#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1h s ASP 2 N 0.00 4.62 0.13 6.55 1.11 -1.26 -5.10 116.67 122.72 2r1h s ASP 2 Ca 0.00 -1.52 -0.30 0.00 0.18 0.00 0.00 52.55 50.91 2r1h s ASP 2 Cb 0.00 -1.61 -0.07 0.00 1.07 0.00 0.00 42.92 42.31 2r1h s ASP 2 CO 0.00 -0.25 1.20 0.26 1.18 0.00 0.00 175.17 177.56 2r1h s TRP 3 N 1.10 3.43 0.62 4.23 0.52 -1.26 -5.03 118.94 122.56 2r1h s TRP 3 Ca -0.04 1.36 -0.13 0.00 0.02 0.00 0.00 56.10 57.31 2r1h s TRP 3 Cb -0.20 -3.43 -0.03 0.00 -1.15 0.00 0.00 33.47 28.66 2r1h s TRP 3 CO -0.05 -1.26 1.04 0.95 0.02 0.00 0.00 176.95 177.65 2r1h s THR 4 N 0.47 4.28 0.25 2.01 -4.23 -1.26 -4.93 115.64 112.22 2r1h s THR 4 Ca 0.56 0.85 -0.03 0.00 -1.18 0.00 0.00 61.69 61.89 2r1h s THR 4 Cb -0.31 -3.59 0.22 0.00 1.34 0.00 0.00 72.50 70.16 2r1h s THR 4 CO 0.33 -0.85 1.77 0.44 -0.54 0.00 0.00 174.62 175.76 2r1h h ASP 5 N -0.12 0.51 -0.56 3.99 3.32 -2.00 -2.12 116.42 119.44 2r1h h ASP 5 Ca -0.45 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2r1h h ASP 5 Cb 1.20 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 2r1h h ASP 5 CO 0.59 0.24 0.36 0.00 -1.72 0.00 0.00 179.24 178.71 2r1h h ALA 6 N 1.52 0.71 -0.43 3.45 0.00 -1.99 -1.69 119.26 120.83 2r1h h ALA 6 Ca 0.43 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2r1h h ALA 6 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2r1h h ALA 6 CO -0.33 0.17 0.15 0.93 0.00 0.00 0.00 179.25 180.17 2r1h h GLU 7 N 0.76 0.65 -0.17 0.00 5.08 -1.84 -0.13 114.58 118.93 2r1h h GLU 7 Ca 0.20 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2r1h h GLU 7 Cb -0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2r1h h GLU 7 CO -0.04 0.62 0.11 0.00 -1.00 0.00 0.00 179.01 178.70 2r1h h ARG 8 N 0.55 0.22 -0.52 2.33 3.08 -1.18 0.05 114.38 118.91 2r1h h ARG 8 Ca 0.14 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 2r1h h ARG 8 Cb 0.23 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2r1h h ARG 8 CO -0.01 0.14 0.04 0.66 -1.07 0.00 0.00 179.97 179.73 2r1h h SER 9 N 0.22 0.81 -0.72 7.04 4.64 -1.21 -1.86 113.55 122.47 2r1h h SER 9 Ca 0.07 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 2r1h h SER 9 Cb -0.02 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 2r1h h SER 9 CO -0.02 0.85 0.32 0.00 -0.87 0.00 0.00 176.83 177.11 2r1h h ALA 10 N 1.24 0.93 -0.16 5.18 0.00 -0.39 -1.23 119.26 124.83 2r1h h ALA 10 Ca 0.16 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2r1h h ALA 10 Cb 0.43 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2r1h h ALA 10 CO 0.02 0.52 -0.26 0.82 0.00 0.00 0.00 179.25 180.34 2r1h h ILE 11 N 1.01 1.35 -0.53 0.00 2.04 -0.73 -0.85 117.51 119.81 2r1h h ILE 11 Ca 0.24 -1.49 -0.05 0.00 1.00 0.00 0.00 64.86 64.57 2r1h h ILE 11 Cb 0.16 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2r1h h ILE 11 CO -0.03 0.45 0.15 0.58 0.00 0.00 0.00 178.15 179.30 2r1h h VAL 12 N 0.09 1.24 -0.34 1.67 2.07 -1.33 -1.12 116.25 118.54 2r1h h VAL 12 Ca 0.01 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 2r1h h VAL 12 Cb 0.83 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2r1h h VAL 12 CO 0.06 0.30 0.05 1.23 0.02 0.00 0.00 177.57 179.23 2r1h h GLY 13 N 0.73 0.61 0.74 2.17 0.00 -1.23 -1.70 103.07 104.39 2r1h h GLY 13 Ca 0.17 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.09 2r1h h GLY 13 CO -0.00 0.38 -0.18 -2.00 0.00 0.00 0.00 176.54 174.74 2r1h h LEU 14 N 0.39 -0.48 -1.50 3.11 6.46 -1.08 -2.74 115.31 119.47 2r1h h LEU 14 Ca 0.10 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 2r1h h LEU 14 Cb 0.37 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 2r1h h LEU 14 CO 0.01 -0.26 0.38 -0.25 -0.62 0.00 0.00 178.44 177.70 2r1h h TRP 15 N -0.36 0.62 0.00 1.25 2.91 -1.11 -1.19 115.95 118.07 2r1h h TRP 15 Ca 0.01 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2r1h h TRP 15 Cb 0.36 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.81 2r1h h TRP 15 CO -0.16 0.35 0.00 0.78 -1.03 0.00 0.00 178.44 178.38 2r1h h GLY 16 N 0.63 0.00 -1.12 2.65 0.00 -1.02 -3.27 103.07 100.94 2r1h h GLY 16 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2r1h h GLY 16 CO -0.07 0.00 -0.01 0.58 0.00 0.00 0.00 176.54 177.05 2r1h n LYS 17 N -2.72 0.99 -4.10 4.80 2.85 -0.46 -4.94 118.16 114.57 2r1h n LYS 17 Ca 0.02 -1.33 -0.28 0.00 -1.05 0.00 0.00 58.31 55.67 2r1h n LYS 17 Cb 0.30 -1.27 -0.07 0.00 -0.65 0.00 0.00 35.03 33.35 2r1h n LYS 17 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2r1h s ILE 18 N -1.19 4.26 -0.43 0.58 -4.36 -1.14 -5.07 121.20 113.85 2r1h s ILE 18 Ca 0.16 -1.04 -0.16 0.00 -0.26 0.00 0.00 60.65 59.36 2r1h s ILE 18 Cb 0.12 -3.11 0.03 0.00 1.25 0.00 0.00 42.46 40.76 2r1h s ILE 18 CO 0.18 0.00 0.37 -0.55 0.24 0.00 0.00 174.94 175.18 2r1h s SER 19 N -2.72 6.14 0.56 4.36 0.15 -1.26 -4.93 113.70 115.99 2r1h s SER 19 Ca 0.29 -0.96 0.27 0.00 0.70 0.00 0.00 55.95 56.25 2r1h s SER 19 Cb -0.11 -2.18 1.62 0.00 -1.71 0.00 0.00 66.02 63.64 2r1h s SER 19 CO 0.21 -0.54 2.18 -0.37 1.20 0.00 0.00 173.24 175.91 2r1h h VAL 20 N 5.69 0.61 0.00 4.45 -1.51 -1.98 0.18 116.25 123.70 2r1h h VAL 20 Ca -0.27 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2r1h h VAL 20 Cb 1.11 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2r1h h VAL 20 CO 0.79 0.05 0.00 0.44 -1.23 0.00 0.00 177.57 177.62 2r1h h ASP 21 N 0.00 0.00 0.00 4.19 3.32 -1.91 -0.37 116.42 121.65 2r1h h ASP 21 Ca -0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 2r1h h ASP 21 Cb 0.12 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2r1h h ASP 21 CO 0.01 0.00 -1.16 1.21 -1.72 0.00 0.00 179.24 177.57 2r1h n GLU 22 N -2.76 0.54 -0.09 3.56 2.13 0.07 -4.48 120.64 119.61 2r1h n GLU 22 Ca 0.03 0.54 -0.10 0.00 0.66 0.00 0.00 57.16 58.28 2r1h n GLU 22 Cb 0.38 -1.71 -0.03 0.00 0.27 0.00 0.00 31.44 30.34 2r1h n GLU 22 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2r1h h ILE 23 N -1.00 1.20 0.42 6.31 1.08 -0.79 -2.91 117.51 121.82 2r1h h ILE 23 Ca -0.28 -0.65 -0.01 0.00 -0.39 0.00 0.00 64.86 63.53 2r1h h ILE 23 Cb 1.12 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 2r1h h ILE 23 CO -0.17 0.21 -0.49 1.23 -0.69 0.00 0.00 178.15 178.24 2r1h h GLY 24 N 0.27 -1.24 -0.36 5.37 0.00 -1.25 0.18 103.07 106.04 2r1h h GLY 24 Ca 0.09 0.59 0.16 0.00 0.00 0.00 0.00 47.33 48.17 2r1h h GLY 24 CO -0.00 -0.36 -0.04 -2.55 0.00 0.00 0.00 176.54 173.60 2r1h h PRO 25 N -0.93 0.08 -0.27 4.80 0.11 -1.72 -1.31 132.00 132.76 2r1h h PRO 25 Ca -0.05 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2r1h h PRO 25 Cb 0.82 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2r1h h PRO 25 CO -0.10 0.05 0.12 1.96 -0.21 0.00 0.00 178.00 179.82 2r1h h GLN 26 N 0.08 0.39 -0.38 1.05 4.20 -1.16 -1.98 115.11 117.32 2r1h h GLN 26 Ca 0.39 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.93 2r1h h GLN 26 Cb 0.67 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2r1h h GLN 26 CO -0.67 0.40 -0.19 0.00 -0.67 0.00 0.00 178.83 177.70 2r1h h ALA 27 N 0.97 0.96 -0.13 3.87 0.00 -0.34 -1.53 119.26 123.06 2r1h h ALA 27 Ca 0.09 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2r1h h ALA 27 Cb 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2r1h h ALA 27 CO -0.01 0.61 -0.33 1.25 0.00 0.00 0.00 179.25 180.76 2r1h h LEU 28 N 0.64 0.51 -0.38 0.00 5.85 -1.20 -0.98 115.31 119.75 2r1h h LEU 28 Ca 0.10 -0.58 0.06 0.00 0.84 0.00 0.00 57.88 58.29 2r1h h LEU 28 Cb 0.67 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2r1h h LEU 28 CO 0.05 1.01 0.07 0.00 -0.34 0.00 0.00 178.44 179.23 2r1h h ALA 29 N 0.52 0.41 -0.31 1.25 0.00 -1.36 -1.52 119.26 118.25 2r1h h ALA 29 Ca -0.01 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2r1h h ALA 29 Cb 0.94 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2r1h h ALA 29 CO 0.07 -0.33 0.02 -0.09 0.00 0.00 0.00 179.25 178.92 2r1h h ARG 30 N 0.20 0.11 -0.21 0.00 2.43 -1.21 -2.37 114.38 113.33 2r1h h ARG 30 Ca 0.18 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.40 2r1h h ARG 30 Cb 0.22 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 2r1h h ARG 30 CO -0.25 0.07 -0.15 1.25 -1.51 0.00 0.00 179.97 179.39 2r1h h LEU 31 N 0.11 -0.48 -2.27 3.80 5.85 -0.85 0.17 115.31 121.64 2r1h h LEU 31 Ca 0.15 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2r1h h LEU 31 Cb 0.19 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2r1h h LEU 31 CO -0.23 -0.19 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.56 2r1h h LEU 32 N -0.15 0.00 0.04 2.25 3.38 -0.91 0.40 115.31 120.32 2r1h h LEU 32 Ca 0.12 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.75 2r1h h LEU 32 Cb 0.33 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2r1h h LEU 32 CO -0.30 0.05 -1.95 -0.38 0.09 0.00 0.00 178.44 175.95 2r1h n ILE 33 N -3.42 1.61 0.08 1.22 5.41 -0.93 -3.77 119.36 119.56 2r1h n ILE 33 Ca -0.02 -0.39 -0.09 0.00 1.00 0.00 0.00 62.75 63.25 2r1h n ILE 33 Cb 0.17 -1.81 -0.11 0.00 -0.71 0.00 0.00 39.64 37.19 2r1h n ILE 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2r1h h VAL 34 N -0.48 1.64 -2.25 1.39 2.07 -0.46 -3.35 116.25 114.82 2r1h h VAL 34 Ca -0.48 -3.24 -0.60 0.00 0.82 0.00 0.00 66.70 63.20 2r1h h VAL 34 Cb 1.70 2.82 -0.42 0.00 -1.52 0.00 0.00 31.29 33.88 2r1h h VAL 34 CO -0.13 0.93 -0.61 -1.20 0.02 0.00 0.00 177.57 176.58 2r1h n SER 35 N -3.43 3.60 0.33 0.57 7.64 0.14 -4.99 113.62 117.48 2r1h n SER 35 Ca -0.02 -3.41 0.20 0.00 1.01 0.00 0.00 58.87 56.65 2r1h n SER 35 Cb 0.94 -0.68 1.09 0.00 -1.01 0.00 0.00 64.21 64.55 2r1h n SER 35 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2r1h h PRO 36 N 4.26 0.00 0.00 1.43 0.13 -1.70 -1.04 132.00 135.07 2r1h h PRO 36 Ca 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2r1h h PRO 36 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 2r1h h PRO 36 CO 0.82 0.00 -0.02 0.11 -0.23 0.00 0.00 178.00 178.68 2r1h h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -2.00 115.95 113.70 2r1h h TRP 37 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.98 2r1h h TRP 37 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.42 2r1h h TRP 37 CO 0.00 0.02 -0.04 1.79 0.09 0.00 0.00 178.44 180.30 2r1h h THR 38 N 0.00 0.16 0.00 0.12 1.35 -1.50 -2.01 112.91 111.03 2r1h h THR 38 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2r1h h THR 38 Cb 0.11 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2r1h h THR 38 CO 0.00 0.04 0.16 1.56 -0.25 0.00 0.00 175.52 177.03 2r1h h GLN 39 N 0.00 0.00 -1.42 4.72 4.20 -1.58 -2.23 115.11 118.80 2r1h h GLN 39 Ca -0.00 0.00 0.42 0.00 0.06 0.00 0.00 58.65 59.13 2r1h h GLN 39 Cb 0.30 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 2r1h h GLN 39 CO 0.00 0.00 0.99 -0.09 -0.67 0.00 0.00 178.83 179.07 2r1h h ARG 40 N 0.00 0.06 -0.00 1.46 2.43 -1.58 -1.33 114.38 115.42 2r1h h ARG 40 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2r1h h ARG 40 Cb 0.31 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2r1h h ARG 40 CO 0.00 0.04 -0.73 0.72 -1.51 0.00 0.00 179.97 178.49 2r1h n HIS 41 N -4.27 0.00 -0.50 2.20 8.25 -0.84 -4.54 115.22 115.53 2r1h n HIS 41 Ca 0.33 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.80 2r1h n HIS 41 Cb 1.45 -0.07 0.01 0.00 1.12 0.00 0.00 29.99 32.51 2r1h n HIS 41 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2r1h n PHE 42 N -1.16 0.00 0.21 4.41 3.72 -0.52 -4.78 117.46 119.35 2r1h n PHE 42 Ca 0.06 -0.35 0.14 0.00 -0.05 0.00 0.00 57.45 57.25 2r1h n PHE 42 Cb 0.36 -0.04 0.76 0.00 -0.94 0.00 0.00 39.48 39.62 2r1h n PHE 42 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2r1h h SER 43 N 0.00 0.00 0.10 4.37 4.64 -1.75 0.59 113.55 121.50 2r1h h SER 43 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r1h h SER 43 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2r1h h SER 43 CO 0.00 0.00 -0.12 0.35 -0.87 0.00 0.00 176.83 176.19 2r1h n THR 44 N -2.48 0.00 0.40 2.95 -2.24 -1.26 -4.32 114.28 107.33 2r1h n THR 44 Ca -0.02 -0.20 -0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2r1h n THR 44 Cb 0.05 0.47 0.10 0.00 -2.10 0.00 0.00 70.33 68.85 2r1h n THR 44 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2r1h n PHE 45 N -0.18 0.71 -1.13 4.78 3.01 0.20 -5.01 117.46 119.83 2r1h n PHE 45 Ca 0.16 -0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.21 2r1h n PHE 45 Cb 0.36 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 2r1h n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2r1h n GLY 46 N 0.14 0.29 3.64 1.37 0.00 -1.26 -4.55 105.19 104.83 2r1h n GLY 46 Ca 0.11 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 2r1h n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r1h s ASN 47 N -4.00 6.90 -0.09 1.61 6.03 -1.26 -4.84 114.94 119.29 2r1h s ASN 47 Ca 0.00 1.24 0.13 0.00 -1.03 0.00 0.00 52.86 53.21 2r1h s ASN 47 Cb 0.00 -2.54 0.22 0.00 -3.03 0.00 0.00 41.25 35.89 2r1h s ASN 47 CO 0.00 -0.87 1.11 0.18 -2.03 0.00 0.00 177.10 175.49 2r1h n LEU 48 N 6.90 1.66 0.25 3.54 4.77 -1.26 -3.90 117.00 128.95 2r1h n LEU 48 Ca 0.13 -2.50 0.10 0.00 -0.03 0.00 0.00 56.01 53.71 2r1h n LEU 48 Cb 0.46 -0.30 0.63 0.00 -2.33 0.00 0.00 43.42 41.88 2r1h n LEU 48 CO 0.58 0.61 0.93 0.77 -1.33 0.00 0.00 177.39 178.95 2r1h h SER 49 N 0.07 0.00 -4.71 -1.43 4.64 -1.95 -3.44 113.55 106.73 2r1h h SER 49 Ca -0.01 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 2r1h h SER 49 Cb 1.14 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.07 2r1h h SER 49 CO 0.00 0.16 -0.70 0.42 -0.87 0.00 0.00 176.83 175.84 2r1h s THR 50 N -4.29 0.60 0.21 2.95 -4.23 -1.26 -5.04 115.64 104.58 2r1h s THR 50 Ca -0.03 -1.78 -0.10 0.00 -1.18 0.00 0.00 61.69 58.61 2r1h s THR 50 Cb 0.14 -1.48 0.31 0.00 1.34 0.00 0.00 72.50 72.80 2r1h s THR 50 CO 0.63 -0.81 1.28 -2.65 -0.54 0.00 0.00 174.62 172.52 2r1h n PRO 51 N 0.22 -0.12 -0.03 3.99 -0.02 -1.26 -1.81 135.00 135.97 2r1h n PRO 51 Ca -0.14 1.27 -0.11 0.00 -2.02 0.00 0.00 63.50 62.50 2r1h n PRO 51 Cb 0.60 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.14 2r1h n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r1h h ALA 52 N 1.44 0.20 -0.28 3.55 0.00 -1.97 -1.68 119.26 120.51 2r1h h ALA 52 Ca 0.35 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.24 2r1h h ALA 52 Cb 0.56 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2r1h h ALA 52 CO -0.83 -0.29 0.14 0.00 0.00 0.00 0.00 179.25 178.27 2r1h h ALA 53 N 1.01 0.34 -0.14 0.00 0.00 -1.74 0.13 119.26 118.86 2r1h h ALA 53 Ca 0.06 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2r1h h ALA 53 Cb 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2r1h h ALA 53 CO -0.01 -0.25 -0.17 0.82 0.00 0.00 0.00 179.25 179.64 2r1h h ILE 54 N 0.30 0.55 0.00 0.00 2.04 -1.26 0.41 117.51 119.55 2r1h h ILE 54 Ca 0.12 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 2r1h h ILE 54 Cb 0.03 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2r1h h ILE 54 CO -0.08 0.00 -0.26 0.24 0.00 0.00 0.00 178.15 178.05 2r1h h MET 55 N -0.21 0.00 -0.03 2.37 2.86 -0.87 -1.42 114.93 117.62 2r1h h MET 55 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2r1h h MET 55 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2r1h h MET 55 CO -0.27 0.26 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2r1h n GLY 56 N -0.50 0.18 3.61 8.32 0.00 0.42 -4.93 105.19 112.30 2r1h n GLY 56 Ca -0.02 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 2r1h n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2r1h s ASN 57 N -1.97 6.47 0.26 1.61 3.84 0.14 -4.92 114.94 120.36 2r1h s ASN 57 Ca 0.36 1.05 -0.05 0.00 0.21 0.00 0.00 52.86 54.44 2r1h s ASN 57 Cb 0.21 -2.54 0.30 0.00 -0.55 0.00 0.00 41.25 38.66 2r1h s ASN 57 CO 0.33 -1.28 1.89 -0.65 -2.79 0.00 0.00 177.10 174.59 2r1h h PRO 58 N 10.18 1.18 -0.46 0.43 0.11 -1.88 -1.05 132.00 140.51 2r1h h PRO 58 Ca -0.28 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 2r1h h PRO 58 Cb 1.11 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 2r1h h PRO 58 CO 1.06 0.85 0.00 0.00 -0.21 0.00 0.00 178.00 179.70 2r1h h ALA 59 N 1.34 0.62 -0.43 -0.75 0.00 -1.91 -0.58 119.26 117.55 2r1h h ALA 59 Ca 0.31 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2r1h h ALA 59 Cb -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2r1h h ALA 59 CO -0.05 0.42 -0.25 0.28 0.00 0.00 0.00 179.25 179.65 2r1h h VAL 60 N 0.67 1.27 -0.13 0.00 2.07 -1.78 -1.33 116.25 117.02 2r1h h VAL 60 Ca 0.13 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.29 2r1h h VAL 60 Cb 0.50 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2r1h h VAL 60 CO 0.02 0.48 -0.18 0.00 0.02 0.00 0.00 177.57 177.91 2r1h h ALA 61 N 0.82 -0.11 -0.63 1.67 0.00 -1.11 0.50 119.26 120.41 2r1h h ALA 61 Ca 0.09 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2r1h h ALA 61 Cb 0.83 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2r1h h ALA 61 CO 0.07 -0.63 0.41 0.87 0.00 0.00 0.00 179.25 179.98 2r1h h LYS 62 N -0.22 0.81 -0.02 0.00 1.79 -0.86 -2.44 116.57 115.62 2r1h h LYS 62 Ca 0.10 -0.05 -0.19 0.00 -2.18 0.00 0.00 60.65 58.33 2r1h h LYS 62 Cb 0.36 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2r1h h LYS 62 CO -0.26 0.53 -0.81 1.25 -1.08 0.00 0.00 179.45 179.08 2r1h h HIS 63 N 0.83 0.38 -0.50 -1.35 2.76 -0.77 -2.76 115.15 113.75 2r1h h HIS 63 Ca 0.23 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2r1h h HIS 63 Cb -0.07 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 2r1h h HIS 63 CO -0.00 0.97 0.26 0.78 -1.30 0.00 0.00 177.93 178.64 2r1h h GLY 64 N 1.59 0.74 1.00 5.26 0.00 -0.53 -2.07 103.07 109.05 2r1h h GLY 64 Ca -0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2r1h h GLY 64 CO 0.13 0.31 0.11 0.50 0.00 0.00 0.00 176.54 177.59 2r1h h LYS 65 N 0.69 0.87 -0.32 4.80 1.57 -1.18 -2.53 116.57 120.47 2r1h h LYS 65 Ca 0.18 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2r1h h LYS 65 Cb 0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2r1h h LYS 65 CO -0.03 0.83 -0.34 1.79 -0.57 0.00 0.00 179.45 181.14 2r1h h THR 66 N 0.76 1.28 -0.45 -0.16 1.35 -1.26 -1.27 112.91 113.16 2r1h h THR 66 Ca 0.16 -1.48 0.07 0.00 -0.55 0.00 0.00 66.41 64.62 2r1h h THR 66 Cb 0.37 1.39 -0.06 0.00 -1.73 0.00 0.00 68.15 68.12 2r1h h THR 66 CO 0.01 0.48 0.08 0.58 -0.25 0.00 0.00 175.52 176.42 2r1h h VAL 67 N 0.60 0.75 -0.51 6.82 2.07 -1.27 0.12 116.25 124.84 2r1h h VAL 67 Ca 0.06 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 2r1h h VAL 67 Cb 0.86 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2r1h h VAL 67 CO 0.07 0.04 -0.12 0.24 0.02 0.00 0.00 177.57 177.83 2r1h h MET 68 N 0.22 0.95 0.00 1.57 2.07 -1.05 -1.55 114.93 117.14 2r1h h MET 68 Ca 0.22 -0.35 -0.06 0.00 -2.07 0.00 0.00 59.70 57.45 2r1h h MET 68 Cb 0.29 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.94 2r1h h MET 68 CO -0.30 1.01 -0.27 0.45 1.07 0.00 0.00 176.91 178.88 2r1h h HIS 69 N 0.85 0.00 -0.70 -0.22 3.86 -1.04 -0.98 115.15 116.92 2r1h h HIS 69 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2r1h h HIS 69 Cb 0.66 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 2r1h h HIS 69 CO 0.04 0.27 0.44 0.78 0.86 0.00 0.00 177.93 180.32 2r1h h GLY 70 N 2.09 1.00 2.00 2.45 0.00 0.18 -2.76 103.07 108.04 2r1h h GLY 70 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 2r1h h GLY 70 CO 0.03 0.38 -0.25 1.41 0.00 0.00 0.00 176.54 178.12 2r1h h LEU 71 N 0.96 0.00 -1.50 3.11 3.38 -0.37 -3.27 115.31 117.61 2r1h h LEU 71 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2r1h h LEU 71 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2r1h h LEU 71 CO -0.05 0.25 0.19 -0.78 0.09 0.00 0.00 178.44 178.14 2r1h h ASP 72 N 0.00 0.46 -0.38 -0.43 -0.00 -1.07 -0.82 116.42 114.18 2r1h h ASP 72 Ca -0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.03 56.98 2r1h h ASP 72 Cb 1.10 -0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 40.29 2r1h h ASP 72 CO 0.03 0.39 0.19 0.03 -0.00 0.00 0.00 179.24 179.89 2r1h h ARG 73 N 0.53 0.59 -0.23 0.28 3.08 -1.65 -0.41 114.38 116.57 2r1h h ARG 73 Ca 0.14 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 2r1h h ARG 73 Cb 0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2r1h h ARG 73 CO -0.02 0.47 -0.21 0.00 -1.07 0.00 0.00 179.97 179.14 2r1h h ALA 74 N 1.62 0.33 -0.84 0.04 0.00 -1.34 -3.07 119.26 116.01 2r1h h ALA 74 Ca 0.15 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2r1h h ALA 74 Cb 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2r1h h ALA 74 CO -0.02 0.27 0.41 0.28 0.00 0.00 0.00 179.25 180.19 2r1h h VAL 75 N 0.23 1.26 -0.07 0.00 2.07 -0.87 -2.06 116.25 116.80 2r1h h VAL 75 Ca 0.04 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.87 2r1h h VAL 75 Cb 0.75 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2r1h h VAL 75 CO 0.05 0.31 0.07 1.56 0.02 0.00 0.00 177.57 179.58 2r1h h GLN 76 N 1.19 0.00 -1.73 1.57 1.08 -1.08 -3.36 115.11 112.78 2r1h h GLN 76 Ca 0.29 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.17 2r1h h GLN 76 Cb 0.11 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 27.26 2r1h h GLN 76 CO -0.04 0.00 -0.65 1.21 -0.95 0.00 0.00 178.83 178.40 2r1h s ASN 77 N -6.39 0.49 0.42 1.46 3.84 -0.79 -4.98 114.94 108.99 2r1h s ASN 77 Ca -0.05 -1.60 0.30 0.00 0.21 0.00 0.00 52.86 51.72 2r1h s ASN 77 Cb 0.16 0.84 1.32 0.00 -0.55 0.00 0.00 41.25 43.02 2r1h s ASN 77 CO 0.60 -0.22 1.89 -0.07 -2.79 0.00 0.00 177.10 176.51 2r1h h LEU 78 N 6.73 0.00 -1.61 3.21 3.38 -1.67 -2.76 115.31 122.60 2r1h h LEU 78 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2r1h h LEU 78 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2r1h h LEU 78 CO 0.18 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.18 2r1h n ASP 79 N -2.66 2.48 -1.89 -0.43 8.00 -1.26 -4.32 116.55 116.46 2r1h n ASP 79 Ca 0.01 -1.82 0.02 0.00 0.71 0.00 0.00 54.79 53.71 2r1h n ASP 79 Cb 0.22 -0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.31 2r1h n ASP 79 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2r1h n ASP 80 N 0.92 0.98 -0.27 -2.24 2.03 -1.04 -4.90 116.55 112.03 2r1h n ASP 80 Ca 0.16 -2.01 -0.01 0.00 0.52 0.00 0.00 54.79 53.45 2r1h n ASP 80 Cb 0.50 -0.29 0.19 0.00 -0.72 0.00 0.00 41.12 40.80 2r1h n ASP 80 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2r1h h ILE 81 N 6.41 1.22 -0.65 5.18 2.04 -1.75 -2.24 117.51 127.72 2r1h h ILE 81 Ca -0.23 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.24 2r1h h ILE 81 Cb 1.67 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2r1h h ILE 81 CO 0.09 0.22 0.38 0.07 0.00 0.00 0.00 178.15 178.91 2r1h h LYS 82 N 1.12 0.70 0.00 2.37 2.10 -1.90 -2.18 116.57 118.79 2r1h h LYS 82 Ca 0.30 -0.04 -0.10 0.00 -2.00 0.00 0.00 60.65 58.81 2r1h h LYS 82 Cb -0.09 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.06 2r1h h LYS 82 CO -0.06 0.46 -0.47 -0.91 -2.00 0.00 0.00 179.45 176.47 2r1h h ASN 83 N 0.72 0.00 -0.51 7.07 2.35 -1.91 -3.10 115.58 120.20 2r1h h ASN 83 Ca 0.28 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 2r1h h ASN 83 Cb 0.10 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 2r1h h ASN 83 CO -0.14 0.47 0.27 0.74 -1.65 0.00 0.00 177.43 177.11 2r1h h THR 84 N 0.00 1.18 -0.45 2.81 2.02 -0.79 -3.12 112.91 114.55 2r1h h THR 84 Ca -0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2r1h h THR 84 Cb 1.22 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2r1h h THR 84 CO 0.06 0.20 0.00 -1.22 0.37 0.00 0.00 175.52 174.93 2r1h n TYR 85 N -4.38 0.59 0.29 3.16 4.02 -1.07 -4.69 117.16 115.08 2r1h n TYR 85 Ca 0.05 -0.38 -0.18 0.00 -0.01 0.00 0.00 57.90 57.38 2r1h n TYR 85 Cb 0.12 -0.01 -0.09 0.00 -0.02 0.00 0.00 39.34 39.34 2r1h n TYR 85 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2r1h h VAL 86 N 3.44 0.08 -0.61 -0.72 2.07 -1.48 0.78 116.25 119.81 2r1h h VAL 86 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2r1h h VAL 86 Cb 0.86 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 2r1h h VAL 86 CO 0.00 0.00 0.33 0.74 0.02 0.00 0.00 177.57 178.66 2r1h h THR 87 N -0.96 0.95 -0.25 2.57 2.02 -1.83 -2.15 112.91 113.27 2r1h h THR 87 Ca -0.06 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 2r1h h THR 87 Cb 0.83 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2r1h h THR 87 CO -0.05 0.11 -0.03 -0.07 0.37 0.00 0.00 175.52 175.85 2r1h h LEU 88 N 0.61 0.34 -0.10 2.58 3.38 -1.77 -1.68 115.31 118.68 2r1h h LEU 88 Ca 0.28 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2r1h h LEU 88 Cb 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2r1h h LEU 88 CO -0.18 0.43 -0.05 -1.28 0.09 0.00 0.00 178.44 177.44 2r1h h SER 89 N 0.36 0.22 -0.50 -0.43 0.87 -0.25 -1.68 113.55 112.15 2r1h h SER 89 Ca 0.08 -0.42 0.06 0.00 -1.23 0.00 0.00 61.79 60.28 2r1h h SER 89 Cb 0.29 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 2r1h h SER 89 CO 0.01 0.59 0.20 0.58 -0.53 0.00 0.00 176.83 177.68 2r1h h VAL 90 N -0.15 0.87 0.14 2.23 2.07 -1.22 -0.96 116.25 119.23 2r1h h VAL 90 Ca 0.02 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2r1h h VAL 90 Cb 0.51 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2r1h h VAL 90 CO 0.02 0.07 -0.10 -0.03 0.02 0.00 0.00 177.57 177.55 2r1h h MET 91 N 0.39 -0.23 -0.54 1.57 -1.53 -1.21 0.22 114.93 113.61 2r1h h MET 91 Ca 0.23 0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.49 2r1h h MET 91 Cb 0.22 0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.30 2r1h h MET 91 CO -0.22 -0.15 0.24 0.45 0.14 0.00 0.00 176.91 177.37 2r1h h HIS 92 N -0.24 0.75 0.18 1.39 3.86 -1.04 -0.15 115.15 119.90 2r1h h HIS 92 Ca -0.01 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2r1h h HIS 92 Cb 0.21 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.44 2r1h h HIS 92 CO -0.09 0.57 -0.09 1.03 0.86 0.00 0.00 177.93 180.21 2r1h h SER 93 N 0.76 -0.20 0.40 2.45 0.87 -0.97 0.20 113.55 117.04 2r1h h SER 93 Ca 0.19 -0.33 -0.22 0.00 -1.23 0.00 0.00 61.79 60.19 2r1h h SER 93 Cb 0.11 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 2r1h h SER 93 CO -0.02 0.33 -1.79 -0.62 -0.53 0.00 0.00 176.83 174.19 2r1h n GLU 94 N -4.95 0.65 -0.09 2.24 1.02 0.76 -2.97 120.64 117.30 2r1h n GLU 94 Ca -0.08 0.13 -0.23 0.00 -0.02 0.00 0.00 57.16 56.96 2r1h n GLU 94 Cb 0.26 -1.70 -0.12 0.00 -0.02 0.00 0.00 31.44 29.87 2r1h n GLU 94 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2r1h n LYS 95 N -2.80 0.64 -0.05 3.49 4.81 -0.14 -4.73 118.16 119.37 2r1h n LYS 95 Ca -0.16 0.32 -0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2r1h n LYS 95 Cb 0.93 -1.62 -0.16 0.00 0.02 0.00 0.00 35.03 34.20 2r1h n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2r1h n LEU 96 N -3.88 0.05 -3.32 3.14 4.77 -0.79 -5.02 117.00 111.95 2r1h n LEU 96 Ca -0.41 0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.39 2r1h n LEU 96 Cb 0.90 0.25 0.08 0.00 -2.33 0.00 0.00 43.42 42.32 2r1h n LEU 96 CO 0.22 0.26 0.18 0.49 -1.33 0.00 0.00 177.39 177.21 2r1h n PHE 97 N -2.54 -2.44 -3.11 -1.77 3.01 -0.02 -4.96 117.46 105.63 2r1h n PHE 97 Ca -0.19 0.91 -0.40 0.00 1.01 0.00 0.00 57.45 58.79 2r1h n PHE 97 Cb 0.88 -4.78 -0.06 0.00 -0.01 0.00 0.00 39.48 35.51 2r1h n PHE 97 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2r1h s VAL 98 N -3.31 5.01 -0.01 -4.37 1.01 -0.71 -5.01 120.40 113.01 2r1h s VAL 98 Ca 0.34 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 2r1h s VAL 98 Cb -0.15 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 2r1h s VAL 98 CO 0.67 0.09 2.00 -0.67 0.00 0.00 0.00 175.10 177.20 2r1h n ASP 99 N 5.18 4.00 0.13 3.32 -0.08 -1.26 -4.69 116.55 123.15 2r1h n ASP 99 Ca -0.01 0.82 0.12 0.00 -1.51 0.00 0.00 54.79 54.21 2r1h n ASP 99 Cb 0.49 -1.52 0.50 0.00 2.34 0.00 0.00 41.12 42.94 2r1h n ASP 99 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2r1h n PRO 100 N 7.62 0.18 0.29 -0.67 -0.04 -1.26 -0.91 135.00 140.21 2r1h n PRO 100 Ca 0.22 0.46 0.16 0.00 -0.04 0.00 0.00 63.50 64.29 2r1h n PRO 100 Cb 0.40 -1.88 0.93 0.00 -0.04 0.00 0.00 33.50 32.91 2r1h n PRO 100 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2r1h h ASP 101 N 0.00 0.00 0.88 3.54 3.58 -1.99 -0.67 116.42 121.75 2r1h h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2r1h h ASP 101 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2r1h h ASP 101 CO 0.00 0.00 0.00 0.78 -2.88 0.00 0.00 179.24 177.14 2r1h h ASN 102 N 0.00 0.00 -0.47 2.28 2.35 -1.41 -2.53 115.58 115.80 2r1h h ASN 102 Ca 0.01 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 2r1h h ASN 102 Cb 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2r1h h ASN 102 CO -0.00 0.00 -0.01 -0.26 -1.65 0.00 0.00 177.43 175.51 2r1h h PHE 103 N 0.00 0.92 0.01 1.19 0.04 -1.28 -0.16 116.94 117.65 2r1h h PHE 103 Ca 0.00 -0.16 0.02 0.00 2.80 0.00 0.00 57.97 60.62 2r1h h PHE 103 Cb 0.44 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 2r1h h PHE 103 CO 0.00 0.88 -0.10 -0.09 -0.60 0.00 0.00 178.31 178.40 2r1h h ARG 104 N 0.69 -0.17 -0.89 1.51 2.43 -1.53 -0.78 114.38 115.64 2r1h h ARG 104 Ca 0.13 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2r1h h ARG 104 Cb 0.52 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 2r1h h ARG 104 CO 0.03 -0.11 0.59 -0.07 -1.51 0.00 0.00 179.97 178.89 2r1h h LEU 105 N -0.17 0.96 -0.20 3.80 3.38 -1.38 -0.57 115.31 121.13 2r1h h LEU 105 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2r1h h LEU 105 Cb 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2r1h h LEU 105 CO -0.09 0.65 -0.04 0.25 0.09 0.00 0.00 178.44 179.30 2r1h h LEU 106 N 1.11 0.38 -0.63 1.67 5.85 -0.79 -2.12 115.31 120.78 2r1h h LEU 106 Ca 0.36 -0.36 0.12 0.00 0.84 0.00 0.00 57.88 58.84 2r1h h LEU 106 Cb 0.04 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 40.87 2r1h h LEU 106 CO -0.11 0.66 0.14 0.00 -0.34 0.00 0.00 178.44 178.78 2r1h h ALA 107 N 0.74 0.76 -0.64 1.25 0.00 -0.73 0.60 119.26 121.23 2r1h h ALA 107 Ca 0.05 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2r1h h ALA 107 Cb 0.49 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2r1h h ALA 107 CO 0.02 -0.31 0.30 -0.44 0.00 0.00 0.00 179.25 178.82 2r1h h ASP 108 N 0.26 0.83 -0.09 0.00 3.32 -0.83 -0.80 116.42 119.11 2r1h h ASP 108 Ca 0.34 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 2r1h h ASP 108 Cb 0.52 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2r1h h ASP 108 CO -0.43 0.71 -0.27 0.00 -1.72 0.00 0.00 179.24 177.53 2r1h h ILE 110 N 0.47 1.09 -0.46 0.00 2.04 -0.19 -0.92 117.51 119.54 2r1h h ILE 110 Ca 0.06 -0.24 0.09 0.00 1.00 0.00 0.00 64.86 65.78 2r1h h ILE 110 Cb 0.72 1.03 -0.10 0.00 -0.74 0.00 0.00 36.82 37.73 2r1h h ILE 110 CO 0.05 0.08 -0.20 0.74 0.00 0.00 0.00 178.15 178.82 2r1h h THR 111 N 0.10 0.38 -0.64 -0.27 2.02 -1.02 0.40 112.91 113.88 2r1h h THR 111 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2r1h h THR 111 Cb 0.07 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 2r1h h THR 111 CO -0.01 0.00 0.42 0.58 0.37 0.00 0.00 175.52 176.88 2r1h h VAL 112 N -0.11 1.17 -0.19 3.16 2.07 -1.11 0.27 116.25 121.51 2r1h h VAL 112 Ca 0.22 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 2r1h h VAL 112 Cb 0.45 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2r1h h VAL 112 CO -0.53 0.17 -0.48 0.00 0.02 0.00 0.00 177.57 176.75 2r1h h VAL 114 N 0.39 1.24 -0.59 0.00 2.07 -0.55 -1.47 116.25 117.35 2r1h h VAL 114 Ca 0.02 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.72 2r1h h VAL 114 Cb 0.98 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 2r1h h VAL 114 CO 0.09 0.29 0.33 0.00 0.02 0.00 0.00 177.57 178.30 2r1h h ALA 115 N 0.89 0.76 -0.77 1.67 0.00 -0.87 0.30 119.26 121.24 2r1h h ALA 115 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2r1h h ALA 115 Cb 0.38 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2r1h h ALA 115 CO 0.01 0.03 0.41 0.00 0.00 0.00 0.00 179.25 179.70 2r1h h ALA 116 N 1.29 1.00 -0.18 0.00 0.00 -1.10 0.43 119.26 120.69 2r1h h ALA 116 Ca 0.25 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2r1h h ALA 116 Cb 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2r1h h ALA 116 CO -0.14 0.53 -0.30 -0.22 0.00 0.00 0.00 179.25 179.12 2r1h h LYS 117 N 1.08 0.52 0.00 0.00 1.63 -0.75 -3.34 116.57 115.72 2r1h h LYS 117 Ca 0.27 -0.32 -0.21 0.00 -0.85 0.00 0.00 60.65 59.54 2r1h h LYS 117 Cb 0.06 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 2r1h h LYS 117 CO -0.04 0.93 -1.34 -0.07 -3.45 0.00 0.00 179.45 175.47 2r1h h LEU 118 N 0.17 0.00 -0.04 5.20 3.38 -0.89 -3.51 115.31 119.63 2r1h h LEU 118 Ca 0.01 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2r1h h LEU 118 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2r1h h LEU 118 CO 0.07 0.79 -0.08 0.61 0.09 0.00 0.00 178.44 179.92 2r1h n GLY 119 N 1.42 -1.94 0.14 0.83 0.00 0.13 -4.37 105.19 101.41 2r1h n GLY 119 Ca -0.09 -1.47 0.13 0.00 0.00 0.00 0.00 46.02 44.59 2r1h n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r1h h PRO 120 N -0.12 0.00 0.11 1.61 0.13 -1.81 -1.25 132.00 130.67 2r1h h PRO 120 Ca -0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.86 2r1h h PRO 120 Cb 0.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.25 2r1h h PRO 120 CO 0.00 0.00 -1.37 0.00 -0.23 0.00 0.00 178.00 176.40 2r1h h ALA 121 N 2.35 0.17 -0.01 -0.56 0.00 -1.98 -3.29 119.26 115.94 2r1h h ALA 121 Ca 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 54.91 53.74 2r1h h ALA 121 Cb 0.72 0.47 0.01 0.00 0.00 0.00 0.00 17.79 18.99 2r1h h ALA 121 CO 0.00 0.80 -0.38 0.28 0.00 0.00 0.00 179.25 179.95 2r1h h VAL 122 N -0.34 1.49 -1.38 0.00 2.07 -1.76 -3.30 116.25 113.04 2r1h h VAL 122 Ca -0.30 -1.97 -0.76 0.00 0.82 0.00 0.00 66.70 64.50 2r1h h VAL 122 Cb 1.73 2.66 -0.15 0.00 -1.52 0.00 0.00 31.29 34.01 2r1h h VAL 122 CO 0.05 0.55 2.07 0.33 0.02 0.00 0.00 177.57 180.59 2r1h n PHE 123 N -4.40 2.84 -1.32 1.57 7.35 -0.47 -4.89 117.46 118.13 2r1h n PHE 123 Ca -0.10 -2.78 -0.29 0.00 -0.76 0.00 0.00 57.45 53.52 2r1h n PHE 123 Cb 0.56 -1.91 0.17 0.00 0.35 0.00 0.00 39.48 38.66 2r1h n PHE 123 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2r1h s SER 124 N 0.68 2.63 0.25 -2.13 1.04 -1.24 -4.59 113.70 110.34 2r1h s SER 124 Ca 0.42 0.95 -0.03 0.00 0.48 0.00 0.00 55.95 57.77 2r1h s SER 124 Cb 0.11 -1.48 0.43 0.00 0.10 0.00 0.00 66.02 65.18 2r1h s SER 124 CO -0.01 -3.10 1.81 0.00 0.98 0.00 0.00 173.24 172.92 2r1h h ALA 125 N -1.87 1.23 -0.11 5.32 0.00 -1.93 0.16 119.26 122.05 2r1h h ALA 125 Ca -0.51 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 2r1h h ALA 125 Cb 1.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2r1h h ALA 125 CO 0.54 0.09 -0.53 -0.44 0.00 0.00 0.00 179.25 178.92 2r1h h ASP 126 N 0.80 0.35 -0.28 0.00 3.32 -1.98 -0.63 116.42 117.98 2r1h h ASP 126 Ca 0.42 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 2r1h h ASP 126 Cb 0.41 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2r1h h ASP 126 CO -0.26 0.81 -0.01 0.74 -1.72 0.00 0.00 179.24 178.80 2r1h h THR 127 N 0.25 1.26 -0.56 0.35 2.02 -1.68 -2.54 112.91 112.01 2r1h h THR 127 Ca 0.01 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 2r1h h THR 127 Cb 1.01 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 2r1h h THR 127 CO 0.09 0.30 0.34 -0.61 0.37 0.00 0.00 175.52 176.01 2r1h h GLN 128 N 0.29 0.75 -0.41 6.66 4.15 -0.80 -0.13 115.11 125.61 2r1h h GLN 128 Ca 0.08 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2r1h h GLN 128 Cb 0.44 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2r1h h GLN 128 CO 0.02 0.52 0.19 1.49 -1.93 0.00 0.00 178.83 179.11 2r1h h GLU 129 N 0.76 0.60 -0.26 1.69 4.22 -0.92 0.18 114.58 120.86 2r1h h GLU 129 Ca 0.20 -0.10 -0.07 0.00 0.08 0.00 0.00 59.36 59.47 2r1h h GLU 129 Cb -0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2r1h h GLU 129 CO -0.04 0.54 -0.12 0.00 -2.18 0.00 0.00 179.01 177.21 2r1h h ALA 130 N 1.04 0.36 -0.96 2.92 0.00 -1.11 -2.35 119.26 119.15 2r1h h ALA 130 Ca 0.14 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2r1h h ALA 130 Cb 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2r1h h ALA 130 CO -0.02 0.23 0.63 0.35 0.00 0.00 0.00 179.25 180.44 2r1h h PHE 131 N 0.27 1.19 -0.32 0.00 3.57 -0.82 -1.30 116.94 119.53 2r1h h PHE 131 Ca 0.06 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2r1h h PHE 131 Cb 0.63 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2r1h h PHE 131 CO 0.06 0.71 -0.01 0.37 -2.23 0.00 0.00 178.31 177.21 2r1h h GLN 132 N 1.25 0.57 -0.76 1.11 5.75 -0.55 0.59 115.11 123.07 2r1h h GLN 132 Ca 0.37 -0.19 0.02 0.00 -0.15 0.00 0.00 58.65 58.70 2r1h h GLN 132 Cb -0.07 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 2r1h h GLN 132 CO -0.10 0.72 0.49 -0.22 -2.65 0.00 0.00 178.83 177.06 2r1h h LYS 133 N 0.36 0.95 -0.13 1.69 3.64 -1.26 0.19 116.57 122.01 2r1h h LYS 133 Ca 0.09 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2r1h h LYS 133 Cb 0.47 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2r1h h LYS 133 CO 0.02 0.63 0.09 0.35 -2.27 0.00 0.00 179.45 178.26 2r1h h PHE 134 N 0.97 0.17 -0.54 1.91 3.57 -1.02 -1.67 116.94 120.34 2r1h h PHE 134 Ca 0.29 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.70 2r1h h PHE 134 Cb -0.05 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2r1h h PHE 134 CO -0.03 0.12 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.06 2r1h h LEU 135 N 0.17 0.94 -1.00 0.59 3.38 -0.39 -0.72 115.31 118.27 2r1h h LEU 135 Ca 0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2r1h h LEU 135 Cb -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2r1h h LEU 135 CO -0.01 1.02 0.24 0.00 0.09 0.00 0.00 178.44 179.78 2r1h h ALA 136 N 1.07 1.21 -0.39 1.53 0.00 -0.47 0.26 119.26 122.47 2r1h h ALA 136 Ca 0.15 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2r1h h ALA 136 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2r1h h ALA 136 CO 0.03 0.57 -0.37 0.28 0.00 0.00 0.00 179.25 179.76 2r1h h VAL 137 N 0.93 1.27 -0.15 0.00 2.07 -0.92 -1.35 116.25 118.11 2r1h h VAL 137 Ca 0.22 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 2r1h h VAL 137 Cb 0.21 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2r1h h VAL 137 CO -0.02 0.52 0.07 0.58 0.02 0.00 0.00 177.57 178.74 2r1h h VAL 138 N 0.76 1.14 -0.64 2.57 2.07 -0.69 -1.69 116.25 119.77 2r1h h VAL 138 Ca 0.06 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.17 2r1h h VAL 138 Cb 0.96 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2r1h h VAL 138 CO 0.09 0.13 0.42 0.58 0.02 0.00 0.00 177.57 178.81 2r1h h VAL 139 N 0.10 1.15 -0.69 2.57 2.07 -0.40 -1.02 116.25 120.02 2r1h h VAL 139 Ca 0.05 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2r1h h VAL 139 Cb 0.15 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2r1h h VAL 139 CO -0.01 0.15 0.45 -1.28 0.02 0.00 0.00 177.57 176.91 2r1h h SER 140 N 0.85 0.81 -0.63 0.57 0.87 -1.17 -2.17 113.55 112.67 2r1h h SER 140 Ca 0.24 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 2r1h h SER 140 Cb -0.08 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 2r1h h SER 140 CO -0.06 0.60 0.13 0.00 -0.53 0.00 0.00 176.83 176.97 2r1h h ALA 141 N 1.24 0.84 -0.14 6.23 0.00 -0.72 -1.29 119.26 125.42 2r1h h ALA 141 Ca 0.25 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2r1h h ALA 141 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2r1h h ALA 141 CO -0.05 0.58 -0.09 -0.07 0.00 0.00 0.00 179.25 179.61 2r1h h LEU 142 N 0.95 0.20 0.00 0.00 3.38 -1.00 -2.74 115.31 116.10 2r1h h LEU 142 Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2r1h h LEU 142 Cb 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2r1h h LEU 142 CO 0.01 0.32 -0.33 0.61 0.09 0.00 0.00 178.44 179.14 2r1h n GLY 143 N -1.00 -1.36 0.20 0.83 0.00 -0.83 -4.39 105.19 98.63 2r1h n GLY 143 Ca -0.01 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.78 2r1h n GLY 143 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2r1h h ARG 144 N 0.00 0.09 -0.65 1.61 2.43 -0.93 -2.79 114.38 114.14 2r1h h ARG 144 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2r1h h ARG 144 Cb 0.53 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2r1h h ARG 144 CO 0.00 0.41 0.00 1.04 -1.51 0.00 0.00 179.97 179.91 2r1h n GLN 145 N -4.13 2.81 -2.50 0.20 1.13 -1.26 -4.89 117.38 108.73 2r1h n GLN 145 Ca -0.02 -2.42 -0.43 0.00 -1.94 0.00 0.00 57.00 52.20 2r1h n GLN 145 Cb 0.38 -1.61 -0.02 0.00 0.11 0.00 0.00 30.24 29.10 2r1h n GLN 145 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2r1h s TYR 146 N -1.34 3.17 0.00 1.08 1.51 -1.05 -4.76 117.35 115.95 2r1h s TYR 146 Ca 0.44 1.25 0.00 0.00 -1.01 0.00 0.00 57.07 57.75 2r1h s TYR 146 Cb 0.25 -3.39 0.00 0.00 -0.11 0.00 0.00 41.96 38.71 2r1h s TYR 146 CO 0.27 -1.16 0.00 -2.39 -1.11 0.00 0.00 175.55 171.16