#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 0.02 -3.47 1.61 0.02 -2.14 -3.35 113.55 106.25 2dax h SER 2 Ca 0.00 0.13 -0.63 0.00 -0.84 0.00 0.00 61.79 60.45 2dax h SER 2 Cb 0.00 0.18 -0.14 0.00 0.14 0.00 0.00 62.40 62.58 2dax h SER 2 CO 0.00 -0.01 0.34 -0.44 -1.14 0.00 0.00 176.83 175.58 2dax s SER 3 N -5.27 6.36 0.00 3.07 0.01 -1.26 -4.99 113.70 111.62 2dax s SER 3 Ca -0.13 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2dax s SER 3 Cb 0.20 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 64.05 2dax s SER 3 CO 0.75 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2dax n GLY 4 N 5.05 0.46 2.96 3.44 0.00 -1.26 -5.07 105.19 110.77 2dax n GLY 4 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2dax n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dax s SER 5 N -1.00 3.78 -0.15 1.61 0.01 -1.26 -4.97 113.70 111.72 2dax s SER 5 Ca 0.00 -1.12 -0.08 0.00 1.31 0.00 0.00 55.95 56.06 2dax s SER 5 Cb 0.00 -1.21 -0.07 0.00 0.21 0.00 0.00 66.02 64.95 2dax s SER 5 CO 0.00 -0.21 -0.20 -1.20 0.41 0.00 0.00 173.24 172.04 2dax n SER 6 N 4.66 1.13 0.00 2.44 7.64 -1.26 -5.07 113.62 123.15 2dax n SER 6 Ca -0.13 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2dax n SER 6 Cb 0.44 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2dax n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dax n GLY 7 N 2.04 0.44 0.10 0.23 0.00 -1.26 -5.01 105.19 101.73 2dax n GLY 7 Ca -0.30 0.66 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 2dax n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dax n GLU 8 N 0.00 0.68 -0.19 1.61 0.28 -1.26 -4.31 120.64 117.45 2dax n GLU 8 Ca 0.00 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2dax n GLU 8 Cb 0.00 -1.58 0.10 0.00 1.43 0.00 0.00 31.44 31.39 2dax n GLU 8 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2dax h GLN 9 N 0.00 0.28 -0.46 3.44 4.15 -1.96 0.19 115.11 120.76 2dax h GLN 9 Ca -0.50 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 58.93 2dax h GLN 9 Cb 2.16 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 29.75 2dax h GLN 9 CO 0.03 0.19 0.26 0.00 -1.93 0.00 0.00 178.83 177.37 2dax h ALA 10 N 1.45 0.58 -0.31 3.38 0.00 -1.91 -2.76 119.26 119.70 2dax h ALA 10 Ca 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2dax h ALA 10 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2dax h ALA 10 CO -0.37 -0.07 0.06 0.93 0.00 0.00 0.00 179.25 179.80 2dax h GLU 11 N 0.51 0.50 -0.54 0.00 5.08 -1.47 -3.20 114.58 115.46 2dax h GLU 11 Ca 0.19 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2dax h GLU 11 Cb 0.05 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 2dax h GLU 11 CO -0.11 0.59 -0.32 0.00 -1.00 0.00 0.00 179.01 178.17 2dax n ALA 12 N -2.33 -0.35 -0.00 3.43 0.00 0.58 -0.09 120.51 121.76 2dax n ALA 12 Ca -0.02 0.46 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 2dax n ALA 12 Cb 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.34 -0.03 0.00 4.20 -1.59 -2.76 115.11 114.60 2dax h GLN 13 Ca 0.09 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.84 2dax h GLN 13 Cb 0.22 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 2dax h GLN 13 CO -0.51 -0.22 -0.51 1.25 -0.67 0.00 0.00 178.83 178.17 2dax h LEU 14 N -0.35 -1.58 -0.73 1.46 5.85 -0.69 -2.30 115.31 116.97 2dax h LEU 14 Ca 0.10 0.18 0.09 0.00 0.84 0.00 0.00 57.88 59.09 2dax h LEU 14 Cb 0.51 0.60 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 2dax h LEU 14 CO -0.34 -0.48 -0.36 0.00 -0.34 0.00 0.00 178.44 176.92 2dax n ALA 15 N -2.95 -0.29 0.11 1.25 0.00 0.88 -0.54 120.51 118.98 2dax n ALA 15 Ca -0.07 0.67 -0.13 0.00 0.00 0.00 0.00 53.44 53.92 2dax n ALA 15 Cb 0.37 -0.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.59 -0.56 0.00 4.57 -1.26 -0.23 114.58 116.51 2dax h GLU 16 Ca 0.18 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.49 2dax h GLU 16 Cb 0.37 0.13 -0.11 0.00 -0.16 0.00 0.00 28.75 28.98 2dax h GLU 16 CO -0.71 -0.40 -0.41 -0.07 -1.18 0.00 0.00 179.01 176.25 2dax h LEU 17 N -0.62 -1.39 -0.85 1.64 3.38 -0.45 0.33 115.31 117.35 2dax h LEU 17 Ca -0.01 0.24 0.16 0.00 0.09 0.00 0.00 57.88 58.35 2dax h LEU 17 Cb 0.60 0.64 -0.10 0.00 0.09 0.00 0.00 40.66 41.89 2dax h LEU 17 CO -0.19 -0.33 0.41 -0.78 0.09 0.00 0.00 178.44 177.64 2dax h ASP 18 N -0.22 0.46 0.63 -0.43 1.82 -0.62 -2.45 116.42 115.61 2dax h ASP 18 Ca 0.19 0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.90 2dax h ASP 18 Cb 0.56 0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.62 2dax h ASP 18 CO -0.67 0.17 -0.30 0.25 -1.61 0.00 0.00 179.24 177.07 2dax h LEU 19 N 0.56 -0.72 -0.82 2.28 5.85 0.12 -3.21 115.31 119.37 2dax h LEU 19 Ca 0.48 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.32 2dax h LEU 19 Cb 0.73 0.19 -0.13 0.00 0.37 0.00 0.00 40.66 41.82 2dax h LEU 19 CO -0.40 -0.34 -0.34 0.18 -0.34 0.00 0.00 178.44 177.20 2dax n LEU 20 N -5.35 -0.57 -0.23 2.25 4.77 0.84 0.11 117.00 118.82 2dax n LEU 20 Ca -0.11 1.43 0.03 0.00 -0.03 0.00 0.00 56.01 57.32 2dax n LEU 20 Cb 0.35 -0.31 0.12 0.00 -2.33 0.00 0.00 43.42 41.25 2dax n LEU 20 CO 0.28 -1.27 0.81 0.00 -1.33 0.00 0.00 177.39 175.88 2dax h ALA 21 N 1.04 0.65 -0.34 -1.18 0.00 -1.49 0.63 119.26 118.58 2dax h ALA 21 Ca 0.27 0.23 -0.16 0.00 0.00 0.00 0.00 54.91 55.24 2dax h ALA 21 Cb 0.47 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2dax h ALA 21 CO -0.81 -0.41 -0.41 0.66 0.00 0.00 0.00 179.25 178.28 2dax h SER 22 N 0.09 0.91 -0.84 0.00 4.64 0.80 -3.11 113.55 116.03 2dax h SER 22 Ca 0.36 -0.42 0.06 0.00 -0.47 0.00 0.00 61.79 61.32 2dax h SER 22 Cb 0.60 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 62.38 2dax h SER 22 CO -0.62 1.19 0.52 0.24 -0.87 0.00 0.00 176.83 177.29 2dax h MET 23 N 0.69 0.91 -2.96 4.77 2.07 0.16 -3.19 114.93 117.38 2dax h MET 23 Ca 0.05 -0.05 -0.73 0.00 -2.07 0.00 0.00 59.70 56.89 2dax h MET 23 Cb 0.99 -0.21 -0.33 0.00 -1.87 0.00 0.00 31.60 30.18 2dax h MET 23 CO 0.09 0.60 0.20 1.19 1.07 0.00 0.00 176.91 180.07 2dax n PHE 24 N -4.64 3.51 0.26 -0.22 3.72 -0.04 -4.84 117.46 115.22 2dax n PHE 24 Ca 0.12 -3.53 0.15 0.00 -0.05 0.00 0.00 57.45 54.14 2dax n PHE 24 Cb 0.19 -1.14 0.65 0.00 -0.94 0.00 0.00 39.48 38.24 2dax n PHE 24 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2dax h PRO 25 N 5.48 0.00 -6.91 -1.08 0.13 -1.64 -3.45 132.00 124.53 2dax h PRO 25 Ca 0.19 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.83 2dax h PRO 25 Cb 0.71 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.06 2dax h PRO 25 CO 1.05 0.07 -0.48 0.41 -0.23 0.00 0.00 178.00 178.83 2dax n GLY 26 N -0.03 -1.89 3.83 1.56 0.00 -1.26 -4.97 105.19 102.42 2dax n GLY 26 Ca 0.00 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 2dax n GLY 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dax s GLU 27 N -3.91 4.06 -1.19 1.61 -1.05 -1.26 -4.23 118.70 112.73 2dax s GLU 27 Ca 0.61 0.58 -0.01 0.00 -0.15 0.00 0.00 54.97 55.99 2dax s GLU 27 Cb -0.20 -3.09 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 2dax s GLU 27 CO 0.65 0.57 0.99 0.09 0.95 0.00 0.00 175.26 178.51 2dax n ASN 28 N 1.28 -2.55 -0.02 0.83 4.13 -1.26 -4.93 115.26 112.75 2dax n ASN 28 Ca -0.08 -0.59 -0.02 0.00 1.68 0.00 0.00 54.58 55.56 2dax n ASN 28 Cb 0.51 -4.99 -0.02 0.00 -1.54 0.00 0.00 39.78 33.75 2dax n ASN 28 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2dax n GLU 29 N -4.15 0.51 -3.74 3.52 -0.00 -1.26 -4.56 120.64 110.96 2dax n GLU 29 Ca -0.25 0.02 -0.13 0.00 -0.00 0.00 0.00 57.16 56.80 2dax n GLU 29 Cb 0.65 -1.07 -0.14 0.00 -0.00 0.00 0.00 31.44 30.88 2dax n GLU 29 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2dax s LEU 30 N -5.08 0.65 -0.13 -1.84 0.20 -1.26 0.12 118.68 111.34 2dax s LEU 30 Ca -0.04 0.34 -0.01 0.00 0.69 0.00 0.00 54.13 55.11 2dax s LEU 30 Cb 0.01 0.43 0.03 0.00 -0.43 0.00 0.00 46.19 46.23 2dax s LEU 30 CO 0.08 -0.15 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.32 2dax s ILE 31 N 1.21 0.87 -0.75 6.68 1.09 0.11 -5.01 121.20 125.40 2dax s ILE 31 Ca -0.09 -0.35 -0.18 0.00 -1.10 0.00 0.00 60.65 58.93 2dax s ILE 31 Cb -0.11 -1.02 0.14 0.00 -1.06 0.00 0.00 42.46 40.40 2dax s ILE 31 CO -0.06 0.21 0.85 -0.69 -0.10 0.00 0.00 174.94 175.14 2dax s VAL 32 N 1.75 4.99 0.03 2.92 1.01 -1.26 -1.43 120.40 128.41 2dax s VAL 32 Ca 0.03 -1.53 -0.25 0.00 0.00 0.00 0.00 61.98 60.22 2dax s VAL 32 Cb -0.14 -4.58 -0.17 0.00 0.00 0.00 0.00 36.38 31.49 2dax s VAL 32 CO -0.07 -1.22 1.45 0.78 0.00 0.00 0.00 175.10 176.03 2dax h ASN 33 N 8.73 -0.13 0.00 3.32 2.35 -1.94 -3.28 115.58 124.63 2dax h ASN 33 Ca -0.06 -0.21 -0.59 0.00 -0.55 0.00 0.00 56.30 54.89 2dax h ASN 33 Cb 1.06 0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.47 2dax h ASN 33 CO 1.02 0.14 3.02 -0.67 -1.65 0.00 0.00 177.43 179.28 2dax n ASP 34 N -5.04 5.26 0.22 5.81 -0.08 -1.08 -4.59 116.55 117.04 2dax n ASP 34 Ca -0.09 -2.58 0.07 0.00 -1.51 0.00 0.00 54.79 50.68 2dax n ASP 34 Cb 0.18 -1.36 0.50 0.00 2.34 0.00 0.00 41.12 42.79 2dax n ASP 34 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2dax h GLN 35 N 6.21 0.00 -0.48 -0.67 4.20 -1.86 -2.68 115.11 119.82 2dax h GLN 35 Ca 0.60 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.26 2dax h GLN 35 Cb 0.41 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2dax h GLN 35 CO 1.75 0.26 0.08 1.25 -0.67 0.00 0.00 178.83 181.49 2dax h LEU 36 N 0.00 0.70 0.06 1.46 5.85 -1.93 -2.42 115.31 119.04 2dax h LEU 36 Ca -0.00 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2dax h LEU 36 Cb 0.54 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2dax h LEU 36 CO 0.03 0.73 -0.03 0.00 -0.34 0.00 0.00 178.44 178.83 2dax h ALA 37 N 1.36 -0.08 -0.92 1.25 0.00 -1.76 -2.57 119.26 116.53 2dax h ALA 37 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dax h ALA 37 Cb 0.33 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2dax h ALA 37 CO 0.00 -0.53 0.61 0.28 0.00 0.00 0.00 179.25 179.62 2dax h VAL 38 N -0.12 1.22 -0.90 0.00 2.07 -1.58 -2.18 116.25 114.76 2dax h VAL 38 Ca -0.01 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.16 2dax h VAL 38 Cb 0.10 -0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 29.68 2dax h VAL 38 CO 0.01 0.22 0.56 0.00 0.02 0.00 0.00 177.57 178.39 2dax h ALA 39 N 1.43 1.24 -0.39 1.67 0.00 -1.15 -1.02 119.26 121.05 2dax h ALA 39 Ca 0.34 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2dax h ALA 39 Cb -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2dax h ALA 39 CO -0.08 0.30 0.07 0.93 0.00 0.00 0.00 179.25 180.47 2dax h GLU 40 N 1.00 0.64 0.88 0.00 5.08 -1.01 -2.36 114.58 118.80 2dax h GLU 40 Ca 0.40 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2dax h GLU 40 Cb 0.20 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.38 2dax h GLU 40 CO -0.18 0.68 -0.42 1.25 -1.00 0.00 0.00 179.01 179.34 2dax h LEU 41 N 0.49 -1.00 -0.99 1.33 5.85 -1.08 0.18 115.31 120.10 2dax h LEU 41 Ca 0.12 0.03 0.23 0.00 0.84 0.00 0.00 57.88 59.11 2dax h LEU 41 Cb 0.35 0.26 -0.12 0.00 0.37 0.00 0.00 40.66 41.51 2dax h LEU 41 CO 0.01 -0.71 0.58 0.11 -0.34 0.00 0.00 178.44 178.08 2dax h LYS 42 N -1.18 0.58 0.25 1.25 1.57 -1.24 -1.64 116.57 116.16 2dax h LYS 42 Ca -0.12 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2dax h LYS 42 Cb 0.90 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2dax h LYS 42 CO 0.20 0.38 -0.12 0.22 -0.57 0.00 0.00 179.45 179.56 2dax h ASP 43 N 0.59 -0.29 -0.88 0.86 3.58 -1.14 -3.18 116.42 115.97 2dax h ASP 43 Ca 0.63 -0.24 0.11 0.00 0.42 0.00 0.00 57.03 57.94 2dax h ASP 43 Cb 1.15 0.07 -0.12 0.00 1.72 0.00 0.00 39.33 42.15 2dax h ASP 43 CO -0.47 0.16 -0.42 0.00 -2.88 0.00 0.00 179.24 175.63 2dax h ILE 45 N 0.00 0.63 -0.10 0.00 2.04 -1.55 0.16 117.51 118.69 2dax h ILE 45 Ca 0.23 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 2dax h ILE 45 Cb 0.45 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2dax h ILE 45 CO -0.85 0.05 0.05 -0.33 0.00 0.00 0.00 178.15 177.07 2dax h GLU 46 N 0.30 0.14 0.00 2.37 5.08 0.48 -2.03 114.58 120.92 2dax h GLU 46 Ca 0.35 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2dax h GLU 46 Cb 0.53 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2dax h GLU 46 CO -0.42 0.22 0.00 0.87 -1.00 0.00 0.00 179.01 178.68 2dax h LYS 47 N 0.03 0.00 -5.84 2.33 1.57 0.23 -3.46 116.57 111.44 2dax h LYS 47 Ca 0.03 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.43 2dax h LYS 47 Cb 0.12 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.57 2dax h LYS 47 CO -0.00 0.00 -0.72 1.63 -0.57 0.00 0.00 179.45 179.78 2dax n LYS 48 N -2.54 -7.22 0.00 3.15 5.02 0.47 -4.87 118.16 112.16 2dax n LYS 48 Ca -0.00 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 2dax n LYS 48 Cb 0.15 -5.82 0.00 0.00 -0.02 0.00 0.00 35.03 29.35 2dax n LYS 48 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2dax n THR 49 N -4.68 0.00 -3.61 -0.18 5.66 -1.16 -5.02 114.28 105.29 2dax n THR 49 Ca -0.10 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.67 2dax n THR 49 Cb 0.60 -0.26 -0.06 0.00 -1.55 0.00 0.00 70.33 69.06 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 -1.78 -0.91 0.27 1.09 0.00 -1.24 -4.65 117.12 109.90 2dax n MET 50 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 57.70 57.88 2dax n MET 50 Cb 0.22 -2.58 0.58 0.00 0.00 0.00 0.00 33.22 31.44 2dax n MET 50 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 2dax h GLU 51 N -0.72 0.00 0.00 3.17 9.09 -1.95 -3.45 114.58 120.72 2dax h GLU 51 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.00 2dax h GLU 51 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 2dax h GLU 51 CO 0.50 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.97 2dax n GLY 52 N -1.26 3.99 3.82 1.06 0.00 -1.26 -5.10 105.19 106.44 2dax n GLY 52 Ca -0.01 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 2dax n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dax s ARG 53 N -5.84 4.16 -0.24 1.61 0.52 -1.26 -5.00 118.95 112.91 2dax s ARG 53 Ca 0.00 0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 55.91 2dax s ARG 53 Cb 0.00 -3.01 -0.18 0.00 0.52 0.00 0.00 34.95 32.28 2dax s ARG 53 CO 0.00 0.50 -0.14 0.45 0.02 0.00 0.00 175.30 176.12 2dax n SER 54 N 1.05 2.00 -4.66 0.23 2.88 -1.26 -4.90 113.62 108.96 2dax n SER 54 Ca -0.06 -0.02 -0.42 0.00 -1.33 0.00 0.00 58.87 57.05 2dax n SER 54 Cb 0.51 -0.54 -0.04 0.00 -0.75 0.00 0.00 64.21 63.39 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 -6.72 6.94 0.59 -3.46 0.01 -1.26 -5.04 113.70 104.76 2dax s SER 55 Ca -0.33 1.16 -0.16 0.00 1.31 0.00 0.00 55.95 57.92 2dax s SER 55 Cb 0.09 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 2dax s SER 55 CO 0.61 -0.47 1.08 -0.54 0.41 0.00 0.00 173.24 174.33 2dax s LYS 56 N 2.48 3.24 -0.78 12.44 1.02 -1.26 -4.72 119.74 132.16 2dax s LYS 56 Ca 0.38 1.32 -0.24 0.00 0.02 0.00 0.00 55.97 57.45 2dax s LYS 56 Cb -0.16 -2.01 0.06 0.00 -0.52 0.00 0.00 37.83 35.19 2dax s LYS 56 CO 0.10 -0.89 1.20 0.08 -0.92 0.00 0.00 175.35 174.92 2dax s VAL 57 N -2.29 4.03 -0.21 3.17 1.01 -1.24 -4.76 120.40 120.12 2dax s VAL 57 Ca 0.66 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.30 2dax s VAL 57 Cb -0.18 -4.86 -0.04 0.00 0.00 0.00 0.00 36.38 31.30 2dax s VAL 57 CO 0.35 -1.72 0.30 -0.47 0.00 0.00 0.00 175.10 173.57 2dax s TYR 58 N 4.82 3.37 -0.19 5.22 5.04 -1.26 -3.07 117.35 131.27 2dax s TYR 58 Ca 0.33 0.49 -0.12 0.00 -2.44 0.00 0.00 57.07 55.32 2dax s TYR 58 Cb -0.09 -2.41 0.06 0.00 0.35 0.00 0.00 41.96 39.87 2dax s TYR 58 CO 0.07 0.06 0.48 -0.59 -1.34 0.00 0.00 175.55 174.23 2dax s PHE 59 N 1.08 -0.69 0.08 4.97 -0.71 -1.15 -2.65 117.98 118.91 2dax s PHE 59 Ca 0.15 1.46 -0.01 0.00 -1.04 0.00 0.00 56.93 57.49 2dax s PHE 59 Cb -0.14 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 2dax s PHE 59 CO 0.06 -0.37 0.25 0.99 -1.34 0.00 0.00 175.22 174.81 2dax s THR 60 N 1.27 5.33 -0.15 -4.49 2.01 -0.51 -2.07 115.64 117.04 2dax s THR 60 Ca -0.08 -0.28 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 2dax s THR 60 Cb -0.07 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.84 2dax s THR 60 CO -0.12 0.11 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.19 2dax s ILE 61 N -1.55 1.32 -0.44 1.82 1.01 -1.18 -0.71 121.20 121.47 2dax s ILE 61 Ca 0.37 -0.56 -0.22 0.00 0.00 0.00 0.00 60.65 60.24 2dax s ILE 61 Cb -0.13 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.04 2dax s ILE 61 CO 0.27 0.34 0.70 0.20 0.00 0.00 0.00 174.94 176.45 2dax s ASN 62 N 1.58 6.36 -0.23 3.58 0.01 0.33 -2.60 114.94 123.96 2dax s ASN 62 Ca 0.04 -0.22 -0.05 0.00 -0.71 0.00 0.00 52.86 51.92 2dax s ASN 62 Cb -0.13 -2.34 -0.01 0.00 0.41 0.00 0.00 41.25 39.17 2dax s ASN 62 CO -0.09 -0.82 -0.02 -0.04 -1.51 0.00 0.00 177.10 174.63 2dax s MET 63 N 2.98 3.43 -0.23 -0.60 -1.94 -1.02 -4.45 119.30 117.48 2dax s MET 63 Ca 0.25 -0.60 -0.21 0.00 -1.71 0.00 0.00 55.69 53.42 2dax s MET 63 Cb -0.13 -3.09 -0.02 0.00 2.01 0.00 0.00 34.83 33.60 2dax s MET 63 CO 0.20 -0.20 0.67 -0.80 -0.01 0.00 0.00 175.02 174.87 2dax s ASN 64 N 1.51 6.67 -0.03 3.03 -0.87 -1.26 -2.20 114.94 121.79 2dax s ASN 64 Ca 0.06 0.83 -0.13 0.00 -1.57 0.00 0.00 52.86 52.05 2dax s ASN 64 Cb -0.14 -2.36 0.02 0.00 -0.02 0.00 0.00 41.25 38.74 2dax s ASN 64 CO -0.02 -0.36 0.28 -0.76 -2.57 0.00 0.00 177.10 173.67 2dax s LEU 65 N 2.31 0.98 0.43 0.60 1.43 -1.14 -5.01 118.68 118.28 2dax s LEU 65 Ca 0.29 0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 53.27 2dax s LEU 65 Cb -0.16 1.12 -0.08 0.00 0.03 0.00 0.00 46.19 47.10 2dax s LEU 65 CO 0.09 -0.38 1.08 1.51 0.23 0.00 0.00 176.35 178.88 2dax s ASP 66 N -1.11 6.51 0.00 2.29 -4.77 -1.26 -1.96 116.67 116.38 2dax s ASP 66 Ca -0.12 2.08 0.00 0.00 -3.30 0.00 0.00 52.55 51.21 2dax s ASP 66 Cb -0.05 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 2dax s ASP 66 CO 0.03 -0.67 0.00 1.33 0.70 0.00 0.00 175.17 176.57 2dax n VAL 67 N -0.38 0.00 -3.64 2.11 0.24 -1.03 -4.87 118.33 110.75 2dax n VAL 67 Ca 0.07 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.38 2dax n VAL 67 Cb 0.50 -1.20 -0.00 0.00 -1.47 0.00 0.00 33.84 31.67 2dax n VAL 67 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dax s SER 68 N -4.80 -0.06 -1.32 -1.34 0.15 -1.25 -5.02 113.70 100.07 2dax s SER 68 Ca 0.00 -0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.46 2dax s SER 68 Cb 0.00 0.18 -0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2dax s SER 68 CO 0.00 -0.33 0.59 0.47 1.20 0.00 0.00 173.24 175.18 2dax n ASP 69 N -0.52 -1.57 -2.11 5.45 8.00 -1.26 -0.64 116.55 123.90 2dax n ASP 69 Ca -0.08 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.49 2dax n ASP 69 Cb 0.63 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 2dax n ASP 69 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2dax n GLU 70 N -4.29 -2.53 -4.37 -1.24 1.02 -1.26 -4.84 120.64 103.13 2dax n GLU 70 Ca -0.27 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.58 2dax n GLU 70 Cb 0.67 -4.05 -0.06 0.00 -0.02 0.00 0.00 31.44 27.98 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2dax s LYS 71 N -4.14 2.20 0.14 3.49 1.02 0.19 -5.07 119.74 117.56 2dax s LYS 71 Ca 0.00 -2.17 -0.07 0.00 0.02 0.00 0.00 55.97 53.76 2dax s LYS 71 Cb 0.00 -1.79 -0.02 0.00 -0.52 0.00 0.00 37.83 35.50 2dax s LYS 71 CO 0.00 -0.37 0.19 0.00 -0.92 0.00 0.00 175.35 174.25 2dax s MET 72 N -3.99 1.01 0.15 1.68 0.23 -1.26 -2.48 119.30 114.64 2dax s MET 72 Ca 0.23 -1.20 -0.04 0.00 -1.03 0.00 0.00 55.69 53.65 2dax s MET 72 Cb 0.01 0.33 -0.03 0.00 -1.53 0.00 0.00 34.83 33.61 2dax s MET 72 CO 0.13 -0.34 0.14 0.00 -2.03 0.00 0.00 175.02 172.93 2dax s ALA 73 N -3.96 0.59 -0.08 3.16 0.00 -0.83 -4.91 121.76 115.72 2dax s ALA 73 Ca 0.16 -1.29 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 2dax s ALA 73 Cb 0.05 0.91 -0.05 0.00 0.00 0.00 0.00 23.12 24.03 2dax s ALA 73 CO -0.02 -0.56 0.28 -1.64 0.00 0.00 0.00 175.76 173.82 2dax s MET 74 N -4.03 3.81 -0.21 0.00 -1.94 -1.26 -2.88 119.30 112.78 2dax s MET 74 Ca 0.23 0.14 -0.00 0.00 -1.71 0.00 0.00 55.69 54.34 2dax s MET 74 Cb 0.06 -3.25 0.02 0.00 2.01 0.00 0.00 34.83 33.67 2dax s MET 74 CO 0.02 0.63 -0.13 -0.06 -0.01 0.00 0.00 175.02 175.47 2dax s PHE 75 N -0.74 2.93 -0.15 -0.03 0.40 -0.94 -4.69 117.98 114.76 2dax s PHE 75 Ca 0.19 -1.58 -0.21 0.00 -0.60 0.00 0.00 56.93 54.73 2dax s PHE 75 Cb -0.14 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 2dax s PHE 75 CO 0.08 -0.75 0.60 -1.12 0.70 0.00 0.00 175.22 174.72 2dax s SER 76 N 1.31 6.74 -0.48 1.36 0.01 -0.70 -2.44 113.70 119.51 2dax s SER 76 Ca 0.03 0.89 0.02 0.00 1.31 0.00 0.00 55.95 58.20 2dax s SER 76 Cb -0.15 -2.34 0.13 0.00 0.21 0.00 0.00 66.02 63.86 2dax s SER 76 CO -0.09 -0.17 0.23 -0.76 0.41 0.00 0.00 173.24 172.86 2dax s LEU 77 N 1.35 4.71 -0.80 2.44 1.02 -1.07 -1.03 118.68 125.30 2dax s LEU 77 Ca 0.30 -2.64 -0.25 0.00 0.02 0.00 0.00 54.13 51.55 2dax s LEU 77 Cb -0.16 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 2dax s LEU 77 CO 0.12 -0.33 1.81 0.00 0.02 0.00 0.00 176.35 177.97 2dax s ALA 78 N 0.23 2.04 -0.34 4.21 0.00 -0.93 -3.12 121.76 123.85 2dax s ALA 78 Ca 0.14 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 2dax s ALA 78 Cb -0.23 -4.44 -0.01 0.00 0.00 0.00 0.00 23.12 18.44 2dax s ALA 78 CO -0.03 -4.24 0.43 0.00 0.00 0.00 0.00 175.76 171.91 2dax s ILE 80 N 2.18 2.24 -0.28 0.00 1.01 -1.25 -2.95 121.20 122.15 2dax s ILE 80 Ca 0.15 -0.97 -0.19 0.00 0.00 0.00 0.00 60.65 59.64 2dax s ILE 80 Cb -0.16 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2dax s ILE 80 CO 0.12 0.45 0.55 -0.76 0.00 0.00 0.00 174.94 175.30 2dax s LEU 81 N 1.29 4.10 0.00 2.97 1.43 -1.17 -1.54 118.68 125.76 2dax s LEU 81 Ca 0.03 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.58 2dax s LEU 81 Cb -0.14 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.40 2dax s LEU 81 CO -0.11 -0.35 0.06 -0.81 0.23 0.00 0.00 176.35 175.37 2dax n PRO 82 N 5.65 -1.15 0.11 1.29 -0.04 -1.26 -3.60 135.00 136.00 2dax n PRO 82 Ca -0.03 -0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.44 2dax n PRO 82 Cb 0.49 -0.09 0.01 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.58 0.00 0.03 0.54 0.04 -1.94 -3.36 116.94 110.67 2dax h PHE 83 Ca -0.02 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.62 2dax h PHE 83 Cb 0.07 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.23 2dax h PHE 83 CO 0.00 0.04 -0.50 0.87 -0.60 0.00 0.00 178.31 178.12 2dax h LYS 84 N 0.00 0.28 -1.91 1.51 1.57 -1.93 -3.47 116.57 112.61 2dax h LYS 84 Ca -0.01 -0.34 -0.21 0.00 -1.87 0.00 0.00 60.65 58.22 2dax h LYS 84 Cb 1.04 0.11 0.04 0.00 0.08 0.00 0.00 32.23 33.49 2dax h LYS 84 CO 0.00 1.07 -0.20 0.98 -0.57 0.00 0.00 179.45 180.74 2dax n TYR 85 N -4.31 -0.27 0.48 -1.35 9.36 -1.25 -1.67 117.16 118.15 2dax n TYR 85 Ca -0.11 0.29 0.07 0.00 3.32 0.00 0.00 57.90 61.47 2dax n TYR 85 Cb 0.64 -0.61 0.32 0.00 -0.63 0.00 0.00 39.34 39.06 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 0.34 0.02 0.00 2.98 -0.04 -1.26 -4.85 135.00 132.19 2dax n PRO 86 Ca 0.05 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2dax n PRO 86 Cb 0.09 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 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 -1.53 0.00 -2.66 0.55 0.00 -0.67 -3.98 120.51 112.22 2dax n ALA 87 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.10 2dax n ALA 87 Cb 0.17 0.18 -0.09 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 -1.67 5.32 0.99 0.00 -7.23 -1.26 -4.37 120.40 112.17 2dax s VAL 88 Ca 0.00 0.33 -0.17 0.00 -1.81 0.00 0.00 61.98 60.32 2dax s VAL 88 Cb 0.00 -3.56 -0.11 0.00 0.56 0.00 0.00 36.38 33.26 2dax s VAL 88 CO 0.00 0.32 -0.64 0.18 -0.31 0.00 0.00 175.10 174.65 2dax n LEU 89 N 4.33 -4.53 0.00 1.32 4.77 -1.26 -3.87 117.00 117.77 2dax n LEU 89 Ca -0.13 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 55.99 2dax n LEU 89 Cb 0.52 -0.82 0.03 0.00 -2.33 0.00 0.00 43.42 40.82 2dax n LEU 89 CO 0.36 -5.14 0.08 -0.81 -1.33 0.00 0.00 177.39 170.55 2dax n PRO 90 N 1.57 -1.29 -2.99 3.23 -0.04 -1.26 -4.80 135.00 129.42 2dax n PRO 90 Ca -0.00 -0.22 -0.24 0.00 -0.04 0.00 0.00 63.50 63.00 2dax n PRO 90 Cb 0.58 -0.21 -0.03 0.00 -0.04 0.00 0.00 33.50 33.80 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 -1.93 2.54 -2.04 0.54 1.02 -0.59 -4.97 120.64 115.21 2dax n GLU 91 Ca 0.02 -4.38 -0.42 0.00 -0.02 0.00 0.00 57.16 52.36 2dax n GLU 91 Cb 0.07 -2.06 -0.03 0.00 -0.02 0.00 0.00 31.44 29.40 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 -3.89 3.15 -0.32 -3.67 1.01 -1.25 -3.91 121.20 112.32 2dax s ILE 92 Ca 0.46 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.84 2dax s ILE 92 Cb 0.31 -3.44 0.09 0.00 0.01 0.00 0.00 42.46 39.43 2dax s ILE 92 CO -0.12 0.02 0.02 -0.89 0.00 0.00 0.00 174.94 173.97 2dax s THR 93 N 2.01 2.16 0.06 2.92 2.01 -0.19 -4.93 115.64 119.69 2dax s THR 93 Ca 0.69 -2.12 -0.31 0.00 0.31 0.00 0.00 61.69 60.26 2dax s THR 93 Cb -0.38 -2.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.54 2dax s THR 93 CO 0.30 -0.48 1.23 -0.69 -0.69 0.00 0.00 174.62 174.30 2dax s VAL 94 N 0.99 3.93 -0.03 3.82 1.01 -1.26 -2.20 120.40 126.67 2dax s VAL 94 Ca 0.06 1.38 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 2dax s VAL 94 Cb -0.19 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.34 2dax s VAL 94 CO -0.08 0.10 0.06 -0.13 0.00 0.00 0.00 175.10 175.04 2dax s ARG 95 N 1.17 -0.02 -0.14 2.72 1.81 -0.20 -4.92 118.95 119.38 2dax s ARG 95 Ca 0.60 0.25 -0.08 0.00 -1.72 0.00 0.00 55.73 54.77 2dax s ARG 95 Cb -0.30 -0.26 0.05 0.00 -0.45 0.00 0.00 34.95 33.99 2dax s ARG 95 CO 0.29 -0.19 0.35 0.45 -0.68 0.00 0.00 175.30 175.52 2dax s SER 96 N 1.22 -0.41 0.39 0.23 0.15 -1.26 -1.71 113.70 112.30 2dax s SER 96 Ca -0.08 0.75 0.19 0.00 0.70 0.00 0.00 55.95 57.51 2dax s SER 96 Cb -0.13 0.64 1.14 0.00 -1.71 0.00 0.00 66.02 65.96 2dax s SER 96 CO -0.04 -0.18 1.74 0.58 1.20 0.00 0.00 173.24 176.54 2dax h VAL 97 N 5.57 0.44 0.33 4.45 2.07 -2.01 -0.77 116.25 126.32 2dax h VAL 97 Ca -0.37 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2dax h VAL 97 Cb 1.17 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2dax h VAL 97 CO 0.32 0.06 -0.16 -0.07 0.02 0.00 0.00 177.57 177.75 2dax h LEU 98 N 0.35 -0.37 -9.04 2.57 4.07 -1.95 -3.42 115.31 107.53 2dax h LEU 98 Ca 0.65 -0.16 -0.59 0.00 0.08 0.00 0.00 57.88 57.86 2dax h LEU 98 Cb 1.67 0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.51 2dax h LEU 98 CO -0.35 -0.02 1.43 0.18 -1.08 0.00 0.00 178.44 178.59 2dax n LEU 99 N -5.15 3.37 -4.74 1.67 4.77 -0.30 -4.93 117.00 111.70 2dax n LEU 99 Ca -0.10 0.38 -0.35 0.00 -0.03 0.00 0.00 56.01 55.91 2dax n LEU 99 Cb 0.27 -1.52 0.07 0.00 -2.33 0.00 0.00 43.42 39.90 2dax n LEU 99 CO 0.31 -0.50 0.83 -0.44 -1.33 0.00 0.00 177.39 176.26 2dax s SER 100 N 7.36 4.67 0.30 -1.43 0.01 -1.26 -4.51 113.70 118.85 2dax s SER 100 Ca 0.99 2.39 -0.00 0.00 1.31 0.00 0.00 55.95 60.63 2dax s SER 100 Cb -0.40 -2.59 0.69 0.00 0.21 0.00 0.00 66.02 63.92 2dax s SER 100 CO 0.38 -1.94 1.57 -0.09 0.41 0.00 0.00 173.24 173.57 2dax h ARG 101 N 0.28 0.01 0.41 12.44 1.12 -1.93 0.19 114.38 126.89 2dax h ARG 101 Ca -0.49 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.36 2dax h ARG 101 Cb 1.30 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.26 2dax h ARG 101 CO 0.52 0.01 -0.20 0.66 -3.11 0.00 0.00 179.97 177.85 2dax h SER 102 N 0.01 -0.47 -0.29 -3.80 4.64 -2.01 -3.05 113.55 108.58 2dax h SER 102 Ca 0.57 -0.11 0.04 0.00 -0.47 0.00 0.00 61.79 61.82 2dax h SER 102 Cb 1.12 0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 63.27 2dax h SER 102 CO -0.93 -0.06 -0.44 1.56 -0.87 0.00 0.00 176.83 176.09 2dax h GLN 103 N -0.99 -0.32 -0.92 4.77 4.20 -1.42 -1.76 115.11 118.67 2dax h GLN 103 Ca -0.06 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.80 2dax h GLN 103 Cb 0.55 0.07 -0.14 0.00 0.30 0.00 0.00 27.48 28.26 2dax h GLN 103 CO 0.09 -0.22 -0.44 0.37 -0.67 0.00 0.00 178.83 177.97 2dax h GLN 104 N -0.34 -0.04 -0.87 1.46 5.75 -0.83 -0.29 115.11 119.96 2dax h GLN 104 Ca 0.05 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.64 2dax h GLN 104 Cb 0.48 0.01 -0.12 0.00 1.07 0.00 0.00 27.48 28.92 2dax h GLN 104 CO -0.45 -0.03 -0.56 1.15 -2.65 0.00 0.00 178.83 176.29 2dax h THR 105 N -0.04 0.00 -0.67 2.39 2.02 -1.20 0.30 112.91 115.70 2dax h THR 105 Ca 0.28 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.59 2dax h THR 105 Cb 0.55 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.87 2dax h THR 105 CO -0.92 0.00 0.18 -0.61 0.37 0.00 0.00 175.52 174.54 2dax h GLN 106 N -0.09 0.30 0.60 6.66 5.75 -0.84 -1.86 115.11 125.63 2dax h GLN 106 Ca 0.16 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 2dax h GLN 106 Cb 0.47 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 2dax h GLN 106 CO -0.87 0.20 -0.44 1.25 -2.65 0.00 0.00 178.83 176.33 2dax h LEU 107 N 0.31 -1.14 -0.46 -2.39 6.46 0.10 -2.81 115.31 115.38 2dax h LEU 107 Ca 0.36 0.08 0.06 0.00 -0.12 0.00 0.00 57.88 58.27 2dax h LEU 107 Cb 0.57 0.35 -0.09 0.00 -0.73 0.00 0.00 40.66 40.76 2dax h LEU 107 CO -0.43 -0.64 -0.50 0.78 -0.62 0.00 0.00 178.44 177.03 2dax h ASN 108 N -1.00 -1.69 -1.01 1.25 2.35 -0.41 0.24 115.58 115.31 2dax h ASN 108 Ca -0.07 0.24 0.37 0.00 -0.55 0.00 0.00 56.30 56.29 2dax h ASN 108 Cb 0.83 0.72 -0.16 0.00 0.05 0.00 0.00 38.32 39.76 2dax h ASN 108 CO 0.03 -0.38 0.57 0.74 -1.65 0.00 0.00 177.43 176.74 2dax h THR 109 N -0.34 0.17 0.14 2.81 2.02 -1.26 -0.38 112.91 116.07 2dax h THR 109 Ca 0.11 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2dax h THR 109 Cb 0.58 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2dax h THR 109 CO -0.62 0.03 -0.07 0.44 0.37 0.00 0.00 175.52 175.68 2dax h ASP 110 N 0.19 -0.15 -0.93 4.18 5.19 -0.40 -2.93 116.42 121.56 2dax h ASP 110 Ca 0.78 -0.31 0.15 0.00 -0.62 0.00 0.00 57.03 57.03 2dax h ASP 110 Cb 1.94 0.04 -0.15 0.00 0.18 0.00 0.00 39.33 41.34 2dax h ASP 110 CO -0.66 0.43 -0.35 -0.11 -3.12 0.00 0.00 179.24 175.43 2dax n LEU 111 N -4.87 -0.58 0.03 1.55 7.94 0.38 -0.04 117.00 121.41 2dax n LEU 111 Ca -0.06 1.62 -0.12 0.00 -1.11 0.00 0.00 56.01 56.34 2dax n LEU 111 Cb 0.22 -0.38 -0.07 0.00 0.53 0.00 0.00 43.42 43.72 2dax n LEU 111 CO 0.19 -1.46 0.85 0.74 -1.11 0.00 0.00 177.39 176.59 2dax h THR 112 N 0.00 1.04 -0.54 1.96 2.02 -1.43 -3.02 112.91 112.93 2dax h THR 112 Ca 0.33 -0.12 0.11 0.00 0.77 0.00 0.00 66.41 67.50 2dax h THR 112 Cb 0.57 1.12 -0.11 0.00 -1.74 0.00 0.00 68.15 67.99 2dax h THR 112 CO -0.93 0.03 -0.25 0.00 0.37 0.00 0.00 175.52 174.74 2dax h ALA 113 N 0.95 0.11 -1.00 6.16 0.00 -0.26 -1.46 119.26 123.77 2dax h ALA 113 Ca -0.00 0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.22 2dax h ALA 113 Cb 0.05 0.62 -0.14 0.00 0.00 0.00 0.00 17.79 18.32 2dax h ALA 113 CO 0.00 -0.58 -0.47 0.34 0.00 0.00 0.00 179.25 178.54 2dax n PHE 114 N -5.43 -0.17 0.44 0.00 7.35 -0.23 -1.18 117.46 118.25 2dax n PHE 114 Ca 0.05 1.23 -0.19 0.00 -0.76 0.00 0.00 57.45 57.78 2dax n PHE 114 Cb 0.34 -0.75 -0.09 0.00 0.35 0.00 0.00 39.48 39.32 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 -0.93 -1.44 -2.13 3.38 -1.35 -1.40 115.31 111.44 2dax h LEU 115 Ca 0.27 0.03 0.48 0.00 0.09 0.00 0.00 57.88 58.75 2dax h LEU 115 Cb 0.52 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 2dax h LEU 115 CO -0.97 -0.66 0.94 0.00 0.09 0.00 0.00 178.44 177.85 2dax n GLN 116 N -5.56 -0.03 0.00 1.13 6.02 -0.44 0.12 117.38 118.63 2dax n GLN 116 Ca -0.15 1.22 -0.01 0.00 -0.01 0.00 0.00 57.00 58.04 2dax n GLN 116 Cb 0.44 -2.44 -0.01 0.00 1.02 0.00 0.00 30.24 29.25 2dax n GLN 116 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2dax h LYS 117 N 0.00 -0.08 0.00 -1.09 1.57 -0.72 -3.41 116.57 112.85 2dax h LYS 117 Ca 0.88 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.66 2dax h LYS 117 Cb 2.93 0.02 0.00 0.00 0.08 0.00 0.00 32.23 35.26 2dax h LYS 117 CO -0.40 -0.05 -0.08 0.45 -0.57 0.00 0.00 179.45 178.80 2dax h HIS 118 N -0.69 0.00 -1.58 -1.35 3.86 0.01 -3.42 115.15 111.99 2dax h HIS 118 Ca -0.01 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.64 2dax h HIS 118 Cb 0.06 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.44 2dax h HIS 118 CO 0.01 0.00 1.31 0.00 0.86 0.00 0.00 177.93 180.10 2dax s HIS 120 N 5.54 0.69 -0.45 0.00 5.04 -1.21 -3.09 115.29 121.81 2dax s HIS 120 Ca 0.43 -0.18 -0.03 0.00 -1.54 0.00 0.00 55.06 53.74 2dax s HIS 120 Cb -0.03 -0.79 0.00 0.00 0.04 0.00 0.00 32.58 31.80 2dax s HIS 120 CO 0.00 -0.32 0.36 0.41 -2.34 0.00 0.00 174.74 172.86 2dax n GLY 121 N 5.03 0.45 3.42 1.59 0.00 -1.26 -5.04 105.19 109.37 2dax n GLY 121 Ca -0.09 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.08 -0.51 -0.94 1.61 1.01 -1.26 -4.85 116.67 108.65 2dax s ASP 122 Ca 0.18 0.14 -0.22 0.00 0.71 0.00 0.00 52.55 53.36 2dax s ASP 122 Cb -0.08 0.54 0.07 0.00 1.01 0.00 0.00 42.92 44.47 2dax s ASP 122 CO 0.22 -0.82 1.31 0.68 0.21 0.00 0.00 175.17 176.77 2dax s VAL 123 N -2.95 4.15 -0.46 -1.27 -7.23 -1.26 -4.89 120.40 106.49 2dax s VAL 123 Ca -0.03 -0.83 0.03 0.00 -1.81 0.00 0.00 61.98 59.34 2dax s VAL 123 Cb -0.00 -4.94 0.16 0.00 0.56 0.00 0.00 36.38 32.15 2dax s VAL 123 CO -0.06 -1.78 0.33 0.00 -0.31 0.00 0.00 175.10 173.29 2dax h ILE 125 N 4.74 1.06 -0.25 0.00 1.08 -1.99 -3.36 117.51 118.79 2dax h ILE 125 Ca 0.17 -2.61 0.00 0.00 -0.39 0.00 0.00 64.86 62.04 2dax h ILE 125 Cb 0.89 2.84 -0.01 0.00 -3.07 0.00 0.00 36.82 37.47 2dax h ILE 125 CO 0.43 0.84 0.15 -0.07 -0.69 0.00 0.00 178.15 178.82 2dax h LEU 126 N 0.11 0.29 -1.11 1.44 3.38 -2.00 -2.47 115.31 114.95 2dax h LEU 126 Ca -0.31 -0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.01 2dax h LEU 126 Cb 2.11 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 42.63 2dax h LEU 126 CO 0.20 0.24 0.64 0.78 0.09 0.00 0.00 178.44 180.39 2dax h ASN 127 N 0.32 0.37 0.11 -0.43 2.35 -1.98 0.29 115.58 116.61 2dax h ASN 127 Ca 0.09 0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 2dax h ASN 127 Cb -0.00 0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2dax h ASN 127 CO -0.02 -0.25 -0.05 0.00 -1.65 0.00 0.00 177.43 175.46 2dax h ALA 128 N 1.83 -0.15 -0.64 -0.83 0.00 -1.61 -2.25 119.26 115.61 2dax h ALA 128 Ca 0.80 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.66 2dax h ALA 128 Cb 2.11 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.93 2dax h ALA 128 CO -0.61 -0.39 0.44 1.79 0.00 0.00 0.00 179.25 180.49 2dax h THR 129 N -0.54 0.77 -0.01 0.00 1.35 -0.41 0.13 112.91 114.20 2dax h THR 129 Ca -0.02 -0.08 -0.18 0.00 -0.55 0.00 0.00 66.41 65.58 2dax h THR 129 Cb 0.44 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 2dax h THR 129 CO 0.03 0.04 -0.82 -0.33 -0.25 0.00 0.00 175.52 174.19 2dax h GLU 130 N 0.23 0.16 0.00 4.72 5.08 -1.05 -2.93 114.58 120.78 2dax h GLU 130 Ca 0.31 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2dax h GLU 130 Cb 0.90 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2dax h GLU 130 CO -0.06 0.89 -0.06 2.35 -1.00 0.00 0.00 179.01 181.13 2dax h TRP 131 N 0.09 0.00 0.00 4.33 7.01 -0.21 -3.33 115.95 123.84 2dax h TRP 131 Ca -0.03 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.97 2dax h TRP 131 Cb 1.42 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.48 2dax h TRP 131 CO 0.02 0.00 -0.03 0.28 -2.79 0.00 0.00 178.44 175.92 2dax h VAL 132 N 0.00 0.00 -0.71 2.65 2.07 -0.93 -2.92 116.25 116.41 2dax h VAL 132 Ca 0.00 -0.54 0.21 0.00 0.82 0.00 0.00 66.70 67.19 2dax h VAL 132 Cb 0.79 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2dax h VAL 132 CO 0.00 0.00 1.06 0.08 0.02 0.00 0.00 177.57 178.73 2dax h ARG 133 N -0.54 0.00 0.00 1.57 0.11 -1.67 0.61 114.38 114.47 2dax h ARG 133 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2dax h ARG 133 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2dax h ARG 133 CO 0.00 0.00 -0.05 0.93 0.10 0.00 0.00 179.97 180.95 2dax h GLU 134 N 0.00 0.00 -0.02 0.08 4.39 -1.67 -3.36 114.58 114.00 2dax h GLU 134 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 2dax h GLU 134 Cb 2.46 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 31.10 2dax h GLU 134 CO -0.00 0.00 -0.01 0.45 -1.16 0.00 0.00 179.01 178.29 2dax h HIS 135 N -0.35 -0.02 0.00 4.33 3.86 -0.95 -3.24 115.15 118.79 2dax h HIS 135 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2dax h HIS 135 Cb 0.05 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.53 2dax h HIS 135 CO -0.02 -0.01 0.00 0.00 0.86 0.00 0.00 177.93 178.76 2dax n ALA 136 N -2.13 0.00 -0.41 2.45 0.00 0.20 0.21 120.51 120.82 2dax n ALA 136 Ca -0.06 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.73 2dax n ALA 136 Cb 0.04 0.32 0.62 0.00 0.00 0.00 0.00 19.45 20.43 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 0.28 0.05 0.00 4.64 -1.70 0.36 113.55 117.18 2dax h SER 137 Ca 0.00 0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2dax h SER 137 Cb 0.00 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2dax h SER 137 CO 0.00 -0.23 -0.02 1.23 -0.87 0.00 0.00 176.83 176.93 2dax h GLY 138 N 0.09 -0.07 0.95 -0.77 0.00 0.23 -3.09 103.07 100.41 2dax h GLY 138 Ca 0.82 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 48.16 2dax h GLY 138 CO -0.51 -0.03 0.18 -0.97 0.00 0.00 0.00 176.54 175.22 2dax h TYR 139 N -0.15 0.64 -0.82 5.60 0.05 0.46 -3.43 116.97 119.33 2dax h TYR 139 Ca -0.01 -0.04 -0.78 0.00 0.05 0.00 0.00 58.73 57.95 2dax h TYR 139 Cb 0.13 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 2dax h TYR 139 CO -0.05 0.55 1.05 0.28 -1.05 0.00 0.00 178.16 178.94 2dax n VAL 140 N -4.63 0.10 -3.89 -2.88 0.31 -0.57 -4.92 118.33 101.84 2dax n VAL 140 Ca 0.00 -0.05 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 2dax n VAL 140 Cb 0.14 -0.83 -0.12 0.00 -0.91 0.00 0.00 33.84 32.12 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 4.73 0.04 0.01 4.52 0.01 -1.26 -4.98 113.70 116.77 2dax s SER 141 Ca 1.09 -0.14 -0.06 0.00 1.31 0.00 0.00 55.95 58.15 2dax s SER 141 Cb -1.31 0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 2dax s SER 141 CO 0.68 -0.21 0.26 -0.60 0.41 0.00 0.00 173.24 173.79 2dax s ARG 142 N -0.81 3.56 -0.08 12.44 6.06 -1.26 -5.03 118.95 133.83 2dax s ARG 142 Ca -0.09 -0.11 0.01 0.00 -2.50 0.00 0.00 55.73 53.04 2dax s ARG 142 Cb -0.05 -3.07 0.02 0.00 0.06 0.00 0.00 34.95 31.90 2dax s ARG 142 CO 0.00 0.65 -0.09 0.16 -2.50 0.00 0.00 175.30 173.52 2dax s ASP 143 N -1.76 1.85 0.41 -2.12 1.47 -1.26 -5.14 116.67 110.12 2dax s ASP 143 Ca 0.28 -0.27 -0.07 0.00 1.18 0.00 0.00 52.55 53.67 2dax s ASP 143 Cb -0.13 -0.77 -0.05 0.00 -0.34 0.00 0.00 42.92 41.63 2dax s ASP 143 CO 0.17 -0.06 0.72 0.42 0.68 0.00 0.00 175.17 177.10 2dax s THR 144 N 1.23 4.90 -0.89 2.11 -4.23 -1.26 -5.02 115.64 112.48 2dax s THR 144 Ca -0.04 0.27 -0.19 0.00 -1.18 0.00 0.00 61.69 60.55 2dax s THR 144 Cb -0.14 -3.80 0.13 0.00 1.34 0.00 0.00 72.50 70.04 2dax s THR 144 CO -0.03 -0.63 1.06 -0.55 -0.54 0.00 0.00 174.62 173.94 2dax s SER 145 N -3.61 6.59 -0.21 3.99 0.15 -1.26 -4.99 113.70 114.36 2dax s SER 145 Ca 0.48 -2.00 -0.30 0.00 0.70 0.00 0.00 55.95 54.82 2dax s SER 145 Cb -0.10 -2.38 -0.07 0.00 -1.71 0.00 0.00 66.02 61.75 2dax s SER 145 CO 0.37 -1.05 2.16 -1.20 1.20 0.00 0.00 173.24 174.72 2dax n SER 146 N 6.39 3.14 -4.68 5.45 7.64 -1.26 -4.93 113.62 125.37 2dax n SER 146 Ca 0.20 0.39 -0.41 0.00 1.01 0.00 0.00 58.87 60.06 2dax n SER 146 Cb 0.48 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.16 2dax n SER 146 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dax s SER 147 N 7.34 6.87 0.00 6.43 0.15 -1.26 -4.91 113.70 128.32 2dax s SER 147 Ca 1.01 1.06 0.00 0.00 0.70 0.00 0.00 55.95 58.72 2dax s SER 147 Cb -0.49 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 2dax s SER 147 CO 0.40 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2dax n GLY 148 N 3.51 3.92 1.48 9.45 0.00 -1.26 -5.14 105.19 117.15 2dax n GLY 148 Ca 0.01 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 2dax n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dax n PRO 149 N 0.00 -1.92 -3.74 1.61 -0.04 -1.26 -5.10 135.00 124.55 2dax n PRO 149 Ca 0.00 -0.74 -0.04 0.00 -0.04 0.00 0.00 63.50 62.68 2dax n PRO 149 Cb 0.00 -0.69 -0.01 0.00 -0.04 0.00 0.00 33.50 32.75 2dax n PRO 149 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dax s SER 150 N -2.76 -0.21 0.46 3.54 1.04 -1.26 -5.18 113.70 109.33 2dax s SER 150 Ca 0.30 -0.38 0.08 0.00 0.48 0.00 0.00 55.95 56.43 2dax s SER 150 Cb -0.03 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2dax s SER 150 CO 0.23 -0.92 0.45 -0.55 0.98 0.00 0.00 173.24 173.44 2dax s SER 151 N -2.90 5.06 0.00 7.02 0.15 -1.26 -5.35 113.70 116.42 2dax s SER 151 Ca 0.11 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2dax s SER 151 Cb -0.02 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2dax s SER 151 CO 0.01 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.25