#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 0.09 1.15 1.61 0.15 -1.26 -5.16 113.70 110.28 2dax s SER 2 Ca 0.00 -0.62 -0.15 0.00 0.70 0.00 0.00 55.95 55.88 2dax s SER 2 Cb 0.00 0.35 0.21 0.00 -1.71 0.00 0.00 66.02 64.87 2dax s SER 2 CO 0.00 -0.74 0.58 -1.20 1.20 0.00 0.00 173.24 173.08 2dax n SER 3 N -0.08 -2.02 0.00 5.45 7.64 -1.26 -4.90 113.62 118.45 2dax n SER 3 Ca -0.15 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.59 2dax n SER 3 Cb 0.63 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2dax n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dax n GLY 4 N 1.45 -0.35 2.73 0.23 0.00 -1.26 -5.12 105.19 102.88 2dax n GLY 4 Ca 0.02 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2dax n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dax s SER 5 N -2.00 1.50 -0.11 1.61 1.04 -1.26 -5.05 113.70 109.43 2dax s SER 5 Ca 0.00 -0.07 -0.05 0.00 0.48 0.00 0.00 55.95 56.31 2dax s SER 5 Cb 0.00 -0.34 -0.02 0.00 0.10 0.00 0.00 66.02 65.77 2dax s SER 5 CO 0.00 -0.22 -0.09 -1.28 0.98 0.00 0.00 173.24 172.63 2dax h SER 6 N 8.37 0.00 0.00 7.02 0.87 -2.00 -3.49 113.55 124.31 2dax h SER 6 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2dax h SER 6 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2dax h SER 6 CO 0.23 0.58 0.00 0.61 -0.53 0.00 0.00 176.83 177.72 2dax n GLY 7 N 1.70 -1.24 0.26 5.77 0.00 -1.26 -4.45 105.19 105.96 2dax n GLY 7 Ca -0.04 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.90 1.61 9.09 -2.01 -2.93 114.58 119.44 2dax h GLU 8 Ca 0.00 0.00 0.23 0.00 0.05 0.00 0.00 59.36 59.64 2dax h GLU 8 Cb 0.00 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 26.97 2dax h GLU 8 CO 0.00 0.14 0.36 0.37 0.05 0.00 0.00 179.01 179.93 2dax h GLN 9 N 0.00 0.33 -0.76 1.06 4.15 -1.95 0.28 115.11 118.21 2dax h GLN 9 Ca -0.00 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.44 2dax h GLN 9 Cb 0.36 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 2dax h GLN 9 CO 0.02 0.22 0.47 0.00 -1.93 0.00 0.00 178.83 177.61 2dax h ALA 10 N 1.74 1.01 0.36 3.38 0.00 -1.84 -2.94 119.26 120.97 2dax h ALA 10 Ca 0.57 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 2dax h ALA 10 Cb 1.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dax h ALA 10 CO -0.57 0.25 -0.17 0.93 0.00 0.00 0.00 179.25 179.69 2dax h GLU 11 N 0.91 -0.47 -0.92 0.00 5.08 -0.66 -2.62 114.58 115.91 2dax h GLU 11 Ca 0.31 0.03 0.38 0.00 -1.00 0.00 0.00 59.36 59.08 2dax h GLU 11 Cb 0.06 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 29.26 2dax h GLU 11 CO -0.13 -0.19 0.51 0.00 -1.00 0.00 0.00 179.01 178.19 2dax n ALA 12 N -2.43 0.94 0.07 3.43 0.00 -0.61 -0.12 120.51 121.80 2dax n ALA 12 Ca -0.10 0.89 -0.04 0.00 0.00 0.00 0.00 53.44 54.19 2dax n ALA 12 Cb 0.26 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.52 0.00 4.20 -1.44 -3.30 115.11 113.82 2dax h GLN 13 Ca 0.75 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.56 2dax h GLN 13 Cb 2.04 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 29.77 2dax h GLN 13 CO -0.65 -0.15 -0.41 1.25 -0.67 0.00 0.00 178.83 178.19 2dax h LEU 14 N -0.67 -1.41 -0.74 1.46 5.85 -0.69 -1.05 115.31 118.06 2dax h LEU 14 Ca -0.02 0.23 0.12 0.00 0.84 0.00 0.00 57.88 59.05 2dax h LEU 14 Cb 0.18 0.64 -0.12 0.00 0.37 0.00 0.00 40.66 41.73 2dax h LEU 14 CO 0.04 -0.34 -0.28 0.00 -0.34 0.00 0.00 178.44 177.52 2dax n ALA 15 N -3.12 -0.06 0.43 1.25 0.00 0.84 -0.45 120.51 119.41 2dax n ALA 15 Ca 0.01 0.75 -0.17 0.00 0.00 0.00 0.00 53.44 54.03 2dax n ALA 15 Cb 0.35 -0.35 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.06 -0.81 0.00 4.57 -1.28 -2.35 114.58 113.65 2dax h GLU 16 Ca 0.27 0.07 0.13 0.00 -1.18 0.00 0.00 59.36 58.66 2dax h GLU 16 Cb 0.46 0.24 -0.14 0.00 -0.16 0.00 0.00 28.75 29.15 2dax h GLU 16 CO -0.74 -0.71 -0.36 -0.07 -1.18 0.00 0.00 179.01 175.95 2dax h LEU 17 N -1.12 -1.29 -0.86 1.64 3.38 -0.51 0.54 115.31 117.08 2dax h LEU 17 Ca -0.11 0.27 0.16 0.00 0.09 0.00 0.00 57.88 58.29 2dax h LEU 17 Cb 0.85 0.67 -0.10 0.00 0.09 0.00 0.00 40.66 42.17 2dax h LEU 17 CO 0.19 -0.30 0.44 -0.78 0.09 0.00 0.00 178.44 178.08 2dax h ASP 18 N -0.08 0.51 0.06 -0.43 3.58 -0.71 -1.01 116.42 118.34 2dax h ASP 18 Ca 0.30 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.85 2dax h ASP 18 Cb 0.58 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2dax h ASP 18 CO -0.84 0.19 -0.03 0.25 -2.88 0.00 0.00 179.24 175.92 2dax h LEU 19 N 0.59 -0.06 0.08 2.28 5.85 0.51 -3.22 115.31 121.34 2dax h LEU 19 Ca 0.49 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.92 2dax h LEU 19 Cb 0.74 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 2dax h LEU 19 CO -0.39 0.27 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.43 2dax h LEU 20 N -0.40 -1.43 -0.85 2.25 3.38 0.01 0.30 115.31 118.57 2dax h LEU 20 Ca -0.01 0.15 0.32 0.00 0.09 0.00 0.00 57.88 58.43 2dax h LEU 20 Cb 0.36 0.53 -0.16 0.00 0.09 0.00 0.00 40.66 41.48 2dax h LEU 20 CO 0.01 -0.49 0.32 0.00 0.09 0.00 0.00 178.44 178.37 2dax n ALA 21 N -2.88 0.73 0.14 1.53 0.00 -0.46 0.15 120.51 119.72 2dax n ALA 21 Ca -0.07 0.88 -0.24 0.00 0.00 0.00 0.00 53.44 54.01 2dax n ALA 21 Cb 0.36 -0.80 -0.16 0.00 0.00 0.00 0.00 19.45 18.85 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 0.81 -0.74 0.00 0.02 -1.24 -3.32 113.55 109.07 2dax h SER 22 Ca 0.66 -0.86 0.15 0.00 -0.84 0.00 0.00 61.79 60.90 2dax h SER 22 Cb 1.64 -0.26 -0.10 0.00 0.14 0.00 0.00 62.40 63.82 2dax h SER 22 CO -0.70 1.67 0.24 0.24 -1.14 0.00 0.00 176.83 177.14 2dax h MET 23 N 0.15 0.35 -3.90 3.45 2.07 0.51 -3.27 114.93 114.29 2dax h MET 23 Ca -0.24 -0.02 -0.75 0.00 -2.07 0.00 0.00 59.70 56.62 2dax h MET 23 Cb 2.15 -0.08 -0.29 0.00 -1.87 0.00 0.00 31.60 31.51 2dax h MET 23 CO 0.27 0.23 -0.15 -0.06 1.07 0.00 0.00 176.91 178.26 2dax s PHE 24 N -6.03 3.55 0.30 -0.22 0.40 -0.48 -4.90 117.98 110.59 2dax s PHE 24 Ca -0.13 -2.06 0.09 0.00 -0.60 0.00 0.00 56.93 54.23 2dax s PHE 24 Cb 0.21 -3.60 0.48 0.00 0.51 0.00 0.00 43.02 40.62 2dax s PHE 24 CO 0.76 -0.96 1.70 -1.00 0.70 0.00 0.00 175.22 176.42 2dax h PRO 25 N 7.86 0.11 -6.05 0.24 0.13 -1.77 -3.46 132.00 129.07 2dax h PRO 25 Ca -0.04 -0.06 -0.56 0.00 -0.87 0.00 0.00 66.00 64.48 2dax h PRO 25 Cb 1.03 0.00 0.23 0.00 0.13 0.00 0.00 31.00 32.39 2dax h PRO 25 CO 0.80 0.57 -1.68 0.41 -0.23 0.00 0.00 178.00 177.86 2dax n GLY 26 N -0.10 -4.29 0.10 1.56 0.00 -1.26 -4.92 105.19 96.27 2dax n GLY 26 Ca -0.02 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.87 0.12 -2.16 1.61 4.11 -1.97 -3.38 114.58 112.04 2dax h GLU 27 Ca -0.44 -0.20 -0.74 0.00 0.07 0.00 0.00 59.36 58.06 2dax h GLU 27 Cb 1.32 0.07 -0.31 0.00 0.50 0.00 0.00 28.75 30.33 2dax h GLU 27 CO 0.27 1.09 0.57 0.09 0.07 0.00 0.00 179.01 181.10 2dax n ASN 28 N -4.33 6.62 -0.02 3.06 3.02 -1.26 -4.52 115.26 117.83 2dax n ASN 28 Ca -0.18 -3.72 -0.02 0.00 -0.03 0.00 0.00 54.58 50.62 2dax n ASN 28 Cb 0.68 -0.97 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 2dax n ASN 28 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2dax n GLU 29 N -0.22 0.52 -3.69 3.52 -0.00 -1.26 -4.54 120.64 114.97 2dax n GLU 29 Ca 0.44 0.02 -0.15 0.00 -0.00 0.00 0.00 57.16 57.47 2dax n GLU 29 Cb 0.31 -1.07 -0.15 0.00 -0.00 0.00 0.00 31.44 30.53 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 -5.09 0.16 -0.17 -1.84 0.20 -1.26 0.92 118.68 111.61 2dax s LEU 30 Ca -0.04 0.36 0.01 0.00 0.69 0.00 0.00 54.13 55.15 2dax s LEU 30 Cb 0.01 0.38 0.03 0.00 -0.43 0.00 0.00 46.19 46.18 2dax s LEU 30 CO 0.09 -0.21 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.17 2dax s ILE 31 N 1.91 1.68 -0.61 6.68 1.09 0.17 -4.99 121.20 127.13 2dax s ILE 31 Ca -0.01 -0.82 -0.17 0.00 -1.10 0.00 0.00 60.65 58.55 2dax s ILE 31 Cb -0.12 -1.62 0.13 0.00 -1.06 0.00 0.00 42.46 39.79 2dax s ILE 31 CO -0.06 0.37 0.62 -0.69 -0.10 0.00 0.00 174.94 175.08 2dax s VAL 32 N 1.42 5.13 0.10 2.92 1.01 -1.26 -1.26 120.40 128.46 2dax s VAL 32 Ca 0.03 -1.49 -0.17 0.00 0.00 0.00 0.00 61.98 60.35 2dax s VAL 32 Cb -0.14 -4.42 -0.06 0.00 0.00 0.00 0.00 36.38 31.76 2dax s VAL 32 CO -0.10 -0.99 1.53 0.78 0.00 0.00 0.00 175.10 176.31 2dax h ASN 33 N 8.82 0.53 -2.12 3.32 4.21 -1.90 -3.39 115.58 125.06 2dax h ASN 33 Ca -0.22 -0.32 -0.54 0.00 1.21 0.00 0.00 56.30 56.43 2dax h ASN 33 Cb 1.08 -0.14 -0.08 0.00 -1.12 0.00 0.00 38.32 38.07 2dax h ASN 33 CO 1.02 0.73 1.15 -0.62 -1.29 0.00 0.00 177.43 178.41 2dax s ASP 34 N -6.07 6.05 -0.07 5.81 -1.08 -1.12 -4.81 116.67 115.39 2dax s ASP 34 Ca -0.13 -0.46 -0.01 0.00 -0.52 0.00 0.00 52.55 51.42 2dax s ASP 34 Cb 0.08 -2.56 -0.26 0.00 -1.46 0.00 0.00 42.92 38.73 2dax s ASP 34 CO 0.77 -1.90 0.56 1.56 0.52 0.00 0.00 175.17 176.68 2dax h GLN 35 N 10.73 0.21 -0.96 4.34 7.50 -1.91 -3.37 115.11 131.64 2dax h GLN 35 Ca -0.21 -0.35 0.03 0.00 0.50 0.00 0.00 58.65 58.62 2dax h GLN 35 Cb 1.06 0.13 -0.05 0.00 0.05 0.00 0.00 27.48 28.67 2dax h GLN 35 CO 1.29 1.02 0.63 1.25 -1.50 0.00 0.00 178.83 181.52 2dax h LEU 36 N 0.06 1.06 -1.11 1.46 5.85 -1.97 0.18 115.31 120.83 2dax h LEU 36 Ca -0.35 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.46 2dax h LEU 36 Cb 2.03 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 42.74 2dax h LEU 36 CO 0.11 0.74 0.61 0.00 -0.34 0.00 0.00 178.44 179.55 2dax h ALA 37 N 1.38 1.58 0.00 1.25 0.00 -1.82 0.84 119.26 122.49 2dax h ALA 37 Ca 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2dax h ALA 37 Cb -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2dax h ALA 37 CO -0.11 0.22 -0.21 0.28 0.00 0.00 0.00 179.25 179.43 2dax h VAL 38 N 0.95 0.95 -0.83 0.00 2.07 -1.51 -2.93 116.25 114.95 2dax h VAL 38 Ca 0.45 -1.78 0.19 0.00 0.82 0.00 0.00 66.70 66.38 2dax h VAL 38 Cb 0.43 1.86 -0.12 0.00 -1.52 0.00 0.00 31.29 31.94 2dax h VAL 38 CO -0.21 0.32 0.31 0.00 0.02 0.00 0.00 177.57 178.01 2dax h ALA 39 N -0.47 1.23 -0.35 1.67 0.00 -0.56 0.27 119.26 121.05 2dax h ALA 39 Ca -0.05 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2dax h ALA 39 Cb 0.68 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2dax h ALA 39 CO -0.03 -0.31 -0.15 0.93 0.00 0.00 0.00 179.25 179.68 2dax h GLU 40 N 0.37 0.72 -0.54 0.00 4.39 -0.97 -2.93 114.58 115.62 2dax h GLU 40 Ca 0.49 -0.31 0.06 0.00 0.34 0.00 0.00 59.36 59.94 2dax h GLU 40 Cb 0.88 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.46 2dax h GLU 40 CO -0.51 0.91 0.25 1.25 -1.16 0.00 0.00 179.01 179.76 2dax h LEU 41 N 0.51 0.34 -0.05 1.33 5.85 -0.81 -0.40 115.31 122.07 2dax h LEU 41 Ca 0.08 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2dax h LEU 41 Cb 0.69 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2dax h LEU 41 CO 0.05 0.23 -0.09 0.11 -0.34 0.00 0.00 178.44 178.40 2dax h LYS 42 N 0.48 -0.12 0.53 1.25 1.57 -1.08 -2.73 116.57 116.48 2dax h LYS 42 Ca 0.25 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2dax h LYS 42 Cb 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2dax h LYS 42 CO -0.20 -0.08 -0.34 0.22 -0.57 0.00 0.00 179.45 178.49 2dax h ASP 43 N -0.12 -0.85 -0.93 0.86 3.58 -1.27 -2.64 116.42 115.05 2dax h ASP 43 Ca 0.05 0.05 0.20 0.00 0.42 0.00 0.00 57.03 57.76 2dax h ASP 43 Cb 0.20 0.25 -0.18 0.00 1.72 0.00 0.00 39.33 41.32 2dax h ASP 43 CO -0.13 -0.53 -0.17 0.00 -2.88 0.00 0.00 179.24 175.54 2dax h ILE 45 N 0.00 0.22 -0.75 0.00 2.04 -1.22 0.58 117.51 118.38 2dax h ILE 45 Ca 0.47 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.49 2dax h ILE 45 Cb 0.80 0.22 -0.10 0.00 -0.74 0.00 0.00 36.82 36.99 2dax h ILE 45 CO -0.93 0.00 0.25 -0.33 0.00 0.00 0.00 178.15 177.14 2dax h GLU 46 N -1.03 0.35 0.00 2.37 5.08 -0.39 0.28 114.58 121.23 2dax h GLU 46 Ca -0.10 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2dax h GLU 46 Cb 0.80 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2dax h GLU 46 CO 0.14 0.23 -0.36 0.87 -1.00 0.00 0.00 179.01 178.89 2dax h LYS 47 N 0.36 0.00 -5.46 2.33 1.57 -0.58 -3.47 116.57 111.32 2dax h LYS 47 Ca 0.42 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.84 2dax h LYS 47 Cb 0.69 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.13 2dax h LYS 47 CO -0.46 0.36 -0.63 1.63 -0.57 0.00 0.00 179.45 179.79 2dax n LYS 48 N -3.42 -7.33 -2.47 3.15 5.02 0.20 -4.92 118.16 108.39 2dax n LYS 48 Ca 0.00 0.76 -0.12 0.00 -2.02 0.00 0.00 58.31 56.94 2dax n LYS 48 Cb 0.54 -5.62 0.03 0.00 -0.02 0.00 0.00 35.03 29.97 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 -4.79 1.83 -1.51 -0.18 5.66 -1.09 -4.92 114.28 109.28 2dax n THR 49 Ca 0.00 -3.56 -0.41 0.00 -3.05 0.00 0.00 64.05 57.03 2dax n THR 49 Cb 0.56 0.14 -0.08 0.00 -1.55 0.00 0.00 70.33 69.39 2dax n THR 49 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2dax n MET 50 N -0.61 0.66 -0.11 1.09 2.81 -1.26 -4.73 117.12 114.97 2dax n MET 50 Ca 0.24 0.06 -0.12 0.00 -1.81 0.00 0.00 57.70 56.06 2dax n MET 50 Cb 0.87 -2.51 -0.14 0.00 -0.71 0.00 0.00 33.22 30.72 2dax n MET 50 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2dax n GLU 51 N 8.64 0.75 0.00 0.03 0.28 -1.26 -4.98 120.64 124.10 2dax n GLU 51 Ca 0.49 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 2dax n GLU 51 Cb 0.29 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.66 2dax n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dax n GLY 52 N 1.99 1.64 3.30 -1.84 0.00 -1.26 -5.15 105.19 103.86 2dax n GLY 52 Ca -0.36 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2dax n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dax n ARG 53 N 0.00 -1.56 -0.52 1.61 3.00 -1.26 -4.97 116.66 112.96 2dax n ARG 53 Ca 0.00 -0.44 0.03 0.00 -0.01 0.00 0.00 57.85 57.44 2dax n ARG 53 Cb 0.00 -1.75 0.05 0.00 0.00 0.00 0.00 32.46 30.76 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 -1.90 0.76 -3.68 0.55 2.88 -1.26 -5.04 113.62 105.93 2dax n SER 54 Ca 0.01 -2.35 -0.13 0.00 -1.33 0.00 0.00 58.87 55.08 2dax n SER 54 Cb 0.61 -0.28 -0.13 0.00 -0.75 0.00 0.00 64.21 63.66 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 -1.67 0.06 0.16 -3.46 0.01 -1.26 -5.07 113.70 102.46 2dax s SER 55 Ca 0.13 0.63 -0.30 0.00 1.31 0.00 0.00 55.95 57.72 2dax s SER 55 Cb 0.13 0.67 -0.07 0.00 0.21 0.00 0.00 66.02 66.96 2dax s SER 55 CO -0.02 -0.21 0.96 -0.54 0.41 0.00 0.00 173.24 173.84 2dax s LYS 56 N 2.02 4.74 -0.57 12.44 1.02 -1.26 -4.60 119.74 133.53 2dax s LYS 56 Ca -0.03 1.48 -0.27 0.00 0.02 0.00 0.00 55.97 57.17 2dax s LYS 56 Cb -0.11 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2dax s LYS 56 CO -0.09 0.31 1.82 0.08 -0.92 0.00 0.00 175.35 176.55 2dax s VAL 57 N -0.41 3.40 -0.26 3.17 1.01 -1.18 -4.83 120.40 121.30 2dax s VAL 57 Ca 0.45 0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 2dax s VAL 57 Cb -0.25 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 2dax s VAL 57 CO 0.31 -0.86 0.07 -0.47 0.00 0.00 0.00 175.10 174.14 2dax s TYR 58 N 8.59 3.09 -0.14 5.22 5.04 -1.26 -1.75 117.35 136.13 2dax s TYR 58 Ca 0.68 -0.56 -0.08 0.00 -2.44 0.00 0.00 57.07 54.67 2dax s TYR 58 Cb -0.14 -2.23 0.05 0.00 0.35 0.00 0.00 41.96 39.99 2dax s TYR 58 CO 0.23 -0.41 0.34 -0.59 -1.34 0.00 0.00 175.55 173.77 2dax s PHE 59 N 1.59 -0.49 0.08 4.97 -0.71 -1.12 -2.59 117.98 119.71 2dax s PHE 59 Ca 0.06 1.08 -0.04 0.00 -1.04 0.00 0.00 56.93 56.99 2dax s PHE 59 Cb -0.15 0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.78 2dax s PHE 59 CO 0.03 -0.30 0.29 0.99 -1.34 0.00 0.00 175.22 174.89 2dax s THR 60 N 1.33 5.28 -0.16 -4.49 2.01 -0.39 -2.43 115.64 116.79 2dax s THR 60 Ca -0.09 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2dax s THR 60 Cb -0.09 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.83 2dax s THR 60 CO -0.11 0.16 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.19 2dax s ILE 61 N -1.51 1.74 -0.43 1.82 1.01 -1.14 -0.66 121.20 122.03 2dax s ILE 61 Ca 0.35 -0.74 -0.20 0.00 0.00 0.00 0.00 60.65 60.06 2dax s ILE 61 Cb -0.13 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.76 2dax s ILE 61 CO 0.23 0.49 0.61 0.20 0.00 0.00 0.00 174.94 176.47 2dax s ASN 62 N 1.40 6.31 -0.23 3.58 0.01 0.26 -2.75 114.94 123.52 2dax s ASN 62 Ca 0.05 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 2dax s ASN 62 Cb -0.13 -2.30 0.03 0.00 0.41 0.00 0.00 41.25 39.26 2dax s ASN 62 CO -0.11 -0.73 -0.11 -0.04 -1.51 0.00 0.00 177.10 174.60 2dax s MET 63 N 2.71 2.74 -0.35 -0.60 -1.94 -1.12 -4.49 119.30 116.25 2dax s MET 63 Ca 0.21 -1.02 -0.24 0.00 -1.71 0.00 0.00 55.69 52.93 2dax s MET 63 Cb -0.15 -2.86 0.01 0.00 2.01 0.00 0.00 34.83 33.84 2dax s MET 63 CO 0.18 -0.39 0.81 0.54 -0.01 0.00 0.00 175.02 176.14 2dax s ASN 64 N 1.27 6.60 0.09 3.03 2.20 -1.26 -2.03 114.94 124.83 2dax s ASN 64 Ca -0.01 0.47 -0.02 0.00 -0.94 0.00 0.00 52.86 52.36 2dax s ASN 64 Cb -0.16 -2.41 -0.04 0.00 -2.00 0.00 0.00 41.25 36.64 2dax s ASN 64 CO -0.07 -0.72 0.03 -0.76 -2.94 0.00 0.00 177.10 172.64 2dax s LEU 65 N 3.12 2.10 0.30 3.54 1.43 -0.02 -4.90 118.68 124.26 2dax s LEU 65 Ca 0.33 -1.05 -0.22 0.00 -1.03 0.00 0.00 54.13 52.15 2dax s LEU 65 Cb -0.13 0.33 -0.09 0.00 0.03 0.00 0.00 46.19 46.33 2dax s LEU 65 CO 0.16 -0.67 0.86 -1.81 0.23 0.00 0.00 176.35 175.12 2dax s ASP 66 N -2.96 7.15 0.00 2.29 1.11 -1.26 -0.92 116.67 122.08 2dax s ASP 66 Ca 0.13 1.64 0.00 0.00 0.18 0.00 0.00 52.55 54.51 2dax s ASP 66 Cb 0.07 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.56 2dax s ASP 66 CO -0.05 -0.08 0.00 1.33 1.18 0.00 0.00 175.17 177.54 2dax n VAL 67 N 0.38 0.00 -3.87 -1.27 0.24 -1.19 -4.66 118.33 107.97 2dax n VAL 67 Ca 0.01 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.27 2dax n VAL 67 Cb 0.51 -0.98 0.02 0.00 -1.47 0.00 0.00 33.84 31.92 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 -4.72 0.01 -1.66 -1.34 0.15 -1.26 -4.52 113.70 100.36 2dax s SER 68 Ca 0.00 -0.82 -0.14 0.00 0.70 0.00 0.00 55.95 55.69 2dax s SER 68 Cb 0.00 0.60 0.12 0.00 -1.71 0.00 0.00 66.02 65.04 2dax s SER 68 CO 0.00 -1.20 0.61 0.47 1.20 0.00 0.00 173.24 174.33 2dax n ASP 69 N -1.31 -2.11 -3.35 5.45 8.00 -1.26 -0.31 116.55 121.66 2dax n ASP 69 Ca -0.04 -1.07 -0.22 0.00 0.71 0.00 0.00 54.79 54.17 2dax n ASP 69 Cb 0.59 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.12 39.11 2dax n ASP 69 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2dax n GLU 70 N -4.36 -1.53 -4.42 -1.24 2.13 -1.26 -4.86 120.64 105.09 2dax n GLU 70 Ca -0.03 0.07 -0.27 0.00 0.66 0.00 0.00 57.16 57.59 2dax n GLU 70 Cb 0.54 -3.95 -0.09 0.00 0.27 0.00 0.00 31.44 28.21 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 -5.51 2.08 0.25 5.31 1.02 0.57 -5.08 119.74 118.38 2dax s LYS 71 Ca 0.43 -2.01 0.11 0.00 0.02 0.00 0.00 55.97 54.52 2dax s LYS 71 Cb -0.25 -1.78 -0.05 0.00 -0.52 0.00 0.00 37.83 35.23 2dax s LYS 71 CO 0.53 -0.10 -0.20 -1.64 -0.92 0.00 0.00 175.35 173.02 2dax s MET 72 N -3.80 1.58 0.12 1.68 -1.94 -1.26 -3.19 119.30 112.48 2dax s MET 72 Ca 0.36 -1.67 -0.17 0.00 -1.71 0.00 0.00 55.69 52.50 2dax s MET 72 Cb 0.07 -1.68 0.04 0.00 2.01 0.00 0.00 34.83 35.27 2dax s MET 72 CO 0.19 0.32 0.43 0.00 -0.01 0.00 0.00 175.02 175.96 2dax s ALA 73 N -2.35 -1.04 0.14 3.03 0.00 -0.10 -4.96 121.76 116.48 2dax s ALA 73 Ca 0.26 0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 2dax s ALA 73 Cb -0.05 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 2dax s ALA 73 CO 0.12 -0.64 0.34 1.41 0.00 0.00 0.00 175.76 177.00 2dax s MET 74 N -3.62 3.55 -0.06 0.00 1.75 -1.26 -0.84 119.30 118.82 2dax s MET 74 Ca 0.02 -0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.24 2dax s MET 74 Cb 0.01 -2.89 0.01 0.00 2.84 0.00 0.00 34.83 34.80 2dax s MET 74 CO -0.11 0.48 -0.15 -0.06 -0.65 0.00 0.00 175.02 174.53 2dax s PHE 75 N -1.68 1.66 -0.39 4.11 0.40 -0.86 -4.81 117.98 116.41 2dax s PHE 75 Ca 0.39 -0.58 -0.17 0.00 -0.60 0.00 0.00 56.93 55.97 2dax s PHE 75 Cb -0.12 -1.17 0.01 0.00 0.51 0.00 0.00 43.02 42.25 2dax s PHE 75 CO 0.27 -0.26 0.43 0.45 0.70 0.00 0.00 175.22 176.81 2dax s SER 76 N 0.43 6.21 -0.66 1.36 0.15 -0.96 -2.79 113.70 117.45 2dax s SER 76 Ca -0.12 -0.45 -0.08 0.00 0.70 0.00 0.00 55.95 56.00 2dax s SER 76 Cb -0.15 -2.22 0.17 0.00 -1.71 0.00 0.00 66.02 62.11 2dax s SER 76 CO 0.04 -0.50 0.53 -0.76 1.20 0.00 0.00 173.24 173.75 2dax s LEU 77 N 2.16 5.89 -0.81 3.45 1.02 -1.11 -2.03 118.68 127.26 2dax s LEU 77 Ca 0.13 -2.56 -0.25 0.00 0.02 0.00 0.00 54.13 51.46 2dax s LEU 77 Cb -0.17 -2.02 0.01 0.00 0.02 0.00 0.00 46.19 44.03 2dax s LEU 77 CO 0.13 -0.52 1.59 0.00 0.02 0.00 0.00 176.35 177.57 2dax s ALA 78 N 0.37 2.39 -0.34 4.21 0.00 -1.09 -2.88 121.76 124.42 2dax s ALA 78 Ca 0.14 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.52 2dax s ALA 78 Cb -0.18 -4.39 -0.02 0.00 0.00 0.00 0.00 23.12 18.53 2dax s ALA 78 CO -0.05 -3.81 0.34 0.00 0.00 0.00 0.00 175.76 172.24 2dax s ILE 80 N 1.97 3.17 -0.28 0.00 1.01 -1.25 -2.78 121.20 123.03 2dax s ILE 80 Ca 0.11 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 2dax s ILE 80 Cb -0.17 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 2dax s ILE 80 CO 0.11 0.49 0.43 -0.76 0.00 0.00 0.00 174.94 175.21 2dax s LEU 81 N 0.82 4.12 0.00 2.97 1.43 -0.72 -1.68 118.68 125.62 2dax s LEU 81 Ca -0.03 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2dax s LEU 81 Cb -0.15 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.58 2dax s LEU 81 CO 0.01 -0.27 0.06 -0.81 0.23 0.00 0.00 176.35 175.57 2dax n PRO 82 N 5.46 -1.15 -1.02 1.29 -0.04 -1.26 -3.12 135.00 135.16 2dax n PRO 82 Ca -0.07 -0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 2dax n PRO 82 Cb 0.50 -0.09 0.29 0.00 -0.04 0.00 0.00 33.50 34.15 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 -2.65 2.47 0.00 0.54 3.72 -1.26 -4.23 117.46 116.05 2dax n PHE 83 Ca 0.01 -1.23 0.00 0.00 -0.05 0.00 0.00 57.45 56.18 2dax n PHE 83 Cb 0.03 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 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 -0.21 0.44 -0.96 -1.08 5.02 -1.26 -5.04 118.16 115.06 2dax n LYS 84 Ca 0.42 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.38 2dax n LYS 84 Cb 1.39 -0.89 -0.02 0.00 -0.02 0.00 0.00 35.03 35.49 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 -2.20 -0.49 0.48 2.13 9.36 -1.25 -0.45 117.16 124.75 2dax n TYR 85 Ca 0.00 0.64 0.07 0.00 3.32 0.00 0.00 57.90 61.93 2dax n TYR 85 Cb 0.39 -1.34 0.31 0.00 -0.63 0.00 0.00 39.34 38.07 2dax n TYR 85 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2dax n PRO 86 N 0.73 0.01 0.00 2.98 -0.04 -1.26 -4.81 135.00 132.60 2dax n PRO 86 Ca 0.12 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2dax n PRO 86 Cb 0.19 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.51 0.00 -3.03 0.55 0.00 0.40 -4.09 120.51 112.83 2dax n ALA 87 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 2dax n ALA 87 Cb 0.17 0.23 -0.12 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 -2.54 3.89 0.89 0.00 -7.23 -1.26 -4.53 120.40 109.62 2dax s VAL 88 Ca 0.00 -0.35 -0.15 0.00 -1.81 0.00 0.00 61.98 59.67 2dax s VAL 88 Cb 0.00 -2.73 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 2dax s VAL 88 CO 0.00 0.47 -0.08 0.18 -0.31 0.00 0.00 175.10 175.35 2dax n LEU 89 N 3.84 -2.57 0.00 1.32 4.77 -1.26 -3.75 117.00 119.36 2dax n LEU 89 Ca -0.17 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2dax n LEU 89 Cb 0.52 -1.01 0.08 0.00 -2.33 0.00 0.00 43.42 40.68 2dax n LEU 89 CO 0.32 -4.57 0.19 -0.81 -1.33 0.00 0.00 177.39 171.19 2dax n PRO 90 N 0.35 -1.68 -3.11 3.23 -0.04 -1.26 -4.81 135.00 127.69 2dax n PRO 90 Ca 0.04 -0.54 -0.25 0.00 -0.04 0.00 0.00 63.50 62.71 2dax n PRO 90 Cb 0.53 -0.51 -0.05 0.00 -0.04 0.00 0.00 33.50 33.44 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 -2.54 2.46 -2.17 0.54 -0.58 -0.68 -4.97 120.64 112.71 2dax n GLU 91 Ca 0.05 -4.41 -0.41 0.00 -0.42 0.00 0.00 57.16 51.96 2dax n GLU 91 Cb 0.18 -2.06 -0.03 0.00 -0.57 0.00 0.00 31.44 28.96 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 -3.42 3.05 -0.34 -3.67 1.01 -1.25 -3.94 121.20 112.64 2dax s ILE 92 Ca 0.44 0.88 0.02 0.00 0.00 0.00 0.00 60.65 61.99 2dax s ILE 92 Cb 0.26 -3.56 0.10 0.00 0.01 0.00 0.00 42.46 39.27 2dax s ILE 92 CO -0.10 0.14 0.09 -0.89 0.00 0.00 0.00 174.94 174.18 2dax s THR 93 N -0.02 1.61 0.13 2.92 2.01 -0.35 -4.90 115.64 117.03 2dax s THR 93 Ca 0.57 -1.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.28 2dax s THR 93 Cb -0.38 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 2dax s THR 93 CO 0.40 -0.66 1.10 -0.69 -0.69 0.00 0.00 174.62 174.08 2dax s VAL 94 N 1.14 4.07 0.06 3.82 1.01 -1.26 -2.65 120.40 126.59 2dax s VAL 94 Ca 0.11 1.67 -0.07 0.00 0.00 0.00 0.00 61.98 63.69 2dax s VAL 94 Cb -0.19 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 2dax s VAL 94 CO -0.15 0.23 0.13 0.00 0.00 0.00 0.00 175.10 175.32 2dax s ARG 95 N 0.14 0.72 -0.30 2.72 1.70 -0.86 -4.82 118.95 118.26 2dax s ARG 95 Ca 0.52 -0.90 -0.15 0.00 -0.47 0.00 0.00 55.73 54.72 2dax s ARG 95 Cb -0.28 0.29 0.16 0.00 -0.57 0.00 0.00 34.95 34.55 2dax s ARG 95 CO 0.32 -0.20 0.97 0.45 -1.08 0.00 0.00 175.30 175.76 2dax s SER 96 N -2.58 -0.60 0.41 -2.89 0.15 -1.26 -2.26 113.70 104.67 2dax s SER 96 Ca 0.01 0.84 0.26 0.00 0.70 0.00 0.00 55.95 57.76 2dax s SER 96 Cb 0.03 1.63 1.36 0.00 -1.71 0.00 0.00 66.02 67.33 2dax s SER 96 CO -0.08 -0.12 1.61 0.58 1.20 0.00 0.00 173.24 176.43 2dax h VAL 97 N 5.45 0.11 0.34 4.45 2.07 -2.02 0.18 116.25 126.83 2dax h VAL 97 Ca -0.17 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2dax h VAL 97 Cb 1.13 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2dax h VAL 97 CO 0.10 0.02 -0.35 -0.07 0.02 0.00 0.00 177.57 177.28 2dax h LEU 98 N 0.09 -0.96 -9.87 2.57 3.38 -1.95 -3.43 115.31 105.14 2dax h LEU 98 Ca 0.82 0.08 -0.36 0.00 0.09 0.00 0.00 57.88 58.51 2dax h LEU 98 Cb 2.39 0.33 0.21 0.00 0.09 0.00 0.00 40.66 43.67 2dax h LEU 98 CO -0.54 -0.49 -0.17 0.18 0.09 0.00 0.00 178.44 177.51 2dax n LEU 99 N -5.46 -0.60 -4.25 1.67 4.77 0.65 -5.04 117.00 108.74 2dax n LEU 99 Ca -0.10 -0.75 -0.28 0.00 -0.03 0.00 0.00 56.01 54.86 2dax n LEU 99 Cb 0.36 -1.01 -0.16 0.00 -2.33 0.00 0.00 43.42 40.28 2dax n LEU 99 CO 0.28 -4.35 -0.54 -0.44 -1.33 0.00 0.00 177.39 171.01 2dax s SER 100 N -2.88 2.62 0.44 -1.43 0.01 -1.26 -4.91 113.70 106.28 2dax s SER 100 Ca 0.64 -0.41 0.39 0.00 1.31 0.00 0.00 55.95 57.89 2dax s SER 100 Cb -0.13 -0.29 1.37 0.00 0.21 0.00 0.00 66.02 67.18 2dax s SER 100 CO 0.55 0.27 1.25 -1.14 0.41 0.00 0.00 173.24 174.59 2dax n ARG 101 N 2.51 -0.00 -0.06 12.44 3.00 -1.26 0.53 116.66 133.82 2dax n ARG 101 Ca -0.15 0.89 -0.07 0.00 -0.00 0.00 0.00 57.85 58.51 2dax n ARG 101 Cb 0.52 -2.01 -0.05 0.00 0.00 0.00 0.00 32.46 30.93 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 0.00 0.11 6.15 0.02 -2.00 -3.25 113.55 114.57 2dax h SER 102 Ca 0.75 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 61.39 2dax h SER 102 Cb 2.95 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 65.44 2dax h SER 102 CO -0.05 0.78 -0.45 1.56 -1.14 0.00 0.00 176.83 177.52 2dax h GLN 103 N -1.00 -0.65 -0.77 3.45 4.20 -0.30 -2.19 115.11 117.85 2dax h GLN 103 Ca -0.03 0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.88 2dax h GLN 103 Cb 0.49 0.15 -0.14 0.00 0.30 0.00 0.00 27.48 28.27 2dax h GLN 103 CO -0.02 -0.43 -0.14 0.37 -0.67 0.00 0.00 178.83 177.94 2dax h GLN 104 N -0.67 0.02 -1.01 1.46 5.75 -1.19 0.27 115.11 119.74 2dax h GLN 104 Ca 0.02 -0.00 0.40 0.00 -0.15 0.00 0.00 58.65 58.92 2dax h GLN 104 Cb 0.70 -0.00 -0.17 0.00 1.07 0.00 0.00 27.48 29.07 2dax h GLN 104 CO -0.26 0.01 0.55 1.15 -2.65 0.00 0.00 178.83 177.63 2dax h THR 105 N 0.02 0.06 -0.16 2.39 2.02 -1.42 0.87 112.91 116.69 2dax h THR 105 Ca 0.39 -0.02 -0.17 0.00 0.77 0.00 0.00 66.41 67.38 2dax h THR 105 Cb 0.63 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2dax h THR 105 CO -0.77 0.01 -0.56 -0.61 0.37 0.00 0.00 175.52 173.97 2dax h GLN 106 N 0.07 0.66 0.05 6.66 5.75 -0.47 -3.00 115.11 124.84 2dax h GLN 106 Ca 0.83 -0.50 0.03 0.00 -0.15 0.00 0.00 58.65 58.86 2dax h GLN 106 Cb 2.14 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 30.74 2dax h GLN 106 CO -0.73 1.12 -0.26 1.25 -2.65 0.00 0.00 178.83 177.56 2dax h LEU 107 N 0.34 -0.75 0.35 -2.39 6.46 0.94 -2.72 115.31 117.55 2dax h LEU 107 Ca -0.02 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2dax h LEU 107 Cb 1.18 0.30 -0.03 0.00 -0.73 0.00 0.00 40.66 41.38 2dax h LEU 107 CO 0.12 -0.33 -0.47 0.78 -0.62 0.00 0.00 178.44 177.91 2dax h ASN 108 N -0.42 -1.34 -1.34 1.25 2.35 -1.34 0.17 115.58 114.91 2dax h ASN 108 Ca 0.05 0.12 0.46 0.00 -0.55 0.00 0.00 56.30 56.37 2dax h ASN 108 Cb 0.48 0.46 -0.13 0.00 0.05 0.00 0.00 38.32 39.19 2dax h ASN 108 CO -0.19 -0.58 0.87 0.41 -1.65 0.00 0.00 177.43 176.28 2dax n THR 109 N -5.25 -0.22 -0.07 2.81 -1.04 -1.13 -0.22 114.28 109.16 2dax n THR 109 Ca -0.10 1.67 -0.10 0.00 -2.04 0.00 0.00 64.05 63.48 2dax n THR 109 Cb 0.41 -2.74 -0.08 0.00 -1.82 0.00 0.00 70.33 66.11 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 0.00 -0.59 8.00 5.19 -0.96 -3.25 116.42 124.82 2dax h ASP 110 Ca 0.83 -0.50 0.05 0.00 -0.62 0.00 0.00 57.03 56.79 2dax h ASP 110 Cb 2.74 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 42.18 2dax h ASP 110 CO -0.40 0.90 -0.35 -0.11 -3.12 0.00 0.00 179.24 176.16 2dax n LEU 111 N -4.63 -0.62 0.19 1.55 7.94 0.69 -0.77 117.00 121.35 2dax n LEU 111 Ca -0.10 1.24 -0.16 0.00 -1.11 0.00 0.00 56.01 55.87 2dax n LEU 111 Cb 0.34 -0.23 -0.08 0.00 0.53 0.00 0.00 43.42 43.98 2dax n LEU 111 CO 0.19 -0.95 0.57 0.74 -1.11 0.00 0.00 177.39 176.83 2dax h THR 112 N 0.00 0.11 -0.86 1.96 2.02 -1.62 -2.81 112.91 111.71 2dax h THR 112 Ca 0.09 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.38 2dax h THR 112 Cb 0.24 0.11 -0.12 0.00 -1.74 0.00 0.00 68.15 66.64 2dax h THR 112 CO -0.55 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 174.91 2dax n ALA 113 N -2.81 -0.34 -0.32 6.16 0.00 0.05 0.14 120.51 123.40 2dax n ALA 113 Ca -0.09 0.79 0.02 0.00 0.00 0.00 0.00 53.44 54.15 2dax n ALA 113 Cb 0.41 -0.24 0.07 0.00 0.00 0.00 0.00 19.45 19.69 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 -5.16 0.14 0.08 0.00 7.35 -0.48 -0.10 117.46 119.29 2dax n PHE 114 Ca 0.05 1.04 -0.13 0.00 -0.76 0.00 0.00 57.45 57.65 2dax n PHE 114 Cb 0.28 -0.89 -0.08 0.00 0.35 0.00 0.00 39.48 39.13 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 -0.16 -1.35 -2.13 3.38 -0.35 -2.42 115.31 112.28 2dax h LEU 115 Ca 0.34 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2dax h LEU 115 Cb 0.55 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2dax h LEU 115 CO -0.86 0.16 0.54 1.56 0.09 0.00 0.00 178.44 179.94 2dax h GLN 116 N -0.49 0.00 0.00 1.13 4.20 0.44 0.18 115.11 120.58 2dax h GLN 116 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2dax h GLN 116 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2dax h GLN 116 CO 0.03 0.00 -0.19 -0.22 -0.67 0.00 0.00 178.83 177.79 2dax h LYS 117 N 0.00 0.00 0.00 1.46 3.11 -0.65 -3.44 116.57 117.05 2dax h LYS 117 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2dax h LYS 117 Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 2dax h LYS 117 CO 0.00 0.00 -0.11 0.45 -2.81 0.00 0.00 179.45 176.98 2dax h HIS 118 N -0.50 0.00 -1.00 1.91 -0.00 -0.93 -3.42 115.15 111.21 2dax h HIS 118 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 59.88 2dax h HIS 118 Cb 0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 27.51 2dax h HIS 118 CO -0.08 0.00 1.23 0.00 -0.00 0.00 0.00 177.93 179.08 2dax s HIS 120 N 6.76 1.33 0.00 0.00 5.04 -1.21 -3.67 115.29 123.54 2dax s HIS 120 Ca 0.54 -1.25 0.00 0.00 -1.54 0.00 0.00 55.06 52.81 2dax s HIS 120 Cb -0.02 -1.31 0.00 0.00 0.04 0.00 0.00 32.58 31.29 2dax s HIS 120 CO -0.06 -0.73 0.00 0.41 -2.34 0.00 0.00 174.74 172.01 2dax n GLY 121 N 4.96 0.58 3.43 1.59 0.00 -1.26 -5.07 105.19 109.42 2dax n GLY 121 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.97 3.34 -0.85 1.61 1.01 -1.26 -4.68 116.67 112.86 2dax s ASP 122 Ca 0.00 -0.99 -0.24 0.00 0.71 0.00 0.00 52.55 52.03 2dax s ASP 122 Cb 0.00 -0.26 0.05 0.00 1.01 0.00 0.00 42.92 43.73 2dax s ASP 122 CO 0.00 0.02 1.28 0.68 0.21 0.00 0.00 175.17 177.36 2dax s VAL 123 N -2.39 3.99 -0.42 -1.27 -7.23 -1.26 -4.91 120.40 106.91 2dax s VAL 123 Ca 0.26 -0.36 0.02 0.00 -1.81 0.00 0.00 61.98 60.09 2dax s VAL 123 Cb -0.05 -4.92 0.14 0.00 0.56 0.00 0.00 36.38 32.11 2dax s VAL 123 CO 0.12 -1.79 0.26 0.00 -0.31 0.00 0.00 175.10 173.38 2dax h ILE 125 N 5.03 0.77 -0.25 0.00 1.08 -2.00 -3.38 117.51 118.76 2dax h ILE 125 Ca 0.06 -2.42 0.00 0.00 -0.39 0.00 0.00 64.86 62.11 2dax h ILE 125 Cb 0.93 2.63 -0.01 0.00 -3.07 0.00 0.00 36.82 37.29 2dax h ILE 125 CO 0.40 0.88 0.16 -0.07 -0.69 0.00 0.00 178.15 178.84 2dax h LEU 126 N 0.09 0.29 -1.76 1.44 3.38 -2.00 -2.29 115.31 114.46 2dax h LEU 126 Ca -0.39 -0.02 0.54 0.00 0.09 0.00 0.00 57.88 58.10 2dax h LEU 126 Cb 2.07 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 42.64 2dax h LEU 126 CO 0.13 0.22 1.23 0.59 0.09 0.00 0.00 178.44 180.70 2dax n ASN 127 N -4.90 0.08 0.08 -0.43 4.13 -1.26 -0.28 115.26 112.68 2dax n ASN 127 Ca -0.02 1.15 -0.06 0.00 1.68 0.00 0.00 54.58 57.33 2dax n ASN 127 Cb 0.03 -0.57 -0.03 0.00 -1.54 0.00 0.00 39.78 37.67 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 1.23 -0.30 -0.11 5.41 0.00 -1.62 -2.20 119.26 121.68 2dax h ALA 128 Ca 0.92 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.76 2dax h ALA 128 Cb 3.44 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 21.34 2dax h ALA 128 CO -0.19 -0.29 0.41 1.79 0.00 0.00 0.00 179.25 180.97 2dax h THR 129 N -1.05 0.08 0.05 0.00 1.35 -0.63 0.42 112.91 113.14 2dax h THR 129 Ca -0.03 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.53 2dax h THR 129 Cb 0.31 0.61 -0.03 0.00 -1.73 0.00 0.00 68.15 67.32 2dax h THR 129 CO 0.05 0.00 -1.67 -0.33 -0.25 0.00 0.00 175.52 173.32 2dax h GLU 130 N 0.00 0.11 0.00 4.72 5.08 -1.14 -2.98 114.58 120.37 2dax h GLU 130 Ca 0.05 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2dax h GLU 130 Cb 0.87 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2dax h GLU 130 CO -0.00 0.81 -0.26 2.35 -1.00 0.00 0.00 179.01 180.91 2dax h TRP 131 N 0.03 0.00 0.00 4.33 7.01 0.31 -3.35 115.95 124.28 2dax h TRP 131 Ca -0.28 0.00 -0.17 0.00 2.11 0.00 0.00 58.89 60.55 2dax h TRP 131 Cb 2.00 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 29.03 2dax h TRP 131 CO 0.03 0.00 -0.92 0.28 -2.79 0.00 0.00 178.44 175.04 2dax h VAL 132 N 0.00 1.16 -0.85 2.65 2.07 -0.67 -2.81 116.25 117.80 2dax h VAL 132 Ca 0.00 -2.23 0.25 0.00 0.82 0.00 0.00 66.70 65.54 2dax h VAL 132 Cb 0.91 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 33.21 2dax h VAL 132 CO 0.00 0.40 0.91 0.08 0.02 0.00 0.00 177.57 178.99 2dax h ARG 133 N -0.98 0.00 0.00 1.57 0.11 -1.66 0.33 114.38 113.75 2dax h ARG 133 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 2dax h ARG 133 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2dax h ARG 133 CO -0.15 0.00 -0.22 0.39 0.10 0.00 0.00 179.97 180.10 2dax n GLU 134 N -3.51 0.14 -0.30 0.08 1.02 -1.25 -4.34 120.64 112.47 2dax n GLU 134 Ca 0.18 0.19 0.13 0.00 -0.02 0.00 0.00 57.16 57.64 2dax n GLU 134 Cb 1.19 -0.89 0.28 0.00 -0.02 0.00 0.00 31.44 32.01 2dax n GLU 134 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dax h HIS 135 N -0.28 0.22 -0.26 -0.32 3.86 -1.20 -1.83 115.15 115.34 2dax h HIS 135 Ca 0.00 0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.29 2dax h HIS 135 Cb 0.22 0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 2dax h HIS 135 CO -0.09 -0.28 -0.19 0.00 0.86 0.00 0.00 177.93 178.23 2dax h ALA 136 N 1.83 -0.29 0.00 2.45 0.00 -0.58 1.12 119.26 123.77 2dax h ALA 136 Ca 0.55 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2dax h ALA 136 Cb 1.13 1.02 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2dax h ALA 136 CO -0.72 -0.42 0.27 1.03 0.00 0.00 0.00 179.25 179.41 2dax h SER 137 N -0.05 0.00 1.13 0.00 0.87 -1.53 0.31 113.55 114.28 2dax h SER 137 Ca 0.04 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 2dax h SER 137 Cb 0.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2dax h SER 137 CO -0.27 0.00 -0.39 1.23 -0.53 0.00 0.00 176.83 176.87 2dax h GLY 138 N 0.00 0.00 0.52 5.77 0.00 0.15 -3.03 103.07 106.49 2dax h GLY 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dax h GLY 138 CO 0.00 0.00 -1.37 -1.72 0.00 0.00 0.00 176.54 173.45 2dax n TYR 139 N -3.37 0.44 1.51 5.60 4.01 0.11 -3.95 117.16 121.50 2dax n TYR 139 Ca 0.01 0.13 0.14 0.00 -0.16 0.00 0.00 57.90 58.01 2dax n TYR 139 Cb 0.58 -0.65 0.53 0.00 -0.31 0.00 0.00 39.34 39.49 2dax n TYR 139 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2dax n VAL 140 N -2.33 0.01 0.02 -0.72 0.31 -1.06 -4.01 118.33 110.54 2dax n VAL 140 Ca -0.01 -0.24 -0.19 0.00 -0.01 0.00 0.00 64.34 63.89 2dax n VAL 140 Cb 0.53 0.45 -0.13 0.00 -0.91 0.00 0.00 33.84 33.78 2dax n VAL 140 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2dax h SER 141 N 2.25 0.47 -4.43 4.52 0.02 -1.65 -3.44 113.55 111.30 2dax h SER 141 Ca 0.00 -0.86 0.12 0.00 -0.84 0.00 0.00 61.79 60.20 2dax h SER 141 Cb 0.48 -0.15 -0.18 0.00 0.14 0.00 0.00 62.40 62.69 2dax h SER 141 CO 0.00 1.29 0.54 0.00 -1.14 0.00 0.00 176.83 177.52 2dax s ARG 142 N -2.79 0.69 -0.57 3.45 1.70 -1.26 -5.11 118.95 115.06 2dax s ARG 142 Ca -0.14 -0.13 -0.23 0.00 -0.47 0.00 0.00 55.73 54.76 2dax s ARG 142 Cb 0.02 0.32 0.05 0.00 -0.57 0.00 0.00 34.95 34.77 2dax s ARG 142 CO 0.82 -0.28 0.92 0.16 -1.08 0.00 0.00 175.30 175.84 2dax s ASP 143 N -1.99 6.30 -0.25 -2.89 -4.77 -1.26 -4.85 116.67 106.95 2dax s ASP 143 Ca 0.03 -0.52 -0.26 0.00 -3.30 0.00 0.00 52.55 48.50 2dax s ASP 143 Cb -0.01 -2.42 0.10 0.00 -1.09 0.00 0.00 42.92 39.50 2dax s ASP 143 CO -0.05 -1.24 0.87 0.28 0.70 0.00 0.00 175.17 175.73 2dax s THR 144 N 3.85 0.00 -0.26 2.11 -1.32 -1.26 -5.07 115.64 113.70 2dax s THR 144 Ca 0.27 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.73 2dax s THR 144 Cb -0.14 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 69.69 2dax s THR 144 CO 0.17 0.00 -0.24 -1.54 -2.21 0.00 0.00 174.62 170.79 2dax n SER 145 N 2.21 1.98 -0.07 8.08 3.41 -1.26 -4.52 113.62 123.44 2dax n SER 145 Ca -0.13 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.41 2dax n SER 145 Cb 0.56 -0.54 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2dax n SER 145 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dax h SER 146 N -0.27 -0.24 -2.82 4.04 0.02 -2.03 -3.42 113.55 108.82 2dax h SER 146 Ca -0.61 0.08 -0.49 0.00 -0.84 0.00 0.00 61.79 59.94 2dax h SER 146 Cb 1.82 0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.53 2dax h SER 146 CO -0.18 -0.08 -0.21 -0.44 -1.14 0.00 0.00 176.83 174.78 2dax s SER 147 N -5.22 6.32 0.00 3.07 0.01 -1.26 -4.81 113.70 111.82 2dax s SER 147 Ca -0.14 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2dax s SER 147 Cb 0.12 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.32 2dax s SER 147 CO 0.69 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.71 2dax n GLY 148 N -1.54 1.34 0.00 3.44 0.00 -1.26 -4.80 105.19 102.37 2dax n GLY 148 Ca -0.05 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 0.32 -3.32 1.61 -0.04 -1.26 -4.87 135.00 127.44 2dax n PRO 149 Ca 0.00 0.09 -0.16 0.00 -0.04 0.00 0.00 63.50 63.39 2dax n PRO 149 Cb 0.00 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.04 2dax n PRO 149 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dax n SER 150 N -1.17 -2.16 -0.06 3.54 7.64 -1.26 -4.95 113.62 115.20 2dax n SER 150 Ca 0.09 -0.58 -0.20 0.00 1.01 0.00 0.00 58.87 59.20 2dax n SER 150 Cb 0.09 -4.80 -0.13 0.00 -1.01 0.00 0.00 64.21 58.36 2dax n SER 150 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dax h SER 151 N -1.74 0.12 0.00 6.43 0.02 -1.93 -3.55 113.55 112.90 2dax h SER 151 Ca -0.55 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 59.65 2dax h SER 151 Cb 1.31 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2dax h SER 151 CO 0.46 1.39 0.00 0.61 -1.14 0.00 0.00 176.83 178.16