#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 0.45 -0.23 1.61 1.04 -1.26 -5.13 113.70 110.18 2dax s SER 2 Ca 0.00 -1.27 -0.29 0.00 0.48 0.00 0.00 55.95 54.87 2dax s SER 2 Cb 0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2dax s SER 2 CO 0.00 -1.23 1.18 -0.55 0.98 0.00 0.00 173.24 173.63 2dax s SER 3 N -3.15 6.93 -0.10 7.02 0.15 -1.26 -5.02 113.70 118.28 2dax s SER 3 Ca 0.28 1.41 0.01 0.00 0.70 0.00 0.00 55.95 58.35 2dax s SER 3 Cb -0.00 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2dax s SER 3 CO 0.15 -0.82 -0.14 -0.83 1.20 0.00 0.00 173.24 172.81 2dax s GLY 4 N 1.88 1.54 -0.71 9.45 0.00 -1.26 -5.02 107.32 113.20 2dax s GLY 4 Ca 0.51 -0.92 -0.01 0.00 0.00 0.00 0.00 44.72 44.29 2dax s GLY 4 CO 0.14 -0.41 1.98 1.44 0.00 0.00 0.00 173.10 176.25 2dax n SER 5 N 3.06 7.49 -4.40 1.64 7.64 -1.26 -4.92 113.62 122.87 2dax n SER 5 Ca -0.18 -3.80 -0.44 0.00 1.01 0.00 0.00 58.87 55.46 2dax n SER 5 Cb 0.53 -0.97 -0.05 0.00 -1.01 0.00 0.00 64.21 62.71 2dax n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dax s SER 6 N -1.70 6.19 -1.09 6.43 0.01 -1.26 -4.92 113.70 117.36 2dax s SER 6 Ca 0.60 -1.24 -0.05 0.00 1.31 0.00 0.00 55.95 56.57 2dax s SER 6 Cb 0.48 -2.32 0.30 0.00 0.21 0.00 0.00 66.02 64.69 2dax s SER 6 CO -0.14 -1.13 1.39 0.61 0.41 0.00 0.00 173.24 174.38 2dax n GLY 7 N 5.26 4.94 0.19 3.44 0.00 -1.26 -4.78 105.19 112.99 2dax n GLY 7 Ca -0.08 -2.65 0.06 0.00 0.00 0.00 0.00 46.02 43.35 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 5.72 0.00 0.18 1.61 4.11 -2.00 -3.19 114.58 121.01 2dax h GLU 8 Ca 0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.62 2dax h GLU 8 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2dax h GLU 8 CO 1.25 0.36 -0.09 0.37 0.07 0.00 0.00 179.01 180.97 2dax h GLN 9 N 0.00 -0.24 -0.91 1.06 4.15 -1.96 0.23 115.11 117.44 2dax h GLN 9 Ca -0.00 0.02 0.15 0.00 0.77 0.00 0.00 58.65 59.58 2dax h GLN 9 Cb 0.80 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.47 2dax h GLN 9 CO 0.05 -0.02 0.58 0.00 -1.93 0.00 0.00 178.83 177.51 2dax h ALA 10 N 0.36 1.84 -0.10 3.38 0.00 -1.92 -1.39 119.26 121.42 2dax h ALA 10 Ca -0.03 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2dax h ALA 10 Cb 0.33 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dax h ALA 10 CO 0.04 -0.10 -0.68 0.93 0.00 0.00 0.00 179.25 179.45 2dax h GLU 11 N 0.69 0.64 -0.95 0.00 5.08 -1.52 -3.12 114.58 115.41 2dax h GLU 11 Ca 0.46 -0.55 0.16 0.00 -1.00 0.00 0.00 59.36 58.43 2dax h GLU 11 Cb 0.76 0.12 -0.16 0.00 0.50 0.00 0.00 28.75 29.97 2dax h GLU 11 CO -0.22 1.17 -0.31 0.00 -1.00 0.00 0.00 179.01 178.65 2dax n ALA 12 N -2.59 0.03 -0.04 3.43 0.00 0.05 0.15 120.51 121.54 2dax n ALA 12 Ca -0.08 0.98 -0.13 0.00 0.00 0.00 0.00 53.44 54.21 2dax n ALA 12 Cb 0.70 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 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 0.23 0.16 0.00 4.20 -1.62 -3.23 115.11 114.84 2dax h GLN 13 Ca 0.38 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2dax h GLN 13 Cb 0.62 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 2dax h GLN 13 CO -0.95 0.60 -0.34 1.25 -0.67 0.00 0.00 178.83 178.72 2dax h LEU 14 N -0.15 -1.00 -0.75 1.46 5.85 -0.59 -2.44 115.31 117.69 2dax h LEU 14 Ca 0.02 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.94 2dax h LEU 14 Cb 0.55 0.36 -0.11 0.00 0.37 0.00 0.00 40.66 41.82 2dax h LEU 14 CO 0.02 -0.39 -0.35 0.00 -0.34 0.00 0.00 178.44 177.38 2dax n ALA 15 N -2.72 -0.23 -0.28 1.25 0.00 0.12 0.19 120.51 118.84 2dax n ALA 15 Ca -0.06 0.71 0.06 0.00 0.00 0.00 0.00 53.44 54.15 2dax n ALA 15 Cb 0.28 -0.26 0.21 0.00 0.00 0.00 0.00 19.45 19.68 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 0.57 0.25 0.00 4.57 -1.50 0.12 114.58 118.59 2dax h GLU 16 Ca 0.21 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2dax h GLU 16 Cb 0.40 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2dax h GLU 16 CO -0.73 0.38 -0.12 -0.07 -1.18 0.00 0.00 179.01 177.29 2dax h LEU 17 N 0.59 -0.28 -0.80 1.64 3.38 0.25 -1.69 115.31 118.39 2dax h LEU 17 Ca 0.44 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.60 2dax h LEU 17 Cb 0.62 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.29 2dax h LEU 17 CO -0.36 -0.15 -0.09 -0.78 0.09 0.00 0.00 178.44 177.15 2dax h ASP 18 N -0.43 -0.56 0.48 -0.43 3.58 -0.83 -1.14 116.42 117.10 2dax h ASP 18 Ca -0.03 0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2dax h ASP 18 Cb 0.25 0.43 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 2dax h ASP 18 CO 0.06 -0.24 -0.46 0.25 -2.88 0.00 0.00 179.24 175.96 2dax h LEU 19 N 0.04 -1.25 -0.95 2.28 6.46 -0.81 -2.87 115.31 118.21 2dax h LEU 19 Ca 0.42 0.10 0.14 0.00 -0.12 0.00 0.00 57.88 58.41 2dax h LEU 19 Cb 0.71 0.41 -0.15 0.00 -0.73 0.00 0.00 40.66 40.90 2dax h LEU 19 CO -0.77 -0.63 -0.42 -0.07 -0.62 0.00 0.00 178.44 175.93 2dax h LEU 20 N -0.95 -1.55 -0.86 2.25 3.38 -0.24 0.44 115.31 117.79 2dax h LEU 20 Ca -0.05 0.31 0.28 0.00 0.09 0.00 0.00 57.88 58.50 2dax h LEU 20 Cb 0.82 0.78 -0.16 0.00 0.09 0.00 0.00 40.66 42.19 2dax h LEU 20 CO -0.05 -0.28 0.16 0.00 0.09 0.00 0.00 178.44 178.35 2dax n ALA 21 N -3.40 0.58 0.03 1.53 0.00 -0.92 0.14 120.51 118.47 2dax n ALA 21 Ca 0.08 0.91 -0.20 0.00 0.00 0.00 0.00 53.44 54.24 2dax n ALA 21 Cb 0.37 -0.74 -0.10 0.00 0.00 0.00 0.00 19.45 18.98 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 0.86 -0.48 0.00 0.87 -0.19 -3.19 113.55 111.41 2dax h SER 22 Ca 0.59 -0.74 0.13 0.00 -1.23 0.00 0.00 61.79 60.55 2dax h SER 22 Cb 1.35 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 2dax h SER 22 CO -0.77 1.48 0.35 0.24 -0.53 0.00 0.00 176.83 177.60 2dax h MET 23 N 0.32 0.03 -3.03 2.24 2.07 0.21 -3.10 114.93 113.68 2dax h MET 23 Ca -0.12 -0.00 -0.73 0.00 -2.07 0.00 0.00 59.70 56.78 2dax h MET 23 Cb 1.62 -0.01 -0.34 0.00 -1.87 0.00 0.00 31.60 31.01 2dax h MET 23 CO 0.19 0.02 0.13 1.19 1.07 0.00 0.00 176.91 179.51 2dax n PHE 24 N -4.40 3.71 -0.09 -0.22 3.01 -0.11 -4.86 117.46 114.51 2dax n PHE 24 Ca 0.09 -3.68 -0.12 0.00 1.01 0.00 0.00 57.45 54.75 2dax n PHE 24 Cb 0.54 -1.14 0.01 0.00 -0.01 0.00 0.00 39.48 38.88 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 5.58 0.84 -5.06 -1.08 0.13 -1.72 -3.43 132.00 127.26 2dax h PRO 25 Ca 0.18 -0.44 -0.52 0.00 -0.87 0.00 0.00 66.00 64.35 2dax h PRO 25 Cb 0.73 0.02 0.13 0.00 0.13 0.00 0.00 31.00 32.01 2dax h PRO 25 CO 1.01 1.08 -0.81 0.41 -0.23 0.00 0.00 178.00 179.46 2dax n GLY 26 N 0.10 -2.33 3.68 1.56 0.00 -1.26 -4.81 105.19 102.14 2dax n GLY 26 Ca -0.02 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2dax n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dax s GLU 27 N -0.84 4.33 -0.86 1.61 2.12 -1.26 -3.31 118.70 120.49 2dax s GLU 27 Ca 0.50 1.70 -0.03 0.00 0.36 0.00 0.00 54.97 57.49 2dax s GLU 27 Cb -0.53 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.28 2dax s GLU 27 CO 0.53 -0.49 0.74 0.09 -0.54 0.00 0.00 175.26 175.59 2dax n ASN 28 N 5.37 -3.67 -0.09 -1.70 3.02 -1.26 -4.97 115.26 111.96 2dax n ASN 28 Ca 0.11 -0.38 -0.10 0.00 -0.03 0.00 0.00 54.58 54.19 2dax n ASN 28 Cb 0.46 -3.54 -0.04 0.00 -0.61 0.00 0.00 39.78 36.05 2dax n ASN 28 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dax n GLU 29 N -3.32 0.51 -4.77 3.52 1.02 -1.21 -4.84 120.64 111.55 2dax n GLU 29 Ca -0.08 0.37 -0.33 0.00 -0.02 0.00 0.00 57.16 57.10 2dax n GLU 29 Cb 0.57 -1.56 -0.12 0.00 -0.02 0.00 0.00 31.44 30.30 2dax n GLU 29 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dax s LEU 30 N -8.00 2.84 -0.07 -4.62 0.20 -1.26 0.20 118.68 107.97 2dax s LEU 30 Ca -0.24 -0.19 -0.00 0.00 0.69 0.00 0.00 54.13 54.39 2dax s LEU 30 Cb 0.04 -1.60 0.02 0.00 -0.43 0.00 0.00 46.19 44.22 2dax s LEU 30 CO 0.36 0.33 -0.04 -0.63 -0.29 0.00 0.00 176.35 176.08 2dax s ILE 31 N -0.80 0.64 -0.63 6.68 1.09 -0.37 -4.99 121.20 122.82 2dax s ILE 31 Ca 0.13 -0.10 -0.09 0.00 -1.10 0.00 0.00 60.65 59.48 2dax s ILE 31 Cb -0.11 -0.70 0.16 0.00 -1.06 0.00 0.00 42.46 40.76 2dax s ILE 31 CO 0.02 0.28 0.52 -0.69 -0.10 0.00 0.00 174.94 174.97 2dax s VAL 32 N 1.44 4.57 0.05 2.92 1.01 -1.26 -1.12 120.40 128.02 2dax s VAL 32 Ca -0.02 -2.33 -0.33 0.00 0.00 0.00 0.00 61.98 59.30 2dax s VAL 32 Cb -0.13 -3.93 -0.19 0.00 0.00 0.00 0.00 36.38 32.13 2dax s VAL 32 CO -0.03 -0.89 1.50 0.78 0.00 0.00 0.00 175.10 176.46 2dax h ASN 33 N 7.85 -0.89 -0.45 3.32 2.35 -1.94 -3.36 115.58 122.46 2dax h ASN 33 Ca -0.06 0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 2dax h ASN 33 Cb 1.03 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.61 2dax h ASN 33 CO 0.80 -0.60 0.40 -1.81 -1.65 0.00 0.00 177.43 174.56 2dax s ASP 34 N -4.30 4.38 -0.13 5.81 1.11 -1.05 -4.72 116.67 117.76 2dax s ASP 34 Ca -0.18 -0.56 -0.25 0.00 0.18 0.00 0.00 52.55 51.74 2dax s ASP 34 Cb 0.03 -2.57 -0.23 0.00 1.07 0.00 0.00 42.92 41.22 2dax s ASP 34 CO 0.58 -3.54 0.69 1.56 1.18 0.00 0.00 175.17 175.64 2dax h GLN 35 N 11.68 -0.00 -0.65 8.23 1.08 -1.89 -3.31 115.11 130.25 2dax h GLN 35 Ca 0.06 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.40 2dax h GLN 35 Cb 0.99 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.32 2dax h GLN 35 CO 1.10 0.85 0.06 1.25 -0.95 0.00 0.00 178.83 181.14 2dax h LEU 36 N -0.98 -0.18 -0.77 1.46 5.85 -1.96 0.42 115.31 119.15 2dax h LEU 36 Ca -0.00 0.15 0.16 0.00 0.84 0.00 0.00 57.88 59.03 2dax h LEU 36 Cb 0.86 0.24 -0.11 0.00 0.37 0.00 0.00 40.66 42.03 2dax h LEU 36 CO 0.00 -0.09 0.27 0.00 -0.34 0.00 0.00 178.44 178.28 2dax h ALA 37 N 1.57 1.08 -0.10 1.25 0.00 -1.87 -1.06 119.26 120.14 2dax h ALA 37 Ca 0.35 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 2dax h ALA 37 Cb 0.57 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2dax h ALA 37 CO -0.52 -0.28 -0.10 0.28 0.00 0.00 0.00 179.25 178.63 2dax h VAL 38 N 0.37 1.36 -0.28 0.00 2.07 -1.08 -3.03 116.25 115.67 2dax h VAL 38 Ca 0.44 -1.25 0.06 0.00 0.82 0.00 0.00 66.70 66.77 2dax h VAL 38 Cb 0.73 1.97 -0.08 0.00 -1.52 0.00 0.00 31.29 32.39 2dax h VAL 38 CO -0.47 0.35 -0.39 0.00 0.02 0.00 0.00 177.57 177.09 2dax h ALA 39 N 0.58 -0.42 -0.58 1.67 0.00 -0.16 -1.30 119.26 119.05 2dax h ALA 39 Ca 0.02 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2dax h ALA 39 Cb 0.61 0.78 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 2dax h ALA 39 CO 0.02 -0.84 0.10 0.93 0.00 0.00 0.00 179.25 179.46 2dax h GLU 40 N -0.37 0.22 -1.07 0.00 5.08 -1.30 0.79 114.58 117.92 2dax h GLU 40 Ca 0.12 -0.01 0.29 0.00 -1.00 0.00 0.00 59.36 58.75 2dax h GLU 40 Cb 0.58 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 2dax h GLU 40 CO -0.48 0.14 0.71 1.25 -1.00 0.00 0.00 179.01 179.64 2dax h LEU 41 N 0.22 0.31 0.09 1.33 5.85 -1.11 0.14 115.31 122.14 2dax h LEU 41 Ca 0.30 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 2dax h LEU 41 Cb 0.45 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2dax h LEU 41 CO -0.41 0.05 -0.04 0.11 -0.34 0.00 0.00 178.44 177.82 2dax h LYS 42 N 0.27 -0.11 -1.29 1.25 6.56 -0.53 -3.03 116.57 119.69 2dax h LYS 42 Ca 0.58 0.01 0.42 0.00 -1.06 0.00 0.00 60.65 60.60 2dax h LYS 42 Cb 1.72 0.03 -0.13 0.00 -0.57 0.00 0.00 32.23 33.28 2dax h LYS 42 CO -0.21 -0.07 0.83 0.22 -2.06 0.00 0.00 179.45 178.15 2dax h ASP 43 N -0.43 0.26 0.08 0.86 3.58 -1.03 0.48 116.42 120.22 2dax h ASP 43 Ca -0.01 0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2dax h ASP 43 Cb 0.09 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2dax h ASP 43 CO 0.02 -0.16 -0.04 0.00 -2.88 0.00 0.00 179.24 176.18 2dax h ILE 45 N -0.33 1.27 0.05 0.00 2.04 -0.07 0.27 117.51 120.74 2dax h ILE 45 Ca -0.01 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 2dax h ILE 45 Cb 0.28 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2dax h ILE 45 CO 0.02 0.34 -0.02 -0.33 0.00 0.00 0.00 178.15 178.15 2dax h GLU 46 N 0.39 -0.07 0.00 2.37 5.08 -0.66 -1.47 114.58 120.22 2dax h GLU 46 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2dax h GLU 46 Cb 0.50 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2dax h GLU 46 CO 0.02 -0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.62 2dax n LYS 47 N -5.12 0.98 -3.91 2.33 5.02 0.20 -4.86 118.16 112.80 2dax n LYS 47 Ca -0.08 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 2dax n LYS 47 Cb 0.06 -1.14 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 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 -0.64 -3.02 -3.95 1.97 5.02 -0.41 -4.93 118.16 112.20 2dax n LYS 48 Ca 0.06 0.36 -0.26 0.00 -2.02 0.00 0.00 58.31 56.46 2dax n LYS 48 Cb 0.03 -5.07 -0.17 0.00 -0.02 0.00 0.00 35.03 29.80 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 -3.10 0.95 -0.92 -0.18 -1.32 0.83 -4.96 115.64 106.92 2dax s THR 49 Ca 0.62 -0.25 -0.11 0.00 -1.21 0.00 0.00 61.69 60.74 2dax s THR 49 Cb -0.34 -0.97 0.24 0.00 -1.51 0.00 0.00 72.50 69.92 2dax s THR 49 CO 0.76 0.35 0.87 -0.04 -2.21 0.00 0.00 174.62 174.35 2dax s MET 50 N 1.64 3.75 0.07 7.08 -1.94 -1.26 -4.41 119.30 124.23 2dax s MET 50 Ca 0.03 -2.78 -0.16 0.00 -1.71 0.00 0.00 55.69 51.07 2dax s MET 50 Cb -0.13 -4.41 -0.13 0.00 2.01 0.00 0.00 34.83 32.17 2dax s MET 50 CO -0.07 -1.26 1.33 1.05 -0.01 0.00 0.00 175.02 176.05 2dax h GLU 51 N 7.25 0.60 0.00 2.03 4.11 -1.98 -3.49 114.58 123.11 2dax h GLU 51 Ca 0.13 -0.40 0.00 0.00 0.07 0.00 0.00 59.36 59.16 2dax h GLU 51 Cb 0.97 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2dax h GLU 51 CO 0.85 1.01 0.00 0.41 0.07 0.00 0.00 179.01 181.35 2dax n GLY 52 N 0.43 2.48 3.33 1.06 0.00 -1.26 -5.10 105.19 106.13 2dax n GLY 52 Ca -0.06 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 2dax n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dax n ARG 53 N 0.00 0.21 -0.04 1.61 3.00 -1.26 -4.94 116.66 115.24 2dax n ARG 53 Ca 0.00 0.08 -0.05 0.00 -0.01 0.00 0.00 57.85 57.87 2dax n ARG 53 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 32.46 31.10 2dax n ARG 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dax n SER 54 N 1.57 3.07 -4.72 0.55 2.88 -1.26 -5.03 113.62 110.68 2dax n SER 54 Ca 0.09 -0.02 -0.33 0.00 -1.33 0.00 0.00 58.87 57.28 2dax n SER 54 Cb 0.48 -0.13 -0.08 0.00 -0.75 0.00 0.00 64.21 63.73 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 -4.83 5.36 0.11 -3.46 0.01 -1.26 -5.10 113.70 104.54 2dax s SER 55 Ca -0.10 0.06 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 2dax s SER 55 Cb 0.03 -1.46 -0.06 0.00 0.21 0.00 0.00 66.02 64.73 2dax s SER 55 CO 0.16 0.28 0.92 -0.54 0.41 0.00 0.00 173.24 174.48 2dax s LYS 56 N -1.61 4.68 -0.64 12.44 1.02 -1.26 -4.78 119.74 129.59 2dax s LYS 56 Ca 0.21 1.39 -0.26 0.00 0.02 0.00 0.00 55.97 57.32 2dax s LYS 56 Cb -0.12 -3.36 -0.11 0.00 -0.52 0.00 0.00 37.83 33.72 2dax s LYS 56 CO 0.11 0.26 2.42 0.28 -0.92 0.00 0.00 175.35 177.50 2dax n VAL 57 N 2.65 -0.05 -3.73 3.17 0.31 -1.22 -4.88 118.33 114.59 2dax n VAL 57 Ca 0.01 -0.66 -0.36 0.00 -0.01 0.00 0.00 64.34 63.32 2dax n VAL 57 Cb 0.49 -2.38 -0.10 0.00 -0.91 0.00 0.00 33.84 30.94 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 13.21 3.24 -0.24 3.52 5.04 -1.26 -2.90 117.35 137.97 2dax s TYR 58 Ca 0.97 0.06 -0.09 0.00 -2.44 0.00 0.00 57.07 55.58 2dax s TYR 58 Cb -0.18 -2.25 0.10 0.00 0.35 0.00 0.00 41.96 39.98 2dax s TYR 58 CO 0.19 -0.04 0.52 -0.59 -1.34 0.00 0.00 175.55 174.30 2dax s PHE 59 N 1.17 -1.00 0.10 4.97 -0.71 -1.11 -2.54 117.98 118.86 2dax s PHE 59 Ca 0.06 1.85 -0.15 0.00 -1.04 0.00 0.00 56.93 57.66 2dax s PHE 59 Cb -0.14 0.51 -0.06 0.00 -1.21 0.00 0.00 43.02 42.12 2dax s PHE 59 CO 0.05 -0.54 0.51 0.99 -1.34 0.00 0.00 175.22 174.88 2dax s THR 60 N 2.54 4.90 -0.17 -4.49 2.01 -0.27 -2.66 115.64 117.50 2dax s THR 60 Ca -0.05 0.84 -0.00 0.00 0.31 0.00 0.00 61.69 62.79 2dax s THR 60 Cb -0.11 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.66 2dax s THR 60 CO -0.16 0.36 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.36 2dax s ILE 61 N -1.33 2.60 -0.46 1.82 1.01 -1.15 -1.23 121.20 122.47 2dax s ILE 61 Ca 0.33 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 2dax s ILE 61 Cb -0.16 -2.11 0.05 0.00 0.01 0.00 0.00 42.46 40.25 2dax s ILE 61 CO 0.18 0.51 0.46 0.20 0.00 0.00 0.00 174.94 176.28 2dax s ASN 62 N 1.04 6.18 -0.21 3.58 0.01 0.13 -2.66 114.94 123.01 2dax s ASN 62 Ca -0.01 -0.95 -0.04 0.00 -0.71 0.00 0.00 52.86 51.15 2dax s ASN 62 Cb -0.15 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.28 2dax s ASN 62 CO -0.04 -0.66 -0.02 -0.04 -1.51 0.00 0.00 177.10 174.83 2dax s MET 63 N 2.06 3.48 -0.45 -0.60 -1.94 -1.14 -4.69 119.30 116.03 2dax s MET 63 Ca 0.10 -0.58 -0.21 0.00 -1.71 0.00 0.00 55.69 53.29 2dax s MET 63 Cb -0.20 -3.05 0.03 0.00 2.01 0.00 0.00 34.83 33.63 2dax s MET 63 CO 0.11 -0.11 0.65 0.54 -0.01 0.00 0.00 175.02 176.20 2dax s ASN 64 N 1.28 6.30 0.06 3.03 2.20 -1.26 -2.60 114.94 123.95 2dax s ASN 64 Ca 0.04 -0.44 0.05 0.00 -0.94 0.00 0.00 52.86 51.57 2dax s ASN 64 Cb -0.14 -2.32 -0.03 0.00 -2.00 0.00 0.00 41.25 36.76 2dax s ASN 64 CO -0.00 -0.81 -0.15 -0.76 -2.94 0.00 0.00 177.10 172.43 2dax s LEU 65 N 2.83 2.22 0.01 3.54 1.43 -1.22 -4.99 118.68 122.49 2dax s LEU 65 Ca 0.21 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 2dax s LEU 65 Cb -0.15 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 2dax s LEU 65 CO 0.18 0.01 1.11 1.51 0.23 0.00 0.00 176.35 179.38 2dax s ASP 66 N -1.41 7.18 -0.19 2.29 -4.77 -1.26 -2.46 116.67 116.05 2dax s ASP 66 Ca 0.01 1.82 -0.08 0.00 -3.30 0.00 0.00 52.55 51.00 2dax s ASP 66 Cb -0.09 -2.57 -0.09 0.00 -1.09 0.00 0.00 42.92 39.09 2dax s ASP 66 CO 0.02 -0.42 -0.24 1.33 0.70 0.00 0.00 175.17 176.56 2dax n VAL 67 N 4.10 1.04 -3.76 2.11 0.24 -0.80 -4.95 118.33 116.30 2dax n VAL 67 Ca 0.08 -0.28 -0.02 0.00 -2.04 0.00 0.00 64.34 62.09 2dax n VAL 67 Cb 0.48 -1.69 -0.00 0.00 -1.47 0.00 0.00 33.84 31.15 2dax n VAL 67 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2dax s SER 68 N -6.61 -0.10 -1.36 -1.34 1.04 -1.24 -5.00 113.70 99.08 2dax s SER 68 Ca -0.26 -0.40 -0.07 0.00 0.48 0.00 0.00 55.95 55.70 2dax s SER 68 Cb 0.10 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2dax s SER 68 CO 0.34 -0.75 0.44 0.47 0.98 0.00 0.00 173.24 174.72 2dax n ASP 69 N -0.67 -1.33 -2.18 7.02 9.92 -1.26 0.07 116.55 128.12 2dax n ASP 69 Ca -0.06 -1.08 0.00 0.00 -0.53 0.00 0.00 54.79 53.12 2dax n ASP 69 Cb 0.61 -2.75 0.00 0.00 -0.64 0.00 0.00 41.12 38.34 2dax n ASP 69 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2dax n GLU 70 N -4.46 -2.63 -4.51 -1.24 0.28 -1.26 -4.84 120.64 101.98 2dax n GLU 70 Ca -0.26 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.45 2dax n GLU 70 Cb 0.66 -4.01 -0.08 0.00 1.43 0.00 0.00 31.44 29.44 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2dax s LYS 71 N -4.26 2.14 0.07 3.44 -0.14 0.11 -5.06 119.74 116.05 2dax s LYS 71 Ca 0.00 -2.18 -0.09 0.00 -1.36 0.00 0.00 55.97 52.34 2dax s LYS 71 Cb 0.00 -1.71 0.00 0.00 -1.68 0.00 0.00 37.83 34.44 2dax s LYS 71 CO 0.00 -0.26 0.20 0.00 -0.76 0.00 0.00 175.35 174.53 2dax s MET 72 N -3.88 0.81 0.22 1.68 0.23 -1.26 -1.91 119.30 115.18 2dax s MET 72 Ca 0.24 -0.85 0.06 0.00 -1.03 0.00 0.00 55.69 54.10 2dax s MET 72 Cb 0.04 0.33 -0.05 0.00 -1.53 0.00 0.00 34.83 33.62 2dax s MET 72 CO 0.13 -0.25 -0.09 0.00 -2.03 0.00 0.00 175.02 172.78 2dax s ALA 73 N -3.48 1.95 -0.28 3.16 0.00 -1.03 -4.93 121.76 117.16 2dax s ALA 73 Ca 0.02 -1.71 -0.18 0.00 0.00 0.00 0.00 51.96 50.10 2dax s ALA 73 Cb 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 2dax s ALA 73 CO -0.09 -0.05 0.51 1.41 0.00 0.00 0.00 175.76 177.54 2dax s MET 74 N -3.72 3.99 -0.24 0.00 1.75 -1.26 -3.42 119.30 116.40 2dax s MET 74 Ca 0.24 0.23 -0.13 0.00 -1.25 0.00 0.00 55.69 54.78 2dax s MET 74 Cb 0.02 -3.68 -0.04 0.00 2.84 0.00 0.00 34.83 33.97 2dax s MET 74 CO 0.07 -0.40 0.28 -0.06 -0.65 0.00 0.00 175.02 174.26 2dax s PHE 75 N 2.32 3.31 -0.36 4.11 0.40 -1.07 -4.75 117.98 121.94 2dax s PHE 75 Ca 0.21 0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 56.75 2dax s PHE 75 Cb -0.16 -2.42 -0.00 0.00 0.51 0.00 0.00 43.02 40.95 2dax s PHE 75 CO 0.10 -0.04 0.36 -1.12 0.70 0.00 0.00 175.22 175.22 2dax s SER 76 N 1.23 6.17 -0.60 1.36 0.01 -0.82 -2.86 113.70 118.19 2dax s SER 76 Ca 0.13 -0.38 -0.06 0.00 1.31 0.00 0.00 55.95 56.94 2dax s SER 76 Cb -0.15 -2.19 0.16 0.00 0.21 0.00 0.00 66.02 64.05 2dax s SER 76 CO 0.07 -0.38 0.45 -0.76 0.41 0.00 0.00 173.24 173.03 2dax s LEU 77 N 1.99 5.63 -0.80 2.44 1.02 -1.09 -1.34 118.68 126.53 2dax s LEU 77 Ca 0.11 -2.50 -0.25 0.00 0.02 0.00 0.00 54.13 51.51 2dax s LEU 77 Cb -0.17 -1.95 -0.01 0.00 0.02 0.00 0.00 46.19 44.08 2dax s LEU 77 CO 0.12 -0.51 1.74 0.00 0.02 0.00 0.00 176.35 177.72 2dax s ALA 78 N 0.47 2.17 -0.23 4.21 0.00 -0.99 -2.92 121.76 124.47 2dax s ALA 78 Ca 0.13 -1.31 -0.17 0.00 0.00 0.00 0.00 51.96 50.61 2dax s ALA 78 Cb -0.20 -4.42 -0.03 0.00 0.00 0.00 0.00 23.12 18.46 2dax s ALA 78 CO -0.04 -4.08 0.47 0.00 0.00 0.00 0.00 175.76 172.11 2dax s ILE 80 N 1.79 1.41 -0.32 0.00 1.01 -1.22 -2.73 121.20 121.15 2dax s ILE 80 Ca 0.21 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 2dax s ILE 80 Cb -0.15 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 2dax s ILE 80 CO 0.09 0.22 0.26 -0.76 0.00 0.00 0.00 174.94 174.75 2dax s LEU 81 N 1.51 4.31 0.00 2.97 1.43 -1.14 -0.86 118.68 126.89 2dax s LEU 81 Ca 0.01 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 2dax s LEU 81 Cb -0.15 -2.20 0.07 0.00 0.03 0.00 0.00 46.19 43.94 2dax s LEU 81 CO -0.08 -0.19 0.25 -0.81 0.23 0.00 0.00 176.35 175.74 2dax n PRO 82 N 5.17 -1.52 0.03 1.29 -0.04 -1.26 -3.37 135.00 135.29 2dax n PRO 82 Ca -0.12 -0.40 -0.05 0.00 -0.04 0.00 0.00 63.50 62.89 2dax n PRO 82 Cb 0.50 -0.38 -0.10 0.00 -0.04 0.00 0.00 33.50 33.48 2dax n PRO 82 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2dax h PHE 83 N -1.80 0.00 -0.22 0.54 0.04 -1.96 -3.35 116.94 110.19 2dax h PHE 83 Ca -0.09 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.62 2dax h PHE 83 Cb 0.29 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2dax h PHE 83 CO 0.00 0.84 -0.06 0.87 -0.60 0.00 0.00 178.31 179.36 2dax h LYS 84 N 0.00 0.43 -2.37 1.51 6.56 -1.94 -3.46 116.57 117.30 2dax h LYS 84 Ca -0.16 -0.17 -0.26 0.00 -1.06 0.00 0.00 60.65 59.01 2dax h LYS 84 Cb 1.78 -0.02 0.05 0.00 -0.57 0.00 0.00 32.23 33.47 2dax h LYS 84 CO 0.08 0.68 -0.27 0.98 -2.06 0.00 0.00 179.45 178.86 2dax n TYR 85 N -4.59 -0.43 0.52 -1.35 9.36 -1.25 -1.59 117.16 117.83 2dax n TYR 85 Ca -0.04 0.33 0.07 0.00 3.32 0.00 0.00 57.90 61.58 2dax n TYR 85 Cb 0.29 -0.75 0.31 0.00 -0.63 0.00 0.00 39.34 38.57 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 0.44 0.03 0.00 2.98 -0.04 -1.26 -4.87 135.00 132.28 2dax n PRO 86 Ca 0.06 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2dax n PRO 86 Cb 0.12 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.66 0.55 0.00 -0.62 -4.04 120.51 112.27 2dax n ALA 87 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 2dax n ALA 87 Cb 0.16 0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 2dax n ALA 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dax s VAL 88 N -1.60 5.23 0.98 0.00 -7.23 -1.26 -4.65 120.40 111.88 2dax s VAL 88 Ca 0.00 0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 60.57 2dax s VAL 88 Cb 0.00 -3.68 -0.15 0.00 0.56 0.00 0.00 36.38 33.11 2dax s VAL 88 CO 0.00 0.26 -0.89 0.18 -0.31 0.00 0.00 175.10 174.34 2dax n LEU 89 N 4.52 -5.58 0.00 1.32 7.99 -1.26 -3.97 117.00 120.02 2dax n LEU 89 Ca -0.10 0.15 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 2dax n LEU 89 Cb 0.51 -0.72 0.00 0.00 -0.11 0.00 0.00 43.42 43.11 2dax n LEU 89 CO 0.39 -5.52 0.00 -0.81 -1.51 0.00 0.00 177.39 169.94 2dax n PRO 90 N 2.46 -0.95 -3.17 3.23 -0.04 -1.26 -4.80 135.00 130.46 2dax n PRO 90 Ca -0.02 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.21 2dax n PRO 90 Cb 0.58 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.99 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 -1.46 1.57 -2.53 0.54 1.02 -0.04 -4.99 120.64 114.75 2dax n GLU 91 Ca 0.00 -3.81 -0.41 0.00 -0.02 0.00 0.00 57.16 52.92 2dax n GLU 91 Cb 0.00 -1.75 -0.04 0.00 -0.02 0.00 0.00 31.44 29.62 2dax n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2dax s ILE 92 N -2.50 3.73 -0.31 -3.67 1.01 -1.25 -3.42 121.20 114.78 2dax s ILE 92 Ca 0.40 1.64 -0.02 0.00 0.00 0.00 0.00 60.65 62.67 2dax s ILE 92 Cb 0.26 -4.04 0.10 0.00 0.01 0.00 0.00 42.46 38.79 2dax s ILE 92 CO -0.09 0.35 0.11 -0.89 0.00 0.00 0.00 174.94 174.42 2dax s THR 93 N -0.80 0.63 0.24 2.92 2.01 -0.34 -4.96 115.64 115.35 2dax s THR 93 Ca 0.46 -1.25 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 2dax s THR 93 Cb -0.30 -1.49 -0.09 0.00 0.01 0.00 0.00 72.50 70.63 2dax s THR 93 CO 0.37 -0.70 1.15 -0.69 -0.69 0.00 0.00 174.62 174.06 2dax s VAL 94 N 1.72 3.51 -0.10 3.82 1.01 -1.26 -2.34 120.40 126.75 2dax s VAL 94 Ca 0.10 1.40 -0.09 0.00 0.00 0.00 0.00 61.98 63.39 2dax s VAL 94 Cb -0.17 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.35 2dax s VAL 94 CO -0.28 0.29 0.27 -0.13 0.00 0.00 0.00 175.10 175.25 2dax s ARG 95 N -0.94 0.30 -0.16 2.72 1.81 -0.45 -4.89 118.95 117.34 2dax s ARG 95 Ca 0.48 0.42 -0.13 0.00 -1.72 0.00 0.00 55.73 54.78 2dax s ARG 95 Cb -0.32 0.09 0.05 0.00 -0.45 0.00 0.00 34.95 34.31 2dax s ARG 95 CO 0.40 -0.07 0.41 0.45 -0.68 0.00 0.00 175.30 175.81 2dax s SER 96 N 0.41 -0.45 0.42 0.23 0.15 -1.26 -1.93 113.70 111.26 2dax s SER 96 Ca -0.02 0.85 0.09 0.00 0.70 0.00 0.00 55.95 57.57 2dax s SER 96 Cb -0.04 0.82 0.93 0.00 -1.71 0.00 0.00 66.02 66.02 2dax s SER 96 CO -0.02 -0.16 2.04 -0.37 1.20 0.00 0.00 173.24 175.94 2dax h VAL 97 N 4.78 1.04 0.09 4.45 -1.51 -2.01 -2.62 116.25 120.47 2dax h VAL 97 Ca -0.30 -0.17 -0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2dax h VAL 97 Cb 1.18 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 2dax h VAL 97 CO 0.26 0.09 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.58 2dax h LEU 98 N 0.49 -0.10-10.19 4.19 3.38 -1.96 -3.44 115.31 107.68 2dax h LEU 98 Ca 0.17 -0.21 -0.42 0.00 0.09 0.00 0.00 57.88 57.51 2dax h LEU 98 Cb 0.10 0.03 0.20 0.00 0.09 0.00 0.00 40.66 41.08 2dax h LEU 98 CO -0.04 0.15 0.02 -0.76 0.09 0.00 0.00 178.44 177.90 2dax s LEU 99 N -9.71 0.40 0.47 1.67 1.43 -0.99 -4.92 118.68 107.04 2dax s LEU 99 Ca -0.15 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.16 2dax s LEU 99 Cb 0.04 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 2dax s LEU 99 CO 0.64 -4.34 0.23 -0.94 0.23 0.00 0.00 176.35 172.17 2dax s SER 100 N -3.02 4.46 0.25 2.29 1.04 -1.26 -4.87 113.70 112.59 2dax s SER 100 Ca 0.68 -1.22 -0.05 0.00 0.48 0.00 0.00 55.95 55.84 2dax s SER 100 Cb -0.19 -0.02 0.28 0.00 0.10 0.00 0.00 66.02 66.19 2dax s SER 100 CO 0.61 -0.78 1.84 0.03 0.98 0.00 0.00 173.24 175.92 2dax h ARG 101 N 1.18 1.11 0.13 4.02 -0.00 -1.97 -0.90 114.38 117.95 2dax h ARG 101 Ca -0.41 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.98 58.90 2dax h ARG 101 Cb 1.28 -0.20 0.00 0.00 0.00 0.00 0.00 29.97 31.05 2dax h ARG 101 CO 0.66 0.86 -0.06 0.77 0.00 0.00 0.00 179.97 182.20 2dax h SER 102 N 1.10 -0.15 -0.08 7.04 0.02 -2.01 -3.24 113.55 116.23 2dax h SER 102 Ca 0.26 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 2dax h SER 102 Cb 0.13 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 2dax h SER 102 CO -0.03 0.35 -0.41 1.56 -1.14 0.00 0.00 176.83 177.16 2dax h GLN 103 N -1.04 -0.44 -0.93 3.45 4.20 -1.97 -1.81 115.11 116.57 2dax h GLN 103 Ca -0.02 0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.89 2dax h GLN 103 Cb 0.18 0.10 -0.17 0.00 0.30 0.00 0.00 27.48 27.90 2dax h GLN 103 CO 0.03 -0.29 -0.27 0.94 -0.67 0.00 0.00 178.83 178.56 2dax n GLN 104 N -4.74 -0.12 -0.07 1.46 -0.06 -0.34 -0.99 117.38 112.51 2dax n GLN 104 Ca -0.05 1.44 -0.07 0.00 -2.00 0.00 0.00 57.00 56.32 2dax n GLN 104 Cb 0.29 -2.15 -0.05 0.00 -4.06 0.00 0.00 30.24 24.27 2dax n GLN 104 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 2dax h THR 105 N 0.00 0.00 -0.99 1.69 2.02 -1.35 -2.07 112.91 112.20 2dax h THR 105 Ca 0.41 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.69 2dax h THR 105 Cb 0.64 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.92 2dax h THR 105 CO -0.94 0.00 -0.53 1.67 0.37 0.00 0.00 175.52 176.08 2dax n GLN 106 N -4.08 -0.38 -0.33 6.66 -0.06 -0.16 -0.33 117.38 118.70 2dax n GLN 106 Ca -0.02 1.51 -0.01 0.00 -2.00 0.00 0.00 57.00 56.48 2dax n GLN 106 Cb 0.17 -2.22 0.04 0.00 -4.06 0.00 0.00 30.24 24.17 2dax n GLN 106 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 2dax h LEU 107 N 0.00 -1.30 -0.00 1.69 6.46 -1.16 0.52 115.31 121.52 2dax h LEU 107 Ca 0.21 0.29 0.03 0.00 -0.12 0.00 0.00 57.88 58.29 2dax h LEU 107 Cb 0.46 0.69 -0.05 0.00 -0.73 0.00 0.00 40.66 41.03 2dax h LEU 107 CO -0.95 -0.29 -0.30 0.78 -0.62 0.00 0.00 178.44 177.06 2dax h ASN 108 N -0.04 -0.89 -1.17 1.25 2.35 -0.24 0.68 115.58 117.53 2dax h ASN 108 Ca 0.33 0.12 0.40 0.00 -0.55 0.00 0.00 56.30 56.60 2dax h ASN 108 Cb 0.60 0.36 -0.14 0.00 0.05 0.00 0.00 38.32 39.18 2dax h ASN 108 CO -0.91 -0.36 0.71 0.74 -1.65 0.00 0.00 177.43 175.96 2dax h THR 109 N -0.44 0.15 0.00 2.81 2.02 -0.22 -0.85 112.91 116.38 2dax h THR 109 Ca 0.06 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 2dax h THR 109 Cb 0.53 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2dax h THR 109 CO -0.26 0.02 -0.03 0.44 0.37 0.00 0.00 175.52 176.07 2dax h ASP 110 N 0.13 0.00 -0.83 4.18 5.19 -0.78 -3.11 116.42 121.20 2dax h ASP 110 Ca 0.80 -0.27 0.08 0.00 -0.62 0.00 0.00 57.03 57.02 2dax h ASP 110 Cb 2.26 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 41.67 2dax h ASP 110 CO -0.54 0.65 -0.48 -0.11 -3.12 0.00 0.00 179.24 175.65 2dax n LEU 111 N -4.73 -0.85 0.35 1.55 7.94 0.11 -0.89 117.00 120.49 2dax n LEU 111 Ca -0.03 1.48 -0.17 0.00 -1.11 0.00 0.00 56.01 56.18 2dax n LEU 111 Cb 0.14 -0.21 -0.09 0.00 0.53 0.00 0.00 43.42 43.80 2dax n LEU 111 CO 0.10 -1.22 0.53 0.74 -1.11 0.00 0.00 177.39 176.42 2dax h THR 112 N 0.00 0.00 -0.89 1.96 2.02 -1.49 -2.89 112.91 111.62 2dax h THR 112 Ca 0.15 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.50 2dax h THR 112 Cb 0.36 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.60 2dax h THR 112 CO -0.79 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 174.85 2dax n ALA 113 N -2.69 0.13 -0.31 6.16 0.00 -0.32 -0.73 120.51 122.75 2dax n ALA 113 Ca -0.13 0.96 -0.08 0.00 0.00 0.00 0.00 53.44 54.19 2dax n ALA 113 Cb 0.44 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 2dax n ALA 113 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dax n PHE 114 N -5.42 -0.33 0.33 0.00 7.35 -0.07 -1.01 117.46 118.32 2dax n PHE 114 Ca 0.13 0.93 -0.16 0.00 -0.76 0.00 0.00 57.45 57.60 2dax n PHE 114 Cb 0.42 -0.56 -0.08 0.00 0.35 0.00 0.00 39.48 39.61 2dax n PHE 114 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dax h LEU 115 N 0.00 -1.05 -1.25 -2.13 3.38 -0.98 0.11 115.31 113.38 2dax h LEU 115 Ca 0.12 0.07 0.41 0.00 0.09 0.00 0.00 57.88 58.57 2dax h LEU 115 Cb 0.31 0.32 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 2dax h LEU 115 CO -0.70 -0.60 0.83 0.00 0.09 0.00 0.00 178.44 178.05 2dax n GLN 116 N -4.96 -0.02 -0.03 1.13 6.02 -0.78 0.23 117.38 118.97 2dax n GLN 116 Ca -0.12 1.01 -0.01 0.00 -0.01 0.00 0.00 57.00 57.88 2dax n GLN 116 Cb 0.40 -2.06 -0.00 0.00 1.02 0.00 0.00 30.24 29.60 2dax n GLN 116 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2dax h LYS 117 N 0.00 0.00 0.48 -1.09 1.63 -0.42 -3.39 116.57 113.78 2dax h LYS 117 Ca 0.74 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.52 2dax h LYS 117 Cb 2.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 34.15 2dax h LYS 117 CO -0.31 0.00 -0.23 0.45 -3.45 0.00 0.00 179.45 175.91 2dax h HIS 118 N -0.54 -0.60 -3.03 1.91 3.86 0.91 -3.40 115.15 114.26 2dax h HIS 118 Ca 0.00 -0.01 -0.73 0.00 -1.16 0.00 0.00 60.37 58.47 2dax h HIS 118 Cb 0.12 0.20 -0.22 0.00 1.06 0.00 0.00 27.41 28.57 2dax h HIS 118 CO -0.05 -0.30 -0.06 0.00 0.86 0.00 0.00 177.93 178.38 2dax s HIS 120 N 2.14 2.13 -0.60 0.00 5.04 -1.24 -3.19 115.29 119.56 2dax s HIS 120 Ca 0.07 -0.97 -0.04 0.00 -1.54 0.00 0.00 55.06 52.58 2dax s HIS 120 Cb -0.27 -1.50 0.00 0.00 0.04 0.00 0.00 32.58 30.86 2dax s HIS 120 CO 0.05 -0.47 0.52 0.41 -2.34 0.00 0.00 174.74 172.91 2dax n GLY 121 N 4.02 0.29 2.79 1.59 0.00 -1.26 -5.03 105.19 107.59 2dax n GLY 121 Ca -0.20 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.54 -1.28 -3.99 1.61 8.00 -1.26 -4.88 116.55 114.21 2dax n ASP 122 Ca -0.00 -2.47 -0.31 0.00 0.71 0.00 0.00 54.79 52.71 2dax n ASP 122 Cb 0.53 2.30 -0.13 0.00 -0.02 0.00 0.00 41.12 43.79 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 -2.63 2.76 -0.32 2.53 -7.23 -1.26 -4.65 120.40 109.60 2dax s VAL 123 Ca 0.21 -3.07 0.00 0.00 -1.81 0.00 0.00 61.98 57.31 2dax s VAL 123 Cb -0.02 -2.91 0.10 0.00 0.56 0.00 0.00 36.38 34.12 2dax s VAL 123 CO 0.15 -0.78 0.09 0.00 -0.31 0.00 0.00 175.10 174.25 2dax n ILE 125 N 4.68 1.63 0.48 0.00 2.08 -1.26 -4.41 119.36 122.56 2dax n ILE 125 Ca -0.00 -0.76 -0.19 0.00 0.56 0.00 0.00 62.75 62.36 2dax n ILE 125 Cb 0.42 -1.18 -0.09 0.00 -0.75 0.00 0.00 39.64 38.04 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 0.02 -1.04 -1.01 1.39 3.38 -1.96 -2.70 115.31 113.39 2dax h LEU 126 Ca -0.35 0.04 0.35 0.00 0.09 0.00 0.00 57.88 58.00 2dax h LEU 126 Cb 2.04 0.27 -0.10 0.00 0.09 0.00 0.00 40.66 42.95 2dax h LEU 126 CO 0.07 -0.72 0.65 -3.20 0.09 0.00 0.00 178.44 175.33 2dax n ASN 127 N -5.41 0.15 0.05 -0.43 2.85 -1.26 0.19 115.26 111.40 2dax n ASN 127 Ca -0.15 1.01 -0.13 0.00 -0.11 0.00 0.00 54.58 55.20 2dax n ASN 127 Cb 0.48 -0.50 -0.09 0.00 1.24 0.00 0.00 39.78 40.92 2dax n ASN 127 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dax h ALA 128 N 1.16 -0.12 -0.20 5.20 0.00 -1.69 -1.65 119.26 121.95 2dax h ALA 128 Ca 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 2dax h ALA 128 Cb 2.09 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 2dax h ALA 128 CO -0.34 -0.40 0.03 1.79 0.00 0.00 0.00 179.25 180.33 2dax h THR 129 N -0.46 1.11 0.00 0.00 1.35 0.21 -0.96 112.91 114.16 2dax h THR 129 Ca -0.01 -0.41 -0.04 0.00 -0.55 0.00 0.00 66.41 65.40 2dax h THR 129 Cb 0.39 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 2dax h THR 129 CO 0.02 0.14 -0.19 -0.33 -0.25 0.00 0.00 175.52 174.91 2dax h GLU 130 N 0.28 0.00 0.00 4.72 5.08 -1.07 -2.40 114.58 121.19 2dax h GLU 130 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2dax h GLU 130 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2dax h GLU 130 CO -0.00 0.19 -0.83 2.35 -1.00 0.00 0.00 179.01 179.72 2dax h TRP 131 N 0.00 0.00 0.00 4.33 7.01 -0.23 -3.37 115.95 123.69 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 0.92 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.98 2dax h TRP 131 CO 0.00 0.00 -0.27 0.28 -2.79 0.00 0.00 178.44 175.66 2dax h VAL 132 N 0.00 0.00 -1.62 2.65 2.07 -1.11 -2.81 116.25 115.44 2dax h VAL 132 Ca 0.00 -0.65 0.47 0.00 0.82 0.00 0.00 66.70 67.34 2dax h VAL 132 Cb 0.88 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2dax h VAL 132 CO 0.00 0.00 1.21 -2.11 0.02 0.00 0.00 177.57 176.69 2dax n ARG 133 N -3.79 0.00 -0.05 1.57 1.85 -0.92 0.68 116.66 116.01 2dax n ARG 133 Ca -0.04 0.92 -0.03 0.00 -1.00 0.00 0.00 57.85 57.71 2dax n ARG 133 Cb 0.14 -2.15 -0.01 0.00 -1.05 0.00 0.00 32.46 29.38 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 -0.03 2.89 4.81 -1.72 -3.38 114.58 117.16 2dax h GLU 134 Ca 0.77 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 60.03 2dax h GLU 134 Cb 3.18 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 32.51 2dax h GLU 134 CO -0.01 0.00 -0.23 0.45 -0.73 0.00 0.00 179.01 178.49 2dax h HIS 135 N -0.81 -0.62 -0.21 0.92 3.86 -0.63 -3.05 115.15 114.61 2dax h HIS 135 Ca 0.00 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2dax h HIS 135 Cb 0.36 0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 2dax h HIS 135 CO -0.15 -0.32 -0.13 0.00 0.86 0.00 0.00 177.93 178.19 2dax n ALA 136 N -2.65 -0.14 -0.25 2.45 0.00 0.22 0.13 120.51 120.27 2dax n ALA 136 Ca -0.04 0.18 0.17 0.00 0.00 0.00 0.00 53.44 53.75 2dax n ALA 136 Cb 0.27 0.21 0.32 0.00 0.00 0.00 0.00 19.45 20.26 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 -3.36 0.08 0.34 0.00 3.41 -1.15 0.26 113.62 113.20 2dax n SER 137 Ca 0.00 1.26 -0.18 0.00 -0.26 0.00 0.00 58.87 59.69 2dax n SER 137 Cb 0.06 -0.53 -0.09 0.00 -0.26 0.00 0.00 64.21 63.38 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 -1.13 0.91 5.00 0.00 1.00 -3.19 103.07 105.65 2dax h GLY 138 Ca 0.54 0.49 -0.01 0.00 0.00 0.00 0.00 47.33 48.35 2dax h GLY 138 CO -0.65 -0.38 -0.11 -0.97 0.00 0.00 0.00 176.54 174.43 2dax h TYR 139 N -1.00 -0.29 -0.66 5.60 0.05 -0.04 -3.42 116.97 117.20 2dax h TYR 139 Ca -0.07 -0.01 -0.78 0.00 0.05 0.00 0.00 58.73 57.92 2dax h TYR 139 Cb 0.83 0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 2dax h TYR 139 CO -0.15 -0.11 1.12 0.28 -1.05 0.00 0.00 178.16 178.26 2dax n VAL 140 N -5.18 0.08 -3.40 -2.88 0.31 0.07 -4.91 118.33 102.42 2dax n VAL 140 Ca -0.09 -0.05 -0.10 0.00 -0.01 0.00 0.00 64.34 64.08 2dax n VAL 140 Cb 0.18 -0.80 -0.09 0.00 -0.91 0.00 0.00 33.84 32.22 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 5.12 0.31 -0.16 4.52 0.01 -1.26 -4.90 113.70 117.34 2dax s SER 141 Ca 1.11 0.27 -0.10 0.00 1.31 0.00 0.00 55.95 58.55 2dax s SER 141 Cb -1.33 1.05 0.05 0.00 0.21 0.00 0.00 66.02 66.01 2dax s SER 141 CO 0.67 -0.29 0.39 -0.60 0.41 0.00 0.00 173.24 173.81 2dax s ARG 142 N 2.53 0.38 0.20 12.44 3.00 -1.26 -5.03 118.95 131.21 2dax s ARG 142 Ca 0.10 0.70 0.00 0.00 -1.00 0.00 0.00 55.73 55.54 2dax s ARG 142 Cb -0.15 0.02 0.00 0.00 0.00 0.00 0.00 34.95 34.82 2dax s ARG 142 CO -0.15 -0.14 0.00 -3.47 0.00 0.00 0.00 175.30 171.55 2dax n ASP 143 N 3.95 0.19 -4.20 -2.12 -0.08 -1.26 -5.08 116.55 107.96 2dax n ASP 143 Ca -0.21 0.33 -0.35 0.00 -1.51 0.00 0.00 54.79 53.05 2dax n ASP 143 Cb 0.55 0.15 0.09 0.00 2.34 0.00 0.00 41.12 44.26 2dax n ASP 143 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2dax n THR 144 N -3.37 0.00 -3.88 5.18 5.66 -1.26 -4.99 114.28 111.62 2dax n THR 144 Ca 0.00 -0.27 -0.28 0.00 -3.05 0.00 0.00 64.05 60.45 2dax n THR 144 Cb 0.03 -0.34 -0.16 0.00 -1.55 0.00 0.00 70.33 68.30 2dax n THR 144 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2dax s SER 145 N -1.52 2.86 0.10 1.09 1.04 -1.26 -4.99 113.70 111.02 2dax s SER 145 Ca 0.48 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2dax s SER 145 Cb -0.12 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.11 2dax s SER 145 CO 0.71 -0.20 0.00 -1.20 0.98 0.00 0.00 173.24 173.53 2dax n SER 146 N 4.89 0.78 -4.53 7.02 7.64 -1.26 -5.01 113.62 123.14 2dax n SER 146 Ca -0.11 0.14 -0.51 0.00 1.01 0.00 0.00 58.87 59.40 2dax n SER 146 Cb 0.47 -0.20 -0.07 0.00 -1.01 0.00 0.00 64.21 63.41 2dax n SER 146 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dax n SER 147 N -3.39 2.44 0.00 6.43 7.64 -1.26 -4.15 113.62 121.33 2dax n SER 147 Ca 0.00 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.49 2dax n SER 147 Cb 0.09 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 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 5.78 -1.22 3.66 0.23 0.00 -1.26 -5.11 105.19 107.27 2dax n GLY 148 Ca 0.35 0.44 -0.43 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 4.15 -0.13 1.61 0.04 -1.26 -5.01 135.00 134.40 2dax s PRO 149 Ca 0.00 1.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2dax s PRO 149 Cb 0.00 -3.93 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2dax s PRO 149 CO 0.00 -0.86 -0.00 -1.54 0.04 0.00 0.00 177.00 174.63 2dax s SER 150 N 3.05 5.12 -0.42 6.66 1.04 -1.26 -5.08 113.70 122.81 2dax s SER 150 Ca 0.68 0.03 -0.11 0.00 0.48 0.00 0.00 55.95 57.02 2dax s SER 150 Cb -0.29 -1.66 0.06 0.00 0.10 0.00 0.00 66.02 64.23 2dax s SER 150 CO 0.25 0.27 0.28 -0.94 0.98 0.00 0.00 173.24 174.07 2dax s SER 151 N -0.20 5.80 0.00 7.02 1.04 -1.26 -5.30 113.70 120.79 2dax s SER 151 Ca 0.05 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2dax s SER 151 Cb -0.13 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2dax s SER 151 CO 0.02 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.33