#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1h s LEU 2 N 0.00 4.45 0.85 1.04 1.43 -1.26 -5.05 118.68 120.14 2r1h s LEU 2 Ca 0.00 1.57 -0.13 0.00 -1.03 0.00 0.00 54.13 54.54 2r1h s LEU 2 Cb 0.00 -3.38 0.11 0.00 0.03 0.00 0.00 46.19 42.96 2r1h s LEU 2 CO 0.00 -0.05 1.22 -0.94 0.23 0.00 0.00 176.35 176.81 2r1h s SER 3 N 0.12 4.12 0.26 2.29 1.04 -1.26 -4.89 113.70 115.38 2r1h s SER 3 Ca 0.43 0.65 -0.01 0.00 0.48 0.00 0.00 55.95 57.50 2r1h s SER 3 Cb -0.21 -1.03 0.50 0.00 0.10 0.00 0.00 66.02 65.39 2r1h s SER 3 CO 0.25 -2.14 1.80 0.00 0.98 0.00 0.00 173.24 174.13 2r1h h ALA 4 N -1.22 1.32 -0.12 5.32 0.00 -2.00 -2.40 119.26 120.16 2r1h h ALA 4 Ca -0.46 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 2r1h h ALA 4 Cb 1.31 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2r1h h ALA 4 CO 0.59 0.05 -0.68 -0.22 0.00 0.00 0.00 179.25 178.99 2r1h h LYS 5 N 0.78 0.51 -0.37 0.00 3.64 -1.99 -1.90 116.57 117.24 2r1h h LYS 5 Ca 0.46 -0.39 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2r1h h LYS 5 Cb 0.53 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 2r1h h LYS 5 CO -0.30 1.01 0.14 -0.44 -2.27 0.00 0.00 179.45 177.59 2r1h h ASP 6 N 0.37 0.16 -0.22 4.20 3.32 -1.87 0.32 116.42 122.69 2r1h h ASP 6 Ca -0.02 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.10 2r1h h ASP 6 Cb 1.25 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 2r1h h ASP 6 CO 0.12 0.13 0.03 0.11 -1.72 0.00 0.00 179.24 177.91 2r1h h LYS 7 N 0.30 0.11 -0.89 3.56 1.57 -1.29 -1.12 116.57 118.81 2r1h h LYS 7 Ca 0.17 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 2r1h h LYS 7 Cb 0.13 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 2r1h h LYS 7 CO -0.16 0.07 0.58 0.00 -0.57 0.00 0.00 179.45 179.38 2r1h h ALA 8 N 1.17 1.43 -0.33 3.86 0.00 -1.04 -1.55 119.26 122.80 2r1h h ALA 8 Ca 0.10 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2r1h h ALA 8 Cb 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2r1h h ALA 8 CO -0.15 0.49 -0.21 -0.91 0.00 0.00 0.00 179.25 178.47 2r1h h ASN 9 N 1.12 0.76 -0.08 0.00 2.35 -0.54 -1.60 115.58 117.60 2r1h h ASN 9 Ca 0.35 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2r1h h ASN 9 Cb -0.00 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 2r1h h ASN 9 CO -0.10 1.03 0.03 0.58 -1.65 0.00 0.00 177.43 177.32 2r1h h VAL 10 N 0.50 1.14 -0.96 2.81 2.07 -1.10 -1.69 116.25 119.02 2r1h h VAL 10 Ca 0.07 -0.41 0.08 0.00 0.82 0.00 0.00 66.70 67.26 2r1h h VAL 10 Cb 0.76 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 2r1h h VAL 10 CO 0.06 0.12 0.61 0.11 0.02 0.00 0.00 177.57 178.49 2r1h h LYS 11 N -0.03 1.04 0.15 1.57 1.57 -1.21 -0.49 116.57 119.17 2r1h h LYS 11 Ca 0.03 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2r1h h LYS 11 Cb 0.16 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2r1h h LYS 11 CO -0.00 0.69 -0.07 0.00 -0.57 0.00 0.00 179.45 179.50 2r1h h ALA 12 N 1.46 -0.20 -0.27 3.86 0.00 -1.13 -2.81 119.26 120.17 2r1h h ALA 12 Ca 0.43 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2r1h h ALA 12 Cb 0.25 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2r1h h ALA 12 CO -0.20 -0.42 -0.07 0.97 0.00 0.00 0.00 179.25 179.54 2r1h h ILE 13 N -0.60 1.20 0.00 0.00 6.09 -1.20 -2.17 117.51 120.83 2r1h h ILE 13 Ca -0.02 -0.84 -0.00 0.00 -1.37 0.00 0.00 64.86 62.63 2r1h h ILE 13 Cb 0.45 1.07 -0.00 0.00 0.47 0.00 0.00 36.82 38.81 2r1h h ILE 13 CO 0.03 0.28 -0.02 -0.50 -3.07 0.00 0.00 178.15 174.87 2r1h h TRP 14 N 0.41 0.00 -0.35 2.19 6.55 -0.99 -1.15 115.95 122.62 2r1h h TRP 14 Ca 0.09 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.90 2r1h h TRP 14 Cb 0.38 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.66 2r1h h TRP 14 CO 0.01 0.02 0.09 0.78 -1.05 0.00 0.00 178.44 178.29 2r1h h GLY 15 N 0.18 0.55 1.21 1.49 0.00 -1.12 -0.11 103.07 105.26 2r1h h GLY 15 Ca -0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 47.33 46.79 2r1h h GLY 15 CO 0.00 0.26 -1.02 0.50 0.00 0.00 0.00 176.54 176.28 2r1h h LYS 16 N 0.50 0.71 -0.34 4.80 1.79 -1.32 -3.36 116.57 119.35 2r1h h LYS 16 Ca 0.12 -0.75 -0.13 0.00 -2.18 0.00 0.00 60.65 57.71 2r1h h LYS 16 Cb 0.18 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 2r1h h LYS 16 CO -0.01 1.32 -0.30 0.82 -1.08 0.00 0.00 179.45 180.21 2r1h h ILE 17 N 0.41 1.28 -0.78 1.86 2.04 -0.91 -3.35 117.51 118.07 2r1h h ILE 17 Ca -0.12 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.31 2r1h h ILE 17 Cb 1.68 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 39.06 2r1h h ILE 17 CO 0.20 0.47 0.51 -0.07 0.00 0.00 0.00 178.15 179.27 2r1h h LEU 18 N 0.62 0.89 -2.58 1.44 3.38 -1.18 -0.10 115.31 117.78 2r1h h LEU 18 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2r1h h LEU 18 Cb 0.82 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2r1h h LEU 18 CO 0.07 0.65 0.00 -0.65 0.09 0.00 0.00 178.44 178.60 2r1h h PRO 19 N 1.05 0.00 -0.17 1.13 0.11 -1.80 -1.83 132.00 130.49 2r1h h PRO 19 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2r1h h PRO 19 Cb -0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.99 2r1h h PRO 19 CO -0.06 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.36 2r1h n LYS 20 N -2.91 2.43 -0.17 1.05 5.02 -0.15 -4.86 118.16 118.58 2r1h n LYS 20 Ca -0.02 -2.57 -0.01 0.00 -2.02 0.00 0.00 58.31 53.69 2r1h n LYS 20 Cb 0.08 -1.61 0.08 0.00 -0.02 0.00 0.00 35.03 33.56 2r1h n LYS 20 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2r1h h SER 21 N 1.15 -0.09 -0.26 4.39 0.87 -0.40 0.33 113.55 119.54 2r1h h SER 21 Ca 0.00 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2r1h h SER 21 Cb 1.15 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 2r1h h SER 21 CO 0.11 -0.02 0.13 0.44 -0.53 0.00 0.00 176.83 176.96 2r1h h ASP 22 N 0.19 0.34 -0.49 6.23 5.19 -1.89 -0.56 116.42 125.44 2r1h h ASP 22 Ca 0.27 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 2r1h h ASP 22 Cb 0.40 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 2r1h h ASP 22 CO -0.39 0.37 0.23 -0.08 -3.12 0.00 0.00 179.24 176.26 2r1h h GLU 23 N 0.29 0.70 -0.93 3.56 4.81 -1.84 -2.11 114.58 119.07 2r1h h GLU 23 Ca 0.09 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2r1h h GLU 23 Cb 0.12 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2r1h h GLU 23 CO -0.01 0.59 0.61 0.82 -0.73 0.00 0.00 179.01 180.29 2r1h h ILE 24 N 0.64 1.22 -0.25 2.32 2.04 -0.76 -1.00 117.51 121.73 2r1h h ILE 24 Ca 0.17 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2r1h h ILE 24 Cb 0.12 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 2r1h h ILE 24 CO -0.02 0.23 0.09 1.23 0.00 0.00 0.00 178.15 179.68 2r1h h GLY 25 N 1.24 0.40 0.88 5.37 0.00 -0.86 -0.03 103.07 110.07 2r1h h GLY 25 Ca 0.35 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.47 2r1h h GLY 25 CO -0.08 0.21 0.24 -2.09 0.00 0.00 0.00 176.54 174.82 2r1h h GLU 26 N 0.24 0.47 -0.68 4.80 4.22 -1.13 -0.75 114.58 121.75 2r1h h GLU 26 Ca 0.08 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 2r1h h GLU 26 Cb 0.20 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2r1h h GLU 26 CO -0.01 0.31 0.42 1.96 -2.18 0.00 0.00 179.01 179.52 2r1h h GLN 27 N 0.49 0.92 -0.18 1.92 1.08 -1.02 0.32 115.11 118.63 2r1h h GLN 27 Ca 0.17 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 2r1h h GLN 27 Cb 0.03 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.26 2r1h h GLN 27 CO -0.09 0.64 -0.14 0.00 -0.95 0.00 0.00 178.83 178.30 2r1h h ALA 28 N 1.22 0.26 -0.49 3.87 0.00 -0.63 -1.85 119.26 121.65 2r1h h ALA 28 Ca 0.25 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2r1h h ALA 28 Cb -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2r1h h ALA 28 CO -0.05 0.13 0.15 1.25 0.00 0.00 0.00 179.25 180.73 2r1h h LEU 29 N 0.08 0.71 -0.84 0.00 5.85 -1.12 -1.38 115.31 118.61 2r1h h LEU 29 Ca 0.03 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.56 2r1h h LEU 29 Cb 0.65 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2r1h h LEU 29 CO 0.04 0.73 0.55 0.28 -0.34 0.00 0.00 178.44 179.70 2r1h h SER 30 N 0.65 0.95 -0.03 1.25 0.02 -0.83 -1.55 113.55 114.02 2r1h h SER 30 Ca 0.16 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 2r1h h SER 30 Cb 0.28 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2r1h h SER 30 CO -0.00 0.68 -0.71 0.03 -1.14 0.00 0.00 176.83 175.69 2r1h h ARG 31 N 1.12 0.67 -0.14 3.45 3.08 -1.17 -1.27 114.38 120.12 2r1h h ARG 31 Ca 0.31 -0.51 0.05 0.00 0.07 0.00 0.00 59.98 59.90 2r1h h ARG 31 Cb -0.10 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 2r1h h ARG 31 CO -0.08 1.13 -0.20 1.98 -1.07 0.00 0.00 179.97 181.74 2r1h h MET 32 N 0.47 -0.23 -0.56 0.04 4.05 -0.94 0.18 114.93 117.94 2r1h h MET 32 Ca -0.03 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2r1h h MET 32 Cb 1.31 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 32.13 2r1h h MET 32 CO 0.14 -0.16 0.35 -0.07 0.23 0.00 0.00 176.91 177.40 2r1h h LEU 33 N -0.24 0.66 0.05 3.39 3.38 -1.16 -0.15 115.31 121.24 2r1h h LEU 33 Ca 0.10 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2r1h h LEU 33 Cb 0.39 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.98 2r1h h LEU 33 CO -0.28 0.51 -0.32 0.58 0.09 0.00 0.00 178.44 179.01 2r1h h VAL 34 N 0.75 1.68 0.00 1.22 2.07 -1.10 -3.19 116.25 117.67 2r1h h VAL 34 Ca 0.20 -2.41 -0.17 0.00 0.82 0.00 0.00 66.70 65.14 2r1h h VAL 34 Cb -0.04 3.30 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 2r1h h VAL 34 CO -0.04 0.64 -0.79 0.58 0.02 0.00 0.00 177.57 177.98 2r1h h VAL 35 N -0.77 1.50 -2.18 2.57 2.07 -0.72 -3.36 116.25 115.35 2r1h h VAL 35 Ca -0.06 -2.77 -0.59 0.00 0.82 0.00 0.00 66.70 64.10 2r1h h VAL 35 Cb 1.24 2.52 -0.41 0.00 -1.52 0.00 0.00 31.29 33.12 2r1h h VAL 35 CO 0.05 0.78 -0.74 -1.22 0.02 0.00 0.00 177.57 176.46 2r1h n TYR 36 N -3.50 2.45 0.27 1.57 4.01 -0.07 -4.96 117.16 116.94 2r1h n TYR 36 Ca -0.00 -3.99 0.11 0.00 -0.16 0.00 0.00 57.90 53.86 2r1h n TYR 36 Cb 0.79 -0.49 0.50 0.00 -0.31 0.00 0.00 39.34 39.83 2r1h n TYR 36 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2r1h n PRO 37 N 1.08 0.15 -0.35 -0.72 -0.04 -1.21 -1.00 135.00 132.91 2r1h n PRO 37 Ca 0.27 0.52 0.26 0.00 -0.04 0.00 0.00 63.50 64.51 2r1h n PRO 37 Cb 0.44 -1.88 0.51 0.00 -0.04 0.00 0.00 33.50 32.54 2r1h n PRO 37 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2r1h h GLN 38 N 0.00 0.29 0.00 0.54 3.07 -1.90 -1.27 115.11 115.85 2r1h h GLN 38 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2r1h h GLN 38 Cb 0.17 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.66 2r1h h GLN 38 CO 0.00 0.20 0.00 1.79 0.09 0.00 0.00 178.83 180.91 2r1h h THR 39 N 0.30 0.00 0.00 1.86 1.35 -1.36 -3.01 112.91 112.05 2r1h h THR 39 Ca 0.72 -0.59 -0.00 0.00 -0.55 0.00 0.00 66.41 65.99 2r1h h THR 39 Cb 1.80 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 69.78 2r1h h THR 39 CO -0.51 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 174.85 2r1h h LYS 40 N 0.00 0.00 -0.44 4.72 1.57 -1.41 -2.78 116.57 118.23 2r1h h LYS 40 Ca 0.00 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 2r1h h LYS 40 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2r1h h LYS 40 CO 0.00 0.02 0.57 0.00 -0.57 0.00 0.00 179.45 179.48 2r1h h ALA 41 N 1.98 2.13 -0.01 3.86 0.00 -1.69 -1.10 119.26 124.42 2r1h h ALA 41 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2r1h h ALA 41 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2r1h h ALA 41 CO 0.00 -0.80 -0.33 0.66 0.00 0.00 0.00 179.25 178.78 2r1h n TYR 42 N -3.46 0.00 -1.55 0.00 4.01 -1.05 -4.42 117.16 110.69 2r1h n TYR 42 Ca 0.08 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.88 2r1h n TYR 42 Cb 0.75 -0.05 0.10 0.00 -0.31 0.00 0.00 39.34 39.83 2r1h n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2r1h n PHE 43 N -0.16 0.00 0.41 -0.72 3.72 -0.42 -4.72 117.46 115.56 2r1h n PHE 43 Ca 0.11 -0.75 0.12 0.00 -0.05 0.00 0.00 57.45 56.88 2r1h n PHE 43 Cb 0.42 -0.14 0.48 0.00 -0.94 0.00 0.00 39.48 39.30 2r1h n PHE 43 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2r1h n SER 44 N -0.80 0.63 0.05 4.37 3.41 -1.21 -2.46 113.62 117.60 2r1h n SER 44 Ca 0.11 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 2r1h n SER 44 Cb 0.71 -0.79 0.47 0.00 -0.26 0.00 0.00 64.21 64.35 2r1h n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r1h n HIS 45 N -2.19 0.43 -2.28 7.33 1.44 -1.26 -4.85 115.22 113.83 2r1h n HIS 45 Ca 0.02 0.12 -0.32 0.00 -2.01 0.00 0.00 57.72 55.53 2r1h n HIS 45 Cb 0.23 -0.68 -0.02 0.00 0.12 0.00 0.00 29.99 29.64 2r1h n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2r1h s TRP 46 N -3.05 3.25 0.30 -1.40 0.51 -1.03 -4.95 118.94 112.56 2r1h s TRP 46 Ca 0.12 1.49 0.31 0.00 -2.12 0.00 0.00 56.10 55.90 2r1h s TRP 46 Cb 0.16 -2.89 1.44 0.00 -0.81 0.00 0.00 33.47 31.36 2r1h s TRP 46 CO 0.59 -0.67 2.03 0.00 -0.51 0.00 0.00 176.95 178.39 2r1h h ALA 47 N 0.80 1.10 -2.01 0.98 0.00 -1.89 -3.44 119.26 114.81 2r1h h ALA 47 Ca -0.47 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 2r1h h ALA 47 Cb 1.20 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 2r1h h ALA 47 CO 0.60 0.12 0.17 0.45 0.00 0.00 0.00 179.25 180.58 2r1h s SER 48 N -5.90 -0.68 -0.14 0.00 0.15 -1.26 -5.01 113.70 100.87 2r1h s SER 48 Ca -0.01 0.91 0.18 0.00 0.70 0.00 0.00 55.95 57.72 2r1h s SER 48 Cb 0.11 0.79 0.35 0.00 -1.71 0.00 0.00 66.02 65.56 2r1h s SER 48 CO 0.56 -0.51 1.23 1.33 1.20 0.00 0.00 173.24 177.05 2r1h n VAL 49 N 1.41 1.96 -2.37 4.45 0.24 -1.26 -4.56 118.33 118.19 2r1h n VAL 49 Ca -0.18 -2.09 -0.40 0.00 -2.04 0.00 0.00 64.34 59.63 2r1h n VAL 49 Cb 0.56 -0.21 -0.04 0.00 -1.47 0.00 0.00 33.84 32.69 2r1h n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r1h s ALA 50 N -2.77 3.42 0.22 2.33 0.00 -1.26 -4.84 121.76 118.86 2r1h s ALA 50 Ca 0.34 1.00 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 2r1h s ALA 50 Cb 0.29 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.89 2r1h s ALA 50 CO 0.05 -0.30 1.24 -2.30 0.00 0.00 0.00 175.76 174.45 2r1h n PRO 51 N 1.04 1.55 -0.67 0.00 -0.02 -1.26 -1.30 135.00 134.35 2r1h n PRO 51 Ca -0.01 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2r1h n PRO 51 Cb 0.44 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2r1h n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r1h n GLY 52 N 1.94 0.89 3.69 -1.23 0.00 -1.26 -5.00 105.19 104.22 2r1h n GLY 52 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2r1h n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r1h s SER 53 N -2.77 3.21 0.17 1.61 1.04 -0.42 -4.70 113.70 111.85 2r1h s SER 53 Ca 0.00 2.04 -0.15 0.00 0.48 0.00 0.00 55.95 58.32 2r1h s SER 53 Cb 0.00 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.73 2r1h s SER 53 CO 0.00 -2.89 1.68 0.00 0.98 0.00 0.00 173.24 173.01 2r1h h ALA 54 N -1.73 0.38 -0.54 5.32 0.00 -1.94 0.15 119.26 120.90 2r1h h ALA 54 Ca -0.44 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2r1h h ALA 54 Cb 1.26 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2r1h h ALA 54 CO 0.45 -0.41 0.15 -1.35 0.00 0.00 0.00 179.25 178.09 2r1h h PRO 55 N 0.08 0.82 -0.22 0.00 0.11 -1.93 -1.61 132.00 129.25 2r1h h PRO 55 Ca 0.21 -0.16 -0.12 0.00 0.11 0.00 0.00 66.00 66.05 2r1h h PRO 55 Cb 0.32 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 2r1h h PRO 55 CO -0.38 0.72 -0.35 0.28 -0.21 0.00 0.00 178.00 178.06 2r1h h VAL 56 N 0.79 1.32 -0.34 3.15 2.07 -1.64 -0.69 116.25 120.92 2r1h h VAL 56 Ca 0.18 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 66.15 2r1h h VAL 56 Cb 0.26 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2r1h h VAL 56 CO -0.00 0.49 0.20 0.11 0.02 0.00 0.00 177.57 178.38 2r1h h LYS 57 N 0.31 0.40 -0.10 1.57 1.57 -0.63 0.20 116.57 119.89 2r1h h LYS 57 Ca 0.02 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2r1h h LYS 57 Cb 0.94 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2r1h h LYS 57 CO 0.08 0.26 0.05 -0.22 -0.57 0.00 0.00 179.45 179.06 2r1h h LYS 58 N 0.41 0.14 -0.01 3.15 3.64 -1.23 -2.41 116.57 120.25 2r1h h LYS 58 Ca 0.13 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.32 2r1h h LYS 58 Cb -0.01 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2r1h h LYS 58 CO -0.06 0.16 -0.78 1.25 -2.27 0.00 0.00 179.45 177.76 2r1h h HIS 59 N 0.07 0.22 -0.77 1.91 2.76 -1.02 -2.26 115.15 116.07 2r1h h HIS 59 Ca 0.03 -0.11 0.16 0.00 -2.20 0.00 0.00 60.37 58.25 2r1h h HIS 59 Cb 0.07 -0.03 -0.10 0.00 1.55 0.00 0.00 27.41 28.89 2r1h h HIS 59 CO -0.05 0.87 0.27 0.78 -1.30 0.00 0.00 177.93 178.50 2r1h h GLY 60 N 1.87 1.15 0.93 5.26 0.00 -0.44 -0.02 103.07 111.83 2r1h h GLY 60 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2r1h h GLY 60 CO 0.12 -0.16 0.15 -2.22 0.00 0.00 0.00 176.54 174.42 2r1h h ILE 61 N 0.37 1.16 -0.45 2.60 2.04 -1.22 -1.43 117.51 120.59 2r1h h ILE 61 Ca 0.43 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.87 2r1h h ILE 61 Cb 0.71 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 2r1h h ILE 61 CO -0.46 0.17 0.18 0.74 0.00 0.00 0.00 178.15 178.78 2r1h h THR 62 N 0.38 0.88 0.76 -0.27 2.02 -0.76 0.38 112.91 116.31 2r1h h THR 62 Ca 0.11 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2r1h h THR 62 Cb 0.14 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2r1h h THR 62 CO -0.01 0.07 -0.37 0.40 0.37 0.00 0.00 175.52 175.98 2r1h h ILE 63 N 0.36 0.19 -0.89 3.11 2.04 -0.94 -2.88 117.51 118.50 2r1h h ILE 63 Ca 0.21 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 2r1h h ILE 63 Cb 0.18 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 2r1h h ILE 63 CO -0.20 0.01 0.55 0.24 0.00 0.00 0.00 178.15 178.75 2r1h h MET 64 N -1.11 1.21 -0.90 2.37 2.86 -1.15 -0.72 114.93 117.48 2r1h h MET 64 Ca -0.10 -0.10 0.13 0.00 -2.06 0.00 0.00 59.70 57.56 2r1h h MET 64 Cb 0.80 -0.26 -0.09 0.00 0.06 0.00 0.00 31.60 32.12 2r1h h MET 64 CO 0.17 0.84 0.52 -0.91 1.06 0.00 0.00 176.91 178.58 2r1h h ASN 65 N 1.23 0.70 -0.21 1.22 2.35 -0.25 0.37 115.58 120.99 2r1h h ASN 65 Ca 0.32 0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 56.07 2r1h h ASN 65 Cb -0.07 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 2r1h h ASN 65 CO -0.06 0.34 -0.14 -0.61 -1.65 0.00 0.00 177.43 175.31 2r1h h GLN 66 N 0.78 0.46 -0.68 0.81 5.75 -1.10 -1.02 115.11 120.12 2r1h h GLN 66 Ca 0.47 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.71 2r1h h GLN 66 Cb 0.56 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 2r1h h GLN 66 CO -0.31 0.77 0.29 0.82 -2.65 0.00 0.00 178.83 177.75 2r1h h ILE 67 N 0.15 1.24 -0.69 2.39 2.04 -0.61 -0.35 117.51 121.68 2r1h h ILE 67 Ca 0.04 -0.72 0.12 0.00 1.00 0.00 0.00 64.86 65.30 2r1h h ILE 67 Cb 0.66 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 37.10 2r1h h ILE 67 CO 0.04 0.29 0.27 0.44 0.00 0.00 0.00 178.15 179.19 2r1h h ASP 68 N 0.96 0.27 -0.58 1.72 3.32 -0.09 -1.81 116.42 120.21 2r1h h ASP 68 Ca 0.23 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.28 2r1h h ASP 68 Cb 0.18 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2r1h h ASP 68 CO -0.02 0.13 0.01 -0.78 -1.72 0.00 0.00 179.24 176.86 2r1h h ASP 69 N 0.44 0.99 -0.92 6.45 1.82 -0.57 -2.92 116.42 121.72 2r1h h ASP 69 Ca 0.37 -0.30 0.13 0.00 -0.39 0.00 0.00 57.03 56.83 2r1h h ASP 69 Cb 0.50 -0.27 -0.07 0.00 0.68 0.00 0.00 39.33 40.17 2r1h h ASP 69 CO -0.36 1.05 0.59 0.00 -1.61 0.00 0.00 179.24 178.91 2r1h h VAL 71 N 0.81 0.87 0.00 0.00 2.07 -1.25 0.49 116.25 119.25 2r1h h VAL 71 Ca 0.45 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.93 2r1h h VAL 71 Cb 0.59 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2r1h h VAL 71 CO -0.22 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.00 2r1h n GLY 72 N -1.57 -1.00 1.48 2.17 0.00 -0.01 -4.05 105.19 102.21 2r1h n GLY 72 Ca 0.06 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.91 2r1h n GLY 72 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2r1h n HIS 73 N -1.00 0.27 0.33 1.61 8.25 0.17 -4.88 115.22 119.97 2r1h n HIS 73 Ca 0.24 -1.00 0.05 0.00 -0.26 0.00 0.00 57.72 56.75 2r1h n HIS 73 Cb 0.11 -0.19 0.24 0.00 1.12 0.00 0.00 29.99 31.27 2r1h n HIS 73 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2r1h n MET 74 N -0.05 0.02 0.08 -0.41 2.81 -1.08 -1.86 117.12 116.63 2r1h n MET 74 Ca 0.11 0.36 -0.00 0.00 -1.81 0.00 0.00 57.70 56.35 2r1h n MET 74 Cb 1.00 -1.55 -0.04 0.00 -0.71 0.00 0.00 33.22 31.91 2r1h n MET 74 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2r1h h ASP 75 N 0.00 0.00 -1.91 7.83 3.45 -1.90 -3.39 116.42 120.51 2r1h h ASP 75 Ca 0.00 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 56.97 2r1h h ASP 75 Cb 0.17 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 38.56 2r1h h ASP 75 CO 0.00 0.62 -1.14 -0.67 -1.57 0.00 0.00 179.24 176.48 2r1h n ASP 76 N -3.10 0.52 -0.22 6.45 4.64 -0.77 -4.96 116.55 119.11 2r1h n ASP 76 Ca -0.04 -2.96 -0.08 0.00 -1.38 0.00 0.00 54.79 50.33 2r1h n ASP 76 Cb 0.82 -0.51 0.03 0.00 -1.04 0.00 0.00 41.12 40.42 2r1h n ASP 76 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2r1h h LEU 77 N 3.25 0.95 0.79 -2.67 3.38 -1.68 -0.92 115.31 118.40 2r1h h LEU 77 Ca 0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2r1h h LEU 77 Cb 0.95 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2r1h h LEU 77 CO 0.48 0.95 -0.38 -0.26 0.09 0.00 0.00 178.44 179.32 2r1h h PHE 78 N 0.90 -0.98 -0.11 1.13 -1.00 -1.91 -0.64 116.94 114.33 2r1h h PHE 78 Ca 0.19 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.99 2r1h h PHE 78 Cb 0.40 0.32 -0.06 0.00 3.61 0.00 0.00 35.95 40.22 2r1h h PHE 78 CO 0.03 -0.60 -0.30 0.78 -1.61 0.00 0.00 178.31 176.61 2r1h h GLY 79 N -1.12 -0.41 -0.34 -1.45 0.00 -1.95 -0.89 103.07 96.91 2r1h h GLY 79 Ca -0.11 0.37 0.29 0.00 0.00 0.00 0.00 47.33 47.88 2r1h h GLY 79 CO 0.18 -0.22 0.63 -2.75 0.00 0.00 0.00 176.54 174.38 2r1h h PHE 80 N -0.39 0.85 -0.50 5.60 3.57 -1.11 -0.49 116.94 124.47 2r1h h PHE 80 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2r1h h PHE 80 Cb 0.53 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2r1h h PHE 80 CO -0.38 -0.03 0.00 1.28 -2.23 0.00 0.00 178.31 176.95 2r1h n LEU 81 N -4.84 2.71 -0.04 0.59 4.77 -0.25 -4.53 117.00 115.42 2r1h n LEU 81 Ca 0.29 -1.35 -0.09 0.00 -0.03 0.00 0.00 56.01 54.83 2r1h n LEU 81 Cb 0.92 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 2r1h n LEU 81 CO 0.17 0.68 0.88 0.74 -1.33 0.00 0.00 177.39 178.53 2r1h h THR 82 N 2.99 0.91 -0.57 -5.08 2.02 -0.36 -0.23 112.91 112.58 2r1h h THR 82 Ca 0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2r1h h THR 82 Cb 0.68 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2r1h h THR 82 CO 0.00 0.02 0.28 0.11 0.37 0.00 0.00 175.52 176.30 2r1h h LYS 83 N 0.10 0.82 -0.07 6.66 1.57 -1.80 -2.75 116.57 121.11 2r1h h LYS 83 Ca 0.09 -0.12 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 2r1h h LYS 83 Cb 0.09 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2r1h h LYS 83 CO -0.12 0.67 -0.77 1.25 -0.57 0.00 0.00 179.45 179.91 2r1h h LEU 84 N 0.78 0.50 0.10 2.94 5.85 -1.78 -0.86 115.31 122.84 2r1h h LEU 84 Ca 0.20 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.58 2r1h h LEU 84 Cb 0.12 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2r1h h LEU 84 CO -0.03 1.10 -0.12 -1.28 -0.34 0.00 0.00 178.44 177.78 2r1h h SER 85 N 0.28 -0.31 -0.93 1.25 0.87 -1.07 -1.44 113.55 112.20 2r1h h SER 85 Ca -0.04 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 2r1h h SER 85 Cb 1.36 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 63.37 2r1h h SER 85 CO 0.13 -0.18 0.60 -0.08 -0.53 0.00 0.00 176.83 176.77 2r1h h GLU 86 N -0.25 1.09 -0.06 2.24 4.57 -1.37 0.44 114.58 121.24 2r1h h GLU 86 Ca 0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2r1h h GLU 86 Cb 0.25 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2r1h h GLU 86 CO -0.04 0.72 0.04 1.25 -1.18 0.00 0.00 179.01 179.80 2r1h h LEU 87 N 1.12 0.08 -0.89 1.64 6.46 -1.05 0.24 115.31 122.90 2r1h h LEU 87 Ca 0.39 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 58.03 2r1h h LEU 87 Cb 0.09 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2r1h h LEU 87 CO -0.15 0.08 -0.15 0.45 -0.62 0.00 0.00 178.44 178.05 2r1h h HIS 88 N 0.07 0.71 0.15 1.25 3.86 -0.98 -1.69 115.15 118.52 2r1h h HIS 88 Ca 0.02 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 2r1h h HIS 88 Cb 0.02 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.30 2r1h h HIS 88 CO -0.07 0.76 -0.07 0.00 0.86 0.00 0.00 177.93 179.42 2r1h h ALA 89 N 1.25 -0.20 0.03 2.45 0.00 -0.65 -0.28 119.26 121.87 2r1h h ALA 89 Ca 0.10 -0.22 -0.36 0.00 0.00 0.00 0.00 54.91 54.43 2r1h h ALA 89 Cb 0.59 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2r1h h ALA 89 CO 0.04 -0.36 -2.01 2.41 0.00 0.00 0.00 179.25 179.32 2r1h n THR 90 N -4.96 1.58 -0.04 0.00 -1.04 0.81 -3.39 114.28 107.24 2r1h n THR 90 Ca -0.09 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.05 61.43 2r1h n THR 90 Cb 0.26 -1.81 -0.11 0.00 -1.82 0.00 0.00 70.33 66.85 2r1h n THR 90 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2r1h h LYS 91 N -0.56 -0.03 0.00 -2.82 3.64 -1.47 -3.39 116.57 111.94 2r1h h LYS 91 Ca -0.51 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.69 2r1h h LYS 91 Cb 1.67 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.47 2r1h h LYS 91 CO -0.18 0.69 -1.54 1.28 -2.27 0.00 0.00 179.45 177.43 2r1h n LEU 92 N -4.73 0.76 -3.71 5.20 4.77 -0.73 -4.98 117.00 113.57 2r1h n LEU 92 Ca -0.09 0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 55.98 2r1h n LEU 92 Cb 0.36 0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2r1h n LEU 92 CO 0.30 0.19 -0.10 0.54 -1.33 0.00 0.00 177.39 176.99 2r1h n ARG 93 N -2.86 -3.05 -3.20 3.23 1.74 -0.21 -4.95 116.66 107.37 2r1h n ARG 93 Ca -0.12 0.54 -0.39 0.00 -0.77 0.00 0.00 57.85 57.11 2r1h n ARG 93 Cb 0.87 -4.73 -0.06 0.00 -1.02 0.00 0.00 32.46 27.52 2r1h n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2r1h s VAL 94 N -3.63 5.08 -0.03 1.55 1.01 -0.65 -5.02 120.40 118.71 2r1h s VAL 94 Ca 0.21 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 2r1h s VAL 94 Cb -0.07 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 2r1h s VAL 94 CO 0.84 0.18 1.93 -0.62 0.00 0.00 0.00 175.10 177.43 2r1h s ASP 95 N 1.08 6.34 0.19 3.32 -1.08 -1.26 -4.81 116.67 120.45 2r1h s ASP 95 Ca 0.27 2.43 0.15 0.00 -0.52 0.00 0.00 52.55 54.88 2r1h s ASP 95 Cb -0.16 -2.53 0.75 0.00 -1.46 0.00 0.00 42.92 39.53 2r1h s ASP 95 CO 0.10 -1.18 1.45 -0.81 0.52 0.00 0.00 175.17 175.26 2r1h n PRO 96 N 7.66 0.09 0.30 4.34 -0.04 -1.26 -1.30 135.00 144.78 2r1h n PRO 96 Ca 0.21 0.53 0.20 0.00 -0.04 0.00 0.00 63.50 64.40 2r1h n PRO 96 Cb 0.42 -1.77 1.01 0.00 -0.04 0.00 0.00 33.50 33.12 2r1h n PRO 96 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2r1h h THR 97 N 0.00 0.00 0.00 0.52 1.35 -2.00 -2.25 112.91 110.53 2r1h h THR 97 Ca 0.00 -0.10 -0.03 0.00 -0.55 0.00 0.00 66.41 65.73 2r1h h THR 97 Cb 0.07 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 2r1h h THR 97 CO 0.00 0.00 -0.15 0.78 -0.25 0.00 0.00 175.52 175.90 2r1h h ASN 98 N 0.00 0.00 -0.88 5.36 2.35 -1.58 -3.26 115.58 117.57 2r1h h ASN 98 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2r1h h ASN 98 Cb 0.10 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 2r1h h ASN 98 CO 0.00 0.15 0.58 -0.26 -1.65 0.00 0.00 177.43 176.25 2r1h h PHE 99 N 0.00 1.08 0.00 1.19 0.04 -1.62 0.12 116.94 117.76 2r1h h PHE 99 Ca -0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 2r1h h PHE 99 Cb 0.80 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 2r1h h PHE 99 CO 0.00 0.65 -0.18 1.57 -0.60 0.00 0.00 178.31 179.75 2r1h h LYS 100 N 1.14 0.00 -0.21 1.51 2.10 -1.76 -2.21 116.57 117.15 2r1h h LYS 100 Ca 0.34 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.96 2r1h h LYS 100 Cb -0.05 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.27 2r1h h LYS 100 CO -0.10 0.18 -0.00 0.82 -2.00 0.00 0.00 179.45 178.35 2r1h h ILE 101 N 0.00 1.26 -0.72 0.07 2.04 -1.13 -1.85 117.51 117.17 2r1h h ILE 101 Ca -0.00 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 64.99 2r1h h ILE 101 Cb 0.52 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 2r1h h ILE 101 CO 0.02 0.27 0.47 0.25 0.00 0.00 0.00 178.15 179.16 2r1h h LEU 102 N 0.14 0.80 -0.48 1.44 5.85 -1.11 -2.54 115.31 119.40 2r1h h LEU 102 Ca 0.06 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.85 2r1h h LEU 102 Cb 0.40 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 2r1h h LEU 102 CO 0.01 0.57 0.05 0.00 -0.34 0.00 0.00 178.44 178.73 2r1h h ALA 103 N 1.28 0.50 -0.09 1.25 0.00 -1.23 -0.20 119.26 120.77 2r1h h ALA 103 Ca 0.27 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 2r1h h ALA 103 Cb -0.06 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2r1h h ALA 103 CO -0.08 -0.35 0.04 1.25 0.00 0.00 0.00 179.25 180.11 2r1h h HIS 104 N 0.17 0.13 -0.80 0.00 -0.00 -1.09 -0.75 115.15 112.81 2r1h h HIS 104 Ca 0.24 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.57 2r1h h HIS 104 Cb 0.35 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.68 2r1h h HIS 104 CO -0.27 0.21 0.37 -0.91 -0.00 0.00 0.00 177.93 177.33 2r1h h ASN 105 N 0.02 1.06 -0.45 3.26 2.35 -1.13 -0.32 115.58 120.37 2r1h h ASN 105 Ca 0.03 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2r1h h ASN 105 Cb 0.13 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2r1h h ASN 105 CO -0.00 0.91 0.29 0.25 -1.65 0.00 0.00 177.43 177.22 2r1h h LEU 106 N 1.15 0.53 -0.26 1.61 5.85 -0.74 -1.54 115.31 121.90 2r1h h LEU 106 Ca 0.27 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.00 2r1h h LEU 106 Cb 0.14 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2r1h h LEU 106 CO -0.03 0.41 -0.00 0.40 -0.34 0.00 0.00 178.44 178.87 2r1h h ILE 107 N 0.61 0.81 -0.61 4.05 2.04 -0.62 0.17 117.51 123.95 2r1h h ILE 107 Ca 0.16 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 66.11 2r1h h ILE 107 Cb -0.04 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 36.69 2r1h h ILE 107 CO -0.03 0.01 0.18 0.58 0.00 0.00 0.00 178.15 178.89 2r1h h VAL 108 N 0.07 0.69 -0.36 1.67 2.07 -0.88 -1.02 116.25 118.50 2r1h h VAL 108 Ca 0.12 -0.11 -0.16 0.00 0.82 0.00 0.00 66.70 67.38 2r1h h VAL 108 Cb 0.16 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2r1h h VAL 108 CO -0.21 0.06 -0.39 0.58 0.02 0.00 0.00 177.57 177.63 2r1h h VAL 109 N 0.32 1.28 -0.62 2.57 2.07 -0.48 -0.76 116.25 120.63 2r1h h VAL 109 Ca 0.32 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 2r1h h VAL 109 Cb 0.44 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2r1h h VAL 109 CO -0.36 0.52 0.37 0.40 0.02 0.00 0.00 177.57 178.51 2r1h h ILE 110 N 0.70 1.18 -0.49 4.57 2.04 -0.34 -0.56 117.51 124.62 2r1h h ILE 110 Ca 0.05 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.55 2r1h h ILE 110 Cb 0.98 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2r1h h ILE 110 CO 0.09 0.19 0.21 0.00 0.00 0.00 0.00 178.15 178.64 2r1h h ALA 111 N 1.19 0.61 -0.34 1.87 0.00 -0.98 0.11 119.26 121.71 2r1h h ALA 111 Ca 0.22 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2r1h h ALA 111 Cb -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2r1h h ALA 111 CO -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 179.25 179.01 2r1h h ALA 112 N 1.30 1.32 0.00 0.00 0.00 -0.27 -2.53 119.26 119.08 2r1h h ALA 112 Ca 0.22 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 2r1h h ALA 112 Cb 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2r1h h ALA 112 CO -0.20 0.46 -1.43 1.88 0.00 0.00 0.00 179.25 179.96 2r1h h TYR 113 N 0.51 0.00 -1.93 0.00 -1.99 -0.84 -3.41 116.97 109.31 2r1h h TYR 113 Ca 0.11 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.34 2r1h h TYR 113 Cb 0.37 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 38.70 2r1h h TYR 113 CO 0.01 0.80 -1.05 1.19 -0.00 0.00 0.00 178.16 179.11 2r1h n PHE 114 N -3.03 1.30 -0.16 4.88 3.01 0.35 -4.96 117.46 118.85 2r1h n PHE 114 Ca -0.11 -3.71 -0.01 0.00 1.01 0.00 0.00 57.45 54.63 2r1h n PHE 114 Cb 0.93 -0.42 0.22 0.00 -0.01 0.00 0.00 39.48 40.21 2r1h n PHE 114 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2r1h h PRO 115 N 2.98 0.89 -0.41 -1.08 0.13 -1.66 0.20 132.00 133.04 2r1h h PRO 115 Ca 0.09 -0.12 -0.10 0.00 -0.87 0.00 0.00 66.00 65.00 2r1h h PRO 115 Cb 0.89 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 2r1h h PRO 115 CO 0.59 0.70 -0.14 0.00 -0.23 0.00 0.00 178.00 178.91 2r1h h ALA 116 N 1.43 0.57 0.00 -0.56 0.00 -1.93 -3.22 119.26 115.54 2r1h h ALA 116 Ca 0.21 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 2r1h h ALA 116 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2r1h h ALA 116 CO -0.03 0.48 -0.82 0.93 0.00 0.00 0.00 179.25 179.82 2r1h h GLU 117 N 0.64 0.00 -3.32 0.00 3.07 -1.86 -3.39 114.58 109.73 2r1h h GLU 117 Ca 0.10 0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 58.23 2r1h h GLU 117 Cb 0.69 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.51 2r1h h GLU 117 CO 0.05 0.82 2.72 0.34 -1.40 0.00 0.00 179.01 181.55 2r1h n PHE 118 N -3.35 2.90 -1.34 4.33 7.35 0.01 -4.83 117.46 122.53 2r1h n PHE 118 Ca 0.00 -2.90 -0.31 0.00 -0.76 0.00 0.00 57.45 53.49 2r1h n PHE 118 Cb 0.85 -2.17 0.09 0.00 0.35 0.00 0.00 39.48 38.61 2r1h n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2r1h s THR 119 N 1.01 3.33 0.34 -2.13 -4.23 -1.26 -4.69 115.64 108.01 2r1h s THR 119 Ca 0.50 0.43 0.12 0.00 -1.18 0.00 0.00 61.69 61.57 2r1h s THR 119 Cb 0.14 -3.00 0.34 0.00 1.34 0.00 0.00 72.50 71.32 2r1h s THR 119 CO -0.05 -0.57 1.75 -0.65 -0.54 0.00 0.00 174.62 174.56 2r1h h PRO 120 N -1.11 0.53 -0.09 3.99 0.11 -1.98 0.17 132.00 133.61 2r1h h PRO 120 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2r1h h PRO 120 Cb 1.24 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2r1h h PRO 120 CO 0.54 0.35 0.01 0.93 -0.21 0.00 0.00 178.00 179.61 2r1h h GLU 121 N 0.55 0.15 -0.20 1.05 3.07 -1.97 0.39 114.58 117.62 2r1h h GLU 121 Ca 0.62 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.46 2r1h h GLU 121 Cb 1.27 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.14 2r1h h GLU 121 CO -0.40 0.39 0.02 0.82 -1.40 0.00 0.00 179.01 178.45 2r1h h ILE 122 N -0.11 0.89 -0.33 3.13 1.08 -1.75 -1.98 117.51 118.44 2r1h h ILE 122 Ca 0.03 -0.03 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 2r1h h ILE 122 Cb 0.32 0.78 -0.08 0.00 -3.07 0.00 0.00 36.82 34.77 2r1h h ILE 122 CO 0.00 0.02 -0.21 -0.74 -0.69 0.00 0.00 178.15 176.53 2r1h h HIS 123 N 0.10 -0.54 -0.42 1.37 2.76 -0.50 0.20 115.15 118.11 2r1h h HIS 123 Ca 0.09 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.39 2r1h h HIS 123 Cb 0.10 0.29 -0.09 0.00 1.55 0.00 0.00 27.41 29.26 2r1h h HIS 123 CO -0.16 -0.29 -0.24 1.25 -1.30 0.00 0.00 177.93 177.20 2r1h h LEU 124 N -0.17 -0.80 -0.53 0.26 5.85 -0.03 0.17 115.31 120.06 2r1h h LEU 124 Ca 0.17 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 59.01 2r1h h LEU 124 Cb 0.43 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2r1h h LEU 124 CO -0.44 -0.26 0.13 0.28 -0.34 0.00 0.00 178.44 177.81 2r1h h SER 125 N -0.16 0.81 -0.67 1.25 0.02 -0.56 -1.29 113.55 112.96 2r1h h SER 125 Ca 0.20 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2r1h h SER 125 Cb 0.47 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2r1h h SER 125 CO -0.52 0.83 0.32 0.58 -1.14 0.00 0.00 176.83 176.91 2r1h h VAL 126 N 0.75 1.22 -0.44 2.27 2.07 0.02 -0.76 116.25 121.38 2r1h h VAL 126 Ca 0.17 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2r1h h VAL 126 Cb 0.34 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2r1h h VAL 126 CO 0.00 0.26 0.16 -0.78 0.02 0.00 0.00 177.57 177.24 2r1h h ASP 127 N 0.92 0.62 -0.63 0.57 3.58 -0.42 0.29 116.42 121.35 2r1h h ASP 127 Ca 0.23 -0.18 0.02 0.00 0.42 0.00 0.00 57.03 57.52 2r1h h ASP 127 Cb 0.11 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 40.97 2r1h h ASP 127 CO -0.03 0.63 0.39 0.11 -2.88 0.00 0.00 179.24 177.46 2r1h h LYS 128 N 0.57 0.75 0.22 0.28 1.57 -1.03 0.14 116.57 119.08 2r1h h LYS 128 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2r1h h LYS 128 Cb 0.21 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2r1h h LYS 128 CO -0.01 0.50 -0.12 0.35 -0.57 0.00 0.00 179.45 179.59 2r1h h PHE 129 N 0.78 -0.32 -0.41 -1.35 3.57 -0.43 -1.43 116.94 117.34 2r1h h PHE 129 Ca 0.25 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 2r1h h PHE 129 Cb -0.00 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2r1h h PHE 129 CO -0.05 -0.20 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.75 2r1h h LEU 130 N -0.33 0.65 -0.89 0.59 3.38 -0.22 0.75 115.31 119.23 2r1h h LEU 130 Ca -0.03 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2r1h h LEU 130 Cb 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2r1h h LEU 130 CO 0.03 0.73 0.12 1.56 0.09 0.00 0.00 178.44 180.98 2r1h h GLN 131 N 0.63 0.94 -0.45 1.13 1.08 -0.84 0.85 115.11 118.46 2r1h h GLN 131 Ca 0.13 -0.22 -0.08 0.00 -1.45 0.00 0.00 58.65 57.03 2r1h h GLN 131 Cb 0.43 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 2r1h h GLN 131 CO 0.02 0.86 -0.02 0.37 -0.95 0.00 0.00 178.83 179.11 2r1h h GLN 132 N 0.90 0.81 -0.27 1.46 5.75 -0.73 -0.44 115.11 122.59 2r1h h GLN 132 Ca 0.19 -0.27 0.05 0.00 -0.15 0.00 0.00 58.65 58.48 2r1h h GLN 132 Cb 0.35 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 2r1h h GLN 132 CO 0.00 0.88 -0.08 1.25 -2.65 0.00 0.00 178.83 178.23 2r1h h LEU 133 N 0.65 -0.28 -0.62 -2.39 6.46 -0.65 0.11 115.31 118.59 2r1h h LEU 133 Ca 0.12 0.08 0.08 0.00 -0.12 0.00 0.00 57.88 58.05 2r1h h LEU 133 Cb 0.53 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.57 2r1h h LEU 133 CO 0.03 -0.10 0.28 0.00 -0.62 0.00 0.00 178.44 178.03 2r1h h ALA 134 N 1.24 0.82 -0.64 1.25 0.00 -0.65 -0.92 119.26 120.35 2r1h h ALA 134 Ca 0.13 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2r1h h ALA 134 Cb 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2r1h h ALA 134 CO -0.28 -0.11 0.16 -0.07 0.00 0.00 0.00 179.25 178.95 2r1h h LEU 135 N 0.51 0.94 -0.71 0.00 3.38 -0.56 -1.92 115.31 116.95 2r1h h LEU 135 Ca 0.30 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2r1h h LEU 135 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2r1h h LEU 135 CO -0.25 0.91 -0.49 0.00 0.09 0.00 0.00 178.44 178.70 2r1h h ALA 136 N 1.21 0.89 0.00 1.53 0.00 -0.38 -2.25 119.26 120.27 2r1h h ALA 136 Ca 0.21 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2r1h h ALA 136 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2r1h h ALA 136 CO -0.00 0.66 -0.29 -0.07 0.00 0.00 0.00 179.25 179.55 2r1h h LEU 137 N 0.30 0.00 -0.26 0.00 3.38 -0.96 -2.66 115.31 115.11 2r1h h LEU 137 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2r1h h LEU 137 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2r1h h LEU 137 CO 0.08 0.29 -0.08 0.00 0.09 0.00 0.00 178.44 178.82 2r1h n ALA 138 N -2.36 2.72 0.06 1.53 0.00 -0.74 -4.27 120.51 117.45 2r1h n ALA 138 Ca -0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.11 2r1h n ALA 138 Cb 0.38 -1.35 0.15 0.00 0.00 0.00 0.00 19.45 18.63 2r1h n ALA 138 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2r1h h GLU 139 N 0.64 0.33 -0.63 0.00 4.57 -1.06 -3.09 114.58 115.34 2r1h h GLU 139 Ca 0.00 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2r1h h GLU 139 Cb 0.32 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2r1h h GLU 139 CO 0.00 0.75 0.00 1.63 -1.18 0.00 0.00 179.01 180.21 2r1h n LYS 140 N -3.96 4.21 -2.91 1.92 4.76 -1.26 -4.87 118.16 116.04 2r1h n LYS 140 Ca -0.02 -2.93 -0.40 0.00 -2.87 0.00 0.00 58.31 52.09 2r1h n LYS 140 Cb 0.55 -2.06 -0.06 0.00 -1.84 0.00 0.00 35.03 31.62 2r1h n LYS 140 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2r1h s TYR 141 N -2.25 3.90 0.00 2.13 2.02 -1.17 -4.68 117.35 117.30 2r1h s TYR 141 Ca 0.52 1.69 0.00 0.00 -0.37 0.00 0.00 57.07 58.91 2r1h s TYR 141 Cb 0.36 -2.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.08 2r1h s TYR 141 CO 0.20 0.46 0.00 0.54 -1.57 0.00 0.00 175.55 175.18