#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 6.49 0.10 1.61 0.01 -1.26 -4.90 113.70 115.76 2dax s SER 2 Ca 0.00 2.63 -0.15 0.00 1.31 0.00 0.00 55.95 59.74 2dax s SER 2 Cb 0.00 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 2dax s SER 2 CO 0.00 -0.99 1.41 -1.28 0.41 0.00 0.00 173.24 172.80 2dax h SER 3 N 9.17 0.75 0.00 2.44 0.87 -2.11 -3.49 113.55 121.18 2dax h SER 3 Ca -0.46 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 59.62 2dax h SER 3 Cb 1.22 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2dax h SER 3 CO 0.94 1.07 0.00 0.61 -0.53 0.00 0.00 176.83 178.93 2dax n GLY 4 N 0.19 3.31 3.50 5.77 0.00 -1.26 -5.17 105.19 111.52 2dax n GLY 4 Ca -0.04 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 2dax n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dax s SER 5 N 0.00 -0.57 -0.07 1.61 1.04 -1.26 -5.09 113.70 109.36 2dax s SER 5 Ca 0.00 0.40 -0.07 0.00 0.48 0.00 0.00 55.95 56.76 2dax s SER 5 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 2dax s SER 5 CO 0.00 -0.68 -0.15 -1.20 0.98 0.00 0.00 173.24 172.19 2dax n SER 6 N 0.39 1.13 -0.50 7.02 7.64 -1.26 -5.05 113.62 123.00 2dax n SER 6 Ca -0.16 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2dax n SER 6 Cb 0.60 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2dax n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dax n GLY 7 N 2.43 0.27 0.15 0.23 0.00 -1.26 -4.91 105.19 102.10 2dax n GLY 7 Ca -0.15 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.00 -0.25 1.61 9.09 -2.01 -3.21 114.58 119.82 2dax h GLU 8 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 2dax h GLU 8 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 2dax h GLU 8 CO 0.00 0.00 0.02 0.37 0.05 0.00 0.00 179.01 179.45 2dax h GLN 9 N 0.00 0.42 -0.93 1.06 4.15 -1.93 -0.91 115.11 116.97 2dax h GLN 9 Ca 0.00 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.35 2dax h GLN 9 Cb 0.61 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.20 2dax h GLN 9 CO 0.00 0.58 0.60 0.00 -1.93 0.00 0.00 178.83 178.08 2dax h ALA 10 N 0.83 1.47 0.09 3.38 0.00 -1.90 -2.83 119.26 120.29 2dax h ALA 10 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dax h ALA 10 Cb 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dax h ALA 10 CO 0.01 0.41 -0.04 0.93 0.00 0.00 0.00 179.25 180.56 2dax h GLU 11 N 1.09 -0.11 -0.36 0.00 5.08 -1.64 -3.14 114.58 115.49 2dax h GLU 11 Ca 0.39 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.79 2dax h GLU 11 Cb 0.14 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2dax h GLU 11 CO -0.14 0.37 -0.21 0.00 -1.00 0.00 0.00 179.01 178.02 2dax n ALA 12 N -2.44 -0.23 -0.11 3.43 0.00 -0.36 -0.29 120.51 120.50 2dax n ALA 12 Ca -0.08 0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.60 2dax n ALA 12 Cb 0.27 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2dax n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2dax h GLN 13 N 0.00 -0.16 -0.04 0.00 4.20 -1.66 -2.67 115.11 114.79 2dax h GLN 13 Ca 0.06 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.79 2dax h GLN 13 Cb 0.15 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 2dax h GLN 13 CO -0.34 -0.10 -0.31 1.25 -0.67 0.00 0.00 178.83 178.65 2dax h LEU 14 N -0.16 -0.98 -0.81 1.46 5.85 -0.60 -1.21 115.31 118.87 2dax h LEU 14 Ca 0.19 0.11 0.24 0.00 0.84 0.00 0.00 57.88 59.26 2dax h LEU 14 Cb 0.46 0.38 -0.15 0.00 0.37 0.00 0.00 40.66 41.71 2dax h LEU 14 CO -0.48 -0.29 0.08 0.00 -0.34 0.00 0.00 178.44 177.41 2dax n ALA 15 N -2.80 0.48 0.42 1.25 0.00 0.36 -0.09 120.51 120.13 2dax n ALA 15 Ca -0.04 0.86 -0.17 0.00 0.00 0.00 0.00 53.44 54.09 2dax n ALA 15 Cb 0.22 -0.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.03 -0.44 0.00 4.81 -1.01 -2.47 114.58 114.44 2dax h GLU 16 Ca 0.52 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.91 2dax h GLU 16 Cb 1.14 0.24 -0.10 0.00 0.63 0.00 0.00 28.75 30.66 2dax h GLU 16 CO -0.74 -0.68 -0.28 -0.07 -0.73 0.00 0.00 179.01 176.51 2dax h LEU 17 N -1.23 -0.95 -0.94 1.64 3.38 0.42 0.12 115.31 117.75 2dax h LEU 17 Ca -0.11 0.19 0.20 0.00 0.09 0.00 0.00 57.88 58.25 2dax h LEU 17 Cb 0.83 0.47 -0.11 0.00 0.09 0.00 0.00 40.66 41.94 2dax h LEU 17 CO 0.18 -0.29 0.52 -0.78 0.09 0.00 0.00 178.44 178.16 2dax h ASP 18 N -0.19 0.60 0.08 -0.43 3.58 -0.96 -0.75 116.42 118.35 2dax h ASP 18 Ca 0.20 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 2dax h ASP 18 Cb 0.51 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2dax h ASP 18 CO -0.55 0.16 -0.04 0.25 -2.88 0.00 0.00 179.24 176.18 2dax h LEU 19 N 0.61 -0.10 0.10 2.28 5.85 -0.37 -3.24 115.31 120.45 2dax h LEU 19 Ca 0.56 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.97 2dax h LEU 19 Cb 0.96 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 2dax h LEU 19 CO -0.43 0.29 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.37 2dax h LEU 20 N -0.50 -1.57 -0.86 2.25 3.38 0.06 0.11 115.31 118.18 2dax h LEU 20 Ca -0.01 0.17 0.36 0.00 0.09 0.00 0.00 57.88 58.49 2dax h LEU 20 Cb 0.42 0.58 -0.15 0.00 0.09 0.00 0.00 40.66 41.60 2dax h LEU 20 CO 0.02 -0.54 0.47 0.00 0.09 0.00 0.00 178.44 178.47 2dax n ALA 21 N -2.92 0.89 0.08 1.53 0.00 -0.39 0.12 120.51 119.82 2dax n ALA 21 Ca -0.08 0.87 -0.21 0.00 0.00 0.00 0.00 53.44 54.02 2dax n ALA 21 Cb 0.40 -0.87 -0.15 0.00 0.00 0.00 0.00 19.45 18.83 2dax n ALA 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dax h SER 22 N 0.00 0.58 0.00 0.00 0.87 -1.22 -3.23 113.55 110.55 2dax h SER 22 Ca 0.73 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2dax h SER 22 Cb 1.94 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 2dax h SER 22 CO -0.65 1.48 0.29 0.24 -0.53 0.00 0.00 176.83 177.66 2dax h MET 23 N -0.22 0.00 -2.93 2.24 2.07 0.35 -3.10 114.93 113.34 2dax h MET 23 Ca -0.17 0.00 -0.61 0.00 -2.07 0.00 0.00 59.70 56.84 2dax h MET 23 Cb 1.79 0.00 -0.41 0.00 -1.87 0.00 0.00 31.60 31.12 2dax h MET 23 CO 0.19 0.00 -0.70 -0.06 1.07 0.00 0.00 176.91 177.40 2dax s PHE 24 N -3.52 2.63 0.16 -0.22 0.40 -0.68 -4.95 117.98 111.81 2dax s PHE 24 Ca -0.02 -2.90 -0.09 0.00 -0.60 0.00 0.00 56.93 53.33 2dax s PHE 24 Cb 0.05 -2.14 0.02 0.00 0.51 0.00 0.00 43.02 41.46 2dax s PHE 24 CO 0.16 -0.68 1.50 -1.00 0.70 0.00 0.00 175.22 175.90 2dax h PRO 25 N 5.85 0.85 -4.63 0.24 0.13 -1.74 -3.43 132.00 129.28 2dax h PRO 25 Ca 0.12 -0.45 -0.60 0.00 -0.87 0.00 0.00 66.00 64.20 2dax h PRO 25 Cb 0.84 0.02 0.04 0.00 0.13 0.00 0.00 31.00 32.03 2dax h PRO 25 CO 0.59 1.09 -0.00 0.41 -0.23 0.00 0.00 178.00 179.85 2dax n GLY 26 N 0.11 -0.34 0.32 1.56 0.00 -1.26 -4.76 105.19 100.82 2dax n GLY 26 Ca -0.02 0.55 0.20 0.00 0.00 0.00 0.00 46.02 46.76 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 2.15 0.00 -0.76 1.61 4.11 -1.96 -2.80 114.58 116.93 2dax h GLU 27 Ca -0.37 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 58.67 2dax h GLU 27 Cb 1.10 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.94 2dax h GLU 27 CO 0.49 0.01 -1.01 0.27 0.07 0.00 0.00 179.01 178.85 2dax n ASN 28 N -3.14 2.85 -0.11 3.06 0.23 -1.26 -4.85 115.26 112.04 2dax n ASN 28 Ca -0.02 -2.83 -0.22 0.00 -0.53 0.00 0.00 54.58 50.98 2dax n ASN 28 Cb 0.15 -0.45 -0.07 0.00 -2.08 0.00 0.00 39.78 37.33 2dax n ASN 28 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2dax n GLU 29 N -0.51 0.51 -4.93 -3.83 -0.58 -1.06 -4.83 120.64 105.41 2dax n GLU 29 Ca 0.21 0.22 -0.26 0.00 -0.42 0.00 0.00 57.16 56.91 2dax n GLU 29 Cb 0.83 -1.37 -0.15 0.00 -0.57 0.00 0.00 31.44 30.18 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 -7.48 2.04 -0.10 -4.62 0.20 -1.26 0.01 118.68 107.46 2dax s LEU 30 Ca -0.32 -0.35 -0.01 0.00 0.69 0.00 0.00 54.13 54.13 2dax s LEU 30 Cb 0.11 -0.99 0.03 0.00 -0.43 0.00 0.00 46.19 44.91 2dax s LEU 30 CO 0.42 0.24 -0.00 -0.63 -0.29 0.00 0.00 176.35 176.09 2dax s ILE 31 N -0.45 0.51 -0.79 6.68 1.09 -0.18 -5.00 121.20 123.06 2dax s ILE 31 Ca 0.07 -0.08 -0.19 0.00 -1.10 0.00 0.00 60.65 59.36 2dax s ILE 31 Cb -0.07 -0.71 0.12 0.00 -1.06 0.00 0.00 42.46 40.74 2dax s ILE 31 CO -0.01 0.18 0.96 -0.69 -0.10 0.00 0.00 174.94 175.29 2dax s VAL 32 N 1.91 4.75 0.12 2.92 1.01 -1.26 -0.03 120.40 129.81 2dax s VAL 32 Ca 0.04 -1.28 -0.34 0.00 0.00 0.00 0.00 61.98 60.40 2dax s VAL 32 Cb -0.13 -4.67 -0.13 0.00 0.00 0.00 0.00 36.38 31.45 2dax s VAL 32 CO -0.06 -1.37 1.56 -1.13 0.00 0.00 0.00 175.10 174.10 2dax h ASN 33 N 8.96 -1.69 -0.28 3.32 -0.73 -1.42 -1.40 115.58 122.35 2dax h ASN 33 Ca -0.04 0.20 -0.25 0.00 1.87 0.00 0.00 56.30 58.08 2dax h ASN 33 Cb 1.05 0.65 -0.09 0.00 0.27 0.00 0.00 38.32 40.20 2dax h ASN 33 CO 1.09 -0.50 -0.11 -0.67 -0.37 0.00 0.00 177.43 176.86 2dax n ASP 34 N -5.45 5.61 -0.32 1.15 2.03 -0.12 -4.65 116.55 114.80 2dax n ASP 34 Ca -0.06 -2.67 0.21 0.00 0.52 0.00 0.00 54.79 52.79 2dax n ASP 34 Cb 0.39 -1.32 0.42 0.00 -0.72 0.00 0.00 41.12 39.88 2dax n ASP 34 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2dax h GLN 35 N 2.67 0.09 -0.56 -0.67 -0.00 -1.50 0.51 115.11 115.66 2dax h GLN 35 Ca 0.22 -0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.97 2dax h GLN 35 Cb 1.23 -0.02 -0.08 0.00 0.00 0.00 0.00 27.48 28.61 2dax h GLN 35 CO 0.38 0.06 0.10 1.25 0.00 0.00 0.00 178.83 180.62 2dax h LEU 36 N 0.10 -0.04 -0.86 -2.39 5.85 -1.87 -2.21 115.31 113.88 2dax h LEU 36 Ca 0.69 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.66 2dax h LEU 36 Cb 1.61 0.16 -0.14 0.00 0.37 0.00 0.00 40.66 42.66 2dax h LEU 36 CO -0.77 -0.00 -0.33 0.00 -0.34 0.00 0.00 178.44 177.00 2dax n ALA 37 N -2.59 -0.08 -0.16 1.25 0.00 0.18 0.91 120.51 120.01 2dax n ALA 37 Ca 0.07 0.87 -0.05 0.00 0.00 0.00 0.00 53.44 54.33 2dax n ALA 37 Cb 0.29 -0.40 0.04 0.00 0.00 0.00 0.00 19.45 19.39 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 0.98 -0.38 0.00 2.07 -1.49 -2.13 116.25 115.30 2dax h VAL 38 Ca 0.31 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.73 2dax h VAL 38 Cb 0.53 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 2dax h VAL 38 CO -0.86 0.09 -0.16 0.00 0.02 0.00 0.00 177.57 176.67 2dax h ALA 39 N 1.25 0.15 0.41 1.67 0.00 0.59 -0.37 119.26 122.96 2dax h ALA 39 Ca 0.21 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2dax h ALA 39 Cb 0.10 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2dax h ALA 39 CO -0.13 -0.52 -0.27 0.93 0.00 0.00 0.00 179.25 179.26 2dax h GLU 40 N -0.08 -0.63 -0.99 0.00 3.07 -0.94 -1.56 114.58 113.45 2dax h GLU 40 Ca 0.19 0.04 0.22 0.00 -0.50 0.00 0.00 59.36 59.31 2dax h GLU 40 Cb 0.37 0.14 -0.12 0.00 -0.84 0.00 0.00 28.75 28.31 2dax h GLU 40 CO -0.44 -0.42 0.58 1.25 -1.40 0.00 0.00 179.01 178.59 2dax h LEU 41 N -0.66 0.70 -0.18 1.33 5.85 -0.95 0.11 115.31 121.52 2dax h LEU 41 Ca -0.04 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2dax h LEU 41 Cb 0.55 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2dax h LEU 41 CO 0.03 0.17 0.05 0.11 -0.34 0.00 0.00 178.44 178.46 2dax h LYS 42 N 0.65 0.28 -0.50 1.25 1.57 -0.62 -2.55 116.57 116.66 2dax h LYS 42 Ca 0.61 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.29 2dax h LYS 42 Cb 1.06 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 2dax h LYS 42 CO -0.44 0.41 0.17 0.22 -0.57 0.00 0.00 179.45 179.25 2dax h ASP 43 N 0.11 0.66 -0.13 0.86 3.58 -0.05 -2.29 116.42 119.15 2dax h ASP 43 Ca 0.06 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2dax h ASP 43 Cb 0.25 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2dax h ASP 43 CO -0.00 0.62 0.09 0.00 -2.88 0.00 0.00 179.24 177.07 2dax h ILE 45 N 0.17 0.00 -0.39 0.00 2.04 -1.21 -0.19 117.51 117.94 2dax h ILE 45 Ca 0.05 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.91 2dax h ILE 45 Cb -0.01 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 35.99 2dax h ILE 45 CO -0.01 0.00 -0.17 -0.33 0.00 0.00 0.00 178.15 177.64 2dax h GLU 46 N -1.31 -0.09 0.00 2.37 4.39 -1.43 0.60 114.58 119.12 2dax h GLU 46 Ca -0.12 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2dax h GLU 46 Cb 0.94 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2dax h GLU 46 CO 0.21 -0.06 0.00 1.63 -1.16 0.00 0.00 179.01 179.63 2dax n LYS 47 N -5.36 0.40 -4.23 2.33 5.02 0.28 -4.85 118.16 111.75 2dax n LYS 47 Ca 0.02 0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 56.03 2dax n LYS 47 Cb 0.27 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.11 -2.36 -3.37 1.97 5.02 0.21 -4.92 118.16 113.59 2dax n LYS 48 Ca 0.10 0.29 -0.05 0.00 -2.02 0.00 0.00 58.31 56.63 2dax n LYS 48 Cb 0.08 -4.61 -0.06 0.00 -0.02 0.00 0.00 35.03 30.43 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 -3.66 -0.75 -1.12 -0.18 -1.32 -0.43 -5.03 115.64 103.14 2dax s THR 49 Ca 0.43 -0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.70 2dax s THR 49 Cb -0.24 -0.85 0.05 0.00 -1.51 0.00 0.00 72.50 69.94 2dax s THR 49 CO 0.95 -0.04 1.61 -0.04 -2.21 0.00 0.00 174.62 174.88 2dax s MET 50 N 2.67 3.63 0.27 7.08 -1.94 -1.26 -4.60 119.30 125.15 2dax s MET 50 Ca 0.11 -1.39 -0.02 0.00 -1.71 0.00 0.00 55.69 52.68 2dax s MET 50 Cb -0.14 -5.40 0.43 0.00 2.01 0.00 0.00 34.83 31.72 2dax s MET 50 CO -0.17 -2.38 1.87 1.05 -0.01 0.00 0.00 175.02 175.38 2dax h GLU 51 N 9.07 1.09 0.00 2.03 4.11 -1.98 -3.46 114.58 125.44 2dax h GLU 51 Ca 0.29 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.65 2dax h GLU 51 Cb 0.96 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2dax h GLU 51 CO 1.42 0.72 0.00 0.41 0.07 0.00 0.00 179.01 181.63 2dax n GLY 52 N -1.36 0.44 3.67 1.06 0.00 -1.26 -5.07 105.19 102.66 2dax n GLY 52 Ca 0.16 -0.30 -0.60 0.00 0.00 0.00 0.00 46.02 45.28 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 0.65 -1.80 1.61 1.74 -1.26 -4.86 116.66 112.74 2dax n ARG 53 Ca 0.00 0.24 -0.26 0.00 -0.77 0.00 0.00 57.85 57.05 2dax n ARG 53 Cb 0.00 -1.83 0.04 0.00 -1.02 0.00 0.00 32.46 29.65 2dax n ARG 53 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2dax n SER 54 N 3.86 5.60 -3.63 0.55 7.64 -1.26 -4.96 113.62 121.42 2dax n SER 54 Ca 0.25 -3.76 -0.03 0.00 1.01 0.00 0.00 58.87 56.34 2dax n SER 54 Cb 0.08 -0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 62.70 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 -3.10 -0.57 0.10 6.43 0.01 -1.26 -5.14 113.70 110.17 2dax s SER 55 Ca 0.55 0.90 -0.27 0.00 1.31 0.00 0.00 55.95 58.43 2dax s SER 55 Cb 0.44 1.27 -0.06 0.00 0.21 0.00 0.00 66.02 67.87 2dax s SER 55 CO 0.03 -0.14 0.84 -0.54 0.41 0.00 0.00 173.24 173.83 2dax s LYS 56 N 1.45 4.59 -0.59 12.44 1.02 -1.26 -4.84 119.74 132.56 2dax s LYS 56 Ca -0.09 1.23 -0.26 0.00 0.02 0.00 0.00 55.97 56.87 2dax s LYS 56 Cb -0.04 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 2dax s LYS 56 CO -0.16 0.33 2.04 0.08 -0.92 0.00 0.00 175.35 176.72 2dax s VAL 57 N -0.31 3.25 -0.26 3.17 1.01 -1.23 -4.81 120.40 121.22 2dax s VAL 57 Ca 0.41 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 2dax s VAL 57 Cb -0.22 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2dax s VAL 57 CO 0.26 -0.62 0.09 -0.47 0.00 0.00 0.00 175.10 174.36 2dax s TYR 58 N 10.19 3.11 -0.02 5.22 5.04 -1.26 -2.40 117.35 137.22 2dax s TYR 58 Ca 0.77 -0.42 -0.01 0.00 -2.44 0.00 0.00 57.07 54.97 2dax s TYR 58 Cb -0.14 -2.26 0.02 0.00 0.35 0.00 0.00 41.96 39.93 2dax s TYR 58 CO 0.21 -0.36 0.05 -0.59 -1.34 0.00 0.00 175.55 173.52 2dax s PHE 59 N 1.62 -0.03 -0.15 4.97 -0.71 -1.20 -0.95 117.98 121.54 2dax s PHE 59 Ca 0.06 0.16 -0.05 0.00 -1.04 0.00 0.00 56.93 56.07 2dax s PHE 59 Cb -0.15 -0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.53 2dax s PHE 59 CO 0.04 -0.07 0.01 0.99 -1.34 0.00 0.00 175.22 174.86 2dax s THR 60 N 0.57 4.37 -0.17 -4.49 2.01 0.95 -2.94 115.64 115.96 2dax s THR 60 Ca -0.05 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 2dax s THR 60 Cb -0.06 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 2dax s THR 60 CO -0.02 0.51 0.01 -0.63 -0.69 0.00 0.00 174.62 173.80 2dax s ILE 61 N 0.04 4.34 -0.34 1.82 1.01 -1.20 -1.01 121.20 125.86 2dax s ILE 61 Ca 0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 2dax s ILE 61 Cb -0.13 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2dax s ILE 61 CO 0.02 0.48 0.21 0.20 0.00 0.00 0.00 174.94 175.85 2dax s ASN 62 N 0.31 5.88 -0.15 3.58 0.01 0.10 -2.17 114.94 122.51 2dax s ASN 62 Ca -0.00 -0.51 0.02 0.00 -0.71 0.00 0.00 52.86 51.66 2dax s ASN 62 Cb -0.13 -2.09 0.01 0.00 0.41 0.00 0.00 41.25 39.45 2dax s ASN 62 CO 0.02 -0.24 -0.21 -0.04 -1.51 0.00 0.00 177.10 175.12 2dax s MET 63 N 1.68 2.95 -0.36 -0.60 -1.94 -0.74 -4.76 119.30 115.52 2dax s MET 63 Ca 0.05 -0.82 -0.14 0.00 -1.71 0.00 0.00 55.69 53.07 2dax s MET 63 Cb -0.17 -2.42 -0.01 0.00 2.01 0.00 0.00 34.83 34.24 2dax s MET 63 CO 0.09 -0.06 0.30 0.54 -0.01 0.00 0.00 175.02 175.88 2dax s ASN 64 N 0.93 6.11 0.04 3.03 4.22 -1.26 -1.22 114.94 126.80 2dax s ASN 64 Ca -0.04 -0.44 0.05 0.00 -2.14 0.00 0.00 52.86 50.29 2dax s ASN 64 Cb -0.15 -2.16 -0.02 0.00 1.28 0.00 0.00 41.25 40.19 2dax s ASN 64 CO -0.04 -0.32 -0.16 -0.76 -2.04 0.00 0.00 177.10 173.78 2dax s LEU 65 N 1.83 2.18 0.00 3.54 1.43 -1.15 -4.95 118.68 121.56 2dax s LEU 65 Ca 0.08 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 2dax s LEU 65 Cb -0.17 -0.68 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 2dax s LEU 65 CO 0.11 0.06 1.24 -1.81 0.23 0.00 0.00 176.35 176.17 2dax s ASP 66 N -1.18 7.03 -0.27 2.29 1.11 -1.26 -2.08 116.67 122.30 2dax s ASP 66 Ca 0.03 1.95 -0.14 0.00 0.18 0.00 0.00 52.55 54.57 2dax s ASP 66 Cb -0.08 -2.57 -0.12 0.00 1.07 0.00 0.00 42.92 41.23 2dax s ASP 66 CO 0.01 -0.56 -0.36 1.33 1.18 0.00 0.00 175.17 176.78 2dax n VAL 67 N 4.33 1.53 -3.81 -1.27 0.24 -0.43 -4.82 118.33 114.09 2dax n VAL 67 Ca 0.10 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2dax n VAL 67 Cb 0.46 -1.92 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 2dax n VAL 67 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2dax s SER 68 N -7.36 -0.04 -1.40 -1.34 0.01 -1.19 -4.81 113.70 97.57 2dax s SER 68 Ca -0.38 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 56.55 2dax s SER 68 Cb 0.14 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2dax s SER 68 CO 0.49 -0.53 0.40 0.47 0.41 0.00 0.00 173.24 174.47 2dax n ASP 69 N -0.83 -0.43 -2.68 2.44 9.92 -1.26 0.04 116.55 123.76 2dax n ASP 69 Ca -0.03 -1.04 -0.05 0.00 -0.53 0.00 0.00 54.79 53.14 2dax n ASP 69 Cb 0.61 -2.92 -0.01 0.00 -0.64 0.00 0.00 41.12 38.16 2dax n ASP 69 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2dax n GLU 70 N -4.42 -2.76 -4.44 -1.24 1.02 -1.26 -4.87 120.64 102.67 2dax n GLU 70 Ca -0.30 0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.68 2dax n GLU 70 Cb 0.68 -4.58 -0.10 0.00 -0.02 0.00 0.00 31.44 27.42 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2dax s LYS 71 N -5.21 1.57 0.28 3.49 1.02 0.11 -5.07 119.74 115.93 2dax s LYS 71 Ca 0.08 -1.76 0.02 0.00 0.02 0.00 0.00 55.97 54.32 2dax s LYS 71 Cb -0.04 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.86 2dax s LYS 71 CO 0.09 0.14 0.11 0.00 -0.92 0.00 0.00 175.35 174.78 2dax s MET 72 N -3.65 1.49 0.15 1.68 0.23 -1.26 -1.32 119.30 116.62 2dax s MET 72 Ca 0.28 -1.83 -0.00 0.00 -1.03 0.00 0.00 55.69 53.11 2dax s MET 72 Cb 0.01 -0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 32.99 2dax s MET 72 CO 0.12 -0.33 0.05 0.00 -2.03 0.00 0.00 175.02 172.83 2dax s ALA 73 N -3.67 1.00 -0.29 3.16 0.00 -0.89 -4.88 121.76 116.21 2dax s ALA 73 Ca 0.37 -1.52 -0.17 0.00 0.00 0.00 0.00 51.96 50.64 2dax s ALA 73 Cb 0.07 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 2dax s ALA 73 CO 0.15 -0.46 0.46 1.41 0.00 0.00 0.00 175.76 177.32 2dax s MET 74 N -4.03 3.94 -0.26 0.00 1.75 -1.26 -2.94 119.30 116.49 2dax s MET 74 Ca 0.25 0.10 -0.08 0.00 -1.25 0.00 0.00 55.69 54.71 2dax s MET 74 Cb 0.07 -3.69 -0.03 0.00 2.84 0.00 0.00 34.83 34.02 2dax s MET 74 CO 0.03 -0.40 0.10 -0.06 -0.65 0.00 0.00 175.02 174.04 2dax s PHE 75 N 2.24 3.12 -0.20 4.11 0.40 -0.35 -4.55 117.98 122.73 2dax s PHE 75 Ca 0.18 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 56.02 2dax s PHE 75 Cb -0.16 -2.27 -0.05 0.00 0.51 0.00 0.00 43.02 41.05 2dax s PHE 75 CO 0.10 -0.35 0.20 -1.12 0.70 0.00 0.00 175.22 174.76 2dax s SER 76 N 1.63 6.25 -0.51 1.36 0.01 -0.27 -1.80 113.70 120.38 2dax s SER 76 Ca 0.06 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2dax s SER 76 Cb -0.15 -2.13 0.13 0.00 0.21 0.00 0.00 66.02 64.08 2dax s SER 76 CO 0.05 0.11 0.28 -0.76 0.41 0.00 0.00 173.24 173.32 2dax s LEU 77 N 0.67 4.87 -0.64 2.44 1.02 -0.92 -0.62 118.68 125.50 2dax s LEU 77 Ca 0.11 -2.65 -0.27 0.00 0.02 0.00 0.00 54.13 51.34 2dax s LEU 77 Cb -0.12 -1.75 0.00 0.00 0.02 0.00 0.00 46.19 44.34 2dax s LEU 77 CO 0.02 -0.36 1.60 0.00 0.02 0.00 0.00 176.35 177.63 2dax s ALA 78 N 0.23 2.49 -0.20 4.21 0.00 -0.88 -3.25 121.76 124.36 2dax s ALA 78 Ca 0.14 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2dax s ALA 78 Cb -0.22 -4.25 -0.02 0.00 0.00 0.00 0.00 23.12 18.63 2dax s ALA 78 CO -0.03 -3.50 -0.02 0.00 0.00 0.00 0.00 175.76 172.20 2dax s ILE 80 N 1.01 3.16 -0.40 0.00 1.01 -1.07 -3.21 121.20 121.70 2dax s ILE 80 Ca 0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 2dax s ILE 80 Cb -0.14 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.07 2dax s ILE 80 CO 0.01 0.54 0.25 -0.76 0.00 0.00 0.00 174.94 174.98 2dax s LEU 81 N 0.01 4.97 0.00 2.97 1.43 -1.01 -1.75 118.68 125.31 2dax s LEU 81 Ca -0.04 -1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 51.72 2dax s LEU 81 Cb -0.14 -2.04 0.23 0.00 0.03 0.00 0.00 46.19 44.28 2dax s LEU 81 CO 0.04 -0.47 0.83 -0.81 0.23 0.00 0.00 176.35 176.18 2dax n PRO 82 N 5.00 -2.65 -0.72 1.29 -0.04 -1.26 -3.57 135.00 133.05 2dax n PRO 82 Ca -0.11 -1.33 -0.09 0.00 -0.04 0.00 0.00 63.50 61.92 2dax n PRO 82 Cb 0.45 -1.25 0.16 0.00 -0.04 0.00 0.00 33.50 32.82 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 -4.31 1.76 -0.00 0.54 3.72 -1.26 -4.10 117.46 113.81 2dax n PHE 83 Ca 0.12 -1.07 -0.00 0.00 -0.05 0.00 0.00 57.45 56.44 2dax n PHE 83 Cb 0.45 -0.59 -0.00 0.00 -0.94 0.00 0.00 39.48 38.40 2dax n PHE 83 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2dax n LYS 84 N -0.25 0.01 -0.57 -1.08 5.02 -1.26 -5.06 118.16 114.97 2dax n LYS 84 Ca 0.32 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.41 2dax n LYS 84 Cb 1.12 -0.66 -0.01 0.00 -0.02 0.00 0.00 35.03 35.46 2dax n LYS 84 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2dax n TYR 85 N -2.88 -0.24 0.58 2.13 9.36 -1.24 -1.09 117.16 123.78 2dax n TYR 85 Ca -0.01 0.39 0.07 0.00 3.32 0.00 0.00 57.90 61.67 2dax n TYR 85 Cb 0.51 -0.80 0.33 0.00 -0.63 0.00 0.00 39.34 38.75 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 0.42 0.10 0.00 2.98 -0.04 -1.26 -4.77 135.00 132.42 2dax n PRO 86 Ca 0.07 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2dax n PRO 86 Cb 0.11 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.40 0.00 -2.84 0.55 0.00 -0.25 -4.03 120.51 112.54 2dax n ALA 87 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 2dax n ALA 87 Cb 0.14 0.26 -0.10 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 -2.06 4.68 0.74 0.00 -7.23 -1.26 -4.58 120.40 110.70 2dax s VAL 88 Ca 0.00 -0.07 -0.16 0.00 -1.81 0.00 0.00 61.98 59.94 2dax s VAL 88 Cb 0.00 -3.10 -0.02 0.00 0.56 0.00 0.00 36.38 33.82 2dax s VAL 88 CO 0.00 0.47 0.66 0.18 -0.31 0.00 0.00 175.10 176.10 2dax n LEU 89 N 3.53 1.61 -4.61 1.32 4.77 -1.26 -3.72 117.00 118.64 2dax n LEU 89 Ca -0.17 0.59 -0.30 0.00 -0.03 0.00 0.00 56.01 56.11 2dax n LEU 89 Cb 0.52 -1.28 0.23 0.00 -2.33 0.00 0.00 43.42 40.56 2dax n LEU 89 CO 0.35 -2.81 0.63 -2.16 -1.33 0.00 0.00 177.39 172.07 2dax s PRO 90 N -3.02 -0.92 -0.78 3.23 0.04 -1.26 -4.88 135.00 127.40 2dax s PRO 90 Ca 0.67 0.04 -0.01 0.00 0.04 0.00 0.00 61.00 61.74 2dax s PRO 90 Cb -0.34 -1.62 0.19 0.00 0.04 0.00 0.00 34.50 32.78 2dax s PRO 90 CO 0.56 -3.53 0.63 -2.00 0.04 0.00 0.00 177.00 172.70 2dax s GLU 91 N -5.32 2.95 -0.18 4.56 2.12 -0.71 -4.91 118.70 117.21 2dax s GLU 91 Ca 0.70 -3.03 -0.21 0.00 0.36 0.00 0.00 54.97 52.79 2dax s GLU 91 Cb -0.11 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.42 2dax s GLU 91 CO 0.56 -1.24 0.62 0.42 -0.54 0.00 0.00 175.26 175.08 2dax s ILE 92 N -0.92 5.04 -0.29 -3.70 1.01 -1.24 -2.59 121.20 118.51 2dax s ILE 92 Ca 0.24 1.17 0.02 0.00 0.00 0.00 0.00 60.65 62.08 2dax s ILE 92 Cb -0.11 -3.94 0.08 0.00 0.01 0.00 0.00 42.46 38.50 2dax s ILE 92 CO -0.10 0.14 0.01 -0.89 0.00 0.00 0.00 174.94 174.10 2dax s THR 93 N 1.70 1.80 -0.03 2.92 2.01 0.44 -4.93 115.64 119.54 2dax s THR 93 Ca 0.29 -1.76 -0.30 0.00 0.31 0.00 0.00 61.69 60.23 2dax s THR 93 Cb -0.16 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 2dax s THR 93 CO 0.11 -0.39 1.19 -0.69 -0.69 0.00 0.00 174.62 174.15 2dax s VAL 94 N 1.20 4.25 -0.00 3.82 1.01 -1.26 -2.06 120.40 127.35 2dax s VAL 94 Ca 0.03 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.61 2dax s VAL 94 Cb -0.19 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 2dax s VAL 94 CO -0.10 0.02 -0.04 -0.13 0.00 0.00 0.00 175.10 174.85 2dax s ARG 95 N 1.97 0.30 -0.24 2.72 1.81 0.21 -4.73 118.95 121.00 2dax s ARG 95 Ca 0.56 -0.16 -0.20 0.00 -1.72 0.00 0.00 55.73 54.21 2dax s ARG 95 Cb -0.25 -0.28 0.06 0.00 -0.45 0.00 0.00 34.95 34.03 2dax s ARG 95 CO 0.23 0.07 0.63 0.45 -0.68 0.00 0.00 175.30 176.00 2dax s SER 96 N -0.17 -0.70 0.48 0.23 0.15 -1.26 -1.12 113.70 111.32 2dax s SER 96 Ca 0.01 1.29 0.14 0.00 0.70 0.00 0.00 55.95 58.09 2dax s SER 96 Cb -0.02 1.27 1.15 0.00 -1.71 0.00 0.00 66.02 66.71 2dax s SER 96 CO -0.00 -0.22 2.10 -0.37 1.20 0.00 0.00 173.24 175.95 2dax h VAL 97 N 4.41 1.00 0.39 4.45 -1.51 -2.02 -2.80 116.25 120.18 2dax h VAL 97 Ca -0.29 -0.06 -0.02 0.00 -1.23 0.00 0.00 66.70 65.09 2dax h VAL 97 Cb 1.18 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2dax h VAL 97 CO 0.13 0.03 -0.19 -0.07 -1.23 0.00 0.00 177.57 176.25 2dax h LEU 98 N 0.18 -0.44-10.19 4.19 -0.00 -1.96 -3.44 115.31 103.65 2dax h LEU 98 Ca 0.08 -0.12 -0.53 0.00 -0.00 0.00 0.00 57.88 57.31 2dax h LEU 98 Cb 0.10 0.11 0.15 0.00 -0.00 0.00 0.00 40.66 41.03 2dax h LEU 98 CO -0.01 -0.10 0.38 -0.76 -0.00 0.00 0.00 178.44 177.95 2dax s LEU 99 N -9.57 3.29 0.39 1.67 1.43 -1.06 -5.01 118.68 109.82 2dax s LEU 99 Ca -0.14 2.29 -0.08 0.00 -1.03 0.00 0.00 54.13 55.17 2dax s LEU 99 Cb 0.02 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 2dax s LEU 99 CO 0.53 -2.22 0.71 -0.55 0.23 0.00 0.00 176.35 175.05 2dax s SER 100 N -2.16 6.45 0.34 2.29 0.15 -1.26 -4.79 113.70 114.71 2dax s SER 100 Ca 0.73 0.98 0.12 0.00 0.70 0.00 0.00 55.95 58.47 2dax s SER 100 Cb -0.27 -2.26 0.95 0.00 -1.71 0.00 0.00 66.02 62.73 2dax s SER 100 CO 0.46 -0.38 1.73 0.08 1.20 0.00 0.00 173.24 176.33 2dax h ARG 101 N 1.16 0.51 0.06 5.44 0.11 -1.95 0.21 114.38 119.92 2dax h ARG 101 Ca -0.47 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 59.57 2dax h ARG 101 Cb 1.19 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.16 2dax h ARG 101 CO 0.64 0.33 -0.03 0.77 0.10 0.00 0.00 179.97 181.79 2dax h SER 102 N 0.52 -0.07 0.02 0.08 0.02 -2.01 -3.30 113.55 108.81 2dax h SER 102 Ca 0.65 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 2dax h SER 102 Cb 1.33 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.85 2dax h SER 102 CO -0.45 0.60 -0.38 1.56 -1.14 0.00 0.00 176.83 177.02 2dax h GLN 103 N -0.98 -0.47 -0.73 3.45 4.20 -1.78 -2.25 115.11 116.55 2dax h GLN 103 Ca -0.01 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.85 2dax h GLN 103 Cb 0.45 0.11 -0.12 0.00 0.30 0.00 0.00 27.48 28.22 2dax h GLN 103 CO 0.01 -0.31 -0.28 0.94 -0.67 0.00 0.00 178.83 178.52 2dax n GLN 104 N -4.58 -0.17 0.10 1.46 -0.06 0.69 0.14 117.38 114.96 2dax n GLN 104 Ca -0.05 1.13 -0.15 0.00 -2.00 0.00 0.00 57.00 55.93 2dax n GLN 104 Cb 0.28 -1.68 -0.08 0.00 -4.06 0.00 0.00 30.24 24.70 2dax n GLN 104 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 2dax h THR 105 N 0.00 0.09 -1.07 1.69 2.02 -1.49 -0.96 112.91 113.19 2dax h THR 105 Ca 0.26 0.00 0.39 0.00 0.77 0.00 0.00 66.41 67.83 2dax h THR 105 Cb 0.45 0.09 -0.16 0.00 -1.74 0.00 0.00 68.15 66.78 2dax h THR 105 CO -0.73 0.00 0.62 -0.61 0.37 0.00 0.00 175.52 175.17 2dax h GLN 106 N -0.68 0.13 0.00 6.66 5.75 0.02 0.22 115.11 127.22 2dax h GLN 106 Ca 0.02 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2dax h GLN 106 Cb 0.71 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.23 2dax h GLN 106 CO -0.29 0.09 0.00 -0.11 -2.65 0.00 0.00 178.83 175.87 2dax n LEU 107 N -5.06 0.21 -0.33 -2.39 0.00 -0.40 -3.06 117.00 105.97 2dax n LEU 107 Ca 0.36 0.73 0.21 0.00 0.00 0.00 0.00 56.01 57.30 2dax n LEU 107 Cb 1.21 -0.34 0.42 0.00 0.00 0.00 0.00 43.42 44.71 2dax n LEU 107 CO 0.08 -0.34 1.08 -0.55 0.00 0.00 0.00 177.39 177.66 2dax h ASN 108 N 0.00 0.40 -1.03 1.96 7.08 -0.99 0.53 115.58 123.53 2dax h ASN 108 Ca 0.00 0.19 0.26 0.00 -3.08 0.00 0.00 56.30 53.67 2dax h ASN 108 Cb 0.00 0.16 -0.10 0.00 -2.08 0.00 0.00 38.32 36.30 2dax h ASN 108 CO 0.00 -0.12 0.66 0.74 -2.08 0.00 0.00 177.43 176.62 2dax h THR 109 N 0.32 0.53 0.11 6.14 2.02 -0.60 -0.32 112.91 121.10 2dax h THR 109 Ca 0.68 -0.15 -0.33 0.00 0.77 0.00 0.00 66.41 67.38 2dax h THR 109 Cb 1.51 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2dax h THR 109 CO -0.61 0.08 -1.77 0.44 0.37 0.00 0.00 175.52 174.03 2dax h ASP 110 N 0.44 0.36 -0.84 4.18 5.19 0.09 -3.32 116.42 122.53 2dax h ASP 110 Ca 0.60 -0.66 0.20 0.00 -0.62 0.00 0.00 57.03 56.55 2dax h ASP 110 Cb 1.44 -0.12 -0.12 0.00 0.18 0.00 0.00 39.33 40.72 2dax h ASP 110 CO -0.33 1.57 0.29 0.25 -3.12 0.00 0.00 179.24 177.91 2dax h LEU 111 N 0.06 0.17 0.64 1.55 5.85 0.13 -2.07 115.31 121.65 2dax h LEU 111 Ca -0.33 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 2dax h LEU 111 Cb 2.04 0.17 0.01 0.00 0.37 0.00 0.00 40.66 43.24 2dax h LEU 111 CO 0.12 -0.03 -0.31 0.74 -0.34 0.00 0.00 178.44 178.63 2dax h THR 112 N 0.33 0.00 -0.83 1.05 2.02 -1.54 -3.21 112.91 110.73 2dax h THR 112 Ca 0.50 -0.37 0.24 0.00 0.77 0.00 0.00 66.41 67.55 2dax h THR 112 Cb 0.92 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.18 2dax h THR 112 CO -0.54 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.41 2dax n ALA 113 N -2.72 0.47 -0.24 6.16 0.00 -0.91 0.36 120.51 123.63 2dax n ALA 113 Ca -0.11 0.89 -0.05 0.00 0.00 0.00 0.00 53.44 54.17 2dax n ALA 113 Cb 0.34 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2dax n ALA 113 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2dax h PHE 114 N 0.00 -1.05 0.03 0.00 3.57 -1.39 -1.32 116.94 116.78 2dax h PHE 114 Ca 0.52 0.08 -0.00 0.00 3.53 0.00 0.00 57.97 62.10 2dax h PHE 114 Cb 1.12 0.55 0.00 0.00 2.79 0.00 0.00 35.95 40.41 2dax h PHE 114 CO -0.38 -0.40 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.22 2dax h LEU 115 N -0.15 -0.03 -0.87 0.59 3.38 -0.21 -0.48 115.31 117.55 2dax h LEU 115 Ca 0.24 -0.20 0.34 0.00 0.09 0.00 0.00 57.88 58.35 2dax h LEU 115 Cb 0.56 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.19 2dax h LEU 115 CO -0.74 0.18 0.51 0.00 0.09 0.00 0.00 178.44 178.48 2dax n GLN 116 N -5.01 -0.04 -0.06 1.13 6.02 -0.53 0.14 117.38 119.03 2dax n GLN 116 Ca -0.08 1.04 -0.05 0.00 -0.01 0.00 0.00 57.00 57.90 2dax n GLN 116 Cb 0.13 -1.92 -0.02 0.00 1.02 0.00 0.00 30.24 29.45 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 -4.59 0.40 0.36 -1.09 0.00 -1.01 -4.45 118.16 107.78 2dax n LYS 117 Ca 0.30 0.39 -0.15 0.00 0.00 0.00 0.00 58.31 58.85 2dax n LYS 117 Cb 1.07 -1.46 -0.07 0.00 0.00 0.00 0.00 35.03 34.57 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 -0.83 -0.94 -3.30 5.64 3.86 -0.13 -3.38 115.15 116.06 2dax h HIS 118 Ca 0.00 -0.02 -0.74 0.00 -1.16 0.00 0.00 60.37 58.45 2dax h HIS 118 Cb 0.54 0.32 -0.23 0.00 1.06 0.00 0.00 27.41 29.10 2dax h HIS 118 CO -0.23 -0.56 -0.33 0.00 0.86 0.00 0.00 177.93 177.66 2dax s HIS 120 N 1.61 1.82 0.00 0.00 5.04 -1.24 -3.59 115.29 118.93 2dax s HIS 120 Ca 0.04 -1.93 0.00 0.00 -1.54 0.00 0.00 55.06 51.63 2dax s HIS 120 Cb -0.25 -1.78 0.00 0.00 0.04 0.00 0.00 32.58 30.59 2dax s HIS 120 CO 0.06 -0.86 0.00 0.41 -2.34 0.00 0.00 174.74 172.01 2dax n GLY 121 N 4.53 1.32 3.12 1.59 0.00 -1.26 -5.10 105.19 109.40 2dax n GLY 121 Ca 0.01 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 2dax n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dax n ASP 122 N 0.57 -0.95 -4.22 1.61 9.92 -1.26 -4.81 116.55 117.41 2dax n ASP 122 Ca 0.00 -2.96 -0.35 0.00 -0.53 0.00 0.00 54.79 50.94 2dax n ASP 122 Cb 0.16 1.96 -0.14 0.00 -0.64 0.00 0.00 41.12 42.46 2dax n ASP 122 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2dax s VAL 123 N -3.07 3.21 -0.30 2.53 -7.23 -1.26 -4.61 120.40 109.67 2dax s VAL 123 Ca 0.33 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2dax s VAL 123 Cb 0.01 -2.73 0.19 0.00 0.56 0.00 0.00 36.38 34.41 2dax s VAL 123 CO 0.24 0.02 0.66 0.00 -0.31 0.00 0.00 175.10 175.71 2dax n ILE 125 N 5.41 1.53 -0.23 0.00 2.08 -1.26 -4.51 119.36 122.38 2dax n ILE 125 Ca 0.02 -0.20 -0.06 0.00 0.56 0.00 0.00 62.75 63.06 2dax n ILE 125 Cb 0.53 -1.98 -0.01 0.00 -0.75 0.00 0.00 39.64 37.43 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 -1.37 -0.72 1.39 3.38 -1.99 0.18 115.31 115.17 2dax h LEU 126 Ca -0.51 0.25 0.30 0.00 0.09 0.00 0.00 57.88 58.01 2dax h LEU 126 Cb 1.43 0.66 -0.13 0.00 0.09 0.00 0.00 40.66 42.71 2dax h LEU 126 CO -0.31 -0.32 0.38 0.59 0.09 0.00 0.00 178.44 178.88 2dax n ASN 127 N -5.42 0.25 0.05 -0.43 3.02 -1.26 0.14 115.26 111.60 2dax n ASN 127 Ca 0.04 1.20 -0.13 0.00 -0.03 0.00 0.00 54.58 55.66 2dax n ASN 127 Cb 0.36 -0.58 -0.09 0.00 -0.61 0.00 0.00 39.78 38.86 2dax n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dax h ALA 128 N 1.44 -0.16 -0.45 5.41 0.00 -0.88 -2.92 119.26 121.70 2dax h ALA 128 Ca 0.61 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.43 2dax h ALA 128 Cb 1.61 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 2dax h ALA 128 CO -0.56 -0.36 0.40 1.79 0.00 0.00 0.00 179.25 180.53 2dax h THR 129 N -0.62 0.52 0.00 0.00 1.35 0.14 0.46 112.91 114.76 2dax h THR 129 Ca -0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.77 2dax h THR 129 Cb 0.49 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 2dax h THR 129 CO 0.03 0.00 -0.34 -0.33 -0.25 0.00 0.00 175.52 174.62 2dax h GLU 130 N 0.00 0.00 0.00 4.72 4.39 -1.07 -2.72 114.58 119.90 2dax h GLU 130 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2dax h GLU 130 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2dax h GLU 130 CO -0.00 0.34 -0.37 1.87 -1.16 0.00 0.00 179.01 179.69 2dax n TRP 131 N -3.24 0.38 -0.09 4.33 -0.00 0.16 -3.91 117.44 115.07 2dax n TRP 131 Ca 0.02 0.11 -0.12 0.00 -0.00 0.00 0.00 57.50 57.51 2dax n TRP 131 Cb 0.63 -0.58 -0.05 0.00 -0.00 0.00 0.00 31.31 31.31 2dax n TRP 131 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2dax n VAL 132 N -1.87 1.47 0.31 5.87 0.31 -0.88 -2.94 118.33 120.60 2dax n VAL 132 Ca 0.05 0.08 0.09 0.00 -0.01 0.00 0.00 64.34 64.56 2dax n VAL 132 Cb 0.39 -2.24 0.49 0.00 -0.91 0.00 0.00 33.84 31.57 2dax n VAL 132 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2dax h ARG 133 N -1.00 0.00 0.00 5.55 0.11 -1.65 0.50 114.38 117.89 2dax h ARG 133 Ca -0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.92 2dax h ARG 133 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 2dax h ARG 133 CO -0.10 0.00 -0.40 0.39 0.10 0.00 0.00 179.97 179.96 2dax n GLU 134 N -2.64 0.27 -0.12 0.08 1.02 -1.25 -4.41 120.64 113.58 2dax n GLU 134 Ca -0.01 0.28 -0.05 0.00 -0.02 0.00 0.00 57.16 57.36 2dax n GLU 134 Cb 0.58 -1.16 0.03 0.00 -0.02 0.00 0.00 31.44 30.86 2dax n GLU 134 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dax h HIS 135 N -0.56 0.16 0.00 -0.32 3.86 -1.31 -3.13 115.15 113.85 2dax h HIS 135 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2dax h HIS 135 Cb 0.40 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.86 2dax h HIS 135 CO -0.17 0.03 0.00 0.00 0.86 0.00 0.00 177.93 178.65 2dax n ALA 136 N -2.43 0.00 -0.52 2.45 0.00 0.17 0.20 120.51 120.38 2dax n ALA 136 Ca 0.03 0.00 0.43 0.00 0.00 0.00 0.00 53.44 53.90 2dax n ALA 136 Cb 0.18 0.36 0.71 0.00 0.00 0.00 0.00 19.45 20.69 2dax n ALA 136 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dax n SER 137 N -2.62 0.17 0.23 0.00 3.41 -1.18 0.14 113.62 113.77 2dax n SER 137 Ca 0.00 1.32 -0.15 0.00 -0.26 0.00 0.00 58.87 59.78 2dax n SER 137 Cb 0.00 -0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 63.22 2dax n SER 137 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2dax h GLY 138 N 0.00 -0.56 0.80 5.00 0.00 0.21 -3.08 103.07 105.44 2dax h GLY 138 Ca 0.90 0.21 0.03 0.00 0.00 0.00 0.00 47.33 48.47 2dax h GLY 138 CO -0.39 -0.20 0.26 -0.97 0.00 0.00 0.00 176.54 175.24 2dax h TYR 139 N -0.57 0.49 -2.95 5.60 -1.99 0.04 -3.40 116.97 114.18 2dax h TYR 139 Ca -0.05 0.02 -0.57 0.00 2.00 0.00 0.00 58.73 60.12 2dax h TYR 139 Cb 0.43 -0.15 -0.05 0.00 2.00 0.00 0.00 36.73 38.97 2dax h TYR 139 CO -0.04 0.26 0.88 0.14 -0.00 0.00 0.00 178.16 179.39 2dax s VAL 140 N -6.14 4.39 -0.12 -2.88 -7.23 -0.92 -5.01 120.40 102.49 2dax s VAL 140 Ca -0.13 1.68 -0.06 0.00 -1.81 0.00 0.00 61.98 61.66 2dax s VAL 140 Cb 0.13 -4.08 0.05 0.00 0.56 0.00 0.00 36.38 33.04 2dax s VAL 140 CO 0.73 -0.15 0.27 -0.55 -0.31 0.00 0.00 175.10 175.09 2dax s SER 141 N 1.77 -0.15 -1.26 4.85 0.15 -1.26 -4.81 113.70 112.99 2dax s SER 141 Ca 0.52 0.58 -0.02 0.00 0.70 0.00 0.00 55.95 57.73 2dax s SER 141 Cb -0.20 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.64 2dax s SER 141 CO 0.12 -0.19 0.93 0.54 1.20 0.00 0.00 173.24 175.85 2dax n ARG 142 N 4.50 -6.22 -0.32 5.44 5.12 -1.26 -4.86 116.66 119.05 2dax n ARG 142 Ca -0.21 0.77 0.08 0.00 -1.93 0.00 0.00 57.85 56.56 2dax n ARG 142 Cb 0.52 -5.65 0.18 0.00 -1.16 0.00 0.00 32.46 26.35 2dax n ARG 142 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 2dax h ASP 143 N -1.98 -0.66 -1.81 0.55 2.03 -1.91 -3.42 116.42 109.22 2dax h ASP 143 Ca -0.59 0.27 -0.55 0.00 -0.73 0.00 0.00 57.03 55.42 2dax h ASP 143 Cb 1.35 0.51 0.16 0.00 -0.83 0.00 0.00 39.33 40.52 2dax h ASP 143 CO 0.53 -0.30 -1.04 1.07 -1.03 0.00 0.00 179.24 178.47 2dax n THR 144 N -5.52 0.04 0.01 1.15 5.66 -1.26 -4.89 114.28 109.46 2dax n THR 144 Ca 0.17 -0.46 0.01 0.00 -3.05 0.00 0.00 64.05 60.72 2dax n THR 144 Cb 0.56 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.23 2dax n THR 144 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2dax n SER 145 N 2.27 0.57 -4.14 1.09 3.41 -1.26 -4.98 113.62 110.57 2dax n SER 145 Ca 0.07 0.25 -0.30 0.00 -0.26 0.00 0.00 58.87 58.63 2dax n SER 145 Cb 0.43 0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 64.96 2dax n SER 145 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dax n SER 146 N -2.74 -0.67 -0.09 4.04 2.88 -1.26 -4.87 113.62 110.91 2dax n SER 146 Ca -0.12 -1.10 -0.13 0.00 -1.33 0.00 0.00 58.87 56.19 2dax n SER 146 Cb 0.83 -2.51 -0.04 0.00 -0.75 0.00 0.00 64.21 61.73 2dax n SER 146 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dax n SER 147 N -2.86 1.81 0.00 -3.46 3.41 -1.26 -5.14 113.62 106.12 2dax n SER 147 Ca -0.21 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2dax n SER 147 Cb 0.64 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2dax n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dax n GLY 148 N 1.63 3.53 0.00 5.00 0.00 -1.26 -4.84 105.19 109.26 2dax n GLY 148 Ca -0.23 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.19 2dax n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dax n PRO 149 N -1.00 0.37 -1.46 1.61 -0.04 -1.26 -4.77 135.00 128.44 2dax n PRO 149 Ca 0.00 0.06 -0.46 0.00 -0.04 0.00 0.00 63.50 63.06 2dax n PRO 149 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2dax n PRO 149 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dax n SER 150 N -1.12 1.52 -3.12 3.54 7.64 -1.26 -0.15 113.62 120.67 2dax n SER 150 Ca 0.10 0.17 -0.17 0.00 1.01 0.00 0.00 58.87 59.97 2dax n SER 150 Cb 0.08 -1.20 0.07 0.00 -1.01 0.00 0.00 64.21 62.15 2dax n SER 150 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dax n SER 151 N 11.17 -3.60 0.00 6.43 2.88 -1.26 -5.21 113.62 124.02 2dax n SER 151 Ca 0.49 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2dax n SER 151 Cb 0.22 -4.45 0.00 0.00 -0.75 0.00 0.00 64.21 59.23 2dax n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42