#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 3.61 0.30 1.61 0.01 -1.26 -5.12 113.70 112.86 2dax s SER 2 Ca 0.00 -2.25 0.09 0.00 1.31 0.00 0.00 55.95 55.10 2dax s SER 2 Cb 0.00 -0.85 -0.05 0.00 0.21 0.00 0.00 66.02 65.33 2dax s SER 2 CO 0.00 -0.32 0.02 -0.44 0.41 0.00 0.00 173.24 172.91 2dax s SER 3 N 0.86 4.41 -0.30 2.44 0.01 -1.26 -5.13 113.70 114.73 2dax s SER 3 Ca 0.15 -0.80 -0.14 0.00 1.31 0.00 0.00 55.95 56.48 2dax s SER 3 Cb -0.22 -0.70 0.16 0.00 0.21 0.00 0.00 66.02 65.47 2dax s SER 3 CO -0.07 -0.13 0.93 -0.83 0.41 0.00 0.00 173.24 173.56 2dax s GLY 4 N -3.71 -0.29 0.36 3.44 0.00 -1.26 -5.16 107.32 100.69 2dax s GLY 4 Ca 0.34 2.92 -0.15 0.00 0.00 0.00 0.00 44.72 47.82 2dax s GLY 4 CO 0.20 3.22 0.78 -0.56 0.00 0.00 0.00 173.10 176.74 2dax s SER 5 N 2.54 6.75 0.41 1.64 0.01 -1.26 -5.05 113.70 118.72 2dax s SER 5 Ca -0.03 1.32 -0.23 0.00 1.31 0.00 0.00 55.95 58.32 2dax s SER 5 Cb -0.07 -2.39 -0.10 0.00 0.21 0.00 0.00 66.02 63.67 2dax s SER 5 CO -0.18 -0.27 0.98 -0.94 0.41 0.00 0.00 173.24 173.24 2dax s SER 6 N -2.44 6.91 -0.68 2.44 1.04 -1.26 -4.81 113.70 114.91 2dax s SER 6 Ca 0.55 1.83 0.02 0.00 0.48 0.00 0.00 55.95 58.83 2dax s SER 6 Cb -0.10 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.83 2dax s SER 6 CO 0.20 -0.38 1.49 0.61 0.98 0.00 0.00 173.24 176.14 2dax n GLY 7 N -0.10 5.81 0.11 7.32 0.00 -1.26 -4.79 105.19 112.27 2dax n GLY 7 Ca 0.06 -2.65 -0.03 0.00 0.00 0.00 0.00 46.02 43.40 2dax n GLY 7 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dax h GLU 8 N 3.00 -0.20 -0.97 1.61 4.39 -2.00 -3.29 114.58 117.13 2dax h GLU 8 Ca 0.40 0.01 0.23 0.00 0.34 0.00 0.00 59.36 60.34 2dax h GLU 8 Cb 0.47 0.04 -0.18 0.00 -0.10 0.00 0.00 28.75 28.99 2dax h GLU 8 CO 1.09 -0.13 -0.10 0.37 -1.16 0.00 0.00 179.01 179.07 2dax h GLN 9 N -0.74 0.01 -1.00 2.33 4.15 -1.94 0.95 115.11 118.87 2dax h GLN 9 Ca -0.02 -0.00 0.23 0.00 0.77 0.00 0.00 58.65 59.63 2dax h GLN 9 Cb 0.16 -0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.72 2dax h GLN 9 CO 0.03 0.01 0.58 0.00 -1.93 0.00 0.00 178.83 177.53 2dax h ALA 10 N 1.96 1.74 0.10 3.38 0.00 -1.90 -1.17 119.26 123.37 2dax h ALA 10 Ca 0.52 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 2dax h ALA 10 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2dax h ALA 10 CO -0.95 -0.23 -0.05 0.93 0.00 0.00 0.00 179.25 178.96 2dax h GLU 11 N 0.61 -0.13 -0.36 0.00 5.08 0.86 -3.19 114.58 117.44 2dax h GLU 11 Ca 0.63 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 59.03 2dax h GLU 11 Cb 1.14 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 2dax h GLU 11 CO -0.46 0.19 -0.21 0.00 -1.00 0.00 0.00 179.01 177.53 2dax n ALA 12 N -2.33 -0.23 -0.02 3.43 0.00 -0.45 -0.31 120.51 120.60 2dax n ALA 12 Ca -0.09 0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.60 2dax n ALA 12 Cb 0.21 0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.21 -0.95 0.00 4.20 -1.62 -1.98 115.11 114.56 2dax h GLN 13 Ca 0.06 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.95 2dax h GLN 13 Cb 0.15 0.05 -0.17 0.00 0.30 0.00 0.00 27.48 27.81 2dax h GLN 13 CO -0.34 -0.14 -0.30 1.25 -0.67 0.00 0.00 178.83 178.63 2dax h LEU 14 N -0.22 -1.11 -0.18 1.46 5.85 -1.21 -1.64 115.31 118.26 2dax h LEU 14 Ca 0.02 0.29 0.02 0.00 0.84 0.00 0.00 57.88 59.05 2dax h LEU 14 Cb 0.27 0.65 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 2dax h LEU 14 CO -0.20 -0.30 -0.11 0.00 -0.34 0.00 0.00 178.44 177.49 2dax n ALA 15 N -3.50 -0.12 -0.04 1.25 0.00 0.58 -0.56 120.51 118.12 2dax n ALA 15 Ca 0.13 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 2dax n ALA 15 Cb 0.44 0.25 -0.09 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.44 -0.96 0.00 4.57 -1.27 -0.79 114.58 115.70 2dax h GLU 16 Ca 0.03 0.03 0.26 0.00 -1.18 0.00 0.00 59.36 58.50 2dax h GLU 16 Cb 0.07 0.10 -0.18 0.00 -0.16 0.00 0.00 28.75 28.59 2dax h GLU 16 CO -0.17 -0.29 0.05 -0.07 -1.18 0.00 0.00 179.01 177.34 2dax h LEU 17 N -0.46 -0.42 -0.65 1.64 3.38 -0.95 0.84 115.31 118.69 2dax h LEU 17 Ca 0.04 0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.31 2dax h LEU 17 Cb 0.57 0.45 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 2dax h LEU 17 CO -0.42 -0.32 0.39 -0.78 0.09 0.00 0.00 178.44 177.40 2dax h ASP 18 N 0.03 0.61 -0.24 -0.43 3.58 0.61 -1.22 116.42 119.36 2dax h ASP 18 Ca 0.58 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 58.01 2dax h ASP 18 Cb 1.19 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 2dax h ASP 18 CO -0.88 0.41 0.01 0.25 -2.88 0.00 0.00 179.24 176.15 2dax h LEU 19 N 0.74 0.42 0.38 2.28 5.85 0.13 -3.14 115.31 121.96 2dax h LEU 19 Ca 0.28 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2dax h LEU 19 Cb 0.09 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2dax h LEU 19 CO -0.14 0.61 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.16 2dax h LEU 20 N 0.21 -0.92 -0.83 2.25 3.38 -0.53 -0.78 115.31 118.08 2dax h LEU 20 Ca 0.07 0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.32 2dax h LEU 20 Cb 0.40 0.30 -0.15 0.00 0.09 0.00 0.00 40.66 41.29 2dax h LEU 20 CO 0.01 -0.46 -0.03 0.00 0.09 0.00 0.00 178.44 178.04 2dax n ALA 21 N -2.61 0.37 -0.11 1.53 0.00 -0.49 0.14 120.51 119.34 2dax n ALA 21 Ca -0.09 0.89 -0.11 0.00 0.00 0.00 0.00 53.44 54.14 2dax n ALA 21 Cb 0.32 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 0.61 -0.91 0.00 0.87 -1.42 -3.02 113.55 109.67 2dax h SER 22 Ca 0.48 -0.33 0.10 0.00 -1.23 0.00 0.00 61.79 60.80 2dax h SER 22 Cb 0.93 -0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 62.65 2dax h SER 22 CO -0.79 0.79 0.55 0.24 -0.53 0.00 0.00 176.83 177.09 2dax h MET 23 N 0.40 0.89 -4.20 2.24 2.07 0.28 -3.34 114.93 113.28 2dax h MET 23 Ca 0.09 -0.05 -0.74 0.00 -2.07 0.00 0.00 59.70 56.92 2dax h MET 23 Cb 0.50 -0.20 -0.27 0.00 -1.87 0.00 0.00 31.60 29.77 2dax h MET 23 CO 0.02 0.59 -0.31 -0.06 1.07 0.00 0.00 176.91 178.22 2dax s PHE 24 N -6.00 3.33 0.10 -0.22 0.08 -0.14 -4.94 117.98 110.19 2dax s PHE 24 Ca -0.12 -1.55 -0.15 0.00 0.12 0.00 0.00 56.93 55.23 2dax s PHE 24 Cb 0.21 -3.62 -0.09 0.00 -0.57 0.00 0.00 43.02 38.95 2dax s PHE 24 CO 0.80 -1.00 1.42 -1.00 -0.10 0.00 0.00 175.22 175.34 2dax h PRO 25 N 8.67 0.69 0.00 0.24 0.13 -1.73 -3.45 132.00 136.56 2dax h PRO 25 Ca -0.26 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2dax h PRO 25 Cb 1.09 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2dax h PRO 25 CO 0.95 0.98 0.00 0.41 -0.23 0.00 0.00 178.00 180.10 2dax n GLY 26 N 0.16 -0.56 3.84 1.56 0.00 -1.26 -5.02 105.19 103.92 2dax n GLY 26 Ca -0.04 0.40 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 2dax n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dax n GLU 27 N 0.00 -0.76 -3.96 1.61 2.13 -1.26 0.24 120.64 118.63 2dax n GLU 27 Ca 0.00 -0.01 -0.29 0.00 0.66 0.00 0.00 57.16 57.52 2dax n GLU 27 Cb 0.00 -2.03 0.01 0.00 0.27 0.00 0.00 31.44 29.68 2dax n GLU 27 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2dax n ASN 28 N -1.61 -2.87 -0.04 4.31 3.02 -1.26 -4.91 115.26 111.90 2dax n ASN 28 Ca -0.17 -0.89 -0.03 0.00 -0.03 0.00 0.00 54.58 53.47 2dax n ASN 28 Cb 0.44 -3.48 -0.01 0.00 -0.61 0.00 0.00 39.78 36.12 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 -4.49 0.26 -4.26 3.52 -0.58 0.65 -4.58 120.64 111.16 2dax n GLU 29 Ca -0.08 0.37 -0.17 0.00 -0.42 0.00 0.00 57.16 56.85 2dax n GLU 29 Cb 0.58 -1.24 -0.15 0.00 -0.57 0.00 0.00 31.44 30.06 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 -6.57 1.97 -0.09 -4.62 0.20 -1.26 0.11 118.68 108.42 2dax s LEU 30 Ca -0.09 -0.13 -0.00 0.00 0.69 0.00 0.00 54.13 54.60 2dax s LEU 30 Cb 0.01 -0.37 0.02 0.00 -0.43 0.00 0.00 46.19 45.42 2dax s LEU 30 CO 0.14 0.08 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.59 2dax s ILE 31 N -0.10 0.78 -0.67 6.68 1.09 -0.68 -4.91 121.20 123.39 2dax s ILE 31 Ca 0.02 -0.15 -0.13 0.00 -1.10 0.00 0.00 60.65 59.29 2dax s ILE 31 Cb -0.04 -0.83 0.17 0.00 -1.06 0.00 0.00 42.46 40.70 2dax s ILE 31 CO -0.00 0.32 0.60 -0.69 -0.10 0.00 0.00 174.94 175.06 2dax s VAL 32 N 1.64 5.12 0.07 2.92 1.01 -1.26 -1.45 120.40 128.45 2dax s VAL 32 Ca 0.02 -2.13 -0.27 0.00 0.00 0.00 0.00 61.98 59.60 2dax s VAL 32 Cb -0.13 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 31.85 2dax s VAL 32 CO -0.06 -0.93 1.63 0.78 0.00 0.00 0.00 175.10 176.52 2dax h ASN 33 N 8.14 -0.31 -3.42 3.32 2.35 -1.95 -3.42 115.58 120.29 2dax h ASN 33 Ca -0.07 -0.03 -0.52 0.00 -0.55 0.00 0.00 56.30 55.12 2dax h ASN 33 Cb 1.05 0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2dax h ASN 33 CO 0.85 -0.18 0.51 -0.62 -1.65 0.00 0.00 177.43 176.34 2dax s ASP 34 N -4.91 7.19 0.00 5.81 -1.08 -1.10 -4.91 116.67 117.67 2dax s ASP 34 Ca -0.15 2.06 0.00 0.00 -0.52 0.00 0.00 52.55 53.94 2dax s ASP 34 Cb 0.04 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 2dax s ASP 34 CO 0.63 -0.32 0.00 0.00 0.52 0.00 0.00 175.17 176.00 2dax n GLN 35 N 2.99 1.89 0.24 4.34 1.13 -1.26 -4.75 117.38 121.95 2dax n GLN 35 Ca 0.05 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.99 2dax n GLN 35 Cb 0.46 -0.90 -0.06 0.00 0.11 0.00 0.00 30.24 29.85 2dax n GLN 35 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2dax h LEU 36 N 0.00 -0.87 -0.90 1.08 5.85 -1.99 -0.35 115.31 118.13 2dax h LEU 36 Ca 0.00 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.92 2dax h LEU 36 Cb 0.80 0.27 -0.14 0.00 0.37 0.00 0.00 40.66 41.96 2dax h LEU 36 CO 0.00 -0.47 -0.36 0.00 -0.34 0.00 0.00 178.44 177.27 2dax n ALA 37 N -2.57 -0.14 0.30 1.25 0.00 -1.26 -0.45 120.51 117.64 2dax n ALA 37 Ca -0.09 0.89 -0.17 0.00 0.00 0.00 0.00 53.44 54.08 2dax n ALA 37 Cb 0.32 -0.39 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 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 0.38 -0.98 0.00 2.07 -1.82 -0.69 116.25 115.21 2dax h VAL 38 Ca 0.30 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.07 2dax h VAL 38 Cb 0.53 0.38 -0.13 0.00 -1.52 0.00 0.00 31.29 30.55 2dax h VAL 38 CO -0.89 0.00 0.55 0.00 0.02 0.00 0.00 177.57 177.24 2dax h ALA 39 N -0.34 1.73 -0.27 1.67 0.00 0.95 0.11 119.26 123.11 2dax h ALA 39 Ca -0.06 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2dax h ALA 39 Cb 0.63 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2dax h ALA 39 CO 0.08 -0.32 -0.19 0.93 0.00 0.00 0.00 179.25 179.75 2dax h GLU 40 N 0.51 0.61 0.02 0.00 4.39 -0.36 -2.27 114.58 117.47 2dax h GLU 40 Ca 0.64 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 60.07 2dax h GLU 40 Cb 1.24 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 2dax h GLU 40 CO -0.50 0.88 -0.16 1.25 -1.16 0.00 0.00 179.01 179.32 2dax h LEU 41 N 0.34 -0.46 -0.35 1.33 5.85 0.70 0.18 115.31 122.90 2dax h LEU 41 Ca 0.05 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2dax h LEU 41 Cb 0.73 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2dax h LEU 41 CO 0.05 -0.22 0.18 0.11 -0.34 0.00 0.00 178.44 178.22 2dax h LYS 42 N -0.27 0.36 -0.99 1.25 1.57 -1.23 -2.27 116.57 114.98 2dax h LYS 42 Ca 0.05 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2dax h LYS 42 Cb 0.33 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 2dax h LYS 42 CO -0.14 0.24 0.64 0.22 -0.57 0.00 0.00 179.45 179.84 2dax h ASP 43 N 0.37 1.14 -0.29 0.86 3.58 -1.06 -2.67 116.42 118.34 2dax h ASP 43 Ca 0.14 -0.04 0.06 0.00 0.42 0.00 0.00 57.03 57.62 2dax h ASP 43 Cb 0.05 -0.29 -0.06 0.00 1.72 0.00 0.00 39.33 40.76 2dax h ASP 43 CO -0.10 0.84 -0.07 0.00 -2.88 0.00 0.00 179.24 177.03 2dax h ILE 45 N 0.01 0.76 -0.11 0.00 2.04 -1.18 0.62 117.51 119.64 2dax h ILE 45 Ca 0.14 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.02 2dax h ILE 45 Cb 0.21 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2dax h ILE 45 CO -0.30 0.00 0.02 -0.33 0.00 0.00 0.00 178.15 177.54 2dax h GLU 46 N -0.12 0.06 0.00 2.37 4.39 -1.18 -0.45 114.58 119.65 2dax h GLU 46 Ca 0.06 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2dax h GLU 46 Cb 0.20 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2dax h GLU 46 CO -0.14 0.04 0.00 1.63 -1.16 0.00 0.00 179.01 179.38 2dax n LYS 47 N -5.09 0.34 -4.21 2.33 5.02 0.56 -4.86 118.16 112.24 2dax n LYS 47 Ca -0.05 0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 56.02 2dax n LYS 47 Cb 0.06 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.03 -3.31 1.97 5.02 0.17 -4.92 118.16 113.89 2dax n LYS 48 Ca 0.09 0.24 -0.07 0.00 -2.02 0.00 0.00 58.31 56.55 2dax n LYS 48 Cb 0.10 -4.26 -0.06 0.00 -0.02 0.00 0.00 35.03 30.79 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 -3.95 -0.67 -1.02 -0.18 -1.32 -0.99 -4.84 115.64 102.67 2dax s THR 49 Ca 0.21 -0.15 -0.23 0.00 -1.21 0.00 0.00 61.69 60.32 2dax s THR 49 Cb -0.12 -0.90 0.01 0.00 -1.51 0.00 0.00 72.50 69.97 2dax s THR 49 CO 0.96 -0.17 1.69 -0.04 -2.21 0.00 0.00 174.62 174.85 2dax s MET 50 N 2.58 3.18 0.05 7.08 -1.94 -1.26 -4.78 119.30 124.21 2dax s MET 50 Ca 0.12 -0.92 -0.29 0.00 -1.71 0.00 0.00 55.69 52.90 2dax s MET 50 Cb -0.14 -5.26 -0.17 0.00 2.01 0.00 0.00 34.83 31.26 2dax s MET 50 CO -0.22 -2.77 1.50 0.93 -0.01 0.00 0.00 175.02 174.45 2dax h GLU 51 N 10.10 -0.59 0.00 2.03 5.08 -1.98 -3.48 114.58 125.74 2dax h GLU 51 Ca 0.19 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2dax h GLU 51 Cb 0.99 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2dax h GLU 51 CO 1.34 -0.33 0.00 0.41 -1.00 0.00 0.00 179.01 179.42 2dax n GLY 52 N -1.02 1.23 3.63 -3.84 0.00 -1.26 -5.11 105.19 98.82 2dax n GLY 52 Ca -0.11 -0.03 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 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 1.68 -0.09 1.61 1.74 -1.26 -4.91 116.66 115.43 2dax n ARG 53 Ca 0.00 0.60 -0.12 0.00 -0.77 0.00 0.00 57.85 57.55 2dax n ARG 53 Cb 0.00 -2.17 -0.09 0.00 -1.02 0.00 0.00 32.46 29.19 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 1.94 2.52 -4.57 0.55 2.88 -1.26 -4.97 113.62 110.71 2dax n SER 54 Ca 0.12 -0.09 -0.34 0.00 -1.33 0.00 0.00 58.87 57.23 2dax n SER 54 Cb 0.29 -0.23 -0.11 0.00 -0.75 0.00 0.00 64.21 63.42 2dax n SER 54 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dax s SER 55 N -5.71 5.00 0.36 -3.46 0.01 -1.26 -5.10 113.70 103.54 2dax s SER 55 Ca -0.24 -0.02 -0.25 0.00 1.31 0.00 0.00 55.95 56.75 2dax s SER 55 Cb 0.06 -1.67 -0.10 0.00 0.21 0.00 0.00 66.02 64.52 2dax s SER 55 CO 0.43 0.24 1.00 -0.54 0.41 0.00 0.00 173.24 174.78 2dax s LYS 56 N -0.05 4.39 -0.38 12.44 1.02 -1.26 -4.65 119.74 131.24 2dax s LYS 56 Ca 0.03 1.42 -0.28 0.00 0.02 0.00 0.00 55.97 57.16 2dax s LYS 56 Cb -0.13 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.48 2dax s LYS 56 CO 0.02 0.08 2.00 0.08 -0.92 0.00 0.00 175.35 176.61 2dax s VAL 57 N -1.64 3.28 -0.23 3.17 1.01 -1.24 -4.89 120.40 119.85 2dax s VAL 57 Ca 0.54 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 2dax s VAL 57 Cb -0.20 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2dax s VAL 57 CO 0.26 -0.35 0.14 -0.47 0.00 0.00 0.00 175.10 174.67 2dax s TYR 58 N 8.46 3.31 -0.26 5.22 5.04 -1.26 -2.71 117.35 135.15 2dax s TYR 58 Ca 0.85 0.19 -0.13 0.00 -2.44 0.00 0.00 57.07 55.53 2dax s TYR 58 Cb -0.22 -2.23 0.08 0.00 0.35 0.00 0.00 41.96 39.94 2dax s TYR 58 CO 0.30 0.09 0.62 -0.59 -1.34 0.00 0.00 175.55 174.63 2dax s PHE 59 N 0.90 -1.00 0.16 4.97 -0.71 -0.91 -2.70 117.98 118.69 2dax s PHE 59 Ca 0.07 1.97 -0.04 0.00 -1.04 0.00 0.00 56.93 57.89 2dax s PHE 59 Cb -0.13 0.57 -0.05 0.00 -1.21 0.00 0.00 43.02 42.20 2dax s PHE 59 CO 0.03 -0.51 0.38 0.99 -1.34 0.00 0.00 175.22 174.77 2dax s THR 60 N 1.80 5.18 -0.18 -4.49 2.01 -0.53 -1.61 115.64 117.83 2dax s THR 60 Ca -0.09 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2dax s THR 60 Cb -0.07 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.82 2dax s THR 60 CO -0.18 -0.03 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.98 2dax s ILE 61 N -1.73 1.60 -0.19 1.82 1.01 -0.77 -1.68 121.20 121.27 2dax s ILE 61 Ca 0.40 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 2dax s ILE 61 Cb -0.12 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2dax s ILE 61 CO 0.26 0.28 0.46 0.20 0.00 0.00 0.00 174.94 176.14 2dax s ASN 62 N 1.44 6.53 -0.16 3.58 0.01 0.30 -1.56 114.94 125.08 2dax s ASN 62 Ca 0.01 0.63 -0.01 0.00 -0.71 0.00 0.00 52.86 52.78 2dax s ASN 62 Cb -0.15 -2.27 0.05 0.00 0.41 0.00 0.00 41.25 39.29 2dax s ASN 62 CO -0.09 -0.11 -0.02 -0.04 -1.51 0.00 0.00 177.10 175.34 2dax s MET 63 N 1.32 1.07 -0.16 -0.60 -1.94 -1.04 -4.47 119.30 113.48 2dax s MET 63 Ca 0.22 -0.41 -0.26 0.00 -1.71 0.00 0.00 55.69 53.54 2dax s MET 63 Cb -0.15 -1.90 -0.01 0.00 2.01 0.00 0.00 34.83 34.78 2dax s MET 63 CO 0.09 -0.48 0.85 -0.80 -0.01 0.00 0.00 175.02 174.66 2dax s ASN 64 N 1.75 6.98 -0.00 3.03 -0.87 -1.26 -2.81 114.94 121.76 2dax s ASN 64 Ca 0.01 1.21 -0.06 0.00 -1.57 0.00 0.00 52.86 52.45 2dax s ASN 64 Cb -0.15 -2.46 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 2dax s ASN 64 CO -0.07 -0.40 0.11 -0.76 -2.57 0.00 0.00 177.10 173.41 2dax s LEU 65 N 2.10 1.66 0.15 0.60 1.43 -1.16 -4.99 118.68 118.47 2dax s LEU 65 Ca 0.39 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 2dax s LEU 65 Cb -0.17 0.54 -0.07 0.00 0.03 0.00 0.00 46.19 46.52 2dax s LEU 65 CO 0.13 -0.30 1.12 1.51 0.23 0.00 0.00 176.35 179.04 2dax s ASP 66 N -1.11 7.23 -0.16 2.29 -4.77 -1.26 -2.22 116.67 116.66 2dax s ASP 66 Ca -0.12 2.07 -0.09 0.00 -3.30 0.00 0.00 52.55 51.11 2dax s ASP 66 Cb -0.07 -2.60 -0.07 0.00 -1.09 0.00 0.00 42.92 39.09 2dax s ASP 66 CO 0.01 -0.27 -0.23 1.33 0.70 0.00 0.00 175.17 176.71 2dax n VAL 67 N 2.67 1.03 -3.89 2.11 0.24 -0.76 -4.91 118.33 114.83 2dax n VAL 67 Ca 0.04 -0.18 0.01 0.00 -2.04 0.00 0.00 64.34 62.17 2dax n VAL 67 Cb 0.46 -1.79 0.01 0.00 -1.47 0.00 0.00 33.84 31.05 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 -6.50 -0.01 -1.36 -1.34 0.01 -1.24 -4.99 113.70 98.27 2dax s SER 68 Ca -0.24 -0.29 -0.11 0.00 1.31 0.00 0.00 55.95 56.63 2dax s SER 68 Cb 0.09 0.23 0.08 0.00 0.21 0.00 0.00 66.02 66.62 2dax s SER 68 CO 0.31 -0.45 0.57 -0.67 0.41 0.00 0.00 173.24 173.41 2dax n ASP 69 N -0.97 -3.88 -2.38 2.44 -0.08 -1.26 0.21 116.55 110.63 2dax n ASP 69 Ca -0.00 -0.48 -0.13 0.00 -1.51 0.00 0.00 54.79 52.66 2dax n ASP 69 Cb 0.60 -3.19 -0.01 0.00 2.34 0.00 0.00 41.12 40.86 2dax n ASP 69 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dax n GLU 70 N -3.89 -2.13 -4.68 -0.67 -0.58 -1.26 -4.94 120.64 102.50 2dax n GLU 70 Ca -0.00 0.65 -0.31 0.00 -0.42 0.00 0.00 57.16 57.07 2dax n GLU 70 Cb 0.54 -5.24 -0.08 0.00 -0.57 0.00 0.00 31.44 26.09 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2dax s LYS 71 N -4.94 2.13 0.19 3.49 1.02 0.13 -5.06 119.74 116.71 2dax s LYS 71 Ca 0.00 -2.29 -0.06 0.00 0.02 0.00 0.00 55.97 53.64 2dax s LYS 71 Cb 0.00 -1.59 -0.02 0.00 -0.52 0.00 0.00 37.83 35.69 2dax s LYS 71 CO 0.00 -0.27 0.25 0.00 -0.92 0.00 0.00 175.35 174.41 2dax s MET 72 N -3.84 1.23 0.21 1.68 0.23 -1.26 -1.83 119.30 115.71 2dax s MET 72 Ca 0.16 -1.39 -0.04 0.00 -1.03 0.00 0.00 55.69 53.40 2dax s MET 72 Cb 0.04 0.34 -0.03 0.00 -1.53 0.00 0.00 34.83 33.65 2dax s MET 72 CO 0.08 -0.44 0.20 0.00 -2.03 0.00 0.00 175.02 172.84 2dax s ALA 73 N -4.06 0.83 -0.15 3.16 0.00 -0.94 -4.90 121.76 115.70 2dax s ALA 73 Ca 0.27 -1.50 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 2dax s ALA 73 Cb 0.04 1.29 -0.05 0.00 0.00 0.00 0.00 23.12 24.40 2dax s ALA 73 CO 0.07 -0.64 0.19 1.41 0.00 0.00 0.00 175.76 176.79 2dax s MET 74 N -4.12 3.92 -0.28 0.00 1.75 -1.26 -2.97 119.30 116.35 2dax s MET 74 Ca 0.34 -0.06 -0.02 0.00 -1.25 0.00 0.00 55.69 54.70 2dax s MET 74 Cb 0.05 -3.32 0.04 0.00 2.84 0.00 0.00 34.83 34.44 2dax s MET 74 CO 0.11 0.49 -0.03 -0.06 -0.65 0.00 0.00 175.02 174.88 2dax s PHE 75 N -0.22 3.17 -0.39 4.11 0.40 -1.12 -4.74 117.98 119.18 2dax s PHE 75 Ca 0.14 -1.70 -0.21 0.00 -0.60 0.00 0.00 56.93 54.56 2dax s PHE 75 Cb -0.12 -2.09 0.01 0.00 0.51 0.00 0.00 43.02 41.33 2dax s PHE 75 CO 0.03 -0.76 0.66 -1.12 0.70 0.00 0.00 175.22 174.72 2dax s SER 76 N 1.29 6.40 -0.61 1.36 0.01 -1.06 -2.50 113.70 118.59 2dax s SER 76 Ca -0.03 0.01 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 2dax s SER 76 Cb -0.18 -2.33 0.16 0.00 0.21 0.00 0.00 66.02 63.87 2dax s SER 76 CO -0.03 -0.68 0.52 -0.76 0.41 0.00 0.00 173.24 172.71 2dax s LEU 77 N 2.81 6.10 -0.83 2.44 1.02 -0.60 -1.99 118.68 127.62 2dax s LEU 77 Ca 0.25 -2.22 -0.25 0.00 0.02 0.00 0.00 54.13 51.93 2dax s LEU 77 Cb -0.14 -2.11 -0.02 0.00 0.02 0.00 0.00 46.19 43.94 2dax s LEU 77 CO 0.17 -0.67 1.80 0.00 0.02 0.00 0.00 176.35 177.67 2dax s ALA 78 N 0.91 2.03 -0.03 4.21 0.00 0.39 -1.85 121.76 127.42 2dax s ALA 78 Ca 0.10 -1.40 -0.15 0.00 0.00 0.00 0.00 51.96 50.51 2dax s ALA 78 Cb -0.22 -4.47 -0.05 0.00 0.00 0.00 0.00 23.12 18.38 2dax s ALA 78 CO -0.02 -4.29 0.40 0.00 0.00 0.00 0.00 175.76 171.85 2dax s ILE 80 N -0.69 -0.03 -0.37 0.00 1.01 -1.21 -2.14 121.20 117.77 2dax s ILE 80 Ca 0.23 0.32 -0.20 0.00 0.00 0.00 0.00 60.65 61.00 2dax s ILE 80 Cb -0.16 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.14 2dax s ILE 80 CO 0.12 0.16 0.64 -0.76 0.00 0.00 0.00 174.94 175.10 2dax s LEU 81 N 1.78 4.29 1.21 2.97 1.43 -1.10 -1.73 118.68 127.53 2dax s LEU 81 Ca 0.00 0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 52.97 2dax s LEU 81 Cb -0.12 -2.78 0.29 0.00 0.03 0.00 0.00 46.19 43.61 2dax s LEU 81 CO -0.03 -0.63 1.11 -2.16 0.23 0.00 0.00 176.35 174.87 2dax s PRO 82 N 2.73 -1.32 -0.21 1.29 0.04 -1.26 -3.64 135.00 132.63 2dax s PRO 82 Ca 0.24 -0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.22 2dax s PRO 82 Cb -0.14 -1.59 0.39 0.00 0.04 0.00 0.00 34.50 33.20 2dax s PRO 82 CO 0.16 -3.77 1.40 1.19 0.04 0.00 0.00 177.00 176.02 2dax n PHE 83 N -4.79 1.51 0.00 0.56 3.72 -1.26 -3.96 117.46 113.24 2dax n PHE 83 Ca 0.14 -0.98 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 2dax n PHE 83 Cb 0.60 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.17 0.00 -0.92 -1.08 5.02 -1.26 -5.06 118.16 114.69 2dax n LYS 84 Ca 0.27 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.25 2dax n LYS 84 Cb 1.03 -0.74 -0.02 0.00 -0.02 0.00 0.00 35.03 35.28 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 -2.28 -0.44 0.52 2.13 9.36 -1.24 -0.47 117.16 124.73 2dax n TYR 85 Ca 0.00 0.62 0.07 0.00 3.32 0.00 0.00 57.90 61.90 2dax n TYR 85 Cb 0.33 -1.28 0.31 0.00 -0.63 0.00 0.00 39.34 38.07 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 0.69 0.03 0.00 2.98 -0.04 -1.26 -4.76 135.00 132.64 2dax n PRO 86 Ca 0.11 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2dax n PRO 86 Cb 0.18 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.47 0.00 -3.09 0.55 0.00 0.38 -4.14 120.51 112.74 2dax n ALA 87 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 2dax n ALA 87 Cb 0.16 0.27 -0.14 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.84 3.33 0.91 0.00 -7.23 -1.26 -4.69 120.40 108.61 2dax s VAL 88 Ca 0.00 -0.56 -0.16 0.00 -1.81 0.00 0.00 61.98 59.45 2dax s VAL 88 Cb 0.00 -2.43 -0.11 0.00 0.56 0.00 0.00 36.38 34.40 2dax s VAL 88 CO 0.00 0.50 -0.42 0.18 -0.31 0.00 0.00 175.10 175.06 2dax n LEU 89 N 3.66 -4.26 0.00 1.32 4.32 -1.26 -3.72 117.00 117.07 2dax n LEU 89 Ca -0.18 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 2dax n LEU 89 Cb 0.52 -0.88 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 2dax n LEU 89 CO 0.31 -5.27 0.00 -0.81 -1.22 0.00 0.00 177.39 170.40 2dax n PRO 90 N 1.42 -0.37 -3.40 3.23 -0.04 -1.26 -4.81 135.00 129.76 2dax n PRO 90 Ca 0.02 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.22 2dax n PRO 90 Cb 0.54 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.03 1.21 -2.79 0.54 -0.58 -0.71 -4.97 120.64 112.32 2dax n GLU 91 Ca 0.00 -3.77 -0.41 0.00 -0.42 0.00 0.00 57.16 52.57 2dax n GLU 91 Cb 0.00 -1.74 -0.05 0.00 -0.57 0.00 0.00 31.44 29.08 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 -1.26 4.43 -0.21 -3.67 1.01 -1.25 -3.34 121.20 116.92 2dax s ILE 92 Ca 0.34 1.99 0.01 0.00 0.00 0.00 0.00 60.65 62.99 2dax s ILE 92 Cb 0.10 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 38.34 2dax s ILE 92 CO -0.12 0.38 -0.09 -0.89 0.00 0.00 0.00 174.94 174.22 2dax s THR 93 N -0.34 1.62 -0.27 2.92 2.01 0.24 -4.90 115.64 116.92 2dax s THR 93 Ca 0.44 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 61.18 2dax s THR 93 Cb -0.23 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 2dax s THR 93 CO 0.29 0.10 0.57 -0.69 -0.69 0.00 0.00 174.62 174.21 2dax s VAL 94 N 1.39 5.02 0.02 3.82 1.01 -1.26 -0.46 120.40 129.94 2dax s VAL 94 Ca -0.02 0.95 0.04 0.00 0.00 0.00 0.00 61.98 62.95 2dax s VAL 94 Cb -0.17 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2dax s VAL 94 CO -0.08 0.02 -0.13 -0.13 0.00 0.00 0.00 175.10 174.79 2dax s ARG 95 N 2.43 0.92 -0.25 2.72 1.81 -0.84 -4.91 118.95 120.83 2dax s ARG 95 Ca 0.24 -0.61 -0.25 0.00 -1.72 0.00 0.00 55.73 53.39 2dax s ARG 95 Cb -0.15 -0.90 0.07 0.00 -0.45 0.00 0.00 34.95 33.51 2dax s ARG 95 CO 0.09 0.23 0.70 0.45 -0.68 0.00 0.00 175.30 176.10 2dax s SER 96 N -0.79 -0.72 0.52 0.23 0.15 -1.26 -2.55 113.70 109.27 2dax s SER 96 Ca 0.02 1.37 0.18 0.00 0.70 0.00 0.00 55.95 58.23 2dax s SER 96 Cb -0.06 1.38 1.29 0.00 -1.71 0.00 0.00 66.02 66.91 2dax s SER 96 CO 0.00 -0.26 2.10 1.62 1.20 0.00 0.00 173.24 177.90 2dax h VAL 97 N 3.98 0.92 0.29 4.45 3.04 -2.01 -2.71 116.25 124.20 2dax h VAL 97 Ca -0.29 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.38 2dax h VAL 97 Cb 1.16 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 2dax h VAL 97 CO 0.08 0.01 -0.14 -0.07 -1.01 0.00 0.00 177.57 176.44 2dax h LEU 98 N 0.03 -0.33-10.09 3.16 3.38 -1.95 -3.44 115.31 106.07 2dax h LEU 98 Ca 0.09 -0.21 -0.50 0.00 0.09 0.00 0.00 57.88 57.35 2dax h LEU 98 Cb 0.32 0.08 0.07 0.00 0.09 0.00 0.00 40.66 41.23 2dax h LEU 98 CO -0.00 0.11 0.43 -0.76 0.09 0.00 0.00 178.44 178.30 2dax s LEU 99 N -9.29 3.74 0.26 1.67 1.43 -1.02 -4.96 118.68 110.50 2dax s LEU 99 Ca -0.13 2.15 0.07 0.00 -1.03 0.00 0.00 54.13 55.18 2dax s LEU 99 Cb 0.01 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 2dax s LEU 99 CO 0.48 -1.20 0.25 -0.44 0.23 0.00 0.00 176.35 175.67 2dax s SER 100 N -1.83 5.64 0.47 2.29 0.01 -1.26 -4.64 113.70 114.38 2dax s SER 100 Ca 0.72 -0.23 0.27 0.00 1.31 0.00 0.00 55.95 58.02 2dax s SER 100 Cb -0.23 -1.42 1.32 0.00 0.21 0.00 0.00 66.02 65.90 2dax s SER 100 CO 0.27 -0.10 1.81 -0.09 0.41 0.00 0.00 173.24 175.54 2dax h ARG 101 N 1.39 0.19 0.07 12.44 2.43 -1.96 0.53 114.38 129.45 2dax h ARG 101 Ca -0.48 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2dax h ARG 101 Cb 1.24 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2dax h ARG 101 CO 0.60 0.12 -0.03 1.03 -1.51 0.00 0.00 179.97 180.18 2dax h SER 102 N 0.19 -0.08 0.15 -3.80 0.87 -2.00 -2.52 113.55 106.37 2dax h SER 102 Ca 0.55 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.11 2dax h SER 102 Cb 1.77 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.74 2dax h SER 102 CO -0.14 -0.04 -0.12 0.06 -0.53 0.00 0.00 176.83 176.06 2dax h GLN 103 N -0.12 -0.27 -0.91 2.24 -0.00 -1.86 -2.61 115.11 111.58 2dax h GLN 103 Ca -0.01 0.02 0.25 0.00 -0.00 0.00 0.00 58.65 58.91 2dax h GLN 103 Cb 0.07 0.06 -0.16 0.00 -0.00 0.00 0.00 27.48 27.45 2dax h GLN 103 CO 0.01 -0.18 0.17 0.37 -0.00 0.00 0.00 178.83 179.21 2dax h GLN 104 N -0.28 0.12 -0.46 0.06 5.75 -0.09 0.38 115.11 120.59 2dax h GLN 104 Ca -0.01 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2dax h GLN 104 Cb 0.25 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 2dax h GLN 104 CO -0.01 0.08 0.25 1.15 -2.65 0.00 0.00 178.83 177.65 2dax h THR 105 N 0.12 1.01 -0.56 2.39 2.02 -1.06 -1.27 112.91 115.55 2dax h THR 105 Ca 0.57 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.57 2dax h THR 105 Cb 1.19 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 2dax h THR 105 CO -0.74 0.09 0.31 -0.61 0.37 0.00 0.00 175.52 174.94 2dax h GLN 106 N 0.50 0.78 0.28 6.66 5.75 -0.18 -2.36 115.11 126.54 2dax h GLN 106 Ca 0.19 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2dax h GLN 106 Cb 0.06 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 2dax h GLN 106 CO -0.11 0.60 -0.18 1.25 -2.65 0.00 0.00 178.83 177.74 2dax h LEU 107 N 0.76 -0.46 0.06 -2.39 6.46 -0.74 -2.77 115.31 116.22 2dax h LEU 107 Ca 0.20 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 2dax h LEU 107 Cb 0.05 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.07 2dax h LEU 107 CO -0.03 -0.29 -0.52 0.78 -0.62 0.00 0.00 178.44 177.76 2dax h ASN 108 N -0.45 -1.58 -1.30 1.25 2.35 -1.13 0.85 115.58 115.56 2dax h ASN 108 Ca -0.02 0.17 0.41 0.00 -0.55 0.00 0.00 56.30 56.30 2dax h ASN 108 Cb 0.38 0.59 -0.11 0.00 0.05 0.00 0.00 38.32 39.23 2dax h ASN 108 CO 0.02 -0.54 0.85 0.74 -1.65 0.00 0.00 177.43 176.85 2dax h THR 109 N -0.71 0.21 0.00 2.81 2.02 -1.37 0.19 112.91 116.07 2dax h THR 109 Ca 0.01 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 2dax h THR 109 Cb 0.74 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2dax h THR 109 CO -0.32 0.02 -0.00 0.44 0.37 0.00 0.00 175.52 176.03 2dax h ASP 110 N 0.13 -0.00 -0.78 4.18 5.19 -0.77 -2.85 116.42 121.52 2dax h ASP 110 Ca 0.77 -0.81 0.18 0.00 -0.62 0.00 0.00 57.03 56.55 2dax h ASP 110 Cb 2.42 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 41.80 2dax h ASP 110 CO -0.35 0.82 0.02 0.25 -3.12 0.00 0.00 179.24 176.85 2dax h LEU 111 N -0.83 -0.34 -0.25 1.55 5.85 0.16 0.95 115.31 122.40 2dax h LEU 111 Ca -0.00 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 2dax h LEU 111 Cb 0.82 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2dax h LEU 111 CO 0.00 -0.19 0.00 0.74 -0.34 0.00 0.00 178.44 178.65 2dax h THR 112 N 0.10 1.26 -0.31 1.05 2.02 -1.44 -3.16 112.91 112.43 2dax h THR 112 Ca 0.43 -0.90 0.06 0.00 0.77 0.00 0.00 66.41 66.77 2dax h THR 112 Cb 0.78 1.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.48 2dax h THR 112 CO -0.68 0.29 -0.05 0.00 0.37 0.00 0.00 175.52 175.44 2dax h ALA 113 N 0.81 0.22 -0.92 6.16 0.00 -0.72 -1.46 119.26 123.37 2dax h ALA 113 Ca 0.07 0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.24 2dax h ALA 113 Cb 0.41 0.21 -0.16 0.00 0.00 0.00 0.00 17.79 18.26 2dax h ALA 113 CO 0.01 -0.45 -0.36 0.35 0.00 0.00 0.00 179.25 178.81 2dax h PHE 114 N 0.03 -0.98 -0.16 0.00 3.57 -0.88 0.93 116.94 119.45 2dax h PHE 114 Ca 0.15 0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2dax h PHE 114 Cb 0.22 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2dax h PHE 114 CO -0.27 -0.40 0.00 -0.07 -2.23 0.00 0.00 178.31 175.34 2dax h LEU 115 N -0.03 0.27 -1.15 0.59 3.38 -1.50 -2.06 115.31 114.80 2dax h LEU 115 Ca 0.34 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2dax h LEU 115 Cb 0.60 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2dax h LEU 115 CO -0.93 0.50 0.72 1.56 0.09 0.00 0.00 178.44 180.38 2dax h GLN 116 N 0.02 0.00 0.00 1.13 4.20 0.21 0.24 115.11 120.92 2dax h GLN 116 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2dax h GLN 116 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2dax h GLN 116 CO 0.01 0.00 -0.42 1.17 -0.67 0.00 0.00 178.83 178.92 2dax n LYS 117 N -2.93 0.26 0.03 1.46 3.00 -0.71 -4.70 118.16 114.58 2dax n LYS 117 Ca 0.04 0.23 -0.02 0.00 -0.00 0.00 0.00 58.31 58.57 2dax n LYS 117 Cb 0.81 -1.10 -0.01 0.00 0.00 0.00 0.00 35.03 34.73 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 -0.53 -0.10 -1.99 5.64 3.86 -0.83 -3.41 115.15 117.80 2dax h HIS 118 Ca 0.00 -0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 2dax h HIS 118 Cb 0.42 0.03 -0.12 0.00 1.06 0.00 0.00 27.41 28.80 2dax h HIS 118 CO -0.18 -0.06 1.07 0.00 0.86 0.00 0.00 177.93 179.62 2dax s HIS 120 N 4.51 0.42 -0.72 0.00 5.04 -1.21 -3.65 115.29 119.68 2dax s HIS 120 Ca 0.36 -0.06 -0.02 0.00 -1.54 0.00 0.00 55.06 53.80 2dax s HIS 120 Cb -0.06 -0.45 0.00 0.00 0.04 0.00 0.00 32.58 32.11 2dax s HIS 120 CO 0.00 -0.13 0.31 0.41 -2.34 0.00 0.00 174.74 172.99 2dax n GLY 121 N 3.99 0.13 3.03 1.59 0.00 -1.26 -5.01 105.19 107.66 2dax n GLY 121 Ca -0.25 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.28 -1.59 -4.18 1.61 8.00 -1.26 -4.94 116.55 113.91 2dax n ASP 122 Ca -0.05 -2.46 -0.37 0.00 0.71 0.00 0.00 54.79 52.62 2dax n ASP 122 Cb 0.55 2.75 -0.12 0.00 -0.02 0.00 0.00 41.12 44.29 2dax n ASP 122 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2dax s VAL 123 N -2.48 3.51 -0.27 2.53 -7.23 -1.26 -4.63 120.40 110.57 2dax s VAL 123 Ca 0.18 -1.65 -0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2dax s VAL 123 Cb -0.03 -3.21 0.15 0.00 0.56 0.00 0.00 36.38 33.86 2dax s VAL 123 CO 0.13 -0.47 0.42 0.00 -0.31 0.00 0.00 175.10 174.88 2dax n ILE 125 N 5.37 1.49 -0.32 0.00 2.08 -1.26 -4.40 119.36 122.32 2dax n ILE 125 Ca -0.01 0.02 0.15 0.00 0.56 0.00 0.00 62.75 63.47 2dax n ILE 125 Cb 0.50 -2.18 0.32 0.00 -0.75 0.00 0.00 39.64 37.52 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 -0.17 -1.08 1.39 3.38 -1.98 0.40 115.31 116.24 2dax h LEU 126 Ca -0.24 0.24 0.42 0.00 0.09 0.00 0.00 57.88 58.39 2dax h LEU 126 Cb 1.05 0.36 -0.16 0.00 0.09 0.00 0.00 40.66 42.00 2dax h LEU 126 CO -0.15 -0.27 0.63 0.59 0.09 0.00 0.00 178.44 179.33 2dax n ASN 127 N -5.34 0.30 -0.07 -0.43 3.02 -1.26 0.14 115.26 111.62 2dax n ASN 127 Ca 0.24 1.53 -0.13 0.00 -0.03 0.00 0.00 54.58 56.18 2dax n ASN 127 Cb 0.77 -0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.82 0.29 -0.63 5.41 0.00 -0.45 -2.70 119.26 123.00 2dax h ALA 128 Ca 0.83 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 55.39 2dax h ALA 128 Cb 2.36 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 20.06 2dax h ALA 128 CO -0.65 0.25 0.41 1.79 0.00 0.00 0.00 179.25 181.05 2dax h THR 129 N 0.16 1.13 0.00 0.00 1.35 0.12 0.27 112.91 115.94 2dax h THR 129 Ca 0.02 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2dax h THR 129 Cb 0.80 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2dax h THR 129 CO 0.06 0.15 0.00 -0.33 -0.25 0.00 0.00 175.52 175.14 2dax h GLU 130 N 0.80 0.00 0.00 4.72 5.08 -1.09 -2.58 114.58 121.51 2dax h GLU 130 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2dax h GLU 130 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2dax h GLU 130 CO -0.06 0.00 -1.29 1.87 -1.00 0.00 0.00 179.01 178.53 2dax n TRP 131 N -2.66 0.47 -0.07 4.33 -0.00 -0.10 -4.22 117.44 115.19 2dax n TRP 131 Ca 0.03 0.14 -0.07 0.00 -0.00 0.00 0.00 57.50 57.60 2dax n TRP 131 Cb 0.39 -0.66 -0.04 0.00 -0.00 0.00 0.00 31.31 31.00 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 0.32 -1.63 5.87 2.07 -0.89 -2.88 116.25 119.10 2dax h VAL 132 Ca 0.00 -1.32 0.47 0.00 0.82 0.00 0.00 66.70 66.67 2dax h VAL 132 Cb 0.91 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 2dax h VAL 132 CO 0.00 0.11 1.19 0.08 0.02 0.00 0.00 177.57 178.97 2dax h ARG 133 N -1.00 0.00 0.00 1.57 0.11 -1.68 0.75 114.38 114.13 2dax h ARG 133 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2dax h ARG 133 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2dax h ARG 133 CO -0.04 0.00 -0.06 1.49 0.10 0.00 0.00 179.97 181.46 2dax h GLU 134 N 0.00 0.00 -0.24 0.08 4.81 -1.73 -3.37 114.58 114.13 2dax h GLU 134 Ca 0.78 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 60.07 2dax h GLU 134 Cb 3.16 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 32.47 2dax h GLU 134 CO -0.01 0.00 -0.24 0.45 -0.73 0.00 0.00 179.01 178.48 2dax h HIS 135 N -0.22 -0.63 -0.02 0.92 3.86 -1.17 -2.99 115.15 114.90 2dax h HIS 135 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2dax h HIS 135 Cb 0.06 0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 2dax h HIS 135 CO -0.03 -0.32 -0.01 0.00 0.86 0.00 0.00 177.93 178.44 2dax n ALA 136 N -2.80 -0.01 -0.27 2.45 0.00 0.26 0.13 120.51 120.28 2dax n ALA 136 Ca -0.01 0.01 0.19 0.00 0.00 0.00 0.00 53.44 53.64 2dax n ALA 136 Cb 0.29 0.33 0.36 0.00 0.00 0.00 0.00 19.45 20.43 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 -2.73 0.11 -0.02 0.00 3.41 -1.13 0.13 113.62 113.39 2dax n SER 137 Ca 0.00 1.34 -0.10 0.00 -0.26 0.00 0.00 58.87 59.85 2dax n SER 137 Cb 0.00 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.33 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 0.19 0.86 5.00 0.00 0.11 -3.13 103.07 106.09 2dax h GLY 138 Ca 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 2dax h GLY 138 CO -0.68 0.06 -0.10 -0.97 0.00 0.00 0.00 176.54 174.84 2dax h TYR 139 N 0.17 -0.27 -0.19 5.60 0.05 0.15 -3.42 116.97 119.06 2dax h TYR 139 Ca 0.05 -0.01 -0.58 0.00 0.05 0.00 0.00 58.73 58.24 2dax h TYR 139 Cb -0.01 0.09 -0.06 0.00 1.01 0.00 0.00 36.73 37.76 2dax h TYR 139 CO -0.08 -0.06 1.61 0.28 -1.05 0.00 0.00 178.16 178.86 2dax n VAL 140 N -5.15 0.01 -4.37 -2.88 0.31 -0.51 -4.89 118.33 100.85 2dax n VAL 140 Ca -0.09 -0.08 -0.21 0.00 -0.01 0.00 0.00 64.34 63.95 2dax n VAL 140 Cb 0.19 -0.75 -0.13 0.00 -0.91 0.00 0.00 33.84 32.24 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 8.29 1.79 0.00 4.52 0.01 -1.26 -4.96 113.70 122.09 2dax s SER 141 Ca 1.27 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 58.06 2dax s SER 141 Cb -1.22 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 64.89 2dax s SER 141 CO 0.52 0.04 -0.05 -0.60 0.41 0.00 0.00 173.24 173.56 2dax s ARG 142 N -1.22 0.36 -0.30 12.44 3.52 -1.26 -5.01 118.95 127.48 2dax s ARG 142 Ca 0.02 -0.23 -0.11 0.00 -0.13 0.00 0.00 55.73 55.28 2dax s ARG 142 Cb -0.08 -0.32 0.16 0.00 -1.56 0.00 0.00 34.95 33.15 2dax s ARG 142 CO 0.01 0.08 0.84 0.16 -0.81 0.00 0.00 175.30 175.59 2dax s ASP 143 N -0.30 -0.85 -1.00 -2.12 1.47 -1.26 -5.10 116.67 107.51 2dax s ASP 143 Ca -0.00 0.94 -0.22 0.00 1.18 0.00 0.00 52.55 54.45 2dax s ASP 143 Cb -0.03 1.88 0.07 0.00 -0.34 0.00 0.00 42.92 44.50 2dax s ASP 143 CO -0.00 -0.16 1.37 0.42 0.68 0.00 0.00 175.17 177.48 2dax s THR 144 N 2.71 4.14 -0.72 2.11 -4.23 -1.26 -4.90 115.64 113.49 2dax s THR 144 Ca 0.01 -0.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.56 2dax s THR 144 Cb -0.10 -4.99 0.17 0.00 1.34 0.00 0.00 72.50 68.93 2dax s THR 144 CO -0.18 -1.83 0.52 -0.55 -0.54 0.00 0.00 174.62 172.04 2dax s SER 145 N 4.61 4.98 -0.16 3.99 0.15 -1.26 -5.04 113.70 120.98 2dax s SER 145 Ca 0.43 -3.73 -0.30 0.00 0.70 0.00 0.00 55.95 53.04 2dax s SER 145 Cb -0.01 -1.69 0.13 0.00 -1.71 0.00 0.00 66.02 62.74 2dax s SER 145 CO -0.10 -0.12 0.99 -0.94 1.20 0.00 0.00 173.24 174.27 2dax s SER 146 N -1.08 -0.37 -0.08 5.45 1.04 -1.26 -5.18 113.70 112.22 2dax s SER 146 Ca 0.24 0.40 -0.07 0.00 0.48 0.00 0.00 55.95 57.00 2dax s SER 146 Cb -0.07 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.37 2dax s SER 146 CO -0.14 -0.35 0.21 -0.55 0.98 0.00 0.00 173.24 173.39 2dax s SER 147 N -1.14 -0.22 -0.76 7.02 0.15 -1.26 -4.97 113.70 112.52 2dax s SER 147 Ca -0.02 0.42 -0.00 0.00 0.70 0.00 0.00 55.95 57.05 2dax s SER 147 Cb -0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2dax s SER 147 CO 0.02 -0.08 0.67 0.61 1.20 0.00 0.00 173.24 175.66 2dax n GLY 148 N 2.94 -1.26 0.27 9.45 0.00 -1.26 -4.92 105.19 110.41 2dax n GLY 148 Ca -0.13 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 2dax n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dax h PRO 149 N 0.24 0.94 -3.47 1.61 0.13 -2.05 -3.47 132.00 125.94 2dax h PRO 149 Ca -0.20 -0.49 -0.05 0.00 -0.87 0.00 0.00 66.00 64.39 2dax h PRO 149 Cb 1.13 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.15 2dax h PRO 149 CO 0.32 1.15 -0.11 -1.12 -0.23 0.00 0.00 178.00 178.01 2dax s SER 150 N -6.82 -0.17 0.32 1.44 0.01 -1.26 -5.18 113.70 102.04 2dax s SER 150 Ca -0.11 -0.45 -0.18 0.00 1.31 0.00 0.00 55.95 56.51 2dax s SER 150 Cb 0.11 0.48 0.05 0.00 0.21 0.00 0.00 66.02 66.88 2dax s SER 150 CO 0.88 -0.89 0.83 -0.55 0.41 0.00 0.00 173.24 173.92 2dax s SER 151 N -2.85 -0.04 0.00 2.44 0.15 -1.26 -5.24 113.70 106.91 2dax s SER 151 Ca 0.06 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2dax s SER 151 Cb 0.02 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 2dax s SER 151 CO -0.08 -1.48 0.00 0.61 1.20 0.00 0.00 173.24 173.49