#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dax h SER 2 N 0.00 0.00 -3.23 1.61 0.02 -1.95 -3.44 113.55 106.56 2dax h SER 2 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 2dax h SER 2 Cb 0.00 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.14 2dax h SER 2 CO 0.00 0.54 -0.47 -0.55 -1.14 0.00 0.00 176.83 175.21 2dax s SER 3 N -5.27 5.06 -0.39 3.07 0.15 -1.26 -4.91 113.70 110.15 2dax s SER 3 Ca -0.07 -3.78 -0.22 0.00 0.70 0.00 0.00 55.95 52.57 2dax s SER 3 Cb 0.01 -1.70 0.03 0.00 -1.71 0.00 0.00 66.02 62.65 2dax s SER 3 CO 0.11 -0.11 0.53 0.61 1.20 0.00 0.00 173.24 175.57 2dax n GLY 4 N 2.12 -0.93 4.04 9.45 0.00 -1.26 -3.06 105.19 115.55 2dax n GLY 4 Ca 0.19 1.06 -0.29 0.00 0.00 0.00 0.00 46.02 46.99 2dax n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dax n SER 5 N -0.04 -1.28 -4.78 1.61 2.88 -1.26 -4.72 113.62 106.02 2dax n SER 5 Ca 0.02 -1.01 -0.36 0.00 -1.33 0.00 0.00 58.87 56.19 2dax n SER 5 Cb 0.51 -2.96 -0.04 0.00 -0.75 0.00 0.00 64.21 60.96 2dax n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dax s SER 6 N -4.03 6.79 0.00 -3.46 0.15 -1.17 -4.51 113.70 107.46 2dax s SER 6 Ca 0.23 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.90 2dax s SER 6 Cb -0.13 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2dax s SER 6 CO 0.90 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 175.48 2dax n GLY 7 N 0.31 1.00 0.33 9.45 0.00 -1.26 -4.14 105.19 110.87 2dax n GLY 7 Ca 0.05 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.45 1.61 9.09 -2.01 0.24 114.58 123.06 2dax h GLU 8 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.32 2dax h GLU 8 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2dax h GLU 8 CO 0.00 0.00 -0.06 0.37 0.05 0.00 0.00 179.01 179.37 2dax h GLN 9 N 0.00 0.83 -0.30 1.06 4.15 -1.88 -0.71 115.11 118.26 2dax h GLN 9 Ca 0.00 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.11 2dax h GLN 9 Cb 0.99 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.61 2dax h GLN 9 CO 0.00 0.92 0.13 0.00 -1.93 0.00 0.00 178.83 177.95 2dax h ALA 10 N 0.88 1.68 0.03 3.38 0.00 -0.84 -2.93 119.26 121.46 2dax h ALA 10 Ca 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2dax h ALA 10 Cb 0.58 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2dax h ALA 10 CO 0.03 0.26 -0.25 0.93 0.00 0.00 0.00 179.25 180.23 2dax h GLU 11 N 0.42 0.12 -0.83 0.00 5.08 -1.54 -3.23 114.58 114.59 2dax h GLU 11 Ca 0.11 -0.17 0.21 0.00 -1.00 0.00 0.00 59.36 58.51 2dax h GLU 11 Cb 0.06 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 29.21 2dax h GLU 11 CO -0.01 1.00 -0.05 0.00 -1.00 0.00 0.00 179.01 178.95 2dax n ALA 12 N -2.59 0.35 0.25 3.43 0.00 -0.29 0.17 120.51 121.83 2dax n ALA 12 Ca -0.11 0.90 -0.10 0.00 0.00 0.00 0.00 53.44 54.13 2dax n ALA 12 Cb 0.55 -0.62 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.65 -0.32 0.00 4.20 -1.66 -3.13 115.11 113.55 2dax h GLN 13 Ca 0.47 0.04 0.05 0.00 0.06 0.00 0.00 58.65 59.27 2dax h GLN 13 Cb 0.90 0.15 -0.08 0.00 0.30 0.00 0.00 27.48 28.76 2dax h GLN 13 CO -0.80 -0.44 -0.53 1.25 -0.67 0.00 0.00 178.83 177.64 2dax h LEU 14 N -0.95 -1.74 -0.81 1.46 5.85 -1.03 -1.20 115.31 116.88 2dax h LEU 14 Ca -0.07 0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.98 2dax h LEU 14 Cb 0.52 0.71 -0.12 0.00 0.37 0.00 0.00 40.66 42.14 2dax h LEU 14 CO 0.11 -0.43 -0.38 0.00 -0.34 0.00 0.00 178.44 177.41 2dax n ALA 15 N -3.05 -0.25 0.07 1.25 0.00 0.12 0.22 120.51 118.88 2dax n ALA 15 Ca -0.04 0.77 -0.12 0.00 0.00 0.00 0.00 53.44 54.05 2dax n ALA 15 Cb 0.36 -0.27 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.11 -0.59 0.00 4.81 -1.26 -2.81 114.58 114.62 2dax h GLU 16 Ca 0.23 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.55 2dax h GLU 16 Cb 0.43 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.73 2dax h GLU 16 CO -0.79 -0.08 -0.44 -0.07 -0.73 0.00 0.00 179.01 176.90 2dax h LEU 17 N -0.12 -1.52 -0.61 1.64 3.38 0.92 0.66 115.31 119.66 2dax h LEU 17 Ca 0.00 0.25 0.13 0.00 0.09 0.00 0.00 57.88 58.35 2dax h LEU 17 Cb 0.11 0.69 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 2dax h LEU 17 CO -0.01 -0.33 0.03 -0.78 0.09 0.00 0.00 178.44 177.43 2dax h ASP 18 N -0.22 -0.22 0.11 -0.43 1.82 -1.05 -1.89 116.42 114.54 2dax h ASP 18 Ca 0.18 0.14 0.02 0.00 -0.39 0.00 0.00 57.03 56.98 2dax h ASP 18 Cb 0.56 0.25 -0.04 0.00 0.68 0.00 0.00 39.33 40.78 2dax h ASP 18 CO -0.70 -0.09 -0.36 0.25 -1.61 0.00 0.00 179.24 176.73 2dax h LEU 19 N 0.14 -1.05 -0.21 2.28 6.46 -0.66 -2.94 115.31 119.34 2dax h LEU 19 Ca 0.32 0.12 0.03 0.00 -0.12 0.00 0.00 57.88 58.23 2dax h LEU 19 Cb 0.51 0.40 -0.06 0.00 -0.73 0.00 0.00 40.66 40.78 2dax h LEU 19 CO -0.50 -0.44 -0.46 -0.07 -0.62 0.00 0.00 178.44 176.34 2dax h LEU 20 N -0.58 -1.51 -0.75 2.25 3.38 -0.50 0.27 115.31 117.87 2dax h LEU 20 Ca 0.03 0.19 0.31 0.00 0.09 0.00 0.00 57.88 58.49 2dax h LEU 20 Cb 0.62 0.60 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 2dax h LEU 20 CO -0.22 -0.38 0.38 0.00 0.09 0.00 0.00 178.44 178.31 2dax n ALA 21 N -2.97 0.74 -0.01 1.53 0.00 -0.86 0.23 120.51 119.17 2dax n ALA 21 Ca -0.04 0.77 -0.17 0.00 0.00 0.00 0.00 53.44 53.99 2dax n ALA 21 Cb 0.31 -0.75 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 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 0.69 -0.31 0.00 0.02 -0.87 -3.24 113.55 109.85 2dax h SER 22 Ca 0.62 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2dax h SER 22 Cb 1.63 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 2dax h SER 22 CO -0.59 1.27 0.20 0.24 -1.14 0.00 0.00 176.83 176.82 2dax h MET 23 N 0.17 0.40 -3.13 3.45 2.07 0.38 -3.29 114.93 115.00 2dax h MET 23 Ca -0.06 -0.02 -0.73 0.00 -2.07 0.00 0.00 59.70 56.82 2dax h MET 23 Cb 1.30 -0.09 -0.34 0.00 -1.87 0.00 0.00 31.60 30.61 2dax h MET 23 CO 0.13 0.27 0.10 1.19 1.07 0.00 0.00 176.91 179.67 2dax n PHE 24 N -4.87 3.95 -0.06 -0.22 3.01 0.23 -4.87 117.46 114.62 2dax n PHE 24 Ca -0.01 -3.81 -0.13 0.00 1.01 0.00 0.00 57.45 54.51 2dax n PHE 24 Cb 0.02 -1.18 -0.07 0.00 -0.01 0.00 0.00 39.48 38.25 2dax n PHE 24 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dax h PRO 25 N 5.74 0.41 -6.07 -1.08 0.13 -1.63 -3.38 132.00 126.12 2dax h PRO 25 Ca 0.18 -0.22 -0.81 0.00 -0.87 0.00 0.00 66.00 64.28 2dax h PRO 25 Cb 0.76 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.91 2dax h PRO 25 CO 0.97 0.78 0.75 0.41 -0.23 0.00 0.00 178.00 180.68 2dax n GLY 26 N 0.18 0.46 0.50 1.56 0.00 -1.26 -4.76 105.19 101.87 2dax n GLY 26 Ca -0.06 0.96 0.32 0.00 0.00 0.00 0.00 46.02 47.24 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 5.84 0.12 0.15 1.61 4.11 -1.87 0.20 114.58 124.74 2dax h GLU 27 Ca -0.45 -0.01 -0.34 0.00 0.07 0.00 0.00 59.36 58.63 2dax h GLU 27 Cb 1.35 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 2dax h GLU 27 CO 0.95 0.08 -1.73 -2.95 0.07 0.00 0.00 179.01 175.43 2dax h ASN 28 N 0.12 0.51 -0.87 3.06 7.08 -1.95 -3.36 115.58 120.18 2dax h ASN 28 Ca 0.60 -0.80 0.20 0.00 -3.08 0.00 0.00 56.30 53.23 2dax h ASN 28 Cb 2.11 -0.17 -0.12 0.00 -2.08 0.00 0.00 38.32 38.06 2dax h ASN 28 CO -0.12 1.68 0.36 -0.33 -2.08 0.00 0.00 177.43 176.94 2dax h GLU 29 N 0.09 0.39 -3.39 4.14 3.07 -0.82 -3.36 114.58 114.69 2dax h GLU 29 Ca -0.33 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 58.30 2dax h GLU 29 Cb 2.07 -0.09 -0.28 0.00 -0.84 0.00 0.00 28.75 29.61 2dax h GLU 29 CO 0.16 0.26 -0.58 -1.17 -1.40 0.00 0.00 179.01 176.28 2dax s LEU 30 N -10.49 1.33 -0.12 1.33 0.20 -0.94 0.42 118.68 110.41 2dax s LEU 30 Ca -0.12 0.26 -0.01 0.00 0.69 0.00 0.00 54.13 54.95 2dax s LEU 30 Cb 0.24 0.41 0.04 0.00 -0.43 0.00 0.00 46.19 46.45 2dax s LEU 30 CO 0.78 -0.07 -0.01 -0.63 -0.29 0.00 0.00 176.35 176.13 2dax s ILE 31 N 0.34 0.60 -0.75 6.68 1.09 -0.42 -4.64 121.20 124.10 2dax s ILE 31 Ca -0.02 -0.20 -0.16 0.00 -1.10 0.00 0.00 60.65 59.16 2dax s ILE 31 Cb -0.03 -0.83 0.16 0.00 -1.06 0.00 0.00 42.46 40.70 2dax s ILE 31 CO -0.01 0.14 0.79 -0.69 -0.10 0.00 0.00 174.94 175.07 2dax s VAL 32 N 1.86 5.18 0.02 2.92 1.01 -1.26 -1.66 120.40 128.47 2dax s VAL 32 Ca 0.03 -1.79 -0.26 0.00 0.00 0.00 0.00 61.98 59.96 2dax s VAL 32 Cb -0.14 -4.52 -0.17 0.00 0.00 0.00 0.00 36.38 31.55 2dax s VAL 32 CO -0.07 -1.13 1.35 0.78 0.00 0.00 0.00 175.10 176.04 2dax h ASN 33 N 8.50 -0.30 -0.75 3.32 2.35 -1.94 -3.35 115.58 123.41 2dax h ASN 33 Ca -0.04 -0.17 -0.56 0.00 -0.55 0.00 0.00 56.30 54.99 2dax h ASN 33 Cb 1.06 0.08 -0.07 0.00 0.05 0.00 0.00 38.32 39.44 2dax h ASN 33 CO 0.95 0.02 1.78 -1.81 -1.65 0.00 0.00 177.43 176.72 2dax s ASP 34 N -5.10 6.22 -0.04 5.81 1.11 -0.94 -4.72 116.67 119.00 2dax s ASP 34 Ca -0.15 -2.11 -0.23 0.00 0.18 0.00 0.00 52.55 50.24 2dax s ASP 34 Cb 0.03 -2.58 -0.25 0.00 1.07 0.00 0.00 42.92 41.19 2dax s ASP 34 CO 0.59 -1.82 1.01 1.56 1.18 0.00 0.00 175.17 177.68 2dax h GLN 35 N 8.46 0.23 -0.73 8.23 1.08 -1.87 -3.33 115.11 127.18 2dax h GLN 35 Ca 0.35 -0.28 0.13 0.00 -1.45 0.00 0.00 58.65 57.41 2dax h GLN 35 Cb 0.90 0.08 -0.14 0.00 -0.05 0.00 0.00 27.48 28.28 2dax h GLN 35 CO 1.38 1.02 -0.28 1.25 -0.95 0.00 0.00 178.83 181.25 2dax h LEU 36 N -0.43 -0.99 -0.91 1.46 6.46 -1.95 -0.14 115.31 118.81 2dax h LEU 36 Ca -0.05 0.24 0.15 0.00 -0.12 0.00 0.00 57.88 58.10 2dax h LEU 36 Cb 1.17 0.55 -0.16 0.00 -0.73 0.00 0.00 40.66 41.50 2dax h LEU 36 CO 0.08 -0.28 -0.32 0.00 -0.62 0.00 0.00 178.44 177.30 2dax n ALA 37 N -3.25 -0.01 0.23 1.25 0.00 -1.25 -0.34 120.51 117.13 2dax n ALA 37 Ca 0.08 0.94 -0.15 0.00 0.00 0.00 0.00 53.44 54.31 2dax n ALA 37 Cb 0.38 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 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 0.51 -0.80 0.00 2.07 -1.19 -0.54 116.25 116.30 2dax h VAL 38 Ca 0.35 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.06 2dax h VAL 38 Cb 0.58 0.51 -0.14 0.00 -1.52 0.00 0.00 31.29 30.72 2dax h VAL 38 CO -0.92 0.00 0.05 0.00 0.02 0.00 0.00 177.57 176.73 2dax h ALA 39 N -0.00 0.91 0.09 1.67 0.00 -0.42 -0.77 119.26 120.73 2dax h ALA 39 Ca -0.04 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2dax h ALA 39 Cb 0.49 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dax h ALA 39 CO 0.04 -0.44 -0.04 0.93 0.00 0.00 0.00 179.25 179.74 2dax h GLU 40 N 0.12 -0.12 -0.67 0.00 5.08 -0.86 -3.24 114.58 114.90 2dax h GLU 40 Ca 0.45 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.90 2dax h GLU 40 Cb 0.83 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.00 2dax h GLU 40 CO -0.68 0.18 -0.53 1.25 -1.00 0.00 0.00 179.01 178.24 2dax h LEU 41 N -0.41 -1.83 -1.06 1.33 5.85 0.32 0.43 115.31 119.94 2dax h LEU 41 Ca -0.01 0.28 0.36 0.00 0.84 0.00 0.00 57.88 59.34 2dax h LEU 41 Cb 0.35 0.80 -0.15 0.00 0.37 0.00 0.00 40.66 42.03 2dax h LEU 41 CO 0.02 -0.33 0.60 0.11 -0.34 0.00 0.00 178.44 178.50 2dax h LYS 42 N -0.21 0.21 -0.35 1.25 1.57 -1.37 0.90 116.57 118.58 2dax h LYS 42 Ca 0.14 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 2dax h LYS 42 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2dax h LYS 42 CO -0.75 0.14 -0.39 0.22 -0.57 0.00 0.00 179.45 178.10 2dax h ASP 43 N 0.22 0.89 -0.78 0.86 1.82 -0.21 -1.95 116.42 117.27 2dax h ASP 43 Ca 0.77 -0.41 0.09 0.00 -0.39 0.00 0.00 57.03 57.10 2dax h ASP 43 Cb 1.91 -0.25 -0.07 0.00 0.68 0.00 0.00 39.33 41.60 2dax h ASP 43 CO -0.62 1.17 0.42 0.00 -1.61 0.00 0.00 179.24 178.61 2dax h ILE 45 N 0.71 1.18 -0.38 0.00 2.04 -1.37 -2.20 117.51 117.49 2dax h ILE 45 Ca 0.38 -1.41 0.08 0.00 1.00 0.00 0.00 64.86 64.90 2dax h ILE 45 Cb 0.36 2.03 -0.08 0.00 -0.74 0.00 0.00 36.82 38.40 2dax h ILE 45 CO -0.25 0.32 -0.12 -0.33 0.00 0.00 0.00 178.15 177.77 2dax h GLU 46 N -0.80 -0.04 0.00 2.37 4.39 -1.13 0.46 114.58 119.83 2dax h GLU 46 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2dax h GLU 46 Cb 0.61 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2dax h GLU 46 CO 0.02 -0.02 0.00 1.63 -1.16 0.00 0.00 179.01 179.47 2dax n LYS 47 N -5.32 0.76 -2.55 2.33 4.01 0.64 -4.83 118.16 113.20 2dax n LYS 47 Ca 0.02 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.71 2dax n LYS 47 Cb 0.23 -1.25 -0.02 0.00 -0.51 0.00 0.00 35.03 33.48 2dax n LYS 47 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2dax n LYS 48 N -0.75 -1.81 0.00 1.97 4.76 0.16 -4.56 118.16 117.93 2dax n LYS 48 Ca 0.09 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2dax n LYS 48 Cb 0.04 -3.23 0.00 0.00 -1.84 0.00 0.00 35.03 30.01 2dax n LYS 48 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2dax n THR 49 N -2.22 0.00 -3.81 -0.18 5.66 -1.09 -5.03 114.28 107.61 2dax n THR 49 Ca 0.03 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.78 2dax n THR 49 Cb 0.34 -0.73 -0.04 0.00 -1.55 0.00 0.00 70.33 68.35 2dax n THR 49 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 2dax n MET 50 N -2.11 -0.78 -0.14 1.09 0.00 -0.85 -4.77 117.12 109.55 2dax n MET 50 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 57.70 57.62 2dax n MET 50 Cb 0.46 -2.01 -0.01 0.00 0.00 0.00 0.00 33.22 31.67 2dax n MET 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2dax h GLU 51 N -0.83 -0.21 -0.35 3.17 5.08 -1.96 -3.42 114.58 116.06 2dax h GLU 51 Ca -0.46 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.11 2dax h GLU 51 Cb 0.94 0.05 -0.19 0.00 0.50 0.00 0.00 28.75 30.05 2dax h GLU 51 CO 0.43 -0.14 -0.05 0.20 -1.00 0.00 0.00 179.01 178.45 2dax s GLY 52 N -2.99 -0.95 0.36 -3.84 0.00 -1.26 -5.02 107.32 93.62 2dax s GLY 52 Ca -0.15 2.01 0.12 0.00 0.00 0.00 0.00 44.72 46.70 2dax s GLY 52 CO 0.68 4.05 1.82 3.21 0.00 0.00 0.00 173.10 182.85 2dax h ARG 53 N 7.37 0.58 -5.20 2.90 3.08 -1.97 -3.44 114.38 117.70 2dax h ARG 53 Ca -0.08 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 2dax h ARG 53 Cb 1.18 -0.13 -0.09 0.00 0.08 0.00 0.00 29.97 31.00 2dax h ARG 53 CO -0.07 0.38 -0.22 0.43 -1.07 0.00 0.00 179.97 179.43 2dax n SER 54 N -4.63 -1.10 -3.42 7.04 7.64 -1.26 -4.83 113.62 113.06 2dax n SER 54 Ca 0.21 0.03 -0.16 0.00 1.01 0.00 0.00 58.87 59.97 2dax n SER 54 Cb 0.64 -1.05 -0.11 0.00 -1.01 0.00 0.00 64.21 62.68 2dax n SER 54 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dax s SER 55 N -2.13 1.21 -0.43 6.43 1.04 -1.26 -5.08 113.70 113.47 2dax s SER 55 Ca 0.20 -0.31 -0.29 0.00 0.48 0.00 0.00 55.95 56.03 2dax s SER 55 Cb -0.12 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.63 2dax s SER 55 CO 0.25 -0.34 1.23 -0.54 0.98 0.00 0.00 173.24 174.82 2dax s LYS 56 N 2.39 3.72 -0.65 4.02 1.02 -1.26 -4.86 119.74 124.12 2dax s LYS 56 Ca 0.09 0.78 -0.26 0.00 0.02 0.00 0.00 55.97 56.60 2dax s LYS 56 Cb -0.15 -3.93 -0.12 0.00 -0.52 0.00 0.00 37.83 33.11 2dax s LYS 56 CO -0.21 -1.38 2.45 0.28 -0.92 0.00 0.00 175.35 175.57 2dax n VAL 57 N 6.79 -0.05 -3.60 3.17 0.31 -1.21 -4.83 118.33 118.92 2dax n VAL 57 Ca 0.14 -0.61 -0.38 0.00 -0.01 0.00 0.00 64.34 63.48 2dax n VAL 57 Cb 0.48 -2.17 -0.11 0.00 -0.91 0.00 0.00 33.84 31.13 2dax n VAL 57 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2dax s TYR 58 N 11.70 3.23 -0.18 3.52 5.04 -1.26 -2.20 117.35 137.19 2dax s TYR 58 Ca 1.05 0.12 -0.06 0.00 -2.44 0.00 0.00 57.07 55.73 2dax s TYR 58 Cb -0.36 -2.37 0.08 0.00 0.35 0.00 0.00 41.96 39.66 2dax s TYR 58 CO 0.28 -0.14 0.38 -0.59 -1.34 0.00 0.00 175.55 174.13 2dax s PHE 59 N 1.69 -0.69 0.17 4.97 -0.71 -0.96 -2.22 117.98 120.22 2dax s PHE 59 Ca 0.07 1.37 -0.14 0.00 -1.04 0.00 0.00 56.93 57.19 2dax s PHE 59 Cb -0.16 0.21 -0.07 0.00 -1.21 0.00 0.00 43.02 41.79 2dax s PHE 59 CO 0.10 -0.45 0.56 0.99 -1.34 0.00 0.00 175.22 175.09 2dax s THR 60 N 2.56 4.85 -0.12 -4.49 2.01 -0.67 -2.71 115.64 117.07 2dax s THR 60 Ca -0.01 0.81 0.03 0.00 0.31 0.00 0.00 61.69 62.83 2dax s THR 60 Cb -0.12 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2dax s THR 60 CO -0.12 0.19 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.15 2dax s ILE 61 N -1.52 2.06 -0.26 1.82 1.01 -0.90 -1.30 121.20 122.11 2dax s ILE 61 Ca 0.40 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 2dax s ILE 61 Cb -0.14 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 2dax s ILE 61 CO 0.19 0.55 0.11 0.20 0.00 0.00 0.00 174.94 175.99 2dax s ASN 62 N 0.59 5.42 -0.22 3.58 0.01 0.17 -0.69 114.94 123.80 2dax s ASN 62 Ca -0.13 -0.14 0.01 0.00 -0.71 0.00 0.00 52.86 51.90 2dax s ASN 62 Cb -0.17 -1.98 0.05 0.00 0.41 0.00 0.00 41.25 39.56 2dax s ASN 62 CO 0.03 -0.03 -0.10 -0.04 -1.51 0.00 0.00 177.10 175.45 2dax s MET 63 N 1.60 2.05 -0.09 -0.60 -1.94 -1.10 -4.43 119.30 114.79 2dax s MET 63 Ca 0.06 -0.98 -0.25 0.00 -1.71 0.00 0.00 55.69 52.81 2dax s MET 63 Cb -0.15 -2.56 -0.03 0.00 2.01 0.00 0.00 34.83 34.10 2dax s MET 63 CO 0.06 -0.48 0.79 1.21 -0.01 0.00 0.00 175.02 176.58 2dax s ASN 64 N 1.33 7.03 -0.02 3.03 3.84 -1.26 -2.51 114.94 126.39 2dax s ASN 64 Ca -0.03 1.25 -0.07 0.00 0.21 0.00 0.00 52.86 54.22 2dax s ASN 64 Cb -0.17 -2.45 0.01 0.00 -0.55 0.00 0.00 41.25 38.08 2dax s ASN 64 CO -0.07 -0.23 0.15 -0.76 -2.79 0.00 0.00 177.10 173.39 2dax s LEU 65 N 1.29 1.49 0.22 3.21 1.43 -0.95 -4.99 118.68 120.39 2dax s LEU 65 Ca 0.40 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 2dax s LEU 65 Cb -0.18 0.66 -0.08 0.00 0.03 0.00 0.00 46.19 46.61 2dax s LEU 65 CO 0.18 -0.29 1.08 1.51 0.23 0.00 0.00 176.35 179.06 2dax s ASP 66 N -0.99 7.32 -0.05 2.29 -4.77 -1.26 -1.49 116.67 117.71 2dax s ASP 66 Ca -0.11 2.14 -0.02 0.00 -3.30 0.00 0.00 52.55 51.26 2dax s ASP 66 Cb -0.06 -2.61 -0.02 0.00 -1.09 0.00 0.00 42.92 39.13 2dax s ASP 66 CO 0.01 -0.14 -0.06 1.33 0.70 0.00 0.00 175.17 177.01 2dax n VAL 67 N 1.82 0.28 -3.95 2.11 0.24 -1.06 -4.88 118.33 112.88 2dax n VAL 67 Ca 0.01 -0.08 0.01 0.00 -2.04 0.00 0.00 64.34 62.24 2dax n VAL 67 Cb 0.46 -1.34 0.01 0.00 -1.47 0.00 0.00 33.84 31.50 2dax n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2dax n SER 68 N -3.08 -1.25 -4.09 -1.34 3.41 -1.25 -5.02 113.62 101.01 2dax n SER 68 Ca -0.10 -1.42 -0.33 0.00 -0.26 0.00 0.00 58.87 56.77 2dax n SER 68 Cb 0.58 1.97 -0.04 0.00 -0.26 0.00 0.00 64.21 66.46 2dax n SER 68 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dax n ASP 69 N -1.07 -1.12 -2.58 4.04 -0.08 -1.26 0.25 116.55 114.74 2dax n ASP 69 Ca 0.02 -1.17 -0.10 0.00 -1.51 0.00 0.00 54.79 52.03 2dax n ASP 69 Cb 0.53 -2.24 -0.02 0.00 2.34 0.00 0.00 41.12 41.73 2dax n ASP 69 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2dax n GLU 70 N -4.59 -2.02 -4.68 -0.67 2.13 -1.26 -4.83 120.64 104.72 2dax n GLU 70 Ca -0.26 0.03 -0.30 0.00 0.66 0.00 0.00 57.16 57.29 2dax n GLU 70 Cb 0.66 -3.53 -0.08 0.00 0.27 0.00 0.00 31.44 28.76 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 -4.44 2.10 0.05 5.31 1.02 0.14 -5.09 119.74 118.84 2dax s LYS 71 Ca 0.19 -2.32 -0.10 0.00 0.02 0.00 0.00 55.97 53.77 2dax s LYS 71 Cb -0.11 -1.27 0.00 0.00 -0.52 0.00 0.00 37.83 35.93 2dax s LYS 71 CO 0.24 -0.37 0.21 0.00 -0.92 0.00 0.00 175.35 174.50 2dax s MET 72 N -3.82 0.75 0.22 1.68 0.23 -1.26 -2.57 119.30 114.54 2dax s MET 72 Ca 0.13 -0.71 0.07 0.00 -1.03 0.00 0.00 55.69 54.15 2dax s MET 72 Cb 0.02 0.31 -0.05 0.00 -1.53 0.00 0.00 34.83 33.59 2dax s MET 72 CO 0.07 -0.23 -0.11 0.00 -2.03 0.00 0.00 175.02 172.72 2dax s ALA 73 N -2.95 2.04 -0.18 3.16 0.00 -0.56 -4.93 121.76 118.34 2dax s ALA 73 Ca -0.02 -1.71 -0.08 0.00 0.00 0.00 0.00 51.96 50.14 2dax s ALA 73 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2dax s ALA 73 CO -0.06 -0.00 0.10 1.41 0.00 0.00 0.00 175.76 177.21 2dax s MET 74 N -3.69 4.00 -0.33 0.00 1.75 -1.26 -2.25 119.30 117.52 2dax s MET 74 Ca 0.24 -0.27 -0.04 0.00 -1.25 0.00 0.00 55.69 54.37 2dax s MET 74 Cb 0.01 -3.30 0.05 0.00 2.84 0.00 0.00 34.83 34.44 2dax s MET 74 CO 0.08 0.35 0.07 -0.06 -0.65 0.00 0.00 175.02 174.80 2dax s PHE 75 N 0.20 3.29 -0.25 4.11 0.40 -1.04 -4.66 117.98 120.02 2dax s PHE 75 Ca 0.07 -1.69 -0.25 0.00 -0.60 0.00 0.00 56.93 54.46 2dax s PHE 75 Cb -0.12 -2.29 -0.00 0.00 0.51 0.00 0.00 43.02 41.12 2dax s PHE 75 CO -0.00 -0.78 0.85 -1.54 0.70 0.00 0.00 175.22 174.44 2dax s SER 76 N 1.39 6.84 -0.63 1.36 1.04 -0.94 -2.70 113.70 120.05 2dax s SER 76 Ca -0.02 1.01 -0.07 0.00 0.48 0.00 0.00 55.95 57.35 2dax s SER 76 Cb -0.20 -2.45 0.16 0.00 0.10 0.00 0.00 66.02 63.64 2dax s SER 76 CO 0.01 -0.56 0.50 -0.76 0.98 0.00 0.00 173.24 173.40 2dax s LEU 77 N 2.93 5.76 -0.72 2.42 1.02 0.13 -1.18 118.68 129.04 2dax s LEU 77 Ca 0.36 -2.56 -0.26 0.00 0.02 0.00 0.00 54.13 51.69 2dax s LEU 77 Cb -0.15 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.06 2dax s LEU 77 CO 0.08 -0.51 1.77 0.00 0.02 0.00 0.00 176.35 177.71 2dax s ALA 78 N 0.38 2.17 -0.02 4.21 0.00 0.21 -2.11 121.76 126.61 2dax s ALA 78 Ca 0.14 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 50.94 2dax s ALA 78 Cb -0.19 -4.37 -0.05 0.00 0.00 0.00 0.00 23.12 18.51 2dax s ALA 78 CO -0.04 -4.00 0.29 0.00 0.00 0.00 0.00 175.76 172.01 2dax s ILE 80 N -1.17 0.07 -0.45 0.00 1.01 -1.22 -2.25 121.20 117.19 2dax s ILE 80 Ca 0.24 0.07 -0.23 0.00 0.00 0.00 0.00 60.65 60.72 2dax s ILE 80 Cb -0.14 -0.46 0.03 0.00 0.01 0.00 0.00 42.46 41.89 2dax s ILE 80 CO 0.12 0.01 0.79 -0.76 0.00 0.00 0.00 174.94 175.10 2dax s LEU 81 N 2.08 4.25 0.00 2.97 1.43 -0.93 -2.21 118.68 126.26 2dax s LEU 81 Ca 0.03 -0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 2dax s LEU 81 Cb -0.14 -2.97 0.15 0.00 0.03 0.00 0.00 46.19 43.26 2dax s LEU 81 CO -0.06 -0.92 0.54 -0.81 0.23 0.00 0.00 176.35 175.33 2dax n PRO 82 N 6.73 -2.08 -0.86 1.29 -0.04 -1.26 -3.28 135.00 135.50 2dax n PRO 82 Ca 0.02 -0.86 -0.09 0.00 -0.04 0.00 0.00 63.50 62.53 2dax n PRO 82 Cb 0.48 -0.81 0.21 0.00 -0.04 0.00 0.00 33.50 33.35 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 -3.68 2.11 0.00 0.54 3.72 -1.26 -4.15 117.46 114.74 2dax n PHE 83 Ca 0.07 -1.16 0.00 0.00 -0.05 0.00 0.00 57.45 56.31 2dax n PHE 83 Cb 0.29 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 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 -0.28 0.00 -0.78 -1.08 5.02 -1.26 -5.06 118.16 114.73 2dax n LYS 84 Ca 0.37 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.40 2dax n LYS 84 Cb 1.26 -0.83 -0.02 0.00 -0.02 0.00 0.00 35.03 35.42 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 -2.57 -0.34 0.51 2.13 9.36 -1.24 -0.74 117.16 124.25 2dax n TYR 85 Ca 0.00 0.53 0.07 0.00 3.32 0.00 0.00 57.90 61.81 2dax n TYR 85 Cb 0.46 -1.08 0.31 0.00 -0.63 0.00 0.00 39.34 38.40 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 0.02 0.00 2.98 -0.04 -1.26 -4.79 135.00 132.49 2dax n PRO 86 Ca 0.10 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 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 -1.48 0.00 -2.93 0.55 0.00 0.08 -4.13 120.51 112.60 2dax n ALA 87 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 2dax n ALA 87 Cb 0.16 0.23 -0.11 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.18 4.34 0.85 0.00 -7.23 -1.26 -4.64 120.40 110.28 2dax s VAL 88 Ca 0.00 -0.19 -0.15 0.00 -1.81 0.00 0.00 61.98 59.84 2dax s VAL 88 Cb 0.00 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 2dax s VAL 88 CO 0.00 0.44 0.34 0.18 -0.31 0.00 0.00 175.10 175.75 2dax n LEU 89 N 3.88 -0.37 -4.64 1.32 4.32 -1.26 -3.73 117.00 116.52 2dax n LEU 89 Ca -0.17 0.44 -0.29 0.00 -0.02 0.00 0.00 56.01 55.97 2dax n LEU 89 Cb 0.52 -1.16 0.20 0.00 -1.62 0.00 0.00 43.42 41.36 2dax n LEU 89 CO 0.33 -3.65 0.63 -2.16 -1.22 0.00 0.00 177.39 171.32 2dax s PRO 90 N -3.06 -0.26 -0.87 3.23 0.04 -1.26 -4.86 135.00 127.97 2dax s PRO 90 Ca 0.59 0.27 -0.00 0.00 0.04 0.00 0.00 61.00 61.90 2dax s PRO 90 Cb -0.27 -1.68 0.23 0.00 0.04 0.00 0.00 34.50 32.82 2dax s PRO 90 CO 0.65 -3.14 0.82 0.39 0.04 0.00 0.00 177.00 175.75 2dax n GLU 91 N -4.42 2.72 -2.94 4.56 -0.58 -0.94 -4.92 120.64 114.12 2dax n GLU 91 Ca 0.08 -4.52 -0.40 0.00 -0.42 0.00 0.00 57.16 51.91 2dax n GLU 91 Cb 0.58 -2.39 -0.06 0.00 -0.57 0.00 0.00 31.44 29.01 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 -1.67 4.45 -0.15 -3.67 1.01 -1.25 -3.39 121.20 116.53 2dax s ILE 92 Ca 0.29 1.76 -0.02 0.00 0.00 0.00 0.00 60.65 62.68 2dax s ILE 92 Cb -0.03 -4.17 0.05 0.00 0.01 0.00 0.00 42.46 38.32 2dax s ILE 92 CO -0.10 0.46 -0.00 -0.89 0.00 0.00 0.00 174.94 174.41 2dax s THR 93 N -0.75 0.71 -0.00 2.92 2.01 -0.31 -4.90 115.64 115.31 2dax s THR 93 Ca 0.38 -0.42 -0.20 0.00 0.31 0.00 0.00 61.69 61.76 2dax s THR 93 Cb -0.23 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 2dax s THR 93 CO 0.26 0.03 0.58 -0.69 -0.69 0.00 0.00 174.62 174.11 2dax s VAL 94 N 1.80 4.91 0.01 3.82 1.01 -1.25 -0.62 120.40 130.09 2dax s VAL 94 Ca 0.01 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.24 2dax s VAL 94 Cb -0.15 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2dax s VAL 94 CO -0.07 0.43 -0.08 -0.13 0.00 0.00 0.00 175.10 175.24 2dax s ARG 95 N -0.23 0.60 -0.27 2.72 1.81 -0.32 -4.90 118.95 118.37 2dax s ARG 95 Ca 0.30 -0.44 -0.13 0.00 -1.72 0.00 0.00 55.73 53.75 2dax s ARG 95 Cb -0.18 -0.54 0.09 0.00 -0.45 0.00 0.00 34.95 33.87 2dax s ARG 95 CO 0.17 0.14 0.63 0.45 -0.68 0.00 0.00 175.30 176.01 2dax s SER 96 N -0.63 -0.93 0.29 0.23 0.15 -1.26 -2.22 113.70 109.33 2dax s SER 96 Ca -0.00 1.44 0.24 0.00 0.70 0.00 0.00 55.95 58.32 2dax s SER 96 Cb -0.05 1.62 1.06 0.00 -1.71 0.00 0.00 66.02 66.94 2dax s SER 96 CO 0.00 -0.23 1.71 1.33 1.20 0.00 0.00 173.24 177.25 2dax n VAL 97 N 4.74 0.87 0.06 4.45 0.24 -1.26 -1.91 118.33 125.52 2dax n VAL 97 Ca -0.17 0.37 -0.03 0.00 -2.04 0.00 0.00 64.34 62.47 2dax n VAL 97 Cb 0.55 -1.33 -0.08 0.00 -1.47 0.00 0.00 33.84 31.51 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 0.00 0.00 1.34 -0.00 -1.95 -3.47 115.31 111.24 2dax h LEU 98 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.51 2dax h LEU 98 Cb 0.27 0.00 0.16 0.00 -0.00 0.00 0.00 40.66 41.09 2dax h LEU 98 CO 0.00 0.78 0.28 0.18 -0.00 0.00 0.00 178.44 179.68 2dax n LEU 99 N -3.15 0.00 -4.26 1.67 4.77 -0.80 -4.77 117.00 110.45 2dax n LEU 99 Ca -0.05 -1.19 -0.27 0.00 -0.03 0.00 0.00 56.01 54.47 2dax n LEU 99 Cb 0.89 -0.89 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2dax n LEU 99 CO 0.44 -1.57 -0.53 -0.55 -1.33 0.00 0.00 177.39 173.85 2dax s SER 100 N -4.86 2.58 0.30 -1.43 0.15 -1.26 -4.92 113.70 104.26 2dax s SER 100 Ca 0.65 -0.50 0.18 0.00 0.70 0.00 0.00 55.95 56.98 2dax s SER 100 Cb -0.03 -0.23 1.09 0.00 -1.71 0.00 0.00 66.02 65.14 2dax s SER 100 CO 0.47 0.20 1.26 0.54 1.20 0.00 0.00 173.24 176.90 2dax n ARG 101 N 1.99 -0.04 0.13 5.44 3.00 -1.26 -0.01 116.66 125.90 2dax n ARG 101 Ca -0.17 1.08 -0.06 0.00 -0.01 0.00 0.00 57.85 58.70 2dax n ARG 101 Cb 0.53 -1.97 -0.03 0.00 0.00 0.00 0.00 32.46 30.99 2dax n ARG 101 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2dax h SER 102 N 0.00 -0.33 0.10 0.55 0.02 -2.00 -3.09 113.55 108.79 2dax h SER 102 Ca 0.68 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.66 2dax h SER 102 Cb 1.86 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 64.44 2dax h SER 102 CO -0.58 0.06 -0.51 1.56 -1.14 0.00 0.00 176.83 176.23 2dax h GLN 103 N -0.99 -0.70 -0.85 3.45 4.20 -1.04 -2.38 115.11 116.80 2dax h GLN 103 Ca -0.04 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.79 2dax h GLN 103 Cb 0.30 0.16 -0.10 0.00 0.30 0.00 0.00 27.48 28.14 2dax h GLN 103 CO 0.07 -0.46 -0.52 0.37 -0.67 0.00 0.00 178.83 177.61 2dax h GLN 104 N -0.72 -0.03 -0.42 1.46 5.75 -0.59 -0.60 115.11 119.96 2dax h GLN 104 Ca 0.00 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 2dax h GLN 104 Cb 0.74 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.22 2dax h GLN 104 CO -0.29 -0.02 -0.51 1.15 -2.65 0.00 0.00 178.83 176.51 2dax h THR 105 N -0.03 0.00 -0.72 2.39 2.02 -1.40 -0.54 112.91 114.62 2dax h THR 105 Ca 0.14 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.46 2dax h THR 105 Cb 0.38 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.65 2dax h THR 105 CO -0.81 0.00 -0.18 -0.61 0.37 0.00 0.00 175.52 174.28 2dax h GLN 106 N -0.33 -0.00 -0.26 6.66 5.75 -0.71 0.20 115.11 126.42 2dax h GLN 106 Ca 0.07 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.64 2dax h GLN 106 Cb 0.52 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.01 2dax h GLN 106 CO -0.57 -0.00 -0.18 1.25 -2.65 0.00 0.00 178.83 176.68 2dax h LEU 107 N -0.00 -0.59 0.35 -2.39 6.46 0.31 -1.75 115.31 117.70 2dax h LEU 107 Ca 0.35 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 58.22 2dax h LEU 107 Cb 0.53 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 2dax h LEU 107 CO -0.75 -0.22 -0.31 0.78 -0.62 0.00 0.00 178.44 177.33 2dax h ASN 108 N -0.16 -0.83 -0.98 1.25 2.35 0.07 0.18 115.58 117.46 2dax h ASN 108 Ca 0.14 0.06 0.24 0.00 -0.55 0.00 0.00 56.30 56.19 2dax h ASN 108 Cb 0.38 0.26 -0.19 0.00 0.05 0.00 0.00 38.32 38.83 2dax h ASN 108 CO -0.36 -0.42 -0.10 0.41 -1.65 0.00 0.00 177.43 175.31 2dax n THR 109 N -4.24 -0.41 0.22 2.81 -1.04 -0.49 -0.66 114.28 110.47 2dax n THR 109 Ca -0.08 2.21 -0.14 0.00 -2.04 0.00 0.00 64.05 64.00 2dax n THR 109 Cb 0.29 -3.14 -0.08 0.00 -1.82 0.00 0.00 70.33 65.58 2dax n THR 109 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2dax h ASP 110 N 0.00 -0.48 -0.72 8.00 3.32 -1.02 -3.00 116.42 122.52 2dax h ASP 110 Ca 0.54 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.57 2dax h ASP 110 Cb 0.99 0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.56 2dax h ASP 110 CO -0.97 -0.14 -0.35 -0.11 -1.72 0.00 0.00 179.24 175.96 2dax n LEU 111 N -5.22 -0.61 -0.01 1.55 7.94 0.60 0.76 117.00 122.01 2dax n LEU 111 Ca -0.10 1.28 -0.09 0.00 -1.11 0.00 0.00 56.01 55.98 2dax n LEU 111 Cb 0.29 -0.23 -0.03 0.00 0.53 0.00 0.00 43.42 43.98 2dax n LEU 111 CO 0.31 -1.10 0.80 0.74 -1.11 0.00 0.00 177.39 177.03 2dax h THR 112 N 0.00 0.72 -0.11 1.96 2.02 -1.46 -2.89 112.91 113.15 2dax h THR 112 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 2dax h THR 112 Cb 0.37 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 2dax h THR 112 CO -0.70 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 174.77 2dax h ALA 113 N 1.01 -0.60 -0.72 6.16 0.00 0.49 -1.48 119.26 124.11 2dax h ALA 113 Ca 0.08 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.16 2dax h ALA 113 Cb 0.22 0.77 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 2dax h ALA 113 CO -0.19 -0.93 -0.04 0.34 0.00 0.00 0.00 179.25 178.43 2dax n PHE 114 N -5.44 0.40 0.10 0.00 7.35 -0.13 0.27 117.46 120.02 2dax n PHE 114 Ca -0.04 0.87 -0.12 0.00 -0.76 0.00 0.00 57.45 57.40 2dax n PHE 114 Cb 0.36 -1.01 -0.08 0.00 0.35 0.00 0.00 39.48 39.11 2dax n PHE 114 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dax h LEU 115 N 0.00 -0.27 -1.30 -2.13 3.38 -1.31 -2.81 115.31 110.87 2dax h LEU 115 Ca 0.41 -0.26 0.11 0.00 0.09 0.00 0.00 57.88 58.23 2dax h LEU 115 Cb 0.79 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2dax h LEU 115 CO -0.70 0.21 0.74 1.56 0.09 0.00 0.00 178.44 180.35 2dax h GLN 116 N -0.84 0.00 0.00 1.13 4.20 0.63 0.66 115.11 120.90 2dax h GLN 116 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2dax h GLN 116 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2dax h GLN 116 CO 0.05 0.00 -0.04 -0.22 -0.67 0.00 0.00 178.83 177.95 2dax h LYS 117 N 0.00 0.00 0.00 1.46 1.63 -0.87 -3.44 116.57 115.36 2dax h LYS 117 Ca 0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 2dax h LYS 117 Cb 1.67 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.30 2dax h LYS 117 CO -0.00 0.00 -0.34 0.45 -3.45 0.00 0.00 179.45 176.11 2dax h HIS 118 N -0.46 0.00 -2.11 1.91 3.86 -1.06 -3.43 115.15 113.86 2dax h HIS 118 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2dax h HIS 118 Cb 0.04 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.44 2dax h HIS 118 CO -0.02 0.00 1.16 0.00 0.86 0.00 0.00 177.93 179.93 2dax s HIS 120 N 6.51 -0.02 -0.52 0.00 5.04 -1.25 -3.34 115.29 121.70 2dax s HIS 120 Ca 0.44 0.34 0.00 0.00 -1.54 0.00 0.00 55.06 54.30 2dax s HIS 120 Cb -0.08 -0.35 0.00 0.00 0.04 0.00 0.00 32.58 32.19 2dax s HIS 120 CO 0.13 -0.19 0.00 0.41 -2.34 0.00 0.00 174.74 172.75 2dax n GLY 121 N 5.00 0.22 2.11 1.59 0.00 -1.26 -5.02 105.19 107.83 2dax n GLY 121 Ca -0.10 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 0.89 -0.62 -4.04 1.61 8.00 -1.26 -4.89 116.55 116.25 2dax n ASP 122 Ca -0.07 -2.34 -0.33 0.00 0.71 0.00 0.00 54.79 52.76 2dax n ASP 122 Cb 0.51 1.30 -0.13 0.00 -0.02 0.00 0.00 41.12 42.77 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 -2.80 2.94 -0.24 2.53 -7.23 -1.26 -4.63 120.40 109.71 2dax s VAL 123 Ca 0.23 -2.76 -0.04 0.00 -1.81 0.00 0.00 61.98 57.60 2dax s VAL 123 Cb 0.01 -3.02 0.09 0.00 0.56 0.00 0.00 36.38 34.02 2dax s VAL 123 CO 0.16 -0.75 0.17 0.00 -0.31 0.00 0.00 175.10 174.37 2dax n ILE 125 N 5.29 1.52 -0.33 0.00 2.08 -1.26 -4.50 119.36 122.15 2dax n ILE 125 Ca -0.05 -0.16 -0.05 0.00 0.56 0.00 0.00 62.75 63.05 2dax n ILE 125 Cb 0.46 -2.03 -0.01 0.00 -0.75 0.00 0.00 39.64 37.32 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 -1.55 -0.88 1.39 3.38 -2.00 0.29 115.31 114.94 2dax h LEU 126 Ca -0.45 0.29 0.26 0.00 0.09 0.00 0.00 57.88 58.07 2dax h LEU 126 Cb 1.35 0.76 -0.16 0.00 0.09 0.00 0.00 40.66 42.70 2dax h LEU 126 CO -0.27 -0.29 0.07 0.59 0.09 0.00 0.00 178.44 178.63 2dax n ASN 127 N -5.41 -0.06 0.45 -0.43 4.13 -1.26 -0.42 115.26 112.26 2dax n ASN 127 Ca 0.06 1.49 -0.18 0.00 1.68 0.00 0.00 54.58 57.63 2dax n ASN 127 Cb 0.36 -0.56 -0.08 0.00 -1.54 0.00 0.00 39.78 37.95 2dax n ASN 127 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dax h ALA 128 N 1.75 -1.24 -0.95 5.41 0.00 -0.65 -1.75 119.26 121.83 2dax h ALA 128 Ca 0.56 -0.25 0.28 0.00 0.00 0.00 0.00 54.91 55.49 2dax h ALA 128 Cb 1.20 0.45 -0.14 0.00 0.00 0.00 0.00 17.79 19.29 2dax h ALA 128 CO -0.81 -1.15 0.44 1.79 0.00 0.00 0.00 179.25 179.52 2dax h THR 129 N -1.22 0.33 0.65 0.00 1.35 -0.55 -0.73 112.91 112.74 2dax h THR 129 Ca -0.12 -0.10 -0.03 0.00 -0.55 0.00 0.00 66.41 65.61 2dax h THR 129 Cb 0.88 -0.00 0.01 0.00 -1.73 0.00 0.00 68.15 67.31 2dax h THR 129 CO 0.19 0.06 -0.31 -0.33 -0.25 0.00 0.00 175.52 174.88 2dax h GLU 130 N 0.30 -0.84 0.00 4.72 5.08 -0.98 -0.52 114.58 122.33 2dax h GLU 130 Ca 0.65 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 2dax h GLU 130 Cb 1.41 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.85 2dax h GLU 130 CO -0.61 -0.53 0.32 2.35 -1.00 0.00 0.00 179.01 179.54 2dax h TRP 131 N -1.03 0.00 0.05 4.33 7.01 -0.24 -0.04 115.95 126.03 2dax h TRP 131 Ca -0.09 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 60.61 2dax h TRP 131 Cb 0.71 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.74 2dax h TRP 131 CO -0.01 0.00 -1.63 0.28 -2.79 0.00 0.00 178.44 174.30 2dax n VAL 132 N -2.34 1.63 0.26 2.65 0.31 -0.69 -2.90 118.33 117.25 2dax n VAL 132 Ca -0.01 -0.29 0.17 0.00 -0.01 0.00 0.00 64.34 64.20 2dax n VAL 132 Cb 0.35 -1.91 0.92 0.00 -0.91 0.00 0.00 33.84 32.28 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 -0.59 0.00 0.02 5.55 -0.00 0.61 0.58 114.38 120.55 2dax h ARG 133 Ca -0.40 0.00 -0.35 0.00 -0.00 0.00 0.00 59.98 59.23 2dax h ARG 133 Cb 1.60 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.52 2dax h ARG 133 CO -0.11 0.00 -1.94 -0.85 -0.00 0.00 0.00 179.97 177.07 2dax n GLU 134 N -2.70 0.61 0.03 0.08 0.28 -0.91 -4.35 120.64 113.68 2dax n GLU 134 Ca -0.02 0.37 -0.12 0.00 -0.16 0.00 0.00 57.16 57.24 2dax n GLU 134 Cb 0.09 -1.63 -0.09 0.00 1.43 0.00 0.00 31.44 31.24 2dax n GLU 134 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2dax h HIS 135 N -0.71 -0.14 -0.31 -1.84 3.86 -1.31 -3.34 115.15 111.35 2dax h HIS 135 Ca -0.51 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.73 2dax h HIS 135 Cb 1.59 0.05 -0.04 0.00 1.06 0.00 0.00 27.41 30.07 2dax h HIS 135 CO 0.03 0.35 -0.18 0.00 0.86 0.00 0.00 177.93 178.98 2dax n ALA 136 N -2.52 -0.20 -0.32 2.45 0.00 0.20 0.12 120.51 120.24 2dax n ALA 136 Ca -0.08 0.27 0.16 0.00 0.00 0.00 0.00 53.44 53.79 2dax n ALA 136 Cb 0.28 0.15 0.32 0.00 0.00 0.00 0.00 19.45 20.20 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 -3.67 -0.05 -0.24 0.00 3.41 -1.26 0.12 113.62 111.93 2dax n SER 137 Ca 0.01 1.61 -0.07 0.00 -0.26 0.00 0.00 58.87 60.16 2dax n SER 137 Cb 0.08 -0.61 0.04 0.00 -0.26 0.00 0.00 64.21 63.46 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 1.06 0.97 5.00 0.00 0.84 -3.02 103.07 107.91 2dax h GLY 138 Ca 0.61 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 2dax h GLY 138 CO -0.87 0.52 0.11 -0.97 0.00 0.00 0.00 176.54 175.33 2dax h TYR 139 N 0.94 0.25 -2.19 5.60 0.05 0.18 -3.41 116.97 118.38 2dax h TYR 139 Ca 0.23 -0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.43 2dax h TYR 139 Cb 0.16 -0.08 0.02 0.00 1.01 0.00 0.00 36.73 37.84 2dax h TYR 139 CO 0.01 0.20 1.17 0.28 -1.05 0.00 0.00 178.16 178.77 2dax n VAL 140 N -4.93 0.69 -3.67 -2.88 0.31 -0.55 -4.95 118.33 102.34 2dax n VAL 140 Ca -0.04 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 2dax n VAL 140 Cb 0.05 -2.11 -0.08 0.00 -0.91 0.00 0.00 33.84 30.79 2dax n VAL 140 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2dax s SER 141 N 4.30 -0.62 0.09 4.52 0.15 -1.26 -4.95 113.70 115.93 2dax s SER 141 Ca 0.91 1.18 0.05 0.00 0.70 0.00 0.00 55.95 58.79 2dax s SER 141 Cb -0.56 1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 2dax s SER 141 CO 0.47 -0.20 -0.01 -0.60 1.20 0.00 0.00 173.24 174.10 2dax s ARG 142 N 0.41 2.52 -0.19 5.44 3.52 -1.26 -5.04 118.95 124.34 2dax s ARG 142 Ca -0.01 -0.85 -0.15 0.00 -0.13 0.00 0.00 55.73 54.59 2dax s ARG 142 Cb -0.04 -2.52 -0.07 0.00 -1.56 0.00 0.00 34.95 30.75 2dax s ARG 142 CO -0.01 0.54 -0.33 -0.25 -0.81 0.00 0.00 175.30 174.45 2dax n ASP 143 N 0.57 1.85 -4.80 -2.12 9.92 -1.26 -5.01 116.55 115.70 2dax n ASP 143 Ca -0.11 0.31 -0.31 0.00 -0.53 0.00 0.00 54.79 54.16 2dax n ASP 143 Cb 0.52 -0.72 0.07 0.00 -0.64 0.00 0.00 41.12 40.34 2dax n ASP 143 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2dax s THR 144 N -2.71 3.70 0.00 -3.53 -1.32 -1.26 -5.00 115.64 105.52 2dax s THR 144 Ca -0.30 0.55 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 2dax s THR 144 Cb 0.07 -3.18 0.00 0.00 -1.51 0.00 0.00 72.50 67.88 2dax s THR 144 CO 0.41 -0.72 0.00 -0.24 -2.21 0.00 0.00 174.62 171.86 2dax n SER 145 N -3.31 0.09 -4.17 8.08 2.88 -1.26 -5.08 113.62 110.85 2dax n SER 145 Ca 0.08 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.38 2dax n SER 145 Cb 0.53 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.84 2dax n SER 145 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dax s SER 146 N -4.96 2.06 -0.24 -3.46 0.15 -1.26 -5.05 113.70 100.94 2dax s SER 146 Ca 0.00 -0.33 -0.10 0.00 0.70 0.00 0.00 55.95 56.21 2dax s SER 146 Cb 0.00 -0.22 -0.11 0.00 -1.71 0.00 0.00 66.02 63.98 2dax s SER 146 CO 0.00 0.21 -0.30 -1.20 1.20 0.00 0.00 173.24 173.15 2dax n SER 147 N 2.57 1.77 -0.96 5.45 7.64 -1.26 -5.13 113.62 123.70 2dax n SER 147 Ca -0.15 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2dax n SER 147 Cb 0.54 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2dax n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dax n GLY 148 N 1.61 -3.74 3.72 0.23 0.00 -1.26 -4.96 105.19 100.80 2dax n GLY 148 Ca -0.46 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 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 -4.75 1.39 -0.49 1.61 0.04 -1.26 -5.03 135.00 126.51 2dax s PRO 149 Ca 0.00 0.87 0.04 0.00 0.04 0.00 0.00 61.00 61.95 2dax s PRO 149 Cb 0.00 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.84 2dax s PRO 149 CO 0.00 -2.16 0.22 0.45 0.04 0.00 0.00 177.00 175.55 2dax s SER 150 N -3.42 4.43 0.00 6.66 0.15 -1.26 -4.95 113.70 115.31 2dax s SER 150 Ca 0.63 -2.85 -0.23 0.00 0.70 0.00 0.00 55.95 54.21 2dax s SER 150 Cb -0.18 -1.64 -0.18 0.00 -1.71 0.00 0.00 66.02 62.31 2dax s SER 150 CO 0.57 -0.26 1.26 -1.28 1.20 0.00 0.00 173.24 174.72 2dax h SER 151 N 6.73 0.24 0.00 5.45 0.87 -2.04 -3.58 113.55 121.22 2dax h SER 151 Ca -0.07 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 2dax h SER 151 Cb 0.92 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2dax h SER 151 CO 0.66 0.74 0.00 0.61 -0.53 0.00 0.00 176.83 178.31