#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dax n SER 2 N 0.00 2.02 -4.24 1.61 2.88 -1.26 -4.96 113.62 109.68 2dax n SER 2 Ca 0.00 0.87 -0.30 0.00 -1.33 0.00 0.00 58.87 58.11 2dax n SER 2 Cb 0.00 -1.53 0.21 0.00 -0.75 0.00 0.00 64.21 62.14 2dax n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dax n SER 3 N -1.38 -2.37 -3.41 -3.46 7.64 -1.26 -5.01 113.62 104.37 2dax n SER 3 Ca 0.14 -0.21 -0.27 0.00 1.01 0.00 0.00 58.87 59.53 2dax n SER 3 Cb 0.47 -1.02 -0.10 0.00 -1.01 0.00 0.00 64.21 62.54 2dax n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dax s GLY 4 N -2.06 1.20 -0.57 0.23 0.00 -1.26 -5.08 107.32 99.78 2dax s GLY 4 Ca 0.59 -2.42 -0.26 0.00 0.00 0.00 0.00 44.72 42.63 2dax s GLY 4 CO 0.64 2.10 2.43 -1.26 0.00 0.00 0.00 173.10 177.00 2dax n SER 5 N 2.95 2.12 -4.44 1.64 2.88 -1.26 -4.86 113.62 112.65 2dax n SER 5 Ca 0.28 -0.70 -0.44 0.00 -1.33 0.00 0.00 58.87 56.67 2dax n SER 5 Cb 0.47 -1.58 -0.00 0.00 -0.75 0.00 0.00 64.21 62.34 2dax n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dax s SER 6 N 11.82 7.05 -0.40 -3.46 1.04 -1.26 -4.80 113.70 123.69 2dax s SER 6 Ca 0.98 -2.96 0.05 0.00 0.48 0.00 0.00 55.95 54.50 2dax s SER 6 Cb -0.20 -2.37 0.44 0.00 0.10 0.00 0.00 66.02 64.00 2dax s SER 6 CO 0.23 -0.71 1.31 0.61 0.98 0.00 0.00 173.24 175.66 2dax n GLY 7 N 4.07 6.21 0.18 7.32 0.00 -1.26 -4.81 105.19 116.89 2dax n GLY 7 Ca 0.33 -2.65 -0.07 0.00 0.00 0.00 0.00 46.02 43.64 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 2.30 -0.41 -0.99 1.61 5.08 -2.01 -3.21 114.58 116.95 2dax h GLU 8 Ca 0.39 0.03 0.28 0.00 -1.00 0.00 0.00 59.36 59.05 2dax h GLU 8 Cb 1.23 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 30.39 2dax h GLU 8 CO 0.91 -0.27 0.04 0.37 -1.00 0.00 0.00 179.01 179.06 2dax h GLN 9 N -0.77 0.01 -0.85 2.33 4.15 -1.94 0.94 115.11 118.97 2dax h GLN 9 Ca -0.04 -0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.53 2dax h GLN 9 Cb 0.33 -0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.92 2dax h GLN 9 CO 0.07 0.01 0.42 0.00 -1.93 0.00 0.00 178.83 177.40 2dax h ALA 10 N 1.99 1.28 0.00 3.38 0.00 -1.90 -1.77 119.26 122.24 2dax h ALA 10 Ca 0.61 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.61 2dax h ALA 10 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2dax h ALA 10 CO -0.92 -0.13 -0.00 0.93 0.00 0.00 0.00 179.25 179.13 2dax h GLU 11 N 0.58 -0.00 -0.78 0.00 5.08 0.90 -2.97 114.58 117.39 2dax h GLU 11 Ca 0.47 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.90 2dax h GLU 11 Cb 0.70 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 2dax h GLU 11 CO -0.38 0.20 -0.46 0.00 -1.00 0.00 0.00 179.01 177.36 2dax n ALA 12 N -2.20 -0.50 -0.03 3.43 0.00 -0.68 -0.00 120.51 120.54 2dax n ALA 12 Ca -0.08 0.66 -0.10 0.00 0.00 0.00 0.00 53.44 53.93 2dax n ALA 12 Cb 0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.33 0.08 0.00 4.20 -1.55 -2.29 115.11 115.22 2dax h GLN 13 Ca 0.13 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2dax h GLN 13 Cb 0.32 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2dax h GLN 13 CO -0.73 -0.22 -0.19 1.25 -0.67 0.00 0.00 178.83 178.26 2dax h LEU 14 N -0.35 -0.56 -0.79 1.46 5.85 -0.87 -2.11 115.31 117.95 2dax h LEU 14 Ca 0.11 0.06 0.22 0.00 0.84 0.00 0.00 57.88 59.10 2dax h LEU 14 Cb 0.53 0.20 -0.15 0.00 0.37 0.00 0.00 40.66 41.61 2dax h LEU 14 CO -0.39 -0.21 0.01 0.00 -0.34 0.00 0.00 178.44 177.51 2dax n ALA 15 N -2.58 0.40 0.11 1.25 0.00 1.00 0.10 120.51 120.79 2dax n ALA 15 Ca -0.03 0.84 -0.13 0.00 0.00 0.00 0.00 53.44 54.12 2dax n ALA 15 Cb 0.15 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.27 -0.47 0.00 4.22 -0.81 -2.65 114.58 114.60 2dax h GLU 16 Ca 0.47 0.02 0.09 0.00 0.08 0.00 0.00 59.36 60.02 2dax h GLU 16 Cb 0.98 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.19 2dax h GLU 16 CO -0.74 -0.18 -0.30 -0.07 -2.18 0.00 0.00 179.01 175.54 2dax h LEU 17 N -0.28 -1.01 -0.58 1.64 3.38 0.13 -0.49 115.31 118.09 2dax h LEU 17 Ca 0.00 0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.29 2dax h LEU 17 Cb 0.27 0.50 -0.10 0.00 0.09 0.00 0.00 40.66 41.42 2dax h LEU 17 CO -0.04 -0.30 -0.01 -0.78 0.09 0.00 0.00 178.44 177.40 2dax h ASP 18 N -0.19 -0.28 -0.13 -0.43 3.58 -1.24 -1.61 116.42 116.12 2dax h ASP 18 Ca 0.20 0.15 0.05 0.00 0.42 0.00 0.00 57.03 57.84 2dax h ASP 18 Cb 0.52 0.26 -0.06 0.00 1.72 0.00 0.00 39.33 41.77 2dax h ASP 18 CO -0.58 -0.11 -0.32 0.25 -2.88 0.00 0.00 179.24 175.60 2dax h LEU 19 N 0.10 -1.00 0.16 2.28 6.46 -0.75 -2.49 115.31 120.08 2dax h LEU 19 Ca 0.30 0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 58.20 2dax h LEU 19 Cb 0.47 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2dax h LEU 19 CO -0.50 -0.36 -0.23 -0.07 -0.62 0.00 0.00 178.44 176.66 2dax h LEU 20 N -0.40 -0.66 -1.00 2.25 3.38 -0.76 0.09 115.31 118.21 2dax h LEU 20 Ca 0.10 0.06 0.36 0.00 0.09 0.00 0.00 57.88 58.48 2dax h LEU 20 Cb 0.55 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 2dax h LEU 20 CO -0.35 -0.28 0.63 0.00 0.09 0.00 0.00 178.44 178.52 2dax n ALA 21 N -2.56 1.00 0.07 1.53 0.00 -0.69 0.24 120.51 120.10 2dax n ALA 21 Ca -0.05 0.70 -0.21 0.00 0.00 0.00 0.00 53.44 53.88 2dax n ALA 21 Cb 0.20 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 2dax n ALA 21 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2dax h SER 22 N 0.00 0.67 -0.63 0.00 0.02 -0.85 -3.31 113.55 109.45 2dax h SER 22 Ca 0.68 -0.87 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 2dax h SER 22 Cb 2.10 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 64.40 2dax h SER 22 CO -0.41 1.49 0.25 0.24 -1.14 0.00 0.00 176.83 177.26 2dax h MET 23 N -0.04 0.94 -3.38 3.45 2.07 0.50 -3.33 114.93 115.14 2dax h MET 23 Ca -0.16 -0.17 -0.71 0.00 -2.07 0.00 0.00 59.70 56.58 2dax h MET 23 Cb 1.76 -0.15 -0.35 0.00 -1.87 0.00 0.00 31.60 30.99 2dax h MET 23 CO 0.19 0.79 -0.11 -0.06 1.07 0.00 0.00 176.91 178.80 2dax s PHE 24 N -5.55 3.83 0.05 -0.22 0.40 0.77 -4.90 117.98 112.36 2dax s PHE 24 Ca -0.13 -2.94 -0.20 0.00 -0.60 0.00 0.00 56.93 53.07 2dax s PHE 24 Cb 0.13 -3.28 -0.14 0.00 0.51 0.00 0.00 43.02 40.25 2dax s PHE 24 CO 0.80 -0.77 1.35 -1.00 0.70 0.00 0.00 175.22 176.31 2dax h PRO 25 N 6.25 0.40 -5.92 0.24 0.13 -1.68 -3.41 132.00 128.01 2dax h PRO 25 Ca 0.13 -0.21 -0.69 0.00 -0.87 0.00 0.00 66.00 64.36 2dax h PRO 25 Cb 0.84 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 2dax h PRO 25 CO 0.84 0.77 1.41 0.41 -0.23 0.00 0.00 178.00 181.19 2dax n GLY 26 N 0.19 0.16 0.62 1.56 0.00 -1.26 -4.72 105.19 101.74 2dax n GLY 26 Ca -0.06 1.02 0.41 0.00 0.00 0.00 0.00 46.02 47.39 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 11.19 0.00 0.15 1.61 4.11 -1.85 1.06 114.58 130.85 2dax h GLU 27 Ca -0.19 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.95 2dax h GLU 27 Cb 1.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.62 2dax h GLU 27 CO 1.08 0.00 -1.44 -0.91 0.07 0.00 0.00 179.01 177.80 2dax h ASN 28 N 0.00 0.50 -1.00 3.06 2.35 -1.94 -3.35 115.58 115.21 2dax h ASN 28 Ca 0.70 -0.90 0.32 0.00 -0.55 0.00 0.00 56.30 55.87 2dax h ASN 28 Cb 3.21 -0.16 -0.15 0.00 0.05 0.00 0.00 38.32 41.27 2dax h ASN 28 CO -0.01 1.65 0.56 -0.33 -1.65 0.00 0.00 177.43 177.66 2dax h GLU 29 N -0.15 0.32 -3.43 0.81 4.39 0.97 -3.32 114.58 114.17 2dax h GLU 29 Ca -0.29 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.22 2dax h GLU 29 Cb 1.88 -0.07 -0.23 0.00 -0.10 0.00 0.00 28.75 30.23 2dax h GLU 29 CO 0.13 0.21 -0.51 -1.17 -1.16 0.00 0.00 179.01 176.51 2dax s LEU 30 N -10.43 1.47 -0.09 1.33 0.20 -1.09 0.58 118.68 110.65 2dax s LEU 30 Ca -0.10 0.05 -0.03 0.00 0.69 0.00 0.00 54.13 54.74 2dax s LEU 30 Cb 0.30 0.62 0.05 0.00 -0.43 0.00 0.00 46.19 46.72 2dax s LEU 30 CO 0.79 -0.22 0.13 -0.63 -0.29 0.00 0.00 176.35 176.13 2dax s ILE 31 N -0.68 -0.21 -0.65 6.68 1.09 0.18 -4.65 121.20 122.95 2dax s ILE 31 Ca -0.08 0.29 -0.16 0.00 -1.10 0.00 0.00 60.65 59.60 2dax s ILE 31 Cb -0.05 -0.32 0.16 0.00 -1.06 0.00 0.00 42.46 41.19 2dax s ILE 31 CO 0.01 0.09 0.64 -0.69 -0.10 0.00 0.00 174.94 174.88 2dax s VAL 32 N 2.25 5.27 0.02 2.92 1.01 -1.26 -1.22 120.40 129.38 2dax s VAL 32 Ca 0.04 -1.75 -0.26 0.00 0.00 0.00 0.00 61.98 60.01 2dax s VAL 32 Cb -0.13 -4.42 -0.17 0.00 0.00 0.00 0.00 36.38 31.67 2dax s VAL 32 CO -0.06 -0.98 1.28 0.78 0.00 0.00 0.00 175.10 176.12 2dax h ASN 33 N 8.57 -0.38 -1.01 3.32 2.35 -1.93 -3.38 115.58 123.13 2dax h ASN 33 Ca -0.15 -0.15 -0.42 0.00 -0.55 0.00 0.00 56.30 55.03 2dax h ASN 33 Cb 1.08 0.10 -0.06 0.00 0.05 0.00 0.00 38.32 39.48 2dax h ASN 33 CO 0.96 -0.03 1.04 -0.62 -1.65 0.00 0.00 177.43 177.12 2dax s ASP 34 N -5.02 5.62 -0.10 5.81 -1.08 -1.08 -4.76 116.67 116.05 2dax s ASP 34 Ca -0.14 -0.83 -0.21 0.00 -0.52 0.00 0.00 52.55 50.85 2dax s ASP 34 Cb 0.02 -2.56 -0.28 0.00 -1.46 0.00 0.00 42.92 38.65 2dax s ASP 34 CO 0.55 -2.29 0.68 1.56 0.52 0.00 0.00 175.17 176.19 2dax h GLN 35 N 11.06 0.20 -0.50 4.34 1.08 -1.89 -3.37 115.11 126.04 2dax h GLN 35 Ca 0.08 -0.34 0.10 0.00 -1.45 0.00 0.00 58.65 57.04 2dax h GLN 35 Cb 1.02 0.13 -0.10 0.00 -0.05 0.00 0.00 27.48 28.48 2dax h GLN 35 CO 1.28 1.16 -0.17 1.25 -0.95 0.00 0.00 178.83 181.40 2dax h LEU 36 N -0.51 -0.62 -0.97 1.46 7.12 -1.97 0.14 115.31 119.97 2dax h LEU 36 Ca -0.20 0.17 0.32 0.00 0.13 0.00 0.00 57.88 58.29 2dax h LEU 36 Cb 1.55 0.37 -0.17 0.00 -0.53 0.00 0.00 40.66 41.88 2dax h LEU 36 CO 0.06 -0.21 0.33 0.00 -0.13 0.00 0.00 178.44 178.49 2dax h ALA 37 N 1.37 1.65 0.37 1.25 0.00 -1.87 -0.03 119.26 122.00 2dax h ALA 37 Ca 0.24 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 2dax h ALA 37 Cb 0.43 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2dax h ALA 37 CO -0.55 -0.67 -0.18 0.28 0.00 0.00 0.00 179.25 178.13 2dax h VAL 38 N 0.11 0.33 -0.87 0.00 2.07 -1.16 -2.90 116.25 113.83 2dax h VAL 38 Ca 0.69 -0.70 0.20 0.00 0.82 0.00 0.00 66.70 67.72 2dax h VAL 38 Cb 1.61 0.53 -0.16 0.00 -1.52 0.00 0.00 31.29 31.75 2dax h VAL 38 CO -0.76 0.08 -0.06 0.00 0.02 0.00 0.00 177.57 176.85 2dax h ALA 39 N -0.79 0.84 -0.66 1.67 0.00 -0.54 0.43 119.26 120.21 2dax h ALA 39 Ca -0.05 0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2dax h ALA 39 Cb 0.50 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2dax h ALA 39 CO 0.08 -0.46 0.42 0.93 0.00 0.00 0.00 179.25 180.23 2dax h GLU 40 N 0.04 0.82 -0.92 0.00 4.39 -1.13 -1.21 114.58 116.58 2dax h GLU 40 Ca 0.47 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.16 2dax h GLU 40 Cb 0.86 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 2dax h GLU 40 CO -0.82 0.54 0.60 1.25 -1.16 0.00 0.00 179.01 179.42 2dax h LEU 41 N 0.85 1.00 0.54 1.33 5.85 0.02 -1.92 115.31 122.98 2dax h LEU 41 Ca 0.25 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2dax h LEU 41 Cb -0.04 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 40.77 2dax h LEU 41 CO -0.08 0.68 -0.26 0.11 -0.34 0.00 0.00 178.44 178.55 2dax h LYS 42 N 1.16 -0.70 -0.99 1.25 1.57 -0.65 -2.96 116.57 115.25 2dax h LYS 42 Ca 0.37 0.05 0.34 0.00 -1.87 0.00 0.00 60.65 59.53 2dax h LYS 42 Cb 0.00 0.16 -0.16 0.00 0.08 0.00 0.00 32.23 32.31 2dax h LYS 42 CO -0.12 -0.47 0.49 0.22 -0.57 0.00 0.00 179.45 179.01 2dax h ASP 43 N -0.99 0.34 0.29 0.86 1.82 -1.18 0.23 116.42 117.78 2dax h ASP 43 Ca -0.07 0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2dax h ASP 43 Cb 0.55 0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.76 2dax h ASP 43 CO 0.12 -0.24 -0.27 0.00 -1.61 0.00 0.00 179.24 177.24 2dax h ILE 45 N -0.58 1.19 -0.52 0.00 2.04 -0.56 0.20 117.51 119.29 2dax h ILE 45 Ca -0.01 -0.56 0.10 0.00 1.00 0.00 0.00 64.86 65.39 2dax h ILE 45 Cb 0.52 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 38.09 2dax h ILE 45 CO -0.04 0.14 0.03 -0.33 0.00 0.00 0.00 178.15 177.95 2dax h GLU 46 N -0.24 0.15 -0.29 2.37 5.08 -0.63 0.45 114.58 121.47 2dax h GLU 46 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2dax h GLU 46 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2dax h GLU 46 CO 0.00 0.10 0.00 1.63 -1.00 0.00 0.00 179.01 179.74 2dax n LYS 47 N -5.20 1.03 -4.31 2.33 5.02 0.43 -4.86 118.16 112.59 2dax n LYS 47 Ca 0.06 -0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.96 2dax n LYS 47 Cb 0.28 -1.15 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 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 -0.34 -1.93 -3.91 1.97 5.02 0.16 -4.92 118.16 114.20 2dax n LYS 48 Ca 0.00 0.24 -0.11 0.00 -2.02 0.00 0.00 58.31 56.43 2dax n LYS 48 Cb 0.08 -4.59 -0.12 0.00 -0.02 0.00 0.00 35.03 30.38 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 -3.60 0.05 -0.46 -0.18 -1.32 0.67 -4.78 115.64 106.03 2dax s THR 49 Ca 0.52 -0.44 0.02 0.00 -1.21 0.00 0.00 61.69 60.59 2dax s THR 49 Cb -0.29 -0.17 0.14 0.00 -1.51 0.00 0.00 72.50 70.67 2dax s THR 49 CO 0.97 -0.24 0.26 -0.04 -2.21 0.00 0.00 174.62 173.36 2dax s MET 50 N -0.72 1.35 -0.06 7.08 -1.94 -1.26 -4.10 119.30 119.66 2dax s MET 50 Ca -0.08 -2.11 -0.23 0.00 -1.71 0.00 0.00 55.69 51.56 2dax s MET 50 Cb -0.05 -2.37 -0.27 0.00 2.01 0.00 0.00 34.83 34.15 2dax s MET 50 CO -0.00 -1.18 0.93 1.05 -0.01 0.00 0.00 175.02 175.81 2dax h GLU 51 N 6.57 0.24 0.00 2.03 4.11 -1.99 -3.49 114.58 122.04 2dax h GLU 51 Ca 0.02 -0.34 0.00 0.00 0.07 0.00 0.00 59.36 59.11 2dax h GLU 51 Cb 0.91 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2dax h GLU 51 CO 0.49 1.11 0.00 0.41 0.07 0.00 0.00 179.01 181.09 2dax n GLY 52 N 1.43 1.83 3.76 1.06 0.00 -1.26 -5.12 105.19 106.89 2dax n GLY 52 Ca -0.12 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 2dax n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dax s ARG 53 N -0.21 3.25 -0.13 1.61 3.03 -1.26 -4.95 118.95 120.29 2dax s ARG 53 Ca 0.00 1.86 0.17 0.00 2.03 0.00 0.00 55.73 59.79 2dax s ARG 53 Cb 0.00 -2.12 0.29 0.00 -1.03 0.00 0.00 34.95 32.10 2dax s ARG 53 CO 0.00 -0.99 1.15 0.45 -1.13 0.00 0.00 175.30 174.78 2dax n SER 54 N -1.18 2.15 -4.11 -2.89 2.88 -1.26 -4.99 113.62 104.22 2dax n SER 54 Ca 0.11 -3.12 -0.30 0.00 -1.33 0.00 0.00 58.87 54.23 2dax n SER 54 Cb 0.49 -0.43 -0.17 0.00 -0.75 0.00 0.00 64.21 63.35 2dax n SER 54 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dax s SER 55 N -2.82 2.77 -0.09 -3.46 0.15 -1.26 -5.11 113.70 103.88 2dax s SER 55 Ca 0.31 -0.52 -0.25 0.00 0.70 0.00 0.00 55.95 56.19 2dax s SER 55 Cb 0.28 -1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 63.29 2dax s SER 55 CO 0.02 0.04 0.79 -0.54 1.20 0.00 0.00 173.24 174.75 2dax s LYS 56 N 0.92 4.41 -0.24 5.44 1.02 -1.26 -4.78 119.74 125.24 2dax s LYS 56 Ca -0.06 1.01 -0.29 0.00 0.02 0.00 0.00 55.97 56.65 2dax s LYS 56 Cb -0.15 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 2dax s LYS 56 CO -0.02 -0.09 1.86 0.08 -0.92 0.00 0.00 175.35 176.26 2dax s VAL 57 N 1.30 3.39 -0.14 3.17 1.01 -1.17 -4.87 120.40 123.09 2dax s VAL 57 Ca 0.40 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.80 2dax s VAL 57 Cb -0.18 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2dax s VAL 57 CO 0.18 -0.25 -0.15 -0.47 0.00 0.00 0.00 175.10 174.41 2dax s TYR 58 N 6.56 2.78 -0.25 5.22 5.04 -1.26 -1.04 117.35 134.40 2dax s TYR 58 Ca 0.83 -0.85 -0.07 0.00 -2.44 0.00 0.00 57.07 54.53 2dax s TYR 58 Cb -0.27 -1.85 0.12 0.00 0.35 0.00 0.00 41.96 40.30 2dax s TYR 58 CO 0.33 -0.35 0.52 -0.59 -1.34 0.00 0.00 175.55 174.13 2dax s PHE 59 N 0.57 -1.07 0.14 4.97 -0.71 -0.94 -2.64 117.98 118.28 2dax s PHE 59 Ca -0.09 1.81 -0.16 0.00 -1.04 0.00 0.00 56.93 57.46 2dax s PHE 59 Cb -0.16 0.50 -0.07 0.00 -1.21 0.00 0.00 43.02 42.08 2dax s PHE 59 CO 0.04 -0.60 0.56 0.99 -1.34 0.00 0.00 175.22 174.87 2dax s THR 60 N 2.74 4.82 -0.12 -4.49 2.01 -0.36 -2.62 115.64 117.62 2dax s THR 60 Ca -0.01 0.93 0.02 0.00 0.31 0.00 0.00 61.69 62.94 2dax s THR 60 Cb -0.12 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 2dax s THR 60 CO -0.16 0.30 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.26 2dax s ILE 61 N -1.40 2.55 -0.36 1.82 1.01 -1.01 -0.65 121.20 123.16 2dax s ILE 61 Ca 0.36 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 2dax s ILE 61 Cb -0.16 -2.04 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 2dax s ILE 61 CO 0.19 0.54 0.25 0.20 0.00 0.00 0.00 174.94 176.12 2dax s ASN 62 N 0.46 6.03 -0.27 3.58 0.01 0.20 -1.87 114.94 123.07 2dax s ASN 62 Ca -0.13 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.44 2dax s ASN 62 Cb -0.17 -2.13 0.05 0.00 0.41 0.00 0.00 41.25 39.41 2dax s ASN 62 CO 0.05 -0.30 -0.07 -0.04 -1.51 0.00 0.00 177.10 175.24 2dax s MET 63 N 1.70 2.46 -0.52 -0.60 -1.94 -1.05 -4.33 119.30 115.02 2dax s MET 63 Ca 0.06 -1.22 -0.26 0.00 -1.71 0.00 0.00 55.69 52.56 2dax s MET 63 Cb -0.18 -2.99 0.03 0.00 2.01 0.00 0.00 34.83 33.71 2dax s MET 63 CO 0.10 -0.54 0.99 0.54 -0.01 0.00 0.00 175.02 176.11 2dax s ASN 64 N 1.20 6.43 0.15 3.03 4.22 -1.26 -1.81 114.94 126.91 2dax s ASN 64 Ca -0.05 -0.05 0.02 0.00 -2.14 0.00 0.00 52.86 50.64 2dax s ASN 64 Cb -0.19 -2.47 -0.04 0.00 1.28 0.00 0.00 41.25 39.83 2dax s ASN 64 CO -0.04 -1.21 -0.03 -0.76 -2.04 0.00 0.00 177.10 173.01 2dax s LEU 65 N 4.10 2.30 0.31 3.54 1.43 -0.87 -4.90 118.68 124.59 2dax s LEU 65 Ca 0.36 -1.10 -0.28 0.00 -1.03 0.00 0.00 54.13 52.08 2dax s LEU 65 Cb -0.10 -0.11 -0.09 0.00 0.03 0.00 0.00 46.19 45.91 2dax s LEU 65 CO 0.24 -0.50 1.11 1.51 0.23 0.00 0.00 176.35 178.94 2dax s ASP 66 N -3.14 7.09 -0.02 2.29 -4.77 -1.26 -1.37 116.67 115.49 2dax s ASP 66 Ca 0.19 2.26 -0.03 0.00 -3.30 0.00 0.00 52.55 51.67 2dax s ASP 66 Cb 0.05 -2.62 -0.02 0.00 -1.09 0.00 0.00 42.92 39.24 2dax s ASP 66 CO 0.01 -0.27 -0.07 1.33 0.70 0.00 0.00 175.17 176.87 2dax n VAL 67 N 0.86 0.60 -3.83 2.11 0.24 -0.65 -4.61 118.33 113.04 2dax n VAL 67 Ca 0.00 0.06 0.02 0.00 -2.04 0.00 0.00 64.34 62.38 2dax n VAL 67 Cb 0.46 -1.63 0.01 0.00 -1.47 0.00 0.00 33.84 31.21 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 -5.64 -0.02 -1.22 -1.34 0.01 -1.23 -4.43 113.70 99.83 2dax s SER 68 Ca -0.07 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2dax s SER 68 Cb 0.02 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2dax s SER 68 CO 0.09 -0.37 0.00 -0.90 0.41 0.00 0.00 173.24 172.48 2dax n ASP 69 N -0.85 -3.67 -2.03 2.44 5.68 -1.26 0.17 116.55 117.03 2dax n ASP 69 Ca -0.02 0.25 -0.19 0.00 -0.50 0.00 0.00 54.79 54.33 2dax n ASP 69 Cb 0.60 -3.27 -0.02 0.00 -1.14 0.00 0.00 41.12 37.29 2dax n ASP 69 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2dax n GLU 70 N -2.33 -1.48 -4.35 0.11 2.13 -1.26 -4.99 120.64 108.48 2dax n GLU 70 Ca -0.14 0.96 -0.26 0.00 0.66 0.00 0.00 57.16 58.39 2dax n GLU 70 Cb 0.52 -5.47 -0.09 0.00 0.27 0.00 0.00 31.44 26.66 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2dax s LYS 71 N -4.70 1.93 0.34 5.31 -0.14 0.13 -5.04 119.74 117.56 2dax s LYS 71 Ca 0.00 -1.44 0.08 0.00 -1.36 0.00 0.00 55.97 53.25 2dax s LYS 71 Cb 0.00 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.08 2dax s LYS 71 CO 0.00 0.39 0.13 -1.64 -0.76 0.00 0.00 175.35 173.47 2dax s MET 72 N -3.09 2.34 0.07 1.68 -1.94 -1.26 -1.64 119.30 115.45 2dax s MET 72 Ca 0.26 -1.57 -0.24 0.00 -1.71 0.00 0.00 55.69 52.44 2dax s MET 72 Cb -0.07 -2.15 0.06 0.00 2.01 0.00 0.00 34.83 34.68 2dax s MET 72 CO 0.15 0.12 0.57 0.00 -0.01 0.00 0.00 175.02 175.85 2dax s ALA 73 N -2.43 -1.47 0.24 3.03 0.00 -0.47 -4.88 121.76 115.77 2dax s ALA 73 Ca 0.37 0.65 -0.21 0.00 0.00 0.00 0.00 51.96 52.78 2dax s ALA 73 Cb -0.02 0.50 -0.08 0.00 0.00 0.00 0.00 23.12 23.51 2dax s ALA 73 CO 0.22 -0.58 0.76 1.41 0.00 0.00 0.00 175.76 177.58 2dax s MET 74 N -2.73 4.31 -0.23 0.00 1.75 -1.26 -2.05 119.30 119.09 2dax s MET 74 Ca -0.04 0.95 0.02 0.00 -1.25 0.00 0.00 55.69 55.36 2dax s MET 74 Cb -0.00 -2.87 0.04 0.00 2.84 0.00 0.00 34.83 34.84 2dax s MET 74 CO -0.04 0.38 -0.13 -0.06 -0.65 0.00 0.00 175.02 174.52 2dax s PHE 75 N -1.53 3.07 -0.27 4.11 0.40 -0.75 -4.80 117.98 118.21 2dax s PHE 75 Ca 0.44 -1.98 -0.25 0.00 -0.60 0.00 0.00 56.93 54.54 2dax s PHE 75 Cb -0.17 -1.95 -0.00 0.00 0.51 0.00 0.00 43.02 41.41 2dax s PHE 75 CO 0.21 -0.83 0.84 -1.12 0.70 0.00 0.00 175.22 175.02 2dax s SER 76 N 1.20 6.79 -0.55 1.36 0.01 -0.75 -2.51 113.70 119.25 2dax s SER 76 Ca -0.03 0.92 -0.01 0.00 1.31 0.00 0.00 55.95 58.14 2dax s SER 76 Cb -0.17 -2.44 0.14 0.00 0.21 0.00 0.00 66.02 63.76 2dax s SER 76 CO -0.08 -0.58 0.34 -0.76 0.41 0.00 0.00 173.24 172.57 2dax s LEU 77 N 2.95 5.06 -0.78 2.44 1.02 -0.78 -0.54 118.68 128.05 2dax s LEU 77 Ca 0.35 -2.67 -0.25 0.00 0.02 0.00 0.00 54.13 51.57 2dax s LEU 77 Cb -0.15 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 2dax s LEU 77 CO 0.10 -0.38 1.77 0.00 0.02 0.00 0.00 176.35 177.85 2dax s ALA 78 N 0.20 2.13 -0.37 4.21 0.00 -0.98 -2.41 121.76 124.54 2dax s ALA 78 Ca 0.15 -1.23 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 2dax s ALA 78 Cb -0.22 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.49 2dax s ALA 78 CO -0.03 -4.11 0.40 0.00 0.00 0.00 0.00 175.76 172.02 2dax s ILE 80 N 2.08 2.88 -0.28 0.00 1.01 -1.26 -2.22 121.20 123.41 2dax s ILE 80 Ca 0.12 -1.38 -0.27 0.00 0.00 0.00 0.00 60.65 59.13 2dax s ILE 80 Cb -0.17 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.67 2dax s ILE 80 CO 0.12 -0.07 0.94 -0.76 0.00 0.00 0.00 174.94 175.17 2dax s LEU 81 N 1.24 4.05 0.00 2.97 1.43 -0.20 -2.11 118.68 126.06 2dax s LEU 81 Ca -0.05 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.96 2dax s LEU 81 Cb -0.19 -3.34 0.17 0.00 0.03 0.00 0.00 46.19 42.85 2dax s LEU 81 CO -0.02 -0.68 0.60 -0.81 0.23 0.00 0.00 176.35 175.68 2dax n PRO 82 N 6.36 -2.19 -0.87 1.29 -0.04 -1.26 -3.04 135.00 135.26 2dax n PRO 82 Ca 0.08 -0.96 -0.10 0.00 -0.04 0.00 0.00 63.50 62.48 2dax n PRO 82 Cb 0.47 -0.90 0.20 0.00 -0.04 0.00 0.00 33.50 33.24 2dax n PRO 82 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2dax n PHE 83 N -3.80 2.13 0.00 0.54 3.72 -1.26 -4.14 117.46 114.65 2dax n PHE 83 Ca 0.08 -1.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.28 2dax n PHE 83 Cb 0.32 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 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 -0.33 0.00 -0.74 -1.08 5.02 -1.26 -5.07 118.16 114.70 2dax n LYS 84 Ca 0.38 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.42 2dax n LYS 84 Cb 1.27 -0.79 -0.01 0.00 -0.02 0.00 0.00 35.03 35.47 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 -2.34 -0.44 0.55 2.13 9.36 -1.25 -0.96 117.16 124.22 2dax n TYR 85 Ca 0.00 0.49 0.07 0.00 3.32 0.00 0.00 57.90 61.77 2dax n TYR 85 Cb 0.37 -1.04 0.32 0.00 -0.63 0.00 0.00 39.34 38.37 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 0.57 0.06 0.00 2.98 -0.04 -1.26 -4.76 135.00 132.56 2dax n PRO 86 Ca 0.09 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2dax n PRO 86 Cb 0.15 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.44 0.00 -3.00 0.55 0.00 -0.13 -4.15 120.51 112.35 2dax n ALA 87 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 2dax n ALA 87 Cb 0.15 0.23 -0.12 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.35 3.80 0.83 0.00 -7.23 -1.26 -4.70 120.40 109.49 2dax s VAL 88 Ca 0.00 -0.39 -0.16 0.00 -1.81 0.00 0.00 61.98 59.63 2dax s VAL 88 Cb 0.00 -2.67 -0.07 0.00 0.56 0.00 0.00 36.38 34.21 2dax s VAL 88 CO 0.00 0.49 0.03 0.18 -0.31 0.00 0.00 175.10 175.49 2dax n LEU 89 N 3.65 -2.00 0.00 1.32 4.32 -1.26 -3.80 117.00 119.23 2dax n LEU 89 Ca -0.17 0.42 -0.21 0.00 -0.02 0.00 0.00 56.01 56.03 2dax n LEU 89 Cb 0.52 -1.03 0.17 0.00 -1.62 0.00 0.00 43.42 41.46 2dax n LEU 89 CO 0.32 -4.31 0.42 -0.81 -1.22 0.00 0.00 177.39 171.79 2dax n PRO 90 N 0.25 -2.50 -2.82 3.23 -0.04 -1.26 -4.82 135.00 127.03 2dax n PRO 90 Ca 0.05 -1.20 -0.29 0.00 -0.04 0.00 0.00 63.50 62.02 2dax n PRO 90 Cb 0.52 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 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 -3.81 3.56 -2.00 0.54 -0.58 -0.89 -4.97 120.64 112.48 2dax n GLU 91 Ca 0.10 -4.77 -0.42 0.00 -0.42 0.00 0.00 57.16 51.65 2dax n GLU 91 Cb 0.41 -2.27 -0.03 0.00 -0.57 0.00 0.00 31.44 28.97 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 -4.60 3.23 -0.32 -3.67 1.01 -1.25 -4.03 121.20 111.57 2dax s ILE 92 Ca 0.48 0.64 0.03 0.00 0.00 0.00 0.00 60.65 61.80 2dax s ILE 92 Cb 0.29 -3.41 0.09 0.00 0.01 0.00 0.00 42.46 39.44 2dax s ILE 92 CO -0.15 -0.01 0.03 -0.89 0.00 0.00 0.00 174.94 173.92 2dax s THR 93 N 2.71 2.08 -0.29 2.92 2.01 -0.49 -4.90 115.64 119.68 2dax s THR 93 Ca 0.72 -2.09 -0.29 0.00 0.31 0.00 0.00 61.69 60.33 2dax s THR 93 Cb -0.37 -2.48 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 2dax s THR 93 CO 0.31 -0.50 1.32 -0.69 -0.69 0.00 0.00 174.62 174.37 2dax s VAL 94 N 1.03 4.11 -0.07 3.82 1.01 -1.26 -2.32 120.40 126.72 2dax s VAL 94 Ca 0.07 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.35 2dax s VAL 94 Cb -0.19 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2dax s VAL 94 CO -0.09 -0.46 -0.19 -0.13 0.00 0.00 0.00 175.10 174.23 2dax s ARG 95 N 4.19 2.17 -0.18 2.72 1.81 0.30 -4.85 118.95 125.11 2dax s ARG 95 Ca 0.57 -0.66 -0.04 0.00 -1.72 0.00 0.00 55.73 53.88 2dax s ARG 95 Cb -0.17 -1.78 0.08 0.00 -0.45 0.00 0.00 34.95 32.63 2dax s ARG 95 CO 0.23 0.19 0.21 0.45 -0.68 0.00 0.00 175.30 175.70 2dax s SER 96 N 0.25 1.29 0.34 0.23 0.15 -1.26 -1.81 113.70 112.90 2dax s SER 96 Ca -0.10 -0.12 0.26 0.00 0.70 0.00 0.00 55.95 56.69 2dax s SER 96 Cb -0.15 0.35 1.16 0.00 -1.71 0.00 0.00 66.02 65.67 2dax s SER 96 CO 0.04 -0.31 1.19 1.33 1.20 0.00 0.00 173.24 176.69 2dax n VAL 97 N 5.32 -0.17 0.32 4.45 0.24 -1.26 0.10 118.33 127.33 2dax n VAL 97 Ca -0.05 1.35 -0.16 0.00 -2.04 0.00 0.00 64.34 63.43 2dax n VAL 97 Cb 0.50 -2.21 -0.08 0.00 -1.47 0.00 0.00 33.84 30.57 2dax n VAL 97 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2dax h LEU 98 N 0.00 -0.67 -9.95 1.34 3.38 -1.95 -3.43 115.31 104.03 2dax h LEU 98 Ca 0.67 -0.01 -0.50 0.00 0.09 0.00 0.00 57.88 58.13 2dax h LEU 98 Cb 2.24 0.17 0.05 0.00 0.09 0.00 0.00 40.66 43.21 2dax h LEU 98 CO -0.32 -0.41 0.49 -0.76 0.09 0.00 0.00 178.44 177.53 2dax s LEU 99 N -9.90 4.16 0.12 1.67 1.43 0.28 -5.03 118.68 111.41 2dax s LEU 99 Ca -0.16 2.30 -0.03 0.00 -1.03 0.00 0.00 54.13 55.21 2dax s LEU 99 Cb 0.03 -4.08 -0.05 0.00 0.03 0.00 0.00 46.19 42.12 2dax s LEU 99 CO 0.58 -0.69 0.32 -0.55 0.23 0.00 0.00 176.35 176.24 2dax s SER 100 N -1.23 6.44 0.62 2.29 0.15 -1.26 -4.63 113.70 116.08 2dax s SER 100 Ca 0.58 0.46 0.21 0.00 0.70 0.00 0.00 55.95 57.91 2dax s SER 100 Cb -0.29 -2.04 0.84 0.00 -1.71 0.00 0.00 66.02 62.82 2dax s SER 100 CO 0.36 0.08 1.36 0.03 1.20 0.00 0.00 173.24 176.28 2dax h ARG 101 N 2.81 0.00 0.20 5.44 3.08 -1.96 0.53 114.38 124.48 2dax h ARG 101 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 2dax h ARG 101 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2dax h ARG 101 CO 0.73 0.00 -0.09 1.03 -1.07 0.00 0.00 179.97 180.57 2dax h SER 102 N 0.00 -0.22 0.04 7.04 0.87 -2.01 -3.10 113.55 116.16 2dax h SER 102 Ca 0.31 -0.30 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 2dax h SER 102 Cb 2.31 0.06 0.01 0.00 -0.44 0.00 0.00 62.40 64.34 2dax h SER 102 CO -0.00 0.29 -0.36 0.06 -0.53 0.00 0.00 176.83 176.29 2dax h GLN 103 N -0.86 0.18 -0.51 2.24 -0.00 -0.69 -3.33 115.11 112.13 2dax h GLN 103 Ca -0.03 -0.24 0.05 0.00 -0.00 0.00 0.00 58.65 58.43 2dax h GLN 103 Cb 0.51 0.08 -0.07 0.00 -0.00 0.00 0.00 27.48 28.00 2dax h GLN 103 CO 0.04 1.04 -0.43 0.37 -0.00 0.00 0.00 178.83 179.86 2dax h GLN 104 N -0.57 -0.15 -1.22 0.06 5.75 -0.35 0.42 115.11 119.05 2dax h GLN 104 Ca -0.05 0.01 0.39 0.00 -0.15 0.00 0.00 58.65 58.85 2dax h GLN 104 Cb 1.19 0.04 -0.13 0.00 1.07 0.00 0.00 27.48 29.65 2dax h GLN 104 CO 0.07 -0.10 0.77 0.00 -2.65 0.00 0.00 178.83 176.92 2dax h THR 105 N -0.16 0.21 -0.01 2.39 1.03 -1.69 0.36 112.91 115.04 2dax h THR 105 Ca 0.08 -0.06 -0.00 0.00 -0.01 0.00 0.00 66.41 66.43 2dax h THR 105 Cb 0.38 0.03 -0.00 0.00 -1.07 0.00 0.00 68.15 67.49 2dax h THR 105 CO -0.56 0.03 0.00 -0.61 -0.01 0.00 0.00 175.52 174.37 2dax h GLN 106 N 0.16 0.01 -0.42 0.00 5.75 -0.28 0.07 115.11 120.40 2dax h GLN 106 Ca 0.77 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 59.26 2dax h GLN 106 Cb 2.27 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.80 2dax h GLN 106 CO -0.43 0.10 0.22 1.25 -2.65 0.00 0.00 178.83 177.32 2dax h LEU 107 N -0.08 0.51 0.42 -2.39 6.46 0.14 -3.00 115.31 117.37 2dax h LEU 107 Ca 0.00 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 2dax h LEU 107 Cb 0.09 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2dax h LEU 107 CO -0.00 0.43 -0.20 0.78 -0.62 0.00 0.00 178.44 178.82 2dax h ASN 108 N 0.59 -0.48 -0.83 1.25 2.35 -0.97 0.49 115.58 117.97 2dax h ASN 108 Ca 0.15 -0.08 0.24 0.00 -0.55 0.00 0.00 56.30 56.07 2dax h ASN 108 Cb 0.03 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 2dax h ASN 108 CO -0.02 -0.06 1.01 0.74 -1.65 0.00 0.00 177.43 177.45 2dax h THR 109 N -1.06 0.09 0.00 2.81 2.02 -0.89 -0.25 112.91 115.63 2dax h THR 109 Ca -0.06 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.96 2dax h THR 109 Cb 0.53 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2dax h THR 109 CO 0.10 0.00 -1.22 -0.67 0.37 0.00 0.00 175.52 174.09 2dax n ASP 110 N -3.32 1.88 -0.27 4.18 -0.08 -1.14 -3.77 116.55 114.02 2dax n ASP 110 Ca 0.18 0.46 0.16 0.00 -1.51 0.00 0.00 54.79 54.09 2dax n ASP 110 Cb 1.28 -0.87 0.31 0.00 2.34 0.00 0.00 41.12 44.18 2dax n ASP 110 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2dax n LEU 111 N -4.46 0.02 -0.03 -2.67 7.94 0.15 0.11 117.00 118.07 2dax n LEU 111 Ca -0.25 1.36 -0.13 0.00 -1.11 0.00 0.00 56.01 55.88 2dax n LEU 111 Cb 0.56 -0.55 -0.09 0.00 0.53 0.00 0.00 43.42 43.88 2dax n LEU 111 CO 0.14 -1.42 0.63 0.74 -1.11 0.00 0.00 177.39 176.37 2dax h THR 112 N 0.00 1.36 -0.94 1.96 2.02 -1.63 -3.17 112.91 112.51 2dax h THR 112 Ca 0.55 -1.17 0.18 0.00 0.77 0.00 0.00 66.41 66.74 2dax h THR 112 Cb 1.26 2.02 -0.11 0.00 -1.74 0.00 0.00 68.15 69.58 2dax h THR 112 CO -0.72 0.32 0.52 0.00 0.37 0.00 0.00 175.52 176.02 2dax h ALA 113 N 0.57 1.51 -0.35 6.16 0.00 0.68 -1.65 119.26 126.17 2dax h ALA 113 Ca 0.01 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2dax h ALA 113 Cb 0.54 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2dax h ALA 113 CO 0.01 -0.11 -0.45 0.35 0.00 0.00 0.00 179.25 179.05 2dax h PHE 114 N 0.66 -1.32 -0.09 0.00 3.57 -1.07 -2.04 116.94 116.65 2dax h PHE 114 Ca 0.54 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 62.10 2dax h PHE 114 Cb 0.85 0.62 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 2dax h PHE 114 CO -0.05 -0.46 0.04 -0.07 -2.23 0.00 0.00 178.31 175.54 2dax h LEU 115 N -0.37 0.13 -1.13 0.59 3.38 -1.46 0.11 115.31 116.55 2dax h LEU 115 Ca 0.12 -0.16 0.43 0.00 0.09 0.00 0.00 57.88 58.35 2dax h LEU 115 Cb 0.60 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.16 2dax h LEU 115 CO -0.54 0.26 0.68 0.00 0.09 0.00 0.00 178.44 178.92 2dax n GLN 116 N -4.93 -0.05 -0.06 1.13 1.13 -0.69 0.11 117.38 114.02 2dax n GLN 116 Ca -0.06 1.27 -0.05 0.00 -1.94 0.00 0.00 57.00 56.22 2dax n GLN 116 Cb 0.11 -2.38 -0.02 0.00 0.11 0.00 0.00 30.24 28.07 2dax n GLN 116 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2dax n LYS 117 N -4.92 0.36 0.16 -1.09 4.81 -0.90 -4.26 118.16 112.33 2dax n LYS 117 Ca 0.38 0.34 -0.17 0.00 -0.87 0.00 0.00 58.31 57.99 2dax n LYS 117 Cb 1.37 -1.36 -0.10 0.00 0.02 0.00 0.00 35.03 34.96 2dax n LYS 117 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dax h HIS 118 N -0.75 -1.52 -3.74 5.64 3.86 -0.30 -3.37 115.15 114.97 2dax h HIS 118 Ca 0.00 0.03 -0.67 0.00 -1.16 0.00 0.00 60.37 58.57 2dax h HIS 118 Cb 0.52 0.63 -0.36 0.00 1.06 0.00 0.00 27.41 29.26 2dax h HIS 118 CO -0.22 -0.62 -0.72 0.00 0.86 0.00 0.00 177.93 177.22 2dax s HIS 120 N 1.10 2.13 0.00 0.00 5.04 -1.23 -3.75 115.29 118.59 2dax s HIS 120 Ca -0.01 -2.63 0.00 0.00 -1.54 0.00 0.00 55.06 50.89 2dax s HIS 120 Cb -0.20 -1.81 0.00 0.00 0.04 0.00 0.00 32.58 30.60 2dax s HIS 120 CO -0.04 -0.73 0.00 0.41 -2.34 0.00 0.00 174.74 172.03 2dax n GLY 121 N 2.93 1.44 3.72 1.59 0.00 -1.26 -5.10 105.19 108.51 2dax n GLY 121 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.51 0.27 -0.58 1.61 1.01 -1.26 -4.92 116.67 111.29 2dax s ASP 122 Ca 0.00 -1.24 -0.15 0.00 0.71 0.00 0.00 52.55 51.87 2dax s ASP 122 Cb 0.00 0.80 0.14 0.00 1.01 0.00 0.00 42.92 44.87 2dax s ASP 122 CO 0.00 -1.57 0.53 0.68 0.21 0.00 0.00 175.17 175.02 2dax s VAL 123 N -2.55 5.19 -0.34 -1.27 -7.23 -1.26 -4.71 120.40 108.22 2dax s VAL 123 Ca 0.20 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 2dax s VAL 123 Cb -0.04 -4.31 0.12 0.00 0.56 0.00 0.00 36.38 32.71 2dax s VAL 123 CO 0.14 -0.89 0.16 0.00 -0.31 0.00 0.00 175.10 174.20 2dax n ILE 125 N 4.49 1.60 0.37 0.00 2.08 -1.26 -4.52 119.36 122.11 2dax n ILE 125 Ca 0.02 -0.63 -0.18 0.00 0.56 0.00 0.00 62.75 62.52 2dax n ILE 125 Cb 0.39 -1.45 -0.09 0.00 -0.75 0.00 0.00 39.64 37.74 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 0.03 -0.96 -1.35 1.39 3.38 -2.00 -2.27 115.31 113.52 2dax h LEU 126 Ca -0.51 0.05 0.41 0.00 0.09 0.00 0.00 57.88 57.93 2dax h LEU 126 Cb 1.98 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 42.93 2dax h LEU 126 CO -0.01 -0.61 0.95 0.59 0.09 0.00 0.00 178.44 179.44 2dax n ASN 127 N -5.53 0.06 0.23 -0.43 4.13 -1.26 0.78 115.26 113.23 2dax n ASN 127 Ca -0.13 0.86 -0.11 0.00 1.68 0.00 0.00 54.58 56.88 2dax n ASN 127 Cb 0.42 -0.43 -0.06 0.00 -1.54 0.00 0.00 39.78 38.17 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 0.92 -0.64 -0.99 5.41 0.00 -1.64 -2.70 119.26 119.62 2dax h ALA 128 Ca 0.70 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.64 2dax h ALA 128 Cb 2.64 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 20.58 2dax h ALA 128 CO -0.13 -0.62 0.61 1.79 0.00 0.00 0.00 179.25 180.90 2dax h THR 129 N -1.11 0.70 0.00 0.00 1.35 0.37 0.62 112.91 114.83 2dax h THR 129 Ca -0.07 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 2dax h THR 129 Cb 0.54 -0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 66.90 2dax h THR 129 CO 0.11 0.13 -0.07 -0.33 -0.25 0.00 0.00 175.52 175.10 2dax h GLU 130 N 0.69 0.00 0.00 4.72 3.07 -1.37 -2.22 114.58 119.47 2dax h GLU 130 Ca 0.56 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.42 2dax h GLU 130 Cb 0.97 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.88 2dax h GLU 130 CO -0.34 0.07 -0.76 2.35 -1.40 0.00 0.00 179.01 178.93 2dax h TRP 131 N 0.00 0.00 0.00 4.33 7.01 0.56 -3.37 115.95 124.48 2dax h TRP 131 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2dax h TRP 131 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.54 2dax h TRP 131 CO 0.00 0.02 -0.09 0.28 -2.79 0.00 0.00 178.44 175.86 2dax h VAL 132 N 0.00 0.00 -1.46 2.65 2.07 -0.69 -2.70 116.25 116.12 2dax h VAL 132 Ca -0.00 -0.77 0.42 0.00 0.82 0.00 0.00 66.70 67.17 2dax h VAL 132 Cb 1.02 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 2dax h VAL 132 CO 0.00 0.00 1.20 -2.11 0.02 0.00 0.00 177.57 176.69 2dax n ARG 133 N -4.13 0.00 -0.04 1.57 1.85 -0.95 0.76 116.66 115.73 2dax n ARG 133 Ca -0.01 0.94 -0.02 0.00 -1.00 0.00 0.00 57.85 57.76 2dax n ARG 133 Cb 0.05 -2.23 -0.01 0.00 -1.05 0.00 0.00 32.46 29.22 2dax n ARG 133 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2dax h GLU 134 N 0.00 0.00 -0.01 2.89 4.81 -1.72 -3.35 114.58 117.19 2dax h GLU 134 Ca 0.69 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.95 2dax h GLU 134 Cb 3.09 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 32.43 2dax h GLU 134 CO -0.01 0.00 -0.18 0.45 -0.73 0.00 0.00 179.01 178.54 2dax h HIS 135 N -0.58 -0.48 -0.29 0.92 3.86 -0.63 -3.05 115.15 114.91 2dax h HIS 135 Ca 0.00 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 2dax h HIS 135 Cb 0.21 0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.86 2dax h HIS 135 CO -0.09 -0.26 -0.17 0.00 0.86 0.00 0.00 177.93 178.27 2dax n ALA 136 N -2.54 -0.19 -0.39 2.45 0.00 0.23 0.18 120.51 120.25 2dax n ALA 136 Ca -0.05 0.25 0.39 0.00 0.00 0.00 0.00 53.44 54.03 2dax n ALA 136 Cb 0.23 0.26 0.76 0.00 0.00 0.00 0.00 19.45 20.70 2dax n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dax h SER 137 N 0.00 0.00 -0.21 0.00 4.64 -1.67 0.37 113.55 116.68 2dax h SER 137 Ca 0.05 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 2dax h SER 137 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2dax h SER 137 CO -0.27 0.00 -0.33 1.23 -0.87 0.00 0.00 176.83 176.59 2dax h GLY 138 N 0.00 0.64 1.88 -0.77 0.00 0.20 -3.16 103.07 101.86 2dax h GLY 138 Ca 0.63 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 2dax h GLY 138 CO -0.01 0.65 -0.33 -0.97 0.00 0.00 0.00 176.54 175.89 2dax h TYR 139 N 0.27 0.16 -3.58 5.60 0.05 0.76 -3.40 116.97 116.83 2dax h TYR 139 Ca 0.02 -0.03 -0.67 0.00 0.05 0.00 0.00 58.73 58.10 2dax h TYR 139 Cb 0.92 -0.04 -0.17 0.00 1.01 0.00 0.00 36.73 38.45 2dax h TYR 139 CO 0.09 0.46 -0.10 0.14 -1.05 0.00 0.00 178.16 177.70 2dax s VAL 140 N -4.31 5.02 -0.03 -2.88 -7.23 -0.73 -5.03 120.40 105.21 2dax s VAL 140 Ca -0.04 -0.03 -0.23 0.00 -1.81 0.00 0.00 61.98 59.87 2dax s VAL 140 Cb 0.14 -4.04 0.05 0.00 0.56 0.00 0.00 36.38 33.09 2dax s VAL 140 CO 0.74 -0.38 0.51 -0.55 -0.31 0.00 0.00 175.10 175.11 2dax s SER 141 N 1.84 -0.44 0.27 4.85 0.15 -1.26 -4.66 113.70 114.45 2dax s SER 141 Ca 0.16 0.41 -0.26 0.00 0.70 0.00 0.00 55.95 56.96 2dax s SER 141 Cb -0.16 0.44 -0.16 0.00 -1.71 0.00 0.00 66.02 64.43 2dax s SER 141 CO 0.15 -0.54 0.56 -1.14 1.20 0.00 0.00 173.24 173.47 2dax n ARG 142 N 1.05 0.34 -2.33 5.44 0.63 -1.26 -4.88 116.66 115.65 2dax n ARG 142 Ca -0.20 0.12 -0.34 0.00 -0.92 0.00 0.00 57.85 56.50 2dax n ARG 142 Cb 0.57 -1.23 0.01 0.00 0.45 0.00 0.00 32.46 32.26 2dax n ARG 142 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2dax n ASP 143 N 1.80 6.24 -4.31 6.15 8.00 -1.26 -4.98 116.55 128.18 2dax n ASP 143 Ca 0.15 -3.76 -0.35 0.00 0.71 0.00 0.00 54.79 51.54 2dax n ASP 143 Cb 0.30 -0.83 -0.14 0.00 -0.02 0.00 0.00 41.12 40.43 2dax n ASP 143 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dax s THR 144 N -5.05 3.27 -0.09 -3.53 2.01 -1.26 -5.01 115.64 105.99 2dax s THR 144 Ca 0.48 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 2dax s THR 144 Cb 0.37 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 2dax s THR 144 CO -0.27 0.45 -0.15 -1.20 -0.69 0.00 0.00 174.62 172.75 2dax n SER 145 N 4.57 1.08 -4.50 3.53 7.64 -1.26 -4.97 113.62 119.71 2dax n SER 145 Ca -0.18 0.32 -0.44 0.00 1.01 0.00 0.00 58.87 59.58 2dax n SER 145 Cb 0.51 -0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 63.03 2dax n SER 145 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dax n SER 146 N -3.62 -0.07 -4.47 6.43 3.41 -1.26 -4.86 113.62 109.19 2dax n SER 146 Ca -0.06 1.06 -0.43 0.00 -0.26 0.00 0.00 58.87 59.18 2dax n SER 146 Cb 0.23 -1.15 -0.03 0.00 -0.26 0.00 0.00 64.21 62.99 2dax n SER 146 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dax s SER 147 N -0.81 6.36 0.00 4.04 0.01 -1.26 -4.82 113.70 117.22 2dax s SER 147 Ca 0.62 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.52 2dax s SER 147 Cb -0.70 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.09 2dax s SER 147 CO 0.58 -1.36 0.00 0.61 0.41 0.00 0.00 173.24 173.49 2dax n GLY 148 N 5.57 2.70 3.62 3.44 0.00 -1.26 -4.99 105.19 114.27 2dax n GLY 148 Ca 0.10 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 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 -4.89 3.71 -0.14 1.61 0.04 -1.26 -4.98 135.00 129.09 2dax s PRO 149 Ca 0.00 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.37 2dax s PRO 149 Cb 0.00 -4.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 2dax s PRO 149 CO 0.00 -1.40 0.80 0.45 0.04 0.00 0.00 177.00 176.89 2dax s SER 150 N 4.50 6.97 -0.27 6.66 0.15 -1.26 -4.95 113.70 125.49 2dax s SER 150 Ca 0.72 1.18 -0.35 0.00 0.70 0.00 0.00 55.95 58.20 2dax s SER 150 Cb -0.24 -2.44 -0.15 0.00 -1.71 0.00 0.00 66.02 61.47 2dax s SER 150 CO 0.30 -0.32 1.11 -1.20 1.20 0.00 0.00 173.24 174.33 2dax n SER 151 N 4.85 0.65 -0.64 5.45 7.64 -1.26 -5.28 113.62 125.02 2dax n SER 151 Ca 0.03 0.91 0.13 0.00 1.01 0.00 0.00 58.87 60.96 2dax n SER 151 Cb 0.49 -0.69 0.38 0.00 -1.01 0.00 0.00 64.21 63.39 2dax n SER 151 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64