#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 5.58 0.24 6.55 1.01 -1.26 -5.04 116.67 123.75 2r1h s ASP 2 Ca 0.00 -2.61 -0.30 0.00 0.71 0.00 0.00 52.55 50.36 2r1h s ASP 2 Cb 0.00 -1.94 -0.09 0.00 1.01 0.00 0.00 42.92 41.90 2r1h s ASP 2 CO 0.00 -0.47 1.00 0.26 0.21 0.00 0.00 175.17 176.16 2r1h s TRP 3 N 0.31 3.84 0.41 4.23 0.52 -1.26 -5.07 118.94 121.92 2r1h s TRP 3 Ca 0.15 1.83 -0.10 0.00 0.02 0.00 0.00 56.10 57.99 2r1h s TRP 3 Cb -0.20 -3.09 -0.06 0.00 -1.15 0.00 0.00 33.47 28.97 2r1h s TRP 3 CO -0.04 0.10 0.78 0.95 0.02 0.00 0.00 176.95 178.75 2r1h s THR 4 N -1.02 4.78 0.24 2.01 -4.23 -1.26 -4.95 115.64 111.21 2r1h s THR 4 Ca 0.43 0.62 -0.06 0.00 -1.18 0.00 0.00 61.69 61.51 2r1h s THR 4 Cb -0.28 -3.74 0.22 0.00 1.34 0.00 0.00 72.50 70.05 2r1h s THR 4 CO 0.35 -0.54 1.69 0.44 -0.54 0.00 0.00 174.62 176.01 2r1h h ASP 5 N 1.19 0.02 -0.37 3.99 3.32 -1.99 -0.31 116.42 122.28 2r1h h ASP 5 Ca -0.47 0.14 0.06 0.00 0.02 0.00 0.00 57.03 56.78 2r1h h ASP 5 Cb 1.19 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.88 2r1h h ASP 5 CO 0.64 -0.03 0.07 0.00 -1.72 0.00 0.00 179.24 178.20 2r1h h ALA 6 N 1.59 0.39 -0.24 3.45 0.00 -1.99 -0.18 119.26 122.29 2r1h h ALA 6 Ca 0.40 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2r1h h ALA 6 Cb 0.68 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2r1h h ALA 6 CO -0.49 -0.33 0.15 0.93 0.00 0.00 0.00 179.25 179.51 2r1h h GLU 7 N 0.19 0.31 -0.21 0.00 5.08 -1.76 0.01 114.58 118.21 2r1h h GLU 7 Ca 0.18 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2r1h h GLU 7 Cb 0.21 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2r1h h GLU 7 CO -0.23 0.20 -0.05 -0.09 -1.00 0.00 0.00 179.01 177.84 2r1h h ARG 8 N 0.32 0.01 -0.64 2.33 2.43 -0.74 -0.53 114.38 117.56 2r1h h ARG 8 Ca 0.09 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2r1h h ARG 8 Cb -0.03 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 2r1h h ARG 8 CO -0.02 0.00 0.34 1.03 -1.51 0.00 0.00 179.97 179.81 2r1h h SER 9 N 0.01 0.81 -0.65 -3.80 0.87 -0.88 -1.69 113.55 108.22 2r1h h SER 9 Ca 0.10 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2r1h h SER 9 Cb 0.15 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 2r1h h SER 9 CO -0.21 0.68 0.32 0.00 -0.53 0.00 0.00 176.83 177.10 2r1h h ALA 10 N 1.16 0.83 -0.06 6.23 0.00 -0.54 0.25 119.26 127.14 2r1h h ALA 10 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2r1h h ALA 10 Cb 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2r1h h ALA 10 CO -0.03 0.38 -0.04 0.82 0.00 0.00 0.00 179.25 180.38 2r1h h ILE 11 N 0.89 1.35 -0.16 0.00 2.04 -0.89 0.16 117.51 120.90 2r1h h ILE 11 Ca 0.22 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2r1h h ILE 11 Cb 0.10 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2r1h h ILE 11 CO -0.03 0.30 0.10 0.58 0.00 0.00 0.00 178.15 179.10 2r1h h VAL 12 N -0.29 1.06 -0.47 1.67 2.07 -1.28 -0.51 116.25 118.50 2r1h h VAL 12 Ca 0.01 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2r1h h VAL 12 Cb 0.51 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2r1h h VAL 12 CO 0.01 0.06 0.24 1.23 0.02 0.00 0.00 177.57 179.12 2r1h h GLY 13 N 0.20 0.65 0.98 2.17 0.00 -0.46 -1.79 103.07 104.82 2r1h h GLY 13 Ca 0.06 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 2r1h h GLY 13 CO -0.01 0.11 0.03 -2.00 0.00 0.00 0.00 176.54 174.67 2r1h h LEU 14 N 0.47 0.78 -1.04 3.11 5.85 -0.78 -2.86 115.31 120.84 2r1h h LEU 14 Ca 0.20 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 2r1h h LEU 14 Cb 0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2r1h h LEU 14 CO -0.14 0.88 -0.10 -0.25 -0.34 0.00 0.00 178.44 178.49 2r1h h TRP 15 N 0.66 0.61 -0.27 1.25 2.91 -0.85 -2.11 115.95 118.15 2r1h h TRP 15 Ca 0.13 -0.09 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 2r1h h TRP 15 Cb 0.46 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 2r1h h TRP 15 CO 0.03 0.66 0.15 0.78 -1.03 0.00 0.00 178.44 179.03 2r1h h GLY 16 N 0.94 0.39 1.05 2.65 0.00 -1.14 -3.16 103.07 103.78 2r1h h GLY 16 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2r1h h GLY 16 CO 0.03 0.15 -0.27 0.28 0.00 0.00 0.00 176.54 176.73 2r1h n LYS 17 N -4.47 0.29 -4.45 4.80 5.02 -0.80 -4.87 118.16 113.69 2r1h n LYS 17 Ca 0.01 -0.13 -0.31 0.00 -2.02 0.00 0.00 58.31 55.86 2r1h n LYS 17 Cb 0.09 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.50 2r1h n LYS 17 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2r1h s ILE 18 N -2.80 3.34 -0.35 -0.18 -4.36 -1.19 -5.08 121.20 110.58 2r1h s ILE 18 Ca 0.18 -1.02 -0.20 0.00 -0.26 0.00 0.00 60.65 59.34 2r1h s ILE 18 Cb 0.19 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.43 2r1h s ILE 18 CO 0.59 0.30 0.62 -0.55 0.24 0.00 0.00 174.94 176.13 2r1h s SER 19 N -1.65 6.41 0.44 4.36 0.15 -1.26 -4.95 113.70 117.20 2r1h s SER 19 Ca 0.18 0.12 0.12 0.00 0.70 0.00 0.00 55.95 57.07 2r1h s SER 19 Cb -0.11 -2.32 0.96 0.00 -1.71 0.00 0.00 66.02 62.84 2r1h s SER 19 CO 0.09 -0.57 2.00 0.58 1.20 0.00 0.00 173.24 176.53 2r1h h VAL 20 N 5.66 1.12 0.00 4.45 2.07 -1.97 -1.96 116.25 125.62 2r1h h VAL 20 Ca -0.27 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2r1h h VAL 20 Cb 1.11 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2r1h h VAL 20 CO 0.82 0.17 0.00 0.44 0.02 0.00 0.00 177.57 179.02 2r1h h ASP 21 N 0.12 0.00 0.00 0.57 5.19 -1.92 -2.14 116.42 118.25 2r1h h ASP 21 Ca 0.03 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 56.03 2r1h h ASP 21 Cb 0.26 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.71 2r1h h ASP 21 CO 0.01 0.00 -2.24 1.21 -3.12 0.00 0.00 179.24 175.10 2r1h n GLU 22 N -2.88 0.60 -0.09 3.56 2.13 -0.97 -4.60 120.64 118.38 2r1h n GLU 22 Ca 0.00 0.32 -0.07 0.00 0.66 0.00 0.00 57.16 58.08 2r1h n GLU 22 Cb 0.25 -1.56 0.11 0.00 0.27 0.00 0.00 31.44 30.51 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 -0.87 1.26 0.32 6.31 1.08 -1.40 -3.16 117.51 121.04 2r1h h ILE 23 Ca -0.61 -1.24 0.00 0.00 -0.39 0.00 0.00 64.86 62.62 2r1h h ILE 23 Cb 1.59 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 36.42 2r1h h ILE 23 CO -0.33 0.42 -0.37 1.23 -0.69 0.00 0.00 178.15 178.41 2r1h h GLY 24 N 0.97 -0.84 0.92 5.37 0.00 -1.60 -1.08 103.07 106.82 2r1h h GLY 24 Ca 0.11 0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.92 2r1h h GLY 24 CO 0.05 -0.30 0.59 -2.55 0.00 0.00 0.00 176.54 174.33 2r1h h PRO 25 N -0.73 1.05 -0.46 4.80 0.11 -1.75 -2.26 132.00 132.76 2r1h h PRO 25 Ca -0.02 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 2r1h h PRO 25 Cb 0.67 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 2r1h h PRO 25 CO -0.09 0.70 0.16 1.96 -0.21 0.00 0.00 178.00 180.52 2r1h h GLN 26 N 1.08 0.71 -0.62 1.05 4.20 -1.46 -2.24 115.11 117.84 2r1h h GLN 26 Ca 0.37 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 2r1h h GLN 26 Cb 0.11 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2r1h h GLN 26 CO -0.13 0.67 0.10 0.00 -0.67 0.00 0.00 178.83 178.80 2r1h h ALA 27 N 1.01 0.82 -0.13 3.87 0.00 -0.90 -1.31 119.26 122.64 2r1h h ALA 27 Ca 0.15 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2r1h h ALA 27 Cb 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2r1h h ALA 27 CO -0.01 0.58 -0.39 1.25 0.00 0.00 0.00 179.25 180.69 2r1h h LEU 28 N 0.93 0.56 -0.55 0.00 5.85 -1.38 -1.52 115.31 119.20 2r1h h LEU 28 Ca 0.19 -0.60 0.09 0.00 0.84 0.00 0.00 57.88 58.40 2r1h h LEU 28 Cb 0.43 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 2r1h h LEU 28 CO 0.01 1.06 0.14 0.00 -0.34 0.00 0.00 178.44 179.32 2r1h h ALA 29 N 0.51 0.65 -0.64 1.25 0.00 -1.38 -0.52 119.26 119.13 2r1h h ALA 29 Ca -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2r1h h ALA 29 Cb 1.01 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2r1h h ALA 29 CO 0.08 -0.27 0.29 -0.09 0.00 0.00 0.00 179.25 179.26 2r1h h ARG 30 N 0.29 0.94 0.04 0.00 2.43 -1.12 -2.62 114.38 114.34 2r1h h ARG 30 Ca 0.28 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2r1h h ARG 30 Cb 0.37 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2r1h h ARG 30 CO -0.33 0.76 -0.18 1.25 -1.51 0.00 0.00 179.97 179.97 2r1h h LEU 31 N 0.89 -0.50 -2.74 3.80 5.85 -0.41 0.22 115.31 122.42 2r1h h LEU 31 Ca 0.22 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 2r1h h LEU 31 Cb 0.15 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 2r1h h LEU 31 CO -0.02 -0.24 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.76 2r1h h LEU 32 N -0.31 0.00 0.04 2.25 4.07 -0.84 0.64 115.31 121.16 2r1h h LEU 32 Ca 0.04 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.65 2r1h h LEU 32 Cb 0.36 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 2r1h h LEU 32 CO -0.14 0.01 -2.02 -0.38 -1.08 0.00 0.00 178.44 174.83 2r1h n ILE 33 N -3.32 1.60 0.09 1.22 5.41 -0.96 -3.55 119.36 119.85 2r1h n ILE 33 Ca -0.03 -0.40 -0.14 0.00 1.00 0.00 0.00 62.75 63.18 2r1h n ILE 33 Cb 0.09 -1.79 -0.11 0.00 -0.71 0.00 0.00 39.64 37.12 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 1.52 -2.18 1.39 2.07 -0.76 -3.36 116.25 114.45 2r1h h VAL 34 Ca -0.50 -3.01 -0.60 0.00 0.82 0.00 0.00 66.70 63.42 2r1h h VAL 34 Cb 1.71 2.83 -0.42 0.00 -1.52 0.00 0.00 31.29 33.90 2r1h h VAL 34 CO -0.15 0.88 -0.61 -1.20 0.02 0.00 0.00 177.57 176.51 2r1h n SER 35 N -3.54 3.63 0.04 0.57 7.64 0.22 -4.99 113.62 117.20 2r1h n SER 35 Ca -0.07 -3.42 0.09 0.00 1.01 0.00 0.00 58.87 56.49 2r1h n SER 35 Cb 0.97 -0.67 0.39 0.00 -1.01 0.00 0.00 64.21 63.89 2r1h n SER 35 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2r1h n PRO 36 N 0.86 0.07 0.28 1.43 -0.04 -1.23 -1.43 135.00 134.94 2r1h n PRO 36 Ca 0.30 0.28 0.19 0.00 -0.04 0.00 0.00 63.50 64.23 2r1h n PRO 36 Cb 0.41 -1.63 1.01 0.00 -0.04 0.00 0.00 33.50 33.25 2r1h n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2r1h h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.91 -1.78 115.95 112.88 2r1h h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2r1h h TRP 37 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.56 2r1h h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 2r1h h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.58 -2.68 112.91 110.12 2r1h h THR 38 Ca 0.00 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2r1h h THR 38 Cb 0.05 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2r1h h THR 38 CO 0.00 0.00 -0.01 1.56 -0.25 0.00 0.00 175.52 176.82 2r1h h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.53 -2.66 115.11 119.83 2r1h h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2r1h h GLN 39 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2r1h h GLN 39 CO 0.00 0.01 0.08 0.07 -0.67 0.00 0.00 178.83 178.31 2r1h h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.68 -1.28 114.38 112.99 2r1h h ARG 40 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2r1h h ARG 40 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2r1h h ARG 40 CO 0.00 0.00 -0.77 0.72 0.10 0.00 0.00 179.97 180.02 2r1h n HIS 41 N -3.02 0.00 -1.06 4.08 8.25 -1.00 -4.52 115.22 117.94 2r1h n HIS 41 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.52 2r1h n HIS 41 Cb 0.14 -0.02 0.13 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.95 0.00 0.30 4.41 3.72 -0.49 -4.74 117.46 119.71 2r1h n PHE 42 Ca 0.06 -0.93 0.18 0.00 -0.05 0.00 0.00 57.45 56.71 2r1h n PHE 42 Cb 0.38 -0.14 0.95 0.00 -0.94 0.00 0.00 39.48 39.73 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 1.18 4.37 4.64 -1.78 -1.15 113.55 120.82 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 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2r1h h SER 43 CO 0.00 0.03 -0.02 0.35 -0.87 0.00 0.00 176.83 176.33 2r1h n THR 44 N -3.35 0.24 1.68 2.95 -2.24 -1.26 -4.18 114.28 108.12 2r1h n THR 44 Ca -0.02 -0.12 0.05 0.00 -2.27 0.00 0.00 64.05 61.69 2r1h n THR 44 Cb 0.16 -0.52 0.23 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.81 0.12 0.00 4.78 3.01 -0.43 -5.00 117.46 118.12 2r1h n PHE 45 Ca 0.06 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2r1h n PHE 45 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.77 0.34 3.65 1.37 0.00 -1.26 -4.57 105.19 105.48 2r1h n GLY 46 Ca 0.08 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 2r1h n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2r1h s ASN 47 N -4.00 6.22 0.00 1.61 2.47 -1.26 -4.93 114.94 115.05 2r1h s ASN 47 Ca 0.00 0.24 0.00 0.00 0.42 0.00 0.00 52.86 53.52 2r1h s ASN 47 Cb 0.00 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.64 2r1h s ASN 47 CO 0.00 -0.03 0.84 0.18 -3.72 0.00 0.00 177.10 174.36 2r1h n LEU 48 N 4.61 0.00 0.08 3.21 4.77 -1.26 -4.23 117.00 124.18 2r1h n LEU 48 Ca -0.12 -0.70 -0.12 0.00 -0.03 0.00 0.00 56.01 55.05 2r1h n LEU 48 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 2r1h n LEU 48 CO 0.37 0.19 0.76 0.77 -1.33 0.00 0.00 177.39 178.15 2r1h h SER 49 N 0.00 -0.43 -1.78 -1.43 4.64 -1.93 -3.45 113.55 109.17 2r1h h SER 49 Ca 0.00 0.05 -0.59 0.00 -0.47 0.00 0.00 61.79 60.78 2r1h h SER 49 Cb 1.27 0.17 -0.11 0.00 -0.31 0.00 0.00 62.40 63.42 2r1h h SER 49 CO 0.00 -0.22 -0.58 0.42 -0.87 0.00 0.00 176.83 175.58 2r1h s THR 50 N -6.13 2.39 0.24 2.95 -4.23 -1.26 -5.03 115.64 104.57 2r1h s THR 50 Ca -0.15 -1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 58.39 2r1h s THR 50 Cb 0.08 -2.89 0.20 0.00 1.34 0.00 0.00 72.50 71.23 2r1h s THR 50 CO 0.66 -0.10 1.82 -0.65 -0.54 0.00 0.00 174.62 175.81 2r1h h PRO 51 N 1.71 0.81 -0.08 3.99 0.11 -2.00 -2.37 132.00 134.17 2r1h h PRO 51 Ca -0.43 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.67 2r1h h PRO 51 Cb 1.25 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.11 2r1h h PRO 51 CO 0.71 0.54 -0.43 0.00 -0.21 0.00 0.00 178.00 178.60 2r1h h ALA 52 N 1.42 -0.65 -0.91 -0.75 0.00 -1.97 -2.17 119.26 114.23 2r1h h ALA 52 Ca 0.37 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.43 2r1h h ALA 52 Cb 0.26 0.79 -0.17 0.00 0.00 0.00 0.00 17.79 18.67 2r1h h ALA 52 CO -0.21 -0.95 -0.27 0.00 0.00 0.00 0.00 179.25 177.82 2r1h h ALA 53 N 0.02 0.49 -0.12 0.00 0.00 -1.77 -2.86 119.26 115.02 2r1h h ALA 53 Ca 0.06 0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 2r1h h ALA 53 Cb 0.64 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2r1h h ALA 53 CO -0.37 -0.45 0.06 0.82 0.00 0.00 0.00 179.25 179.31 2r1h h ILE 54 N -0.01 1.10 0.00 0.00 2.04 -1.05 -3.20 117.51 116.39 2r1h h ILE 54 Ca 0.41 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 2r1h h ILE 54 Cb 0.65 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2r1h h ILE 54 CO -0.94 0.09 -0.18 0.24 0.00 0.00 0.00 178.15 177.36 2r1h h MET 55 N 0.08 0.00 -0.29 2.37 2.86 -1.23 -1.53 114.93 117.19 2r1h h MET 55 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2r1h h MET 55 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2r1h h MET 55 CO -0.01 0.18 0.00 0.41 1.06 0.00 0.00 176.91 178.56 2r1h n GLY 56 N -0.97 1.36 3.62 8.32 0.00 -1.25 -4.95 105.19 111.33 2r1h n GLY 56 Ca -0.02 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.59 6.18 0.42 1.61 3.84 -0.58 -4.89 114.94 119.93 2r1h s ASN 57 Ca 0.36 1.71 0.28 0.00 0.21 0.00 0.00 52.86 55.42 2r1h s ASN 57 Cb 0.22 -2.53 0.97 0.00 -0.55 0.00 0.00 41.25 39.36 2r1h s ASN 57 CO 0.31 -1.41 1.81 1.55 -2.79 0.00 0.00 177.10 176.57 2r1h h PRO 58 N 11.67 0.00 0.17 0.43 0.13 -1.91 0.14 132.00 142.62 2r1h h PRO 58 Ca -0.36 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 2r1h h PRO 58 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2r1h h PRO 58 CO 0.99 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.68 2r1h h ALA 59 N 2.12 -0.22 -0.89 -0.56 0.00 -1.90 0.10 119.26 117.90 2r1h h ALA 59 Ca 0.00 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.82 2r1h h ALA 59 Cb 0.63 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 2r1h h ALA 59 CO 0.00 -0.34 0.50 0.28 0.00 0.00 0.00 179.25 179.69 2r1h h VAL 60 N -0.80 0.80 0.13 0.00 2.07 -1.77 -0.86 116.25 115.82 2r1h h VAL 60 Ca -0.02 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2r1h h VAL 60 Cb 0.53 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2r1h h VAL 60 CO 0.04 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 177.70 2r1h h ALA 61 N 1.54 -0.18 -0.61 1.67 0.00 -0.73 -0.51 119.26 120.45 2r1h h ALA 61 Ca 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2r1h h ALA 61 Cb 0.60 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2r1h h ALA 61 CO -0.32 -0.55 0.31 -0.22 0.00 0.00 0.00 179.25 178.46 2r1h h LYS 62 N -0.27 0.86 0.00 0.00 3.64 -0.01 0.24 116.57 121.02 2r1h h LYS 62 Ca -0.02 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 2r1h h LYS 62 Cb 0.22 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2r1h h LYS 62 CO 0.03 0.68 -0.40 1.25 -2.27 0.00 0.00 179.45 178.73 2r1h h HIS 63 N 0.83 0.00 0.12 1.91 2.76 -1.21 -0.52 115.15 119.03 2r1h h HIS 63 Ca 0.21 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2r1h h HIS 63 Cb 0.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2r1h h HIS 63 CO -0.00 0.40 -0.06 0.78 -1.30 0.00 0.00 177.93 177.75 2r1h h GLY 64 N 1.52 -0.17 1.95 5.26 0.00 -0.34 0.46 103.07 111.75 2r1h h GLY 64 Ca -0.00 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 2r1h h GLY 64 CO 0.05 -0.06 0.02 0.50 0.00 0.00 0.00 176.54 177.05 2r1h h LYS 65 N -0.21 0.07 -0.69 4.80 1.57 -0.74 -2.35 116.57 119.01 2r1h h LYS 65 Ca -0.02 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2r1h h LYS 65 Cb 0.17 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2r1h h LYS 65 CO 0.03 0.06 0.30 1.15 -0.57 0.00 0.00 179.45 180.42 2r1h h THR 66 N 0.07 1.24 -0.34 -0.16 2.02 -0.08 -2.85 112.91 112.82 2r1h h THR 66 Ca 0.02 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 2r1h h THR 66 Cb 0.02 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2r1h h THR 66 CO -0.00 0.29 0.21 0.58 0.37 0.00 0.00 175.52 176.97 2r1h h VAL 67 N 0.98 1.11 -0.32 3.16 2.07 -0.41 -2.01 116.25 120.83 2r1h h VAL 67 Ca 0.23 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 2r1h h VAL 67 Cb 0.18 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2r1h h VAL 67 CO -0.02 0.11 -0.33 0.24 0.02 0.00 0.00 177.57 177.59 2r1h h MET 68 N 0.44 0.70 0.00 1.57 2.07 -1.47 -0.39 114.93 117.84 2r1h h MET 68 Ca 0.12 -0.32 -0.05 0.00 -2.07 0.00 0.00 59.70 57.38 2r1h h MET 68 Cb -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 2r1h h MET 68 CO -0.02 0.93 -0.23 0.45 1.07 0.00 0.00 176.91 179.10 2r1h h HIS 69 N 0.59 0.00 -0.64 -0.22 3.86 -1.42 -0.75 115.15 116.57 2r1h h HIS 69 Ca 0.06 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 2r1h h HIS 69 Cb 0.84 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.27 2r1h h HIS 69 CO 0.04 0.23 0.42 0.78 0.86 0.00 0.00 177.93 180.26 2r1h h GLY 70 N 0.98 0.77 2.00 2.45 0.00 -0.30 -1.83 103.07 107.15 2r1h h GLY 70 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2r1h h GLY 70 CO 0.03 0.17 0.00 1.41 0.00 0.00 0.00 176.54 178.15 2r1h h LEU 71 N 0.59 0.00 -1.00 3.11 3.38 -0.90 -3.31 115.31 117.18 2r1h h LEU 71 Ca 0.28 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.49 2r1h h LEU 71 Cb 0.34 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2r1h h LEU 71 CO -0.09 0.00 0.58 0.44 0.09 0.00 0.00 178.44 179.47 2r1h h ASP 72 N 0.00 0.67 1.43 -0.43 3.32 -1.08 -1.32 116.42 119.01 2r1h h ASP 72 Ca 0.00 0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 2r1h h ASP 72 Cb 0.86 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 2r1h h ASP 72 CO 0.00 0.11 -0.50 0.08 -1.72 0.00 0.00 179.24 177.21 2r1h h ARG 73 N 0.59 0.00 -0.35 3.56 0.11 -1.71 -1.69 114.38 114.89 2r1h h ARG 73 Ca 0.63 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.66 2r1h h ARG 73 Cb 1.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2r1h h ARG 73 CO -0.47 0.50 -0.00 0.00 0.10 0.00 0.00 179.97 180.10 2r1h h ALA 74 N 1.50 0.47 -0.18 0.08 0.00 -1.45 -2.67 119.26 117.01 2r1h h ALA 74 Ca -0.01 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2r1h h ALA 74 Cb 1.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2r1h h ALA 74 CO 0.07 0.23 -0.49 0.28 0.00 0.00 0.00 179.25 179.35 2r1h h VAL 75 N 0.43 1.32 -0.83 0.00 2.07 -1.33 -1.97 116.25 115.94 2r1h h VAL 75 Ca 0.10 -1.70 0.13 0.00 0.82 0.00 0.00 66.70 66.04 2r1h h VAL 75 Cb 0.46 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 2r1h h VAL 75 CO 0.02 0.52 0.54 1.56 0.02 0.00 0.00 177.57 180.23 2r1h h GLN 76 N 0.37 0.63 -2.03 1.57 4.20 -1.29 -3.36 115.11 115.20 2r1h h GLN 76 Ca 0.02 -0.04 -0.45 0.00 0.06 0.00 0.00 58.65 58.24 2r1h h GLN 76 Cb 0.99 -0.14 -0.32 0.00 0.30 0.00 0.00 27.48 28.30 2r1h h GLN 76 CO 0.09 0.41 -0.80 1.21 -0.67 0.00 0.00 178.83 179.08 2r1h s ASN 77 N -5.90 1.00 0.42 1.46 3.84 -0.77 -4.97 114.94 110.02 2r1h s ASN 77 Ca -0.09 -2.31 0.29 0.00 0.21 0.00 0.00 52.86 50.95 2r1h s ASN 77 Cb 0.21 0.27 1.46 0.00 -0.55 0.00 0.00 41.25 42.64 2r1h s ASN 77 CO 0.78 -0.19 1.88 -0.07 -2.79 0.00 0.00 177.10 176.71 2r1h h LEU 78 N 6.08 0.00 -1.56 3.21 3.38 -1.64 -2.30 115.31 122.48 2r1h h LEU 78 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2r1h h LEU 78 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2r1h h LEU 78 CO 0.24 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.24 2r1h n ASP 79 N -2.56 2.43 -1.44 -0.43 10.43 -1.26 -4.32 116.55 119.39 2r1h n ASP 79 Ca -0.01 -1.81 0.04 0.00 2.57 0.00 0.00 54.79 55.58 2r1h n ASP 79 Cb 0.12 -0.01 0.05 0.00 1.84 0.00 0.00 41.12 43.12 2r1h n ASP 79 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2r1h n ASP 80 N 0.90 1.15 -0.27 -2.24 2.03 -0.87 -4.91 116.55 112.34 2r1h n ASP 80 Ca 0.16 -2.27 -0.05 0.00 0.52 0.00 0.00 54.79 53.15 2r1h n ASP 80 Cb 0.50 -0.34 0.06 0.00 -0.72 0.00 0.00 41.12 40.63 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 6.11 1.21 -0.63 5.18 2.04 -1.75 -2.46 117.51 127.22 2r1h h ILE 81 Ca -0.19 -0.46 0.12 0.00 1.00 0.00 0.00 64.86 65.33 2r1h h ILE 81 Cb 1.75 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.91 2r1h h ILE 81 CO 0.10 0.22 0.14 0.11 0.00 0.00 0.00 178.15 178.71 2r1h h LYS 82 N 1.02 0.26 0.00 2.37 1.57 -1.91 -1.79 116.57 118.09 2r1h h LYS 82 Ca 0.27 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2r1h h LYS 82 Cb -0.04 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2r1h h LYS 82 CO -0.05 0.17 -0.16 -0.91 -0.57 0.00 0.00 179.45 177.92 2r1h h ASN 83 N 0.26 0.00 -0.09 0.86 -0.26 -1.90 -3.28 115.58 111.17 2r1h h ASN 83 Ca 0.33 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.99 2r1h h ASN 83 Cb 0.51 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.75 2r1h h ASN 83 CO -0.42 0.16 -0.20 0.74 -1.06 0.00 0.00 177.43 176.65 2r1h h THR 84 N 0.00 1.25 -0.59 2.81 2.02 -0.86 -3.28 112.91 114.26 2r1h h THR 84 Ca -0.00 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.00 2r1h h THR 84 Cb 1.01 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2r1h h THR 84 CO 0.02 0.38 0.00 -1.22 0.37 0.00 0.00 175.52 175.07 2r1h n TYR 85 N -4.15 0.94 0.02 3.16 4.02 -1.18 -4.59 117.16 115.38 2r1h n TYR 85 Ca -0.00 -0.54 -0.10 0.00 -0.01 0.00 0.00 57.90 57.25 2r1h n TYR 85 Cb 0.38 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 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 3.51 0.54 0.32 -0.72 2.07 -1.68 0.33 116.25 120.63 2r1h h VAL 86 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2r1h h VAL 86 Cb 1.04 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2r1h h VAL 86 CO 0.06 0.00 -0.20 0.74 0.02 0.00 0.00 177.57 178.19 2r1h h THR 87 N -0.25 0.58 -0.97 2.57 2.02 -1.87 -2.02 112.91 112.97 2r1h h THR 87 Ca 0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 2r1h h THR 87 Cb 0.37 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 2r1h h THR 87 CO -0.24 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.22 2r1h h LEU 88 N -0.51 1.02 0.01 2.58 3.38 -1.83 -1.61 115.31 118.36 2r1h h LEU 88 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2r1h h LEU 88 Cb 0.42 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2r1h h LEU 88 CO 0.03 0.67 -0.00 -1.28 0.09 0.00 0.00 178.44 177.95 2r1h h SER 89 N 1.17 -0.01 0.31 -0.43 0.87 -0.16 -0.55 113.55 114.74 2r1h h SER 89 Ca 0.41 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.84 2r1h h SER 89 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2r1h h SER 89 CO -0.15 0.06 -0.28 -0.37 -0.53 0.00 0.00 176.83 175.57 2r1h h VAL 90 N -0.09 1.15 -0.04 2.23 -1.51 -0.94 -1.82 116.25 115.24 2r1h h VAL 90 Ca -0.00 -0.97 -0.01 0.00 -1.23 0.00 0.00 66.70 64.49 2r1h h VAL 90 Cb 0.08 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2r1h h VAL 90 CO 0.00 0.27 -0.00 -0.03 -1.23 0.00 0.00 177.57 176.58 2r1h h MET 91 N 0.00 0.07 0.00 5.19 -1.53 -0.87 0.78 114.93 118.57 2r1h h MET 91 Ca -0.00 -0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.21 2r1h h MET 91 Cb 0.51 -0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.55 2r1h h MET 91 CO 0.04 0.37 -0.12 0.45 0.14 0.00 0.00 176.91 177.79 2r1h h HIS 92 N -0.25 0.00 0.00 1.39 3.86 -0.89 -0.89 115.15 118.38 2r1h h HIS 92 Ca 0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 2r1h h HIS 92 Cb 0.34 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2r1h h HIS 92 CO 0.04 0.12 -0.26 1.03 0.86 0.00 0.00 177.93 179.72 2r1h h SER 93 N 0.00 0.00 0.24 2.45 0.87 -1.06 0.24 113.55 116.29 2r1h h SER 93 Ca -0.00 -0.63 -0.19 0.00 -1.23 0.00 0.00 61.79 59.73 2r1h h SER 93 Cb 0.22 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 2r1h h SER 93 CO 0.02 0.96 -1.94 -0.62 -0.53 0.00 0.00 176.83 174.72 2r1h n GLU 94 N -4.62 0.66 -0.13 2.24 1.02 0.25 -3.00 120.64 117.06 2r1h n GLU 94 Ca -0.12 0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.77 2r1h n GLU 94 Cb 0.40 -1.62 -0.11 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.65 0.60 0.03 3.49 4.81 -0.46 -4.68 118.16 119.29 2r1h n LYS 95 Ca -0.16 0.30 0.10 0.00 -0.87 0.00 0.00 58.31 57.68 2r1h n LYS 95 Cb 0.88 -1.54 -0.11 0.00 0.02 0.00 0.00 35.03 34.27 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 -4.11 0.30 -3.71 3.14 4.77 -0.50 -5.00 117.00 111.89 2r1h n LEU 96 Ca -0.49 0.12 -0.23 0.00 -0.03 0.00 0.00 56.01 55.38 2r1h n LEU 96 Cb 0.88 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 42.00 2r1h n LEU 96 CO 0.10 -0.05 -0.00 0.49 -1.33 0.00 0.00 177.39 176.60 2r1h n PHE 97 N -2.42 -2.06 -2.98 -1.77 3.01 -0.23 -4.96 117.46 106.04 2r1h n PHE 97 Ca -0.04 0.87 -0.41 0.00 1.01 0.00 0.00 57.45 58.89 2r1h n PHE 97 Cb 0.58 -4.41 -0.05 0.00 -0.01 0.00 0.00 39.48 35.59 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 -3.56 4.94 -0.09 -4.37 1.01 0.67 -5.01 120.40 114.00 2r1h s VAL 98 Ca 0.15 1.44 -0.30 0.00 0.00 0.00 0.00 61.98 63.28 2r1h s VAL 98 Cb -0.07 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 2r1h s VAL 98 CO 0.80 0.05 2.07 -0.67 0.00 0.00 0.00 175.10 177.36 2r1h n ASP 99 N 5.21 3.68 0.13 3.32 -0.08 -1.26 -4.69 116.55 122.86 2r1h n ASP 99 Ca 0.02 0.62 0.09 0.00 -1.51 0.00 0.00 54.79 54.02 2r1h n ASP 99 Cb 0.49 -1.51 0.49 0.00 2.34 0.00 0.00 41.12 42.92 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 7.94 0.12 0.27 -0.67 -0.04 -1.26 -0.49 135.00 140.87 2r1h n PRO 100 Ca 0.25 0.59 0.11 0.00 -0.04 0.00 0.00 63.50 64.41 2r1h n PRO 100 Cb 0.40 -1.87 0.73 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.42 3.54 3.58 -2.00 -1.65 116.42 120.31 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 0.04 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 2r1h h ASP 101 CO 0.00 0.05 -0.02 0.78 -2.88 0.00 0.00 179.24 177.18 2r1h h ASN 102 N 0.00 0.00 -0.36 2.28 2.35 -1.16 -2.57 115.58 116.11 2r1h h ASN 102 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2r1h h ASN 102 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2r1h h ASN 102 CO 0.01 0.02 0.04 -0.26 -1.65 0.00 0.00 177.43 175.59 2r1h h PHE 103 N 0.00 0.66 -0.22 1.19 0.04 -1.46 0.33 116.94 117.47 2r1h h PHE 103 Ca -0.00 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.71 2r1h h PHE 103 Cb 0.23 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 2r1h h PHE 103 CO 0.00 0.68 0.02 -0.09 -0.60 0.00 0.00 178.31 178.32 2r1h h ARG 104 N 0.45 0.10 -0.78 1.51 2.43 -1.56 -0.12 114.38 116.41 2r1h h ARG 104 Ca 0.11 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2r1h h ARG 104 Cb 0.39 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 2r1h h ARG 104 CO 0.01 0.06 0.35 -0.07 -1.51 0.00 0.00 179.97 178.81 2r1h h LEU 105 N 0.10 1.03 -0.31 3.80 3.38 -1.39 0.08 115.31 122.00 2r1h h LEU 105 Ca 0.10 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2r1h h LEU 105 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2r1h h LEU 105 CO -0.16 0.89 0.04 0.25 0.09 0.00 0.00 178.44 179.55 2r1h h LEU 106 N 1.12 0.49 -0.53 1.67 5.85 -0.74 -1.71 115.31 121.46 2r1h h LEU 106 Ca 0.27 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2r1h h LEU 106 Cb 0.15 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 2r1h h LEU 106 CO -0.03 0.64 0.11 0.00 -0.34 0.00 0.00 178.44 178.82 2r1h h ALA 107 N 0.88 0.61 -0.99 1.25 0.00 -0.48 0.64 119.26 121.16 2r1h h ALA 107 Ca 0.09 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2r1h h ALA 107 Cb 0.36 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2r1h h ALA 107 CO 0.01 -0.30 0.65 -0.44 0.00 0.00 0.00 179.25 179.17 2r1h h ASP 108 N 0.25 1.10 -0.56 0.00 3.32 -0.82 -0.81 116.42 118.91 2r1h h ASP 108 Ca 0.27 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 2r1h h ASP 108 Cb 0.37 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2r1h h ASP 108 CO -0.34 0.78 0.11 0.00 -1.72 0.00 0.00 179.24 178.07 2r1h h ILE 110 N 0.81 0.77 -0.49 0.00 2.04 -0.47 -0.75 117.51 119.42 2r1h h ILE 110 Ca 0.17 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.11 2r1h h ILE 110 Cb 0.38 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 2r1h h ILE 110 CO 0.01 0.01 0.04 0.74 0.00 0.00 0.00 178.15 178.94 2r1h h THR 111 N 0.04 0.66 -0.55 -0.27 2.02 -0.89 -0.03 112.91 113.89 2r1h h THR 111 Ca 0.13 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.27 2r1h h THR 111 Cb 0.18 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2r1h h THR 111 CO -0.24 0.03 0.34 0.58 0.37 0.00 0.00 175.52 176.59 2r1h h VAL 112 N 0.16 1.08 -0.57 3.16 2.07 -1.00 -0.87 116.25 120.28 2r1h h VAL 112 Ca 0.25 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 2r1h h VAL 112 Cb 0.36 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2r1h h VAL 112 CO -0.38 0.12 0.16 0.00 0.02 0.00 0.00 177.57 177.50 2r1h h VAL 114 N 0.80 1.26 -0.35 0.00 2.07 -0.80 -0.88 116.25 118.36 2r1h h VAL 114 Ca 0.18 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 2r1h h VAL 114 Cb 0.31 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2r1h h VAL 114 CO -0.00 0.38 0.21 0.00 0.02 0.00 0.00 177.57 178.18 2r1h h ALA 115 N 0.93 0.45 -0.62 1.67 0.00 -1.10 -0.27 119.26 120.33 2r1h h ALA 115 Ca 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2r1h h ALA 115 Cb 0.52 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2r1h h ALA 115 CO 0.03 -0.05 0.11 0.00 0.00 0.00 0.00 179.25 179.34 2r1h h ALA 116 N 1.09 1.04 0.05 0.00 0.00 -1.20 0.11 119.26 120.35 2r1h h ALA 116 Ca 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2r1h h ALA 116 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2r1h h ALA 116 CO -0.02 0.62 -0.03 -0.22 0.00 0.00 0.00 179.25 179.60 2r1h h LYS 117 N 0.94 -0.07 0.00 0.00 1.63 -0.78 -3.36 116.57 114.93 2r1h h LYS 117 Ca 0.19 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.91 2r1h h LYS 117 Cb 0.39 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 2r1h h LYS 117 CO 0.01 0.21 -1.35 1.28 -3.45 0.00 0.00 179.45 176.15 2r1h n LEU 118 N -4.99 0.73 0.00 5.20 4.77 -0.14 -5.10 117.00 117.47 2r1h n LEU 118 Ca -0.08 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2r1h n LEU 118 Cb 0.17 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2r1h n LEU 118 CO 0.33 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2r1h n GLY 119 N 1.31 -1.47 0.26 -0.72 0.00 0.37 -4.35 105.19 100.59 2r1h n GLY 119 Ca -0.06 -1.57 0.15 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 0.00 0.00 1.61 0.13 -1.81 -0.99 132.00 130.94 2r1h h PRO 120 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2r1h h PRO 120 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2r1h h PRO 120 CO 0.00 0.06 -0.16 0.00 -0.23 0.00 0.00 178.00 177.68 2r1h h ALA 121 N 1.94 0.02 -0.09 -0.56 0.00 -1.97 -3.26 119.26 115.33 2r1h h ALA 121 Ca -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2r1h h ALA 121 Cb 0.59 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2r1h h ALA 121 CO 0.01 0.11 0.04 0.28 0.00 0.00 0.00 179.25 179.68 2r1h h VAL 122 N -1.00 1.14 -1.94 0.00 2.07 -1.76 -3.17 116.25 111.59 2r1h h VAL 122 Ca -0.03 -0.41 -0.78 0.00 0.82 0.00 0.00 66.70 66.30 2r1h h VAL 122 Cb 0.56 1.24 -0.20 0.00 -1.52 0.00 0.00 31.29 31.37 2r1h h VAL 122 CO -0.02 0.12 1.58 0.33 0.02 0.00 0.00 177.57 179.60 2r1h n PHE 123 N -4.93 2.63 -1.28 1.57 7.35 -0.38 -4.87 117.46 117.55 2r1h n PHE 123 Ca -0.06 -2.70 -0.29 0.00 -0.76 0.00 0.00 57.45 53.64 2r1h n PHE 123 Cb 0.11 -1.65 0.20 0.00 0.35 0.00 0.00 39.48 38.49 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 -0.27 2.10 0.20 -2.13 1.04 -1.20 -4.59 113.70 108.85 2r1h s SER 124 Ca 0.38 0.81 -0.09 0.00 0.48 0.00 0.00 55.95 57.53 2r1h s SER 124 Cb 0.09 -1.22 0.12 0.00 0.10 0.00 0.00 66.02 65.12 2r1h s SER 124 CO 0.02 -3.41 1.73 0.00 0.98 0.00 0.00 173.24 172.56 2r1h h ALA 125 N -2.09 0.94 -0.32 5.32 0.00 -1.91 0.91 119.26 122.10 2r1h h ALA 125 Ca -0.49 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 2r1h h ALA 125 Cb 1.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2r1h h ALA 125 CO 0.47 0.63 -0.33 -0.44 0.00 0.00 0.00 179.25 179.58 2r1h h ASP 126 N 1.06 0.75 -0.41 0.00 3.32 -1.98 -0.07 116.42 119.09 2r1h h ASP 126 Ca 0.23 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2r1h h ASP 126 Cb 0.33 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2r1h h ASP 126 CO -0.00 1.02 0.11 0.74 -1.72 0.00 0.00 179.24 179.38 2r1h h THR 127 N 0.60 1.23 -0.27 0.35 2.02 -1.77 -2.47 112.91 112.60 2r1h h THR 127 Ca 0.06 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 2r1h h THR 127 Cb 0.85 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2r1h h THR 127 CO 0.07 0.27 -0.00 -0.61 0.37 0.00 0.00 175.52 175.62 2r1h h GLN 128 N 0.53 0.40 -0.04 6.66 4.15 -0.63 -0.53 115.11 125.65 2r1h h GLN 128 Ca 0.13 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 2r1h h GLN 128 Cb 0.29 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 2r1h h GLN 128 CO -0.00 0.43 0.01 1.49 -1.93 0.00 0.00 178.83 178.83 2r1h h GLU 129 N 0.39 0.06 -0.13 1.69 4.22 -0.62 0.15 114.58 120.33 2r1h h GLU 129 Ca 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.52 2r1h h GLU 129 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2r1h h GLU 129 CO 0.01 0.21 0.08 0.00 -2.18 0.00 0.00 179.01 177.13 2r1h h ALA 130 N 0.85 0.16 -0.63 2.92 0.00 -1.23 -2.27 119.26 119.06 2r1h h ALA 130 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2r1h h ALA 130 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2r1h h ALA 130 CO -0.00 -0.34 0.38 0.35 0.00 0.00 0.00 179.25 179.64 2r1h h PHE 131 N 0.17 0.82 -0.42 0.00 3.57 -0.97 -1.23 116.94 118.89 2r1h h PHE 131 Ca 0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2r1h h PHE 131 Cb -0.01 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 2r1h h PHE 131 CO -0.07 0.55 0.19 0.37 -2.23 0.00 0.00 178.31 177.13 2r1h h GLN 132 N 0.85 0.61 -0.56 1.11 5.75 -0.68 0.86 115.11 123.04 2r1h h GLN 132 Ca 0.23 -0.09 0.07 0.00 -0.15 0.00 0.00 58.65 58.71 2r1h h GLN 132 Cb -0.03 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.35 2r1h h GLN 132 CO -0.04 0.54 0.23 -0.22 -2.65 0.00 0.00 178.83 176.68 2r1h h LYS 133 N 0.53 0.42 0.07 1.69 3.64 -1.20 0.61 116.57 122.33 2r1h h LYS 133 Ca 0.14 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2r1h h LYS 133 Cb 0.14 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2r1h h LYS 133 CO -0.02 0.28 -0.16 0.35 -2.27 0.00 0.00 179.45 177.63 2r1h h PHE 134 N 0.43 -0.42 -0.62 1.91 3.57 -0.92 -1.69 116.94 119.20 2r1h h PHE 134 Ca 0.27 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 2r1h h PHE 134 Cb 0.28 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2r1h h PHE 134 CO -0.15 -0.24 0.38 -0.07 -2.23 0.00 0.00 178.31 176.01 2r1h h LEU 135 N -0.30 0.73 -0.67 0.59 3.38 -0.32 -1.77 115.31 116.94 2r1h h LEU 135 Ca 0.03 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2r1h h LEU 135 Cb 0.33 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2r1h h LEU 135 CO -0.11 0.56 0.40 0.00 0.09 0.00 0.00 178.44 179.38 2r1h h ALA 136 N 1.20 0.90 -0.44 1.53 0.00 -0.75 0.13 119.26 121.83 2r1h h ALA 136 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2r1h h ALA 136 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2r1h h ALA 136 CO -0.04 0.11 0.24 0.28 0.00 0.00 0.00 179.25 179.84 2r1h h VAL 137 N 0.75 1.16 -0.64 0.00 2.07 -0.98 -0.97 116.25 117.64 2r1h h VAL 137 Ca 0.29 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 2r1h h VAL 137 Cb 0.12 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2r1h h VAL 137 CO -0.15 0.16 0.21 0.58 0.02 0.00 0.00 177.57 178.39 2r1h h VAL 138 N 0.57 1.25 -0.46 2.57 2.07 -0.92 -0.27 116.25 121.05 2r1h h VAL 138 Ca 0.15 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2r1h h VAL 138 Cb 0.04 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2r1h h VAL 138 CO -0.03 0.32 0.24 0.58 0.02 0.00 0.00 177.57 178.70 2r1h h VAL 139 N 0.92 1.18 -0.22 2.57 2.07 -0.63 -0.03 116.25 122.11 2r1h h VAL 139 Ca 0.21 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2r1h h VAL 139 Cb 0.28 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2r1h h VAL 139 CO -0.01 0.19 0.14 -1.28 0.02 0.00 0.00 177.57 176.63 2r1h h SER 140 N 0.60 0.23 -0.82 0.57 0.87 -0.96 -1.99 113.55 112.05 2r1h h SER 140 Ca 0.16 -0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.78 2r1h h SER 140 Cb 0.09 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 61.93 2r1h h SER 140 CO -0.02 0.17 0.49 0.00 -0.53 0.00 0.00 176.83 176.94 2r1h h ALA 141 N 1.09 1.13 0.00 6.23 0.00 -0.71 -1.87 119.26 125.12 2r1h h ALA 141 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2r1h h ALA 141 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2r1h h ALA 141 CO -0.03 0.21 -0.28 -0.07 0.00 0.00 0.00 179.25 179.08 2r1h h LEU 142 N 0.89 0.00 -0.66 0.00 3.38 -0.61 -2.43 115.31 115.89 2r1h h LEU 142 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2r1h h LEU 142 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2r1h h LEU 142 CO -0.19 0.28 -0.18 0.61 0.09 0.00 0.00 178.44 179.06 2r1h n GLY 143 N -0.18 -0.40 0.22 0.83 0.00 -0.79 -4.36 105.19 100.51 2r1h n GLY 143 Ca -0.01 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 1.60 0.09 -0.71 1.61 2.43 -0.84 -3.04 114.38 115.53 2r1h h ARG 144 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2r1h h ARG 144 Cb 0.51 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2r1h h ARG 144 CO 0.00 0.33 0.00 1.04 -1.51 0.00 0.00 179.97 179.83 2r1h n GLN 145 N -4.22 3.06 -2.39 0.20 1.13 -1.26 -4.88 117.38 109.02 2r1h n GLN 145 Ca -0.02 -2.70 -0.43 0.00 -1.94 0.00 0.00 57.00 51.91 2r1h n GLN 145 Cb 0.32 -1.69 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 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 -1.33 2.78 0.00 1.08 2.02 -1.15 -4.72 117.35 116.03 2r1h s TYR 146 Ca 0.49 0.94 0.00 0.00 -0.37 0.00 0.00 57.07 58.14 2r1h s TYR 146 Cb 0.28 -3.54 0.00 0.00 -0.40 0.00 0.00 41.96 38.30 2r1h s TYR 146 CO 0.30 -1.86 0.17 0.72 -1.57 0.00 0.00 175.55 173.31