#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dax h SER 2 N 0.00 0.00 -2.60 1.61 0.02 -2.09 -3.47 113.55 107.03 2dax h SER 2 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 2dax h SER 2 Cb 0.00 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.61 2dax h SER 2 CO 0.00 0.51 0.84 -1.54 -1.14 0.00 0.00 176.83 175.50 2dax n SER 3 N -3.96 3.41 -1.26 3.07 3.41 -1.26 -4.65 113.62 112.38 2dax n SER 3 Ca -0.04 1.10 0.06 0.00 -0.26 0.00 0.00 58.87 59.73 2dax n SER 3 Cb 0.15 -1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 62.57 2dax n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dax n GLY 4 N 3.18 -3.61 3.57 5.00 0.00 -1.26 -5.05 105.19 107.03 2dax n GLY 4 Ca 0.15 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 2dax n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dax s SER 5 N -5.73 -0.70 0.39 1.61 0.01 -1.26 -5.03 113.70 103.00 2dax s SER 5 Ca 0.00 1.34 0.04 0.00 1.31 0.00 0.00 55.95 58.64 2dax s SER 5 Cb 0.00 1.35 -0.00 0.00 0.21 0.00 0.00 66.02 67.58 2dax s SER 5 CO 0.00 -0.23 0.57 -0.94 0.41 0.00 0.00 173.24 173.05 2dax s SER 6 N 0.43 5.86 -0.43 2.44 1.04 -1.26 -4.93 113.70 116.85 2dax s SER 6 Ca -0.01 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.44 2dax s SER 6 Cb -0.05 -1.29 0.12 0.00 0.10 0.00 0.00 66.02 64.90 2dax s SER 6 CO -0.00 -0.59 0.19 -0.83 0.98 0.00 0.00 173.24 172.99 2dax s GLY 7 N -4.21 1.97 0.40 7.32 0.00 -1.26 -4.97 107.32 106.57 2dax s GLY 7 Ca 0.47 -2.74 0.25 0.00 0.00 0.00 0.00 44.72 42.70 2dax s GLY 7 CO 0.34 1.21 1.59 1.05 0.00 0.00 0.00 173.10 177.30 2dax h GLU 8 N 6.99 0.05 -0.89 2.90 -0.00 -2.00 0.17 114.58 121.79 2dax h GLU 8 Ca -0.06 -0.00 0.16 0.00 -0.00 0.00 0.00 59.36 59.46 2dax h GLU 8 Cb 0.94 -0.01 -0.16 0.00 -0.00 0.00 0.00 28.75 29.52 2dax h GLU 8 CO 0.57 0.03 -0.30 0.37 -0.00 0.00 0.00 179.01 179.68 2dax h GLN 9 N 0.05 -0.03 -0.09 1.06 4.15 -1.96 0.25 115.11 118.54 2dax h GLN 9 Ca 0.84 0.00 0.03 0.00 0.77 0.00 0.00 58.65 60.30 2dax h GLN 9 Cb 2.42 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 30.08 2dax h GLN 9 CO -0.61 -0.02 -0.13 0.00 -1.93 0.00 0.00 178.83 176.15 2dax h ALA 10 N 1.57 -0.07 -0.27 3.38 0.00 -0.99 -1.41 119.26 121.47 2dax h ALA 10 Ca 0.37 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.35 2dax h ALA 10 Cb 0.62 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2dax h ALA 10 CO -0.92 -0.59 0.19 0.93 0.00 0.00 0.00 179.25 178.86 2dax h GLU 11 N -0.17 0.21 -0.51 0.00 5.08 -0.81 -2.40 114.58 115.98 2dax h GLU 11 Ca 0.07 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.52 2dax h GLU 11 Cb 0.28 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.39 2dax h GLU 11 CO -0.19 0.14 -0.01 0.00 -1.00 0.00 0.00 179.01 177.95 2dax h ALA 12 N 1.85 0.47 0.61 3.43 0.00 0.49 0.19 119.26 126.30 2dax h ALA 12 Ca 0.12 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2dax h ALA 12 Cb 0.19 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2dax h ALA 12 CO -0.02 -0.39 -0.29 1.96 0.00 0.00 0.00 179.25 180.50 2dax h GLN 13 N 0.10 -0.79 -1.00 0.00 4.20 -1.40 -3.10 115.11 113.13 2dax h GLN 13 Ca 0.26 0.05 0.29 0.00 0.06 0.00 0.00 58.65 59.31 2dax h GLN 13 Cb 0.39 0.18 -0.14 0.00 0.30 0.00 0.00 27.48 28.21 2dax h GLN 13 CO -0.44 -0.53 0.56 1.25 -0.67 0.00 0.00 178.83 179.01 2dax h LEU 14 N -0.99 0.55 -0.05 1.46 5.85 -1.45 -1.72 115.31 118.95 2dax h LEU 14 Ca -0.08 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2dax h LEU 14 Cb 0.63 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2dax h LEU 14 CO 0.14 -0.05 -0.23 0.00 -0.34 0.00 0.00 178.44 177.96 2dax h ALA 15 N 1.80 -0.63 -0.97 1.25 0.00 -0.56 -0.03 119.26 120.12 2dax h ALA 15 Ca 0.69 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.70 2dax h ALA 15 Cb 1.49 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 19.94 2dax h ALA 15 CO -0.56 -0.71 0.62 1.05 0.00 0.00 0.00 179.25 179.64 2dax h GLU 16 N -0.25 0.90 -0.96 0.00 4.11 -1.31 -0.67 114.58 116.40 2dax h GLU 16 Ca 0.01 -0.05 0.09 0.00 0.07 0.00 0.00 59.36 59.48 2dax h GLU 16 Cb 0.28 -0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.26 2dax h GLU 16 CO -0.18 0.59 0.60 -0.07 0.07 0.00 0.00 179.01 180.03 2dax h LEU 17 N 0.92 0.92 -0.29 3.06 3.38 -0.56 0.95 115.31 123.69 2dax h LEU 17 Ca 0.48 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.34 2dax h LEU 17 Cb 0.53 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2dax h LEU 17 CO -0.24 0.53 -0.37 -0.78 0.09 0.00 0.00 178.44 177.67 2dax h ASP 18 N 1.02 0.83 0.69 -0.43 3.58 0.49 -2.99 116.42 119.61 2dax h ASP 18 Ca 0.45 -0.50 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 2dax h ASP 18 Cb 0.35 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.17 2dax h ASP 18 CO -0.23 1.16 -0.33 0.25 -2.88 0.00 0.00 179.24 177.21 2dax h LEU 19 N 0.52 -0.79 -0.63 2.28 6.46 -0.70 -3.11 115.31 119.34 2dax h LEU 19 Ca 0.04 -0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.88 2dax h LEU 19 Cb 0.96 0.20 -0.11 0.00 -0.73 0.00 0.00 40.66 40.98 2dax h LEU 19 CO 0.09 -0.48 -0.46 -0.07 -0.62 0.00 0.00 178.44 176.90 2dax h LEU 20 N -1.07 -1.61 -0.97 2.25 3.38 -0.93 0.33 115.31 116.68 2dax h LEU 20 Ca -0.10 0.26 0.33 0.00 0.09 0.00 0.00 57.88 58.46 2dax h LEU 20 Cb 0.74 0.72 -0.17 0.00 0.09 0.00 0.00 40.66 42.05 2dax h LEU 20 CO 0.16 -0.33 0.35 0.00 0.09 0.00 0.00 178.44 178.70 2dax h ALA 21 N 0.58 1.68 0.06 1.53 0.00 -1.53 0.35 119.26 121.93 2dax h ALA 21 Ca 0.18 0.27 -0.21 0.00 0.00 0.00 0.00 54.91 55.14 2dax h ALA 21 Cb 0.55 0.37 0.02 0.00 0.00 0.00 0.00 17.79 18.73 2dax h ALA 21 CO -0.72 -0.69 -0.87 0.77 0.00 0.00 0.00 179.25 177.74 2dax h SER 22 N 0.10 0.66 -0.68 0.00 0.02 -0.46 -3.24 113.55 109.95 2dax h SER 22 Ca 0.70 -0.81 0.17 0.00 -0.84 0.00 0.00 61.79 61.02 2dax h SER 22 Cb 1.65 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.94 2dax h SER 22 CO -0.76 1.40 0.48 0.24 -1.14 0.00 0.00 176.83 177.05 2dax h MET 23 N 0.01 0.14 -2.92 3.45 2.07 0.30 -3.07 114.93 114.90 2dax h MET 23 Ca -0.13 -0.01 -0.66 0.00 -2.07 0.00 0.00 59.70 56.84 2dax h MET 23 Cb 1.59 -0.03 -0.39 0.00 -1.87 0.00 0.00 31.60 30.90 2dax h MET 23 CO 0.17 0.09 -0.32 1.19 1.07 0.00 0.00 176.91 179.11 2dax n PHE 24 N -4.40 3.61 0.27 -0.22 3.01 -0.07 -4.88 117.46 114.77 2dax n PHE 24 Ca 0.13 -4.10 0.15 0.00 1.01 0.00 0.00 57.45 54.65 2dax n PHE 24 Cb 0.65 -0.82 0.66 0.00 -0.01 0.00 0.00 39.48 39.96 2dax n PHE 24 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dax h PRO 25 N 5.27 0.00 -6.59 -1.08 0.13 -1.68 -3.43 132.00 124.62 2dax h PRO 25 Ca 0.17 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.72 2dax h PRO 25 Cb 0.74 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.04 2dax h PRO 25 CO 0.84 0.06 -0.31 0.41 -0.23 0.00 0.00 178.00 178.77 2dax n GLY 26 N -0.04 -1.31 0.13 1.56 0.00 -1.26 -4.90 105.19 99.38 2dax n GLY 26 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 2dax n GLY 26 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dax h GLU 27 N 0.16 0.15 -1.08 1.61 4.11 -1.96 -3.31 114.58 114.26 2dax h GLU 27 Ca -0.46 -0.14 -0.53 0.00 0.07 0.00 0.00 59.36 58.29 2dax h GLU 27 Cb 1.39 0.04 -0.42 0.00 0.50 0.00 0.00 28.75 30.25 2dax h GLU 27 CO 0.47 0.85 -0.82 0.27 0.07 0.00 0.00 179.01 179.84 2dax n ASN 28 N -3.71 4.39 -0.10 3.06 6.94 -1.26 -4.75 115.26 119.83 2dax n ASN 28 Ca -0.02 -3.56 -0.19 0.00 -0.02 0.00 0.00 54.58 50.79 2dax n ASN 28 Cb 0.74 -0.41 -0.08 0.00 -2.36 0.00 0.00 39.78 37.66 2dax n ASN 28 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2dax n GLU 29 N -0.56 0.46 -4.06 -3.83 1.02 -1.24 -4.74 120.64 107.69 2dax n GLU 29 Ca 0.37 0.17 -0.18 0.00 -0.02 0.00 0.00 57.16 57.49 2dax n GLU 29 Cb 0.81 -1.30 -0.16 0.00 -0.02 0.00 0.00 31.44 30.77 2dax n GLU 29 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dax s LEU 30 N -6.77 1.27 -0.04 -4.62 0.20 -1.26 0.12 118.68 107.57 2dax s LEU 30 Ca -0.28 -0.08 0.04 0.00 0.69 0.00 0.00 54.13 54.49 2dax s LEU 30 Cb 0.10 -0.34 -0.00 0.00 -0.43 0.00 0.00 46.19 45.52 2dax s LEU 30 CO 0.40 -0.07 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.61 2dax s ILE 31 N 0.94 1.27 -0.28 6.68 1.09 0.28 -4.98 121.20 126.20 2dax s ILE 31 Ca -0.11 -0.62 -0.04 0.00 -1.10 0.00 0.00 60.65 58.77 2dax s ILE 31 Cb -0.14 -1.10 0.02 0.00 -1.06 0.00 0.00 42.46 40.18 2dax s ILE 31 CO -0.01 0.37 0.02 0.54 -0.10 0.00 0.00 174.94 175.77 2dax s VAL 32 N 0.10 3.47 -0.06 2.92 0.11 -1.26 0.56 120.40 126.24 2dax s VAL 32 Ca -0.04 -0.89 -0.25 0.00 -2.93 0.00 0.00 61.98 57.87 2dax s VAL 32 Cb -0.11 -2.80 -0.23 0.00 -1.53 0.00 0.00 36.38 31.71 2dax s VAL 32 CO 0.02 0.10 1.04 0.78 -3.33 0.00 0.00 175.10 173.70 2dax h ASN 33 N 8.13 0.15 -2.86 3.54 2.35 -1.86 -3.40 115.58 121.63 2dax h ASN 33 Ca -0.31 -0.75 -0.70 0.00 -0.55 0.00 0.00 56.30 53.99 2dax h ASN 33 Cb 1.11 -0.05 -0.19 0.00 0.05 0.00 0.00 38.32 39.25 2dax h ASN 33 CO 0.59 0.88 0.31 -1.81 -1.65 0.00 0.00 177.43 175.75 2dax s ASP 34 N -6.18 6.31 -0.14 5.81 1.11 -0.88 -4.86 116.67 117.84 2dax s ASP 34 Ca -0.16 -1.58 -0.18 0.00 0.18 0.00 0.00 52.55 50.81 2dax s ASP 34 Cb 0.00 -2.33 -0.24 0.00 1.07 0.00 0.00 42.92 41.42 2dax s ASP 34 CO 0.72 -1.11 0.44 -0.61 1.18 0.00 0.00 175.17 175.78 2dax h GLN 35 N 9.06 0.15 -0.67 8.23 5.75 -1.87 -3.38 115.11 132.37 2dax h GLN 35 Ca -0.18 -0.25 0.12 0.00 -0.15 0.00 0.00 58.65 58.19 2dax h GLN 35 Cb 1.07 0.09 -0.13 0.00 1.07 0.00 0.00 27.48 29.59 2dax h GLN 35 CO 1.08 1.12 -0.31 1.25 -2.65 0.00 0.00 178.83 179.32 2dax h LEU 36 N -0.54 -1.10 -0.87 -2.39 5.85 -1.98 -0.22 115.31 114.06 2dax h LEU 36 Ca -0.31 0.24 0.15 0.00 0.84 0.00 0.00 57.88 58.80 2dax h LEU 36 Cb 1.59 0.57 -0.15 0.00 0.37 0.00 0.00 40.66 43.04 2dax h LEU 36 CO -0.03 -0.29 -0.29 0.00 -0.34 0.00 0.00 178.44 177.49 2dax n ALA 37 N -3.21 0.02 0.11 1.25 0.00 -1.26 -0.11 120.51 117.31 2dax n ALA 37 Ca 0.06 0.91 -0.13 0.00 0.00 0.00 0.00 53.44 54.27 2dax n ALA 37 Cb 0.37 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 2dax n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dax h VAL 38 N 0.00 0.90 -0.93 0.00 2.07 -1.26 -2.98 116.25 114.05 2dax h VAL 38 Ca 0.35 -0.34 0.25 0.00 0.82 0.00 0.00 66.70 67.79 2dax h VAL 38 Cb 0.57 1.10 -0.17 0.00 -1.52 0.00 0.00 31.29 31.27 2dax h VAL 38 CO -0.88 0.08 0.08 0.00 0.02 0.00 0.00 177.57 176.87 2dax h ALA 39 N 0.39 1.16 -0.80 1.67 0.00 -0.01 0.87 119.26 122.54 2dax h ALA 39 Ca -0.02 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2dax h ALA 39 Cb 0.31 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2dax h ALA 39 CO 0.04 -0.54 0.44 0.93 0.00 0.00 0.00 179.25 180.12 2dax h GLU 40 N 0.06 1.12 -0.30 0.00 4.39 -1.12 -2.36 114.58 116.36 2dax h GLU 40 Ca 0.57 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 60.15 2dax h GLU 40 Cb 1.16 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 2dax h GLU 40 CO -0.82 0.82 0.17 1.25 -1.16 0.00 0.00 179.01 179.27 2dax h LEU 41 N 1.12 0.27 0.58 1.33 5.85 0.89 -1.03 115.31 124.32 2dax h LEU 41 Ca 0.28 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 2dax h LEU 41 Cb 0.03 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2dax h LEU 41 CO -0.05 0.20 -0.30 0.11 -0.34 0.00 0.00 178.44 178.07 2dax h LYS 42 N 0.35 -0.77 -0.95 1.25 6.56 -1.07 -2.40 116.57 119.54 2dax h LYS 42 Ca 0.12 0.05 0.17 0.00 -1.06 0.00 0.00 60.65 59.94 2dax h LYS 42 Cb 0.01 0.18 -0.10 0.00 -0.57 0.00 0.00 32.23 31.74 2dax h LYS 42 CO -0.06 -0.52 0.54 0.22 -2.06 0.00 0.00 179.45 177.57 2dax h ASP 43 N -0.80 0.68 0.23 0.86 3.58 -1.33 -0.22 116.42 119.42 2dax h ASP 43 Ca -0.08 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.48 2dax h ASP 43 Cb 0.63 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2dax h ASP 43 CO 0.12 0.25 -0.26 0.00 -2.88 0.00 0.00 179.24 176.47 2dax h ILE 45 N -0.53 0.83 -0.64 0.00 2.04 -0.84 0.17 117.51 118.54 2dax h ILE 45 Ca 0.00 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 65.94 2dax h ILE 45 Cb 0.50 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 2dax h ILE 45 CO -0.08 0.01 0.44 -0.33 0.00 0.00 0.00 178.15 178.19 2dax h GLU 46 N -0.27 0.34 -0.63 2.37 4.39 -0.95 0.34 114.58 120.19 2dax h GLU 46 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2dax h GLU 46 Cb 0.20 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2dax h GLU 46 CO 0.04 0.23 0.00 1.63 -1.16 0.00 0.00 179.01 179.75 2dax n LYS 47 N -4.46 2.73 -2.43 2.33 5.02 0.46 -4.91 118.16 116.90 2dax n LYS 47 Ca 0.11 -2.29 -0.03 0.00 -2.02 0.00 0.00 58.31 54.08 2dax n LYS 47 Cb 0.46 -1.59 -0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2dax n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dax n LYS 48 N 1.18 -2.72 -4.94 1.97 5.02 0.12 -4.88 118.16 113.91 2dax n LYS 48 Ca 0.21 0.16 -0.32 0.00 -2.02 0.00 0.00 58.31 56.34 2dax n LYS 48 Cb 0.61 -4.67 -0.17 0.00 -0.02 0.00 0.00 35.03 30.78 2dax n LYS 48 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2dax s THR 49 N -2.13 2.04 -0.62 -0.18 -1.32 0.36 -4.83 115.64 108.97 2dax s THR 49 Ca 0.00 -0.99 -0.07 0.00 -1.21 0.00 0.00 61.69 59.42 2dax s THR 49 Cb 0.00 -1.78 0.16 0.00 -1.51 0.00 0.00 72.50 69.37 2dax s THR 49 CO 0.00 0.55 0.47 -0.04 -2.21 0.00 0.00 174.62 173.39 2dax s MET 50 N 0.58 2.74 -0.23 7.08 -1.94 -1.26 -4.37 119.30 121.89 2dax s MET 50 Ca -0.13 -2.26 0.02 0.00 -1.71 0.00 0.00 55.69 51.61 2dax s MET 50 Cb -0.17 -3.93 0.33 0.00 2.01 0.00 0.00 34.83 33.07 2dax s MET 50 CO 0.04 -1.20 1.49 0.39 -0.01 0.00 0.00 175.02 175.73 2dax n GLU 51 N 4.06 1.65 -2.94 2.03 1.02 -1.26 -4.94 120.64 120.25 2dax n GLU 51 Ca 0.04 -1.53 -0.01 0.00 -0.02 0.00 0.00 57.16 55.64 2dax n GLU 51 Cb 0.41 -1.60 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 2dax n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dax n GLY 52 N -0.31 -2.04 2.63 0.62 0.00 -1.26 -4.77 105.19 100.06 2dax n GLY 52 Ca 0.31 0.45 -0.33 0.00 0.00 0.00 0.00 46.02 46.45 2dax n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dax n ARG 53 N 1.51 0.00 -0.01 1.61 1.74 -1.26 -4.92 116.66 115.33 2dax n ARG 53 Ca -0.08 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.99 2dax n ARG 53 Cb 0.29 -0.80 -0.01 0.00 -1.02 0.00 0.00 32.46 30.91 2dax n ARG 53 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dax n SER 54 N 1.93 4.08 -4.53 0.55 2.88 -1.26 -4.93 113.62 112.35 2dax n SER 54 Ca 0.08 -0.01 -0.37 0.00 -1.33 0.00 0.00 58.87 57.24 2dax n SER 54 Cb 0.34 0.22 -0.12 0.00 -0.75 0.00 0.00 64.21 63.91 2dax n SER 54 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dax s SER 55 N -3.83 5.64 0.28 -3.46 0.15 -1.26 -5.07 113.70 106.15 2dax s SER 55 Ca -0.03 -0.11 -0.29 0.00 0.70 0.00 0.00 55.95 56.22 2dax s SER 55 Cb 0.01 -2.04 -0.10 0.00 -1.71 0.00 0.00 66.02 62.19 2dax s SER 55 CO 0.08 -0.05 1.23 -0.54 1.20 0.00 0.00 173.24 175.16 2dax s LYS 56 N 1.70 4.46 -0.73 5.44 1.02 -1.26 -4.67 119.74 125.70 2dax s LYS 56 Ca 0.07 2.03 -0.26 0.00 0.02 0.00 0.00 55.97 57.83 2dax s LYS 56 Cb -0.16 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 2dax s LYS 56 CO 0.08 -0.07 1.96 0.08 -0.92 0.00 0.00 175.35 176.48 2dax s VAL 57 N -0.79 3.35 -0.41 3.17 1.01 -1.21 -4.87 120.40 120.64 2dax s VAL 57 Ca 0.49 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 2dax s VAL 57 Cb -0.36 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.18 2dax s VAL 57 CO 0.45 -0.82 0.51 -0.47 0.00 0.00 0.00 175.10 174.77 2dax s TYR 58 N 9.99 3.14 -0.03 5.22 5.04 -1.26 -2.98 117.35 136.47 2dax s TYR 58 Ca 0.72 -0.18 -0.01 0.00 -2.44 0.00 0.00 57.07 55.16 2dax s TYR 58 Cb -0.11 -3.03 0.03 0.00 0.35 0.00 0.00 41.96 39.21 2dax s TYR 58 CO 0.12 -0.72 0.06 -0.59 -1.34 0.00 0.00 175.55 173.08 2dax s PHE 59 N 2.38 -0.02 0.10 4.97 -0.71 -1.10 -2.07 117.98 121.53 2dax s PHE 59 Ca 0.16 0.24 -0.09 0.00 -1.04 0.00 0.00 56.93 56.20 2dax s PHE 59 Cb -0.16 -0.21 -0.06 0.00 -1.21 0.00 0.00 43.02 41.38 2dax s PHE 59 CO 0.15 -0.12 0.41 0.99 -1.34 0.00 0.00 175.22 175.32 2dax s THR 60 N 1.18 5.08 -0.20 -4.49 2.01 0.19 -2.89 115.64 116.52 2dax s THR 60 Ca -0.08 0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.34 2dax s THR 60 Cb -0.13 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.77 2dax s THR 60 CO -0.04 0.22 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.32 2dax s ILE 61 N -1.48 2.04 -0.19 1.82 1.01 -1.05 -0.56 121.20 122.80 2dax s ILE 61 Ca 0.36 -1.14 -0.21 0.00 0.00 0.00 0.00 60.65 59.66 2dax s ILE 61 Cb -0.13 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 2dax s ILE 61 CO 0.19 0.34 0.63 0.20 0.00 0.00 0.00 174.94 176.30 2dax s ASN 62 N 1.25 6.71 -0.10 3.58 0.01 0.32 -2.31 114.94 124.40 2dax s ASN 62 Ca 0.00 0.86 -0.01 0.00 -0.71 0.00 0.00 52.86 53.00 2dax s ASN 62 Cb -0.15 -2.35 0.03 0.00 0.41 0.00 0.00 41.25 39.19 2dax s ASN 62 CO -0.10 -0.25 -0.01 -0.04 -1.51 0.00 0.00 177.10 175.19 2dax s MET 63 N 1.79 0.76 -0.17 -0.60 -1.94 -0.98 -4.62 119.30 113.54 2dax s MET 63 Ca 0.29 -0.02 -0.16 0.00 -1.71 0.00 0.00 55.69 54.09 2dax s MET 63 Cb -0.16 -1.23 -0.04 0.00 2.01 0.00 0.00 34.83 35.41 2dax s MET 63 CO 0.11 -0.35 0.40 1.21 -0.01 0.00 0.00 175.02 176.38 2dax s ASN 64 N 1.92 6.51 0.07 3.03 3.04 -1.26 -1.64 114.94 126.61 2dax s ASN 64 Ca 0.04 0.61 0.01 0.00 0.04 0.00 0.00 52.86 53.56 2dax s ASN 64 Cb -0.13 -2.24 -0.04 0.00 -1.54 0.00 0.00 41.25 37.31 2dax s ASN 64 CO -0.06 -0.01 -0.06 -0.76 -3.04 0.00 0.00 177.10 173.17 2dax s LEU 65 N 0.91 2.43 0.03 3.21 1.43 -0.72 -4.97 118.68 121.00 2dax s LEU 65 Ca 0.21 -0.87 -0.20 0.00 -1.03 0.00 0.00 54.13 52.23 2dax s LEU 65 Cb -0.14 -0.02 -0.06 0.00 0.03 0.00 0.00 46.19 45.99 2dax s LEU 65 CO 0.08 -0.43 0.59 -1.81 0.23 0.00 0.00 176.35 175.01 2dax s ASP 66 N -2.60 7.02 -0.08 2.29 1.11 -1.26 -0.92 116.67 122.22 2dax s ASP 66 Ca 0.04 1.21 -0.03 0.00 0.18 0.00 0.00 52.55 53.96 2dax s ASP 66 Cb 0.02 -2.37 -0.04 0.00 1.07 0.00 0.00 42.92 41.60 2dax s ASP 66 CO -0.04 0.16 -0.09 1.33 1.18 0.00 0.00 175.17 177.70 2dax n VAL 67 N 2.36 0.44 -3.93 -1.27 0.24 -1.17 -4.79 118.33 110.21 2dax n VAL 67 Ca -0.08 -0.13 0.01 0.00 -2.04 0.00 0.00 64.34 62.10 2dax n VAL 67 Cb 0.51 -1.37 0.01 0.00 -1.47 0.00 0.00 33.84 31.52 2dax n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2dax n SER 68 N -3.18 -1.04 -4.06 -1.34 3.41 -1.26 -4.99 113.62 101.17 2dax n SER 68 Ca -0.15 -1.32 -0.29 0.00 -0.26 0.00 0.00 58.87 56.85 2dax n SER 68 Cb 0.62 1.64 -0.03 0.00 -0.26 0.00 0.00 64.21 66.18 2dax n SER 68 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dax n ASP 69 N -0.94 -0.93 -1.99 4.04 8.00 -1.26 -0.03 116.55 123.44 2dax n ASP 69 Ca 0.02 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.49 2dax n ASP 69 Cb 0.46 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 38.72 2dax n ASP 69 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2dax n GLU 70 N -4.42 -2.35 -4.51 -1.24 0.28 -1.26 -4.84 120.64 102.30 2dax n GLU 70 Ca -0.22 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.47 2dax n GLU 70 Cb 0.64 -4.11 -0.05 0.00 1.43 0.00 0.00 31.44 29.35 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2dax s LYS 71 N -3.94 2.23 0.07 3.44 1.02 0.96 -5.09 119.74 118.44 2dax s LYS 71 Ca 0.00 -2.33 -0.15 0.00 0.02 0.00 0.00 55.97 53.51 2dax s LYS 71 Cb 0.00 -1.69 0.03 0.00 -0.52 0.00 0.00 37.83 35.65 2dax s LYS 71 CO 0.00 -0.50 0.34 0.00 -0.92 0.00 0.00 175.35 174.27 2dax s MET 72 N -4.03 0.91 0.32 1.68 0.23 -1.26 -3.02 119.30 114.12 2dax s MET 72 Ca 0.10 -0.58 0.06 0.00 -1.03 0.00 0.00 55.69 54.24 2dax s MET 72 Cb -0.01 0.40 -0.06 0.00 -1.53 0.00 0.00 34.83 33.63 2dax s MET 72 CO 0.07 -0.32 -0.01 0.00 -2.03 0.00 0.00 175.02 172.73 2dax s ALA 73 N -3.03 2.53 -0.23 3.16 0.00 -0.10 -4.93 121.76 119.16 2dax s ALA 73 Ca -0.02 -2.04 -0.06 0.00 0.00 0.00 0.00 51.96 49.85 2dax s ALA 73 Cb 0.01 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 2dax s ALA 73 CO -0.06 -0.15 0.03 1.41 0.00 0.00 0.00 175.76 176.99 2dax s MET 74 N -3.77 3.61 -0.00 0.00 1.75 -1.26 -1.76 119.30 117.87 2dax s MET 74 Ca 0.33 -0.51 -0.01 0.00 -1.25 0.00 0.00 55.69 54.25 2dax s MET 74 Cb 0.06 -3.19 -0.04 0.00 2.84 0.00 0.00 34.83 34.50 2dax s MET 74 CO 0.14 -0.11 0.13 -0.06 -0.65 0.00 0.00 175.02 174.48 2dax s PHE 75 N 1.34 3.41 -0.20 4.11 0.40 -0.65 -4.90 117.98 121.49 2dax s PHE 75 Ca 0.05 0.27 -0.03 0.00 -0.60 0.00 0.00 56.93 56.62 2dax s PHE 75 Cb -0.15 -1.78 -0.01 0.00 0.51 0.00 0.00 43.02 41.60 2dax s PHE 75 CO 0.02 0.60 -0.08 -1.12 0.70 0.00 0.00 175.22 175.34 2dax s SER 76 N -1.86 4.13 -0.57 1.36 0.01 -1.00 -2.33 113.70 113.44 2dax s SER 76 Ca 0.25 -0.40 -0.06 0.00 1.31 0.00 0.00 55.95 57.05 2dax s SER 76 Cb -0.12 -1.69 0.15 0.00 0.21 0.00 0.00 66.02 64.57 2dax s SER 76 CO 0.16 0.02 0.42 -0.76 0.41 0.00 0.00 173.24 173.49 2dax s LEU 77 N 1.21 5.55 -0.62 2.44 1.02 -0.98 -0.53 118.68 126.78 2dax s LEU 77 Ca 0.02 -2.45 -0.28 0.00 0.02 0.00 0.00 54.13 51.44 2dax s LEU 77 Cb -0.14 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 44.15 2dax s LEU 77 CO -0.03 -0.51 1.40 0.00 0.02 0.00 0.00 176.35 177.24 2dax s ALA 78 N 0.53 2.74 -0.05 4.21 0.00 -0.61 -2.53 121.76 126.06 2dax s ALA 78 Ca 0.13 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2dax s ALA 78 Cb -0.21 -4.16 -0.04 0.00 0.00 0.00 0.00 23.12 18.71 2dax s ALA 78 CO -0.04 -3.10 0.08 0.00 0.00 0.00 0.00 175.76 172.70 2dax s ILE 80 N -1.07 0.02 -0.34 0.00 1.01 -1.23 -2.71 121.20 116.87 2dax s ILE 80 Ca 0.18 -0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.54 2dax s ILE 80 Cb -0.12 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.83 2dax s ILE 80 CO 0.09 -0.12 0.85 -0.76 0.00 0.00 0.00 174.94 174.99 2dax s LEU 81 N 2.10 4.06 0.00 2.97 1.43 -1.16 -1.87 118.68 126.21 2dax s LEU 81 Ca 0.03 0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 53.65 2dax s LEU 81 Cb -0.15 -3.15 0.12 0.00 0.03 0.00 0.00 46.19 43.03 2dax s LEU 81 CO -0.07 -0.73 0.42 -0.81 0.23 0.00 0.00 176.35 175.40 2dax n PRO 82 N 6.46 -1.85 0.00 1.29 -0.04 -1.26 -3.31 135.00 136.28 2dax n PRO 82 Ca 0.05 -0.68 0.13 0.00 -0.04 0.00 0.00 63.50 62.96 2dax n PRO 82 Cb 0.48 -0.64 0.45 0.00 -0.04 0.00 0.00 33.50 33.75 2dax n PRO 82 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2dax n PHE 83 N -3.43 0.00 -0.05 0.54 3.72 -1.26 -3.94 117.46 113.04 2dax n PHE 83 Ca 0.06 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.25 2dax n PHE 83 Cb 0.23 -0.27 -0.13 0.00 -0.94 0.00 0.00 39.48 38.37 2dax n PHE 83 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2dax h LYS 84 N 0.32 0.12 -2.99 -1.08 1.57 -1.92 -3.48 116.57 109.12 2dax h LYS 84 Ca 0.00 -0.21 -0.33 0.00 -1.87 0.00 0.00 60.65 58.24 2dax h LYS 84 Cb 0.46 0.08 0.06 0.00 0.08 0.00 0.00 32.23 32.91 2dax h LYS 84 CO 0.00 1.10 -0.30 0.98 -0.57 0.00 0.00 179.45 180.67 2dax n TYR 85 N -4.08 -0.37 0.68 -1.35 9.36 -1.25 -0.86 117.16 119.29 2dax n TYR 85 Ca -0.29 0.46 0.07 0.00 3.32 0.00 0.00 57.90 61.45 2dax n TYR 85 Cb 0.82 -0.96 0.37 0.00 -0.63 0.00 0.00 39.34 38.93 2dax n TYR 85 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2dax n PRO 86 N 0.52 0.19 0.00 2.98 -0.04 -1.26 -4.82 135.00 132.57 2dax n PRO 86 Ca 0.08 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2dax n PRO 86 Cb 0.14 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 2dax n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dax n ALA 87 N -1.30 0.00 -2.71 0.55 0.00 -0.04 -4.24 120.51 112.77 2dax n ALA 87 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.15 2dax n ALA 87 Cb 0.12 0.26 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 2dax n ALA 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dax s VAL 88 N -1.67 5.39 0.94 0.00 -7.23 -1.26 -4.55 120.40 112.02 2dax s VAL 88 Ca 0.00 0.19 -0.16 0.00 -1.81 0.00 0.00 61.98 60.20 2dax s VAL 88 Cb 0.00 -3.48 -0.10 0.00 0.56 0.00 0.00 36.38 33.36 2dax s VAL 88 CO 0.00 0.41 -0.41 0.18 -0.31 0.00 0.00 175.10 174.97 2dax n LEU 89 N 3.78 -4.17 0.00 1.32 4.77 -1.26 -3.78 117.00 117.67 2dax n LEU 89 Ca -0.16 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2dax n LEU 89 Cb 0.52 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2dax n LEU 89 CO 0.36 -5.25 0.00 -0.81 -1.33 0.00 0.00 177.39 170.36 2dax n PRO 90 N 1.26 -0.84 -3.23 3.23 -0.04 -1.26 -4.80 135.00 129.32 2dax n PRO 90 Ca 0.01 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 2dax n PRO 90 Cb 0.55 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.94 2dax n PRO 90 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dax n GLU 91 N -1.37 1.97 -2.38 0.54 1.02 -0.78 -4.94 120.64 114.70 2dax n GLU 91 Ca 0.00 -4.14 -0.37 0.00 -0.02 0.00 0.00 57.16 52.63 2dax n GLU 91 Cb 0.00 -1.90 -0.02 0.00 -0.02 0.00 0.00 31.44 29.50 2dax n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2dax s ILE 92 N -2.53 3.38 -0.24 -3.67 1.01 -1.25 -3.55 121.20 114.35 2dax s ILE 92 Ca 0.40 1.03 -0.03 0.00 0.00 0.00 0.00 60.65 62.05 2dax s ILE 92 Cb 0.21 -3.51 0.10 0.00 0.01 0.00 0.00 42.46 39.26 2dax s ILE 92 CO -0.07 -0.02 0.18 -0.89 0.00 0.00 0.00 174.94 174.13 2dax s THR 93 N -1.62 -0.21 -0.02 2.92 2.01 0.40 -4.93 115.64 114.18 2dax s THR 93 Ca 0.62 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 2dax s THR 93 Cb -0.25 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 2dax s THR 93 CO 0.31 -0.43 1.09 -0.69 -0.69 0.00 0.00 174.62 174.20 2dax s VAL 94 N 2.23 4.52 0.05 3.82 1.01 -1.26 -1.57 120.40 129.20 2dax s VAL 94 Ca 0.07 1.81 0.08 0.00 0.00 0.00 0.00 61.98 63.94 2dax s VAL 94 Cb -0.15 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2dax s VAL 94 CO -0.23 0.08 -0.22 -0.13 0.00 0.00 0.00 175.10 174.59 2dax s ARG 95 N 1.52 1.45 -0.29 2.72 3.00 0.31 -4.90 118.95 122.76 2dax s ARG 95 Ca 0.54 -1.02 -0.23 0.00 0.00 0.00 0.00 55.73 55.02 2dax s ARG 95 Cb -0.23 -1.61 0.17 0.00 0.00 0.00 0.00 34.95 33.28 2dax s ARG 95 CO 0.25 0.41 1.27 0.45 0.00 0.00 0.00 175.30 177.67 2dax s SER 96 N -1.30 -0.20 0.42 0.23 0.15 -1.26 -2.38 113.70 109.37 2dax s SER 96 Ca 0.09 0.36 0.23 0.00 0.70 0.00 0.00 55.95 57.33 2dax s SER 96 Cb -0.09 0.55 0.71 0.00 -1.71 0.00 0.00 66.02 65.48 2dax s SER 96 CO 0.02 -0.06 1.74 1.62 1.20 0.00 0.00 173.24 177.76 2dax h VAL 97 N 3.69 0.45 -0.41 4.45 3.04 -2.00 -3.19 116.25 122.28 2dax h VAL 97 Ca -0.27 -1.24 -0.05 0.00 -1.01 0.00 0.00 66.70 64.13 2dax h VAL 97 Cb 1.18 1.90 -0.02 0.00 -2.01 0.00 0.00 31.29 32.35 2dax h VAL 97 CO 0.17 0.21 0.07 -0.07 -1.01 0.00 0.00 177.57 176.94 2dax h LEU 98 N 0.00 0.64 -9.85 3.16 4.07 -1.98 -3.43 115.31 107.93 2dax h LEU 98 Ca -0.00 -0.25 -0.51 0.00 0.08 0.00 0.00 57.88 57.19 2dax h LEU 98 Cb 0.88 -0.17 0.04 0.00 1.08 0.00 0.00 40.66 42.50 2dax h LEU 98 CO 0.03 0.73 0.55 -0.76 -1.08 0.00 0.00 178.44 177.92 2dax s LEU 99 N -9.57 4.48 1.11 1.67 1.43 -1.21 -4.93 118.68 111.66 2dax s LEU 99 Ca -0.13 2.48 -0.17 0.00 -1.03 0.00 0.00 54.13 55.27 2dax s LEU 99 Cb 0.10 -3.66 0.25 0.00 0.03 0.00 0.00 46.19 42.91 2dax s LEU 99 CO 0.78 -0.35 1.15 -0.55 0.23 0.00 0.00 176.35 177.60 2dax s SER 100 N -0.70 1.75 0.33 2.29 0.15 -1.26 -4.69 113.70 111.56 2dax s SER 100 Ca 0.47 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.81 2dax s SER 100 Cb -0.36 -0.97 0.59 0.00 -1.71 0.00 0.00 66.02 63.57 2dax s SER 100 CO 0.47 -3.61 1.96 0.03 1.20 0.00 0.00 173.24 173.28 2dax h ARG 101 N -2.23 0.91 0.00 5.44 3.08 -1.96 -1.20 114.38 118.42 2dax h ARG 101 Ca -0.47 -0.06 -0.29 0.00 0.07 0.00 0.00 59.98 59.24 2dax h ARG 101 Cb 1.29 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 31.09 2dax h ARG 101 CO 0.41 0.61 -1.60 0.45 -1.07 0.00 0.00 179.97 178.77 2dax n SER 102 N -4.46 1.89 0.03 7.04 2.88 -1.26 -4.02 113.62 115.72 2dax n SER 102 Ca 0.10 0.41 0.22 0.00 -1.33 0.00 0.00 58.87 58.27 2dax n SER 102 Cb 0.14 -0.92 0.68 0.00 -0.75 0.00 0.00 64.21 63.36 2dax n SER 102 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2dax h GLN 103 N -1.00 0.00 0.00 -1.46 1.08 -1.91 -1.84 115.11 109.98 2dax h GLN 103 Ca -0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 2dax h GLN 103 Cb 1.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 2dax h GLN 103 CO -0.26 0.00 0.00 0.94 -0.95 0.00 0.00 178.83 178.56 2dax n GLN 104 N -3.55 0.00 -0.45 1.46 -0.06 -0.45 -3.07 117.38 111.25 2dax n GLN 104 Ca 0.10 0.39 0.41 0.00 -2.00 0.00 0.00 57.00 55.91 2dax n GLN 104 Cb 0.82 -1.09 0.76 0.00 -4.06 0.00 0.00 30.24 26.67 2dax n GLN 104 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2dax h THR 105 N 0.00 0.23 -0.66 1.69 1.03 -1.61 0.76 112.91 114.34 2dax h THR 105 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.35 2dax h THR 105 Cb 0.00 0.24 -0.03 0.00 -1.07 0.00 0.00 68.15 67.29 2dax h THR 105 CO 0.00 0.00 0.21 -0.61 -0.01 0.00 0.00 175.52 175.11 2dax h GLN 106 N 0.00 1.03 -0.19 0.00 5.75 -1.40 0.14 115.11 120.44 2dax h GLN 106 Ca 0.69 -0.22 -0.12 0.00 -0.15 0.00 0.00 58.65 58.84 2dax h GLN 106 Cb 2.84 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 31.23 2dax h GLN 106 CO -0.01 0.90 -0.40 1.25 -2.65 0.00 0.00 178.83 177.92 2dax h LEU 107 N 0.96 0.45 0.21 -2.39 6.46 0.61 -3.01 115.31 118.60 2dax h LEU 107 Ca 0.21 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2dax h LEU 107 Cb 0.30 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2dax h LEU 107 CO -0.01 0.81 -0.10 0.78 -0.62 0.00 0.00 178.44 179.30 2dax h ASN 108 N 0.36 -0.23 -1.30 1.25 2.35 -1.17 -1.57 115.58 115.26 2dax h ASN 108 Ca 0.03 -0.23 0.39 0.00 -0.55 0.00 0.00 56.30 55.94 2dax h ASN 108 Cb 0.86 0.06 -0.10 0.00 0.05 0.00 0.00 38.32 39.20 2dax h ASN 108 CO 0.07 0.30 0.87 0.74 -1.65 0.00 0.00 177.43 177.76 2dax h THR 109 N -0.97 0.28 0.00 2.81 2.02 -0.79 -0.30 112.91 115.95 2dax h THR 109 Ca -0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 2dax h THR 109 Cb 0.45 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2dax h THR 109 CO 0.05 0.03 -0.09 -0.78 0.37 0.00 0.00 175.52 175.09 2dax h ASP 110 N 0.14 0.00 -0.76 4.18 1.82 -1.56 -3.20 116.42 117.04 2dax h ASP 110 Ca 0.72 -0.69 0.09 0.00 -0.39 0.00 0.00 57.03 56.76 2dax h ASP 110 Cb 2.37 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 42.28 2dax h ASP 110 CO -0.25 0.90 -0.38 -0.11 -1.61 0.00 0.00 179.24 177.79 2dax n LEU 111 N -4.64 -0.67 0.03 2.28 7.94 -0.15 0.43 117.00 122.22 2dax n LEU 111 Ca -0.09 1.33 -0.12 0.00 -1.11 0.00 0.00 56.01 56.03 2dax n LEU 111 Cb 0.37 -0.23 -0.07 0.00 0.53 0.00 0.00 43.42 44.02 2dax n LEU 111 CO 0.24 -1.13 0.87 0.74 -1.11 0.00 0.00 177.39 177.00 2dax h THR 112 N 0.00 1.00 -0.54 1.96 2.02 -1.64 -3.07 112.91 112.63 2dax h THR 112 Ca 0.18 -0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.44 2dax h THR 112 Cb 0.37 0.98 -0.10 0.00 -1.74 0.00 0.00 68.15 67.66 2dax h THR 112 CO -0.73 0.00 -0.47 0.00 0.37 0.00 0.00 175.52 174.69 2dax h ALA 113 N 1.01 -0.45 -0.72 6.16 0.00 -0.02 -0.53 119.26 124.71 2dax h ALA 113 Ca 0.01 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2dax h ALA 113 Cb 0.00 1.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 2dax h ALA 113 CO -0.01 -0.89 -0.21 0.34 0.00 0.00 0.00 179.25 178.48 2dax n PHE 114 N -5.39 0.18 0.15 0.00 7.35 -0.29 0.13 117.46 119.59 2dax n PHE 114 Ca 0.00 0.88 -0.13 0.00 -0.76 0.00 0.00 57.45 57.44 2dax n PHE 114 Cb 0.34 -0.87 -0.08 0.00 0.35 0.00 0.00 39.48 39.23 2dax n PHE 114 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dax h LEU 115 N 0.00 -0.34 -1.37 -2.13 3.38 -1.21 -2.80 115.31 110.83 2dax h LEU 115 Ca 0.31 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2dax h LEU 115 Cb 0.49 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2dax h LEU 115 CO -0.73 0.04 0.61 1.56 0.09 0.00 0.00 178.44 180.01 2dax h GLN 116 N -0.77 0.00 0.05 1.13 4.20 0.56 0.13 115.11 120.41 2dax h GLN 116 Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2dax h GLN 116 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2dax h GLN 116 CO 0.07 0.00 -0.02 0.87 -0.67 0.00 0.00 178.83 179.07 2dax h LYS 117 N 0.00 -0.07 0.00 1.46 6.56 -0.55 -3.46 116.57 120.52 2dax h LYS 117 Ca 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 2dax h LYS 117 Cb 1.30 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.98 2dax h LYS 117 CO -0.00 -0.04 -0.51 -2.39 -2.06 0.00 0.00 179.45 174.45 2dax n HIS 118 N -3.27 0.00 -2.09 -1.35 1.44 -0.71 -4.86 115.22 104.38 2dax n HIS 118 Ca -0.01 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.35 2dax n HIS 118 Cb 0.03 -0.25 -0.04 0.00 0.12 0.00 0.00 29.99 29.85 2dax n HIS 118 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2dax s HIS 120 N 9.08 -1.31 0.00 0.00 5.04 -1.23 -3.44 115.29 123.43 2dax s HIS 120 Ca 0.66 1.05 0.00 0.00 -1.54 0.00 0.00 55.06 55.23 2dax s HIS 120 Cb -0.10 0.21 0.00 0.00 0.04 0.00 0.00 32.58 32.73 2dax s HIS 120 CO 0.12 -0.90 0.00 0.41 -2.34 0.00 0.00 174.74 172.03 2dax n GLY 121 N 5.39 1.73 3.58 1.59 0.00 -1.26 -5.10 105.19 111.13 2dax n GLY 121 Ca -0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2dax n GLY 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dax s ASP 122 N -0.06 3.63 -0.47 1.61 1.01 -1.26 -4.42 116.67 116.71 2dax s ASP 122 Ca 0.00 -1.33 -0.27 0.00 0.71 0.00 0.00 52.55 51.66 2dax s ASP 122 Cb 0.00 -0.34 -0.04 0.00 1.01 0.00 0.00 42.92 43.54 2dax s ASP 122 CO 0.00 -0.42 2.12 0.68 0.21 0.00 0.00 175.17 177.76 2dax s VAL 123 N -2.77 3.19 -0.61 -1.27 -7.23 -1.26 -4.89 120.40 105.56 2dax s VAL 123 Ca 0.34 0.14 0.05 0.00 -1.81 0.00 0.00 61.98 60.70 2dax s VAL 123 Cb 0.08 -3.41 0.17 0.00 0.56 0.00 0.00 36.38 33.78 2dax s VAL 123 CO 0.17 -0.36 0.44 0.00 -0.31 0.00 0.00 175.10 175.03 2dax n ILE 125 N 2.30 1.46 -0.07 0.00 2.08 -1.26 -4.37 119.36 119.50 2dax n ILE 125 Ca 0.22 0.13 -0.08 0.00 0.56 0.00 0.00 62.75 63.58 2dax n ILE 125 Cb 0.39 -2.29 -0.02 0.00 -0.75 0.00 0.00 39.64 36.97 2dax n ILE 125 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2dax h LEU 126 N -1.00 -0.86 -1.70 1.39 3.38 -2.00 0.47 115.31 114.99 2dax h LEU 126 Ca -0.11 0.16 0.51 0.00 0.09 0.00 0.00 57.88 58.52 2dax h LEU 126 Cb 0.77 0.41 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 2dax h LEU 126 CO -0.07 -0.29 1.20 0.59 0.09 0.00 0.00 178.44 179.96 2dax n ASN 127 N -5.39 0.05 0.06 -0.43 4.13 -1.26 0.22 115.26 112.63 2dax n ASN 127 Ca -0.00 1.01 -0.20 0.00 1.68 0.00 0.00 54.58 57.06 2dax n ASN 127 Cb 0.31 -0.50 -0.13 0.00 -1.54 0.00 0.00 39.78 37.92 2dax n ASN 127 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dax h ALA 128 N 1.05 -0.02 -0.33 5.41 0.00 -1.10 -3.16 119.26 121.11 2dax h ALA 128 Ca 0.86 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2dax h ALA 128 Cb 3.29 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 21.15 2dax h ALA 128 CO -0.11 0.49 0.04 1.79 0.00 0.00 0.00 179.25 181.45 2dax h THR 129 N -0.04 1.24 0.00 0.00 1.35 0.27 -1.59 112.91 114.14 2dax h THR 129 Ca -0.14 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2dax h THR 129 Cb 1.67 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2dax h THR 129 CO 0.18 0.29 0.00 -0.33 -0.25 0.00 0.00 175.52 175.41 2dax h GLU 130 N 0.38 0.00 0.00 4.72 4.39 -1.07 -1.13 114.58 121.87 2dax h GLU 130 Ca 0.10 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.59 2dax h GLU 130 Cb 0.38 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 2dax h GLU 130 CO 0.01 0.00 -1.81 1.87 -1.16 0.00 0.00 179.01 177.92 2dax n TRP 131 N -2.37 0.56 0.01 4.33 -0.00 -0.88 -4.07 117.44 115.02 2dax n TRP 131 Ca -0.00 0.19 -0.18 0.00 -0.00 0.00 0.00 57.50 57.50 2dax n TRP 131 Cb 0.11 -0.98 -0.14 0.00 -0.00 0.00 0.00 31.31 30.30 2dax n TRP 131 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2dax h VAL 132 N 0.00 1.60 -0.41 5.87 2.07 -0.30 -1.98 116.25 123.10 2dax h VAL 132 Ca -0.26 -2.48 0.12 0.00 0.82 0.00 0.00 66.70 64.90 2dax h VAL 132 Cb 1.72 3.26 -0.02 0.00 -1.52 0.00 0.00 31.29 34.73 2dax h VAL 132 CO 0.04 0.69 0.32 0.08 0.02 0.00 0.00 177.57 178.71 2dax h ARG 133 N -0.56 0.00 0.00 1.57 0.11 -1.46 0.61 114.38 114.65 2dax h ARG 133 Ca -0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.98 2dax h ARG 133 Cb 1.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.53 2dax h ARG 133 CO 0.11 0.00 -0.21 1.49 0.10 0.00 0.00 179.97 181.46 2dax h GLU 134 N 0.00 0.00 -0.56 0.08 4.57 -1.70 -3.39 114.58 113.58 2dax h GLU 134 Ca 0.20 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.47 2dax h GLU 134 Cb 0.84 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.35 2dax h GLU 134 CO -0.00 0.00 0.16 0.45 -1.18 0.00 0.00 179.01 178.43 2dax h HIS 135 N -0.54 0.26 0.00 0.92 3.86 -1.29 -3.07 115.15 115.29 2dax h HIS 135 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2dax h HIS 135 Cb 0.21 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2dax h HIS 135 CO -0.09 0.03 0.00 0.00 0.86 0.00 0.00 177.93 178.73 2dax n ALA 136 N -2.51 0.00 -0.33 2.45 0.00 0.21 0.15 120.51 120.49 2dax n ALA 136 Ca 0.07 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.79 2dax n ALA 136 Cb 0.27 0.32 0.53 0.00 0.00 0.00 0.00 19.45 20.57 2dax n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dax h SER 137 N 0.00 0.42 -0.22 0.00 4.64 -1.72 0.34 113.55 117.01 2dax h SER 137 Ca 0.00 0.22 0.03 0.00 -0.47 0.00 0.00 61.79 61.57 2dax h SER 137 Cb 0.00 0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 2dax h SER 137 CO 0.00 -0.28 0.03 1.23 -0.87 0.00 0.00 176.83 176.94 2dax h GLY 138 N 0.17 0.23 0.85 -0.77 0.00 0.14 -2.94 103.07 100.75 2dax h GLY 138 Ca 0.79 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 48.11 2dax h GLY 138 CO -0.68 -0.02 0.04 -0.97 0.00 0.00 0.00 176.54 174.91 2dax h TYR 139 N 0.11 0.18 -2.50 5.60 0.05 0.46 -3.41 116.97 117.46 2dax h TYR 139 Ca 0.10 -0.02 -0.56 0.00 0.05 0.00 0.00 58.73 58.30 2dax h TYR 139 Cb 0.11 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 2dax h TYR 139 CO -0.16 0.30 1.22 0.08 -1.05 0.00 0.00 178.16 178.55 2dax s VAL 140 N -5.44 3.39 0.05 -2.88 1.01 -0.73 -4.96 120.40 110.84 2dax s VAL 140 Ca -0.14 0.44 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 2dax s VAL 140 Cb 0.06 -3.37 0.05 0.00 0.00 0.00 0.00 36.38 33.11 2dax s VAL 140 CO 0.69 -0.14 0.48 -0.94 0.00 0.00 0.00 175.10 175.20 2dax s SER 141 N 4.94 -0.39 -1.31 3.32 1.04 -1.26 -4.86 113.70 115.18 2dax s SER 141 Ca 0.81 0.12 -0.13 0.00 0.48 0.00 0.00 55.95 57.22 2dax s SER 141 Cb -0.32 0.47 0.12 0.00 0.10 0.00 0.00 66.02 66.39 2dax s SER 141 CO 0.33 -0.70 0.49 -1.14 0.98 0.00 0.00 173.24 173.20 2dax n ARG 142 N 0.43 -2.54 0.02 4.02 0.63 -1.26 -4.82 116.66 113.14 2dax n ARG 142 Ca -0.18 0.29 -0.10 0.00 -0.92 0.00 0.00 57.85 56.93 2dax n ARG 142 Cb 0.60 -4.93 -0.04 0.00 0.45 0.00 0.00 32.46 28.55 2dax n ARG 142 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2dax h ASP 143 N -0.87 -0.44 -7.10 6.15 3.58 -1.93 -3.45 116.42 112.37 2dax h ASP 143 Ca -0.43 0.08 -0.61 0.00 0.42 0.00 0.00 57.03 56.48 2dax h ASP 143 Cb 1.28 0.20 -0.36 0.00 1.72 0.00 0.00 39.33 42.18 2dax h ASP 143 CO 0.59 -0.19 -0.89 1.07 -2.88 0.00 0.00 179.24 176.93 2dax n THR 144 N -5.29 -0.12 -1.23 2.25 5.66 -1.26 -4.81 114.28 109.49 2dax n THR 144 Ca -0.04 -0.06 -0.36 0.00 -3.05 0.00 0.00 64.05 60.54 2dax n THR 144 Cb 0.20 -0.55 0.07 0.00 -1.55 0.00 0.00 70.33 68.51 2dax n THR 144 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2dax n SER 145 N -2.43 -1.35 -0.04 1.09 2.88 -1.26 -4.96 113.62 107.54 2dax n SER 145 Ca 0.06 0.57 -0.07 0.00 -1.33 0.00 0.00 58.87 58.11 2dax n SER 145 Cb 0.47 -1.20 -0.04 0.00 -0.75 0.00 0.00 64.21 62.69 2dax n SER 145 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dax n SER 146 N -0.26 2.57 -4.94 -3.46 3.41 -1.26 -5.04 113.62 104.64 2dax n SER 146 Ca 0.10 -0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.45 2dax n SER 146 Cb 0.50 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 2dax n SER 146 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dax s SER 147 N -5.12 6.36 -0.28 4.04 1.04 -1.26 -5.10 113.70 113.39 2dax s SER 147 Ca -0.12 0.34 -0.01 0.00 0.48 0.00 0.00 55.95 56.64 2dax s SER 147 Cb 0.04 -1.98 0.13 0.00 0.10 0.00 0.00 66.02 64.30 2dax s SER 147 CO 0.19 -0.07 0.28 -0.83 0.98 0.00 0.00 173.24 173.79 2dax s GLY 148 N -3.40 -0.11 0.18 7.32 0.00 -1.26 -5.01 107.32 105.04 2dax s GLY 148 Ca 0.38 -0.23 -0.06 0.00 0.00 0.00 0.00 44.72 44.81 2dax s GLY 148 CO 0.30 2.58 1.53 -0.56 0.00 0.00 0.00 173.10 176.95 2dax h PRO 149 N 8.27 0.73 -6.19 2.90 0.13 -2.06 -3.45 132.00 132.33 2dax h PRO 149 Ca -0.14 -0.38 -0.50 0.00 -0.87 0.00 0.00 66.00 64.10 2dax h PRO 149 Cb 1.08 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 2dax h PRO 149 CO 0.33 1.00 -0.50 -1.12 -0.23 0.00 0.00 178.00 177.48 2dax s SER 150 N -6.85 5.36 -0.18 1.44 0.01 -1.26 -5.12 113.70 107.11 2dax s SER 150 Ca -0.09 -0.37 -0.04 0.00 1.31 0.00 0.00 55.95 56.75 2dax s SER 150 Cb 0.12 -1.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.12 2dax s SER 150 CO 0.85 -0.16 -0.02 -0.55 0.41 0.00 0.00 173.24 173.77 2dax s SER 151 N -3.89 4.78 0.00 2.44 0.15 -1.26 -5.22 113.70 110.70 2dax s SER 151 Ca 0.36 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2dax s SER 151 Cb -0.07 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2dax s SER 151 CO 0.25 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.42