#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dax s SER 2 N 0.00 3.63 0.05 1.61 0.15 -1.26 -5.11 113.70 112.77 2dax s SER 2 Ca 0.00 -0.53 -0.04 0.00 0.70 0.00 0.00 55.95 56.08 2dax s SER 2 Cb 0.00 -1.58 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 2dax s SER 2 CO 0.00 0.01 0.06 -0.44 1.20 0.00 0.00 173.24 174.07 2dax s SER 3 N 1.27 0.27 0.00 5.45 0.01 -1.26 -4.88 113.70 114.56 2dax s SER 3 Ca 0.03 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2dax s SER 3 Cb -0.14 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2dax s SER 3 CO -0.07 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2dax n GLY 4 N 0.51 3.39 0.06 3.44 0.00 -1.26 -4.87 105.19 106.46 2dax n GLY 4 Ca -0.17 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 2dax n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dax n SER 5 N 0.16 1.57 -4.76 1.61 2.88 -1.26 -4.95 113.62 108.87 2dax n SER 5 Ca 0.00 0.58 -0.36 0.00 -1.33 0.00 0.00 58.87 57.76 2dax n SER 5 Cb 0.00 -0.82 0.03 0.00 -0.75 0.00 0.00 64.21 62.67 2dax n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dax s SER 6 N -5.44 5.28 -0.91 -3.46 0.01 -1.26 -4.82 113.70 103.10 2dax s SER 6 Ca -0.13 2.35 -0.26 0.00 1.31 0.00 0.00 55.95 59.21 2dax s SER 6 Cb 0.02 -2.60 -0.18 0.00 0.21 0.00 0.00 66.02 63.47 2dax s SER 6 CO 0.19 -1.53 2.29 0.61 0.41 0.00 0.00 173.24 175.22 2dax n GLY 7 N 0.44 -0.29 0.33 3.44 0.00 -1.26 -4.70 105.19 103.15 2dax n GLY 7 Ca 0.13 0.22 0.21 0.00 0.00 0.00 0.00 46.02 46.59 2dax n GLY 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dax h GLU 8 N 12.28 0.00 0.07 1.61 9.09 -1.93 -2.57 114.58 133.11 2dax h GLU 8 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 2dax h GLU 8 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 2dax h GLU 8 CO 1.00 0.00 -0.03 0.37 0.05 0.00 0.00 179.01 180.40 2dax h GLN 9 N 0.00 -0.09 0.00 1.06 4.15 -1.92 -0.94 115.11 117.37 2dax h GLN 9 Ca -0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2dax h GLN 9 Cb 0.08 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 2dax h GLN 9 CO 0.00 0.43 -0.04 0.00 -1.93 0.00 0.00 178.83 177.29 2dax h ALA 10 N 0.17 1.85 0.17 3.38 0.00 -1.80 -2.39 119.26 120.63 2dax h ALA 10 Ca -0.01 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 2dax h ALA 10 Cb 0.56 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.38 2dax h ALA 10 CO 0.02 0.05 -1.26 0.93 0.00 0.00 0.00 179.25 178.98 2dax h GLU 11 N 0.00 0.56 -0.80 0.00 5.08 -1.48 -3.21 114.58 114.72 2dax h GLU 11 Ca -0.00 -0.82 0.19 0.00 -1.00 0.00 0.00 59.36 57.73 2dax h GLU 11 Cb 0.07 0.29 -0.13 0.00 0.50 0.00 0.00 28.75 29.48 2dax h GLU 11 CO 0.01 1.38 0.10 0.00 -1.00 0.00 0.00 179.01 179.50 2dax h ALA 12 N 0.21 0.98 0.03 3.43 0.00 -0.63 0.23 119.26 123.52 2dax h ALA 12 Ca -0.21 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dax h ALA 12 Cb 1.96 0.37 0.00 0.00 0.00 0.00 0.00 17.79 20.11 2dax h ALA 12 CO 0.24 -0.43 -0.01 1.96 0.00 0.00 0.00 179.25 181.01 2dax h GLN 13 N 0.16 -0.04 -0.98 0.00 4.20 -1.64 -3.20 115.11 113.60 2dax h GLN 13 Ca 0.46 0.00 0.16 0.00 0.06 0.00 0.00 58.65 59.33 2dax h GLN 13 Cb 0.86 0.01 -0.16 0.00 0.30 0.00 0.00 27.48 28.49 2dax h GLN 13 CO -0.65 -0.03 -0.38 1.25 -0.67 0.00 0.00 178.83 178.36 2dax h LEU 14 N -0.06 -1.40 -0.94 1.46 5.85 -1.51 0.14 115.31 118.86 2dax h LEU 14 Ca -0.00 0.31 0.14 0.00 0.84 0.00 0.00 57.88 59.16 2dax h LEU 14 Cb 0.03 0.74 -0.15 0.00 0.37 0.00 0.00 40.66 41.66 2dax h LEU 14 CO 0.01 -0.29 -0.38 0.00 -0.34 0.00 0.00 178.44 177.44 2dax n ALA 15 N -3.47 -0.15 0.33 1.25 0.00 0.80 -1.01 120.51 118.26 2dax n ALA 15 Ca 0.10 0.92 -0.17 0.00 0.00 0.00 0.00 53.44 54.30 2dax n ALA 15 Cb 0.41 -0.40 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 2dax n ALA 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dax h GLU 16 N 0.00 -0.96 -0.85 0.00 4.57 -0.72 -2.50 114.58 114.13 2dax h GLU 16 Ca 0.31 0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.65 2dax h GLU 16 Cb 0.55 0.22 -0.12 0.00 -0.16 0.00 0.00 28.75 29.24 2dax h GLU 16 CO -0.93 -0.64 -0.52 -0.07 -1.18 0.00 0.00 179.01 175.67 2dax h LEU 17 N -0.99 -1.88 -0.93 1.64 3.38 -0.83 0.59 115.31 116.29 2dax h LEU 17 Ca -0.08 0.30 0.25 0.00 0.09 0.00 0.00 57.88 58.44 2dax h LEU 17 Cb 0.82 0.85 -0.13 0.00 0.09 0.00 0.00 40.66 42.29 2dax h LEU 17 CO 0.03 -0.28 0.42 -0.78 0.09 0.00 0.00 178.44 177.92 2dax h ASP 18 N -0.09 0.34 -0.26 -0.43 3.58 -0.98 0.17 116.42 118.75 2dax h ASP 18 Ca 0.19 0.17 -0.13 0.00 0.42 0.00 0.00 57.03 57.68 2dax h ASP 18 Cb 0.50 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 2dax h ASP 18 CO -0.86 -0.05 -0.33 0.25 -2.88 0.00 0.00 179.24 175.37 2dax h LEU 19 N 0.36 0.74 0.13 2.28 5.85 0.46 -3.27 115.31 121.86 2dax h LEU 19 Ca 0.60 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2dax h LEU 19 Cb 1.22 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 2dax h LEU 19 CO -0.57 1.09 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.22 2dax h LEU 20 N 0.41 -0.99 -0.96 2.25 3.38 0.23 0.33 115.31 119.96 2dax h LEU 20 Ca 0.03 0.11 0.30 0.00 0.09 0.00 0.00 57.88 58.41 2dax h LEU 20 Cb 0.92 0.37 -0.17 0.00 0.09 0.00 0.00 40.66 41.87 2dax h LEU 20 CO 0.08 -0.43 0.24 0.00 0.09 0.00 0.00 178.44 178.43 2dax h ALA 21 N 0.04 1.49 0.10 1.53 0.00 -1.28 0.55 119.26 121.67 2dax h ALA 21 Ca 0.03 0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.95 2dax h ALA 21 Cb 0.60 0.42 0.01 0.00 0.00 0.00 0.00 17.79 18.82 2dax h ALA 21 CO -0.20 -0.63 -1.16 0.77 0.00 0.00 0.00 179.25 178.03 2dax h SER 22 N 0.09 0.58 -0.62 0.00 0.02 -1.40 -3.24 113.55 108.96 2dax h SER 22 Ca 0.65 -0.55 0.12 0.00 -0.84 0.00 0.00 61.79 61.17 2dax h SER 22 Cb 1.46 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.78 2dax h SER 22 CO -0.79 1.39 0.42 0.24 -1.14 0.00 0.00 176.83 176.95 2dax h MET 23 N 0.17 0.34 -3.04 3.45 2.07 0.40 -3.15 114.93 115.17 2dax h MET 23 Ca -0.14 -0.02 -0.69 0.00 -2.07 0.00 0.00 59.70 56.79 2dax h MET 23 Cb 1.85 -0.08 -0.37 0.00 -1.87 0.00 0.00 31.60 31.14 2dax h MET 23 CO 0.20 0.23 -0.14 1.19 1.07 0.00 0.00 176.91 179.46 2dax n PHE 24 N -4.46 3.79 -0.12 -0.22 3.01 -0.31 -4.88 117.46 114.27 2dax n PHE 24 Ca 0.11 -3.98 -0.13 0.00 1.01 0.00 0.00 57.45 54.45 2dax n PHE 24 Cb 0.44 -0.99 -0.03 0.00 -0.01 0.00 0.00 39.48 38.90 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 5.52 0.89 -6.13 -1.08 0.13 -1.72 -3.44 132.00 126.18 2dax h PRO 25 Ca 0.17 -0.47 -0.52 0.00 -0.87 0.00 0.00 66.00 64.32 2dax h PRO 25 Cb 0.75 0.02 0.25 0.00 0.13 0.00 0.00 31.00 32.14 2dax h PRO 25 CO 0.89 1.12 -2.03 0.41 -0.23 0.00 0.00 178.00 178.16 2dax n GLY 26 N 0.14 -3.60 3.87 1.56 0.00 -1.26 -4.93 105.19 100.97 2dax n GLY 26 Ca -0.03 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 2dax n GLY 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dax s GLU 27 N -2.27 3.75 -1.31 1.61 -1.05 -1.26 -3.90 118.70 114.26 2dax s GLU 27 Ca 0.41 0.64 -0.16 0.00 -0.15 0.00 0.00 54.97 55.72 2dax s GLU 27 Cb -0.06 -2.24 0.16 0.00 -0.44 0.00 0.00 34.13 31.54 2dax s GLU 27 CO 0.74 -0.26 0.44 0.09 0.95 0.00 0.00 175.26 177.22 2dax n ASN 28 N -1.87 -1.87 -0.03 0.83 3.02 -1.26 -4.77 115.26 109.30 2dax n ASN 28 Ca 0.04 -0.69 -0.18 0.00 -0.03 0.00 0.00 54.58 53.73 2dax n ASN 28 Cb 0.54 -1.64 -0.14 0.00 -0.61 0.00 0.00 39.78 37.94 2dax n ASN 28 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dax n GLU 29 N -3.63 0.71 -3.84 3.52 -0.58 -1.25 -4.60 120.64 110.97 2dax n GLU 29 Ca 0.07 0.23 -0.12 0.00 -0.42 0.00 0.00 57.16 56.92 2dax n GLU 29 Cb 0.47 -1.67 -0.12 0.00 -0.57 0.00 0.00 31.44 29.55 2dax n GLU 29 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2dax s LEU 30 N -6.67 1.50 -0.04 -4.62 0.20 -1.26 0.40 118.68 108.20 2dax s LEU 30 Ca -0.21 0.15 -0.01 0.00 0.69 0.00 0.00 54.13 54.75 2dax s LEU 30 Cb 0.07 0.52 0.03 0.00 -0.43 0.00 0.00 46.19 46.38 2dax s LEU 30 CO 0.75 -0.13 0.04 -0.63 -0.29 0.00 0.00 176.35 176.09 2dax s ILE 31 N -0.30 -0.01 -0.55 6.68 1.09 -0.38 -4.99 121.20 122.73 2dax s ILE 31 Ca -0.04 0.31 -0.14 0.00 -1.10 0.00 0.00 60.65 59.69 2dax s ILE 31 Cb -0.03 -0.19 0.14 0.00 -1.06 0.00 0.00 42.46 41.32 2dax s ILE 31 CO 0.00 0.17 0.48 -0.69 -0.10 0.00 0.00 174.94 174.80 2dax s VAL 32 N 1.80 4.93 0.00 2.92 1.01 -1.26 -1.35 120.40 128.45 2dax s VAL 32 Ca 0.01 -1.71 -0.24 0.00 0.00 0.00 0.00 61.98 60.04 2dax s VAL 32 Cb -0.12 -4.17 -0.18 0.00 0.00 0.00 0.00 36.38 31.91 2dax s VAL 32 CO -0.03 -0.86 1.30 0.78 0.00 0.00 0.00 175.10 176.29 2dax h ASN 33 N 8.62 0.15 -2.42 3.32 2.35 -1.95 -3.39 115.58 122.25 2dax h ASN 33 Ca -0.23 -0.48 -0.60 0.00 -0.55 0.00 0.00 56.30 54.44 2dax h ASN 33 Cb 1.08 -0.04 -0.12 0.00 0.05 0.00 0.00 38.32 39.29 2dax h ASN 33 CO 0.95 0.60 0.82 -1.81 -1.65 0.00 0.00 177.43 176.34 2dax s ASP 34 N -5.86 6.22 -0.17 5.81 1.01 -1.10 -4.84 116.67 117.75 2dax s ASP 34 Ca -0.15 -0.89 -0.17 0.00 0.71 0.00 0.00 52.55 52.05 2dax s ASP 34 Cb 0.03 -2.48 -0.23 0.00 1.01 0.00 0.00 42.92 41.25 2dax s ASP 34 CO 0.71 -1.57 0.34 1.56 0.21 0.00 0.00 175.17 176.41 2dax h GLN 35 N 9.71 0.11 -0.97 8.23 7.50 -1.88 -3.40 115.11 134.41 2dax h GLN 35 Ca -0.22 -0.18 0.09 0.00 0.50 0.00 0.00 58.65 58.84 2dax h GLN 35 Cb 1.06 0.07 -0.12 0.00 0.05 0.00 0.00 27.48 28.53 2dax h GLN 35 CO 1.23 1.09 -0.57 -0.07 -1.50 0.00 0.00 178.83 179.01 2dax h LEU 36 N -0.63 -2.09 -0.85 1.46 -0.00 -1.98 0.39 115.31 111.63 2dax h LEU 36 Ca -0.34 0.32 0.25 0.00 -0.00 0.00 0.00 57.88 58.11 2dax h LEU 36 Cb 1.54 0.93 -0.16 0.00 -0.00 0.00 0.00 40.66 42.98 2dax h LEU 36 CO -0.08 -0.24 0.08 0.00 -0.00 0.00 0.00 178.44 178.19 2dax n ALA 37 N -3.26 0.49 0.07 1.53 0.00 -1.26 -0.67 120.51 117.41 2dax n ALA 37 Ca 0.02 0.90 -0.03 0.00 0.00 0.00 0.00 53.44 54.33 2dax n ALA 37 Cb 0.28 -0.69 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 0.00 -0.83 0.00 2.07 -0.46 -2.35 116.25 114.68 2dax h VAL 38 Ca 0.54 -0.16 0.22 0.00 0.82 0.00 0.00 66.70 68.13 2dax h VAL 38 Cb 1.18 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.79 2dax h VAL 38 CO -0.77 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 176.81 2dax n ALA 39 N -2.22 0.40 0.06 1.67 0.00 -0.52 0.76 120.51 120.66 2dax n ALA 39 Ca -0.02 0.89 -0.13 0.00 0.00 0.00 0.00 53.44 54.18 2dax n ALA 39 Cb 0.08 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 2dax n ALA 39 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dax h GLU 40 N 0.00 -0.11 -0.22 0.00 4.39 -0.98 -1.34 114.58 116.33 2dax h GLU 40 Ca 0.49 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.25 2dax h GLU 40 Cb 0.99 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.61 2dax h GLU 40 CO -0.79 0.08 -0.11 1.25 -1.16 0.00 0.00 179.01 178.28 2dax h LEU 41 N -0.29 -0.37 0.08 1.33 5.85 0.92 0.11 115.31 122.94 2dax h LEU 41 Ca -0.01 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2dax h LEU 41 Cb 0.24 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2dax h LEU 41 CO 0.02 -0.15 -0.17 0.11 -0.34 0.00 0.00 178.44 177.91 2dax h LYS 42 N -0.09 -0.31 -0.75 1.25 1.57 -0.82 -2.44 116.57 114.99 2dax h LYS 42 Ca 0.12 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.00 2dax h LYS 42 Cb 0.27 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 2dax h LYS 42 CO -0.27 -0.21 0.41 0.22 -0.57 0.00 0.00 179.45 179.03 2dax h ASP 43 N -0.32 0.59 -0.07 0.86 1.82 -0.87 -2.93 116.42 115.50 2dax h ASP 43 Ca 0.03 0.04 0.02 0.00 -0.39 0.00 0.00 57.03 56.73 2dax h ASP 43 Cb 0.35 -0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.25 2dax h ASP 43 CO -0.10 0.35 -0.32 0.00 -1.61 0.00 0.00 179.24 177.56 2dax h ILE 45 N -0.35 0.03 -0.60 0.00 2.04 -1.31 1.37 117.51 118.70 2dax h ILE 45 Ca 0.02 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 2dax h ILE 45 Cb 0.40 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2dax h ILE 45 CO -0.25 0.00 0.11 -0.33 0.00 0.00 0.00 178.15 177.68 2dax h GLU 46 N 0.02 0.95 0.00 2.37 5.08 -1.17 -1.98 114.58 119.85 2dax h GLU 46 Ca 0.64 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2dax h GLU 46 Cb 1.42 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2dax h GLU 46 CO -0.88 0.87 -0.00 1.63 -1.00 0.00 0.00 179.01 179.63 2dax n LYS 47 N -4.24 0.06 -3.79 2.33 5.02 0.42 -4.92 118.16 113.04 2dax n LYS 47 Ca 0.04 0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 56.12 2dax n LYS 47 Cb 0.26 -1.56 0.04 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.66 -5.57 -3.41 1.97 5.02 0.16 -4.97 118.16 109.70 2dax n LYS 48 Ca 0.07 0.64 -0.07 0.00 -2.02 0.00 0.00 58.31 56.92 2dax n LYS 48 Cb 0.36 -5.42 -0.07 0.00 -0.02 0.00 0.00 35.03 29.88 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 -3.45 -0.68 -1.22 -0.18 -1.32 -1.23 -5.01 115.64 102.55 2dax s THR 49 Ca 0.38 -0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.67 2dax s THR 49 Cb -0.19 -0.81 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 2dax s THR 49 CO 0.81 -0.06 1.91 0.23 -2.21 0.00 0.00 174.62 175.31 2dax n MET 50 N 5.38 2.46 -4.22 7.08 2.81 -1.26 -4.80 117.12 124.57 2dax n MET 50 Ca -0.05 -2.72 -0.27 0.00 -1.81 0.00 0.00 57.70 52.85 2dax n MET 50 Cb 0.50 -3.43 -0.17 0.00 -0.71 0.00 0.00 33.22 29.41 2dax n MET 50 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2dax s GLU 51 N 4.72 1.91 0.00 0.03 -1.05 -1.26 -4.94 118.70 118.11 2dax s GLU 51 Ca 0.57 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.96 2dax s GLU 51 Cb 0.06 -1.74 0.00 0.00 -0.44 0.00 0.00 34.13 32.01 2dax s GLU 51 CO 0.07 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.54 2dax n GLY 52 N 4.48 1.87 3.39 -3.83 0.00 -1.26 -4.97 105.19 104.86 2dax n GLY 52 Ca -0.17 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 -0.92 -1.14 1.61 5.12 -1.26 -4.73 116.66 115.34 2dax n ARG 53 Ca 0.00 0.06 -0.27 0.00 -1.93 0.00 0.00 57.85 55.71 2dax n ARG 53 Cb 0.00 -2.21 0.07 0.00 -1.16 0.00 0.00 32.46 29.17 2dax n ARG 53 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2dax n SER 54 N -1.30 6.80 -3.47 0.55 7.64 -1.26 -4.82 113.62 117.77 2dax n SER 54 Ca -0.09 -3.49 0.01 0.00 1.01 0.00 0.00 58.87 56.31 2dax n SER 54 Cb 0.34 -0.98 -0.05 0.00 -1.01 0.00 0.00 64.21 62.51 2dax n SER 54 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dax s SER 55 N -1.04 -0.36 0.49 6.43 0.01 -1.26 -5.06 113.70 112.91 2dax s SER 55 Ca 0.51 0.53 -0.18 0.00 1.31 0.00 0.00 55.95 58.12 2dax s SER 55 Cb 0.41 1.31 -0.08 0.00 0.21 0.00 0.00 66.02 67.86 2dax s SER 55 CO 0.00 -0.08 0.99 -0.54 0.41 0.00 0.00 173.24 174.02 2dax s LYS 56 N 1.81 3.95 -0.80 12.44 1.02 -1.26 -4.57 119.74 132.33 2dax s LYS 56 Ca -0.05 1.09 -0.26 0.00 0.02 0.00 0.00 55.97 56.77 2dax s LYS 56 Cb -0.04 -2.13 0.03 0.00 -0.52 0.00 0.00 37.83 35.17 2dax s LYS 56 CO -0.15 -0.27 1.42 0.08 -0.92 0.00 0.00 175.35 175.50 2dax s VAL 57 N -2.38 3.71 -0.19 3.17 1.01 -1.23 -4.74 120.40 119.76 2dax s VAL 57 Ca 0.62 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 2dax s VAL 57 Cb -0.11 -4.80 -0.05 0.00 0.00 0.00 0.00 36.38 31.42 2dax s VAL 57 CO 0.24 -1.73 0.27 -0.47 0.00 0.00 0.00 175.10 173.42 2dax s TYR 58 N 6.14 3.41 -0.26 5.22 5.04 -1.26 -3.02 117.35 132.62 2dax s TYR 58 Ca 0.43 0.49 -0.13 0.00 -2.44 0.00 0.00 57.07 55.42 2dax s TYR 58 Cb -0.07 -2.35 0.09 0.00 0.35 0.00 0.00 41.96 39.99 2dax s TYR 58 CO 0.09 0.16 0.63 -0.59 -1.34 0.00 0.00 175.55 174.49 2dax s PHE 59 N 0.76 -1.04 0.01 4.97 -0.71 -1.01 -2.71 117.98 118.24 2dax s PHE 59 Ca 0.14 2.02 -0.13 0.00 -1.04 0.00 0.00 56.93 57.93 2dax s PHE 59 Cb -0.13 0.60 -0.06 0.00 -1.21 0.00 0.00 43.02 42.22 2dax s PHE 59 CO 0.04 -0.53 0.39 0.99 -1.34 0.00 0.00 175.22 174.77 2dax s THR 60 N 1.91 5.08 -0.15 -4.49 2.01 -0.45 -2.15 115.64 117.39 2dax s THR 60 Ca -0.09 0.70 0.01 0.00 0.31 0.00 0.00 61.69 62.62 2dax s THR 60 Cb -0.07 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.77 2dax s THR 60 CO -0.18 0.51 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.45 2dax s ILE 61 N -1.16 2.46 -0.26 1.82 1.01 -0.72 -1.25 121.20 123.10 2dax s ILE 61 Ca 0.25 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 2dax s ILE 61 Cb -0.16 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2dax s ILE 61 CO 0.14 0.52 0.14 0.20 0.00 0.00 0.00 174.94 175.94 2dax s ASN 62 N 0.86 5.69 -0.18 3.58 0.01 0.16 -0.81 114.94 124.25 2dax s ASN 62 Ca -0.05 -0.06 0.01 0.00 -0.71 0.00 0.00 52.86 52.05 2dax s ASN 62 Cb -0.15 -2.04 0.03 0.00 0.41 0.00 0.00 41.25 39.50 2dax s ASN 62 CO -0.02 -0.02 -0.16 -0.04 -1.51 0.00 0.00 177.10 175.36 2dax s MET 63 N 1.54 2.59 -0.33 -0.60 -1.94 -1.01 -4.52 119.30 115.03 2dax s MET 63 Ca 0.07 -0.81 -0.28 0.00 -1.71 0.00 0.00 55.69 52.96 2dax s MET 63 Cb -0.15 -2.46 0.01 0.00 2.01 0.00 0.00 34.83 34.25 2dax s MET 63 CO 0.07 -0.29 1.01 -0.80 -0.01 0.00 0.00 175.02 175.01 2dax s ASN 64 N 1.34 6.83 0.03 3.03 -0.87 -1.26 -3.24 114.94 120.81 2dax s ASN 64 Ca 0.03 0.88 -0.10 0.00 -1.57 0.00 0.00 52.86 52.10 2dax s ASN 64 Cb -0.14 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 2dax s ASN 64 CO -0.11 -0.86 0.20 -0.76 -2.57 0.00 0.00 177.10 173.00 2dax s LEU 65 N 3.56 1.35 0.43 0.60 1.43 -1.23 -5.02 118.68 119.79 2dax s LEU 65 Ca 0.42 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.96 2dax s LEU 65 Cb -0.12 0.95 -0.08 0.00 0.03 0.00 0.00 46.19 46.97 2dax s LEU 65 CO 0.16 -0.53 1.19 -1.81 0.23 0.00 0.00 176.35 175.59 2dax s ASP 66 N -1.97 6.28 0.00 2.29 1.01 -1.26 -2.17 116.67 120.85 2dax s ASP 66 Ca -0.07 2.39 -0.01 0.00 0.71 0.00 0.00 52.55 55.57 2dax s ASP 66 Cb -0.02 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 2dax s ASP 66 CO -0.03 -0.85 -0.03 1.33 0.21 0.00 0.00 175.17 175.80 2dax n VAL 67 N -0.21 0.44 -3.87 -1.27 0.24 0.67 -4.65 118.33 109.69 2dax n VAL 67 Ca 0.06 0.08 0.01 0.00 -2.04 0.00 0.00 64.34 62.44 2dax n VAL 67 Cb 0.47 -1.57 0.01 0.00 -1.47 0.00 0.00 33.84 31.28 2dax n VAL 67 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2dax n SER 68 N -3.24 -0.67 -3.88 -1.34 2.88 -1.08 -4.88 113.62 101.41 2dax n SER 68 Ca -0.04 -1.21 -0.25 0.00 -1.33 0.00 0.00 58.87 56.05 2dax n SER 68 Cb 0.40 1.05 -0.06 0.00 -0.75 0.00 0.00 64.21 64.85 2dax n SER 68 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dax n ASP 69 N -0.70 0.25 -4.34 -3.46 9.92 -1.26 0.15 116.55 117.12 2dax n ASP 69 Ca 0.01 -0.96 -0.34 0.00 -0.53 0.00 0.00 54.79 52.97 2dax n ASP 69 Cb 0.29 -1.19 -0.08 0.00 -0.64 0.00 0.00 41.12 39.50 2dax n ASP 69 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2dax n GLU 70 N -3.74 -1.33 -4.00 -1.24 0.28 -1.26 -4.91 120.64 104.45 2dax n GLU 70 Ca -0.23 0.16 -0.09 0.00 -0.16 0.00 0.00 57.16 56.85 2dax n GLU 70 Cb 0.51 -4.16 -0.08 0.00 1.43 0.00 0.00 31.44 29.14 2dax n GLU 70 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2dax s LYS 71 N -7.22 0.92 0.44 3.44 -2.85 0.39 -5.07 119.74 109.80 2dax s LYS 71 Ca 0.31 -1.18 0.03 0.00 -1.00 0.00 0.00 55.97 54.14 2dax s LYS 71 Cb -0.18 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 2dax s LYS 71 CO 0.99 -0.28 0.05 0.00 0.10 0.00 0.00 175.35 176.21 2dax s MET 72 N -3.95 2.02 0.25 1.78 0.23 -1.26 -0.24 119.30 118.14 2dax s MET 72 Ca 0.13 -2.24 -0.06 0.00 -1.03 0.00 0.00 55.69 52.49 2dax s MET 72 Cb 0.06 -1.17 -0.02 0.00 -1.53 0.00 0.00 34.83 32.17 2dax s MET 72 CO -0.05 -0.34 0.36 0.00 -2.03 0.00 0.00 175.02 172.97 2dax s ALA 73 N -3.01 0.48 -0.48 3.16 0.00 -0.92 -4.81 121.76 116.18 2dax s ALA 73 Ca 0.19 -1.31 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 2dax s ALA 73 Cb 0.04 1.20 0.08 0.00 0.00 0.00 0.00 23.12 24.44 2dax s ALA 73 CO 0.10 -0.75 0.43 1.41 0.00 0.00 0.00 175.76 176.95 2dax s MET 74 N -3.85 2.99 -0.42 0.00 1.75 -1.26 -3.58 119.30 114.94 2dax s MET 74 Ca 0.30 -1.34 -0.22 0.00 -1.25 0.00 0.00 55.69 53.18 2dax s MET 74 Cb 0.02 -4.15 0.02 0.00 2.84 0.00 0.00 34.83 33.56 2dax s MET 74 CO 0.13 -1.08 0.71 -0.06 -0.65 0.00 0.00 175.02 174.07 2dax s PHE 75 N 1.75 3.06 -0.29 4.11 0.40 -1.20 -4.89 117.98 120.91 2dax s PHE 75 Ca 0.05 0.17 -0.17 0.00 -0.60 0.00 0.00 56.93 56.38 2dax s PHE 75 Cb -0.24 -3.44 -0.02 0.00 0.51 0.00 0.00 43.02 39.82 2dax s PHE 75 CO 0.07 -0.86 0.47 -1.12 0.70 0.00 0.00 175.22 174.48 2dax s SER 76 N 2.00 6.34 -0.46 1.36 0.01 -1.19 -2.41 113.70 119.37 2dax s SER 76 Ca 0.27 0.29 -0.08 0.00 1.31 0.00 0.00 55.95 57.73 2dax s SER 76 Cb -0.13 -2.26 0.11 0.00 0.21 0.00 0.00 66.02 63.95 2dax s SER 76 CO 0.20 -0.31 0.32 -0.76 0.41 0.00 0.00 173.24 173.09 2dax s LEU 77 N 2.26 5.56 -0.90 2.44 1.02 0.01 -2.02 118.68 127.04 2dax s LEU 77 Ca 0.19 -1.86 -0.25 0.00 0.02 0.00 0.00 54.13 52.23 2dax s LEU 77 Cb -0.16 -1.99 0.02 0.00 0.02 0.00 0.00 46.19 44.09 2dax s LEU 77 CO 0.11 -0.65 1.54 0.00 0.02 0.00 0.00 176.35 177.37 2dax s ALA 78 N 1.35 2.47 -0.06 4.21 0.00 -1.04 -1.76 121.76 126.93 2dax s ALA 78 Ca 0.05 -1.76 -0.13 0.00 0.00 0.00 0.00 51.96 50.12 2dax s ALA 78 Cb -0.25 -4.45 -0.05 0.00 0.00 0.00 0.00 23.12 18.36 2dax s ALA 78 CO -0.01 -3.80 0.34 0.00 0.00 0.00 0.00 175.76 172.29 2dax s ILE 80 N -0.64 -0.09 -0.24 0.00 1.01 -1.17 -2.42 121.20 117.66 2dax s ILE 80 Ca 0.21 0.33 -0.15 0.00 0.00 0.00 0.00 60.65 61.04 2dax s ILE 80 Cb -0.15 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 2dax s ILE 80 CO 0.10 0.14 0.36 -0.76 0.00 0.00 0.00 174.94 174.77 2dax s LEU 81 N 1.64 4.10 0.00 2.97 1.43 -1.17 -0.24 118.68 127.41 2dax s LEU 81 Ca -0.02 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2dax s LEU 81 Cb -0.12 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2dax s LEU 81 CO -0.03 -0.11 0.00 -0.81 0.23 0.00 0.00 176.35 175.63 2dax n PRO 82 N 4.85 -0.69 0.01 1.29 -0.04 -1.26 -3.49 135.00 135.66 2dax n PRO 82 Ca -0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.39 2dax n PRO 82 Cb 0.51 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.87 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 -2.19 0.60 0.07 0.54 3.72 -1.26 -4.22 117.46 114.72 2dax n PHE 83 Ca 0.00 0.19 -0.17 0.00 -0.05 0.00 0.00 57.45 57.42 2dax n PHE 83 Cb 0.00 -0.92 -0.09 0.00 -0.94 0.00 0.00 39.48 37.53 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 0.00 0.53 -2.61 -1.08 1.57 -1.94 -3.47 116.57 109.57 2dax h LYS 84 Ca -0.17 -0.62 -0.28 0.00 -1.87 0.00 0.00 60.65 57.71 2dax h LYS 84 Cb 1.48 0.19 0.05 0.00 0.08 0.00 0.00 32.23 34.03 2dax h LYS 84 CO 0.03 1.24 -0.29 0.98 -0.57 0.00 0.00 179.45 180.83 2dax n TYR 85 N -3.77 -0.44 0.62 -1.35 9.36 -1.26 -1.33 117.16 119.01 2dax n TYR 85 Ca -0.10 0.37 0.07 0.00 3.32 0.00 0.00 57.90 61.57 2dax n TYR 85 Cb 0.90 -0.83 0.35 0.00 -0.63 0.00 0.00 39.34 39.13 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 0.48 0.13 0.00 2.98 -0.04 -1.26 -4.86 135.00 132.43 2dax n PRO 86 Ca 0.07 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2dax n PRO 86 Cb 0.13 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.37 0.00 -2.66 0.55 0.00 -0.44 -4.07 120.51 112.52 2dax n ALA 87 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.12 2dax n ALA 87 Cb 0.14 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.54 5.28 0.99 0.00 -7.23 -1.26 -4.67 120.40 111.97 2dax s VAL 88 Ca 0.00 0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 60.45 2dax s VAL 88 Cb 0.00 -3.61 -0.09 0.00 0.56 0.00 0.00 36.38 33.23 2dax s VAL 88 CO 0.00 0.30 -0.49 0.18 -0.31 0.00 0.00 175.10 174.78 2dax n LEU 89 N 4.40 -4.14 -4.60 1.32 4.77 -1.26 -4.02 117.00 113.46 2dax n LEU 89 Ca -0.12 0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 2dax n LEU 89 Cb 0.52 -0.88 0.23 0.00 -2.33 0.00 0.00 43.42 40.96 2dax n LEU 89 CO 0.37 -5.10 0.62 -2.16 -1.33 0.00 0.00 177.39 169.80 2dax s PRO 90 N -2.50 -1.08 -0.75 3.23 0.04 -1.26 -4.75 135.00 127.92 2dax s PRO 90 Ca 0.45 -0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.51 2dax s PRO 90 Cb -0.17 -1.61 0.19 0.00 0.04 0.00 0.00 34.50 32.95 2dax s PRO 90 CO 0.77 -3.63 0.62 0.39 0.04 0.00 0.00 177.00 175.19 2dax n GLU 91 N -4.71 2.17 -3.17 4.56 -0.58 0.66 -4.95 120.64 114.63 2dax n GLU 91 Ca 0.12 -4.52 -0.39 0.00 -0.42 0.00 0.00 57.16 51.96 2dax n GLU 91 Cb 0.59 -2.32 -0.06 0.00 -0.57 0.00 0.00 31.44 29.09 2dax n GLU 91 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dax s ILE 92 N -1.61 4.82 -0.27 -3.67 1.01 -1.26 -3.03 121.20 117.19 2dax s ILE 92 Ca 0.28 1.33 -0.02 0.00 0.00 0.00 0.00 60.65 62.24 2dax s ILE 92 Cb -0.02 -3.97 0.09 0.00 0.01 0.00 0.00 42.46 38.57 2dax s ILE 92 CO -0.14 0.44 0.08 -0.89 0.00 0.00 0.00 174.94 174.43 2dax s THR 93 N -0.36 0.69 0.00 2.92 2.01 -0.38 -4.92 115.64 115.60 2dax s THR 93 Ca 0.32 -1.09 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 2dax s THR 93 Cb -0.19 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 2dax s THR 93 CO 0.19 -0.54 1.20 -0.69 -0.69 0.00 0.00 174.62 174.09 2dax s VAL 94 N 1.73 4.16 0.02 3.82 1.01 -1.26 -2.48 120.40 127.40 2dax s VAL 94 Ca 0.06 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.61 2dax s VAL 94 Cb -0.17 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2dax s VAL 94 CO -0.21 0.06 -0.12 -0.13 0.00 0.00 0.00 175.10 174.69 2dax s ARG 95 N 1.65 0.87 -0.28 2.72 1.81 -0.86 -4.83 118.95 120.03 2dax s ARG 95 Ca 0.57 -0.62 -0.25 0.00 -1.72 0.00 0.00 55.73 53.71 2dax s ARG 95 Cb -0.27 -0.85 0.12 0.00 -0.45 0.00 0.00 34.95 33.51 2dax s ARG 95 CO 0.26 0.21 1.03 0.45 -0.68 0.00 0.00 175.30 176.57 2dax s SER 96 N -0.86 -0.45 0.31 0.23 0.15 -1.26 -3.15 113.70 108.67 2dax s SER 96 Ca 0.01 0.87 -0.01 0.00 0.70 0.00 0.00 55.95 57.52 2dax s SER 96 Cb -0.07 0.88 0.49 0.00 -1.71 0.00 0.00 66.02 65.61 2dax s SER 96 CO 0.01 -0.15 1.98 1.62 1.20 0.00 0.00 173.24 177.89 2dax h VAL 97 N 3.59 1.20 0.59 4.45 3.04 -2.01 -2.97 116.25 124.14 2dax h VAL 97 Ca -0.28 -0.36 -0.02 0.00 -1.01 0.00 0.00 66.70 65.02 2dax h VAL 97 Cb 1.18 0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2dax h VAL 97 CO 0.11 0.19 -0.36 -0.07 -1.01 0.00 0.00 177.57 176.43 2dax h LEU 98 N 1.05 -0.91 -9.68 3.16 3.38 -1.98 -3.42 115.31 106.92 2dax h LEU 98 Ca 0.28 0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.78 2dax h LEU 98 Cb -0.12 0.27 0.06 0.00 0.09 0.00 0.00 40.66 40.96 2dax h LEU 98 CO -0.06 -0.56 0.98 -0.76 0.09 0.00 0.00 178.44 178.12 2dax s LEU 99 N -10.10 4.36 0.58 1.67 1.43 -1.12 -4.98 118.68 110.51 2dax s LEU 99 Ca -0.18 2.87 -0.09 0.00 -1.03 0.00 0.00 54.13 55.70 2dax s LEU 99 Cb 0.04 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2dax s LEU 99 CO 0.62 -0.95 0.95 -0.94 0.23 0.00 0.00 176.35 176.26 2dax s SER 100 N 1.04 6.18 0.26 2.29 1.04 -1.26 -4.74 113.70 118.50 2dax s SER 100 Ca 0.72 1.22 -0.04 0.00 0.48 0.00 0.00 55.95 58.33 2dax s SER 100 Cb -0.49 -2.34 0.53 0.00 0.10 0.00 0.00 66.02 63.82 2dax s SER 100 CO 0.35 -0.81 1.62 -0.09 0.98 0.00 0.00 173.24 175.30 2dax h ARG 101 N -0.15 0.09 0.40 4.02 2.43 -1.95 0.24 114.38 119.46 2dax h ARG 101 Ca -0.45 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2dax h ARG 101 Cb 1.20 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2dax h ARG 101 CO 0.62 0.06 -0.19 0.77 -1.51 0.00 0.00 179.97 179.72 2dax h SER 102 N 0.10 -0.45 -0.74 -3.80 0.02 -2.01 -2.88 113.55 103.79 2dax h SER 102 Ca 0.47 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.53 2dax h SER 102 Cb 0.87 0.12 -0.12 0.00 0.14 0.00 0.00 62.40 63.41 2dax h SER 102 CO -0.73 -0.21 -0.46 1.56 -1.14 0.00 0.00 176.83 175.85 2dax h GLN 103 N -0.76 -0.14 -0.76 3.45 1.08 -1.81 0.16 115.11 116.32 2dax h GLN 103 Ca -0.05 0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.33 2dax h GLN 103 Cb 0.41 0.03 -0.13 0.00 -0.05 0.00 0.00 27.48 27.74 2dax h GLN 103 CO 0.09 -0.09 -0.02 0.37 -0.95 0.00 0.00 178.83 178.22 2dax h GLN 104 N -0.14 0.08 -0.95 1.46 5.75 -0.64 0.15 115.11 120.82 2dax h GLN 104 Ca 0.20 -0.00 0.29 0.00 -0.15 0.00 0.00 58.65 58.99 2dax h GLN 104 Cb 0.54 -0.02 -0.16 0.00 1.07 0.00 0.00 27.48 28.91 2dax h GLN 104 CO -0.80 0.05 0.30 1.15 -2.65 0.00 0.00 178.83 176.89 2dax h THR 105 N 0.08 0.18 0.00 2.39 2.02 -0.45 0.33 112.91 117.47 2dax h THR 105 Ca 0.41 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.54 2dax h THR 105 Cb 0.71 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2dax h THR 105 CO -0.69 0.03 0.00 1.67 0.37 0.00 0.00 175.52 176.90 2dax n GLN 106 N -5.27 0.00 -0.37 6.66 -0.06 0.52 -2.42 117.38 116.45 2dax n GLN 106 Ca 0.27 0.29 0.04 0.00 -2.00 0.00 0.00 57.00 55.60 2dax n GLN 106 Cb 0.87 -1.09 0.11 0.00 -4.06 0.00 0.00 30.24 26.07 2dax n GLN 106 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2dax n LEU 107 N -1.37 -0.44 -0.16 1.69 0.00 -1.04 0.28 117.00 115.96 2dax n LEU 107 Ca 0.00 1.72 -0.03 0.00 0.00 0.00 0.00 56.01 57.70 2dax n LEU 107 Cb 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 43.42 42.97 2dax n LEU 107 CO 0.00 -1.62 0.74 -1.13 0.00 0.00 0.00 177.39 175.37 2dax h ASN 108 N 0.00 -0.60 -0.03 1.96 -0.73 -0.45 0.12 115.58 115.86 2dax h ASN 108 Ca 0.44 0.17 -0.00 0.00 1.87 0.00 0.00 56.30 58.77 2dax h ASN 108 Cb 0.69 0.36 -0.00 0.00 0.27 0.00 0.00 38.32 39.64 2dax h ASN 108 CO -1.02 -0.20 -0.00 0.74 -0.37 0.00 0.00 177.43 176.58 2dax h THR 109 N -0.05 1.26 -0.40 -3.57 2.02 0.18 -3.21 112.91 109.15 2dax h THR 109 Ca 0.24 -0.79 0.08 0.00 0.77 0.00 0.00 66.41 66.72 2dax h THR 109 Cb 0.42 1.74 -0.09 0.00 -1.74 0.00 0.00 68.15 68.49 2dax h THR 109 CO -0.55 0.21 -0.21 0.44 0.37 0.00 0.00 175.52 175.78 2dax h ASP 110 N -0.27 -0.71 -0.92 4.18 3.32 -0.01 -1.83 116.42 120.18 2dax h ASP 110 Ca 0.01 0.16 0.14 0.00 0.02 0.00 0.00 57.03 57.35 2dax h ASP 110 Cb 0.34 0.37 -0.15 0.00 0.22 0.00 0.00 39.33 40.12 2dax h ASP 110 CO 0.00 -0.24 -0.40 0.25 -1.72 0.00 0.00 179.24 177.13 2dax h LEU 111 N -0.14 -1.47 0.36 1.55 5.85 -0.78 -0.07 115.31 120.61 2dax h LEU 111 Ca 0.19 0.30 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 2dax h LEU 111 Cb 0.44 0.75 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2dax h LEU 111 CO -0.48 -0.29 -0.29 0.74 -0.34 0.00 0.00 178.44 177.78 2dax h THR 112 N -0.04 0.39 -0.77 1.05 2.02 -1.39 -2.97 112.91 111.20 2dax h THR 112 Ca 0.30 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.60 2dax h THR 112 Cb 0.57 0.39 -0.13 0.00 -1.74 0.00 0.00 68.15 67.25 2dax h THR 112 CO -0.92 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 174.54 2dax h ALA 113 N -0.11 -0.16 -0.85 6.16 0.00 -0.53 -0.21 119.26 123.56 2dax h ALA 113 Ca -0.03 0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.18 2dax h ALA 113 Cb 0.57 1.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.24 2dax h ALA 113 CO -0.02 -0.76 -0.36 0.34 0.00 0.00 0.00 179.25 178.45 2dax n PHE 114 N -5.41 -0.03 0.48 0.00 7.35 -0.46 -0.78 117.46 118.60 2dax n PHE 114 Ca 0.05 1.05 -0.20 0.00 -0.76 0.00 0.00 57.45 57.59 2dax n PHE 114 Cb 0.35 -0.78 -0.10 0.00 0.35 0.00 0.00 39.48 39.31 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 -1.02 -1.38 -2.13 3.38 -1.09 0.36 115.31 113.43 2dax h LEU 115 Ca 0.27 0.03 0.40 0.00 0.09 0.00 0.00 57.88 58.68 2dax h LEU 115 Cb 0.49 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 2dax h LEU 115 CO -0.84 -0.72 1.27 0.00 0.09 0.00 0.00 178.44 178.24 2dax n GLN 116 N -5.60 0.01 -0.03 1.13 6.02 0.04 0.01 117.38 118.95 2dax n GLN 116 Ca -0.16 1.02 -0.03 0.00 -0.01 0.00 0.00 57.00 57.82 2dax n GLN 116 Cb 0.48 -2.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.27 2dax n GLN 116 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2dax n LYS 117 N -3.46 0.17 0.18 -1.09 3.00 -0.63 -4.56 118.16 111.77 2dax n LYS 117 Ca 0.31 0.15 -0.07 0.00 -0.00 0.00 0.00 58.31 58.70 2dax n LYS 117 Cb 1.69 -0.88 -0.03 0.00 0.00 0.00 0.00 35.03 35.80 2dax n LYS 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2dax h HIS 118 N -0.33 -0.43 -3.62 5.64 3.86 0.48 -3.41 115.15 117.33 2dax h HIS 118 Ca 0.00 -0.01 -0.68 0.00 -1.16 0.00 0.00 60.37 58.52 2dax h HIS 118 Cb 0.29 0.14 -0.32 0.00 1.06 0.00 0.00 27.41 28.58 2dax h HIS 118 CO -0.12 -0.27 -0.72 0.00 0.86 0.00 0.00 177.93 177.68 2dax s HIS 120 N 1.31 -0.42 0.00 0.00 5.04 -1.19 -3.37 115.29 116.66 2dax s HIS 120 Ca -0.02 0.37 0.00 0.00 -1.54 0.00 0.00 55.06 53.87 2dax s HIS 120 Cb -0.18 -0.27 0.00 0.00 0.04 0.00 0.00 32.58 32.17 2dax s HIS 120 CO -0.03 -0.64 0.00 0.41 -2.34 0.00 0.00 174.74 172.14 2dax n GLY 121 N 5.33 1.69 3.63 1.59 0.00 -1.26 -5.07 105.19 111.10 2dax n GLY 121 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.87 4.05 -0.47 1.61 1.01 -1.26 -4.61 116.67 115.13 2dax s ASP 122 Ca 0.00 -1.14 -0.24 0.00 0.71 0.00 0.00 52.55 51.88 2dax s ASP 122 Cb 0.00 -0.45 0.03 0.00 1.01 0.00 0.00 42.92 43.50 2dax s ASP 122 CO 0.00 -0.33 0.87 0.68 0.21 0.00 0.00 175.17 176.61 2dax s VAL 123 N -2.59 4.53 -0.29 -1.27 -7.23 -1.26 -4.95 120.40 107.34 2dax s VAL 123 Ca 0.35 0.58 0.01 0.00 -1.81 0.00 0.00 61.98 61.11 2dax s VAL 123 Cb 0.03 -4.40 0.18 0.00 0.56 0.00 0.00 36.38 32.76 2dax s VAL 123 CO 0.19 -0.82 0.56 0.00 -0.31 0.00 0.00 175.10 174.72 2dax n ILE 125 N 5.41 1.61 -0.03 0.00 2.08 -1.26 -4.48 119.36 122.69 2dax n ILE 125 Ca 0.01 -0.49 -0.12 0.00 0.56 0.00 0.00 62.75 62.71 2dax n ILE 125 Cb 0.52 -1.70 -0.06 0.00 -0.75 0.00 0.00 39.64 37.64 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 -0.28 -1.34 -0.87 1.39 3.38 -1.99 -0.26 115.31 115.34 2dax h LEU 126 Ca -0.51 0.18 0.33 0.00 0.09 0.00 0.00 57.88 57.97 2dax h LEU 126 Cb 1.81 0.56 -0.11 0.00 0.09 0.00 0.00 40.66 43.00 2dax h LEU 126 CO -0.09 -0.41 0.52 0.59 0.09 0.00 0.00 178.44 179.14 2dax n ASN 127 N -5.43 0.20 0.05 -0.43 4.13 -1.26 0.13 115.26 112.65 2dax n ASN 127 Ca -0.03 1.10 -0.12 0.00 1.68 0.00 0.00 54.58 57.21 2dax n ASN 127 Cb 0.36 -0.54 -0.08 0.00 -1.54 0.00 0.00 39.78 37.98 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 1.29 -0.20 0.00 5.41 0.00 -1.28 -3.05 119.26 121.43 2dax h ALA 128 Ca 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2dax h ALA 128 Cb 1.85 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2dax h ALA 128 CO -0.44 -0.32 0.00 1.79 0.00 0.00 0.00 179.25 180.28 2dax h THR 129 N -0.78 0.00 0.00 0.00 1.35 0.13 0.14 112.91 113.74 2dax h THR 129 Ca -0.02 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2dax h THR 129 Cb 0.53 0.69 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2dax h THR 129 CO 0.03 0.00 -0.43 -0.33 -0.25 0.00 0.00 175.52 174.54 2dax h GLU 130 N 0.00 0.00 0.00 4.72 5.08 -0.79 -2.82 114.58 120.77 2dax h GLU 130 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2dax h GLU 130 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2dax h GLU 130 CO 0.00 0.00 -1.80 1.87 -1.00 0.00 0.00 179.01 178.08 2dax n TRP 131 N -2.92 0.52 -0.07 4.33 -0.00 0.40 -4.38 117.44 115.33 2dax n TRP 131 Ca 0.02 0.17 -0.10 0.00 -0.00 0.00 0.00 57.50 57.59 2dax n TRP 131 Cb 0.54 -0.95 -0.09 0.00 -0.00 0.00 0.00 31.31 30.81 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 1.16 -1.92 5.87 2.07 -1.44 -2.16 116.25 119.84 2dax h VAL 132 Ca -0.24 -1.91 0.56 0.00 0.82 0.00 0.00 66.70 65.94 2dax h VAL 132 Cb 1.66 2.23 -0.08 0.00 -1.52 0.00 0.00 31.29 33.58 2dax h VAL 132 CO 0.03 0.39 1.37 -2.11 0.02 0.00 0.00 177.57 177.28 2dax n ARG 133 N -4.65 -0.00 -0.04 1.57 -4.01 -1.06 0.47 116.66 108.94 2dax n ARG 133 Ca -0.09 1.09 -0.03 0.00 -1.04 0.00 0.00 57.85 57.79 2dax n ARG 133 Cb 0.35 -2.48 -0.01 0.00 -3.04 0.00 0.00 32.46 27.28 2dax n ARG 133 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 2dax n GLU 134 N -3.98 0.22 -0.25 2.89 2.13 -1.25 -4.45 120.64 115.96 2dax n GLU 134 Ca 0.44 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.51 2dax n GLU 134 Cb 1.97 -1.06 0.07 0.00 0.27 0.00 0.00 31.44 32.69 2dax n GLU 134 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dax h HIS 135 N -0.46 -0.49 0.00 4.31 3.86 -0.69 -2.51 115.15 119.18 2dax h HIS 135 Ca 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2dax h HIS 135 Cb 0.33 0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.13 2dax h HIS 135 CO -0.14 -0.33 0.00 0.00 0.86 0.00 0.00 177.93 178.32 2dax n ALA 136 N -3.22 0.00 -0.31 2.45 0.00 0.18 0.16 120.51 119.77 2dax n ALA 136 Ca 0.09 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.71 2dax n ALA 136 Cb 0.37 0.34 0.44 0.00 0.00 0.00 0.00 19.45 20.60 2dax n ALA 136 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dax h SER 137 N 0.00 0.56 -0.91 0.00 0.87 -1.66 0.13 113.55 112.54 2dax h SER 137 Ca 0.00 0.08 0.17 0.00 -1.23 0.00 0.00 61.79 60.81 2dax h SER 137 Cb 0.00 -0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 61.84 2dax h SER 137 CO 0.00 0.17 0.49 1.23 -0.53 0.00 0.00 176.83 178.19 2dax h GLY 138 N 0.53 1.53 0.27 5.77 0.00 0.18 -2.54 103.07 108.81 2dax h GLY 138 Ca 0.56 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 2dax h GLY 138 CO -0.30 -0.07 -0.02 -0.97 0.00 0.00 0.00 176.54 175.18 2dax h TYR 139 N 0.65 -0.04 -1.51 5.60 0.05 -0.29 -3.44 116.97 117.98 2dax h TYR 139 Ca 0.51 -0.00 -0.70 0.00 0.05 0.00 0.00 58.73 58.59 2dax h TYR 139 Cb 0.78 0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.54 2dax h TYR 139 CO -0.07 0.62 1.06 0.28 -1.05 0.00 0.00 178.16 179.00 2dax n VAL 140 N -4.77 0.33 -3.50 -2.88 0.31 -0.96 -4.92 118.33 101.94 2dax n VAL 140 Ca -0.09 -0.11 -0.14 0.00 -0.01 0.00 0.00 64.34 64.00 2dax n VAL 140 Cb 0.33 -1.43 -0.04 0.00 -0.91 0.00 0.00 33.84 31.80 2dax n VAL 140 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2dax s SER 141 N 4.51 -0.54 -0.39 4.52 0.01 -1.26 -4.89 113.70 115.67 2dax s SER 141 Ca 1.00 0.21 -0.25 0.00 1.31 0.00 0.00 55.95 58.22 2dax s SER 141 Cb -0.96 0.55 0.02 0.00 0.21 0.00 0.00 66.02 65.83 2dax s SER 141 CO 0.60 -0.80 0.88 -0.60 0.41 0.00 0.00 173.24 173.72 2dax s ARG 142 N -2.75 3.74 0.02 12.44 3.52 -1.26 -5.03 118.95 129.63 2dax s ARG 142 Ca -0.04 0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.98 2dax s ARG 142 Cb -0.01 -3.83 -0.02 0.00 -1.56 0.00 0.00 34.95 29.54 2dax s ARG 142 CO -0.04 -0.98 -0.07 0.34 -0.81 0.00 0.00 175.30 173.74 2dax s ASP 143 N 1.95 0.83 0.19 -2.12 2.15 -1.26 -5.05 116.67 113.36 2dax s ASP 143 Ca 0.35 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.98 2dax s ASP 143 Cb -0.12 -0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.48 2dax s ASP 143 CO 0.20 -0.07 0.00 0.35 -0.17 0.00 0.00 175.17 175.47 2dax n THR 144 N 2.11 0.33 -1.78 1.71 -2.24 -1.26 -5.11 114.28 108.04 2dax n THR 144 Ca -0.18 0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 2dax n THR 144 Cb 0.56 -0.84 0.08 0.00 -2.10 0.00 0.00 70.33 68.03 2dax n THR 144 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2dax s SER 145 N -5.27 4.69 -0.45 3.42 1.04 -1.26 -4.99 113.70 110.89 2dax s SER 145 Ca 0.00 1.03 -0.29 0.00 0.48 0.00 0.00 55.95 57.17 2dax s SER 145 Cb 0.00 -1.68 0.03 0.00 0.10 0.00 0.00 66.02 64.46 2dax s SER 145 CO 0.00 -1.81 1.14 -0.55 0.98 0.00 0.00 173.24 173.00 2dax s SER 146 N -4.30 6.67 0.02 7.02 0.15 -1.26 -4.93 113.70 117.07 2dax s SER 146 Ca 0.61 0.59 -0.28 0.00 0.70 0.00 0.00 55.95 57.57 2dax s SER 146 Cb -0.12 -2.55 -0.16 0.00 -1.71 0.00 0.00 66.02 61.48 2dax s SER 146 CO 0.52 -1.20 1.18 -1.28 1.20 0.00 0.00 173.24 173.66 2dax h SER 147 N 9.11 -0.77 0.00 5.45 0.87 -2.03 -3.50 113.55 122.68 2dax h SER 147 Ca -0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2dax h SER 147 Cb 1.06 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2dax h SER 147 CO 1.11 -0.40 0.00 0.61 -0.53 0.00 0.00 176.83 177.62 2dax n GLY 148 N -0.72 0.12 3.56 5.77 0.00 -1.26 -5.06 105.19 107.60 2dax n GLY 148 Ca -0.12 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 2dax n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dax s PRO 149 N -2.00 2.79 -0.46 1.61 0.04 -1.26 -4.86 135.00 130.86 2dax s PRO 149 Ca 0.00 0.76 -0.29 0.00 0.04 0.00 0.00 61.00 61.51 2dax s PRO 149 Cb 0.00 -4.34 -0.14 0.00 0.04 0.00 0.00 34.50 30.06 2dax s PRO 149 CO 0.00 -2.54 1.66 0.43 0.04 0.00 0.00 177.00 176.59 2dax n SER 150 N 12.17 0.46 -4.06 6.66 7.64 -1.26 -4.89 113.62 130.35 2dax n SER 150 Ca 0.21 0.40 -0.24 0.00 1.01 0.00 0.00 58.87 60.25 2dax n SER 150 Cb 0.51 -0.66 -0.16 0.00 -1.01 0.00 0.00 64.21 62.89 2dax n SER 150 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dax s SER 151 N 4.93 1.71 0.00 6.43 0.15 -1.26 -5.30 113.70 120.36 2dax s SER 151 Ca 0.90 -0.28 0.19 0.00 0.70 0.00 0.00 55.95 57.47 2dax s SER 151 Cb -1.04 -0.55 0.15 0.00 -1.71 0.00 0.00 66.02 62.87 2dax s SER 151 CO 0.45 0.09 1.12 0.61 1.20 0.00 0.00 173.24 176.70