#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c8s n GLY 6 N 0.00 -0.29 3.32 3.38 0.00 -1.26 -4.50 105.19 105.85 1c8s n GLY 6 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1c8s n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c8s s ARG 7 N -2.57 2.89 0.18 1.61 0.52 -1.26 -4.97 118.95 115.34 1c8s s ARG 7 Ca 0.00 -1.56 -0.03 0.00 -0.52 0.00 0.00 55.73 53.62 1c8s s ARG 7 Cb 0.00 -4.14 0.35 0.00 0.52 0.00 0.00 34.95 31.68 1c8s s ARG 7 CO 0.00 -1.17 0.94 -2.30 0.02 0.00 0.00 175.30 172.79 1c8s n PRO 8 N 5.16 -0.05 -0.08 3.54 -0.02 -1.26 0.14 135.00 142.42 1c8s n PRO 8 Ca -0.12 0.93 0.02 0.00 -2.02 0.00 0.00 63.50 62.30 1c8s n PRO 8 Cb 0.42 -1.42 0.06 0.00 -0.02 0.00 0.00 33.50 32.55 1c8s n PRO 8 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1c8s n GLU 9 N -4.90 1.36 -0.23 -0.52 0.00 -1.26 -4.05 120.64 111.04 1c8s n GLU 9 Ca 0.11 -0.52 0.02 0.00 0.00 0.00 0.00 57.16 56.77 1c8s n GLU 9 Cb 0.36 -1.15 0.26 0.00 0.00 0.00 0.00 31.44 30.91 1c8s n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1c8s h TRP 10 N 0.83 0.95 -0.15 -1.84 5.08 0.81 -1.15 115.95 120.48 1c8s h TRP 10 Ca 0.00 0.02 -0.05 0.00 1.08 0.00 0.00 58.89 59.94 1c8s h TRP 10 Cb 0.24 -0.32 -0.01 0.00 -3.00 0.00 0.00 29.16 26.07 1c8s h TRP 10 CO 0.10 0.56 -0.15 0.97 -1.28 0.00 0.00 178.44 178.65 1c8s h ILE 11 N 0.99 1.19 -0.07 0.12 -0.00 -1.79 1.17 117.51 119.12 1c8s h ILE 11 Ca 0.31 -0.84 -0.17 0.00 -0.00 0.00 0.00 64.86 64.16 1c8s h ILE 11 Cb 0.00 1.24 -0.01 0.00 -0.00 0.00 0.00 36.82 38.05 1c8s h ILE 11 CO -0.08 0.26 -0.68 -0.50 -0.00 0.00 0.00 178.15 177.15 1c8s h TRP 12 N 0.23 0.40 -0.30 2.19 4.06 -1.58 0.30 115.95 121.25 1c8s h TRP 12 Ca 0.05 -0.17 -0.07 0.00 2.06 0.00 0.00 58.89 60.76 1c8s h TRP 12 Cb 0.41 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1c8s h TRP 12 CO 0.01 0.88 -0.08 -0.07 -3.56 0.00 0.00 178.44 175.62 1c8s h LEU 13 N 0.21 0.58 -0.42 -4.49 3.38 -0.07 -0.65 115.31 113.85 1c8s h LEU 13 Ca -0.02 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1c8s h LEU 13 Cb 1.22 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1c8s h LEU 13 CO 0.11 0.82 0.23 0.00 0.09 0.00 0.00 178.44 179.69 1c8s h ALA 14 N 0.78 0.53 -0.76 1.53 0.00 0.17 0.75 119.26 122.27 1c8s h ALA 14 Ca 0.07 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1c8s h ALA 14 Cb 0.57 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1c8s h ALA 14 CO 0.03 0.05 0.50 -0.07 0.00 0.00 0.00 179.25 179.76 1c8s h LEU 15 N 0.54 0.69 0.11 0.00 3.38 -0.42 -1.91 115.31 117.70 1c8s h LEU 15 Ca 0.15 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1c8s h LEU 15 Cb 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1c8s h LEU 15 CO -0.02 0.44 -0.05 1.23 0.09 0.00 0.00 178.44 180.12 1c8s h GLY 16 N 0.78 -0.16 -0.44 0.83 0.00 0.40 -0.55 103.07 103.94 1c8s h GLY 16 Ca 0.33 0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.82 1c8s h GLY 16 CO -0.12 -0.06 -0.39 -0.84 0.00 0.00 0.00 176.54 175.14 1c8s h THR 17 N -0.57 0.13 0.12 4.70 2.02 -0.77 0.11 112.91 118.65 1c8s h THR 17 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1c8s h THR 17 Cb 0.45 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1c8s h THR 17 CO 0.03 0.00 -0.21 0.00 0.37 0.00 0.00 175.52 175.71 1c8s h ALA 18 N 0.77 -0.36 -0.41 6.16 0.00 -1.24 0.46 119.26 124.65 1c8s h ALA 18 Ca 0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1c8s h ALA 18 Cb 0.56 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1c8s h ALA 18 CO -0.67 -0.74 0.12 -0.07 0.00 0.00 0.00 179.25 177.89 1c8s h LEU 19 N -0.40 0.54 -0.13 0.00 3.38 -0.68 -1.42 115.31 116.59 1c8s h LEU 19 Ca 0.02 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1c8s h LEU 19 Cb 0.41 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1c8s h LEU 19 CO -0.11 0.52 -0.17 0.24 0.09 0.00 0.00 178.44 179.01 1c8s h MET 20 N 0.58 0.35 -0.08 1.13 2.86 -0.05 -2.50 114.93 117.22 1c8s h MET 20 Ca 0.14 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1c8s h MET 20 Cb 0.18 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 1c8s h MET 20 CO -0.01 0.77 -0.44 0.78 1.06 0.00 0.00 176.91 179.07 1c8s h GLY 21 N -0.05 -0.79 0.26 8.32 0.00 -0.76 -0.71 103.07 109.34 1c8s h GLY 21 Ca 0.02 0.54 0.07 0.00 0.00 0.00 0.00 47.33 47.95 1c8s h GLY 21 CO 0.04 -0.23 -0.12 1.41 0.00 0.00 0.00 176.54 177.64 1c8s h LEU 22 N -0.54 -0.41 -1.30 3.11 4.07 -1.29 0.82 115.31 119.77 1c8s h LEU 22 Ca 0.06 0.11 -0.04 0.00 0.08 0.00 0.00 57.88 58.09 1c8s h LEU 22 Cb 0.65 0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 1c8s h LEU 22 CO -0.37 -0.15 0.05 1.23 -1.08 0.00 0.00 178.44 178.12 1c8s h GLY 23 N -0.05 0.57 0.95 0.83 0.00 -1.28 0.22 103.07 104.31 1c8s h GLY 23 Ca 0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1c8s h GLY 23 CO -0.37 0.29 -0.34 -0.84 0.00 0.00 0.00 176.54 175.28 1c8s h THR 24 N 0.51 0.27 -0.96 4.70 2.02 0.59 0.46 112.91 120.50 1c8s h THR 24 Ca 0.12 -0.09 0.19 0.00 0.77 0.00 0.00 66.41 67.40 1c8s h THR 24 Cb 0.25 0.30 -0.18 0.00 -1.74 0.00 0.00 68.15 66.78 1c8s h THR 24 CO 0.00 0.01 -0.23 -0.07 0.37 0.00 0.00 175.52 175.60 1c8s h LEU 25 N -1.02 -0.88 0.25 2.58 3.38 -0.52 1.07 115.31 120.17 1c8s h LEU 25 Ca -0.10 0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1c8s h LEU 25 Cb 0.75 0.59 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1c8s h LEU 25 CO 0.16 -0.32 -0.12 0.22 0.09 0.00 0.00 178.44 178.47 1c8s h TYR 26 N 0.00 -0.32 0.00 1.13 3.20 -0.26 0.21 116.97 120.93 1c8s h TYR 26 Ca 0.47 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.25 1c8s h TYR 26 Cb 0.72 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 1c8s h TYR 26 CO -0.74 -0.15 -0.35 0.74 -1.64 0.00 0.00 178.16 176.02 1c8s h PHE 27 N -0.40 0.00 0.23 -3.82 0.04 0.17 -0.95 116.94 112.21 1c8s h PHE 27 Ca -0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1c8s h PHE 27 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1c8s h PHE 27 CO -0.04 0.35 -0.11 -0.07 -0.60 0.00 0.00 178.31 177.84 1c8s h LEU 28 N 0.00 -0.26 -1.07 1.54 3.38 0.14 -0.49 115.31 118.56 1c8s h LEU 28 Ca -0.00 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.91 1c8s h LEU 28 Cb 0.79 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1c8s h LEU 28 CO 0.05 0.02 0.62 0.58 0.09 0.00 0.00 178.44 179.80 1c8s h VAL 29 N -0.54 0.97 0.00 1.22 2.07 -0.37 -1.13 116.25 118.47 1c8s h VAL 29 Ca -0.03 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1c8s h VAL 29 Cb 0.40 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1c8s h VAL 29 CO 0.05 0.18 0.00 0.11 0.02 0.00 0.00 177.57 177.93 1c8s h LYS 30 N 1.00 0.00 0.00 1.57 1.79 -0.96 -3.12 116.57 116.84 1c8s h LYS 30 Ca 0.46 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.80 1c8s h LYS 30 Cb 0.40 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1c8s h LYS 30 CO -0.22 0.00 -0.62 0.78 -1.08 0.00 0.00 179.45 178.31 1c8s h GLY 31 N 2.98 0.00 -2.51 3.86 0.00 0.25 -3.46 103.07 104.20 1c8s h GLY 31 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1c8s h GLY 31 CO 0.00 0.00 0.56 1.06 0.00 0.00 0.00 176.54 178.16 1c8s s MET 32 N -3.34 3.00 0.00 4.80 -1.94 -1.18 -1.91 119.30 118.73 1c8s s MET 32 Ca 0.00 2.11 0.00 0.00 -1.71 0.00 0.00 55.69 56.09 1c8s s MET 32 Cb 0.11 -2.11 0.00 0.00 2.01 0.00 0.00 34.83 34.84 1c8s s MET 32 CO 0.75 -1.26 0.00 0.41 -0.01 0.00 0.00 175.02 174.92 1c8s n GLY 33 N 0.73 2.83 3.54 -0.03 0.00 -1.26 -5.00 105.19 106.00 1c8s n GLY 33 Ca 0.12 -0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 1c8s n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1c8s n VAL 34 N 0.00 0.28 -0.03 1.61 0.31 -0.80 -4.71 118.33 114.98 1c8s n VAL 34 Ca 0.00 -0.40 -0.03 0.00 -0.01 0.00 0.00 64.34 63.90 1c8s n VAL 34 Cb 0.00 -2.25 -0.06 0.00 -0.91 0.00 0.00 33.84 30.61 1c8s n VAL 34 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1c8s n SER 35 N 11.21 3.03 -4.66 4.52 3.41 -1.26 -4.84 113.62 125.03 1c8s n SER 35 Ca 0.34 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.53 1c8s n SER 35 Cb 0.37 0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 65.08 1c8s n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1c8s n ASP 36 N -2.23 4.13 0.08 4.04 2.03 -1.26 -4.86 116.55 118.47 1c8s n ASP 36 Ca -0.12 0.90 -0.12 0.00 0.52 0.00 0.00 54.79 55.97 1c8s n ASP 36 Cb 0.69 -1.52 -0.05 0.00 -0.72 0.00 0.00 41.12 39.52 1c8s n ASP 36 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1c8s h PRO 37 N 10.60 -0.41 -0.11 -0.67 0.11 -1.99 0.33 132.00 139.87 1c8s h PRO 37 Ca -0.50 0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1c8s h PRO 37 Cb 1.24 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.39 1c8s h PRO 37 CO 0.94 -0.27 -0.29 -0.44 -0.21 0.00 0.00 178.00 177.73 1c8s h ASP 38 N -0.42 -0.89 -0.99 -2.05 5.19 -2.00 -0.04 116.42 115.23 1c8s h ASP 38 Ca 0.05 0.13 0.15 0.00 -0.62 0.00 0.00 57.03 56.74 1c8s h ASP 38 Cb 0.48 0.38 -0.09 0.00 0.18 0.00 0.00 39.33 40.28 1c8s h ASP 38 CO -0.19 -0.34 0.62 0.00 -3.12 0.00 0.00 179.24 176.21 1c8s h ALA 39 N 0.49 1.64 -0.86 3.45 0.00 -1.73 0.53 119.26 122.78 1c8s h ALA 39 Ca 0.09 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1c8s h ALA 39 Cb 0.51 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1c8s h ALA 39 CO -0.32 0.07 0.53 0.87 0.00 0.00 0.00 179.25 180.39 1c8s h LYS 40 N 0.86 1.16 -0.47 0.00 1.57 0.14 -0.28 116.57 119.55 1c8s h LYS 40 Ca 0.52 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 59.17 1c8s h LYS 40 Cb 0.68 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1c8s h LYS 40 CO -0.29 0.81 0.19 -0.22 -0.57 0.00 0.00 179.45 179.37 1c8s h LYS 41 N 1.19 0.69 -0.62 3.15 3.64 0.15 0.19 116.57 124.96 1c8s h LYS 41 Ca 0.31 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1c8s h LYS 41 Cb -0.06 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1c8s h LYS 41 CO -0.06 0.62 0.37 0.74 -2.27 0.00 0.00 179.45 178.86 1c8s h PHE 42 N 0.61 0.81 -0.03 1.91 0.04 -0.78 -1.68 116.94 117.83 1c8s h PHE 42 Ca 0.16 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 1c8s h PHE 42 Cb 0.18 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 1c8s h PHE 42 CO 0.00 0.55 0.00 1.88 -0.60 0.00 0.00 178.31 180.15 1c8s h TYR 43 N 0.83 0.04 -0.34 -0.55 0.05 -0.64 0.40 116.97 116.77 1c8s h TYR 43 Ca 0.22 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.06 1c8s h TYR 43 Cb -0.03 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.65 1c8s h TYR 43 CO -0.02 0.28 0.00 0.00 -1.05 0.00 0.00 178.16 177.37 1c8s h ALA 44 N 0.76 0.31 -0.49 3.88 0.00 -0.55 0.17 119.26 123.33 1c8s h ALA 44 Ca 0.01 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1c8s h ALA 44 Cb 0.26 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1c8s h ALA 44 CO 0.00 -0.40 0.30 0.82 0.00 0.00 0.00 179.25 179.97 1c8s h ILE 45 N 0.10 1.15 0.00 0.00 2.04 -1.16 -2.02 117.51 117.63 1c8s h ILE 45 Ca 0.16 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1c8s h ILE 45 Cb 0.22 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1c8s h ILE 45 CO -0.27 0.15 -0.28 0.74 0.00 0.00 0.00 178.15 178.49 1c8s h THR 46 N 0.66 1.05 -0.01 -0.27 2.02 -0.16 -2.98 112.91 113.21 1c8s h THR 46 Ca 0.18 -1.01 -0.23 0.00 0.77 0.00 0.00 66.41 66.12 1c8s h THR 46 Cb -0.02 1.57 0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1c8s h THR 46 CO -0.03 0.27 -0.93 0.74 0.37 0.00 0.00 175.52 175.94 1c8s h THR 47 N 0.00 1.37 -0.12 3.16 2.02 -0.31 -3.36 112.91 115.68 1c8s h THR 47 Ca -0.00 -2.36 -0.17 0.00 0.77 0.00 0.00 66.41 64.65 1c8s h THR 47 Cb 0.54 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 1c8s h THR 47 CO 0.04 0.71 -0.63 -0.07 0.37 0.00 0.00 175.52 175.94 1c8s h LEU 48 N 0.28 0.50 0.34 2.58 3.38 -1.23 -3.06 115.31 118.09 1c8s h LEU 48 Ca -0.08 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1c8s h LEU 48 Cb 1.57 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1c8s h LEU 48 CO 0.17 1.00 -0.16 0.58 0.09 0.00 0.00 178.44 180.12 1c8s h VAL 49 N 0.32 0.67 0.00 1.22 2.07 -1.68 -0.16 116.25 118.69 1c8s h VAL 49 Ca -0.01 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1c8s h VAL 49 Cb 1.18 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1c8s h VAL 49 CO 0.11 0.00 -0.29 1.55 0.02 0.00 0.00 177.57 178.96 1c8s h PRO 50 N -0.45 0.00 0.33 1.57 0.13 -1.74 -0.47 132.00 131.36 1c8s h PRO 50 Ca -0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1c8s h PRO 50 Cb 0.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 1c8s h PRO 50 CO 0.08 0.29 -0.31 0.00 -0.23 0.00 0.00 178.00 177.83 1c8s h ALA 51 N 1.71 -0.66 -0.23 -0.56 0.00 -1.34 1.54 119.26 119.71 1c8s h ALA 51 Ca -0.00 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1c8s h ALA 51 Cb 0.84 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1c8s h ALA 51 CO 0.04 -0.90 -0.09 0.82 0.00 0.00 0.00 179.25 179.12 1c8s h ILE 52 N -0.66 0.70 -0.73 0.00 2.04 -0.86 -0.70 117.51 117.30 1c8s h ILE 52 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1c8s h ILE 52 Cb 0.59 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1c8s h ILE 52 CO -0.05 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.55 1c8s h ALA 53 N 1.17 1.40 -0.36 1.87 0.00 -0.62 0.18 119.26 122.90 1c8s h ALA 53 Ca 0.12 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1c8s h ALA 53 Cb 0.23 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1c8s h ALA 53 CO -0.26 0.52 0.04 0.35 0.00 0.00 0.00 179.25 179.90 1c8s h PHE 54 N 1.01 0.06 -0.09 0.00 3.57 0.34 0.31 116.94 122.14 1c8s h PHE 54 Ca 0.26 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 1c8s h PHE 54 Cb -0.05 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1c8s h PHE 54 CO 0.00 -0.02 -0.36 1.79 -2.23 0.00 0.00 178.31 177.50 1c8s h THR 55 N 0.15 1.28 -0.43 4.41 1.35 -0.03 -1.39 112.91 118.25 1c8s h THR 55 Ca 0.17 -1.35 -0.15 0.00 -0.55 0.00 0.00 66.41 64.53 1c8s h THR 55 Cb 0.22 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1c8s h THR 55 CO -0.25 0.40 -0.31 0.24 -0.25 0.00 0.00 175.52 175.35 1c8s h MET 56 N 0.15 0.97 -0.46 4.72 2.86 0.15 -1.68 114.93 121.64 1c8s h MET 56 Ca 0.02 -0.47 -0.05 0.00 -2.06 0.00 0.00 59.70 57.14 1c8s h MET 56 Cb 0.71 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1c8s h MET 56 CO 0.05 1.13 0.08 1.88 1.06 0.00 0.00 176.91 181.12 1c8s h TYR 57 N 0.81 0.80 -0.87 -0.22 -1.99 -0.18 -1.33 116.97 114.00 1c8s h TYR 57 Ca 0.08 -0.11 0.13 0.00 2.00 0.00 0.00 58.73 60.83 1c8s h TYR 57 Cb 0.90 -0.22 -0.07 0.00 2.00 0.00 0.00 36.73 39.34 1c8s h TYR 57 CO 0.06 0.75 0.56 1.25 -0.00 0.00 0.00 178.16 180.78 1c8s h LEU 58 N 0.62 0.67 -0.43 3.88 5.85 -1.17 0.45 115.31 125.18 1c8s h LEU 58 Ca 0.14 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.72 1c8s h LEU 58 Cb 0.38 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1c8s h LEU 58 CO 0.01 0.36 -0.53 0.77 -0.34 0.00 0.00 178.44 178.70 1c8s h SER 59 N 0.72 0.78 -0.33 1.25 4.64 -0.31 0.32 113.55 120.62 1c8s h SER 59 Ca 0.43 -0.41 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 1c8s h SER 59 Cb 0.63 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1c8s h SER 59 CO -0.19 1.16 -0.29 0.24 -0.87 0.00 0.00 176.83 176.88 1c8s h MET 60 N 0.54 0.85 -0.36 4.77 2.86 -0.35 0.31 114.93 123.56 1c8s h MET 60 Ca 0.02 -0.39 0.05 0.00 -2.06 0.00 0.00 59.70 57.32 1c8s h MET 60 Cb 1.10 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.70 1c8s h MET 60 CO 0.11 1.03 0.07 1.25 1.06 0.00 0.00 176.91 180.44 1c8s h LEU 61 N 0.72 0.02 0.00 1.22 5.85 0.13 -0.45 115.31 122.80 1c8s h LEU 61 Ca 0.08 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1c8s h LEU 61 Cb 0.85 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1c8s h LEU 61 CO 0.07 0.05 0.00 0.18 -0.34 0.00 0.00 178.44 178.40 1c8s n LEU 62 N -5.09 0.00 -0.24 2.25 4.77 0.11 -4.84 117.00 113.97 1c8s n LEU 62 Ca 0.01 0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 1c8s n LEU 62 Cb 0.16 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1c8s n LEU 62 CO 0.25 -0.08 -0.03 0.61 -1.33 0.00 0.00 177.39 176.81 1c8s n GLY 63 N 0.04 0.33 0.09 -0.72 0.00 -0.18 -4.95 105.19 99.80 1c8s n GLY 63 Ca 0.09 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 1c8s n GLY 63 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1c8s n TYR 64 N -3.79 0.00 -0.41 1.61 9.36 -0.01 -4.39 117.16 119.53 1c8s n TYR 64 Ca -0.03 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.10 1c8s n TYR 64 Cb 0.43 -0.68 0.03 0.00 -0.63 0.00 0.00 39.34 38.50 1c8s n TYR 64 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1c8s n GLY 65 N 2.64 3.26 3.07 2.98 0.00 -1.14 -4.85 105.19 111.15 1c8s n GLY 65 Ca -0.31 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 1c8s n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c8s s LEU 66 N -1.07 2.13 0.15 0.99 0.20 -1.26 -1.91 118.68 117.91 1c8s s LEU 66 Ca 0.18 -0.35 -0.20 0.00 0.69 0.00 0.00 54.13 54.45 1c8s s LEU 66 Cb 0.15 -0.43 0.05 0.00 -0.43 0.00 0.00 46.19 45.53 1c8s s LEU 66 CO 0.01 0.01 0.53 0.28 -0.29 0.00 0.00 176.35 176.88 1c8s s THR 67 N -0.70 0.03 -0.68 3.68 -1.32 -0.70 -4.92 115.64 111.03 1c8s s THR 67 Ca -0.00 -0.31 0.04 0.00 -1.21 0.00 0.00 61.69 60.21 1c8s s THR 67 Cb -0.06 -1.14 0.33 0.00 -1.51 0.00 0.00 72.50 70.11 1c8s s THR 67 CO 0.00 -0.12 1.13 1.15 -2.21 0.00 0.00 174.62 174.58 1c8s n MET 68 N -0.32 3.70 -1.68 7.08 0.00 -1.25 0.18 117.12 124.83 1c8s n MET 68 Ca -0.16 -4.82 -0.51 0.00 0.00 0.00 0.00 57.70 52.22 1c8s n MET 68 Cb 0.64 -2.29 -0.05 0.00 0.00 0.00 0.00 33.22 31.52 1c8s n MET 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1c8s n VAL 69 N -0.16 0.42 -2.86 3.17 0.31 -0.67 -4.03 118.33 114.51 1c8s n VAL 69 Ca 0.34 -0.08 -0.40 0.00 -0.01 0.00 0.00 64.34 64.20 1c8s n VAL 69 Cb 0.36 -1.62 -0.06 0.00 -0.91 0.00 0.00 33.84 31.62 1c8s n VAL 69 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1c8s s PRO 70 N 3.43 4.68 -0.23 5.55 0.04 -1.26 -2.67 135.00 144.54 1c8s s PRO 70 Ca 0.92 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 1c8s s PRO 70 Cb -0.80 -3.30 0.16 0.00 0.04 0.00 0.00 34.50 30.60 1c8s s PRO 70 CO 0.54 0.44 1.22 -0.59 0.04 0.00 0.00 177.00 178.65 1c8s s PHE 71 N -0.78 -0.16 -1.19 0.56 -0.12 0.50 -4.28 117.98 112.52 1c8s s PHE 71 Ca 0.40 0.25 -0.03 0.00 -0.05 0.00 0.00 56.93 57.50 1c8s s PHE 71 Cb -0.24 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.64 1c8s s PHE 71 CO 0.28 -0.16 0.37 0.41 -0.05 0.00 0.00 175.22 176.07 1c8s n GLY 72 N 0.49 -0.22 2.63 1.99 0.00 -1.26 -1.34 105.19 107.49 1c8s n GLY 72 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1c8s n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c8s n GLY 73 N -1.27 0.40 3.35 -0.02 0.00 -1.26 -4.98 105.19 101.40 1c8s n GLY 73 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1c8s n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1c8s s GLU 74 N -0.65 1.53 -0.54 1.61 2.12 -0.45 -5.09 118.70 117.23 1c8s s GLU 74 Ca 0.00 -1.20 -0.20 0.00 0.36 0.00 0.00 54.97 53.92 1c8s s GLU 74 Cb 0.00 -1.85 0.06 0.00 0.26 0.00 0.00 34.13 32.61 1c8s s GLU 74 CO 0.00 0.46 0.73 -0.65 -0.54 0.00 0.00 175.26 175.25 1c8s s GLN 75 N -1.65 3.14 -0.15 4.30 -1.52 -1.26 0.19 119.66 122.71 1c8s s GLN 75 Ca 0.12 -0.85 -0.03 0.00 -1.95 0.00 0.00 55.36 52.64 1c8s s GLN 75 Cb -0.10 -4.13 -0.03 0.00 -0.22 0.00 0.00 33.01 28.53 1c8s s GLN 75 CO 0.04 -1.38 -0.03 -0.80 -0.25 0.00 0.00 175.29 172.87 1c8s s ASN 76 N 2.98 4.89 -0.00 5.90 0.01 -1.09 -4.97 114.94 122.65 1c8s s ASN 76 Ca 0.18 -0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 51.94 1c8s s ASN 76 Cb -0.19 -1.73 -0.05 0.00 0.41 0.00 0.00 41.25 39.70 1c8s s ASN 76 CO 0.12 0.20 1.31 -2.84 -1.51 0.00 0.00 177.10 174.38 1c8s s PRO 77 N 0.17 4.33 -0.15 -0.60 0.02 -1.26 -1.68 135.00 135.83 1c8s s PRO 77 Ca -0.01 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1c8s s PRO 77 Cb -0.14 -3.52 0.03 0.00 0.02 0.00 0.00 34.50 30.90 1c8s s PRO 77 CO 0.03 -0.49 -0.11 0.42 -0.33 0.00 0.00 177.00 176.52 1c8s s ILE 78 N 2.08 1.40 -1.23 2.83 -1.09 0.48 -4.94 121.20 120.73 1c8s s ILE 78 Ca 0.61 -0.63 -0.20 0.00 -2.23 0.00 0.00 60.65 58.20 1c8s s ILE 78 Cb -0.29 -1.40 0.04 0.00 -1.58 0.00 0.00 42.46 39.22 1c8s s ILE 78 CO 0.26 0.34 1.74 -0.31 -1.23 0.00 0.00 174.94 175.73 1c8s s TYR 79 N 1.54 2.59 0.04 3.97 2.02 -1.26 -1.71 117.35 124.53 1c8s s TYR 79 Ca 0.03 -1.12 0.28 0.00 -0.37 0.00 0.00 57.07 55.89 1c8s s TYR 79 Cb -0.14 -4.61 1.50 0.00 -0.40 0.00 0.00 41.96 38.31 1c8s s TYR 79 CO -0.09 -1.73 1.84 0.11 -1.57 0.00 0.00 175.55 174.11 1c8s h TRP 80 N 8.32 0.00 0.00 2.71 5.08 -1.78 -1.25 115.95 129.03 1c8s h TRP 80 Ca 0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.34 1c8s h TRP 80 Cb 0.90 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.06 1c8s h TRP 80 CO 1.37 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 178.53 1c8s h ALA 81 N 1.97 1.00 -0.11 0.11 0.00 -1.68 -2.45 119.26 118.10 1c8s h ALA 81 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1c8s h ALA 81 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1c8s h ALA 81 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.16 1c8s h ARG 82 N 0.00 -0.09 -0.68 0.00 3.08 -1.49 0.63 114.38 115.82 1c8s h ARG 82 Ca 0.00 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1c8s h ARG 82 Cb 0.58 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1c8s h ARG 82 CO 0.00 -0.06 0.26 1.88 -1.07 0.00 0.00 179.97 180.97 1c8s h TYR 83 N -0.10 1.02 -0.73 3.04 0.05 -1.66 -0.27 116.97 118.32 1c8s h TYR 83 Ca 0.07 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.82 1c8s h TYR 83 Cb 0.20 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.59 1c8s h TYR 83 CO -0.20 0.79 0.48 0.00 -1.05 0.00 0.00 178.16 178.17 1c8s h ALA 84 N 1.30 1.61 -0.11 3.88 0.00 -0.93 0.23 119.26 125.24 1c8s h ALA 84 Ca 0.23 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1c8s h ALA 84 Cb 0.21 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1c8s h ALA 84 CO -0.02 0.30 -0.71 0.22 0.00 0.00 0.00 179.25 179.04 1c8s h ASP 85 N 0.85 0.82 0.04 0.00 3.58 -0.09 -3.24 116.42 118.38 1c8s h ASP 85 Ca 0.30 -0.65 -0.11 0.00 0.42 0.00 0.00 57.03 56.98 1c8s h ASP 85 Cb 0.12 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1c8s h ASP 85 CO -0.09 1.34 -0.37 -0.50 -2.88 0.00 0.00 179.24 176.75 1c8s h TRP 86 N 0.35 0.51 -0.97 0.28 6.55 -0.33 -0.86 115.95 121.48 1c8s h TRP 86 Ca -0.06 -0.13 0.21 0.00 0.95 0.00 0.00 58.89 59.86 1c8s h TRP 86 Cb 1.36 -0.12 -0.09 0.00 -0.86 0.00 0.00 29.16 29.45 1c8s h TRP 86 CO 0.10 0.75 0.62 1.25 -1.05 0.00 0.00 178.44 180.11 1c8s h LEU 87 N 0.37 0.57 0.00 -4.49 5.85 -0.60 -1.87 115.31 115.14 1c8s h LEU 87 Ca 0.04 0.07 -0.31 0.00 0.84 0.00 0.00 57.88 58.52 1c8s h LEU 87 Cb 0.82 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1c8s h LEU 87 CO 0.07 0.20 -2.19 0.49 -0.34 0.00 0.00 178.44 176.66 1c8s n PHE 88 N -4.63 0.00 0.12 1.25 3.72 -1.05 -4.49 117.46 112.38 1c8s n PHE 88 Ca 0.22 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.42 1c8s n PHE 88 Cb 0.68 -0.85 -0.15 0.00 -0.94 0.00 0.00 39.48 38.22 1c8s n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1c8s h THR 89 N 0.00 1.38 -0.68 4.37 1.35 -1.02 -3.30 112.91 115.00 1c8s h THR 89 Ca -0.46 -2.89 -0.03 0.00 -0.55 0.00 0.00 66.41 62.48 1c8s h THR 89 Cb 2.04 2.96 -0.03 0.00 -1.73 0.00 0.00 68.15 71.40 1c8s h THR 89 CO 0.03 0.86 0.32 0.71 -0.25 0.00 0.00 175.52 177.19 1c8s h THR 90 N 0.10 1.23 0.00 6.82 1.35 -1.57 -1.27 112.91 119.57 1c8s h THR 90 Ca -0.20 -0.65 -0.05 0.00 -0.55 0.00 0.00 66.41 64.97 1c8s h THR 90 Cb 2.06 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1c8s h THR 90 CO 0.23 0.27 -0.25 -0.65 -0.25 0.00 0.00 175.52 174.87 1c8s h PRO 91 N 0.95 0.00 -0.24 4.72 0.11 -1.78 -2.32 132.00 133.44 1c8s h PRO 91 Ca 0.23 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 1c8s h PRO 91 Cb 0.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 1c8s h PRO 91 CO -0.03 0.25 -0.20 -0.07 -0.21 0.00 0.00 178.00 177.73 1c8s h LEU 92 N 0.00 0.60 -0.48 2.35 3.38 -1.35 0.31 115.31 120.12 1c8s h LEU 92 Ca -0.00 -0.46 0.08 0.00 0.09 0.00 0.00 57.88 57.59 1c8s h LEU 92 Cb 0.54 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 1c8s h LEU 92 CO 0.03 0.93 -0.39 -0.07 0.09 0.00 0.00 178.44 179.03 1c8s h LEU 93 N 0.27 -1.32 -1.15 1.67 4.07 -1.13 0.01 115.31 117.72 1c8s h LEU 93 Ca 0.04 0.22 0.02 0.00 0.08 0.00 0.00 57.88 58.24 1c8s h LEU 93 Cb 0.75 0.60 -0.05 0.00 1.08 0.00 0.00 40.66 43.05 1c8s h LEU 93 CO 0.05 -0.34 0.58 -0.07 -1.08 0.00 0.00 178.44 177.58 1c8s h LEU 94 N -0.26 0.98 -0.66 1.67 3.38 -1.27 0.20 115.31 119.34 1c8s h LEU 94 Ca 0.17 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.26 1c8s h LEU 94 Cb 0.56 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 40.97 1c8s h LEU 94 CO -0.61 0.69 0.07 0.25 0.09 0.00 0.00 178.44 178.92 1c8s h LEU 95 N 1.14 -0.17 -0.04 1.67 6.46 0.85 0.62 115.31 125.84 1c8s h LEU 95 Ca 0.33 0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 58.24 1c8s h LEU 95 Cb -0.06 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1c8s h LEU 95 CO -0.09 -0.09 0.01 0.78 -0.62 0.00 0.00 178.44 178.44 1c8s h ASN 96 N 0.17 0.05 -0.43 1.25 2.35 0.81 -2.50 115.58 117.28 1c8s h ASN 96 Ca 0.36 -0.21 0.06 0.00 -0.55 0.00 0.00 56.30 55.96 1c8s h ASN 96 Cb 0.59 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1c8s h ASN 96 CO -0.52 0.25 0.29 -0.07 -1.65 0.00 0.00 177.43 175.73 1c8s h LEU 97 N -0.14 0.28 -1.20 1.61 3.38 -0.18 -1.62 115.31 117.44 1c8s h LEU 97 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1c8s h LEU 97 Cb 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1c8s h LEU 97 CO -0.00 0.19 -0.35 0.00 0.09 0.00 0.00 178.44 178.37 1c8s h ALA 98 N 1.77 1.34 -0.05 1.53 0.00 0.64 -2.79 119.26 121.70 1c8s h ALA 98 Ca 0.19 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 1c8s h ALA 98 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1c8s h ALA 98 CO -0.04 0.48 -0.86 -0.07 0.00 0.00 0.00 179.25 178.76 1c8s h LEU 99 N 0.08 0.61 0.22 0.00 3.38 -0.94 0.45 115.31 119.12 1c8s h LEU 99 Ca 0.01 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1c8s h LEU 99 Cb 0.65 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1c8s h LEU 99 CO 0.05 1.23 -0.15 -0.07 0.09 0.00 0.00 178.44 179.58 1c8s h LEU 100 N 0.31 -0.39 0.00 1.67 -0.00 -1.22 -2.84 115.31 112.83 1c8s h LEU 100 Ca -0.06 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1c8s h LEU 100 Cb 1.48 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 42.26 1c8s h LEU 100 CO 0.15 -0.22 0.00 1.33 -0.00 0.00 0.00 178.44 179.70 1c8s n VAL 101 N -3.19 0.00 -2.95 1.22 0.24 -1.08 -4.92 118.33 107.66 1c8s n VAL 101 Ca -0.04 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.97 1c8s n VAL 101 Cb 0.15 -0.33 0.03 0.00 -1.47 0.00 0.00 33.84 32.22 1c8s n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1c8s n ASP 102 N -0.74 -4.34 -4.81 -1.34 2.03 -0.25 -4.94 116.55 102.15 1c8s n ASP 102 Ca 0.10 -0.10 -0.38 0.00 0.52 0.00 0.00 54.79 54.92 1c8s n ASP 102 Cb 0.04 -1.24 -0.06 0.00 -0.72 0.00 0.00 41.12 39.14 1c8s n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c8s s ALA 103 N -1.11 3.63 1.03 -1.67 0.00 0.14 -5.00 121.76 118.78 1c8s s ALA 103 Ca 0.28 -0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.99 1c8s s ALA 103 Cb -0.03 -2.51 0.20 0.00 0.00 0.00 0.00 23.12 20.79 1c8s s ALA 103 CO 0.64 0.38 1.07 -0.51 0.00 0.00 0.00 175.76 177.34 1c8s s ASP 104 N -0.81 2.23 0.28 0.00 1.01 -1.26 -4.68 116.67 113.43 1c8s s ASP 104 Ca 0.26 1.54 -0.02 0.00 0.71 0.00 0.00 52.55 55.04 1c8s s ASP 104 Cb -0.17 -2.22 0.38 0.00 1.01 0.00 0.00 42.92 41.92 1c8s s ASP 104 CO 0.15 -3.43 1.82 -0.61 0.21 0.00 0.00 175.17 173.31 1c8s h GLN 105 N -2.09 0.84 -0.11 8.23 4.15 -1.98 0.65 115.11 124.80 1c8s h GLN 105 Ca -0.54 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 58.72 1c8s h GLN 105 Cb 1.31 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 1c8s h GLN 105 CO 0.52 0.76 -0.19 0.78 -1.93 0.00 0.00 178.83 178.77 1c8s h GLY 106 N 0.98 -1.55 0.24 2.39 0.00 -1.99 1.49 103.07 104.62 1c8s h GLY 106 Ca 0.18 0.76 0.10 0.00 0.00 0.00 0.00 47.33 48.37 1c8s h GLY 106 CO -0.00 -0.51 0.13 -0.84 0.00 0.00 0.00 176.54 175.32 1c8s h THR 107 N -0.16 0.67 -0.15 4.70 2.02 -1.84 -2.30 112.91 115.85 1c8s h THR 107 Ca 0.02 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1c8s h THR 107 Cb 0.21 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1c8s h THR 107 CO -0.19 0.05 -0.05 0.40 0.37 0.00 0.00 175.52 176.10 1c8s h ILE 108 N 0.26 0.81 -0.60 3.11 1.08 0.14 0.26 117.51 122.58 1c8s h ILE 108 Ca 0.30 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.70 1c8s h ILE 108 Cb 0.43 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 1c8s h ILE 108 CO -0.38 0.00 0.09 0.25 -0.69 0.00 0.00 178.15 177.42 1c8s h LEU 109 N -0.03 0.93 -0.36 1.44 5.85 0.25 0.70 115.31 124.09 1c8s h LEU 109 Ca 0.08 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1c8s h LEU 109 Cb 0.14 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1c8s h LEU 109 CO -0.17 0.93 -0.02 0.00 -0.34 0.00 0.00 178.44 178.84 1c8s h ALA 110 N 1.17 0.48 0.00 1.25 0.00 -1.13 1.52 119.26 122.56 1c8s h ALA 110 Ca 0.19 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1c8s h ALA 110 Cb 0.41 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1c8s h ALA 110 CO 0.01 0.27 -0.32 -0.07 0.00 0.00 0.00 179.25 179.14 1c8s h LEU 111 N 0.45 -0.95 -0.92 0.00 3.38 -0.53 1.45 115.31 118.18 1c8s h LEU 111 Ca 0.10 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1c8s h LEU 111 Cb 0.50 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1c8s h LEU 111 CO 0.02 -0.38 -0.24 0.58 0.09 0.00 0.00 178.44 178.51 1c8s h VAL 112 N -0.47 1.26 -0.23 1.22 2.07 0.68 -1.71 116.25 119.08 1c8s h VAL 112 Ca 0.06 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1c8s h VAL 112 Cb 0.56 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1c8s h VAL 112 CO -0.27 0.40 0.01 1.23 0.02 0.00 0.00 177.57 178.97 1c8s h GLY 113 N 1.01 0.43 1.15 2.17 0.00 0.27 -2.44 103.07 105.66 1c8s h GLY 113 Ca 0.07 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.14 1c8s h GLY 113 CO 0.05 0.29 0.45 0.00 0.00 0.00 0.00 176.54 177.33 1c8s h ALA 114 N 0.81 1.68 -0.58 3.60 0.00 0.21 -2.47 119.26 122.52 1c8s h ALA 114 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1c8s h ALA 114 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1c8s h ALA 114 CO 0.01 0.23 0.24 0.22 0.00 0.00 0.00 179.25 179.95 1c8s h ASP 115 N 0.75 0.76 0.24 0.00 1.82 -1.03 -2.26 116.42 116.71 1c8s h ASP 115 Ca 0.28 -0.09 -0.21 0.00 -0.39 0.00 0.00 57.03 56.62 1c8s h ASP 115 Cb 0.17 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.99 1c8s h ASP 115 CO -0.09 0.68 -0.86 1.23 -1.61 0.00 0.00 179.24 178.59 1c8s h GLY 116 N 0.94 0.52 1.13 -0.78 0.00 -0.97 -2.45 103.07 101.47 1c8s h GLY 116 Ca 0.20 -0.82 -0.06 0.00 0.00 0.00 0.00 47.33 46.65 1c8s h GLY 116 CO -0.02 0.73 0.20 -2.22 0.00 0.00 0.00 176.54 175.22 1c8s h ILE 117 N 0.29 1.25 -0.18 2.60 2.04 -1.43 0.23 117.51 122.31 1c8s h ILE 117 Ca -0.06 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 64.91 1c8s h ILE 117 Cb 1.47 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1c8s h ILE 117 CO 0.15 0.35 -0.26 -0.03 0.00 0.00 0.00 178.15 178.36 1c8s h MET 118 N 1.03 -0.19 -0.07 2.37 4.05 -1.22 1.54 114.93 122.44 1c8s h MET 118 Ca 0.22 0.01 -0.18 0.00 -0.28 0.00 0.00 59.70 59.48 1c8s h MET 118 Cb 0.32 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1c8s h MET 118 CO -0.00 -0.13 -0.71 0.82 0.23 0.00 0.00 176.91 177.12 1c8s h ILE 119 N -0.20 1.39 -0.33 1.77 5.03 -1.41 -0.87 117.51 122.89 1c8s h ILE 119 Ca 0.03 -2.14 0.05 0.00 -0.12 0.00 0.00 64.86 62.68 1c8s h ILE 119 Cb 0.29 2.11 -0.05 0.00 -3.03 0.00 0.00 36.82 36.14 1c8s h ILE 119 CO -0.28 0.64 0.05 1.23 -0.68 0.00 0.00 178.15 179.11 1c8s h GLY 120 N 1.38 0.36 1.50 5.37 0.00 -0.18 0.50 103.07 112.00 1c8s h GLY 120 Ca -0.02 -0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 1c8s h GLY 120 CO 0.12 -0.04 -0.28 -0.91 0.00 0.00 0.00 176.54 175.43 1c8s h THR 121 N 0.16 1.28 -0.22 4.70 1.35 0.23 -1.51 112.91 118.89 1c8s h THR 121 Ca 0.16 -1.36 -0.09 0.00 -0.55 0.00 0.00 66.41 64.56 1c8s h THR 121 Cb 0.18 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1c8s h THR 121 CO -0.22 0.44 -0.25 1.23 -0.25 0.00 0.00 175.52 176.46 1c8s h GLY 122 N 1.02 0.45 1.29 5.82 0.00 -0.70 0.29 103.07 111.25 1c8s h GLY 122 Ca 0.06 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1c8s h GLY 122 CO 0.06 0.33 0.13 -2.00 0.00 0.00 0.00 176.54 175.06 1c8s h LEU 123 N 0.37 0.83 -0.26 3.11 5.85 -0.57 1.33 115.31 125.98 1c8s h LEU 123 Ca 0.06 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1c8s h LEU 123 Cb 0.65 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1c8s h LEU 123 CO 0.05 0.82 0.12 0.58 -0.34 0.00 0.00 178.44 179.67 1c8s h VAL 124 N 0.85 1.15 -0.66 1.05 2.07 -0.41 -0.21 116.25 120.10 1c8s h VAL 124 Ca 0.18 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.36 1c8s h VAL 124 Cb 0.32 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 1c8s h VAL 124 CO 0.00 0.15 0.28 1.23 0.02 0.00 0.00 177.57 179.25 1c8s h GLY 125 N 0.28 0.96 0.24 2.17 0.00 0.14 -0.72 103.07 106.14 1c8s h GLY 125 Ca 0.09 -0.16 0.19 0.00 0.00 0.00 0.00 47.33 47.45 1c8s h GLY 125 CO -0.01 0.00 0.61 0.00 0.00 0.00 0.00 176.54 177.14 1c8s h ALA 126 N 1.43 1.95 -0.02 3.60 0.00 0.28 -2.84 119.26 123.68 1c8s h ALA 126 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1c8s h ALA 126 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1c8s h ALA 126 CO -0.30 -0.27 -0.12 1.28 0.00 0.00 0.00 179.25 179.83 1c8s n LEU 127 N -4.62 2.27 -4.75 0.00 4.77 -0.20 -4.94 117.00 109.53 1c8s n LEU 127 Ca 0.21 -0.92 -0.41 0.00 -0.03 0.00 0.00 56.01 54.86 1c8s n LEU 127 Cb 0.63 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1c8s n LEU 127 CO 0.27 0.40 0.79 -0.89 -1.33 0.00 0.00 177.39 176.63 1c8s s THR 128 N -1.71 3.71 -1.66 -5.08 2.01 -0.39 -4.92 115.64 107.61 1c8s s THR 128 Ca 0.19 1.58 0.27 0.00 0.31 0.00 0.00 61.69 64.04 1c8s s THR 128 Cb 0.15 -4.01 0.27 0.00 0.01 0.00 0.00 72.50 68.92 1c8s s THR 128 CO 0.30 0.32 1.60 0.29 -0.69 0.00 0.00 174.62 176.44 1c8s n LYS 129 N 1.87 0.73 -3.38 4.92 4.76 -1.26 -4.60 118.16 121.19 1c8s n LYS 129 Ca 0.01 -0.41 -0.45 0.00 -2.87 0.00 0.00 58.31 54.59 1c8s n LYS 129 Cb 0.46 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.11 1c8s n LYS 129 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1c8s s VAL 130 N -2.55 5.20 0.30 -0.18 1.01 -1.26 -4.39 120.40 118.52 1c8s s VAL 130 Ca 0.24 -2.21 0.01 0.00 0.00 0.00 0.00 61.98 60.01 1c8s s VAL 130 Cb 0.19 -4.27 0.42 0.00 0.00 0.00 0.00 36.38 32.72 1c8s s VAL 130 CO 0.53 -0.95 1.54 0.00 0.00 0.00 0.00 175.10 176.22 1c8s n TYR 131 N 4.33 0.59 -0.34 5.22 9.36 -1.26 -0.24 117.16 134.83 1c8s n TYR 131 Ca 0.04 1.19 0.09 0.00 3.32 0.00 0.00 57.90 62.54 1c8s n TYR 131 Cb 0.44 -1.22 0.26 0.00 -0.63 0.00 0.00 39.34 38.19 1c8s n TYR 131 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1c8s h SER 132 N 0.00 0.78 1.00 2.98 4.64 -1.97 -2.26 113.55 118.72 1c8s h SER 132 Ca 0.58 0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.88 1c8s h SER 132 Cb 1.17 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1c8s h SER 132 CO -0.94 0.35 -0.45 1.88 -0.87 0.00 0.00 176.83 176.81 1c8s h TYR 133 N 0.82 0.00 -0.97 4.77 0.05 -1.02 -3.23 116.97 117.39 1c8s h TYR 133 Ca 0.51 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.53 1c8s h TYR 133 Cb 0.66 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.28 1c8s h TYR 133 CO -0.03 0.45 0.54 0.00 -1.05 0.00 0.00 178.16 178.07 1c8s h ARG 134 N 0.00 0.53 0.01 4.88 3.08 -1.43 0.93 114.38 122.38 1c8s h ARG 134 Ca -0.00 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.81 1c8s h ARG 134 Cb 1.07 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1c8s h ARG 134 CO 0.06 0.35 -0.96 0.74 -1.07 0.00 0.00 179.97 179.08 1c8s h PHE 135 N 0.55 0.06 -0.45 3.04 0.04 -1.70 0.17 116.94 118.65 1c8s h PHE 135 Ca 0.61 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 61.37 1c8s h PHE 135 Cb 1.15 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.26 1c8s h PHE 135 CO -0.04 0.97 0.24 0.28 -0.60 0.00 0.00 178.31 179.16 1c8s h VAL 136 N 0.01 1.00 -0.67 -0.55 2.07 -0.99 1.31 116.25 118.44 1c8s h VAL 136 Ca -0.02 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 1c8s h VAL 136 Cb 1.68 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1c8s h VAL 136 CO 0.13 0.09 0.11 -0.50 0.02 0.00 0.00 177.57 177.42 1c8s h TRP 137 N 0.48 1.18 -0.56 1.57 4.06 -1.04 0.03 115.95 121.67 1c8s h TRP 137 Ca 0.19 -0.16 0.07 0.00 2.06 0.00 0.00 58.89 61.04 1c8s h TRP 137 Cb 0.07 -0.32 -0.06 0.00 -1.00 0.00 0.00 29.16 27.84 1c8s h TRP 137 CO -0.09 0.98 0.24 2.35 -3.56 0.00 0.00 178.44 178.37 1c8s h TRP 138 N 1.03 0.44 -0.30 0.49 7.01 0.25 0.52 115.95 125.39 1c8s h TRP 138 Ca 0.20 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 61.08 1c8s h TRP 138 Cb 0.44 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1c8s h TRP 138 CO 0.03 0.17 -0.42 0.00 -2.79 0.00 0.00 178.44 175.43 1c8s h ALA 139 N 1.34 0.70 -0.75 2.65 0.00 0.22 0.16 119.26 123.58 1c8s h ALA 139 Ca 0.26 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1c8s h ALA 139 Cb 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1c8s h ALA 139 CO -0.23 0.67 0.33 0.82 0.00 0.00 0.00 179.25 180.83 1c8s h ILE 140 N 0.60 1.25 -0.14 0.00 2.04 -0.37 0.52 117.51 121.40 1c8s h ILE 140 Ca 0.04 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1c8s h ILE 140 Cb 0.97 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1c8s h ILE 140 CO 0.09 0.31 0.04 -1.28 0.00 0.00 0.00 178.15 177.31 1c8s h SER 141 N 1.08 0.21 -0.33 1.72 0.87 0.36 -1.69 113.55 115.77 1c8s h SER 141 Ca 0.26 -0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1c8s h SER 141 Cb 0.17 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1c8s h SER 141 CO -0.03 0.37 0.23 0.74 -0.53 0.00 0.00 176.83 177.61 1c8s h THR 142 N 0.04 0.95 -0.03 2.23 2.02 -0.26 0.16 112.91 118.01 1c8s h THR 142 Ca 0.05 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 1c8s h THR 142 Cb 0.24 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1c8s h THR 142 CO -0.00 0.04 -0.48 0.00 0.37 0.00 0.00 175.52 175.45 1c8s h ALA 143 N 1.82 1.15 -0.05 6.16 0.00 0.57 -2.37 119.26 126.54 1c8s h ALA 143 Ca 0.15 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 1c8s h ALA 143 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1c8s h ALA 143 CO -0.03 0.61 -0.78 0.00 0.00 0.00 0.00 179.25 179.06 1c8s h ALA 144 N 1.46 0.57 -0.73 0.00 0.00 0.13 -3.02 119.26 117.67 1c8s h ALA 144 Ca 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 54.91 54.38 1c8s h ALA 144 Cb 0.87 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1c8s h ALA 144 CO 0.07 0.79 0.35 1.98 0.00 0.00 0.00 179.25 182.44 1c8s h MET 145 N 0.23 0.55 -0.14 0.00 -1.53 -0.61 -2.25 114.93 111.19 1c8s h MET 145 Ca -0.04 -0.03 -0.09 0.00 -3.44 0.00 0.00 59.70 56.10 1c8s h MET 145 Cb 1.37 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 32.28 1c8s h MET 145 CO 0.13 0.37 -0.30 -0.07 0.14 0.00 0.00 176.91 177.17 1c8s h LEU 146 N 0.57 0.27 -0.35 3.39 3.38 -1.42 0.29 115.31 121.44 1c8s h LEU 146 Ca 0.37 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.29 1c8s h LEU 146 Cb 0.44 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1c8s h LEU 146 CO -0.30 0.57 0.11 0.22 0.09 0.00 0.00 178.44 179.12 1c8s h TYR 147 N 0.24 0.18 0.23 1.13 3.20 -1.30 0.61 116.97 121.27 1c8s h TYR 147 Ca 0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1c8s h TYR 147 Cb 0.66 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1c8s h TYR 147 CO 0.01 0.07 -0.11 0.82 -1.64 0.00 0.00 178.16 177.31 1c8s h ILE 148 N 0.24 0.83 -0.94 1.81 2.04 -0.61 0.29 117.51 121.17 1c8s h ILE 148 Ca 0.16 -0.64 0.14 0.00 1.00 0.00 0.00 64.86 65.52 1c8s h ILE 148 Cb 0.15 1.19 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 1c8s h ILE 148 CO -0.18 0.14 0.60 -0.07 0.00 0.00 0.00 178.15 178.64 1c8s h LEU 149 N -0.65 0.75 -0.14 1.44 3.38 -0.43 0.33 115.31 119.99 1c8s h LEU 149 Ca -0.03 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1c8s h LEU 149 Cb 0.46 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1c8s h LEU 149 CO 0.05 0.37 -0.13 0.22 0.09 0.00 0.00 178.44 179.04 1c8s h TYR 150 N 0.79 0.40 -0.40 1.13 3.20 0.59 -2.83 116.97 119.86 1c8s h TYR 150 Ca 0.48 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 62.18 1c8s h TYR 150 Cb 0.69 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1c8s h TYR 150 CO -0.00 0.73 0.03 0.28 -1.64 0.00 0.00 178.16 177.55 1c8s h VAL 151 N -0.04 1.21 0.00 1.81 2.07 0.28 -3.08 116.25 118.50 1c8s h VAL 151 Ca 0.02 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1c8s h VAL 151 Cb 0.66 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1c8s h VAL 151 CO 0.03 0.29 0.08 -0.11 0.02 0.00 0.00 177.57 177.88 1c8s n LEU 152 N -4.27 2.18 0.00 2.57 0.00 0.11 -5.10 117.00 112.49 1c8s n LEU 152 Ca 0.02 -1.38 0.00 0.00 0.00 0.00 0.00 56.01 54.65 1c8s n LEU 152 Cb 0.25 -0.54 0.00 0.00 0.00 0.00 0.00 43.42 43.12 1c8s n LEU 152 CO 0.39 0.41 0.00 0.33 0.00 0.00 0.00 177.39 178.53 1c8s n PHE 153 N 2.41 0.00 0.00 1.96 -0.00 -1.17 -4.90 117.46 115.76 1c8s n PHE 153 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 1c8s n PHE 153 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.79 1c8s n PHE 153 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1c8s n ASN 176 N 0.00 2.01 0.07 -2.13 5.03 -1.26 -5.06 115.26 113.92 1c8s n ASN 176 Ca 0.00 -0.06 0.05 0.00 0.87 0.00 0.00 54.58 55.44 1c8s n ASN 176 Cb 0.00 0.52 -0.04 0.00 -1.02 0.00 0.00 39.78 39.24 1c8s n ASN 176 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1c8s h VAL 177 N 0.00 0.32 -0.19 2.41 2.07 -2.02 -3.29 116.25 115.55 1c8s h VAL 177 Ca 0.00 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 1c8s h VAL 177 Cb 0.00 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1c8s h VAL 177 CO 0.00 0.18 0.07 0.00 0.02 0.00 0.00 177.57 177.84 1c8s h THR 178 N 0.00 1.17 -0.36 2.57 1.03 -1.99 0.76 112.91 116.10 1c8s h THR 178 Ca -0.09 -0.54 0.04 0.00 -0.01 0.00 0.00 66.41 65.82 1c8s h THR 178 Cb 1.34 1.17 -0.08 0.00 -1.07 0.00 0.00 68.15 69.52 1c8s h THR 178 CO 0.03 0.17 -0.54 0.58 -0.01 0.00 0.00 175.52 175.75 1c8s h VAL 179 N 0.15 0.00 -0.64 0.00 2.07 -1.96 1.51 116.25 117.38 1c8s h VAL 179 Ca 0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 1c8s h VAL 179 Cb 0.20 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 1c8s h VAL 179 CO -0.00 0.00 0.24 0.58 0.02 0.00 0.00 177.57 178.41 1c8s h VAL 180 N -0.41 1.23 0.04 2.57 2.07 -1.60 0.20 116.25 120.34 1c8s h VAL 180 Ca 0.06 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1c8s h VAL 180 Cb 0.59 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1c8s h VAL 180 CO -0.55 0.29 -0.02 0.25 0.02 0.00 0.00 177.57 177.55 1c8s h LEU 181 N 0.92 -0.05 -0.80 2.57 5.85 0.42 -2.87 115.31 121.35 1c8s h LEU 181 Ca 0.21 -0.40 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 1c8s h LEU 181 Cb 0.20 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1c8s h LEU 181 CO -0.02 0.38 0.11 -0.50 -0.34 0.00 0.00 178.44 178.07 1c8s h TRP 182 N -0.49 1.07 0.00 1.25 4.06 0.22 -2.50 115.95 119.55 1c8s h TRP 182 Ca -0.01 -0.13 0.00 0.00 2.06 0.00 0.00 58.89 60.81 1c8s h TRP 182 Cb 0.45 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1c8s h TRP 182 CO 0.07 0.90 0.00 0.77 -3.56 0.00 0.00 178.44 176.62 1c8s h SER 183 N 0.95 0.00 0.81 -3.49 0.02 -0.60 -2.10 113.55 109.14 1c8s h SER 183 Ca 0.19 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1c8s h SER 183 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1c8s h SER 183 CO 0.01 0.00 -0.47 0.00 -1.14 0.00 0.00 176.83 175.23 1c8s h ALA 184 N 2.04 0.96 0.00 3.77 0.00 -1.21 -3.08 119.26 121.74 1c8s h ALA 184 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1c8s h ALA 184 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1c8s h ALA 184 CO 0.00 0.58 -0.04 1.88 0.00 0.00 0.00 179.25 181.68 1c8s h TYR 185 N 0.00 -0.09 -0.02 0.00 -1.99 -1.45 -0.51 116.97 112.91 1c8s h TYR 185 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1c8s h TYR 185 Cb 1.00 0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.77 1c8s h TYR 185 CO 0.00 -0.06 -0.03 -1.00 -0.00 0.00 0.00 178.16 177.07 1c8s h PRO 186 N -0.07 0.03 0.00 4.88 0.13 -1.71 -0.17 132.00 135.10 1c8s h PRO 186 Ca 0.02 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1c8s h PRO 186 Cb 0.09 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1c8s h PRO 186 CO -0.04 0.06 -0.00 0.28 -0.23 0.00 0.00 178.00 178.07 1c8s h VAL 187 N 0.03 1.33 -0.27 1.56 2.07 -1.35 -0.83 116.25 118.79 1c8s h VAL 187 Ca 0.01 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1c8s h VAL 187 Cb 0.08 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1c8s h VAL 187 CO 0.00 0.25 0.00 0.58 0.02 0.00 0.00 177.57 178.43 1c8s h VAL 188 N -0.42 1.17 -0.16 2.57 2.07 -0.84 -0.02 116.25 120.62 1c8s h VAL 188 Ca -0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1c8s h VAL 188 Cb 0.42 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1c8s h VAL 188 CO 0.00 0.22 0.11 -0.25 0.02 0.00 0.00 177.57 177.67 1c8s h TRP 189 N 0.40 0.21 0.36 1.57 7.01 -0.96 1.48 115.95 126.01 1c8s h TRP 189 Ca 0.09 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 1c8s h TRP 189 Cb 0.26 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1c8s h TRP 189 CO 0.01 0.14 -0.17 1.25 -2.79 0.00 0.00 178.44 176.87 1c8s h LEU 190 N 0.22 -0.41 -0.17 0.65 5.85 -0.20 -2.12 115.31 119.12 1c8s h LEU 190 Ca 0.06 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1c8s h LEU 190 Cb -0.02 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1c8s h LEU 190 CO -0.01 -0.22 0.00 0.16 -0.34 0.00 0.00 178.44 178.03 1c8s h ILE 191 N -0.58 0.00 -2.58 4.05 3.07 -1.00 0.69 117.51 121.16 1c8s h ILE 191 Ca -0.05 -0.46 -0.47 0.00 1.55 0.00 0.00 64.86 65.43 1c8s h ILE 191 Cb 0.43 1.41 0.23 0.00 -0.27 0.00 0.00 36.82 38.62 1c8s h ILE 191 CO 0.08 0.00 -0.93 0.61 -1.05 0.00 0.00 178.15 176.86 1c8s n GLY 192 N 1.01 -2.37 0.00 0.16 0.00 0.50 0.69 105.19 105.18 1c8s n GLY 192 Ca 0.05 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.38 1c8s n GLY 192 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c8s n SER 193 N -1.79 0.00 0.00 1.61 3.41 -1.25 -1.12 113.62 114.48 1c8s n SER 193 Ca 0.02 -1.10 0.10 0.00 -0.26 0.00 0.00 58.87 57.63 1c8s n SER 193 Cb 0.60 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 1c8s n SER 193 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1c8s n GLU 194 N -0.89 0.02 0.00 4.33 1.02 -1.26 -4.79 120.64 119.07 1c8s n GLU 194 Ca 0.17 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1c8s n GLU 194 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1c8s n GLU 194 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1c8s n GLY 195 N 1.49 1.53 0.27 0.62 0.00 -0.50 -4.93 105.19 103.66 1c8s n GLY 195 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1c8s n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c8s h ALA 196 N 0.37 1.40 -1.80 4.61 0.00 0.42 -3.46 119.26 120.80 1c8s h ALA 196 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1c8s h ALA 196 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1c8s h ALA 196 CO 0.00 0.12 -0.01 0.41 0.00 0.00 0.00 179.25 179.77 1c8s n GLY 197 N -0.89 0.56 0.08 0.00 0.00 -0.27 -5.00 105.19 99.66 1c8s n GLY 197 Ca -0.02 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 1c8s n GLY 197 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1c8s n ILE 198 N -1.41 1.10 -5.03 -0.61 2.08 0.22 -4.87 119.36 110.84 1c8s n ILE 198 Ca -0.00 -0.72 -0.28 0.00 0.56 0.00 0.00 62.75 62.31 1c8s n ILE 198 Cb 0.50 -0.57 -0.16 0.00 -0.75 0.00 0.00 39.64 38.66 1c8s n ILE 198 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1c8s s VAL 199 N -2.87 1.66 0.90 1.39 -7.23 -0.86 -5.05 120.40 108.35 1c8s s VAL 199 Ca -0.06 -0.88 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 1c8s s VAL 199 Cb 0.09 -1.39 0.13 0.00 0.56 0.00 0.00 36.38 35.77 1c8s s VAL 199 CO 0.83 0.47 1.10 -2.84 -0.31 0.00 0.00 175.10 174.35 1c8s s PRO 200 N -0.35 1.20 0.23 4.82 0.02 -1.26 -3.76 135.00 135.90 1c8s s PRO 200 Ca 0.04 1.13 -0.07 0.00 0.02 0.00 0.00 61.00 62.13 1c8s s PRO 200 Cb -0.09 -1.78 0.35 0.00 0.02 0.00 0.00 34.50 33.00 1c8s s PRO 200 CO 0.00 -2.37 1.76 1.25 -0.33 0.00 0.00 177.00 177.31 1c8s h LEU 201 N -1.66 0.39 -1.88 -5.54 6.46 -1.97 -1.09 115.31 110.01 1c8s h LEU 201 Ca -0.47 0.07 0.27 0.00 -0.12 0.00 0.00 57.88 57.63 1c8s h LEU 201 Cb 1.27 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.18 1c8s h LEU 201 CO 0.49 0.21 0.76 -1.13 -0.62 0.00 0.00 178.44 178.15 1c8s h ASN 202 N 0.54 0.00 0.00 1.25 -1.24 -1.95 0.25 115.58 114.43 1c8s h ASN 202 Ca 0.36 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 57.00 1c8s h ASN 202 Cb 0.42 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.41 1c8s h ASN 202 CO -0.30 0.00 -2.40 -0.38 -1.29 0.00 0.00 177.43 173.06 1c8s n ILE 203 N -3.95 1.40 -0.35 2.57 -0.00 -0.49 -3.64 119.36 114.90 1c8s n ILE 203 Ca 0.19 -0.79 0.00 0.00 -0.00 0.00 0.00 62.75 62.16 1c8s n ILE 203 Cb 1.07 -0.67 0.16 0.00 -0.00 0.00 0.00 39.64 40.21 1c8s n ILE 203 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 1c8s h GLU 204 N 0.00 1.19 -0.33 0.38 4.81 -0.43 0.19 114.58 120.38 1c8s h GLU 204 Ca -0.55 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.60 1c8s h GLU 204 Cb 2.17 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 31.26 1c8s h GLU 204 CO 0.00 0.79 0.17 1.15 -0.73 0.00 0.00 179.01 180.39 1c8s h THR 205 N 1.22 1.15 -0.04 0.32 2.02 -1.17 -0.87 112.91 115.54 1c8s h THR 205 Ca 0.38 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 67.18 1c8s h THR 205 Cb -0.01 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 1c8s h THR 205 CO -0.11 0.15 -0.46 0.25 0.37 0.00 0.00 175.52 175.72 1c8s h LEU 206 N 0.41 -1.41 -1.09 2.58 5.85 -1.54 0.30 115.31 120.40 1c8s h LEU 206 Ca 0.12 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 1c8s h LEU 206 Cb 0.09 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1c8s h LEU 206 CO -0.02 -0.47 0.20 -0.07 -0.34 0.00 0.00 178.44 177.74 1c8s h LEU 207 N -0.58 0.78 -0.47 2.25 3.38 -0.77 -1.84 115.31 118.05 1c8s h LEU 207 Ca 0.05 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1c8s h LEU 207 Cb 0.67 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1c8s h LEU 207 CO -0.36 0.72 0.08 -0.26 0.09 0.00 0.00 178.44 178.71 1c8s h PHE 208 N 0.83 0.82 -0.15 1.13 0.04 -0.85 0.02 116.94 118.79 1c8s h PHE 208 Ca 0.19 -0.11 0.05 0.00 2.80 0.00 0.00 57.97 60.90 1c8s h PHE 208 Cb 0.21 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.07 1c8s h PHE 208 CO 0.01 0.76 -0.22 1.98 -0.60 0.00 0.00 178.31 180.24 1c8s h MET 209 N 0.64 -0.27 -0.90 1.51 4.05 -0.50 1.54 114.93 121.00 1c8s h MET 209 Ca 0.14 0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.69 1c8s h MET 209 Cb 0.38 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 31.16 1c8s h MET 209 CO 0.01 -0.18 0.54 0.28 0.23 0.00 0.00 176.91 177.79 1c8s h VAL 210 N -0.28 0.91 -0.08 -5.77 2.07 -1.30 0.51 116.25 112.31 1c8s h VAL 210 Ca 0.11 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1c8s h VAL 210 Cb 0.43 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1c8s h VAL 210 CO -0.31 0.16 0.02 -0.07 0.02 0.00 0.00 177.57 177.39 1c8s h LEU 211 N 0.87 0.11 -0.37 2.57 3.38 0.11 -2.47 115.31 119.53 1c8s h LEU 211 Ca 0.44 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1c8s h LEU 211 Cb 0.43 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1c8s h LEU 211 CO -0.26 0.30 0.09 0.44 0.09 0.00 0.00 178.44 179.10 1c8s h ASP 212 N -0.08 0.56 -0.73 -0.43 3.32 0.32 -2.03 116.42 117.35 1c8s h ASP 212 Ca 0.02 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1c8s h ASP 212 Cb 0.23 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1c8s h ASP 212 CO -0.00 0.64 0.46 0.58 -1.72 0.00 0.00 179.24 179.20 1c8s h VAL 213 N 0.45 1.20 -0.26 -1.35 2.07 -0.05 1.23 116.25 119.54 1c8s h VAL 213 Ca 0.12 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1c8s h VAL 213 Cb 0.30 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1c8s h VAL 213 CO 0.00 0.20 -0.15 0.28 0.02 0.00 0.00 177.57 177.92 1c8s h SER 214 N 1.00 0.43 0.02 0.57 0.02 -1.24 0.51 113.55 114.86 1c8s h SER 214 Ca 0.26 -0.12 -0.16 0.00 -0.84 0.00 0.00 61.79 60.94 1c8s h SER 214 Cb -0.07 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.37 1c8s h SER 214 CO -0.05 0.61 -0.65 0.00 -1.14 0.00 0.00 176.83 175.60 1c8s h ALA 215 N 1.43 0.05 -0.08 3.77 0.00 -0.80 1.12 119.26 124.75 1c8s h ALA 215 Ca 0.07 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 1c8s h ALA 215 Cb 0.51 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1c8s h ALA 215 CO 0.03 0.37 -0.45 0.87 0.00 0.00 0.00 179.25 180.07 1c8s h LYS 216 N -0.13 0.45 0.00 0.00 6.56 0.18 -3.34 116.57 120.29 1c8s h LYS 216 Ca -0.09 -0.38 -0.20 0.00 -1.06 0.00 0.00 60.65 58.93 1c8s h LYS 216 Cb 1.38 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 33.09 1c8s h LYS 216 CO 0.13 1.01 -1.61 0.28 -2.06 0.00 0.00 179.45 177.20 1c8s n VAL 217 N -4.29 1.42 -0.06 0.50 0.31 0.17 -4.06 118.33 112.32 1c8s n VAL 217 Ca -0.08 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.07 1c8s n VAL 217 Cb 0.57 -2.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.41 1c8s n VAL 217 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1c8s h GLY 218 N -0.89 0.33 0.95 2.92 0.00 -0.86 0.76 103.07 106.27 1c8s h GLY 218 Ca -0.30 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 46.93 1c8s h GLY 218 CO -0.18 0.12 0.64 -2.75 0.00 0.00 0.00 176.54 174.37 1c8s h PHE 219 N 0.31 1.21 -0.49 5.60 3.04 0.12 1.54 116.94 128.26 1c8s h PHE 219 Ca 0.08 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 1c8s h PHE 219 Cb -0.03 -0.41 -0.02 0.00 2.56 0.00 0.00 35.95 38.05 1c8s h PHE 219 CO -0.06 0.73 0.22 0.78 -2.02 0.00 0.00 178.31 177.96 1c8s h GLY 220 N 1.28 0.78 0.99 2.40 0.00 -1.55 -3.07 103.07 103.90 1c8s h GLY 220 Ca 0.37 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1c8s h GLY 220 CO -0.10 0.38 -0.41 1.41 0.00 0.00 0.00 176.54 177.82 1c8s h LEU 221 N 0.66 -0.98 0.00 3.11 3.38 0.23 -3.51 115.31 118.19 1c8s h LEU 221 Ca 0.17 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1c8s h LEU 221 Cb 0.15 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1c8s h LEU 221 CO -0.02 -0.69 0.00 -0.38 0.09 0.00 0.00 178.44 177.44