116.95 1vdm h GLU 24 Ca 0.06 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.40 1vdm h GLU 24 Cb 0.53 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1vdm h GLU 24 CO 0.02 0.46 -0.26 -0.92 -2.18 0.00 0.00 179.01 176.13 1vdm h TYR 25 N 0.71 0.00 -5.96 0.92 3.20 -1.72 -3.48 116.97 110.64 1vdm h TYR 25 Ca 0.37 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 62.03 1vdm h TYR 25 Cb 0.50 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1vdm h TYR 25 CO -0.00 0.26 -0.66 1.63 -1.64 0.00 0.00 178.16 177.75 1vdm n LYS 26 N -3.32 -1.75 -2.11 1.82 5.02 -0.36 -4.89 118.16 112.57 1vdm n LYS 26 Ca 0.01 1.43 -0.38 0.00 -2.02 0.00 0.00 58.31 57.35 1vdm n LYS 26 Cb 0.50 -4.06 0.00 0.00 -0.02 0.00 0.00 35.03 31.45 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 -3.33 3.70 -0.17 1.97 0.02 -1.26 -4.83 135.00 131.10 1vdm s PRO 27 Ca 0.13 1.97 0.19 0.00 0.02 0.00 0.00 61.00 63.31 1vdm s PRO 27 Cb -0.02 -2.48 -0.26 0.00 0.02 0.00 0.00 34.50 31.75 1vdm s PRO 27 CO 0.82 -0.66 0.14 -0.25 -0.33 0.00 0.00 177.00 176.72 1vdm n ASP 28 N -0.41 0.03 -3.81 2.53 10.43 0.71 -4.97 116.55 121.05 1vdm n ASP 28 Ca 0.07 0.00 -0.12 0.00 2.57 0.00 0.00 54.79 57.31 1vdm n ASP 28 Cb 0.46 1.17 -0.10 0.00 1.84 0.00 0.00 41.12 44.49 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 -2.66 0.06 -0.14 2.53 1.01 -1.14 -4.28 120.40 115.77 1vdm s VAL 29 Ca -0.10 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1vdm s VAL 29 Cb 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.98 1vdm s VAL 29 CO 0.84 -0.27 -0.19 -0.63 0.00 0.00 0.00 175.10 174.85 1vdm s ILE 30 N -1.11 1.89 -0.47 2.22 1.01 -0.90 -1.53 121.20 122.32 1vdm s ILE 30 Ca -0.12 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 1vdm s ILE 30 Cb -0.06 -1.70 0.10 0.00 0.01 0.00 0.00 42.46 40.82 1vdm s ILE 30 CO 0.02 0.52 0.35 -0.63 0.00 0.00 0.00 174.94 175.20 1vdm s ILE 31 N 1.05 4.48 -0.26 2.92 -1.09 0.23 -0.89 121.20 127.64 1vdm s ILE 31 Ca -0.02 -1.55 -0.18 0.00 -2.23 0.00 0.00 60.65 56.67 1vdm s ILE 31 Cb -0.14 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 1vdm s ILE 31 CO -0.06 -0.69 0.50 -0.83 -1.23 0.00 0.00 174.94 172.64 1vdm s GLY 32 N 2.64 1.86 -0.34 6.18 0.00 -0.75 -1.15 107.32 115.76 1vdm s GLY 32 Ca 0.04 -0.61 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 1vdm s GLY 32 CO 0.01 1.20 1.08 0.14 0.00 0.00 0.00 173.10 175.54 1vdm s VAL 33 N 2.24 4.47 0.59 1.40 1.01 -0.70 -2.62 120.40 126.78 1vdm s VAL 33 Ca 0.21 1.67 -0.16 0.00 0.00 0.00 0.00 61.98 63.70 1vdm s VAL 33 Cb -0.16 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1vdm s VAL 33 CO 0.09 -0.54 1.06 0.00 0.00 0.00 0.00 175.10 175.71 1vdm s ALA 34 N 3.75 2.73 -0.10 5.51 0.00 -0.67 -0.05 121.76 132.93 1vdm s ALA 34 Ca 0.46 0.44 0.21 0.00 0.00 0.00 0.00 51.96 53.07 1vdm s ALA 34 Cb -0.12 -3.25 -0.24 0.00 0.00 0.00 0.00 23.12 19.51 1vdm s ALA 34 CO 0.17 -0.80 0.59 0.54 0.00 0.00 0.00 175.76 176.26 1vdm n ARG 35 N -1.94 0.65 0.20 0.00 1.74 -1.26 -4.61 116.66 111.44 1vdm n ARG 35 Ca 0.09 -0.09 0.11 0.00 -0.77 0.00 0.00 57.85 57.20 1vdm n ARG 35 Cb 0.53 -1.61 0.68 0.00 -1.02 0.00 0.00 32.46 31.04 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 3.98 0.00 1.02 -0.13 0.00 -1.99 -2.64 103.07 103.32 1vdm h GLY 36 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1vdm h GLY 36 CO 0.01 0.00 -0.98 -1.33 0.00 0.00 0.00 176.54 174.23 1vdm h GLY 37 N 0.00 0.00 0.73 4.60 0.00 -0.73 -3.32 103.07 104.35 1vdm h GLY 37 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.42 1vdm h GLY 37 CO -0.00 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.94 1vdm h LEU 38 N 0.00 -0.08 -0.84 3.11 3.38 -1.52 0.80 115.31 120.16 1vdm h LEU 38 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1vdm h LEU 38 Cb 1.00 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1vdm h LEU 38 CO 0.00 -0.02 0.48 0.40 0.09 0.00 0.00 178.44 179.39 1vdm h ILE 39 N 0.05 1.24 -0.20 1.22 2.04 -1.78 -0.48 117.51 119.60 1vdm h ILE 39 Ca 0.08 -0.58 -0.15 0.00 1.00 0.00 0.00 64.86 65.20 1vdm h ILE 39 Cb 0.10 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1vdm h ILE 39 CO -0.14 0.27 -0.52 -0.65 0.00 0.00 0.00 178.15 177.11 1vdm h PRO 40 N 1.17 0.56 -0.84 2.37 0.11 -1.69 -2.99 132.00 130.69 1vdm h PRO 40 Ca 0.30 -0.34 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1vdm h PRO 40 Cb 0.01 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.11 1vdm h PRO 40 CO -0.05 0.94 0.40 0.00 -0.21 0.00 0.00 178.00 179.08 1vdm h ALA 41 N 1.00 1.08 -0.42 -0.75 0.00 -0.47 -1.53 119.26 118.16 1vdm h ALA 41 Ca 0.01 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1vdm h ALA 41 Cb 1.05 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1vdm h ALA 41 CO 0.10 0.65 0.25 0.28 0.00 0.00 0.00 179.25 180.52 1vdm h VAL 42 N 1.20 1.04 -0.19 0.00 2.07 -1.01 -0.16 116.25 119.20 1vdm h VAL 42 Ca 0.29 -0.17 -0.21 0.00 0.82 0.00 0.00 66.70 67.43 1vdm h VAL 42 Cb 0.12 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1vdm h VAL 42 CO -0.04 0.09 -0.70 0.03 0.02 0.00 0.00 177.57 176.98 1vdm h ARG 43 N 0.50 0.76 -0.44 1.57 3.08 -1.36 -3.07 114.38 115.43 1vdm h ARG 43 Ca 0.17 -0.57 -0.11 0.00 0.07 0.00 0.00 59.98 59.54 1vdm h ARG 43 Cb 0.01 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1vdm h ARG 43 CO -0.08 1.19 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.77 1vdm h LEU 44 N 0.55 0.83 -0.66 3.04 3.38 -1.21 -1.34 115.31 119.91 1vdm h LEU 44 Ca -0.03 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.76 1vdm h LEU 44 Cb 1.31 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1vdm h LEU 44 CO 0.14 1.00 0.27 -1.28 0.09 0.00 0.00 178.44 178.66 1vdm h SER 45 N 0.74 0.30 0.03 -0.43 0.87 -1.00 -1.38 113.55 112.68 1vdm h SER 45 Ca 0.11 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1vdm h SER 45 Cb 0.68 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1vdm h SER 45 CO 0.05 0.17 -0.01 -0.74 -0.53 0.00 0.00 176.83 175.76 1vdm h HIS 46 N 0.47 -0.04 -0.70 2.24 -0.00 -1.41 -0.97 115.15 114.73 1vdm h HIS 46 Ca 0.33 -0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.86 1vdm h HIS 46 Cb 0.41 0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 27.79 1vdm h HIS 46 CO -0.15 0.63 0.48 0.82 -0.00 0.00 0.00 177.93 179.71 1vdm h ILE 47 N -0.78 0.75 -0.62 6.26 2.04 -1.11 -1.67 117.51 122.37 1vdm h ILE 47 Ca -0.00 -0.09 -0.34 0.00 1.00 0.00 0.00 64.86 65.43 1vdm h ILE 47 Cb 0.69 0.48 -0.19 0.00 -0.74 0.00 0.00 36.82 37.05 1vdm h ILE 47 CO 0.01 0.05 0.44 0.18 0.00 0.00 0.00 178.15 178.82 1vdm n LEU 48 N -4.43 5.63 -0.05 1.44 4.77 -0.53 -4.82 117.00 119.01 1vdm n LEU 48 Ca 0.13 -2.97 0.00 0.00 -0.03 0.00 0.00 56.01 53.15 1vdm n LEU 48 Cb 0.60 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1vdm n LEU 48 CO 0.34 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 1vdm n GLY 49 N -0.42 0.88 3.59 -0.72 0.00 -0.67 -4.41 105.19 103.45 1vdm n GLY 49 Ca 0.38 -0.60 -0.24 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 1.34 -5.70 -4.86 1.61 9.92 -0.52 -4.96 116.55 113.38 1vdm n ASP 50 Ca 0.00 -0.83 -0.32 0.00 -0.53 0.00 0.00 54.79 53.10 1vdm n ASP 50 Cb 0.35 -3.38 -0.06 0.00 -0.64 0.00 0.00 41.12 37.40 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 -3.28 4.83 0.20 0.53 -4.36 -0.49 -4.97 121.20 113.66 1vdm s ILE 51 Ca 0.29 0.68 -0.32 0.00 -0.26 0.00 0.00 60.65 61.04 1vdm s ILE 51 Cb -0.10 -3.63 -0.16 0.00 1.25 0.00 0.00 42.46 39.82 1vdm s ILE 51 CO 0.85 -0.08 1.07 -0.81 0.24 0.00 0.00 174.94 176.21 1vdm n PRO 52 N -0.12 1.08 -4.29 0.37 -0.04 -1.26 -4.80 135.00 125.93 1vdm n PRO 52 Ca 0.01 0.38 -0.33 0.00 -0.04 0.00 0.00 63.50 63.52 1vdm n PRO 52 Cb 0.53 -1.81 -0.15 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.78 2.42 0.31 1.53 2.96 -1.26 -2.11 118.68 123.31 1vdm s LEU 53 Ca 0.70 -0.52 0.09 0.00 -0.22 0.00 0.00 54.13 54.17 1vdm s LEU 53 Cb -0.84 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1vdm s LEU 53 CO 0.54 0.04 0.09 -0.54 -1.32 0.00 0.00 176.35 175.16 1vdm s LYS 54 N 1.09 2.38 -0.00 1.98 1.02 -0.07 -5.00 119.74 121.14 1vdm s LYS 54 Ca -0.00 -1.47 0.03 0.00 0.02 0.00 0.00 55.97 54.55 1vdm s LYS 54 Cb -0.14 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1vdm s LYS 54 CO -0.05 0.23 -0.08 0.08 -0.92 0.00 0.00 175.35 174.60 1vdm s VAL 55 N -2.37 0.65 0.00 3.17 1.01 -1.26 -1.81 120.40 119.79 1vdm s VAL 55 Ca 0.35 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1vdm s VAL 55 Cb -0.04 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1vdm s VAL 55 CO 0.22 0.15 -0.06 -0.51 0.00 0.00 0.00 175.10 174.90 1vdm s ILE 56 N -0.27 0.44 -0.09 2.22 2.07 -1.08 -4.27 121.20 120.22 1vdm s ILE 56 Ca 0.02 -0.33 0.01 0.00 -1.41 0.00 0.00 60.65 58.94 1vdm s ILE 56 Cb -0.04 -0.39 0.02 0.00 0.13 0.00 0.00 42.46 42.18 1vdm s ILE 56 CO -0.00 0.06 -0.09 -0.62 -1.91 0.00 0.00 174.94 172.38 1vdm s ASP 57 N -0.30 1.86 -0.14 4.50 3.68 0.36 -1.67 116.67 124.95 1vdm s ASP 57 Ca 0.01 -0.27 0.02 0.00 2.13 0.00 0.00 52.55 54.43 1vdm s ASP 57 Cb -0.03 -0.77 0.02 0.00 -1.45 0.00 0.00 42.92 40.68 1vdm s ASP 57 CO -0.00 -0.06 -0.19 -0.69 0.13 0.00 0.00 175.17 174.36 1vdm s VAL 58 N 1.24 1.87 -0.02 1.11 1.01 -1.26 -0.22 120.40 124.13 1vdm s VAL 58 Ca -0.04 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1vdm s VAL 58 Cb -0.14 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1vdm s VAL 58 CO -0.03 0.51 -0.17 -0.54 0.00 0.00 0.00 175.10 174.87 1vdm s LYS 59 N 1.08 2.32 -0.27 2.72 3.01 -0.46 -4.94 119.74 123.19 1vdm s LYS 59 Ca -0.02 -0.82 -0.06 0.00 -1.01 0.00 0.00 55.97 54.07 1vdm s LYS 59 Cb -0.14 -2.27 0.01 0.00 -1.01 0.00 0.00 37.83 34.41 1vdm s LYS 59 CO -0.06 0.59 0.04 -0.06 0.51 0.00 0.00 175.35 176.37 1vdm s PHE 60 N -0.77 3.11 -0.05 3.18 0.40 -1.26 -0.18 117.98 122.40 1vdm s PHE 60 Ca 0.12 -1.02 -0.07 0.00 -0.60 0.00 0.00 56.93 55.36 1vdm s PHE 60 Cb -0.10 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1vdm s PHE 60 CO 0.02 -0.58 0.21 0.71 0.70 0.00 0.00 175.22 176.28 1vdm s TYR 61 N 1.48 3.60 -0.11 0.36 4.12 -1.16 -4.99 117.35 120.64 1vdm s TYR 61 Ca 0.03 0.56 -0.05 0.00 0.02 0.00 0.00 57.07 57.64 1vdm s TYR 61 Cb -0.17 -1.97 -0.04 0.00 -1.52 0.00 0.00 41.96 38.27 1vdm s TYR 61 CO 0.01 0.68 0.06 0.15 0.02 0.00 0.00 175.55 176.46 1vdm s LYS 62 N -1.41 3.31 0.00 -0.62 1.02 -1.26 -3.54 119.74 117.24 1vdm s LYS 62 Ca 0.22 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1vdm s LYS 62 Cb -0.13 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1vdm s LYS 62 CO 0.11 0.66 0.00 0.41 -0.92 0.00 0.00 175.35 175.61 1vdm n GLY 63 N 2.31 0.11 0.00 -3.33 0.00 -1.26 -5.09 105.19 97.94 1vdm n GLY 63 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1vdm n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vdm n GLY 68 N 0.00 0.00 3.00 -0.02 0.00 -1.26 -5.04 105.19 101.87 1vdm n GLY 68 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 1.17 -0.04 1.61 2.02 -1.26 -5.04 118.70 117.16 1vdm s GLU 69 Ca 0.00 -0.32 0.07 0.00 0.02 0.00 0.00 54.97 54.74 1vdm s GLU 69 Cb 0.00 -1.06 -0.02 0.00 0.10 0.00 0.00 34.13 33.16 1vdm s GLU 69 CO 0.00 0.07 -0.25 0.15 0.02 0.00 0.00 175.26 175.25 1vdm s LYS 70 N 0.42 2.28 0.27 1.61 1.02 -1.23 -4.96 119.74 119.14 1vdm s LYS 70 Ca -0.07 -0.91 -0.29 0.00 0.02 0.00 0.00 55.97 54.71 1vdm s LYS 70 Cb -0.12 -2.08 -0.09 0.00 -0.52 0.00 0.00 37.83 35.02 1vdm s LYS 70 CO 0.01 0.48 0.98 -1.25 -0.92 0.00 0.00 175.35 174.66 1vdm s PRO 71 N -0.42 4.74 -0.08 -1.68 0.04 -1.26 -3.00 135.00 133.34 1vdm s PRO 71 Ca 0.04 1.54 0.04 0.00 0.04 0.00 0.00 61.00 62.66 1vdm s PRO 71 Cb -0.12 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1vdm s PRO 71 CO 0.01 0.39 -0.20 0.08 0.04 0.00 0.00 177.00 177.32 1vdm s VAL 72 N -1.26 1.72 -0.69 -0.36 1.01 0.75 -4.97 120.40 116.61 1vdm s VAL 72 Ca 0.44 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 1vdm s VAL 72 Cb -0.26 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1vdm s VAL 72 CO 0.33 0.48 1.36 -0.63 0.00 0.00 0.00 175.10 176.64 1vdm s ILE 73 N 0.33 3.71 0.06 2.22 -1.09 -1.26 -1.35 121.20 123.81 1vdm s ILE 73 Ca -0.14 0.47 -0.21 0.00 -2.23 0.00 0.00 60.65 58.54 1vdm s ILE 73 Cb -0.16 -4.72 -0.12 0.00 -1.58 0.00 0.00 42.46 35.88 1vdm s ILE 73 CO 0.06 -1.60 1.46 0.74 -1.23 0.00 0.00 174.94 174.37 1vdm h THR 74 N 6.19 1.28 -3.37 2.92 2.02 -0.96 -3.41 112.91 117.59 1vdm h THR 74 Ca -0.27 -0.94 -0.56 0.00 0.77 0.00 0.00 66.41 65.40 1vdm h THR 74 Cb 1.07 1.58 -0.39 0.00 -1.74 0.00 0.00 68.15 68.66 1vdm h THR 74 CO 1.25 0.28 -0.77 -0.63 0.37 0.00 0.00 175.52 176.02 1vdm s ILE 75 N -4.83 0.95 0.54 3.11 1.01 -1.13 -4.92 121.20 115.94 1vdm s ILE 75 Ca -0.14 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.40 1vdm s ILE 75 Cb 0.06 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 1vdm s ILE 75 CO 0.73 -0.29 0.94 -2.16 0.00 0.00 0.00 174.94 174.15 1vdm s PRO 76 N 1.64 3.70 -0.08 2.79 0.04 -1.26 -0.49 135.00 141.34 1vdm s PRO 76 Ca 0.00 0.66 -0.03 0.00 0.04 0.00 0.00 61.00 61.67 1vdm s PRO 76 Cb -0.18 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1vdm s PRO 76 CO -0.11 -0.35 0.04 0.96 0.04 0.00 0.00 177.00 177.58 1vdm s ILE 77 N -2.85 4.64 0.22 0.56 -4.36 -1.26 -4.82 121.20 113.33 1vdm s ILE 77 Ca 0.54 -0.16 0.02 0.00 -0.26 0.00 0.00 60.65 60.79 1vdm s ILE 77 Cb -0.10 -2.99 -0.05 0.00 1.25 0.00 0.00 42.46 40.56 1vdm s ILE 77 CO 0.44 0.58 0.03 -1.00 0.24 0.00 0.00 174.94 175.22 1vdm s HIS 78 N -0.96 1.45 0.00 1.37 3.76 -1.26 -5.05 115.29 114.60 1vdm s HIS 78 Ca 0.15 -1.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 1vdm s HIS 78 Cb -0.12 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.73 1vdm s HIS 78 CO 0.04 -0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 1vdm n GLY 79 N -0.38 -0.46 3.77 -2.22 0.00 -1.26 -5.00 105.19 99.65 1vdm n GLY 79 Ca -0.04 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.23 6.12 -0.31 1.61 -4.77 -1.26 -4.92 116.67 112.90 1vdm s ASP 80 Ca 0.00 2.51 0.08 0.00 -3.30 0.00 0.00 52.55 51.83 1vdm s ASP 80 Cb 0.00 -2.62 0.49 0.00 -1.09 0.00 0.00 42.92 39.70 1vdm s ASP 80 CO 0.00 -0.97 1.45 0.18 0.70 0.00 0.00 175.17 176.53 1vdm n LEU 81 N -0.29 4.39 -4.70 2.11 4.77 0.25 -5.03 117.00 118.50 1vdm n LEU 81 Ca 0.06 -3.97 -0.60 0.00 -0.03 0.00 0.00 56.01 51.47 1vdm n LEU 81 Cb 0.46 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 1vdm n LEU 81 CO 0.52 1.41 1.32 1.17 -1.33 0.00 0.00 177.39 180.49 1vdm n LYS 82 N -1.06 0.86 -2.38 3.23 3.00 -1.15 -0.65 118.16 120.02 1vdm n LYS 82 Ca 0.36 0.31 -0.17 0.00 -0.00 0.00 0.00 58.31 58.81 1vdm n LYS 82 Cb 0.98 -1.97 -0.01 0.00 0.00 0.00 0.00 35.03 34.03 1vdm n LYS 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1vdm n ASP 83 N 5.35 -5.09 -4.71 3.14 8.00 -1.25 -4.88 116.55 117.11 1vdm n ASP 83 Ca 0.29 0.08 -0.34 0.00 0.71 0.00 0.00 54.79 55.53 1vdm n ASP 83 Cb 0.09 -4.27 -0.09 0.00 -0.02 0.00 0.00 41.12 36.82 1vdm n ASP 83 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vdm s LYS 84 N -4.97 2.98 -0.71 -1.24 -0.14 0.17 -4.86 119.74 110.97 1vdm s LYS 84 Ca 0.00 -0.44 -0.22 0.00 -1.36 0.00 0.00 55.97 53.95 1vdm s LYS 84 Cb 0.00 -2.80 0.08 0.00 -1.68 0.00 0.00 37.83 33.42 1vdm s LYS 84 CO 0.00 0.68 1.01 1.03 -0.76 0.00 0.00 175.35 177.31 1vdm s ARG 85 N -1.15 3.19 0.27 1.68 0.52 -1.26 -3.38 118.95 118.83 1vdm s ARG 85 Ca 0.16 -0.96 -0.15 0.00 -0.52 0.00 0.00 55.73 54.25 1vdm s ARG 85 Cb -0.11 -4.36 -0.08 0.00 0.52 0.00 0.00 34.95 30.91 1vdm s ARG 85 CO 0.06 -1.83 0.69 0.08 0.02 0.00 0.00 175.30 174.32 1vdm s VAL 86 N 3.92 4.71 -0.10 3.52 1.01 -0.58 -0.21 120.40 132.68 1vdm s VAL 86 Ca 0.24 0.94 0.01 0.00 0.00 0.00 0.00 61.98 63.17 1vdm s VAL 86 Cb -0.15 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1vdm s VAL 86 CO 0.07 -0.05 -0.09 -0.69 0.00 0.00 0.00 175.10 174.33 1vdm s VAL 87 N -1.82 1.05 -0.24 2.92 1.01 -0.58 -2.06 120.40 120.67 1vdm s VAL 87 Ca 0.50 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 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 0.19 0.36 0.30 -0.63 0.00 0.00 0.00 175.10 175.32 1vdm s ILE 88 N 1.33 5.24 -0.11 2.22 1.01 0.07 -0.60 121.20 130.36 1vdm s ILE 88 Ca -0.02 0.46 -0.01 0.00 0.00 0.00 0.00 60.65 61.08 1vdm s ILE 88 Cb -0.14 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1vdm s ILE 88 CO -0.04 0.24 -0.06 -0.69 0.00 0.00 0.00 174.94 174.39 1vdm s VAL 89 N 1.58 3.69 0.14 2.92 1.01 -0.30 0.60 120.40 130.04 1vdm s VAL 89 Ca 0.13 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1vdm s VAL 89 Cb -0.15 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1vdm s VAL 89 CO 0.08 0.55 0.35 -0.62 0.00 0.00 0.00 175.10 175.46 1vdm s ASP 90 N -0.17 -0.08 0.05 3.32 -1.08 -0.72 -1.73 116.67 116.26 1vdm s ASP 90 Ca 0.02 -0.59 -0.17 0.00 -0.52 0.00 0.00 52.55 51.29 1vdm s ASP 90 Cb -0.13 0.46 -0.18 0.00 -1.46 0.00 0.00 42.92 41.61 1vdm s ASP 90 CO 0.03 -0.88 1.23 -2.24 0.52 0.00 0.00 175.17 173.83 1vdm h ASP 91 N 2.46 0.67 -4.83 -0.34 -0.00 -1.88 -3.10 116.42 109.41 1vdm h ASP 91 Ca -0.32 -0.65 -0.11 0.00 -0.00 0.00 0.00 57.03 55.95 1vdm h ASP 91 Cb 1.24 -0.20 -0.21 0.00 -0.00 0.00 0.00 39.33 40.16 1vdm h ASP 91 CO 0.47 1.21 -0.22 0.54 -0.00 0.00 0.00 179.24 181.24 1vdm s VAL 92 N -3.66 0.04 -0.56 4.15 0.11 -1.25 -1.11 120.40 118.12 1vdm s VAL 92 Ca -0.12 -0.35 -0.11 0.00 -2.93 0.00 0.00 61.98 58.47 1vdm s VAL 92 Cb 0.06 -0.65 0.14 0.00 -1.53 0.00 0.00 36.38 34.40 1vdm s VAL 92 CO 0.84 -0.19 0.46 -0.55 -3.33 0.00 0.00 175.10 172.32 1vdm s SER 93 N -1.09 5.93 0.00 3.54 0.15 -0.10 -4.95 113.70 117.18 1vdm s SER 93 Ca -0.11 -2.12 0.00 0.00 0.70 0.00 0.00 55.95 54.42 1vdm s SER 93 Cb -0.04 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1vdm s SER 93 CO 0.04 -0.67 0.00 -0.67 1.20 0.00 0.00 173.24 173.14 1vdm n ASP 94 N 4.67 0.00 -0.04 5.45 4.64 -1.26 -1.40 116.55 128.61 1vdm n ASP 94 Ca -0.04 0.00 -0.07 0.00 -1.38 0.00 0.00 54.79 53.30 1vdm n ASP 94 Cb 0.41 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.35 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 -0.76 1.43 0.00 5.18 -2.24 -1.26 -3.37 114.28 113.26 1vdm n THR 95 Ca 0.00 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1vdm n THR 95 Cb 0.00 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 1.58 0.33 0.14 3.38 0.00 -1.26 -0.89 105.19 108.47 1vdm n GLY 96 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 4.10 0.17 0.26 1.61 2.10 -1.99 -1.27 116.57 121.55 1vdm h LYS 97 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1vdm h LYS 97 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1vdm h LYS 97 CO 0.00 0.11 -0.13 1.15 -2.00 0.00 0.00 179.45 178.58 1vdm h THR 98 N 0.17 0.79 -0.44 0.07 2.02 -1.98 -2.84 112.91 110.70 1vdm h THR 98 Ca 0.14 -0.48 0.13 0.00 0.77 0.00 0.00 66.41 66.97 1vdm h THR 98 Cb 0.14 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1vdm h THR 98 CO -0.18 0.10 0.42 -0.07 0.37 0.00 0.00 175.52 176.16 1vdm h LEU 99 N -0.61 0.00 -0.36 2.58 3.38 -1.93 0.21 115.31 118.58 1vdm h LEU 99 Ca -0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 1vdm h LEU 99 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1vdm h LEU 99 CO 0.06 0.00 -0.73 -0.33 0.09 0.00 0.00 178.44 177.53 1vdm h GLU 100 N 0.00 0.49 -0.19 1.13 5.08 -1.01 -1.27 114.58 118.81 1vdm h GLU 100 Ca 0.21 -0.40 -0.20 0.00 -1.00 0.00 0.00 59.36 57.97 1vdm h GLU 100 Cb 1.05 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1vdm h GLU 100 CO -0.00 1.03 -0.68 0.28 -1.00 0.00 0.00 179.01 178.64 1vdm h VAL 101 N 0.34 1.29 -0.22 3.13 2.07 -0.44 -2.48 116.25 119.94 1vdm h VAL 101 Ca -0.03 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 1vdm h VAL 101 Cb 1.31 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1vdm h VAL 101 CO 0.13 0.60 0.09 0.58 0.02 0.00 0.00 177.57 179.00 1vdm h VAL 102 N 0.55 1.16 -0.85 2.57 2.07 -1.08 -1.34 116.25 119.33 1vdm h VAL 102 Ca -0.02 -0.48 0.16 0.00 0.82 0.00 0.00 66.70 67.19 1vdm h VAL 102 Cb 1.29 1.06 -0.10 0.00 -1.52 0.00 0.00 31.29 32.02 1vdm h VAL 102 CO 0.14 0.16 0.41 0.40 0.02 0.00 0.00 177.57 178.70 1vdm h ILE 103 N 0.22 0.66 -0.43 4.57 2.04 -1.25 -0.72 117.51 122.59 1vdm h ILE 103 Ca 0.08 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1vdm h ILE 103 Cb 0.16 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1vdm h ILE 103 CO -0.01 0.10 -0.01 -0.33 0.00 0.00 0.00 178.15 177.91 1vdm h GLU 104 N 0.55 0.70 0.00 2.37 5.08 -0.85 -1.92 114.58 120.51 1vdm h GLU 104 Ca 0.48 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.51 1vdm h GLU 104 Cb 0.75 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1vdm h GLU 104 CO -0.41 0.72 -0.74 0.93 -1.00 0.00 0.00 179.01 178.51 1vdm h GLU 105 N 0.66 0.00 -0.16 2.33 4.39 -0.55 -2.57 114.58 118.67 1vdm h GLU 105 Ca 0.13 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.64 1vdm h GLU 105 Cb 0.42 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1vdm h GLU 105 CO 0.02 0.74 -0.65 0.28 -1.16 0.00 0.00 179.01 178.25 1vdm h VAL 106 N 0.00 1.30 0.00 3.13 2.07 -0.94 -2.93 116.25 118.87 1vdm h VAL 106 Ca -0.01 -1.87 -0.03 0.00 0.82 0.00 0.00 66.70 65.61 1vdm h VAL 106 Cb 1.32 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1vdm h VAL 106 CO 0.10 0.59 -0.15 0.11 0.02 0.00 0.00 177.57 178.24 1vdm h LYS 107 N 0.43 0.00 0.00 1.57 1.57 -1.35 -1.10 116.57 117.70 1vdm h LYS 107 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1vdm h LYS 107 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1vdm h LYS 107 CO 0.14 0.15 0.00 1.63 -0.57 0.00 0.00 179.45 180.79 1vdm n LYS 108 N -3.84 0.18 -0.53 3.15 5.02 -0.97 -1.61 118.16 119.56 1vdm n LYS 108 Ca -0.02 0.37 0.10 0.00 -2.02 0.00 0.00 58.31 56.73 1vdm n LYS 108 Cb 0.24 -1.81 0.33 0.00 -0.02 0.00 0.00 35.03 33.78 1vdm n LYS 108 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1vdm n LEU 109 N -2.14 4.46 -2.74 -0.35 4.77 -0.42 -4.95 117.00 115.63 1vdm n LEU 109 Ca 0.03 -2.36 -0.14 0.00 -0.03 0.00 0.00 56.01 53.50 1vdm n LEU 109 Cb 0.25 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1vdm n LEU 109 CO 0.20 0.84 0.12 0.61 -1.33 0.00 0.00 177.39 177.83 1vdm n GLY 110 N 1.10 -0.13 3.72 -0.72 0.00 -0.63 -0.59 105.19 107.95 1vdm n GLY 110 Ca 0.24 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.25 3.49 0.00 4.61 0.00 -1.19 -2.92 121.76 122.50 1vdm s ALA 111 Ca 0.18 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1vdm s ALA 111 Cb -0.08 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1vdm s ALA 111 CO 0.52 -0.50 0.54 1.17 0.00 0.00 0.00 175.76 177.49 1vdm n LYS 112 N 3.50 0.00 -5.22 0.00 4.81 -1.22 -4.84 118.16 115.19 1vdm n LYS 112 Ca 0.09 0.41 -0.32 0.00 -0.87 0.00 0.00 58.31 57.61 1vdm n LYS 112 Cb 0.44 -1.20 -0.17 0.00 0.02 0.00 0.00 35.03 34.12 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 -1.89 2.77 -0.12 1.64 2.12 -1.23 -5.01 118.70 116.99 1vdm s GLU 113 Ca 0.00 -0.88 0.03 0.00 0.36 0.00 0.00 54.97 54.48 1vdm s GLU 113 Cb 0.00 -2.24 0.00 0.00 0.26 0.00 0.00 34.13 32.16 1vdm s GLU 113 CO 0.00 0.30 -0.23 0.42 -0.54 0.00 0.00 175.26 175.21 1vdm s ILE 114 N 0.04 2.08 0.14 -3.70 1.01 -1.26 -1.52 121.20 117.98 1vdm s ILE 114 Ca -0.10 -1.00 0.09 0.00 0.00 0.00 0.00 60.65 59.65 1vdm s ILE 114 Cb -0.15 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1vdm s ILE 114 CO 0.06 0.56 -0.21 -0.75 0.00 0.00 0.00 174.94 174.60 1vdm s LYS 115 N 0.53 1.25 -0.07 2.79 2.47 -0.88 -5.03 119.74 120.80 1vdm s LYS 115 Ca -0.14 -1.32 0.03 0.00 -1.56 0.00 0.00 55.97 52.98 1vdm s LYS 115 Cb -0.17 -1.45 0.01 0.00 -1.46 0.00 0.00 37.83 34.75 1vdm s LYS 115 CO 0.05 0.32 -0.17 0.42 0.16 0.00 0.00 175.35 176.12 1vdm s ILE 116 N -1.58 1.51 -0.06 5.43 1.01 -1.26 -0.75 121.20 125.50 1vdm s ILE 116 Ca 0.12 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1vdm s ILE 116 Cb -0.08 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.06 1vdm s ILE 116 CO 0.06 0.44 -0.17 0.00 0.00 0.00 0.00 174.94 175.26 1vdm s ALA 117 N 0.41 1.58 0.03 9.38 0.00 0.20 -0.99 121.76 132.37 1vdm s ALA 117 Ca -0.14 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 1vdm s ALA 117 Cb -0.16 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1vdm s ALA 117 CO 0.05 0.24 -0.03 0.00 0.00 0.00 0.00 175.76 176.02 1vdm h LEU 119 N 4.28 0.63 -8.00 0.00 3.38 -1.32 -3.30 115.31 110.98 1vdm h LEU 119 Ca -0.33 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.17 1vdm h LEU 119 Cb 1.19 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.61 1vdm h LEU 119 CO 0.47 1.09 -0.53 0.00 0.09 0.00 0.00 178.44 179.56 1vdm s ALA 120 N -3.89 0.10 0.03 1.53 0.00 -0.26 0.16 121.76 119.42 1vdm s ALA 120 Ca -0.07 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 1vdm s ALA 120 Cb 0.11 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 1vdm s ALA 120 CO 0.85 -0.41 0.08 0.00 0.00 0.00 0.00 175.76 176.28 1vdm s MET 121 N -3.55 0.51 -0.13 0.00 0.23 0.02 -0.92 119.30 115.46 1vdm s MET 121 Ca 0.03 -0.67 -0.03 0.00 -1.03 0.00 0.00 55.69 53.99 1vdm s MET 121 Cb 0.04 0.20 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 1vdm s MET 121 CO -0.09 -0.12 -0.02 0.15 -2.03 0.00 0.00 175.02 172.91 1vdm s LYS 122 N -2.17 3.40 0.60 3.16 1.02 -0.50 -2.72 119.74 122.54 1vdm s LYS 122 Ca -0.09 -0.48 0.29 0.00 0.02 0.00 0.00 55.97 55.71 1vdm s LYS 122 Cb -0.04 -2.87 1.06 0.00 -0.52 0.00 0.00 37.83 35.46 1vdm s LYS 122 CO -0.03 0.42 1.41 -1.35 -0.92 0.00 0.00 175.35 174.88 1vdm h PRO 123 N 6.11 0.00 -0.74 -1.68 0.11 -1.90 0.14 132.00 134.04 1vdm h PRO 123 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1vdm h PRO 123 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1vdm h PRO 123 CO 0.60 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.72 1vdm n TRP 124 N -3.36 1.02 -1.53 0.65 2.14 -1.26 -5.00 117.44 110.11 1vdm n TRP 124 Ca 0.23 -0.51 -0.32 0.00 2.07 0.00 0.00 57.50 58.97 1vdm n TRP 124 Cb 1.45 -0.02 0.07 0.00 -0.81 0.00 0.00 31.31 32.00 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 -1.05 3.16 -0.40 -1.67 -1.32 0.04 -4.87 115.64 109.52 1vdm s THR 125 Ca 0.50 0.48 0.23 0.00 -1.21 0.00 0.00 61.69 61.68 1vdm s THR 125 Cb 0.26 -2.97 -0.09 0.00 -1.51 0.00 0.00 72.50 68.19 1vdm s THR 125 CO 0.33 -0.39 0.98 -1.54 -2.21 0.00 0.00 174.62 171.79 1vdm n SER 126 N -2.88 0.62 -3.92 8.08 3.41 -0.06 -4.65 113.62 114.21 1vdm n SER 126 Ca 0.10 0.04 -0.30 0.00 -0.26 0.00 0.00 58.87 58.45 1vdm n SER 126 Cb 0.52 0.78 -0.14 0.00 -0.26 0.00 0.00 64.21 65.11 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 -3.30 2.30 0.12 -3.33 1.01 -1.26 -5.03 120.40 110.90 1vdm s VAL 127 Ca 0.01 -2.95 -0.31 0.00 0.00 0.00 0.00 61.98 58.73 1vdm s VAL 127 Cb 0.13 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 1vdm s VAL 127 CO 0.80 -0.77 1.27 -0.69 0.00 0.00 0.00 175.10 175.71 1vdm s VAL 128 N 0.11 3.64 0.45 2.92 1.01 -1.26 -4.90 120.40 122.36 1vdm s VAL 128 Ca 0.16 1.23 -0.24 0.00 0.00 0.00 0.00 61.98 63.13 1vdm s VAL 128 Cb -0.24 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 1vdm s VAL 128 CO -0.02 0.13 1.20 -2.84 0.00 0.00 0.00 175.10 173.56 1vdm s PRO 129 N 0.68 3.79 0.49 2.72 0.02 -1.26 -4.91 135.00 136.52 1vdm s PRO 129 Ca 0.59 1.87 0.28 0.00 0.02 0.00 0.00 61.00 63.76 1vdm s PRO 129 Cb -0.33 -2.49 1.16 0.00 0.02 0.00 0.00 34.50 32.87 1vdm s PRO 129 CO 0.32 -0.55 1.92 -0.44 -0.33 0.00 0.00 177.00 177.92 1vdm h ASP 130 N 2.19 0.00 -3.34 2.53 5.19 -1.45 -3.42 116.42 118.12 1vdm h ASP 130 Ca -0.49 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 55.71 1vdm h ASP 130 Cb 1.25 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 40.46 1vdm h ASP 130 CO 0.61 0.14 -0.50 -0.31 -3.12 0.00 0.00 179.24 176.05 1vdm s TYR 131 N -3.74 -0.31 0.17 4.55 1.51 -0.92 -5.00 117.35 113.61 1vdm s TYR 131 Ca 0.00 0.75 -0.21 0.00 -1.01 0.00 0.00 57.07 56.60 1vdm s TYR 131 Cb 0.10 0.02 0.06 0.00 -0.11 0.00 0.00 41.96 42.03 1vdm s TYR 131 CO 0.60 -0.23 0.58 1.52 -1.11 0.00 0.00 175.55 176.91 1vdm s TYR 132 N 1.30 -0.42 -0.06 2.71 -0.85 -1.25 -1.36 117.35 117.42 1vdm s TYR 132 Ca -0.09 0.15 -0.04 0.00 -0.52 0.00 0.00 57.07 56.57 1vdm s TYR 132 Cb -0.11 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 1vdm s TYR 132 CO -0.08 -0.89 -0.10 0.28 -1.52 0.00 0.00 175.55 173.24 1vdm n VAL 133 N -0.37 0.59 -3.29 -3.49 0.31 -0.82 -5.01 118.33 106.25 1vdm n VAL 133 Ca -0.15 -0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 63.78 1vdm n VAL 133 Cb 0.64 -1.64 -0.06 0.00 -0.91 0.00 0.00 33.84 31.87 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 -2.16 3.51 -0.18 3.52 2.99 0.12 -5.00 117.98 120.78 1vdm s PHE 134 Ca -0.10 0.91 0.01 0.00 0.00 0.00 0.00 56.93 57.74 1vdm s PHE 134 Cb 0.04 -2.58 0.03 0.00 0.00 0.00 0.00 43.02 40.51 1vdm s PHE 134 CO 0.13 0.15 -0.12 0.50 -0.00 0.00 0.00 175.22 175.87 1vdm s ARG 135 N 0.70 2.20 0.18 0.44 3.52 -1.26 -0.80 118.95 123.92 1vdm s ARG 135 Ca 0.27 -0.73 -0.23 0.00 -0.13 0.00 0.00 55.73 54.91 1vdm s ARG 135 Cb -0.15 -2.30 0.06 0.00 -1.56 0.00 0.00 34.95 31.00 1vdm s ARG 135 CO 0.11 -0.34 0.63 -0.08 -0.81 0.00 0.00 175.30 174.81 1vdm s THR 136 N 1.43 0.00 -0.13 4.11 -1.32 -1.10 -5.02 115.64 113.61 1vdm s THR 136 Ca 0.02 -0.18 0.15 0.00 -1.21 0.00 0.00 61.69 60.47 1vdm s THR 136 Cb -0.15 -1.18 -0.22 0.00 -1.51 0.00 0.00 72.50 69.44 1vdm s THR 136 CO -0.09 0.00 0.38 -0.62 -2.21 0.00 0.00 174.62 172.07 1vdm n GLU 137 N -0.39 0.73 -0.75 7.08 1.02 -1.26 -4.18 120.64 122.88 1vdm n GLU 137 Ca -0.14 -0.12 -0.29 0.00 -0.02 0.00 0.00 57.16 56.59 1vdm n GLU 137 Cb 0.64 -1.33 0.22 0.00 -0.02 0.00 0.00 31.44 30.95 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 -2.95 -0.39 -0.01 3.49 1.02 -1.26 -4.94 119.74 114.70 1vdm s LYS 138 Ca -0.04 0.79 -0.30 0.00 0.02 0.00 0.00 55.97 56.44 1vdm s LYS 138 Cb 0.10 -1.62 -0.05 0.00 -0.52 0.00 0.00 37.83 35.74 1vdm s LYS 138 CO 0.63 -3.35 1.41 -0.46 -0.92 0.00 0.00 175.35 172.66 1vdm s TRP 139 N -2.63 2.78 -0.23 3.18 -0.11 -1.24 -4.90 118.94 115.79 1vdm s TRP 139 Ca 0.67 0.78 -0.07 0.00 1.22 0.00 0.00 56.10 58.70 1vdm s TRP 139 Cb -0.23 -3.68 -0.03 0.00 -1.50 0.00 0.00 33.47 28.03 1vdm s TRP 139 CO 0.62 -2.52 0.07 0.42 -4.62 0.00 0.00 176.95 170.92 1vdm s ILE 140 N 2.59 4.43 -0.34 5.86 1.01 -1.26 -0.65 121.20 132.84 1vdm s ILE 140 Ca 0.64 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 61.07 1vdm s ILE 140 Cb -0.31 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.13 1vdm s ILE 140 CO 0.26 0.36 0.13 -0.69 0.00 0.00 0.00 174.94 175.00 1vdm s VAL 141 N 1.34 4.09 0.34 2.92 1.01 0.24 -4.96 120.40 125.38 1vdm s VAL 141 Ca 0.05 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 1vdm s VAL 141 Cb -0.15 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.88 1vdm s VAL 141 CO 0.04 -0.13 0.82 -0.36 0.00 0.00 0.00 175.10 175.46 1vdm s PHE 142 N 1.48 3.44 0.42 5.22 0.40 -1.26 -2.10 117.98 125.57 1vdm s PHE 142 Ca 0.01 1.42 0.27 0.00 -0.60 0.00 0.00 56.93 58.03 1vdm s PHE 142 Cb -0.19 -2.68 1.37 0.00 0.51 0.00 0.00 43.02 42.03 1vdm s PHE 142 CO 0.04 0.09 1.63 -1.35 0.70 0.00 0.00 175.22 176.33 1vdm h PRO 143 N 2.46 0.11 0.00 0.24 0.11 -1.90 0.45 132.00 133.48 1vdm h PRO 143 Ca -0.48 -0.01 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 0.64 0.07 0.00 -2.67 -0.21 0.00 0.00 178.00 175.83 1vdm n TRP 144 N -4.78 0.00 -3.14 0.65 2.14 -1.26 -4.82 117.44 106.23 1vdm n TRP 144 Ca 0.36 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.69 1vdm n TRP 144 Cb 1.35 -0.35 -0.00 0.00 -0.81 0.00 0.00 31.31 31.49 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 -2.71 3.41 0.21 -2.67 2.02 0.16 -5.08 118.70 114.05 1vdm s GLU 145 Ca 0.23 -0.24 -0.23 0.00 0.02 0.00 0.00 54.97 54.75 1vdm s GLU 145 Cb 0.20 -2.58 -0.08 0.00 0.10 0.00 0.00 34.13 31.76 1vdm s GLU 145 CO 0.47 -0.01 0.78 -1.21 0.02 0.00 0.00 175.26 175.31 1vdm s GLU 146 N -4.46 4.44 -0.21 1.61 0.41 -1.26 -4.85 118.70 114.37 1vdm s GLU 146 Ca 0.43 1.06 -0.29 0.00 -0.41 0.00 0.00 54.97 55.76 1vdm s GLU 146 Cb -0.10 -3.04 -0.02 0.00 -1.78 0.00 0.00 34.13 29.19 1vdm s GLU 146 CO 0.38 0.46 1.55 -0.06 -0.49 0.00 0.00 175.26 177.11 1vdm s PHE 147 N -1.37 2.22 0.34 1.61 0.40 -1.26 -4.97 117.98 114.95 1vdm s PHE 147 Ca 0.41 0.58 -0.29 0.00 -0.60 0.00 0.00 56.93 57.03 1vdm s PHE 147 Cb -0.20 -3.93 -0.11 0.00 0.51 0.00 0.00 43.02 39.29 1vdm s PHE 147 CO 0.24 -2.79 1.42 -2.14 0.70 0.00 0.00 175.22 172.65 1vdm s PRO 148 N 4.46 4.22 -0.13 0.24 0.02 -1.26 -5.02 135.00 137.54 1vdm s PRO 148 Ca 0.68 2.41 -0.00 0.00 0.02 0.00 0.00 61.00 64.11 1vdm s PRO 148 Cb -0.24 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.23 1vdm s PRO 148 CO 0.27 -0.40 -0.11 0.08 -0.33 0.00 0.00 177.00 176.51 1vdm s VAL 149 N -0.91 3.21 -0.33 3.83 1.01 -1.26 -5.09 120.40 120.86 1vdm s VAL 149 Ca 0.53 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1vdm s VAL 149 Cb -0.44 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1vdm s VAL 149 CO 0.56 0.53 0.56 -0.63 0.00 0.00 0.00 175.10 176.12 1vdm s ILE 150 N 0.22 4.98 -0.01 2.22 1.09 -1.26 -5.06 121.20 123.39 1vdm s ILE 150 Ca -0.07 0.59 0.04 0.00 -1.10 0.00 0.00 60.65 60.10 1vdm s ILE 150 Cb -0.15 -3.97 -0.03 0.00 -1.06 0.00 0.00 42.46 37.25 1vdm s ILE 150 CO 0.05 -0.17 -0.11 -1.61 -0.10 0.00 0.00 174.94 173.00 1vdm s GLU 151 N 2.49 2.46 0.47 2.79 2.02 -1.26 -5.09 118.70 122.57 1vdm s GLU 151 Ca 0.22 -0.76 -0.24 0.00 0.02 0.00 0.00 54.97 54.21 1vdm s GLU 151 Cb -0.15 -2.42 -0.08 0.00 0.10 0.00 0.00 34.13 31.58 1vdm s GLU 151 CO 0.13 0.60 1.23 1.63 0.02 0.00 0.00 175.26 178.86 1vdm n LYS 152 N 1.78 1.71 0.00 1.61 5.02 -1.26 -5.36 118.16 121.66 1vdm n LYS 152 Ca -0.16 0.62 0.02 0.00 -2.02 0.00 0.00 58.31 56.77 1vdm n LYS 152 Cb 0.52 -2.36 0.13 0.00 -0.02 0.00 0.00 35.03 33.30 1vdm n LYS 152 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97