#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 0.07 -3.31 7.83 5.19 -2.05 -3.43 116.42 120.71 1vdm h ASP 2 Ca 0.00 -0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.97 1vdm h ASP 2 Cb 0.00 -0.02 -0.14 0.00 0.18 0.00 0.00 39.33 39.35 1vdm h ASP 2 CO 0.00 0.05 -0.71 -0.54 -3.12 0.00 0.00 179.24 174.91 1vdm s LYS 3 N -5.12 1.33 -0.24 3.56 1.02 -1.26 -3.98 119.74 115.06 1vdm s LYS 3 Ca -0.05 -1.61 -0.05 0.00 0.02 0.00 0.00 55.97 54.27 1vdm s LYS 3 Cb 0.18 -1.02 -0.01 0.00 -0.52 0.00 0.00 37.83 36.47 1vdm s LYS 3 CO 0.69 0.12 0.00 0.08 -0.92 0.00 0.00 175.35 175.32 1vdm s VAL 4 N -3.07 3.63 -0.97 3.17 1.01 0.46 -4.97 120.40 119.66 1vdm s VAL 4 Ca 0.23 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1vdm s VAL 4 Cb 0.01 -2.72 0.25 0.00 0.00 0.00 0.00 36.38 33.92 1vdm s VAL 4 CO 0.07 0.33 0.92 -0.31 0.00 0.00 0.00 175.10 176.11 1vdm s TYR 5 N 1.50 4.03 0.30 5.22 1.51 -1.26 -0.33 117.35 128.32 1vdm s TYR 5 Ca 0.05 -2.64 -0.29 0.00 -1.01 0.00 0.00 57.07 53.17 1vdm s TYR 5 Cb -0.15 -3.65 -0.11 0.00 -0.11 0.00 0.00 41.96 37.94 1vdm s TYR 5 CO -0.01 -0.90 1.51 -0.51 -1.11 0.00 0.00 175.55 174.53 1vdm s LEU 6 N -0.93 4.36 0.64 -1.29 1.43 -1.10 -5.00 118.68 116.78 1vdm s LEU 6 Ca 0.27 2.88 -0.06 0.00 -1.03 0.00 0.00 54.13 56.19 1vdm s LEU 6 Cb -0.10 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.51 1vdm s LEU 6 CO -0.09 -0.82 0.94 0.42 0.23 0.00 0.00 176.35 177.03 1vdm s THR 7 N -0.33 2.95 0.20 5.49 -4.23 -1.26 -3.52 115.64 114.94 1vdm s THR 7 Ca 0.59 -0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.82 1vdm s THR 7 Cb -0.45 -3.21 0.12 0.00 1.34 0.00 0.00 72.50 70.29 1vdm s THR 7 CO 0.50 -0.22 1.85 -0.50 -0.54 0.00 0.00 174.62 175.72 1vdm h TRP 8 N -0.35 0.87 -0.48 3.99 4.06 -1.96 -1.76 115.95 120.32 1vdm h TRP 8 Ca -0.45 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.47 1vdm h TRP 8 Cb 1.29 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 29.13 1vdm h TRP 8 CO 0.40 0.57 0.14 2.35 -3.56 0.00 0.00 178.44 178.34 1vdm h TRP 9 N 0.92 0.79 -0.47 0.49 7.01 -1.98 0.30 115.95 123.02 1vdm h TRP 9 Ca 0.25 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 61.17 1vdm h TRP 9 Cb -0.07 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.73 1vdm h TRP 9 CO -0.02 0.70 0.30 1.96 -2.79 0.00 0.00 178.44 178.59 1vdm h GLN 10 N 0.65 0.59 -0.58 2.65 4.20 -1.89 0.21 115.11 120.95 1vdm h GLN 10 Ca 0.15 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1vdm h GLN 10 Cb 0.29 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1vdm h GLN 10 CO -0.00 0.39 0.21 0.28 -0.67 0.00 0.00 178.83 179.04 1vdm h VAL 11 N 0.61 1.23 -0.64 -0.54 2.07 -1.08 -1.13 116.25 116.76 1vdm h VAL 11 Ca 0.18 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1vdm h VAL 11 Cb -0.04 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1vdm h VAL 11 CO -0.05 0.28 0.42 0.44 0.02 0.00 0.00 177.57 178.68 1vdm h ASP 12 N 0.80 0.74 -0.75 0.57 3.32 0.46 0.60 116.42 122.16 1vdm h ASP 12 Ca 0.19 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1vdm h ASP 12 Cb 0.23 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1vdm h ASP 12 CO -0.01 0.54 0.24 0.03 -1.72 0.00 0.00 179.24 178.31 1vdm h ARG 13 N 0.87 1.16 -0.16 3.56 2.47 -0.44 -1.12 114.38 120.72 1vdm h ARG 13 Ca 0.23 -0.25 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1vdm h ARG 13 Cb -0.10 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.04 1vdm h ARG 13 CO -0.05 0.98 0.05 0.00 0.56 0.00 0.00 179.97 181.51 1vdm h ALA 14 N 1.12 0.18 -0.48 0.04 0.00 -0.47 -0.75 119.26 118.90 1vdm h ALA 14 Ca 0.24 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1vdm h ALA 14 Cb 0.31 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1vdm h ALA 14 CO -0.01 -0.39 0.25 0.82 0.00 0.00 0.00 179.25 179.93 1vdm h ILE 15 N 0.13 0.98 -0.75 0.00 2.04 -0.54 0.13 117.51 119.49 1vdm h ILE 15 Ca 0.07 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1vdm h ILE 15 Cb 0.05 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1vdm h ILE 15 CO -0.08 0.09 0.49 -0.26 0.00 0.00 0.00 178.15 178.39 1vdm h PHE 16 N 0.50 0.92 -0.35 1.37 0.04 -0.86 0.14 116.94 118.70 1vdm h PHE 16 Ca 0.21 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 1vdm h PHE 16 Cb 0.10 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1vdm h PHE 16 CO -0.09 0.57 0.18 0.00 -0.60 0.00 0.00 178.31 178.36 1vdm h ALA 17 N 1.29 0.45 -0.33 2.45 0.00 -0.51 -1.65 119.26 120.96 1vdm h ALA 17 Ca 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1vdm h ALA 17 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1vdm h ALA 17 CO -0.08 -0.00 0.15 -0.07 0.00 0.00 0.00 179.25 179.25 1vdm h LEU 18 N 0.43 0.43 -0.74 0.00 3.38 -0.59 -2.79 115.31 115.44 1vdm h LEU 18 Ca 0.12 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.07 1vdm h LEU 18 Cb 0.10 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 1vdm h LEU 18 CO -0.02 0.45 0.35 0.00 0.09 0.00 0.00 178.44 179.32 1vdm h ALA 19 N 1.00 1.04 -0.77 1.53 0.00 -0.52 -1.02 119.26 120.52 1vdm h ALA 19 Ca 0.11 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1vdm h ALA 19 Cb 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1vdm h ALA 19 CO -0.01 -0.09 0.44 1.49 0.00 0.00 0.00 179.25 181.08 1vdm h GLU 20 N 0.57 1.06 -0.03 0.00 4.57 -1.05 -1.82 114.58 117.88 1vdm h GLU 20 Ca 0.38 -0.11 -0.18 0.00 -1.18 0.00 0.00 59.36 58.28 1vdm h GLU 20 Cb 0.47 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1vdm h GLU 20 CO -0.32 0.76 -0.77 0.87 -1.18 0.00 0.00 179.01 178.38 1vdm h LYS 21 N 1.07 0.24 0.00 1.92 1.79 -1.04 -3.19 116.57 117.36 1vdm h LYS 21 Ca 0.28 -0.22 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 1vdm h LYS 21 Cb -0.00 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 1vdm h LYS 21 CO -0.05 0.90 -0.40 -0.07 -1.08 0.00 0.00 179.45 178.74 1vdm h LEU 22 N 0.15 0.00 -1.96 2.94 3.38 -0.81 -3.09 115.31 115.93 1vdm h LEU 22 Ca -0.03 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.19 1vdm h LEU 22 Cb 1.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 1vdm h LEU 22 CO 0.12 0.40 0.63 0.03 0.09 0.00 0.00 178.44 179.71 1vdm h ARG 23 N 0.00 0.03 -0.04 1.13 3.08 -1.33 0.48 114.38 117.74 1vdm h ARG 23 Ca -0.00 -0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 1vdm h ARG 23 Cb 0.87 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1vdm h ARG 23 CO 0.05 0.02 -0.80 1.49 -1.07 0.00 0.00 179.97 179.66 1vdm h GLU 24 N 0.03 0.32 0.00 0.04 4.22 -1.73 -3.19 114.58 114.27 1vdm h GLU 24 Ca 0.42 -0.29 -0.08 0.00 0.08 0.00 0.00 59.36 59.49 1vdm h GLU 24 Cb 1.64 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 1vdm h GLU 24 CO -0.02 0.96 -0.37 -0.92 -2.18 0.00 0.00 179.01 176.49 1vdm h TYR 25 N 0.20 0.00 -5.81 0.92 3.20 -0.22 -3.48 116.97 111.78 1vdm h TYR 25 Ca -0.04 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.67 1vdm h TYR 25 Cb 1.39 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.67 1vdm h TYR 25 CO 0.04 0.37 -0.66 1.63 -1.64 0.00 0.00 178.16 177.90 1vdm n LYS 26 N -3.39 -1.95 -2.53 1.82 5.02 -0.64 -4.93 118.16 111.55 1vdm n LYS 26 Ca 0.01 1.65 -0.38 0.00 -2.02 0.00 0.00 58.31 57.57 1vdm n LYS 26 Cb 0.56 -4.34 -0.04 0.00 -0.02 0.00 0.00 35.03 31.18 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 -2.95 4.34 -0.15 1.97 0.02 -1.26 -4.84 135.00 132.13 1vdm s PRO 27 Ca 0.20 1.61 -0.11 0.00 0.02 0.00 0.00 61.00 62.72 1vdm s PRO 27 Cb -0.04 -2.78 -0.24 0.00 0.02 0.00 0.00 34.50 31.47 1vdm s PRO 27 CO 0.81 -0.00 0.28 -0.25 -0.33 0.00 0.00 177.00 177.51 1vdm n ASP 28 N 0.39 2.05 -3.98 2.53 10.43 0.67 -4.98 116.55 123.67 1vdm n ASP 28 Ca 0.03 0.25 -0.11 0.00 2.57 0.00 0.00 54.79 57.53 1vdm n ASP 28 Cb 0.48 -0.87 -0.12 0.00 1.84 0.00 0.00 41.12 42.45 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 -2.50 0.21 -0.15 2.53 1.01 -1.17 -4.22 120.40 116.11 1vdm s VAL 29 Ca -0.25 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1vdm s VAL 29 Cb 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 1vdm s VAL 29 CO 0.71 -0.36 -0.11 -0.63 0.00 0.00 0.00 175.10 174.71 1vdm s ILE 30 N -1.14 3.19 -0.35 2.22 1.01 -0.96 -2.23 121.20 122.94 1vdm s ILE 30 Ca -0.11 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1vdm s ILE 30 Cb -0.08 -2.36 0.07 0.00 0.01 0.00 0.00 42.46 40.09 1vdm s ILE 30 CO -0.00 0.51 0.10 -0.63 0.00 0.00 0.00 174.94 174.91 1vdm s ILE 31 N 0.53 3.32 -0.13 2.92 1.01 0.08 -1.38 121.20 127.55 1vdm s ILE 31 Ca -0.07 -1.52 -0.20 0.00 0.00 0.00 0.00 60.65 58.86 1vdm s ILE 31 Cb -0.15 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1vdm s ILE 31 CO 0.04 -0.31 0.56 -0.83 0.00 0.00 0.00 174.94 174.40 1vdm s GLY 32 N 1.50 2.35 0.27 6.18 0.00 -0.82 -0.84 107.32 115.95 1vdm s GLY 32 Ca -0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.28 1vdm s GLY 32 CO -0.01 1.00 0.94 0.14 0.00 0.00 0.00 173.10 175.17 1vdm s VAL 33 N 1.02 4.12 0.06 1.40 1.01 -0.63 -2.67 120.40 124.71 1vdm s VAL 33 Ca 0.29 2.00 -0.09 0.00 0.00 0.00 0.00 61.98 64.17 1vdm s VAL 33 Cb -0.16 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.94 1vdm s VAL 33 CO 0.12 0.38 0.37 0.00 0.00 0.00 0.00 175.10 175.98 1vdm s ALA 34 N -1.32 3.75 -1.33 5.51 0.00 -0.35 -0.17 121.76 127.85 1vdm s ALA 34 Ca 0.44 -0.41 0.17 0.00 0.00 0.00 0.00 51.96 52.15 1vdm s ALA 34 Cb -0.24 -2.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.59 1vdm s ALA 34 CO 0.29 0.58 0.84 0.54 0.00 0.00 0.00 175.76 178.01 1vdm n ARG 35 N 0.99 1.59 -0.03 0.00 1.74 -1.26 -4.52 116.66 115.17 1vdm n ARG 35 Ca -0.09 -0.58 0.00 0.00 -0.77 0.00 0.00 57.85 56.42 1vdm n ARG 35 Cb 0.52 -1.30 0.31 0.00 -1.02 0.00 0.00 32.46 30.97 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 3.77 0.64 0.90 -0.13 0.00 -1.97 -2.91 103.07 103.37 1vdm h GLY 36 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1vdm h GLY 36 CO 0.00 0.32 -0.28 0.61 0.00 0.00 0.00 176.54 177.18 1vdm n GLY 37 N -1.05 -1.04 0.33 4.60 0.00 0.76 -4.12 105.19 104.67 1vdm n GLY 37 Ca 0.03 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 0.46 -0.66 -0.29 0.99 3.38 -1.50 -0.59 115.31 117.08 1vdm h LEU 38 Ca 0.00 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1vdm h LEU 38 Cb 0.47 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1vdm h LEU 38 CO 0.00 -0.37 0.07 0.40 0.09 0.00 0.00 178.44 178.63 1vdm h ILE 39 N -0.94 0.89 -0.83 1.22 2.04 -1.79 -0.69 117.51 117.41 1vdm h ILE 39 Ca -0.08 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1vdm h ILE 39 Cb 0.65 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1vdm h ILE 39 CO 0.13 0.03 0.54 -0.65 0.00 0.00 0.00 178.15 178.20 1vdm h PRO 40 N 0.19 1.02 -0.21 2.37 0.11 -1.79 -2.41 132.00 131.28 1vdm h PRO 40 Ca 0.13 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 1vdm h PRO 40 Cb 0.13 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 1vdm h PRO 40 CO -0.16 0.67 -0.15 0.00 -0.21 0.00 0.00 178.00 178.16 1vdm h ALA 41 N 1.34 1.35 0.28 -0.75 0.00 -0.55 -1.57 119.26 119.37 1vdm h ALA 41 Ca 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1vdm h ALA 41 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1vdm h ALA 41 CO -0.11 0.44 -0.13 0.28 0.00 0.00 0.00 179.25 179.72 1vdm h VAL 42 N 0.33 0.76 -0.13 0.00 2.07 -0.63 0.22 116.25 118.87 1vdm h VAL 42 Ca 0.06 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1vdm h VAL 42 Cb 0.46 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1vdm h VAL 42 CO 0.03 0.06 0.08 0.03 0.02 0.00 0.00 177.57 177.78 1vdm h ARG 43 N -0.51 0.18 0.00 1.57 3.08 -1.41 -1.90 114.38 115.38 1vdm h ARG 43 Ca -0.04 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1vdm h ARG 43 Cb 0.38 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1vdm h ARG 43 CO 0.06 0.16 -0.09 -0.07 -1.07 0.00 0.00 179.97 178.97 1vdm h LEU 44 N 0.14 0.00 0.51 3.04 3.38 -1.25 -0.14 115.31 121.00 1vdm h LEU 44 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1vdm h LEU 44 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1vdm h LEU 44 CO -0.01 0.09 -0.24 -1.28 0.09 0.00 0.00 178.44 177.09 1vdm h SER 45 N 0.00 -0.58 0.36 -0.43 0.87 0.21 -1.48 113.55 112.50 1vdm h SER 45 Ca -0.00 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1vdm h SER 45 Cb 0.17 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1vdm h SER 45 CO 0.01 -0.36 -0.17 -0.74 -0.53 0.00 0.00 176.83 175.04 1vdm h HIS 46 N -0.75 -0.45 -0.73 2.24 -0.00 -1.01 -2.35 115.15 112.10 1vdm h HIS 46 Ca -0.07 -0.01 0.16 0.00 -0.00 0.00 0.00 60.37 60.45 1vdm h HIS 46 Cb 0.55 0.15 -0.13 0.00 -0.00 0.00 0.00 27.41 27.99 1vdm h HIS 46 CO -0.03 -0.13 0.00 0.82 -0.00 0.00 0.00 177.93 178.59 1vdm h ILE 47 N -0.79 0.37 0.00 6.26 2.04 -1.08 -0.95 117.51 123.37 1vdm h ILE 47 Ca -0.05 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1vdm h ILE 47 Cb 0.52 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1vdm h ILE 47 CO 0.08 0.02 0.00 0.18 0.00 0.00 0.00 178.15 178.43 1vdm n LEU 48 N -5.33 1.66 -0.02 1.44 4.77 -0.56 -4.72 117.00 114.23 1vdm n LEU 48 Ca 0.12 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1vdm n LEU 48 Cb 0.44 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1vdm n LEU 48 CO 0.06 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1vdm n GLY 49 N 0.32 1.50 3.94 -0.72 0.00 -0.44 -4.49 105.19 105.30 1vdm n GLY 49 Ca 0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 0.38 -1.17 -4.83 1.61 9.92 -0.71 -4.94 116.55 116.82 1vdm n ASP 50 Ca 0.00 -0.96 -0.33 0.00 -0.53 0.00 0.00 54.79 52.97 1vdm n ASP 50 Cb 0.10 -3.24 -0.06 0.00 -0.64 0.00 0.00 41.12 37.28 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 -3.78 4.45 0.58 0.53 -4.36 -1.06 -4.97 121.20 112.59 1vdm s ILE 51 Ca 0.15 1.37 -0.18 0.00 -0.26 0.00 0.00 60.65 61.73 1vdm s ILE 51 Cb -0.08 -3.62 -0.08 0.00 1.25 0.00 0.00 42.46 39.93 1vdm s ILE 51 CO 0.88 -0.35 0.50 -0.81 0.24 0.00 0.00 174.94 175.40 1vdm n PRO 52 N -0.72 0.48 -3.92 0.37 -0.04 -1.26 -4.79 135.00 125.11 1vdm n PRO 52 Ca 0.06 0.19 -0.28 0.00 -0.04 0.00 0.00 63.50 63.43 1vdm n PRO 52 Cb 0.54 -1.69 -0.16 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.82 1.61 0.22 1.53 2.96 -1.26 -2.25 118.68 122.30 1vdm s LEU 53 Ca 0.68 -0.59 0.06 0.00 -0.22 0.00 0.00 54.13 54.06 1vdm s LEU 53 Cb -0.44 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 1vdm s LEU 53 CO 0.55 -0.15 0.19 -0.54 -1.32 0.00 0.00 176.35 175.08 1vdm s LYS 54 N 1.60 2.98 0.07 1.98 1.02 -0.48 -5.01 119.74 121.90 1vdm s LYS 54 Ca 0.02 -0.96 0.07 0.00 0.02 0.00 0.00 55.97 55.12 1vdm s LYS 54 Cb -0.14 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1vdm s LYS 54 CO -0.08 0.43 -0.18 0.08 -0.92 0.00 0.00 175.35 174.68 1vdm s VAL 55 N -1.98 1.49 -0.06 3.17 1.01 -1.26 -1.94 120.40 120.83 1vdm s VAL 55 Ca 0.32 -1.33 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1vdm s VAL 55 Cb -0.09 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1vdm s VAL 55 CO 0.25 -0.02 0.14 -0.51 0.00 0.00 0.00 175.10 174.95 1vdm s ILE 56 N -1.05 -0.02 -0.13 2.22 2.07 -1.09 -4.12 121.20 119.08 1vdm s ILE 56 Ca 0.04 0.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.35 1vdm s ILE 56 Cb -0.09 -0.21 0.03 0.00 0.13 0.00 0.00 42.46 42.32 1vdm s ILE 56 CO 0.03 0.03 -0.07 -0.62 -1.91 0.00 0.00 174.94 172.39 1vdm s ASP 57 N 0.51 2.44 -0.18 4.50 3.68 -0.68 -1.21 116.67 125.73 1vdm s ASP 57 Ca -0.04 -0.44 -0.02 0.00 2.13 0.00 0.00 52.55 54.19 1vdm s ASP 57 Cb -0.05 -0.90 -0.00 0.00 -1.45 0.00 0.00 42.92 40.52 1vdm s ASP 57 CO -0.02 -0.14 -0.10 -0.69 0.13 0.00 0.00 175.17 174.35 1vdm s VAL 58 N 1.66 3.00 0.22 1.11 1.01 -1.26 -0.94 120.40 125.20 1vdm s VAL 58 Ca 0.04 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 61.48 1vdm s VAL 58 Cb -0.13 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1vdm s VAL 58 CO -0.08 0.48 -0.16 -0.54 0.00 0.00 0.00 175.10 174.80 1vdm s LYS 59 N 1.07 1.81 -0.10 2.72 3.01 -0.98 -4.98 119.74 122.29 1vdm s LYS 59 Ca 0.00 -1.49 0.02 0.00 -1.01 0.00 0.00 55.97 53.50 1vdm s LYS 59 Cb -0.15 -1.96 0.01 0.00 -1.01 0.00 0.00 37.83 34.73 1vdm s LYS 59 CO -0.02 0.39 -0.17 -0.06 0.51 0.00 0.00 175.35 176.00 1vdm s PHE 60 N -1.93 2.05 0.11 3.18 0.40 -1.26 -1.51 117.98 119.01 1vdm s PHE 60 Ca 0.25 -0.92 0.10 0.00 -0.60 0.00 0.00 56.93 55.76 1vdm s PHE 60 Cb -0.07 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1vdm s PHE 60 CO 0.14 -0.44 -0.22 0.71 0.70 0.00 0.00 175.22 176.10 1vdm s TYR 61 N 0.80 2.44 0.66 0.36 1.51 -1.14 -5.00 117.35 116.98 1vdm s TYR 61 Ca -0.10 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1vdm s TYR 61 Cb -0.16 -1.33 0.09 0.00 -0.11 0.00 0.00 41.96 40.46 1vdm s TYR 61 CO 0.01 0.34 0.92 0.21 -1.11 0.00 0.00 175.55 175.92 1vdm s LYS 62 N -1.98 2.01 0.00 -0.62 2.47 -1.26 -2.69 119.74 117.68 1vdm s LYS 62 Ca 0.16 -0.91 0.00 0.00 -1.56 0.00 0.00 55.97 53.66 1vdm s LYS 62 Cb -0.10 -2.36 0.00 0.00 -1.46 0.00 0.00 37.83 33.90 1vdm s LYS 62 CO 0.08 -1.19 0.00 0.41 0.16 0.00 0.00 175.35 174.81 1vdm n GLY 63 N -2.68 1.55 0.17 5.54 0.00 -1.26 -4.92 105.19 103.59 1vdm n GLY 63 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 2.60 -0.10 3.56 -0.02 0.00 -1.26 -5.24 105.19 104.74 1vdm n GLY 68 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.46 0.53 0.25 1.61 2.12 -1.26 -5.03 118.70 115.46 1vdm s GLU 69 Ca 0.00 1.30 0.09 0.00 0.36 0.00 0.00 54.97 56.73 1vdm s GLU 69 Cb 0.00 0.78 -0.05 0.00 0.26 0.00 0.00 34.13 35.12 1vdm s GLU 69 CO 0.00 -0.22 -0.16 0.15 -0.54 0.00 0.00 175.26 174.49 1vdm s LYS 70 N 2.83 1.52 0.26 4.30 1.02 -1.09 -4.96 119.74 123.62 1vdm s LYS 70 Ca -0.03 -1.70 -0.26 0.00 0.02 0.00 0.00 55.97 54.00 1vdm s LYS 70 Cb -0.11 -1.42 -0.09 0.00 -0.52 0.00 0.00 37.83 35.68 1vdm s LYS 70 CO -0.19 0.23 0.89 -1.25 -0.92 0.00 0.00 175.35 174.11 1vdm s PRO 71 N -3.59 4.63 -0.12 -1.68 0.04 -1.26 -2.87 135.00 130.14 1vdm s PRO 71 Ca 0.27 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 1vdm s PRO 71 Cb -0.02 -3.03 0.03 0.00 0.04 0.00 0.00 34.50 31.53 1vdm s PRO 71 CO 0.11 0.41 -0.04 0.08 0.04 0.00 0.00 177.00 177.61 1vdm s VAL 72 N -1.40 0.81 -1.08 -0.36 1.01 -0.57 -5.01 120.40 113.80 1vdm s VAL 72 Ca 0.44 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.92 1vdm s VAL 72 Cb -0.21 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.25 1vdm s VAL 72 CO 0.26 0.22 1.56 -0.63 0.00 0.00 0.00 175.10 176.51 1vdm s ILE 73 N 1.78 3.93 0.54 2.22 1.01 -1.26 -2.32 121.20 127.09 1vdm s ILE 73 Ca 0.03 -1.00 0.20 0.00 0.00 0.00 0.00 60.65 59.88 1vdm s ILE 73 Cb -0.14 -5.02 0.31 0.00 0.01 0.00 0.00 42.46 37.62 1vdm s ILE 73 CO -0.07 -1.88 2.14 0.74 0.00 0.00 0.00 174.94 175.87 1vdm h THR 74 N 6.53 0.86 -2.39 2.92 2.02 -1.42 -3.36 112.91 118.07 1vdm h THR 74 Ca 0.25 0.00 -0.44 0.00 0.77 0.00 0.00 66.41 66.99 1vdm h THR 74 Cb 0.98 0.95 -0.36 0.00 -1.74 0.00 0.00 68.15 67.97 1vdm h THR 74 CO 1.42 0.00 -0.73 -0.63 0.37 0.00 0.00 175.52 175.95 1vdm s ILE 75 N -4.98 -0.19 0.90 3.11 1.01 -1.08 -4.91 121.20 115.06 1vdm s ILE 75 Ca -0.05 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 1vdm s ILE 75 Cb 0.17 -0.96 0.13 0.00 0.01 0.00 0.00 42.46 41.81 1vdm s ILE 75 CO 0.66 -0.66 1.09 -2.16 0.00 0.00 0.00 174.94 173.87 1vdm s PRO 76 N 1.90 1.25 0.09 2.79 0.04 -1.26 -1.68 135.00 138.14 1vdm s PRO 76 Ca 0.12 0.84 -0.27 0.00 0.04 0.00 0.00 61.00 61.73 1vdm s PRO 76 Cb -0.16 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1vdm s PRO 76 CO -0.24 -2.25 0.85 0.42 0.04 0.00 0.00 177.00 175.82 1vdm s ILE 77 N -2.92 4.57 -0.10 0.56 1.01 -1.26 -4.72 121.20 118.34 1vdm s ILE 77 Ca 0.63 1.82 -0.22 0.00 0.00 0.00 0.00 60.65 62.89 1vdm s ILE 77 Cb -0.18 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 1vdm s ILE 77 CO 0.57 0.38 0.63 -2.28 0.00 0.00 0.00 174.94 174.23 1vdm s HIS 78 N -0.24 3.53 0.00 3.97 5.65 -1.26 -4.95 115.29 121.98 1vdm s HIS 78 Ca 0.41 1.10 0.00 0.00 0.25 0.00 0.00 55.06 56.82 1vdm s HIS 78 Cb -0.22 -2.73 0.00 0.00 -1.18 0.00 0.00 32.58 28.45 1vdm s HIS 78 CO 0.26 0.07 0.00 0.41 -0.65 0.00 0.00 174.74 174.83 1vdm n GLY 79 N 3.26 -1.60 3.27 1.59 0.00 -1.26 -4.97 105.19 105.48 1vdm n GLY 79 Ca -0.03 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 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 -4.00 2.32 -0.32 1.61 -4.77 -1.26 -4.96 116.67 105.28 1vdm s ASP 80 Ca 0.00 -0.75 0.07 0.00 -3.30 0.00 0.00 52.55 48.57 1vdm s ASP 80 Cb 0.00 -0.11 0.46 0.00 -1.09 0.00 0.00 42.92 42.18 1vdm s ASP 80 CO 0.00 -0.04 1.34 0.18 0.70 0.00 0.00 175.17 177.36 1vdm n LEU 81 N 0.76 4.70 -4.74 2.11 4.77 -0.33 -5.05 117.00 119.23 1vdm n LEU 81 Ca -0.17 -4.37 -0.42 0.00 -0.03 0.00 0.00 56.01 51.03 1vdm n LEU 81 Cb 0.55 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1vdm n LEU 81 CO 0.25 1.76 1.14 -0.54 -1.33 0.00 0.00 177.39 178.67 1vdm s LYS 82 N -3.50 4.25 -1.67 3.23 1.02 -0.95 -2.83 119.74 119.30 1vdm s LYS 82 Ca 0.49 2.32 0.00 0.00 0.02 0.00 0.00 55.97 58.80 1vdm s LYS 82 Cb 0.41 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1vdm s LYS 82 CO 0.01 -0.48 0.00 -3.47 -0.92 0.00 0.00 175.35 170.49 1vdm n ASP 83 N 2.80 -4.53 -4.71 2.83 2.03 -1.25 -4.83 116.55 108.88 1vdm n ASP 83 Ca 0.09 0.39 -0.32 0.00 0.52 0.00 0.00 54.79 55.47 1vdm n ASP 83 Cb 0.40 -3.98 -0.08 0.00 -0.72 0.00 0.00 41.12 36.74 1vdm n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1vdm s LYS 84 N -3.30 2.77 -0.35 -0.67 1.02 -1.13 -4.75 119.74 113.33 1vdm s LYS 84 Ca 0.00 -0.67 -0.22 0.00 0.02 0.00 0.00 55.97 55.10 1vdm s LYS 84 Cb 0.00 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1vdm s LYS 84 CO 0.00 0.60 0.71 1.03 -0.92 0.00 0.00 175.35 176.77 1vdm s ARG 85 N -1.90 3.75 0.08 1.68 0.52 -1.26 -1.38 118.95 120.44 1vdm s ARG 85 Ca 0.23 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.67 1vdm s ARG 85 Cb -0.12 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 1vdm s ARG 85 CO 0.15 -0.77 0.23 0.08 0.02 0.00 0.00 175.30 175.01 1vdm s VAL 86 N 2.89 5.37 -0.16 3.52 1.01 0.44 -0.23 120.40 133.22 1vdm s VAL 86 Ca 0.28 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1vdm s VAL 86 Cb -0.14 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1vdm s VAL 86 CO 0.15 0.08 0.04 -0.69 0.00 0.00 0.00 175.10 174.68 1vdm s VAL 87 N -1.57 0.41 -0.12 2.92 1.01 -0.95 -1.44 120.40 120.66 1vdm s VAL 87 Ca 0.35 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 1vdm s VAL 87 Cb -0.12 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1vdm s VAL 87 CO 0.28 -0.11 0.67 -0.63 0.00 0.00 0.00 175.10 175.31 1vdm s ILE 88 N 1.92 5.04 -0.13 2.22 1.01 0.84 -0.74 121.20 131.36 1vdm s ILE 88 Ca 0.01 1.34 -0.01 0.00 0.00 0.00 0.00 60.65 61.99 1vdm s ILE 88 Cb -0.16 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 1vdm s ILE 88 CO -0.07 0.20 -0.11 -0.69 0.00 0.00 0.00 174.94 174.27 1vdm s VAL 89 N 1.18 3.23 0.10 2.92 1.01 -0.02 -0.57 120.40 128.24 1vdm s VAL 89 Ca 0.34 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1vdm s VAL 89 Cb -0.17 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1vdm s VAL 89 CO 0.15 0.52 0.11 -0.62 0.00 0.00 0.00 175.10 175.25 1vdm s ASP 90 N 0.34 0.26 -0.06 3.32 -1.08 -0.75 -1.61 116.67 117.09 1vdm s ASP 90 Ca -0.09 -0.92 -0.24 0.00 -0.52 0.00 0.00 52.55 50.78 1vdm s ASP 90 Cb -0.16 0.30 -0.25 0.00 -1.46 0.00 0.00 42.92 41.35 1vdm s ASP 90 CO 0.05 -0.72 0.97 -2.24 0.52 0.00 0.00 175.17 173.75 1vdm h ASP 91 N 2.87 0.25 -3.79 -0.34 -0.00 -1.88 -3.14 116.42 110.40 1vdm h ASP 91 Ca -0.34 -0.84 -0.17 0.00 -0.00 0.00 0.00 57.03 55.68 1vdm h ASP 91 Cb 1.19 -0.08 -0.26 0.00 -0.00 0.00 0.00 39.33 40.18 1vdm h ASP 91 CO 0.59 1.07 -0.43 0.54 -0.00 0.00 0.00 179.24 181.01 1vdm s VAL 92 N -2.85 -0.00 -0.91 4.15 0.11 -1.26 -0.98 120.40 118.65 1vdm s VAL 92 Ca -0.16 0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 58.78 1vdm s VAL 92 Cb 0.00 -0.36 0.24 0.00 -1.53 0.00 0.00 36.38 34.73 1vdm s VAL 92 CO 0.76 0.00 0.86 -0.55 -3.33 0.00 0.00 175.10 172.84 1vdm s SER 93 N 0.22 6.88 0.00 3.54 0.15 -0.88 -4.91 113.70 118.70 1vdm s SER 93 Ca -0.01 -2.99 0.00 0.00 0.70 0.00 0.00 55.95 53.65 1vdm s SER 93 Cb -0.02 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1vdm s SER 93 CO -0.00 -0.47 0.03 -0.67 1.20 0.00 0.00 173.24 173.33 1vdm n ASP 94 N 3.54 0.00 0.03 5.45 4.64 -1.26 -2.38 116.55 126.57 1vdm n ASP 94 Ca 0.17 0.03 -0.22 0.00 -1.38 0.00 0.00 54.79 53.39 1vdm n ASP 94 Cb 0.44 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.38 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 0.82 0.00 5.18 1.35 -1.91 -3.11 112.91 115.25 1vdm h THR 95 Ca 0.00 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 1vdm h THR 95 Cb 0.00 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1vdm h THR 95 CO 0.00 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 1vdm n GLY 96 N 1.88 0.67 0.09 5.82 0.00 -1.26 -1.36 105.19 111.03 1vdm n GLY 96 Ca -0.28 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 2.50 0.09 -0.35 1.61 2.10 -1.99 -1.37 116.57 119.17 1vdm h LYS 97 Ca 0.00 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.69 1vdm h LYS 97 Cb 0.00 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.27 1vdm h LYS 97 CO 0.00 0.06 0.11 1.15 -2.00 0.00 0.00 179.45 178.77 1vdm h THR 98 N 0.09 0.89 -0.33 0.07 2.02 -1.97 -2.48 112.91 111.20 1vdm h THR 98 Ca 0.07 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1vdm h THR 98 Cb 0.06 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1vdm h THR 98 CO -0.10 0.05 -0.08 -0.07 0.37 0.00 0.00 175.52 175.69 1vdm h LEU 99 N 0.25 0.52 -0.77 2.58 3.38 -1.93 -2.04 115.31 117.30 1vdm h LEU 99 Ca 0.16 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1vdm h LEU 99 Cb 0.14 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1vdm h LEU 99 CO -0.17 0.64 0.51 -0.33 0.09 0.00 0.00 178.44 179.17 1vdm h GLU 100 N 0.50 0.99 0.85 1.13 5.08 -0.80 0.75 114.58 123.08 1vdm h GLU 100 Ca 0.10 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1vdm h GLU 100 Cb 0.44 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1vdm h GLU 100 CO 0.02 0.66 -0.41 0.28 -1.00 0.00 0.00 179.01 178.56 1vdm h VAL 101 N 1.02 0.04 -1.12 3.13 2.07 -1.19 -2.39 116.25 117.81 1vdm h VAL 101 Ca 0.29 -0.15 0.32 0.00 0.82 0.00 0.00 66.70 67.98 1vdm h VAL 101 Cb -0.08 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 29.63 1vdm h VAL 101 CO -0.08 0.00 0.72 0.58 0.02 0.00 0.00 177.57 178.82 1vdm h VAL 102 N -1.28 0.40 -0.10 2.57 2.07 -1.11 0.94 116.25 119.75 1vdm h VAL 102 Ca -0.12 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1vdm h VAL 102 Cb 0.88 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1vdm h VAL 102 CO 0.19 0.05 -0.05 0.40 0.02 0.00 0.00 177.57 178.18 1vdm h ILE 103 N 0.29 1.33 -0.31 4.57 2.04 -0.65 -0.70 117.51 124.08 1vdm h ILE 103 Ca 0.66 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1vdm h ILE 103 Cb 1.83 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.74 1vdm h ILE 103 CO -0.32 0.31 0.20 -0.33 0.00 0.00 0.00 178.15 178.01 1vdm h GLU 104 N -0.16 0.40 -0.97 2.37 5.08 -0.43 0.11 114.58 120.98 1vdm h GLU 104 Ca 0.02 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1vdm h GLU 104 Cb 0.52 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 1vdm h GLU 104 CO 0.02 0.27 0.62 1.49 -1.00 0.00 0.00 179.01 180.41 1vdm h GLU 105 N 0.42 1.09 -0.05 2.33 4.57 -0.89 -0.08 114.58 121.97 1vdm h GLU 105 Ca 0.11 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 58.06 1vdm h GLU 105 Cb -0.04 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.29 1vdm h GLU 105 CO -0.03 0.72 -0.72 0.28 -1.18 0.00 0.00 179.01 178.08 1vdm h VAL 106 N 1.12 1.42 -0.15 0.32 2.07 -0.56 -3.01 116.25 117.47 1vdm h VAL 106 Ca 0.43 -2.23 -0.09 0.00 0.82 0.00 0.00 66.70 65.62 1vdm h VAL 106 Cb 0.19 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1vdm h VAL 106 CO -0.18 0.66 -0.30 0.11 0.02 0.00 0.00 177.57 177.87 1vdm h LYS 107 N 0.17 0.28 -0.85 1.57 1.57 0.19 -2.65 116.57 116.85 1vdm h LYS 107 Ca -0.02 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1vdm h LYS 107 Cb 1.28 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 1vdm h LYS 107 CO 0.11 0.57 0.46 0.87 -0.57 0.00 0.00 179.45 180.89 1vdm h LYS 108 N 0.25 1.18 -0.09 3.15 1.57 -0.91 -0.42 116.57 121.30 1vdm h LYS 108 Ca 0.03 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1vdm h LYS 108 Cb 0.67 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1vdm h LYS 108 CO 0.05 0.87 0.00 1.28 -0.57 0.00 0.00 179.45 181.08 1vdm n LEU 109 N -4.33 0.09 -3.31 2.94 4.77 -1.00 -4.89 117.00 111.26 1vdm n LEU 109 Ca 0.09 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1vdm n LEU 109 Cb 0.10 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1vdm n LEU 109 CO 0.39 0.02 0.14 0.61 -1.33 0.00 0.00 177.39 177.22 1vdm n GLY 110 N 0.28 -1.21 3.77 -0.72 0.00 -0.17 -1.18 105.19 105.96 1vdm n GLY 110 Ca 0.00 0.51 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.11 3.44 0.09 4.61 0.00 -1.23 -2.23 121.76 123.33 1vdm s ALA 111 Ca 0.12 0.26 -0.33 0.00 0.00 0.00 0.00 51.96 52.01 1vdm s ALA 111 Cb -0.03 -2.91 -0.16 0.00 0.00 0.00 0.00 23.12 20.02 1vdm s ALA 111 CO 0.79 0.21 1.60 -0.22 0.00 0.00 0.00 175.76 178.14 1vdm h LYS 112 N 4.98 -0.84 -3.45 0.00 3.64 -1.27 -3.44 116.57 116.19 1vdm h LYS 112 Ca -0.46 0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 58.78 1vdm h LYS 112 Cb 1.21 0.19 -0.27 0.00 -0.41 0.00 0.00 32.23 32.95 1vdm h LYS 112 CO 0.68 -0.56 -0.59 -2.00 -2.27 0.00 0.00 179.45 174.71 1vdm s GLU 113 N -5.99 0.13 -0.08 1.90 2.12 -1.17 -4.98 118.70 110.64 1vdm s GLU 113 Ca -0.17 0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.33 1vdm s GLU 113 Cb 0.05 0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.46 1vdm s GLU 113 CO 0.62 -0.02 -0.08 0.42 -0.54 0.00 0.00 175.26 175.66 1vdm s ILE 114 N 0.11 3.59 -0.01 -3.70 1.01 -1.26 -0.42 121.20 120.51 1vdm s ILE 114 Ca -0.00 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1vdm s ILE 114 Cb -0.01 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.99 1vdm s ILE 114 CO -0.00 0.58 -0.03 -0.75 0.00 0.00 0.00 174.94 174.75 1vdm s LYS 115 N -0.63 0.34 -0.12 2.79 2.47 -0.52 -4.97 119.74 119.08 1vdm s LYS 115 Ca 0.09 -0.08 -0.03 0.00 -1.56 0.00 0.00 55.97 54.39 1vdm s LYS 115 Cb -0.11 -0.37 -0.03 0.00 -1.46 0.00 0.00 37.83 35.85 1vdm s LYS 115 CO 0.02 0.02 -0.00 0.42 0.16 0.00 0.00 175.35 175.96 1vdm s ILE 116 N 0.25 4.23 -0.05 5.43 1.01 -1.26 -0.11 121.20 130.70 1vdm s ILE 116 Ca -0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 1vdm s ILE 116 Cb -0.05 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.62 1vdm s ILE 116 CO -0.01 0.55 0.00 0.00 0.00 0.00 0.00 174.94 175.48 1vdm s ALA 117 N -0.28 0.52 0.22 9.38 0.00 0.26 -0.60 121.76 131.26 1vdm s ALA 117 Ca 0.06 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1vdm s ALA 117 Cb -0.12 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1vdm s ALA 117 CO 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 175.76 175.52 1vdm h LEU 119 N 2.51 0.25 -9.26 0.00 3.38 -1.26 -3.34 115.31 107.59 1vdm h LEU 119 Ca -0.38 -0.92 -0.52 0.00 0.09 0.00 0.00 57.88 56.15 1vdm h LEU 119 Cb 1.22 -0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 1vdm h LEU 119 CO 0.64 1.30 -0.65 0.00 0.09 0.00 0.00 178.44 179.82 1vdm s ALA 120 N -2.36 2.53 -0.03 1.53 0.00 -0.15 -0.55 121.76 122.73 1vdm s ALA 120 Ca -0.18 -2.01 -0.20 0.00 0.00 0.00 0.00 51.96 49.57 1vdm s ALA 120 Cb 0.00 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.41 1vdm s ALA 120 CO 0.75 -0.11 0.43 1.41 0.00 0.00 0.00 175.76 178.24 1vdm s MET 121 N -3.74 0.79 0.03 0.00 1.75 -0.58 -2.06 119.30 115.48 1vdm s MET 121 Ca 0.32 -0.04 0.05 0.00 -1.25 0.00 0.00 55.69 54.77 1vdm s MET 121 Cb 0.05 0.36 -0.03 0.00 2.84 0.00 0.00 34.83 38.05 1vdm s MET 121 CO 0.14 -0.23 -0.12 0.15 -0.65 0.00 0.00 175.02 174.31 1vdm s LYS 122 N -1.27 2.31 0.29 4.11 1.02 -1.00 -2.64 119.74 122.55 1vdm s LYS 122 Ca -0.13 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.04 1vdm s LYS 122 Cb -0.04 -2.34 0.73 0.00 -0.52 0.00 0.00 37.83 35.67 1vdm s LYS 122 CO 0.06 0.57 1.66 -1.35 -0.92 0.00 0.00 175.35 175.37 1vdm h PRO 123 N 4.50 0.27 0.00 -1.68 0.11 -1.91 -2.02 132.00 131.27 1vdm h PRO 123 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1vdm h PRO 123 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1vdm h PRO 123 CO 0.51 0.18 0.00 -2.67 -0.21 0.00 0.00 178.00 175.80 1vdm n TRP 124 N -5.16 0.00 -1.67 0.65 2.14 -1.26 -4.92 117.44 107.22 1vdm n TRP 124 Ca 0.22 0.00 -0.38 0.00 2.07 0.00 0.00 57.50 59.41 1vdm n TRP 124 Cb 0.69 -0.19 0.05 0.00 -0.81 0.00 0.00 31.31 31.05 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 -1.19 3.79 1.20 -1.67 5.66 -0.76 -4.88 114.28 116.44 1vdm n THR 125 Ca 0.17 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.80 1vdm n THR 125 Cb 0.19 -1.36 0.32 0.00 -1.55 0.00 0.00 70.33 67.93 1vdm n THR 125 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1vdm n SER 126 N -0.87 1.12 -3.73 1.09 3.41 -0.46 -4.61 113.62 109.58 1vdm n SER 126 Ca 0.13 -0.94 -0.30 0.00 -0.26 0.00 0.00 58.87 57.50 1vdm n SER 126 Cb 0.46 0.19 -0.14 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.53 1.08 -0.15 -3.33 1.01 -1.26 -5.04 120.40 110.19 1vdm s VAL 127 Ca 0.23 -1.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.08 1vdm s VAL 127 Cb 0.19 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1vdm s VAL 127 CO 0.54 -0.76 1.21 -0.69 0.00 0.00 0.00 175.10 175.40 1vdm s VAL 128 N 1.15 4.35 0.82 2.92 1.01 -1.26 -4.89 120.40 124.49 1vdm s VAL 128 Ca 0.13 1.64 -0.13 0.00 0.00 0.00 0.00 61.98 63.62 1vdm s VAL 128 Cb -0.20 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.21 1vdm s VAL 128 CO -0.15 -0.10 1.16 -2.65 0.00 0.00 0.00 175.10 173.36 1vdm n PRO 129 N 6.17 0.11 0.13 2.72 -0.02 -1.26 -4.90 135.00 137.95 1vdm n PRO 129 Ca 0.13 0.12 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1vdm n PRO 129 Cb 0.45 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1vdm n PRO 129 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1vdm h ASP 130 N -1.00 0.00 -3.17 2.55 3.45 -1.24 -3.44 116.42 113.57 1vdm h ASP 130 Ca -0.46 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 56.71 1vdm h ASP 130 Cb 1.30 0.00 -0.36 0.00 -0.56 0.00 0.00 39.33 39.71 1vdm h ASP 130 CO 0.45 0.48 -0.64 -0.31 -1.57 0.00 0.00 179.24 177.64 1vdm s TYR 131 N -2.98 -0.15 0.22 4.55 1.51 -0.93 -5.02 117.35 114.56 1vdm s TYR 131 Ca 0.03 0.54 -0.10 0.00 -1.01 0.00 0.00 57.07 56.53 1vdm s TYR 131 Cb 0.08 -0.26 -0.01 0.00 -0.11 0.00 0.00 41.96 41.66 1vdm s TYR 131 CO 0.75 -0.24 0.38 1.52 -1.11 0.00 0.00 175.55 176.85 1vdm s TYR 132 N 2.10 0.46 0.08 2.71 -0.85 -1.26 -1.24 117.35 119.35 1vdm s TYR 132 Ca 0.01 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 55.76 1vdm s TYR 132 Cb -0.12 0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.25 1vdm s TYR 132 CO -0.05 -0.87 0.00 0.28 -1.52 0.00 0.00 175.55 173.38 1vdm n VAL 133 N -0.32 0.51 -3.32 -3.49 0.31 -0.34 -5.02 118.33 106.65 1vdm n VAL 133 Ca -0.03 0.17 -0.34 0.00 -0.01 0.00 0.00 64.34 64.13 1vdm n VAL 133 Cb 0.63 -1.31 -0.06 0.00 -0.91 0.00 0.00 33.84 32.19 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 3.51 -0.03 3.52 0.40 0.29 -5.00 117.98 118.68 1vdm s PHE 134 Ca 0.00 1.05 -0.01 0.00 -0.60 0.00 0.00 56.93 57.37 1vdm s PHE 134 Cb 0.00 -2.38 0.03 0.00 0.51 0.00 0.00 43.02 41.18 1vdm s PHE 134 CO 0.00 0.32 0.04 0.50 0.70 0.00 0.00 175.22 176.77 1vdm s ARG 135 N -2.40 -0.02 0.14 0.44 3.52 -1.26 -1.53 118.95 117.84 1vdm s ARG 135 Ca 0.44 0.23 -0.25 0.00 -0.13 0.00 0.00 55.73 56.02 1vdm s ARG 135 Cb -0.13 -0.35 0.07 0.00 -1.56 0.00 0.00 34.95 32.98 1vdm s ARG 135 CO 0.20 -0.21 1.00 -0.08 -0.81 0.00 0.00 175.30 175.40 1vdm s THR 136 N 1.38 0.00 -0.05 4.11 -1.32 -1.08 -5.00 115.64 113.68 1vdm s THR 136 Ca -0.05 -0.62 0.01 0.00 -1.21 0.00 0.00 61.69 59.82 1vdm s THR 136 Cb -0.13 -2.11 -0.01 0.00 -1.51 0.00 0.00 72.50 68.74 1vdm s THR 136 CO -0.03 0.00 0.06 -0.62 -2.21 0.00 0.00 174.62 171.82 1vdm n GLU 137 N -0.50 6.38 -1.47 7.08 1.02 -1.26 -4.20 120.64 127.69 1vdm n GLU 137 Ca -0.06 -0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.77 1vdm n GLU 137 Cb 0.61 -0.57 0.12 0.00 -0.02 0.00 0.00 31.44 31.58 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 -1.05 1.47 -0.14 3.49 1.02 -1.26 -4.97 119.74 118.29 1vdm s LYS 138 Ca 0.00 0.52 -0.29 0.00 0.02 0.00 0.00 55.97 56.22 1vdm s LYS 138 Cb 0.01 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1vdm s LYS 138 CO 0.04 -2.02 1.47 -0.46 -0.92 0.00 0.00 175.35 173.46 1vdm s TRP 139 N -3.16 2.39 -0.25 3.18 -0.11 -1.26 -4.89 118.94 114.85 1vdm s TRP 139 Ca 0.63 0.62 -0.11 0.00 1.22 0.00 0.00 56.10 58.45 1vdm s TRP 139 Cb -0.15 -3.76 -0.05 0.00 -1.50 0.00 0.00 33.47 28.00 1vdm s TRP 139 CO 0.55 -2.71 0.20 0.42 -4.62 0.00 0.00 176.95 170.78 1vdm s ILE 140 N 4.05 5.32 -0.46 5.86 1.01 -1.26 -0.41 121.20 135.31 1vdm s ILE 140 Ca 0.65 0.24 -0.08 0.00 0.00 0.00 0.00 60.65 61.46 1vdm s ILE 140 Cb -0.26 -3.54 0.12 0.00 0.01 0.00 0.00 42.46 38.79 1vdm s ILE 140 CO 0.23 0.30 0.31 -0.69 0.00 0.00 0.00 174.94 175.09 1vdm s VAL 141 N 1.34 4.01 0.74 2.92 1.01 0.55 -4.95 120.40 126.02 1vdm s VAL 141 Ca 0.09 -1.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.11 1vdm s VAL 141 Cb -0.14 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1vdm s VAL 141 CO 0.07 -0.75 1.09 -0.36 0.00 0.00 0.00 175.10 175.15 1vdm s PHE 142 N 1.32 2.63 0.40 5.22 0.40 -1.26 -2.72 117.98 123.97 1vdm s PHE 142 Ca 0.06 1.55 0.15 0.00 -0.60 0.00 0.00 56.93 58.09 1vdm s PHE 142 Cb -0.25 -3.07 1.01 0.00 0.51 0.00 0.00 43.02 41.22 1vdm s PHE 142 CO -0.01 -1.72 1.86 -1.35 0.70 0.00 0.00 175.22 174.70 1vdm h PRO 143 N -0.78 0.47 0.00 0.24 0.11 -1.87 -2.14 132.00 128.03 1vdm h PRO 143 Ca -0.44 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1vdm h PRO 143 Cb 1.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1vdm h PRO 143 CO 0.52 0.31 -0.17 0.11 -0.21 0.00 0.00 178.00 178.57 1vdm h TRP 144 N 0.48 0.00 -4.36 0.65 0.09 -1.92 -3.45 115.95 107.44 1vdm h TRP 144 Ca 0.46 0.00 -0.48 0.00 0.09 0.00 0.00 58.89 58.96 1vdm h TRP 144 Cb 1.04 0.00 0.08 0.00 0.08 0.00 0.00 29.16 30.36 1vdm h TRP 144 CO -0.00 0.17 0.36 -1.21 0.09 0.00 0.00 178.44 177.85 1vdm s GLU 145 N -3.27 2.43 0.27 0.12 2.02 -0.81 -5.05 118.70 114.41 1vdm s GLU 145 Ca 0.04 0.18 -0.09 0.00 0.02 0.00 0.00 54.97 55.12 1vdm s GLU 145 Cb 0.07 -2.04 -0.07 0.00 0.10 0.00 0.00 34.13 32.19 1vdm s GLU 145 CO 0.67 -1.25 0.59 -1.21 0.02 0.00 0.00 175.26 174.08 1vdm s GLU 146 N -5.39 3.79 -0.50 1.61 2.02 -1.26 -4.88 118.70 114.09 1vdm s GLU 146 Ca 0.59 0.29 -0.28 0.00 0.02 0.00 0.00 54.97 55.59 1vdm s GLU 146 Cb -0.11 -2.60 0.02 0.00 0.10 0.00 0.00 34.13 31.54 1vdm s GLU 146 CO 0.49 0.24 1.33 -0.06 0.02 0.00 0.00 175.26 177.29 1vdm s PHE 147 N -1.94 2.46 0.52 1.61 0.40 -1.26 -4.98 117.98 114.79 1vdm s PHE 147 Ca 0.48 0.57 -0.21 0.00 -0.60 0.00 0.00 56.93 57.17 1vdm s PHE 147 Cb -0.11 -4.40 -0.07 0.00 0.51 0.00 0.00 43.02 38.95 1vdm s PHE 147 CO 0.23 -1.80 1.05 -2.30 0.70 0.00 0.00 175.22 173.10 1vdm n PRO 148 N 8.30 1.24 -4.55 0.24 -0.02 -1.26 -5.01 135.00 133.95 1vdm n PRO 148 Ca 0.13 0.46 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 1vdm n PRO 148 Cb 0.49 -2.19 -0.13 0.00 -0.02 0.00 0.00 33.50 31.64 1vdm n PRO 148 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vdm s VAL 149 N -1.39 2.29 -0.21 -1.45 1.01 -1.26 -5.12 120.40 114.28 1vdm s VAL 149 Ca 0.69 -1.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1vdm s VAL 149 Cb -0.47 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1vdm s VAL 149 CO 0.52 0.18 0.00 -0.63 0.00 0.00 0.00 175.10 175.17 1vdm s ILE 150 N -0.99 3.93 0.31 2.22 1.09 -1.26 -5.10 121.20 121.41 1vdm s ILE 150 Ca 0.14 -0.32 0.10 0.00 -1.10 0.00 0.00 60.65 59.47 1vdm s ILE 150 Cb -0.10 -2.79 -0.05 0.00 -1.06 0.00 0.00 42.46 38.46 1vdm s ILE 150 CO 0.05 0.42 -0.06 -1.61 -0.10 0.00 0.00 174.94 173.64 1vdm s GLU 151 N 1.09 1.99 -0.16 2.79 2.02 -1.26 -5.10 118.70 120.07 1vdm s GLU 151 Ca 0.02 -1.70 -0.27 0.00 0.02 0.00 0.00 54.97 53.04 1vdm s GLU 151 Cb -0.14 -1.91 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 1vdm s GLU 151 CO 0.01 0.24 0.91 0.15 0.02 0.00 0.00 175.26 176.60 1vdm s LYS 152 N -3.64 4.33 0.00 1.61 1.02 -1.26 -5.36 119.74 116.45 1vdm s LYS 152 Ca 0.32 1.18 0.18 0.00 0.02 0.00 0.00 55.97 57.68 1vdm s LYS 152 Cb -0.03 -3.57 1.08 0.00 -0.52 0.00 0.00 37.83 34.80 1vdm s LYS 152 CO 0.18 -0.36 1.48 0.39 -0.92 0.00 0.00 175.35 176.12