#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkm s GLN 4 N 0.00 4.37 0.18 3.49 -1.52 -1.26 -4.99 119.66 119.93 2bkm s GLN 4 Ca 0.00 2.11 -0.30 0.00 -1.95 0.00 0.00 55.36 55.22 2bkm s GLN 4 Cb 0.00 -3.17 -0.09 0.00 -0.22 0.00 0.00 33.01 29.54 2bkm s GLN 4 CO 0.00 -0.27 1.33 -0.46 -0.25 0.00 0.00 175.29 175.64 2bkm s TRP 5 N -0.04 3.24 0.02 0.91 -0.11 -1.26 -5.04 118.94 116.67 2bkm s TRP 5 Ca 0.56 1.15 -0.22 0.00 1.22 0.00 0.00 56.10 58.81 2bkm s TRP 5 Cb -0.38 -3.63 0.05 0.00 -1.50 0.00 0.00 33.47 28.01 2bkm s TRP 5 CO 0.40 -2.03 0.51 1.14 -4.62 0.00 0.00 176.95 172.35 2bkm s GLN 6 N 0.14 0.98 0.73 5.86 -2.07 -1.26 -5.15 119.66 118.89 2bkm s GLN 6 Ca 0.59 -0.16 -0.12 0.00 -1.82 0.00 0.00 55.36 53.84 2bkm s GLN 6 Cb -0.37 0.45 0.04 0.00 -1.09 0.00 0.00 33.01 32.04 2bkm s GLN 6 CO 0.37 -0.34 1.10 0.95 -1.32 0.00 0.00 175.29 176.05 2bkm s THR 7 N -2.11 3.33 0.34 3.63 -4.23 -1.26 -4.83 115.64 110.51 2bkm s THR 7 Ca -0.07 0.49 0.07 0.00 -1.18 0.00 0.00 61.69 61.00 2bkm s THR 7 Cb -0.01 -3.00 0.11 0.00 1.34 0.00 0.00 72.50 70.95 2bkm s THR 7 CO 0.01 -0.51 1.83 0.25 -0.54 0.00 0.00 174.62 175.66 2bkm h LEU 8 N -0.74 0.29 -0.12 4.79 5.85 -1.92 0.07 115.31 123.53 2bkm h LEU 8 Ca -0.45 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.24 2bkm h LEU 8 Cb 1.23 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 2bkm h LEU 8 CO 0.52 0.51 -0.26 0.22 -0.34 0.00 0.00 178.44 179.09 2bkm h TYR 9 N 0.27 -0.71 -0.56 1.25 5.03 -1.41 -1.17 116.97 119.67 2bkm h TYR 9 Ca 0.05 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 2bkm h TYR 9 Cb 0.53 0.33 -0.02 0.00 1.55 0.00 0.00 36.73 39.11 2bkm h TYR 9 CO 0.01 -0.35 0.23 0.93 -1.32 0.00 0.00 178.16 177.66 2bkm h GLU 10 N -0.34 0.84 -0.79 1.82 5.08 -1.71 0.30 114.58 119.78 2bkm h GLU 10 Ca 0.10 -0.15 0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2bkm h GLU 10 Cb 0.48 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2bkm h GLU 10 CO -0.31 0.72 0.51 0.00 -1.00 0.00 0.00 179.01 178.93 2bkm h ALA 11 N 1.07 1.87 -0.01 3.43 0.00 -0.42 -0.77 119.26 124.42 2bkm h ALA 11 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2bkm h ALA 11 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2bkm h ALA 11 CO -0.02 -0.05 -0.19 0.44 0.00 0.00 0.00 179.25 179.44 2bkm n ILE 12 N -4.51 0.00 0.00 0.00 -5.35 -0.50 -4.91 119.36 104.10 2bkm n ILE 12 Ca 0.14 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 2bkm n ILE 12 Cb 0.40 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 2bkm n ILE 12 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bkm n GLY 13 N 1.30 1.23 7.00 3.28 0.00 -0.30 -4.74 105.19 112.96 2bkm n GLY 13 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2bkm n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bkm n GLY 14 N -1.24 2.11 0.25 -0.02 0.00 0.10 -3.65 105.19 102.74 2bkm n GLY 14 Ca 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.54 2bkm n GLY 14 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bkm h GLU 15 N 0.00 0.27 -0.50 1.61 5.08 -1.97 -1.39 114.58 117.68 2bkm h GLU 15 Ca 0.00 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2bkm h GLU 15 Cb 0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2bkm h GLU 15 CO 0.00 0.18 -0.13 0.93 -1.00 0.00 0.00 179.01 178.98 2bkm h GLU 16 N 0.28 0.94 -0.26 2.33 5.08 -1.98 0.62 114.58 121.59 2bkm h GLU 16 Ca 0.35 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2bkm h GLU 16 Cb 0.55 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2bkm h GLU 16 CO -0.44 1.01 -0.09 1.15 -1.00 0.00 0.00 179.01 179.64 2bkm h THR 17 N 0.83 1.29 -0.68 1.13 2.02 -1.42 -2.19 112.91 113.89 2bkm h THR 17 Ca 0.13 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.19 2bkm h THR 17 Cb 0.68 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 2bkm h THR 17 CO 0.05 0.35 0.45 0.58 0.37 0.00 0.00 175.52 177.32 2bkm h VAL 18 N 0.26 1.16 -0.18 3.16 2.07 -0.88 0.89 116.25 122.74 2bkm h VAL 18 Ca 0.06 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2bkm h VAL 18 Cb 0.57 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2bkm h VAL 18 CO 0.03 0.17 0.11 0.00 0.02 0.00 0.00 177.57 177.89 2bkm h ALA 19 N 1.26 0.22 -0.60 1.67 0.00 -0.81 -0.56 119.26 120.43 2bkm h ALA 19 Ca 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2bkm h ALA 19 Cb -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2bkm h ALA 19 CO -0.06 -0.31 0.22 0.87 0.00 0.00 0.00 179.25 179.97 2bkm h LYS 20 N 0.22 0.91 -0.23 0.00 1.57 -1.06 -2.15 116.57 115.82 2bkm h LYS 20 Ca 0.07 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2bkm h LYS 20 Cb -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2bkm h LYS 20 CO -0.03 0.79 0.13 1.25 -0.57 0.00 0.00 179.45 181.02 2bkm h LEU 21 N 0.84 0.29 -0.48 2.94 5.85 -0.54 -1.52 115.31 122.69 2bkm h LEU 21 Ca 0.20 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2bkm h LEU 21 Cb 0.23 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2bkm h LEU 21 CO -0.01 0.29 0.23 0.58 -0.34 0.00 0.00 178.44 179.19 2bkm h VAL 22 N 0.27 1.19 -0.35 1.05 2.07 -1.02 0.20 116.25 119.65 2bkm h VAL 22 Ca 0.08 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.11 2bkm h VAL 22 Cb 0.06 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2bkm h VAL 22 CO -0.01 0.21 0.09 -0.08 0.02 0.00 0.00 177.57 177.80 2bkm h GLU 23 N 0.63 0.22 -0.56 1.57 4.81 -1.22 -1.42 114.58 118.60 2bkm h GLU 23 Ca 0.17 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2bkm h GLU 23 Cb 0.12 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2bkm h GLU 23 CO -0.02 0.14 -0.08 0.00 -0.73 0.00 0.00 179.01 178.32 2bkm h ALA 24 N 1.25 0.77 -0.25 2.92 0.00 -0.87 -2.78 119.26 120.29 2bkm h ALA 24 Ca 0.16 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2bkm h ALA 24 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2bkm h ALA 24 CO -0.19 0.67 0.14 0.35 0.00 0.00 0.00 179.25 180.22 2bkm h PHE 25 N 0.94 0.27 0.00 0.00 3.04 -0.25 -2.59 116.94 118.35 2bkm h PHE 25 Ca 0.15 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 2bkm h PHE 25 Cb 0.65 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 2bkm h PHE 25 CO 0.05 0.16 -0.32 1.88 -2.02 0.00 0.00 178.31 178.05 2bkm h TYR 26 N 0.30 0.00 -0.61 0.41 -1.99 -1.20 0.34 116.97 114.22 2bkm h TYR 26 Ca 0.10 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.78 2bkm h TYR 26 Cb -0.00 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 2bkm h TYR 26 CO -0.08 0.32 0.20 0.00 -0.00 0.00 0.00 178.16 178.60 2bkm h ARG 27 N 0.00 0.91 -0.27 4.88 3.08 -1.24 -0.63 114.38 121.11 2bkm h ARG 27 Ca -0.00 -0.17 -0.17 0.00 0.07 0.00 0.00 59.98 59.71 2bkm h ARG 27 Cb 0.88 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2bkm h ARG 27 CO 0.04 0.78 -0.49 0.00 -1.07 0.00 0.00 179.97 179.23 2bkm h ARG 28 N 0.89 0.81 -0.69 0.04 2.47 -0.86 -3.07 114.38 113.97 2bkm h ARG 28 Ca 0.20 -0.51 -0.00 0.00 -1.26 0.00 0.00 59.98 58.41 2bkm h ARG 28 Cb 0.24 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.59 2bkm h ARG 28 CO -0.01 1.14 0.42 0.28 0.56 0.00 0.00 179.97 182.36 2bkm h VAL 29 N 0.57 1.20 0.00 2.04 2.07 -0.82 -1.88 116.25 119.43 2bkm h VAL 29 Ca 0.02 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2bkm h VAL 29 Cb 1.10 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2bkm h VAL 29 CO 0.11 0.20 -0.01 0.00 0.02 0.00 0.00 177.57 177.89 2bkm h ALA 30 N 1.22 1.92 -0.01 1.67 0.00 -1.08 -1.57 119.26 121.41 2bkm h ALA 30 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2bkm h ALA 30 Cb -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2bkm h ALA 30 CO -0.05 0.01 -0.41 0.00 0.00 0.00 0.00 179.25 178.81 2bkm n ALA 31 N -2.51 3.41 -2.64 0.00 0.00 -0.78 -4.69 120.51 113.30 2bkm n ALA 31 Ca -0.03 -0.46 -0.40 0.00 0.00 0.00 0.00 53.44 52.55 2bkm n ALA 31 Cb 0.10 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 2bkm n ALA 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2bkm s HIS 32 N -2.62 3.32 0.50 0.00 2.46 -0.59 -4.94 115.29 113.42 2bkm s HIS 32 Ca 0.19 0.82 0.30 0.00 0.47 0.00 0.00 55.06 56.85 2bkm s HIS 32 Cb 0.18 -2.78 1.70 0.00 -0.13 0.00 0.00 32.58 31.55 2bkm s HIS 32 CO 0.59 -0.24 2.18 -1.00 -2.47 0.00 0.00 174.74 173.80 2bkm h PRO 33 N 7.72 0.00 0.00 2.88 0.13 -1.90 0.35 132.00 141.17 2bkm h PRO 33 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2bkm h PRO 33 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2bkm h PRO 33 CO 0.76 0.06 -0.24 -0.25 -0.23 0.00 0.00 178.00 178.10 2bkm n ASP 34 N -3.65 0.53 -0.04 1.44 8.00 -1.26 -4.37 116.55 117.20 2bkm n ASP 34 Ca -0.02 0.31 -0.07 0.00 0.71 0.00 0.00 54.79 55.72 2bkm n ASP 34 Cb 0.16 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 2bkm n ASP 34 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bkm n LEU 35 N -1.92 2.36 -0.32 0.64 4.77 -0.50 -4.78 117.00 117.26 2bkm n LEU 35 Ca 0.05 -0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.23 2bkm n LEU 35 Cb 0.40 -0.28 0.40 0.00 -2.33 0.00 0.00 43.42 41.61 2bkm n LEU 35 CO 0.32 0.52 1.00 -0.09 -1.33 0.00 0.00 177.39 177.81 2bkm h ARG 36 N -0.08 0.19 0.00 3.23 2.43 -0.43 -0.25 114.38 119.45 2bkm h ARG 36 Ca -0.19 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 2bkm h ARG 36 Cb 1.26 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2bkm h ARG 36 CO -0.06 0.12 -0.04 -1.35 -1.51 0.00 0.00 179.97 177.14 2bkm h PRO 37 N 0.19 0.00 -0.00 0.20 0.11 -1.81 -3.14 132.00 127.55 2bkm h PRO 37 Ca 0.67 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.78 2bkm h PRO 37 Cb 1.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.61 2bkm h PRO 37 CO -0.69 0.04 -0.65 0.44 -0.21 0.00 0.00 178.00 176.93 2bkm n ILE 38 N -3.12 0.00 -3.43 4.15 -5.35 -0.13 -4.88 119.36 106.60 2bkm n ILE 38 Ca 0.03 -0.05 -0.26 0.00 -0.27 0.00 0.00 62.75 62.20 2bkm n ILE 38 Cb 0.47 0.68 -0.02 0.00 -1.74 0.00 0.00 39.64 39.02 2bkm n ILE 38 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2bkm s PHE 39 N -2.87 3.49 0.70 4.28 0.08 -1.07 -5.07 117.98 117.52 2bkm s PHE 39 Ca 0.13 0.43 -0.16 0.00 0.12 0.00 0.00 56.93 57.44 2bkm s PHE 39 Cb 0.17 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2bkm s PHE 39 CO 0.72 0.19 1.22 -2.14 -0.10 0.00 0.00 175.22 175.11 2bkm s PRO 40 N -3.90 2.31 0.26 0.24 0.02 -1.26 -4.92 135.00 127.75 2bkm s PRO 40 Ca 0.41 1.81 0.01 0.00 0.02 0.00 0.00 61.00 63.24 2bkm s PRO 40 Cb -0.10 -1.85 0.34 0.00 0.02 0.00 0.00 34.50 32.91 2bkm s PRO 40 CO 0.33 -1.72 1.68 -0.44 -0.33 0.00 0.00 177.00 176.53 2bkm h ASP 41 N -0.02 0.56 -3.62 2.53 3.45 -1.96 -3.37 116.42 113.99 2bkm h ASP 41 Ca -0.48 -0.20 -0.69 0.00 0.43 0.00 0.00 57.03 56.09 2bkm h ASP 41 Cb 1.30 -0.15 -0.19 0.00 -0.56 0.00 0.00 39.33 39.73 2bkm h ASP 41 CO 0.51 0.81 -0.38 -0.62 -1.57 0.00 0.00 179.24 177.98 2bkm s ASP 42 N -6.80 6.12 -0.03 6.45 3.68 -1.26 -4.95 116.67 119.87 2bkm s ASP 42 Ca -0.07 -0.55 0.14 0.00 2.13 0.00 0.00 52.55 54.20 2bkm s ASP 42 Cb 0.13 -2.17 0.45 0.00 -1.45 0.00 0.00 42.92 39.89 2bkm s ASP 42 CO 0.80 -0.37 1.35 0.18 0.13 0.00 0.00 175.17 177.27 2bkm n LEU 43 N 5.25 2.91 0.07 -1.34 4.77 -1.26 -4.45 117.00 122.95 2bkm n LEU 43 Ca -0.11 -1.46 -0.11 0.00 -0.03 0.00 0.00 56.01 54.30 2bkm n LEU 43 Cb 0.49 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2bkm n LEU 43 CO 0.40 0.62 0.76 0.74 -1.33 0.00 0.00 177.39 178.58 2bkm h THR 44 N 2.80 0.63 -0.46 -5.08 2.02 -1.95 0.07 112.91 110.95 2bkm h THR 44 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 2bkm h THR 44 Cb 0.82 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2bkm h THR 44 CO 0.07 0.00 -0.18 -0.08 0.37 0.00 0.00 175.52 175.69 2bkm h GLU 45 N -0.27 0.89 -0.41 6.66 4.81 -2.00 -1.93 114.58 122.32 2bkm h GLU 45 Ca 0.04 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2bkm h GLU 45 Cb 0.32 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2bkm h GLU 45 CO -0.12 1.00 0.24 1.15 -0.73 0.00 0.00 179.01 180.55 2bkm h THR 46 N 0.78 1.14 -0.66 0.32 2.02 -1.76 -0.90 112.91 113.85 2bkm h THR 46 Ca 0.11 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 2bkm h THR 46 Cb 0.72 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2bkm h THR 46 CO 0.06 0.14 0.16 0.00 0.37 0.00 0.00 175.52 176.25 2bkm h ALA 47 N 1.10 1.05 -0.37 6.16 0.00 -0.81 0.50 119.26 126.89 2bkm h ALA 47 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bkm h ALA 47 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2bkm h ALA 47 CO -0.03 0.63 0.24 1.25 0.00 0.00 0.00 179.25 181.35 2bkm h HIS 48 N 0.98 0.47 -0.57 0.00 6.17 -0.86 0.27 115.15 121.61 2bkm h HIS 48 Ca 0.21 0.01 -0.10 0.00 0.71 0.00 0.00 60.37 61.20 2bkm h HIS 48 Cb 0.34 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 30.09 2bkm h HIS 48 CO 0.02 0.30 -0.05 0.87 0.71 0.00 0.00 177.93 179.79 2bkm h LYS 49 N 0.50 1.03 -0.39 5.26 1.57 -0.74 -2.05 116.57 121.75 2bkm h LYS 49 Ca 0.14 -0.35 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 2bkm h LYS 49 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2bkm h LYS 49 CO -0.03 1.04 -0.24 0.37 -0.57 0.00 0.00 179.45 180.01 2bkm h GLN 50 N 0.93 0.80 -0.53 3.15 5.75 -0.59 0.17 115.11 124.79 2bkm h GLN 50 Ca 0.16 -0.34 0.03 0.00 -0.15 0.00 0.00 58.65 58.35 2bkm h GLN 50 Cb 0.60 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.09 2bkm h GLN 50 CO 0.04 0.96 0.31 -0.22 -2.65 0.00 0.00 178.83 177.27 2bkm h LYS 51 N 0.69 0.61 -0.47 1.69 3.64 -0.71 0.11 116.57 122.13 2bkm h LYS 51 Ca 0.09 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2bkm h LYS 51 Cb 0.77 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2bkm h LYS 51 CO 0.06 0.40 0.21 1.96 -2.27 0.00 0.00 179.45 179.81 2bkm h GLN 52 N 0.62 0.70 -0.11 1.90 4.20 -0.98 -2.18 115.11 119.26 2bkm h GLN 52 Ca 0.21 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2bkm h GLN 52 Cb 0.03 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2bkm h GLN 52 CO -0.10 0.61 0.03 0.35 -0.67 0.00 0.00 178.83 179.05 2bkm h PHE 53 N 0.62 0.18 -0.18 2.96 3.57 -0.35 -2.45 116.94 121.28 2bkm h PHE 53 Ca 0.16 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2bkm h PHE 53 Cb 0.16 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2bkm h PHE 53 CO -0.00 0.34 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.13 2bkm h LEU 54 N -0.02 0.32 -0.05 0.59 3.38 -0.77 0.30 115.31 119.05 2bkm h LEU 54 Ca 0.03 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2bkm h LEU 54 Cb 0.24 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2bkm h LEU 54 CO -0.00 0.55 -0.08 0.74 0.09 0.00 0.00 178.44 179.74 2bkm h THR 55 N 0.30 0.79 -0.41 0.22 2.02 -1.21 -0.10 112.91 114.51 2bkm h THR 55 Ca 0.05 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 2bkm h THR 55 Cb 0.55 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2bkm h THR 55 CO 0.04 0.00 -0.07 -0.61 0.37 0.00 0.00 175.52 175.25 2bkm h GLN 56 N -0.11 0.77 -0.40 6.66 4.15 -0.91 0.19 115.11 125.46 2bkm h GLN 56 Ca 0.05 -0.28 0.03 0.00 0.77 0.00 0.00 58.65 59.22 2bkm h GLN 56 Cb 0.18 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2bkm h GLN 56 CO -0.12 0.88 0.27 -0.92 -1.93 0.00 0.00 178.83 177.01 2bkm h TYR 57 N 0.59 0.42 -0.01 3.99 5.03 -0.11 -1.31 116.97 125.56 2bkm h TYR 57 Ca 0.11 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.43 2bkm h TYR 57 Cb 0.58 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.72 2bkm h TYR 57 CO 0.05 0.25 -0.09 1.28 -1.32 0.00 0.00 178.16 178.32 2bkm n LEU 58 N -4.48 0.74 0.00 2.82 4.77 -0.08 -4.89 117.00 115.88 2bkm n LEU 58 Ca 0.04 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2bkm n LEU 58 Cb 0.14 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2bkm n LEU 58 CO 0.35 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2bkm n GLY 59 N 1.22 0.89 0.29 -0.72 0.00 -0.49 -0.97 105.19 105.40 2bkm n GLY 59 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 2bkm n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bkm n GLY 60 N -1.88 -1.13 3.67 -0.02 0.00 0.67 -4.91 105.19 101.59 2bkm n GLY 60 Ca 0.00 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 2bkm n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bkm n PRO 61 N -1.21 1.08 -1.36 1.61 -0.02 -1.26 -4.40 135.00 129.44 2bkm n PRO 61 Ca 0.01 0.42 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 2bkm n PRO 61 Cb 0.04 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 2bkm n PRO 61 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2bkm n PRO 62 N -1.33 3.31 -0.01 0.52 -0.04 -1.26 -3.44 135.00 132.75 2bkm n PRO 62 Ca 0.14 -2.22 -0.05 0.00 -0.04 0.00 0.00 63.50 61.33 2bkm n PRO 62 Cb 0.47 -2.89 0.16 0.00 -0.04 0.00 0.00 33.50 31.21 2bkm n PRO 62 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2bkm h LEU 63 N 8.00 0.56 -0.04 1.53 3.38 -1.88 -2.67 115.31 124.19 2bkm h LEU 63 Ca 0.76 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.51 2bkm h LEU 63 Cb 0.37 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2bkm h LEU 63 CO 1.79 0.81 -0.07 0.22 0.09 0.00 0.00 178.44 181.28 2bkm h TYR 64 N 0.49 0.15 -0.89 1.13 3.20 -1.83 -3.06 116.97 116.16 2bkm h TYR 64 Ca 0.07 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2bkm h TYR 64 Cb 0.71 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.89 2bkm h TYR 64 CO 0.03 0.64 0.57 1.15 -1.64 0.00 0.00 178.16 178.90 2bkm h THR 65 N -0.38 1.11 -0.94 1.81 2.02 -1.66 0.25 112.91 115.13 2bkm h THR 65 Ca 0.00 -0.37 0.09 0.00 0.77 0.00 0.00 66.41 66.90 2bkm h THR 65 Cb 0.62 -0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 66.91 2bkm h THR 65 CO 0.02 0.20 0.61 0.00 0.37 0.00 0.00 175.52 176.71 2bkm h ALA 66 N 1.38 1.54 0.01 6.16 0.00 -1.46 0.15 119.26 127.04 2bkm h ALA 66 Ca 0.37 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.92 2bkm h ALA 66 Cb 0.07 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 2bkm h ALA 66 CO -0.14 0.29 -2.19 -1.91 0.00 0.00 0.00 179.25 175.29 2bkm n GLU 67 N -4.53 0.67 0.00 0.00 2.13 -0.80 -4.70 120.64 113.42 2bkm n GLU 67 Ca 0.16 0.11 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2bkm n GLU 67 Cb 0.26 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.37 2bkm n GLU 67 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2bkm n HIS 68 N -2.95 0.00 -0.93 4.31 8.25 0.82 -5.12 115.22 119.59 2bkm n HIS 68 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 2bkm n HIS 68 Cb 1.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.21 2bkm n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bkm n GLY 69 N 0.43 -2.66 3.69 -1.41 0.00 0.52 -4.92 105.19 100.84 2bkm n GLY 69 Ca 0.00 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 2bkm n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2bkm n HIS 70 N -0.38 2.23 -0.28 1.61 8.25 -1.26 -3.90 115.22 121.48 2bkm n HIS 70 Ca 0.00 0.56 0.04 0.00 -0.26 0.00 0.00 57.72 58.05 2bkm n HIS 70 Cb 0.00 -2.41 0.17 0.00 1.12 0.00 0.00 29.99 28.88 2bkm n HIS 70 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2bkm h PRO 71 N 2.57 0.66 -6.67 -0.41 0.11 -1.94 -3.46 132.00 122.86 2bkm h PRO 71 Ca -0.46 -0.04 -0.37 0.00 0.11 0.00 0.00 66.00 65.25 2bkm h PRO 71 Cb 1.29 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 2bkm h PRO 71 CO 0.63 0.44 -0.59 0.00 -0.21 0.00 0.00 178.00 178.26 2bkm n MET 72 N -4.82 -0.77 -0.19 1.05 0.00 -1.26 -4.71 117.12 106.42 2bkm n MET 72 Ca 0.14 -0.06 -0.09 0.00 0.00 0.00 0.00 57.70 57.69 2bkm n MET 72 Cb 0.32 -1.64 0.01 0.00 0.00 0.00 0.00 33.22 31.91 2bkm n MET 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2bkm h LEU 73 N -0.52 0.85 -0.55 3.17 3.38 -1.99 -0.94 115.31 118.71 2bkm h LEU 73 Ca -0.41 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.32 2bkm h LEU 73 Cb 0.84 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2bkm h LEU 73 CO 0.37 0.89 0.35 -0.09 0.09 0.00 0.00 178.44 180.05 2bkm h ARG 74 N 0.78 0.68 -0.77 1.13 2.43 -1.89 -1.13 114.38 115.61 2bkm h ARG 74 Ca 0.17 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2bkm h ARG 74 Cb 0.40 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2bkm h ARG 74 CO 0.01 0.45 0.47 0.00 -1.51 0.00 0.00 179.97 179.39 2bkm h ALA 75 N 1.23 0.98 0.00 2.80 0.00 -1.69 -1.56 119.26 121.01 2bkm h ALA 75 Ca 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2bkm h ALA 75 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2bkm h ALA 75 CO -0.08 0.43 -0.21 0.00 0.00 0.00 0.00 179.25 179.40 2bkm h ARG 76 N 1.05 0.00 -0.00 0.00 3.08 -0.57 -2.42 114.38 115.51 2bkm h ARG 76 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2bkm h ARG 76 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2bkm h ARG 76 CO -0.05 0.21 -0.25 0.72 -1.07 0.00 0.00 179.97 179.52 2bkm n HIS 77 N -4.08 0.00 0.28 3.04 8.25 -0.49 -3.54 115.22 118.69 2bkm n HIS 77 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 2bkm n HIS 77 Cb 0.28 -0.30 0.75 0.00 1.12 0.00 0.00 29.99 31.84 2bkm n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2bkm h LEU 78 N 0.20 0.00 0.00 2.41 3.38 -0.84 -1.69 115.31 118.77 2bkm h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bkm h LEU 78 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2bkm h LEU 78 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.39 2bkm n ARG 79 N -2.61 0.01 -4.19 1.13 0.63 -1.23 -4.77 116.66 105.63 2bkm n ARG 79 Ca -0.01 0.29 -0.15 0.00 -0.92 0.00 0.00 57.85 57.06 2bkm n ARG 79 Cb 0.14 -1.50 -0.11 0.00 0.45 0.00 0.00 32.46 31.44 2bkm n ARG 79 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2bkm s PHE 80 N -2.97 1.12 -0.54 -0.14 0.40 -0.64 -5.09 117.98 110.12 2bkm s PHE 80 Ca 0.06 -0.64 -0.26 0.00 -0.60 0.00 0.00 56.93 55.50 2bkm s PHE 80 Cb 0.08 -0.61 0.04 0.00 0.51 0.00 0.00 43.02 43.04 2bkm s PHE 80 CO 0.21 0.03 1.01 -2.00 0.70 0.00 0.00 175.22 175.16 2bkm s GLU 81 N -2.76 3.43 -0.51 0.44 2.12 -1.26 -4.93 118.70 115.22 2bkm s GLU 81 Ca 0.06 -0.03 -0.06 0.00 0.36 0.00 0.00 54.97 55.30 2bkm s GLU 81 Cb -0.03 -4.02 0.13 0.00 0.26 0.00 0.00 34.13 30.48 2bkm s GLU 81 CO 0.01 -1.48 0.35 0.42 -0.54 0.00 0.00 175.26 174.01 2bkm s ILE 82 N 4.18 3.86 0.59 -3.70 1.01 -1.26 -4.98 121.20 120.90 2bkm s ILE 82 Ca 0.35 -2.23 -0.07 0.00 0.00 0.00 0.00 60.65 58.71 2bkm s ILE 82 Cb -0.11 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 2bkm s ILE 82 CO 0.22 -0.79 0.91 0.42 0.00 0.00 0.00 174.94 175.71 2bkm s THR 83 N 0.84 3.93 0.30 2.92 -4.23 -1.26 -0.27 115.64 117.87 2bkm s THR 83 Ca 0.10 0.16 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 2bkm s THR 83 Cb -0.22 -3.56 0.30 0.00 1.34 0.00 0.00 72.50 70.35 2bkm s THR 83 CO -0.03 -0.60 1.82 -0.65 -0.54 0.00 0.00 174.62 174.62 2bkm h PRO 84 N -0.17 0.85 -0.83 3.99 0.11 -1.89 -0.32 132.00 133.74 2bkm h PRO 84 Ca -0.46 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2bkm h PRO 84 Cb 1.24 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 2bkm h PRO 84 CO 0.61 0.57 0.54 -0.22 -0.21 0.00 0.00 178.00 179.29 2bkm h LYS 85 N 0.88 1.04 -0.40 1.05 3.64 -1.94 0.27 116.57 121.12 2bkm h LYS 85 Ca 0.52 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.70 2bkm h LYS 85 Cb 0.67 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2bkm h LYS 85 CO -0.30 0.69 -0.32 0.00 -2.27 0.00 0.00 179.45 177.25 2bkm h ARG 86 N 1.07 0.89 -0.90 1.90 3.08 -1.62 0.09 114.38 118.88 2bkm h ARG 86 Ca 0.32 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2bkm h ARG 86 Cb -0.04 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 2bkm h ARG 86 CO -0.10 1.07 0.58 0.00 -1.07 0.00 0.00 179.97 180.46 2bkm h ALA 87 N 0.89 1.15 -0.62 0.04 0.00 -0.27 -0.21 119.26 120.23 2bkm h ALA 87 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2bkm h ALA 87 Cb 0.89 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2bkm h ALA 87 CO 0.08 0.57 0.13 0.93 0.00 0.00 0.00 179.25 180.96 2bkm h GLU 88 N 1.23 0.99 -0.61 0.00 4.39 -0.13 0.18 114.58 120.63 2bkm h GLU 88 Ca 0.33 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 2bkm h GLU 88 Cb -0.11 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.38 2bkm h GLU 88 CO -0.07 0.89 0.26 0.00 -1.16 0.00 0.00 179.01 178.93 2bkm h ALA 89 N 1.20 0.80 -0.20 3.43 0.00 -0.40 0.19 119.26 124.27 2bkm h ALA 89 Ca 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bkm h ALA 89 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2bkm h ALA 89 CO 0.00 0.40 0.11 2.35 0.00 0.00 0.00 179.25 182.11 2bkm h TRP 90 N 0.85 0.27 -0.44 0.00 7.01 -0.62 -0.21 115.95 122.82 2bkm h TRP 90 Ca 0.21 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.14 2bkm h TRP 90 Cb 0.19 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 2bkm h TRP 90 CO 0.01 0.25 0.01 -0.07 -2.79 0.00 0.00 178.44 175.85 2bkm h LEU 91 N 0.21 0.67 -0.71 0.65 3.38 -0.77 -0.49 115.31 118.26 2bkm h LEU 91 Ca 0.07 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2bkm h LEU 91 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2bkm h LEU 91 CO -0.01 0.73 -0.17 0.00 0.09 0.00 0.00 178.44 179.08 2bkm h ALA 92 N 1.35 0.90 -0.76 1.53 0.00 -0.26 0.82 119.26 122.83 2bkm h ALA 92 Ca 0.14 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2bkm h ALA 92 Cb 0.39 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2bkm h ALA 92 CO 0.01 0.63 0.32 0.00 0.00 0.00 0.00 179.25 180.21 2bkm h MET 94 N 1.09 0.67 -0.67 0.00 -1.53 -0.52 0.12 114.93 114.10 2bkm h MET 94 Ca 0.26 -0.21 -0.03 0.00 -3.44 0.00 0.00 59.70 56.28 2bkm h MET 94 Cb 0.18 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.14 2bkm h MET 94 CO -0.02 0.76 0.31 0.00 0.14 0.00 0.00 176.91 178.10 2bkm h ARG 95 N 0.50 0.97 -0.61 0.39 3.08 -0.72 0.70 114.38 118.68 2bkm h ARG 95 Ca 0.11 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2bkm h ARG 95 Cb 0.45 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2bkm h ARG 95 CO 0.02 0.77 0.16 0.00 -1.07 0.00 0.00 179.97 179.85 2bkm h ALA 96 N 1.14 1.12 -0.36 0.04 0.00 -0.88 0.19 119.26 120.52 2bkm h ALA 96 Ca 0.23 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2bkm h ALA 96 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2bkm h ALA 96 CO -0.03 0.59 -0.20 0.00 0.00 0.00 0.00 179.25 179.61 2bkm h ALA 97 N 1.26 0.51 -0.50 0.00 0.00 -0.47 0.11 119.26 120.17 2bkm h ALA 97 Ca 0.20 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2bkm h ALA 97 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2bkm h ALA 97 CO -0.00 0.46 0.32 0.52 0.00 0.00 0.00 179.25 180.55 2bkm h MET 98 N 0.56 0.64 -0.72 0.00 2.07 -0.58 -1.63 114.93 115.27 2bkm h MET 98 Ca 0.08 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.65 2bkm h MET 98 Cb 0.75 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.31 2bkm h MET 98 CO 0.06 0.42 0.38 -0.44 1.07 0.00 0.00 176.91 178.41 2bkm h ASP 99 N 0.66 0.92 -0.44 1.22 3.32 -0.78 -0.54 116.42 120.77 2bkm h ASP 99 Ca 0.18 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 2bkm h ASP 99 Cb -0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2bkm h ASP 99 CO -0.05 0.76 0.01 -0.08 -1.72 0.00 0.00 179.24 178.16 2bkm h GLU 100 N 1.00 0.84 -0.08 3.56 4.81 -0.45 -0.68 114.58 123.58 2bkm h GLU 100 Ca 0.25 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2bkm h GLU 100 Cb 0.06 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2bkm h GLU 100 CO -0.04 0.84 0.00 0.44 -0.73 0.00 0.00 179.01 179.52 2bkm n ILE 101 N -4.21 0.10 -2.26 2.32 -5.35 -0.66 -4.90 119.36 104.41 2bkm n ILE 101 Ca 0.03 -0.21 -0.11 0.00 -0.27 0.00 0.00 62.75 62.18 2bkm n ILE 101 Cb 0.30 0.15 -0.00 0.00 -1.74 0.00 0.00 39.64 38.35 2bkm n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bkm n GLY 102 N 1.04 -0.08 3.53 3.28 0.00 -0.26 -5.00 105.19 107.70 2bkm n GLY 102 Ca 0.17 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2bkm n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bkm s LEU 103 N -3.29 4.42 0.06 0.99 2.96 -0.24 -5.02 118.68 118.57 2bkm s LEU 103 Ca 0.02 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2bkm s LEU 103 Cb -0.01 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 2bkm s LEU 103 CO 0.02 -0.77 -0.05 -0.94 -1.32 0.00 0.00 176.35 173.30 2bkm s SER 104 N 1.98 0.72 0.00 3.68 1.04 -1.26 -4.46 113.70 115.40 2bkm s SER 104 Ca 0.24 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2bkm s SER 104 Cb -0.14 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2bkm s SER 104 CO 0.19 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2bkm n GLY 105 N 0.48 -0.53 0.22 7.32 0.00 -1.26 -4.60 105.19 106.82 2bkm n GLY 105 Ca -0.16 -2.26 -0.04 0.00 0.00 0.00 0.00 46.02 43.56 2bkm n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bkm h PRO 106 N 6.44 0.41 -0.50 1.61 0.13 -2.00 -0.73 132.00 137.37 2bkm h PRO 106 Ca 0.00 -0.19 -0.06 0.00 -0.87 0.00 0.00 66.00 64.87 2bkm h PRO 106 Cb 0.00 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.10 2bkm h PRO 106 CO 0.00 0.73 0.06 0.00 -0.23 0.00 0.00 178.00 178.56 2bkm h ALA 107 N 1.26 0.66 -0.51 -0.56 0.00 -1.91 0.39 119.26 118.58 2bkm h ALA 107 Ca 0.04 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.78 2bkm h ALA 107 Cb 0.82 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2bkm h ALA 107 CO 0.07 0.41 0.15 -0.09 0.00 0.00 0.00 179.25 179.79 2bkm h ARG 108 N 0.71 0.31 -0.09 0.00 2.43 -1.65 -1.28 114.38 114.80 2bkm h ARG 108 Ca 0.15 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 2bkm h ARG 108 Cb 0.42 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2bkm h ARG 108 CO 0.01 0.20 -0.57 0.93 -1.51 0.00 0.00 179.97 179.04 2bkm h GLU 109 N 0.32 0.28 -0.38 0.20 4.39 -0.67 0.21 114.58 118.93 2bkm h GLU 109 Ca 0.25 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2bkm h GLU 109 Cb 0.31 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2bkm h GLU 109 CO -0.28 0.78 0.16 0.37 -1.16 0.00 0.00 179.01 178.87 2bkm h GLN 110 N 0.22 0.55 -0.19 2.33 4.15 -0.67 0.20 115.11 121.70 2bkm h GLN 110 Ca -0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 2bkm h GLN 110 Cb 1.07 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 2bkm h GLN 110 CO 0.09 0.51 0.10 0.35 -1.93 0.00 0.00 178.83 177.96 2bkm h PHE 111 N 0.46 0.25 -0.90 3.99 -0.00 -0.89 -1.62 116.94 118.24 2bkm h PHE 111 Ca 0.13 -0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.14 2bkm h PHE 111 Cb 0.16 -0.08 -0.06 0.00 -0.00 0.00 0.00 35.95 35.97 2bkm h PHE 111 CO -0.01 0.23 0.57 -0.92 -0.00 0.00 0.00 178.31 178.18 2bkm h TYR 112 N 0.20 1.07 -0.29 0.41 5.03 -0.32 -0.92 116.97 122.15 2bkm h TYR 112 Ca 0.07 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.33 2bkm h TYR 112 Cb 0.06 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 37.97 2bkm h TYR 112 CO -0.04 0.58 -0.15 0.45 -1.32 0.00 0.00 178.16 177.68 2bkm h HIS 113 N 1.08 0.54 -0.70 -3.82 3.86 -0.29 0.17 115.15 115.99 2bkm h HIS 113 Ca 0.38 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.47 2bkm h HIS 113 Cb 0.09 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 2bkm h HIS 113 CO -0.02 0.63 0.34 0.00 0.86 0.00 0.00 177.93 179.73 2bkm h ARG 114 N 0.46 1.00 -0.26 2.45 3.08 -0.27 -1.88 114.38 118.96 2bkm h ARG 114 Ca 0.08 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 2bkm h ARG 114 Cb 0.53 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2bkm h ARG 114 CO 0.03 0.79 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.44 2bkm h LEU 115 N 0.97 0.47 -0.63 3.04 3.38 0.09 -0.38 115.31 122.25 2bkm h LEU 115 Ca 0.24 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2bkm h LEU 115 Cb 0.11 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2bkm h LEU 115 CO -0.03 0.69 0.41 0.58 0.09 0.00 0.00 178.44 180.18 2bkm h VAL 116 N 0.43 1.17 -0.31 1.22 2.07 -0.28 0.26 116.25 120.80 2bkm h VAL 116 Ca 0.07 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 2bkm h VAL 116 Cb 0.61 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2bkm h VAL 116 CO 0.04 0.17 -0.03 -0.07 0.02 0.00 0.00 177.57 177.70 2bkm h LEU 117 N 0.86 0.57 -0.51 2.57 4.07 -0.73 -1.03 115.31 121.11 2bkm h LEU 117 Ca 0.23 -0.34 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 2bkm h LEU 117 Cb -0.07 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.49 2bkm h LEU 117 CO -0.05 0.77 0.23 0.74 -1.08 0.00 0.00 178.44 179.05 2bkm h THR 118 N 0.36 1.20 -0.87 0.22 2.02 -0.82 -0.56 112.91 114.47 2bkm h THR 118 Ca 0.08 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2bkm h THR 118 Cb 0.50 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2bkm h THR 118 CO 0.02 0.23 0.50 0.00 0.37 0.00 0.00 175.52 176.65 2bkm h ALA 119 N 1.07 1.11 -0.68 6.16 0.00 -0.37 -0.41 119.26 126.14 2bkm h ALA 119 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2bkm h ALA 119 Cb 0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2bkm h ALA 119 CO -0.02 0.59 0.34 1.25 0.00 0.00 0.00 179.25 181.41 2bkm h HIS 120 N 1.20 0.96 0.00 0.00 6.17 -0.68 -0.96 115.15 121.84 2bkm h HIS 120 Ca 0.31 -0.04 -0.03 0.00 0.71 0.00 0.00 60.37 61.32 2bkm h HIS 120 Cb -0.02 -0.30 -0.00 0.00 2.52 0.00 0.00 27.41 29.61 2bkm h HIS 120 CO 0.00 0.71 -0.13 0.45 0.71 0.00 0.00 177.93 179.67 2bkm h HIS 121 N 0.94 0.00 0.00 5.26 3.86 0.17 -2.62 115.15 122.75 2bkm h HIS 121 Ca 0.23 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.30 2bkm h HIS 121 Cb 0.09 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2bkm h HIS 121 CO 0.00 0.13 -0.69 0.52 0.86 0.00 0.00 177.93 178.75 2bkm h MET 122 N 0.00 0.00 -6.59 2.45 2.86 0.23 -3.46 114.93 110.43 2bkm h MET 122 Ca -0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 2bkm h MET 122 Cb 0.28 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.02 2bkm h MET 122 CO 0.02 0.69 0.63 0.28 1.06 0.00 0.00 176.91 179.58 2bkm n VAL 123 N -3.41 0.90 -1.22 -2.22 0.31 -0.91 -4.78 118.33 107.01 2bkm n VAL 123 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2bkm n VAL 123 Cb 0.76 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 2bkm n VAL 123 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2bkm n ASN 124 N 2.22 0.00 -3.73 4.52 0.23 0.63 -5.01 115.26 114.12 2bkm n ASN 124 Ca 0.12 -1.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.04 2bkm n ASN 124 Cb 0.31 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.92 2bkm n ASN 124 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2bkm s THR 125 N 0.00 0.00 0.66 5.53 2.01 -1.02 -4.86 115.64 117.96 2bkm s THR 125 Ca 0.00 -0.04 -0.17 0.00 0.31 0.00 0.00 61.69 61.79 2bkm s THR 125 Cb 0.00 -0.59 -0.00 0.00 0.01 0.00 0.00 72.50 71.92 2bkm s THR 125 CO 0.00 -0.02 1.24 -2.84 -0.69 0.00 0.00 174.62 172.31 2bkm s PRO 126 N 0.08 2.56 0.75 4.92 0.02 -1.26 -4.08 135.00 137.99 2bkm s PRO 126 Ca -0.01 1.88 -0.15 0.00 0.02 0.00 0.00 61.00 62.74 2bkm s PRO 126 Cb -0.03 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.67 2bkm s PRO 126 CO 0.01 -1.54 1.22 -0.51 -0.33 0.00 0.00 177.00 175.85 2bkm s ASP 127 N -1.68 4.04 -0.39 2.53 -0.00 -1.26 -4.85 116.67 115.06 2bkm s ASP 127 Ca 0.78 2.39 -0.25 0.00 -0.00 0.00 0.00 52.55 55.48 2bkm s ASP 127 Cb -0.32 -2.59 0.02 0.00 -0.00 0.00 0.00 42.92 40.02 2bkm s ASP 127 CO 0.39 -2.37 0.87 -1.00 -0.00 0.00 0.00 175.17 173.06 2bkm s HIS 128 N -1.97 3.05 0.17 4.23 3.76 -1.26 -5.04 115.29 118.23 2bkm s HIS 128 Ca 0.75 0.58 0.10 0.00 -0.15 0.00 0.00 55.06 56.34 2bkm s HIS 128 Cb -0.30 -3.63 -0.04 0.00 1.11 0.00 0.00 32.58 29.72 2bkm s HIS 128 CO 0.46 -0.86 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.83 2bkm s LEU 129 N 3.39 2.74 0.00 0.89 1.43 -1.26 -5.14 118.68 120.73 2bkm s LEU 129 Ca 0.35 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2bkm s LEU 129 Cb -0.12 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2bkm s LEU 129 CO 0.20 0.13 0.00 0.47 0.23 0.00 0.00 176.35 177.38