#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2s n VAL 2 N 0.00 -3.29 1.20 2.03 0.31 -1.26 -4.95 118.33 112.37 1h2s n VAL 2 Ca 0.00 0.21 0.13 0.00 -0.01 0.00 0.00 64.34 64.67 1h2s n VAL 2 Cb 0.00 -4.39 0.27 0.00 -0.91 0.00 0.00 33.84 28.80 1h2s n VAL 2 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1h2s n GLY 3 N -0.03 0.53 0.11 2.92 0.00 -1.26 -4.06 105.19 103.40 1h2s n GLY 3 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1h2s n GLY 3 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h2s h LEU 4 N 3.61 -0.16 -1.43 0.99 3.38 -1.97 -0.30 115.31 119.43 1h2s h LEU 4 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1h2s h LEU 4 Cb 0.78 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1h2s h LEU 4 CO 0.00 -0.05 0.35 0.71 0.09 0.00 0.00 178.44 179.54 1h2s h THR 5 N -0.26 1.15 -0.72 0.22 1.35 -1.89 -0.23 112.91 112.53 1h2s h THR 5 Ca -0.02 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.50 1h2s h THR 5 Cb 0.21 0.35 -0.03 0.00 -1.73 0.00 0.00 68.15 66.94 1h2s h THR 5 CO 0.03 0.15 0.26 0.74 -0.25 0.00 0.00 175.52 176.45 1h2s h THR 6 N 0.76 1.25 -0.54 6.82 2.02 -1.64 -0.34 112.91 121.23 1h2s h THR 6 Ca 0.20 -0.84 -0.11 0.00 0.77 0.00 0.00 66.41 66.43 1h2s h THR 6 Cb -0.06 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1h2s h THR 6 CO -0.04 0.33 -0.11 -0.07 0.37 0.00 0.00 175.52 176.00 1h2s h LEU 7 N 1.04 1.03 -0.57 2.58 3.38 0.11 -1.25 115.31 121.64 1h2s h LEU 7 Ca 0.23 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1h2s h LEU 7 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1h2s h LEU 7 CO -0.01 1.14 0.13 -0.26 0.09 0.00 0.00 178.44 179.53 1h2s h PHE 8 N 0.92 0.96 -0.76 1.13 0.04 -0.68 -1.09 116.94 117.45 1h2s h PHE 8 Ca 0.14 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1h2s h PHE 8 Cb 0.68 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 1h2s h PHE 8 CO 0.05 0.83 0.33 -1.49 -0.60 0.00 0.00 178.31 177.42 1h2s h TRP 9 N 0.82 1.13 -0.76 -0.55 -0.00 -0.92 0.30 115.95 115.98 1h2s h TRP 9 Ca 0.18 -0.07 -0.04 0.00 -0.00 0.00 0.00 58.89 58.96 1h2s h TRP 9 Cb 0.36 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.16 29.14 1h2s h TRP 9 CO 0.03 0.85 0.33 -0.07 -0.00 0.00 0.00 178.44 179.57 1h2s h LEU 10 N 1.10 1.02 -0.58 -4.49 3.38 -0.84 0.01 115.31 114.91 1h2s h LEU 10 Ca 0.26 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1h2s h LEU 10 Cb 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1h2s h LEU 10 CO -0.03 0.88 0.03 1.23 0.09 0.00 0.00 178.44 180.64 1h2s h GLY 11 N 1.13 1.08 0.97 0.83 0.00 -0.54 -1.30 103.07 105.24 1h2s h GLY 11 Ca 0.26 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1h2s h GLY 11 CO -0.03 0.71 0.25 0.00 0.00 0.00 0.00 176.54 177.48 1h2s h ALA 12 N 0.98 0.62 -0.27 3.60 0.00 -0.48 -0.75 119.26 122.97 1h2s h ALA 12 Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h2s h ALA 12 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1h2s h ALA 12 CO 0.02 0.15 0.14 0.82 0.00 0.00 0.00 179.25 180.38 1h2s h ILE 13 N 0.63 1.14 -0.51 0.00 2.04 -0.86 0.27 117.51 120.21 1h2s h ILE 13 Ca 0.17 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1h2s h ILE 13 Cb 0.08 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1h2s h ILE 13 CO -0.02 0.14 0.33 1.23 0.00 0.00 0.00 178.15 179.82 1h2s h GLY 14 N 0.31 0.73 1.17 5.37 0.00 -1.04 -0.08 103.07 109.53 1h2s h GLY 14 Ca 0.09 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1h2s h GLY 14 CO -0.01 0.28 0.12 -0.33 0.00 0.00 0.00 176.54 176.59 1h2s h MET 15 N 0.69 1.02 -0.47 4.80 2.86 -0.96 -1.72 114.93 121.16 1h2s h MET 15 Ca 0.19 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1h2s h MET 15 Cb -0.06 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 1h2s h MET 15 CO -0.04 0.93 0.15 -0.07 1.06 0.00 0.00 176.91 178.94 1h2s h LEU 16 N 0.97 0.68 -0.43 1.22 3.38 -0.51 0.12 115.31 120.73 1h2s h LEU 16 Ca 0.20 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h2s h LEU 16 Cb 0.39 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1h2s h LEU 16 CO 0.01 0.70 0.26 0.58 0.09 0.00 0.00 178.44 180.08 1h2s h VAL 17 N 0.62 1.13 -0.40 1.22 2.07 -0.86 -0.74 116.25 119.29 1h2s h VAL 17 Ca 0.15 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1h2s h VAL 17 Cb 0.26 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1h2s h VAL 17 CO -0.01 0.13 0.21 1.23 0.02 0.00 0.00 177.57 179.16 1h2s h GLY 18 N 0.57 0.61 0.69 2.17 0.00 -1.02 -0.86 103.07 105.23 1h2s h GLY 18 Ca 0.15 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.26 1h2s h GLY 18 CO -0.03 0.27 0.33 -0.84 0.00 0.00 0.00 176.54 176.27 1h2s h THR 19 N 0.51 0.96 -0.41 4.70 2.02 -0.31 -0.27 112.91 120.12 1h2s h THR 19 Ca 0.14 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 1h2s h THR 19 Cb 0.08 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1h2s h THR 19 CO -0.02 0.11 -0.24 -0.07 0.37 0.00 0.00 175.52 175.67 1h2s h LEU 20 N 0.62 0.86 -0.23 2.58 3.38 -0.93 -1.58 115.31 120.01 1h2s h LEU 20 Ca 0.28 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1h2s h LEU 20 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1h2s h LEU 20 CO -0.18 1.06 0.06 0.00 0.09 0.00 0.00 178.44 179.47 1h2s h ALA 21 N 1.00 0.30 -0.48 1.53 0.00 -0.45 -1.28 119.26 119.88 1h2s h ALA 21 Ca 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1h2s h ALA 21 Cb 0.77 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1h2s h ALA 21 CO 0.06 -0.07 0.09 0.74 0.00 0.00 0.00 179.25 180.08 1h2s h PHE 22 N 0.19 0.83 -0.28 0.00 0.04 -1.05 -0.35 116.94 116.33 1h2s h PHE 22 Ca 0.07 -0.11 0.02 0.00 2.80 0.00 0.00 57.97 60.75 1h2s h PHE 22 Cb 0.25 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1h2s h PHE 22 CO 0.01 0.76 0.15 0.00 -0.60 0.00 0.00 178.31 178.63 1h2s h ALA 23 N 0.97 0.34 -0.37 2.45 0.00 -1.19 -1.89 119.26 119.57 1h2s h ALA 23 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1h2s h ALA 23 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1h2s h ALA 23 CO 0.01 -0.24 0.12 2.35 0.00 0.00 0.00 179.25 181.49 1h2s h TRP 24 N 0.30 0.59 0.00 0.00 2.91 -1.13 -2.67 115.95 115.96 1h2s h TRP 24 Ca 0.11 -0.06 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 1h2s h TRP 24 Cb 0.02 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 28.50 1h2s h TRP 24 CO -0.09 0.56 -0.01 0.00 -1.03 0.00 0.00 178.44 177.87 1h2s h ALA 25 N 0.96 1.44 -0.70 2.65 0.00 -0.83 -1.49 119.26 121.28 1h2s h ALA 25 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1h2s h ALA 25 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1h2s h ALA 25 CO -0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1h2s n GLY 26 N -1.23 2.53 0.30 0.00 0.00 -0.73 -4.56 105.19 101.50 1h2s n GLY 26 Ca -0.03 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.26 1h2s n GLY 26 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1h2s h ARG 27 N 4.11 0.70 -0.35 1.61 0.11 -1.03 -2.28 114.38 117.25 1h2s h ARG 27 Ca 0.00 -0.04 -0.16 0.00 0.10 0.00 0.00 59.98 59.88 1h2s h ARG 27 Cb 0.98 -0.16 -0.09 0.00 1.11 0.00 0.00 29.97 31.81 1h2s h ARG 27 CO 0.00 0.46 -0.03 -0.25 0.10 0.00 0.00 179.97 180.25 1h2s n ASP 28 N -4.79 2.78 -4.76 0.08 8.00 -1.26 -5.03 116.55 111.56 1h2s n ASP 28 Ca 0.13 -3.62 -0.37 0.00 0.71 0.00 0.00 54.79 51.64 1h2s n ASP 28 Cb 0.29 -0.62 0.01 0.00 -0.02 0.00 0.00 41.12 40.78 1h2s n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2s s ALA 29 N -3.17 2.86 1.15 2.24 0.00 -0.86 -5.02 121.76 118.97 1h2s s ALA 29 Ca 0.44 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 53.25 1h2s s ALA 29 Cb 0.40 -3.43 0.27 0.00 0.00 0.00 0.00 23.12 20.35 1h2s s ALA 29 CO 0.02 -0.89 1.13 0.20 0.00 0.00 0.00 175.76 176.22 1h2s s GLY 30 N -1.33 1.60 0.00 0.00 0.00 -1.26 -4.73 107.32 101.60 1h2s s GLY 30 Ca 0.68 -0.93 0.18 0.00 0.00 0.00 0.00 44.72 44.65 1h2s s GLY 30 CO 0.37 -0.08 1.58 -1.26 0.00 0.00 0.00 173.10 173.70 1h2s n SER 31 N -4.59 0.00 -0.09 1.64 2.88 -1.26 -1.40 113.62 110.80 1h2s n SER 31 Ca 0.13 0.49 -0.10 0.00 -1.33 0.00 0.00 58.87 58.05 1h2s n SER 31 Cb 0.59 -0.49 -0.16 0.00 -0.75 0.00 0.00 64.21 63.40 1h2s n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h2s n GLY 32 N 0.36 -0.99 0.11 0.46 0.00 -1.26 -4.40 105.19 99.47 1h2s n GLY 32 Ca 0.04 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1h2s n GLY 32 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h2s h GLU 33 N 0.00 0.00 -0.90 1.61 5.08 -1.88 -3.41 114.58 115.08 1h2s h GLU 33 Ca -0.51 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 57.94 1h2s h GLU 33 Cb 2.21 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 31.34 1h2s h GLU 33 CO 0.04 0.12 -0.54 -0.09 -1.00 0.00 0.00 179.01 177.53 1h2s h ARG 34 N 0.00 -0.06 -0.97 2.33 9.65 -1.44 -0.52 114.38 123.37 1h2s h ARG 34 Ca -0.06 0.00 0.22 0.00 -1.10 0.00 0.00 59.98 59.05 1h2s h ARG 34 Cb 1.22 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.73 1h2s h ARG 34 CO 0.02 -0.04 0.63 0.00 2.80 0.00 0.00 179.97 183.38 1h2s h ARG 35 N -0.06 0.44 0.02 0.20 3.08 -1.86 -1.27 114.38 114.93 1h2s h ARG 35 Ca 0.18 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1h2s h ARG 35 Cb 0.47 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1h2s h ARG 35 CO -0.89 0.29 -0.01 1.88 -1.07 0.00 0.00 179.97 180.17 1h2s h TYR 36 N 0.46 -0.03 -0.67 3.04 0.05 -1.39 -0.61 116.97 117.82 1h2s h TYR 36 Ca 0.53 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.23 1h2s h TYR 36 Cb 1.25 0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.97 1h2s h TYR 36 CO -0.00 0.16 0.10 1.88 -1.05 0.00 0.00 178.16 179.24 1h2s h TYR 37 N -0.22 1.19 -0.74 4.88 0.05 -1.19 -2.00 116.97 118.94 1h2s h TYR 37 Ca -0.00 -0.17 -0.05 0.00 0.05 0.00 0.00 58.73 58.56 1h2s h TYR 37 Cb 0.20 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 1h2s h TYR 37 CO -0.01 1.00 0.27 0.28 -1.05 0.00 0.00 178.16 178.65 1h2s h VAL 38 N 1.03 1.25 -0.33 -2.88 2.07 -1.18 -1.70 116.25 114.52 1h2s h VAL 38 Ca 0.20 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1h2s h VAL 38 Cb 0.46 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1h2s h VAL 38 CO 0.02 0.33 0.06 0.74 0.02 0.00 0.00 177.57 178.74 1h2s h THR 39 N 1.08 1.23 -0.76 2.57 2.02 -0.85 -1.55 112.91 116.65 1h2s h THR 39 Ca 0.24 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.65 1h2s h THR 39 Cb 0.24 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1h2s h THR 39 CO -0.02 0.26 0.50 -0.07 0.37 0.00 0.00 175.52 176.56 1h2s h LEU 40 N 0.37 0.85 -0.90 2.58 3.38 -1.11 0.12 115.31 120.60 1h2s h LEU 40 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1h2s h LEU 40 Cb 0.33 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1h2s h LEU 40 CO 0.00 0.61 0.58 0.58 0.09 0.00 0.00 178.44 180.30 1h2s h VAL 41 N 1.01 1.24 -0.47 1.22 2.07 -1.11 -2.09 116.25 118.12 1h2s h VAL 41 Ca 0.29 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 1h2s h VAL 41 Cb -0.08 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.61 1h2s h VAL 41 CO -0.08 0.24 -0.18 1.23 0.02 0.00 0.00 177.57 178.81 1h2s h GLY 42 N 1.23 1.01 0.98 2.17 0.00 -0.37 0.17 103.07 108.27 1h2s h GLY 42 Ca 0.33 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1h2s h GLY 42 CO -0.07 0.78 -0.27 -2.22 0.00 0.00 0.00 176.54 174.76 1h2s h ILE 43 N 0.82 0.45 -0.04 2.60 2.04 -0.61 -1.91 117.51 120.86 1h2s h ILE 43 Ca 0.12 -0.05 -0.17 0.00 1.00 0.00 0.00 64.86 65.76 1h2s h ILE 43 Cb 0.73 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1h2s h ILE 43 CO 0.06 0.01 -0.71 0.77 0.00 0.00 0.00 178.15 178.28 1h2s h SER 44 N -0.78 0.28 -0.18 1.72 4.64 -1.43 -2.89 113.55 114.91 1h2s h SER 44 Ca -0.08 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1h2s h SER 44 Cb 0.59 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1h2s h SER 44 CO 0.12 0.90 0.06 1.23 -0.87 0.00 0.00 176.83 178.28 1h2s h GLY 45 N 1.60 0.30 1.00 -0.77 0.00 -0.62 0.73 103.07 105.30 1h2s h GLY 45 Ca -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1h2s h GLY 45 CO 0.11 0.16 0.19 -2.22 0.00 0.00 0.00 176.54 174.78 1h2s h ILE 46 N 0.12 1.24 -0.77 2.60 2.04 -1.42 -2.04 117.51 119.28 1h2s h ILE 46 Ca 0.06 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.15 1h2s h ILE 46 Cb 0.21 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1h2s h ILE 46 CO -0.00 0.30 0.49 0.00 0.00 0.00 0.00 178.15 178.94 1h2s h ALA 47 N 1.05 1.00 -0.62 1.87 0.00 -1.28 -1.47 119.26 119.80 1h2s h ALA 47 Ca 0.19 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1h2s h ALA 47 Cb 0.27 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1h2s h ALA 47 CO -0.01 0.32 0.33 0.00 0.00 0.00 0.00 179.25 179.89 1h2s h ALA 48 N 1.31 0.82 -0.44 0.00 0.00 -0.48 -1.11 119.26 119.37 1h2s h ALA 48 Ca 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1h2s h ALA 48 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1h2s h ALA 48 CO -0.10 -0.01 0.23 0.28 0.00 0.00 0.00 179.25 179.65 1h2s h VAL 49 N 0.61 1.16 -0.56 0.00 2.07 -0.59 -1.31 116.25 117.63 1h2s h VAL 49 Ca 0.28 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.41 1h2s h VAL 49 Cb 0.19 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1h2s h VAL 49 CO -0.19 0.17 0.31 0.00 0.02 0.00 0.00 177.57 177.89 1h2s h ALA 50 N 1.08 0.72 -0.63 1.67 0.00 -0.82 -0.52 119.26 120.77 1h2s h ALA 50 Ca 0.15 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1h2s h ALA 50 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1h2s h ALA 50 CO -0.02 -0.00 0.08 1.88 0.00 0.00 0.00 179.25 181.19 1h2s h TYR 51 N 0.61 1.11 -0.44 0.00 0.05 -0.96 -1.39 116.97 115.95 1h2s h TYR 51 Ca 0.24 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 1h2s h TYR 51 Cb 0.09 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 1h2s h TYR 51 CO -0.08 0.94 0.17 0.28 -1.05 0.00 0.00 178.16 178.42 1h2s h VAL 52 N 0.97 1.21 -0.38 -2.88 2.07 -0.78 0.14 116.25 116.60 1h2s h VAL 52 Ca 0.19 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1h2s h VAL 52 Cb 0.45 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1h2s h VAL 52 CO 0.01 0.23 0.19 0.58 0.02 0.00 0.00 177.57 178.61 1h2s h VAL 53 N 0.57 0.99 -0.61 2.57 2.07 -0.81 -0.97 116.25 120.05 1h2s h VAL 53 Ca 0.15 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1h2s h VAL 53 Cb 0.20 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1h2s h VAL 53 CO -0.01 0.07 0.03 0.24 0.02 0.00 0.00 177.57 177.92 1h2s h MET 54 N 0.40 1.04 -0.09 1.57 2.07 -1.01 -1.55 114.93 117.35 1h2s h MET 54 Ca 0.16 -0.31 -0.01 0.00 -2.07 0.00 0.00 59.70 57.47 1h2s h MET 54 Cb 0.06 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 29.68 1h2s h MET 54 CO -0.11 1.00 0.02 0.00 1.07 0.00 0.00 176.91 178.90 1h2s h ALA 55 N 1.06 1.87 -0.02 6.32 0.00 -0.26 -0.20 119.26 128.02 1h2s h ALA 55 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1h2s h ALA 55 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1h2s h ALA 55 CO 0.02 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1h2s n LEU 56 N -4.48 0.27 -0.02 0.00 4.77 -0.41 -4.84 117.00 112.29 1h2s n LEU 56 Ca -0.02 -0.11 -0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1h2s n LEU 56 Cb 0.12 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1h2s n LEU 56 CO 0.35 0.05 -0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1h2s n GLY 57 N 0.90 0.38 3.66 -0.72 0.00 -0.09 -5.05 105.19 104.27 1h2s n GLY 57 Ca 0.17 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1h2s n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h2s s VAL 58 N -2.01 4.19 0.00 1.61 1.01 -0.63 -4.49 120.40 120.08 1h2s s VAL 58 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1h2s s VAL 58 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1h2s s VAL 58 CO 0.00 0.60 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1h2s n GLY 59 N 2.23 0.66 3.66 4.51 0.00 -1.26 -3.92 105.19 111.08 1h2s n GLY 59 Ca -0.18 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1h2s n GLY 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h2s s TRP 60 N -2.00 3.38 -0.34 1.61 0.52 -1.26 -1.45 118.94 119.40 1h2s s TRP 60 Ca 0.00 1.39 0.04 0.00 0.02 0.00 0.00 56.10 57.54 1h2s s TRP 60 Cb 0.00 -3.16 0.10 0.00 -1.15 0.00 0.00 33.47 29.26 1h2s s TRP 60 CO 0.00 -0.37 0.06 0.08 0.02 0.00 0.00 176.95 176.73 1h2s s VAL 61 N 2.72 2.19 -0.69 4.03 1.01 0.37 -4.99 120.40 125.04 1h2s s VAL 61 Ca 0.42 -2.30 -0.17 0.00 0.00 0.00 0.00 61.98 59.93 1h2s s VAL 61 Cb -0.16 -2.62 -0.14 0.00 0.00 0.00 0.00 36.38 33.46 1h2s s VAL 61 CO 0.10 -0.61 1.88 -2.65 0.00 0.00 0.00 175.10 173.82 1h2s n PRO 62 N 4.27 1.43 -1.59 2.72 -0.02 -1.26 -1.56 135.00 138.99 1h2s n PRO 62 Ca 0.04 -1.56 -0.35 0.00 -2.02 0.00 0.00 63.50 59.61 1h2s n PRO 62 Cb 0.42 -2.68 0.08 0.00 -0.02 0.00 0.00 33.50 31.30 1h2s n PRO 62 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1h2s s VAL 63 N 4.72 2.32 0.00 -1.45 1.01 0.28 -4.48 120.40 122.80 1h2s s VAL 63 Ca 0.49 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1h2s s VAL 63 Cb 0.12 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1h2s s VAL 63 CO 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.12 1h2s n ALA 64 N -2.39 0.00 -1.94 5.51 0.00 -1.26 0.23 120.51 120.66 1h2s n ALA 64 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.41 1h2s n ALA 64 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 1h2s n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1h2s n GLU 65 N 0.00 -1.66 -4.02 0.00 1.02 -1.26 -4.94 120.64 109.78 1h2s n GLU 65 Ca 0.00 0.88 -0.09 0.00 -0.02 0.00 0.00 57.16 57.93 1h2s n GLU 65 Cb 0.00 -5.35 -0.08 0.00 -0.02 0.00 0.00 31.44 25.98 1h2s n GLU 65 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1h2s s ARG 66 N -4.20 0.95 -0.19 3.49 1.70 0.63 -5.15 118.95 116.18 1h2s s ARG 66 Ca 0.00 -1.23 0.01 0.00 -0.47 0.00 0.00 55.73 54.04 1h2s s ARG 66 Cb 0.00 0.30 0.03 0.00 -0.57 0.00 0.00 34.95 34.71 1h2s s ARG 66 CO 0.00 -0.30 -0.16 0.99 -1.08 0.00 0.00 175.30 174.75 1h2s s THR 67 N -3.97 1.90 0.17 4.99 2.01 -1.26 -0.56 115.64 118.92 1h2s s THR 67 Ca 0.16 -0.97 0.09 0.00 0.31 0.00 0.00 61.69 61.28 1h2s s THR 67 Cb 0.06 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 1h2s s THR 67 CO -0.03 0.39 -0.13 0.68 -0.69 0.00 0.00 174.62 174.85 1h2s s VAL 68 N 1.33 3.01 -0.31 3.82 -7.23 -0.60 -4.85 120.40 115.57 1h2s s VAL 68 Ca 0.02 -1.69 -0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1h2s s VAL 68 Cb -0.14 -2.47 0.07 0.00 0.56 0.00 0.00 36.38 34.40 1h2s s VAL 68 CO -0.11 -0.08 0.02 -0.36 -0.31 0.00 0.00 175.10 174.26 1h2s s PHE 69 N -1.61 3.39 0.20 2.82 0.08 -1.26 -0.48 117.98 121.12 1h2s s PHE 69 Ca 0.23 -2.23 -0.11 0.00 0.12 0.00 0.00 56.93 54.94 1h2s s PHE 69 Cb -0.09 -2.37 0.21 0.00 -0.57 0.00 0.00 43.02 40.20 1h2s s PHE 69 CO 0.14 -0.87 1.77 0.00 -0.10 0.00 0.00 175.22 176.15 1h2s h ALA 70 N 7.90 0.73 -0.62 5.36 0.00 -1.61 -2.22 119.26 128.80 1h2s h ALA 70 Ca -0.17 0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1h2s h ALA 70 Cb 1.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1h2s h ALA 70 CO 0.54 -0.13 0.42 -1.35 0.00 0.00 0.00 179.25 178.74 1h2s h PRO 71 N 0.47 0.29 0.21 0.00 0.11 -1.87 -1.64 132.00 129.56 1h2s h PRO 71 Ca 0.27 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 1h2s h PRO 71 Cb 0.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1h2s h PRO 71 CO -0.23 0.19 -0.16 -0.09 -0.21 0.00 0.00 178.00 177.50 1h2s h ARG 72 N 0.30 -0.36 -0.17 1.05 2.43 -1.73 0.38 114.38 116.28 1h2s h ARG 72 Ca 0.30 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.38 1h2s h ARG 72 Cb 0.76 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1h2s h ARG 72 CO -0.07 -0.24 -0.36 1.88 -1.51 0.00 0.00 179.97 179.67 1h2s h TYR 73 N -0.38 0.42 -0.34 2.20 0.05 -1.43 -1.46 116.97 116.03 1h2s h TYR 73 Ca -0.01 -0.11 -0.06 0.00 0.05 0.00 0.00 58.73 58.60 1h2s h TYR 73 Cb 0.33 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1h2s h TYR 73 CO -0.11 0.68 -0.03 0.82 -1.05 0.00 0.00 178.16 178.46 1h2s h ILE 74 N 0.31 1.27 -0.05 -2.88 1.08 -1.17 -1.07 117.51 115.00 1h2s h ILE 74 Ca 0.03 -1.05 0.04 0.00 -0.39 0.00 0.00 64.86 63.50 1h2s h ILE 74 Cb 0.78 1.26 -0.05 0.00 -3.07 0.00 0.00 36.82 35.74 1h2s h ILE 74 CO 0.06 0.34 -0.28 -0.78 -0.69 0.00 0.00 178.15 176.81 1h2s h ASP 75 N 0.43 -0.84 -0.47 1.72 1.82 -0.70 -2.05 116.42 116.32 1h2s h ASP 75 Ca 0.09 0.12 0.05 0.00 -0.39 0.00 0.00 57.03 56.90 1h2s h ASP 75 Cb 0.51 0.35 -0.05 0.00 0.68 0.00 0.00 39.33 40.82 1h2s h ASP 75 CO 0.02 -0.34 0.21 -0.50 -1.61 0.00 0.00 179.24 177.02 1h2s h TRP 76 N -0.40 0.37 -0.90 0.28 6.55 -1.08 0.31 115.95 121.09 1h2s h TRP 76 Ca 0.08 0.02 0.11 0.00 0.95 0.00 0.00 58.89 60.04 1h2s h TRP 76 Cb 0.51 -0.10 -0.07 0.00 -0.86 0.00 0.00 29.16 28.64 1h2s h TRP 76 CO -0.33 0.16 0.58 0.82 -1.05 0.00 0.00 178.44 178.62 1h2s h ILE 77 N 0.41 0.95 0.00 1.49 2.04 -0.84 -1.76 117.51 119.80 1h2s h ILE 77 Ca 0.21 -0.30 -0.22 0.00 1.00 0.00 0.00 64.86 65.56 1h2s h ILE 77 Cb 0.17 -0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 1h2s h ILE 77 CO -0.18 0.16 -1.59 0.18 0.00 0.00 0.00 178.15 176.72 1h2s n LEU 78 N -4.54 0.79 -0.05 1.44 4.77 -0.79 -4.44 117.00 114.17 1h2s n LEU 78 Ca 0.16 0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 56.32 1h2s n LEU 78 Cb 0.33 0.13 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1h2s n LEU 78 CO 0.30 0.24 -0.95 0.35 -1.33 0.00 0.00 177.39 176.01 1h2s n THR 79 N -2.91 1.64 -0.31 -5.08 -2.24 0.10 -4.20 114.28 101.27 1h2s n THR 79 Ca -0.13 -0.67 0.02 0.00 -2.27 0.00 0.00 64.05 60.99 1h2s n THR 79 Cb 0.92 -1.42 0.20 0.00 -2.10 0.00 0.00 70.33 67.94 1h2s n THR 79 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1h2s h THR 80 N 0.03 1.14 0.00 4.28 1.35 -1.52 -0.10 112.91 118.10 1h2s h THR 80 Ca -0.46 -0.39 -0.03 0.00 -0.55 0.00 0.00 66.41 64.98 1h2s h THR 80 Cb 2.02 -0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1h2s h THR 80 CO 0.03 0.21 -0.15 1.55 -0.25 0.00 0.00 175.52 176.91 1h2s h PRO 81 N 1.13 0.00 -0.00 4.72 0.13 -1.77 0.15 132.00 136.36 1h2s h PRO 81 Ca 0.37 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.29 1h2s h PRO 81 Cb 0.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.17 1h2s h PRO 81 CO -0.12 0.15 -0.90 -0.07 -0.23 0.00 0.00 178.00 176.83 1h2s h LEU 82 N 0.00 0.42 -0.20 1.56 3.38 -1.22 0.24 115.31 119.49 1h2s h LEU 82 Ca -0.00 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1h2s h LEU 82 Cb 0.51 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1h2s h LEU 82 CO 0.02 1.13 0.06 0.40 0.09 0.00 0.00 178.44 180.14 1h2s h ILE 83 N 0.19 1.20 -0.85 1.22 2.04 -0.43 -0.06 117.51 120.81 1h2s h ILE 83 Ca -0.06 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.17 1h2s h ILE 83 Cb 1.53 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 1h2s h ILE 83 CO 0.15 0.20 0.56 0.58 0.00 0.00 0.00 178.15 179.64 1h2s h VAL 84 N 0.15 1.22 -0.37 1.67 2.07 -0.93 -0.87 116.25 119.19 1h2s h VAL 84 Ca 0.06 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1h2s h VAL 84 Cb 0.25 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1h2s h VAL 84 CO -0.00 0.21 0.20 0.22 0.02 0.00 0.00 177.57 178.22 1h2s h TYR 85 N 1.16 0.52 -0.23 1.57 3.20 -0.58 0.23 116.97 122.84 1h2s h TYR 85 Ca 0.31 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.19 1h2s h TYR 85 Cb -0.13 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 1h2s h TYR 85 CO 0.00 0.41 0.09 0.35 -1.64 0.00 0.00 178.16 177.37 1h2s h PHE 86 N 0.47 0.16 -0.81 -3.82 3.04 -0.36 0.11 116.94 115.74 1h2s h PHE 86 Ca 0.13 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1h2s h PHE 86 Cb 0.07 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.50 1h2s h PHE 86 CO -0.02 0.09 0.47 -0.07 -2.02 0.00 0.00 178.31 176.75 1h2s h LEU 87 N 0.20 0.99 -1.22 0.59 3.38 -0.80 -2.09 115.31 116.35 1h2s h LEU 87 Ca 0.10 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1h2s h LEU 87 Cb 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1h2s h LEU 87 CO -0.09 0.78 0.10 1.23 0.09 0.00 0.00 178.44 180.55 1h2s h GLY 88 N 1.11 0.68 0.95 0.83 0.00 0.19 -0.92 103.07 105.91 1h2s h GLY 88 Ca 0.29 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1h2s h GLY 88 CO -0.05 0.35 0.08 1.41 0.00 0.00 0.00 176.54 178.33 1h2s h LEU 89 N 0.62 0.68 -0.76 3.11 3.38 -0.31 -0.30 115.31 121.72 1h2s h LEU 89 Ca 0.14 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1h2s h LEU 89 Cb 0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1h2s h LEU 89 CO -0.00 0.75 0.28 -0.07 0.09 0.00 0.00 178.44 179.49 1h2s h LEU 90 N 0.57 1.08 -1.38 1.67 3.38 -0.92 -2.44 115.31 117.28 1h2s h LEU 90 Ca 0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1h2s h LEU 90 Cb 0.36 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1h2s h LEU 90 CO 0.01 0.98 -0.14 0.00 0.09 0.00 0.00 178.44 179.38 1h2s h ALA 91 N 1.14 1.05 -0.95 1.53 0.00 -0.97 -3.45 119.26 117.62 1h2s h ALA 91 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1h2s h ALA 91 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1h2s h ALA 91 CO -0.02 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1h2s n GLY 92 N -0.03 0.95 3.80 0.00 0.00 -0.21 -2.96 105.19 106.74 1h2s n GLY 92 Ca -0.00 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1h2s n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h2s s LEU 93 N -0.95 3.41 0.52 0.99 1.43 -0.69 -5.02 118.68 118.38 1h2s s LEU 93 Ca 0.00 1.81 0.05 0.00 -1.03 0.00 0.00 54.13 54.96 1h2s s LEU 93 Cb 0.00 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.74 1h2s s LEU 93 CO 0.00 -1.30 0.72 1.51 0.23 0.00 0.00 176.35 177.51 1h2s s ASP 94 N -2.93 5.29 0.24 2.29 1.47 -1.26 -4.89 116.67 116.88 1h2s s ASP 94 Ca 0.63 -0.37 -0.06 0.00 1.18 0.00 0.00 52.55 53.92 1h2s s ASP 94 Cb -0.16 -0.47 0.43 0.00 -0.34 0.00 0.00 42.92 42.38 1h2s s ASP 94 CO 0.41 -1.11 1.67 0.28 0.68 0.00 0.00 175.17 177.09 1h2s h SER 95 N 0.25 -0.13 0.43 2.11 0.02 -1.99 -0.59 113.55 113.65 1h2s h SER 95 Ca -0.38 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1h2s h SER 95 Cb 1.29 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.07 1h2s h SER 95 CO 0.46 -0.09 -0.27 -0.09 -1.14 0.00 0.00 176.83 175.69 1h2s h ARG 96 N 0.20 -0.65 -0.85 3.45 9.65 -1.99 -0.24 114.38 123.95 1h2s h ARG 96 Ca 0.40 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.35 1h2s h ARG 96 Cb 0.69 0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 29.37 1h2s h ARG 96 CO -0.55 -0.43 0.55 0.93 2.80 0.00 0.00 179.97 183.26 1h2s h GLU 97 N -0.67 1.04 -0.54 0.20 5.08 -1.81 -1.42 114.58 116.46 1h2s h GLU 97 Ca -0.05 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1h2s h GLU 97 Cb 0.56 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1h2s h GLU 97 CO 0.04 0.69 0.34 0.74 -1.00 0.00 0.00 179.01 179.82 1h2s h PHE 98 N 1.08 0.64 -0.57 4.33 0.04 -0.91 -2.41 116.94 119.14 1h2s h PHE 98 Ca 0.33 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.13 1h2s h PHE 98 Cb -0.02 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 1h2s h PHE 98 CO -0.02 0.38 0.38 0.78 -0.60 0.00 0.00 178.31 179.23 1h2s h GLY 99 N 0.69 0.79 0.69 -1.45 0.00 -0.01 -1.13 103.07 102.64 1h2s h GLY 99 Ca 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1h2s h GLY 99 CO -0.07 0.27 -0.05 -2.22 0.00 0.00 0.00 176.54 174.47 1h2s h ILE 100 N 0.74 1.06 -0.20 2.60 2.04 -0.88 -1.82 117.51 121.05 1h2s h ILE 100 Ca 0.22 -0.66 -0.11 0.00 1.00 0.00 0.00 64.86 65.31 1h2s h ILE 100 Cb -0.03 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1h2s h ILE 100 CO -0.05 0.16 -0.34 -0.37 0.00 0.00 0.00 178.15 177.55 1h2s h VAL 101 N -0.45 1.29 -0.19 1.67 -1.51 -1.23 -1.86 116.25 113.96 1h2s h VAL 101 Ca -0.01 -1.41 -0.13 0.00 -1.23 0.00 0.00 66.70 63.92 1h2s h VAL 101 Cb 0.37 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.02 1h2s h VAL 101 CO 0.02 0.44 -0.42 0.40 -1.23 0.00 0.00 177.57 176.78 1h2s h ILE 102 N 0.36 1.31 0.00 7.19 1.08 -1.25 -1.25 117.51 124.94 1h2s h ILE 102 Ca 0.04 -1.59 -0.00 0.00 -0.39 0.00 0.00 64.86 62.92 1h2s h ILE 102 Cb 0.77 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1h2s h ILE 102 CO 0.06 0.49 -0.00 0.74 -0.69 0.00 0.00 178.15 178.75 1h2s h THR 103 N 0.37 1.21 -0.45 -0.27 2.02 -1.01 -1.58 112.91 113.20 1h2s h THR 103 Ca 0.03 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.62 1h2s h THR 103 Cb 0.90 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.90 1h2s h THR 103 CO 0.08 0.16 0.24 -0.07 0.37 0.00 0.00 175.52 176.29 1h2s h LEU 104 N -0.27 0.36 -0.86 2.58 3.38 -1.25 -1.87 115.31 117.38 1h2s h LEU 104 Ca -0.00 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1h2s h LEU 104 Cb 0.27 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1h2s h LEU 104 CO 0.00 0.25 0.55 -1.13 0.09 0.00 0.00 178.44 178.20 1h2s h ASN 105 N 0.48 0.91 -0.34 -0.43 -1.24 -1.16 -2.17 115.58 111.62 1h2s h ASN 105 Ca 0.19 -0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.11 1h2s h ASN 105 Cb 0.08 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 1h2s h ASN 105 CO -0.12 0.62 -0.10 0.74 -1.29 0.00 0.00 177.43 177.28 1h2s h THR 106 N 1.06 1.26 -0.45 -3.57 2.02 -0.80 -1.89 112.91 110.53 1h2s h THR 106 Ca 0.34 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1h2s h THR 106 Cb 0.02 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1h2s h THR 106 CO -0.12 0.40 0.28 0.58 0.37 0.00 0.00 175.52 177.02 1h2s h VAL 107 N 0.70 1.14 0.11 3.16 2.07 -0.80 0.50 116.25 123.13 1h2s h VAL 107 Ca 0.12 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1h2s h VAL 107 Cb 0.58 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1h2s h VAL 107 CO 0.04 0.14 -0.24 0.58 0.02 0.00 0.00 177.57 178.10 1h2s h VAL 108 N 0.60 0.46 -0.61 2.57 2.07 -0.96 -0.67 116.25 119.70 1h2s h VAL 108 Ca 0.16 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 1h2s h VAL 108 Cb -0.02 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1h2s h VAL 108 CO -0.03 0.00 0.22 0.24 0.02 0.00 0.00 177.57 178.02 1h2s h MET 109 N -0.45 0.93 -0.57 1.57 2.86 -1.10 -2.05 114.93 116.13 1h2s h MET 109 Ca 0.03 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 1h2s h MET 109 Cb 0.47 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1h2s h MET 109 CO -0.14 0.81 0.02 -0.07 1.06 0.00 0.00 176.91 178.58 1h2s h LEU 110 N 0.86 0.94 -0.38 1.22 3.38 -0.83 -2.08 115.31 118.43 1h2s h LEU 110 Ca 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1h2s h LEU 110 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1h2s h LEU 110 CO -0.01 0.99 0.24 0.00 0.09 0.00 0.00 178.44 179.74 1h2s h ALA 111 N 1.11 0.48 -0.68 1.53 0.00 -0.83 -0.40 119.26 120.47 1h2s h ALA 111 Ca 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1h2s h ALA 111 Cb 0.50 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1h2s h ALA 111 CO 0.02 -0.04 0.22 0.78 0.00 0.00 0.00 179.25 180.23 1h2s h GLY 112 N 0.50 1.13 0.89 0.00 0.00 -1.21 0.21 103.07 104.60 1h2s h GLY 112 Ca 0.14 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1h2s h GLY 112 CO -0.03 0.62 -0.29 -2.75 0.00 0.00 0.00 176.54 174.09 1h2s h PHE 113 N 0.99 -0.76 -0.44 5.60 3.57 -1.21 -0.96 116.94 123.73 1h2s h PHE 113 Ca 0.22 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1h2s h PHE 113 Cb 0.29 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 1h2s h PHE 113 CO 0.02 -0.44 0.16 0.00 -2.23 0.00 0.00 178.31 175.83 1h2s h ALA 114 N -0.62 0.53 -0.69 2.41 0.00 -1.02 -1.80 119.26 118.06 1h2s h ALA 114 Ca -0.08 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1h2s h ALA 114 Cb 0.67 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1h2s h ALA 114 CO 0.14 -0.23 0.46 0.78 0.00 0.00 0.00 179.25 180.40 1h2s h GLY 115 N 0.33 0.96 1.98 0.00 0.00 -0.89 -1.49 103.07 103.97 1h2s h GLY 115 Ca 0.21 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1h2s h GLY 115 CO -0.21 0.31 -0.42 0.00 0.00 0.00 0.00 176.54 176.22 1h2s h ALA 116 N 1.59 1.29 -0.02 3.60 0.00 -0.36 -2.67 119.26 122.68 1h2s h ALA 116 Ca 0.27 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1h2s h ALA 116 Cb -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1h2s h ALA 116 CO -0.07 0.53 -0.02 -1.33 0.00 0.00 0.00 179.25 178.37 1h2s n MET 117 N -4.04 1.76 -3.89 0.00 2.81 -0.72 -4.88 117.12 108.17 1h2s n MET 117 Ca -0.02 -1.14 -0.36 0.00 -1.81 0.00 0.00 57.70 54.37 1h2s n MET 117 Cb 0.45 -1.48 -0.13 0.00 -0.71 0.00 0.00 33.22 31.36 1h2s n MET 117 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1h2s s VAL 118 N -2.03 3.94 0.43 2.03 1.01 -0.64 -5.07 120.40 120.07 1h2s s VAL 118 Ca 0.35 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1h2s s VAL 118 Cb 0.21 -2.81 -0.11 0.00 0.00 0.00 0.00 36.38 33.66 1h2s s VAL 118 CO 0.34 0.39 0.95 -2.84 0.00 0.00 0.00 175.10 173.94 1h2s s PRO 119 N 1.40 4.21 0.00 2.72 0.02 -1.26 -4.40 135.00 137.69 1h2s s PRO 119 Ca 0.05 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.20 1h2s s PRO 119 Cb -0.15 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1h2s s PRO 119 CO 0.01 -0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 1h2s n GLY 120 N -0.61 0.33 0.08 0.52 0.00 -1.26 -4.51 105.19 99.75 1h2s n GLY 120 Ca 0.07 -1.80 0.05 0.00 0.00 0.00 0.00 46.02 44.34 1h2s n GLY 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1h2s n ILE 121 N 0.52 1.39 0.25 -0.61 -5.35 -1.26 -1.85 119.36 112.45 1h2s n ILE 121 Ca 0.00 0.62 0.09 0.00 -0.27 0.00 0.00 62.75 63.19 1h2s n ILE 121 Cb 0.00 -1.62 0.62 0.00 -1.74 0.00 0.00 39.64 36.90 1h2s n ILE 121 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1h2s h GLU 122 N 0.00 0.00 0.00 6.28 4.81 -1.91 -1.54 114.58 122.22 1h2s h GLU 122 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1h2s h GLU 122 Cb 0.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1h2s h GLU 122 CO 0.00 0.13 -0.12 0.07 -0.73 0.00 0.00 179.01 178.36 1h2s h ARG 123 N 0.00 0.00 0.00 1.92 0.11 -1.57 -1.50 114.38 113.34 1h2s h ARG 123 Ca -0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 1h2s h ARG 123 Cb 0.25 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 1h2s h ARG 123 CO 0.02 0.12 -0.50 1.88 0.10 0.00 0.00 179.97 181.58 1h2s h TYR 124 N 0.00 0.00 -0.33 4.08 0.05 -1.49 -0.62 116.97 118.66 1h2s h TYR 124 Ca -0.00 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.61 1h2s h TYR 124 Cb 0.30 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.04 1h2s h TYR 124 CO 0.00 0.50 -0.44 0.00 -1.05 0.00 0.00 178.16 177.17 1h2s h ALA 125 N 1.50 0.49 -0.55 3.88 0.00 -1.35 -0.96 119.26 122.27 1h2s h ALA 125 Ca -0.01 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1h2s h ALA 125 Cb 1.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1h2s h ALA 125 CO 0.07 0.63 -0.02 -0.07 0.00 0.00 0.00 179.25 179.86 1h2s h LEU 126 N 0.67 0.94 -0.55 0.00 3.38 -1.22 -1.88 115.31 116.65 1h2s h LEU 126 Ca 0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1h2s h LEU 126 Cb 1.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1h2s h LEU 126 CO 0.10 1.01 0.34 0.15 0.09 0.00 0.00 178.44 180.14 1h2s h PHE 127 N 0.88 0.72 -0.77 1.13 3.57 -0.94 -1.97 116.94 119.56 1h2s h PHE 127 Ca 0.16 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.74 1h2s h PHE 127 Cb 0.55 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1h2s h PHE 127 CO 0.03 0.48 0.44 0.78 -2.23 0.00 0.00 178.31 177.82 1h2s h GLY 128 N 0.75 1.16 0.82 2.40 0.00 -0.70 0.23 103.07 107.73 1h2s h GLY 128 Ca 0.20 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1h2s h GLY 128 CO -0.04 0.16 0.15 1.98 0.00 0.00 0.00 176.54 178.79 1h2s h MET 129 N 0.77 0.31 -0.49 4.80 1.85 -0.87 -1.00 114.93 120.32 1h2s h MET 129 Ca 0.36 -0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.37 1h2s h MET 129 Cb 0.27 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.21 1h2s h MET 129 CO -0.21 0.21 0.10 0.78 -0.40 0.00 0.00 176.91 177.38 1h2s h GLY 130 N 0.32 0.85 0.88 1.39 0.00 -0.60 -2.14 103.07 103.77 1h2s h GLY 130 Ca 0.14 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 46.94 1h2s h GLY 130 CO -0.11 0.52 0.45 0.00 0.00 0.00 0.00 176.54 177.40 1h2s h ALA 131 N 0.97 0.93 -0.41 3.60 0.00 -0.20 0.41 119.26 124.56 1h2s h ALA 131 Ca 0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1h2s h ALA 131 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h2s h ALA 131 CO 0.01 0.23 -0.08 0.28 0.00 0.00 0.00 179.25 179.69 1h2s h VAL 132 N 0.88 1.27 -0.72 0.00 2.07 -1.14 -1.95 116.25 116.67 1h2s h VAL 132 Ca 0.29 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1h2s h VAL 132 Cb 0.01 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1h2s h VAL 132 CO -0.11 0.39 0.39 0.00 0.02 0.00 0.00 177.57 178.27 1h2s h ALA 133 N 0.86 1.34 -0.55 1.67 0.00 -1.00 -1.94 119.26 119.65 1h2s h ALA 133 Ca 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1h2s h ALA 133 Cb 0.60 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1h2s h ALA 133 CO 0.04 0.54 0.25 0.35 0.00 0.00 0.00 179.25 180.43 1h2s h PHE 134 N 1.00 0.81 -0.60 0.00 3.57 -0.64 0.31 116.94 121.39 1h2s h PHE 134 Ca 0.25 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1h2s h PHE 134 Cb 0.03 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1h2s h PHE 134 CO 0.01 0.64 0.27 -0.07 -2.23 0.00 0.00 178.31 176.93 1h2s h LEU 135 N 0.74 0.77 -0.57 0.59 3.38 -0.94 0.14 115.31 119.42 1h2s h LEU 135 Ca 0.19 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1h2s h LEU 135 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1h2s h LEU 135 CO -0.02 0.67 0.02 1.23 0.09 0.00 0.00 178.44 180.44 1h2s h GLY 136 N 0.95 1.06 0.93 0.83 0.00 -0.71 -1.56 103.07 104.57 1h2s h GLY 136 Ca 0.21 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1h2s h GLY 136 CO -0.02 0.71 0.10 -2.00 0.00 0.00 0.00 176.54 175.32 1h2s h LEU 137 N 0.87 0.26 -0.58 3.11 5.85 -0.14 -2.08 115.31 122.60 1h2s h LEU 137 Ca 0.16 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1h2s h LEU 137 Cb 0.51 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1h2s h LEU 137 CO 0.02 0.30 0.21 0.58 -0.34 0.00 0.00 178.44 179.21 1h2s h VAL 138 N 0.20 0.78 -0.36 1.05 2.07 -0.64 -1.04 116.25 118.31 1h2s h VAL 138 Ca 0.07 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1h2s h VAL 138 Cb 0.10 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1h2s h VAL 138 CO -0.01 0.07 -0.02 0.22 0.02 0.00 0.00 177.57 177.85 1h2s h TYR 139 N 0.39 -0.06 -0.69 1.57 3.20 -0.98 -0.64 116.97 119.77 1h2s h TYR 139 Ca 0.29 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 1h2s h TYR 139 Cb 0.35 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1h2s h TYR 139 CO -0.17 -0.09 0.38 1.88 -1.64 0.00 0.00 178.16 178.52 1h2s h TYR 140 N 0.08 0.94 -0.67 -3.82 0.05 -0.67 0.31 116.97 113.19 1h2s h TYR 140 Ca 0.18 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.86 1h2s h TYR 140 Cb 0.25 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1h2s h TYR 140 CO -0.27 0.67 0.13 -0.07 -1.05 0.00 0.00 178.16 177.56 1h2s h LEU 141 N 0.94 1.05 0.00 3.88 3.38 -0.75 -0.37 115.31 123.44 1h2s h LEU 141 Ca 0.24 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1h2s h LEU 141 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1h2s h LEU 141 CO -0.04 1.03 -0.98 0.58 0.09 0.00 0.00 178.44 179.13 1h2s h VAL 142 N 1.03 0.19 0.00 1.22 2.07 -1.00 -3.25 116.25 116.51 1h2s h VAL 142 Ca 0.21 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1h2s h VAL 142 Cb 0.42 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1h2s h VAL 142 CO 0.01 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.32 1h2s n GLY 143 N 1.23 0.07 0.31 2.17 0.00 0.11 -4.49 105.19 104.59 1h2s n GLY 143 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1h2s n GLY 143 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1h2s h PRO 144 N 0.00 0.05 -0.00 1.61 0.11 -1.71 0.25 132.00 132.30 1h2s h PRO 144 Ca 0.00 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1h2s h PRO 144 Cb 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1h2s h PRO 144 CO 0.00 0.03 -0.47 0.52 -0.21 0.00 0.00 178.00 177.87 1h2s h MET 145 N 0.05 0.01 -0.11 1.05 2.86 -1.29 -1.34 114.93 116.16 1h2s h MET 145 Ca 0.49 -0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.94 1h2s h MET 145 Cb 0.90 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 1h2s h MET 145 CO -0.82 0.48 -0.69 1.15 1.06 0.00 0.00 176.91 178.09 1h2s h THR 146 N 0.00 1.36 -0.20 2.22 2.02 -1.02 -1.30 112.91 115.99 1h2s h THR 146 Ca -0.00 -2.04 -0.13 0.00 0.77 0.00 0.00 66.41 65.00 1h2s h THR 146 Cb 0.84 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1h2s h THR 146 CO 0.06 0.62 -0.42 -0.33 0.37 0.00 0.00 175.52 175.82 1h2s h GLU 147 N 0.32 0.48 -0.40 6.66 5.08 -1.06 -1.61 114.58 124.05 1h2s h GLU 147 Ca -0.02 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 1h2s h GLU 147 Cb 1.26 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1h2s h GLU 147 CO 0.12 0.82 -0.08 1.03 -1.00 0.00 0.00 179.01 179.90 1h2s h SER 148 N 0.40 0.77 0.10 1.42 0.87 -1.07 -2.91 113.55 113.12 1h2s h SER 148 Ca 0.03 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.18 1h2s h SER 148 Cb 0.90 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1h2s h SER 148 CO 0.08 0.94 -0.18 0.00 -0.53 0.00 0.00 176.83 177.15 1h2s h ALA 149 N 0.85 1.52 0.00 6.23 0.00 -1.04 -2.02 119.26 124.81 1h2s h ALA 149 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1h2s h ALA 149 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1h2s h ALA 149 CO 0.04 0.35 0.00 0.43 0.00 0.00 0.00 179.25 180.06 1h2s n SER 150 N -4.26 0.29 -0.46 0.00 7.64 -0.62 -1.10 113.62 115.11 1h2s n SER 150 Ca -0.01 0.61 0.14 0.00 1.01 0.00 0.00 58.87 60.61 1h2s n SER 150 Cb 0.28 -0.65 0.47 0.00 -1.01 0.00 0.00 64.21 63.30 1h2s n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h2s n GLN 151 N -1.86 1.53 -1.69 1.43 1.13 -0.76 -4.89 117.38 112.28 1h2s n GLN 151 Ca 0.01 -0.92 -0.09 0.00 -1.94 0.00 0.00 57.00 54.05 1h2s n GLN 151 Cb 0.08 -1.48 0.04 0.00 0.11 0.00 0.00 30.24 28.99 1h2s n GLN 151 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1h2s n ARG 152 N 0.07 0.57 -1.00 -1.09 5.12 -0.26 -5.08 116.66 115.00 1h2s n ARG 152 Ca 0.17 -1.30 -0.30 0.00 -1.93 0.00 0.00 57.85 54.49 1h2s n ARG 152 Cb 0.37 -0.20 0.15 0.00 -1.16 0.00 0.00 32.46 31.62 1h2s n ARG 152 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1h2s s SER 153 N -2.70 3.31 0.37 0.55 1.04 -1.26 -4.75 113.70 110.25 1h2s s SER 153 Ca 0.28 1.78 0.04 0.00 0.48 0.00 0.00 55.95 58.54 1h2s s SER 153 Cb -0.02 -2.40 0.71 0.00 0.10 0.00 0.00 66.02 64.41 1h2s s SER 153 CO 0.18 -2.79 2.00 0.28 0.98 0.00 0.00 173.24 173.90 1h2s h SER 154 N -1.65 0.59 -0.47 7.02 0.02 -1.95 -0.37 113.55 116.75 1h2s h SER 154 Ca -0.47 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.31 1h2s h SER 154 Cb 1.27 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1h2s h SER 154 CO 0.49 0.47 -0.23 1.23 -1.14 0.00 0.00 176.83 177.66 1h2s h GLY 155 N 0.74 1.07 0.83 -3.77 0.00 -1.96 -0.04 103.07 99.94 1h2s h GLY 155 Ca 0.18 -0.96 -0.08 0.00 0.00 0.00 0.00 47.33 46.47 1h2s h GLY 155 CO -0.03 0.87 -0.17 -2.22 0.00 0.00 0.00 176.54 174.99 1h2s h ILE 156 N 0.85 1.32 -0.69 2.60 2.04 -1.76 -1.12 117.51 120.74 1h2s h ILE 156 Ca 0.11 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 1h2s h ILE 156 Cb 0.80 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 1h2s h ILE 156 CO 0.07 0.40 0.38 0.50 0.00 0.00 0.00 178.15 179.50 1h2s h LYS 157 N 0.17 0.97 -0.47 2.37 1.63 -1.07 0.15 116.57 120.31 1h2s h LYS 157 Ca 0.04 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 1h2s h LYS 157 Cb 0.70 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 1h2s h LYS 157 CO 0.04 0.72 0.20 1.03 -3.45 0.00 0.00 179.45 178.00 1h2s h SER 158 N 0.95 0.64 -0.47 4.20 0.87 -0.89 -1.16 113.55 117.69 1h2s h SER 158 Ca 0.24 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1h2s h SER 158 Cb 0.04 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1h2s h SER 158 CO -0.04 0.62 0.08 0.25 -0.53 0.00 0.00 176.83 177.21 1h2s h LEU 159 N 0.62 0.75 -0.33 2.23 5.85 -0.81 -2.02 115.31 121.59 1h2s h LEU 159 Ca 0.16 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1h2s h LEU 159 Cb 0.17 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1h2s h LEU 159 CO -0.02 0.82 0.13 0.22 -0.34 0.00 0.00 178.44 179.25 1h2s h TYR 160 N 0.65 0.24 -0.65 1.25 3.20 -0.46 -1.18 116.97 120.02 1h2s h TYR 160 Ca 0.14 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1h2s h TYR 160 Cb 0.39 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1h2s h TYR 160 CO 0.03 0.11 0.34 0.28 -1.64 0.00 0.00 178.16 177.28 1h2s h VAL 161 N 0.28 1.21 -0.36 1.81 2.07 -1.08 0.32 116.25 120.50 1h2s h VAL 161 Ca 0.15 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1h2s h VAL 161 Cb 0.10 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1h2s h VAL 161 CO -0.14 0.23 0.15 -0.09 0.02 0.00 0.00 177.57 177.75 1h2s h ARG 162 N 0.88 0.53 -0.07 1.57 2.43 -1.00 -0.54 114.38 118.18 1h2s h ARG 162 Ca 0.23 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 59.15 1h2s h ARG 162 Cb 0.06 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1h2s h ARG 162 CO -0.03 0.50 -0.62 -0.07 -1.51 0.00 0.00 179.97 178.24 1h2s h LEU 163 N 0.44 0.31 -0.43 3.80 3.38 -1.00 -2.35 115.31 119.45 1h2s h LEU 163 Ca 0.12 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1h2s h LEU 163 Cb 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1h2s h LEU 163 CO -0.01 0.85 -0.08 -0.09 0.09 0.00 0.00 178.44 179.20 1h2s h ARG 164 N 0.20 0.82 -0.51 1.13 1.12 -0.21 -1.37 114.38 115.55 1h2s h ARG 164 Ca -0.01 -0.30 -0.06 0.00 -1.11 0.00 0.00 59.98 58.50 1h2s h ARG 164 Cb 1.14 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 31.02 1h2s h ARG 164 CO 0.10 0.92 0.07 -0.91 -3.11 0.00 0.00 179.97 177.04 1h2s h ASN 165 N 0.65 0.83 -0.44 -3.80 2.35 -1.00 0.63 115.58 114.80 1h2s h ASN 165 Ca 0.11 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1h2s h ASN 165 Cb 0.60 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1h2s h ASN 165 CO 0.04 0.89 0.29 0.25 -1.65 0.00 0.00 177.43 177.24 1h2s h LEU 166 N 0.74 0.51 0.35 1.61 5.85 -1.36 -2.01 115.31 121.00 1h2s h LEU 166 Ca 0.15 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1h2s h LEU 166 Cb 0.42 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1h2s h LEU 166 CO 0.01 0.38 -0.17 0.74 -0.34 0.00 0.00 178.44 179.06 1h2s h THR 167 N 0.59 0.66 -0.17 1.05 2.02 -1.00 -1.77 112.91 114.28 1h2s h THR 167 Ca 0.16 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1h2s h THR 167 Cb -0.06 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1h2s h THR 167 CO -0.03 0.07 0.04 0.58 0.37 0.00 0.00 175.52 176.55 1h2s h VAL 168 N -0.68 0.93 -0.07 3.16 2.07 -0.87 0.25 116.25 121.04 1h2s h VAL 168 Ca -0.05 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1h2s h VAL 168 Cb 0.48 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1h2s h VAL 168 CO 0.08 0.02 0.03 0.40 0.02 0.00 0.00 177.57 178.12 1h2s h ILE 169 N 0.11 1.14 0.02 4.57 2.04 -1.41 -2.36 117.51 121.62 1h2s h ILE 169 Ca 0.08 -0.41 -0.22 0.00 1.00 0.00 0.00 64.86 65.31 1h2s h ILE 169 Cb 0.07 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1h2s h ILE 169 CO -0.10 0.12 -0.95 -0.07 0.00 0.00 0.00 178.15 177.15 1h2s h LEU 170 N -0.05 0.37 -1.37 1.44 3.38 -1.25 -3.12 115.31 114.71 1h2s h LEU 170 Ca 0.02 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1h2s h LEU 170 Cb 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1h2s h LEU 170 CO -0.00 1.13 0.00 -0.50 0.09 0.00 0.00 178.44 179.16 1h2s h TRP 171 N 0.15 0.43 0.00 1.13 4.06 -0.52 -2.08 115.95 119.11 1h2s h TRP 171 Ca -0.07 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.85 1h2s h TRP 171 Cb 1.60 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 29.63 1h2s h TRP 171 CO 0.04 0.43 0.00 0.00 -3.56 0.00 0.00 178.44 175.36 1h2s h ALA 172 N 1.60 1.00 0.03 1.49 0.00 -1.35 -2.32 119.26 119.70 1h2s h ALA 172 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1h2s h ALA 172 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1h2s h ALA 172 CO 0.01 0.00 -1.11 0.82 0.00 0.00 0.00 179.25 178.97 1h2s h ILE 173 N 0.00 1.60 -0.69 0.00 2.04 -1.47 -3.36 117.51 115.63 1h2s h ILE 173 Ca 0.00 -3.29 0.12 0.00 1.00 0.00 0.00 64.86 62.68 1h2s h ILE 173 Cb 0.09 2.83 -0.08 0.00 -0.74 0.00 0.00 36.82 38.92 1h2s h ILE 173 CO 0.00 0.93 0.27 1.88 0.00 0.00 0.00 178.15 181.23 1h2s h TYR 174 N 0.02 0.47 -0.11 1.37 -1.99 -1.49 -1.54 116.97 113.69 1h2s h TYR 174 Ca -0.06 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1h2s h TYR 174 Cb 1.83 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 40.45 1h2s h TYR 174 CO 0.01 0.09 0.03 -1.00 -0.00 0.00 0.00 178.16 177.30 1h2s h PRO 175 N 0.44 0.15 -0.25 4.88 0.13 -1.74 0.05 132.00 135.67 1h2s h PRO 175 Ca 0.36 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 65.33 1h2s h PRO 175 Cb 0.50 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 1h2s h PRO 175 CO -0.35 0.14 -0.46 0.74 -0.23 0.00 0.00 178.00 177.84 1h2s h PHE 176 N 0.16 0.80 -0.13 1.56 0.04 -1.49 -0.30 116.94 117.57 1h2s h PHE 176 Ca 0.04 -0.25 -0.14 0.00 2.80 0.00 0.00 57.97 60.42 1h2s h PHE 176 Cb 0.06 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1h2s h PHE 176 CO 0.00 0.99 -0.52 0.82 -0.60 0.00 0.00 178.31 179.01 1h2s h ILE 177 N 0.52 1.34 -0.13 -0.55 2.04 -0.88 -0.73 117.51 119.13 1h2s h ILE 177 Ca 0.03 -1.77 -0.02 0.00 1.00 0.00 0.00 64.86 64.10 1h2s h ILE 177 Cb 1.00 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1h2s h ILE 177 CO 0.09 0.53 0.01 -0.25 0.00 0.00 0.00 178.15 178.54 1h2s h TRP 178 N 0.27 0.23 -0.65 1.37 7.01 -0.77 0.51 115.95 123.92 1h2s h TRP 178 Ca 0.01 -0.04 -0.07 0.00 2.11 0.00 0.00 58.89 60.90 1h2s h TRP 178 Cb 1.00 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.97 1h2s h TRP 178 CO 0.03 0.43 0.13 -0.07 -2.79 0.00 0.00 178.44 176.16 1h2s h LEU 179 N -0.03 1.01 0.00 0.65 3.38 -0.94 -1.93 115.31 117.44 1h2s h LEU 179 Ca 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1h2s h LEU 179 Cb 0.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1h2s h LEU 179 CO 0.00 1.00 -0.68 -0.07 0.09 0.00 0.00 178.44 178.78 1h2s h LEU 180 N 0.98 0.00 0.00 1.67 3.38 -1.12 -0.14 115.31 120.08 1h2s h LEU 180 Ca 0.20 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1h2s h LEU 180 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1h2s h LEU 180 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1h2s n GLY 181 N 1.16 -0.61 0.35 0.83 0.00 0.18 0.05 105.19 107.15 1h2s n GLY 181 Ca 0.01 -1.75 0.18 0.00 0.00 0.00 0.00 46.02 44.47 1h2s n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1h2s h PRO 182 N 0.00 0.54 -0.54 1.61 0.11 -1.81 0.88 132.00 132.79 1h2s h PRO 182 Ca -0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1h2s h PRO 182 Cb 0.02 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 30.98 1h2s h PRO 182 CO 0.00 0.36 0.24 -1.35 -0.21 0.00 0.00 178.00 177.04 1h2s h PRO 183 N 0.56 0.76 0.00 1.05 0.11 -1.89 -3.40 132.00 129.19 1h2s h PRO 183 Ca 0.64 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1h2s h PRO 183 Cb 1.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1h2s h PRO 183 CO -0.45 0.61 0.00 0.41 -0.21 0.00 0.00 178.00 178.36 1h2s n GLY 184 N -1.15 0.40 0.04 -0.55 0.00 -0.58 -4.87 105.19 98.48 1h2s n GLY 184 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1h2s n GLY 184 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1h2s n VAL 185 N 0.00 0.00 -3.70 1.61 0.24 -0.06 -4.94 118.33 111.48 1h2s n VAL 185 Ca 0.00 -0.02 -0.24 0.00 -2.04 0.00 0.00 64.34 62.04 1h2s n VAL 185 Cb 0.00 -0.36 0.05 0.00 -1.47 0.00 0.00 33.84 32.06 1h2s n VAL 185 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h2s n ALA 186 N -1.17 -1.57 0.08 2.33 0.00 0.20 -4.89 120.51 115.48 1h2s n ALA 186 Ca 0.15 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.70 1h2s n ALA 186 Cb 0.25 -3.90 -0.06 0.00 0.00 0.00 0.00 19.45 15.73 1h2s n ALA 186 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1h2s h LEU 187 N -2.20 0.00 -9.51 0.00 3.38 -0.58 -3.44 115.31 102.96 1h2s h LEU 187 Ca -0.59 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.78 1h2s h LEU 187 Cb 1.36 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 1h2s h LEU 187 CO 0.59 0.75 -0.26 -0.76 0.09 0.00 0.00 178.44 178.85 1h2s s LEU 188 N -6.41 4.37 0.74 1.67 1.43 -0.57 -5.02 118.68 114.89 1h2s s LEU 188 Ca 0.01 0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 53.75 1h2s s LEU 188 Cb 0.09 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 43.86 1h2s s LEU 188 CO 0.79 0.22 1.08 0.42 0.23 0.00 0.00 176.35 179.09 1h2s s THR 189 N -0.36 3.57 0.23 5.49 -4.23 -1.26 -3.95 115.64 115.12 1h2s s THR 189 Ca 0.21 0.51 -0.06 0.00 -1.18 0.00 0.00 61.69 61.16 1h2s s THR 189 Cb -0.15 -3.27 0.18 0.00 1.34 0.00 0.00 72.50 70.60 1h2s s THR 189 CO 0.09 -0.66 1.76 -0.65 -0.54 0.00 0.00 174.62 174.61 1h2s h PRO 190 N -0.88 0.51 -0.09 3.99 0.11 -1.98 0.57 132.00 134.22 1h2s h PRO 190 Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1h2s h PRO 190 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1h2s h PRO 190 CO 0.58 0.34 -0.00 1.15 -0.21 0.00 0.00 178.00 179.86 1h2s h THR 191 N 0.52 0.93 -0.51 -1.15 2.02 -1.99 0.21 112.91 112.95 1h2s h THR 191 Ca 0.36 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.48 1h2s h THR 191 Cb 0.45 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1h2s h THR 191 CO -0.31 0.00 0.13 0.58 0.37 0.00 0.00 175.52 176.29 1h2s h VAL 192 N 0.03 1.24 0.10 3.16 2.07 -1.82 -0.82 116.25 120.21 1h2s h VAL 192 Ca 0.04 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1h2s h VAL 192 Cb 0.05 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1h2s h VAL 192 CO -0.08 0.30 -0.14 -0.78 0.02 0.00 0.00 177.57 176.90 1h2s h ASP 193 N 0.70 -0.37 -0.82 0.57 1.82 -0.63 -1.39 116.42 116.29 1h2s h ASP 193 Ca 0.16 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1h2s h ASP 193 Cb 0.33 0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.43 1h2s h ASP 193 CO 0.00 -0.21 0.50 0.58 -1.61 0.00 0.00 179.24 178.51 1h2s h VAL 194 N -0.29 1.23 -0.33 2.25 2.07 -0.44 -1.82 116.25 118.92 1h2s h VAL 194 Ca 0.01 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1h2s h VAL 194 Cb 0.29 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1h2s h VAL 194 CO -0.06 0.24 0.08 0.00 0.02 0.00 0.00 177.57 177.85 1h2s h ALA 195 N 1.42 0.44 -0.73 1.67 0.00 -0.91 -0.67 119.26 120.47 1h2s h ALA 195 Ca 0.30 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1h2s h ALA 195 Cb -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1h2s h ALA 195 CO -0.06 0.11 0.25 -0.07 0.00 0.00 0.00 179.25 179.48 1h2s h LEU 196 N 0.38 1.04 -0.62 0.00 3.38 -1.00 -2.34 115.31 116.14 1h2s h LEU 196 Ca 0.10 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1h2s h LEU 196 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1h2s h LEU 196 CO 0.00 0.95 -0.52 0.40 0.09 0.00 0.00 178.44 179.37 1h2s h ILE 197 N 1.08 1.33 -0.57 1.22 1.08 -1.16 -1.12 117.51 119.37 1h2s h ILE 197 Ca 0.24 -1.76 -0.03 0.00 -0.39 0.00 0.00 64.86 62.92 1h2s h ILE 197 Cb 0.27 1.77 -0.03 0.00 -3.07 0.00 0.00 36.82 35.76 1h2s h ILE 197 CO -0.01 0.54 0.24 0.58 -0.69 0.00 0.00 178.15 178.81 1h2s h VAL 198 N 0.36 1.22 0.14 1.67 2.07 -0.96 0.26 116.25 121.00 1h2s h VAL 198 Ca 0.01 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1h2s h VAL 198 Cb 1.03 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1h2s h VAL 198 CO 0.09 0.26 -0.07 0.22 0.02 0.00 0.00 177.57 178.10 1h2s h TYR 199 N 0.78 -0.17 -0.66 1.57 3.20 -1.22 -1.79 116.97 118.67 1h2s h TYR 199 Ca 0.19 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1h2s h TYR 199 Cb 0.18 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1h2s h TYR 199 CO 0.01 0.06 0.42 -0.07 -1.64 0.00 0.00 178.16 176.94 1h2s h LEU 200 N -0.38 0.78 -0.70 2.82 3.38 -1.05 -2.22 115.31 117.94 1h2s h LEU 200 Ca -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1h2s h LEU 200 Cb 0.30 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1h2s h LEU 200 CO 0.03 0.58 0.40 0.44 0.09 0.00 0.00 178.44 179.98 1h2s h ASP 201 N 0.90 0.86 -0.64 -0.43 3.32 -0.43 0.28 116.42 120.28 1h2s h ASP 201 Ca 0.24 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1h2s h ASP 201 Cb -0.07 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1h2s h ASP 201 CO -0.05 0.70 0.17 -0.07 -1.72 0.00 0.00 179.24 178.27 1h2s h LEU 202 N 0.96 0.98 -0.05 1.55 3.38 -1.06 -1.52 115.31 119.54 1h2s h LEU 202 Ca 0.25 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1h2s h LEU 202 Cb 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1h2s h LEU 202 CO -0.04 0.93 -0.12 0.58 0.09 0.00 0.00 178.44 179.88 1h2s h VAL 203 N 0.99 1.43 0.00 1.22 2.07 -1.06 0.25 116.25 121.16 1h2s h VAL 203 Ca 0.21 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1h2s h VAL 203 Cb 0.33 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1h2s h VAL 203 CO -0.00 0.41 0.00 0.71 0.02 0.00 0.00 177.57 178.70 1h2s h THR 204 N -0.35 0.00 0.00 2.57 1.35 -0.91 0.32 112.91 115.89 1h2s h THR 204 Ca -0.00 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1h2s h THR 204 Cb 0.72 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1h2s h THR 204 CO 0.03 0.00 -0.42 0.29 -0.25 0.00 0.00 175.52 175.17 1h2s n LYS 205 N -2.67 0.21 -0.01 4.72 5.02 -0.58 -4.42 118.16 120.44 1h2s n LYS 205 Ca 0.01 0.08 -0.17 0.00 -2.02 0.00 0.00 58.31 56.21 1h2s n LYS 205 Cb 0.23 -0.87 -0.10 0.00 -0.02 0.00 0.00 35.03 34.26 1h2s n LYS 205 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1h2s h VAL 206 N -0.40 1.43 -0.22 -0.18 2.07 -0.77 -1.58 116.25 116.59 1h2s h VAL 206 Ca -0.00 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1h2s h VAL 206 Cb 0.41 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1h2s h VAL 206 CO -0.00 0.58 0.12 1.23 0.02 0.00 0.00 177.57 179.51 1h2s h GLY 207 N -0.10 0.33 -0.06 2.17 0.00 -0.29 -0.85 103.07 104.28 1h2s h GLY 207 Ca -0.06 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.22 1h2s h GLY 207 CO 0.10 0.15 -0.12 -2.75 0.00 0.00 0.00 176.54 173.92 1h2s h PHE 208 N 0.24 -0.26 -0.49 5.60 3.04 -0.99 -1.51 116.94 122.57 1h2s h PHE 208 Ca 0.08 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 1h2s h PHE 208 Cb 0.08 0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1h2s h PHE 208 CO -0.03 -0.22 0.16 0.78 -2.02 0.00 0.00 178.31 176.98 1h2s h GLY 209 N 0.01 0.80 1.47 2.40 0.00 -0.86 -2.62 103.07 104.27 1h2s h GLY 209 Ca 0.26 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1h2s h GLY 209 CO -0.54 0.44 0.20 0.74 0.00 0.00 0.00 176.54 177.37 1h2s h PHE 210 N 0.65 0.69 -0.45 5.60 0.04 -0.48 0.11 116.94 123.10 1h2s h PHE 210 Ca 0.16 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 1h2s h PHE 210 Cb 0.25 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1h2s h PHE 210 CO 0.01 0.54 0.21 0.82 -0.60 0.00 0.00 178.31 179.29 1h2s h ILE 211 N 0.69 1.19 -0.34 -0.55 2.04 -1.13 0.53 117.51 119.94 1h2s h ILE 211 Ca 0.17 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1h2s h ILE 211 Cb 0.13 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1h2s h ILE 211 CO -0.02 0.21 0.14 0.00 0.00 0.00 0.00 178.15 178.48 1h2s h ALA 212 N 1.06 0.44 -0.98 1.87 0.00 -0.97 -2.43 119.26 118.25 1h2s h ALA 212 Ca 0.16 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1h2s h ALA 212 Cb 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1h2s h ALA 212 CO -0.02 0.03 0.64 -0.07 0.00 0.00 0.00 179.25 179.83 1h2s h LEU 213 N 0.40 1.04 -1.81 0.00 4.07 -0.53 -1.24 115.31 117.24 1h2s h LEU 213 Ca 0.11 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 1h2s h LEU 213 Cb 0.17 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 1h2s h LEU 213 CO -0.01 0.69 -0.10 -0.78 -1.08 0.00 0.00 178.44 177.16 1h2s h ASP 214 N 1.19 0.00 0.72 -0.43 -0.00 -0.55 -2.80 116.42 114.55 1h2s h ASP 214 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.43 1h2s h ASP 214 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.41 1h2s h ASP 214 CO -0.14 0.10 -1.10 0.00 -0.00 0.00 0.00 179.24 178.10 1h2s n ALA 215 N -2.20 2.80 -0.20 -0.78 0.00 -0.53 -4.53 120.51 115.06 1h2s n ALA 215 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 1h2s n ALA 215 Cb 0.27 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 1h2s n ALA 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h2s h ALA 216 N 2.18 -0.12 -0.45 0.00 0.00 -1.10 -1.63 119.26 118.14 1h2s h ALA 216 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1h2s h ALA 216 Cb 0.91 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 1h2s h ALA 216 CO 0.00 -0.72 0.19 0.00 0.00 0.00 0.00 179.25 178.72 1h2s h ALA 217 N 0.89 0.56 -0.87 0.00 0.00 -1.80 -1.67 119.26 116.37 1h2s h ALA 217 Ca 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1h2s h ALA 217 Cb 0.56 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1h2s h ALA 217 CO -0.68 -0.18 0.52 1.15 0.00 0.00 0.00 179.25 180.05 1h2s h THR 218 N 0.39 1.25 -0.36 0.00 2.02 -1.68 -1.77 112.91 112.75 1h2s h THR 218 Ca 0.20 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 1h2s h THR 218 Cb 0.16 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1h2s h THR 218 CO -0.18 0.26 -0.06 -0.07 0.37 0.00 0.00 175.52 175.85 1h2s h LEU 219 N 1.21 0.56 -0.42 2.58 3.38 -0.81 -2.15 115.31 119.66 1h2s h LEU 219 Ca 0.31 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 1h2s h LEU 219 Cb -0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1h2s h LEU 219 CO -0.06 0.67 -0.26 0.03 0.09 0.00 0.00 178.44 178.91 1h2s h ARG 220 N 0.55 0.91 -0.06 1.13 3.08 -0.82 -2.94 114.38 116.23 1h2s h ARG 220 Ca 0.11 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 1h2s h ARG 220 Cb 0.44 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1h2s h ARG 220 CO 0.02 1.08 -0.06 0.00 -1.07 0.00 0.00 179.97 179.94 1h2s h ALA 221 N 0.81 1.80 -0.39 0.04 0.00 -1.01 -1.91 119.26 118.60 1h2s h ALA 221 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1h2s h ALA 221 Cb 0.84 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1h2s h ALA 221 CO 0.07 0.16 0.15 0.93 0.00 0.00 0.00 179.25 180.56 1h2s h GLU 222 N 0.08 0.55 -0.37 0.00 5.08 -1.21 -1.77 114.58 116.95 1h2s h GLU 222 Ca 0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1h2s h GLU 222 Cb 0.16 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1h2s h GLU 222 CO 0.01 0.47 0.00 0.72 -1.00 0.00 0.00 179.01 179.20 1h2s n HIS 223 N -4.38 0.46 -0.48 4.33 8.25 -0.78 -4.87 115.22 117.75 1h2s n HIS 223 Ca 0.03 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1h2s n HIS 223 Cb 0.15 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1h2s n HIS 223 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h2s n GLY 224 N 0.88 0.76 0.00 -1.41 0.00 -0.66 -5.12 105.19 99.63 1h2s n GLY 224 Ca 0.10 -0.04 0.16 0.00 0.00 0.00 0.00 46.02 46.24 1h2s n GLY 224 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50