#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpt s SER 2 N 0.00 5.56 -0.03 1.61 0.01 -1.26 -4.90 113.70 114.69 2cpt s SER 2 Ca 0.00 1.10 -0.38 0.00 1.31 0.00 0.00 55.95 57.98 2cpt s SER 2 Cb 0.00 -2.52 -0.17 0.00 0.21 0.00 0.00 66.02 63.54 2cpt s SER 2 CO 0.00 -2.01 1.46 -1.54 0.41 0.00 0.00 173.24 171.56 2cpt n SER 3 N 11.56 1.82 -3.40 2.44 3.41 -1.26 -4.82 113.62 123.38 2cpt n SER 3 Ca 0.24 1.11 -0.40 0.00 -0.26 0.00 0.00 58.87 59.56 2cpt n SER 3 Cb 0.49 -1.17 -0.02 0.00 -0.26 0.00 0.00 64.21 63.25 2cpt n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cpt n GLY 4 N 3.01 4.58 3.51 5.00 0.00 -1.26 -4.93 105.19 115.11 2cpt n GLY 4 Ca 0.21 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 2cpt n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cpt n SER 5 N 3.12 0.85 -3.37 1.61 7.64 -1.26 -4.80 113.62 117.41 2cpt n SER 5 Ca 0.71 -0.04 0.02 0.00 1.01 0.00 0.00 58.87 60.57 2cpt n SER 5 Cb 0.25 -1.11 -0.04 0.00 -1.01 0.00 0.00 64.21 62.30 2cpt n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cpt s SER 6 N 9.82 -0.45 0.15 6.43 1.04 -1.26 -5.08 113.70 124.34 2cpt s SER 6 Ca 1.25 0.62 0.00 0.00 0.48 0.00 0.00 55.95 58.30 2cpt s SER 6 Cb -0.94 1.49 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2cpt s SER 6 CO 0.42 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.17 2cpt n GLY 7 N 4.77 -1.84 3.59 7.32 0.00 -1.26 -5.10 105.19 112.67 2cpt n GLY 7 Ca -0.09 0.48 -0.47 0.00 0.00 0.00 0.00 46.02 45.94 2cpt n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cpt n MET 8 N -2.69 1.83 -1.70 1.61 2.00 -1.26 -4.87 117.12 112.04 2cpt n MET 8 Ca 0.00 0.58 -0.44 0.00 0.00 0.00 0.00 57.70 57.85 2cpt n MET 8 Cb 0.00 -2.80 -0.03 0.00 0.00 0.00 0.00 33.22 30.39 2cpt n MET 8 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2cpt n SER 9 N 9.25 3.30 -4.55 7.83 3.41 -1.26 -4.82 113.62 126.78 2cpt n SER 9 Ca 0.30 1.12 -0.40 0.00 -0.26 0.00 0.00 58.87 59.63 2cpt n SER 9 Cb 0.33 -1.50 -0.04 0.00 -0.26 0.00 0.00 64.21 62.74 2cpt n SER 9 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cpt n SER 10 N 2.60 2.49 -4.83 4.04 7.64 -1.26 -4.93 113.62 119.36 2cpt n SER 10 Ca 0.12 -0.13 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 2cpt n SER 10 Cb 0.33 -1.50 0.03 0.00 -1.01 0.00 0.00 64.21 62.06 2cpt n SER 10 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2cpt s THR 11 N 10.19 4.25 0.66 0.44 -1.32 -1.26 -5.05 115.64 123.54 2cpt s THR 11 Ca 1.03 0.79 -0.11 0.00 -1.21 0.00 0.00 61.69 62.19 2cpt s THR 11 Cb -0.37 -3.56 -0.02 0.00 -1.51 0.00 0.00 72.50 67.04 2cpt s THR 11 CO 0.33 -0.89 1.05 -0.44 -2.21 0.00 0.00 174.62 172.46 2cpt s SER 12 N -3.73 5.86 0.18 8.08 0.01 -1.26 -4.95 113.70 117.88 2cpt s SER 12 Ca 0.58 1.45 -0.06 0.00 1.31 0.00 0.00 55.95 59.22 2cpt s SER 12 Cb -0.13 -2.41 0.08 0.00 0.21 0.00 0.00 66.02 63.76 2cpt s SER 12 CO 0.51 -1.11 1.53 1.55 0.41 0.00 0.00 173.24 176.12 2cpt h PRO 13 N -0.49 0.75 -0.28 12.44 0.13 -1.99 -2.36 132.00 140.20 2cpt h PRO 13 Ca -0.44 -0.40 -0.03 0.00 -0.87 0.00 0.00 66.00 64.26 2cpt h PRO 13 Cb 1.20 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2cpt h PRO 13 CO 0.61 1.02 0.06 -0.91 -0.23 0.00 0.00 178.00 178.54 2cpt h ASN 14 N 0.61 0.43 0.17 1.44 2.35 -1.96 -2.48 115.58 116.15 2cpt h ASN 14 Ca 0.05 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 2cpt h ASN 14 Cb 0.96 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.22 2cpt h ASN 14 CO 0.09 0.57 -0.08 0.25 -1.65 0.00 0.00 177.43 176.61 2cpt h LEU 15 N 0.28 -0.20 -0.70 1.61 5.85 -1.86 -2.54 115.31 117.75 2cpt h LEU 15 Ca 0.09 -0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.85 2cpt h LEU 15 Cb 0.31 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.28 2cpt h LEU 15 CO 0.00 -0.01 0.12 -0.61 -0.34 0.00 0.00 178.44 177.60 2cpt h GLN 16 N -0.38 0.21 -0.87 1.25 5.75 -1.42 0.88 115.11 120.54 2cpt h GLN 16 Ca -0.02 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 2cpt h GLN 16 Cb 0.29 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.74 2cpt h GLN 16 CO 0.04 0.14 0.56 -0.22 -2.65 0.00 0.00 178.83 176.70 2cpt h LYS 17 N 0.22 1.07 -0.58 1.69 3.64 -1.30 -2.17 116.57 119.14 2cpt h LYS 17 Ca 0.39 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 2cpt h LYS 17 Cb 0.65 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 2cpt h LYS 17 CO -0.52 0.71 0.34 0.00 -2.27 0.00 0.00 179.45 177.71 2cpt h ALA 18 N 1.36 0.75 0.72 5.00 0.00 -0.42 -0.29 119.26 126.38 2cpt h ALA 18 Ca 0.34 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2cpt h ALA 18 Cb -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.63 2cpt h ALA 18 CO -0.11 0.06 -0.35 0.82 0.00 0.00 0.00 179.25 179.67 2cpt h ILE 19 N 0.67 0.27 -0.45 0.00 2.04 -0.84 -1.72 117.51 117.48 2cpt h ILE 19 Ca 0.24 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 66.12 2cpt h ILE 19 Cb 0.05 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.35 2cpt h ILE 19 CO -0.12 0.01 0.01 -0.78 0.00 0.00 0.00 178.15 177.27 2cpt h ASP 20 N -1.02 -0.18 0.07 1.72 1.82 -1.29 -0.73 116.42 116.82 2cpt h ASP 20 Ca -0.10 0.10 0.02 0.00 -0.39 0.00 0.00 57.03 56.67 2cpt h ASP 20 Cb 0.76 0.18 -0.05 0.00 0.68 0.00 0.00 39.33 40.90 2cpt h ASP 20 CO 0.16 -0.05 -0.39 -0.07 -1.61 0.00 0.00 179.24 177.28 2cpt h LEU 21 N 0.12 -1.15 -0.55 2.28 3.38 -0.97 0.95 115.31 119.37 2cpt h LEU 21 Ca 0.22 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.42 2cpt h LEU 21 Cb 0.32 0.44 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 2cpt h LEU 21 CO -0.37 -0.45 0.16 0.00 0.09 0.00 0.00 178.44 177.87 2cpt h ALA 22 N -0.03 0.67 -0.32 1.53 0.00 -0.86 -1.13 119.26 119.12 2cpt h ALA 22 Ca 0.04 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2cpt h ALA 22 Cb 0.64 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2cpt h ALA 22 CO -0.26 -0.25 0.15 1.03 0.00 0.00 0.00 179.25 179.93 2cpt h SER 23 N 0.32 0.22 -0.55 0.00 0.87 -0.54 -2.55 113.55 111.33 2cpt h SER 23 Ca 0.28 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.90 2cpt h SER 23 Cb 0.36 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 2cpt h SER 23 CO -0.31 0.17 0.29 0.50 -0.53 0.00 0.00 176.83 176.95 2cpt h LYS 24 N 0.32 0.55 -0.40 2.24 3.64 -0.08 -2.58 116.57 120.27 2cpt h LYS 24 Ca 0.13 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 2cpt h LYS 24 Cb 0.05 -0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 31.66 2cpt h LYS 24 CO -0.10 0.37 -0.44 0.00 -2.27 0.00 0.00 179.45 177.01 2cpt h ALA 25 N 1.28 -0.47 0.10 5.00 0.00 -0.81 -1.38 119.26 122.99 2cpt h ALA 25 Ca 0.24 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2cpt h ALA 25 Cb 0.12 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2cpt h ALA 25 CO -0.15 -0.89 -0.30 0.00 0.00 0.00 0.00 179.25 177.92 2cpt h ALA 26 N 0.37 -0.50 -0.90 0.00 0.00 -1.36 -1.73 119.26 115.14 2cpt h ALA 26 Ca 0.13 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.24 2cpt h ALA 26 Cb 0.59 0.49 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 2cpt h ALA 26 CO -0.57 -0.84 0.14 1.96 0.00 0.00 0.00 179.25 179.94 2cpt h GLN 27 N -0.51 0.11 0.44 0.00 1.08 -0.99 -0.19 115.11 115.05 2cpt h GLN 27 Ca 0.04 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2cpt h GLN 27 Cb 0.55 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2cpt h GLN 27 CO -0.19 0.07 -0.21 0.93 -0.95 0.00 0.00 178.83 178.49 2cpt h GLU 28 N 0.11 -0.57 -0.56 1.46 4.39 -0.61 -2.33 114.58 116.47 2cpt h GLU 28 Ca 0.55 0.04 0.06 0.00 0.34 0.00 0.00 59.36 60.35 2cpt h GLU 28 Cb 1.13 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 29.83 2cpt h GLU 28 CO -0.75 -0.29 -0.45 0.22 -1.16 0.00 0.00 179.01 176.57 2cpt h ASP 29 N -0.76 -1.60 -0.63 1.42 1.82 -0.20 0.23 116.42 116.71 2cpt h ASP 29 Ca -0.06 0.23 0.12 0.00 -0.39 0.00 0.00 57.03 56.93 2cpt h ASP 29 Cb 0.53 0.68 -0.09 0.00 0.68 0.00 0.00 39.33 41.13 2cpt h ASP 29 CO 0.10 -0.25 0.11 0.50 -1.61 0.00 0.00 179.24 178.09 2cpt h LYS 30 N -0.15 0.22 -0.03 0.28 3.64 -1.40 0.29 116.57 119.42 2cpt h LYS 30 Ca 0.09 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2cpt h LYS 30 Cb 0.40 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2cpt h LYS 30 CO -0.61 0.15 0.02 0.00 -2.27 0.00 0.00 179.45 176.74 2cpt h ALA 31 N 1.52 1.84 0.00 5.00 0.00 -0.33 -3.45 119.26 123.85 2cpt h ALA 31 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2cpt h ALA 31 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2cpt h ALA 31 CO -0.45 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.18 2cpt n GLY 32 N -1.46 1.36 3.39 0.00 0.00 0.10 -5.09 105.19 103.50 2cpt n GLY 32 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 2cpt n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cpt s ASN 33 N -1.49 6.16 -0.23 1.61 0.01 0.36 -4.90 114.94 116.46 2cpt s ASN 33 Ca 0.00 -1.30 -0.14 0.00 -0.71 0.00 0.00 52.86 50.71 2cpt s ASN 33 Cb 0.00 -2.19 -0.17 0.00 0.41 0.00 0.00 41.25 39.29 2cpt s ASN 33 CO 0.00 -0.68 -0.02 -1.22 -1.51 0.00 0.00 177.10 173.67 2cpt n TYR 34 N 5.30 0.58 -0.34 2.20 4.02 -1.26 -2.35 117.16 125.31 2cpt n TYR 34 Ca -0.12 0.21 0.08 0.00 -0.01 0.00 0.00 57.90 58.06 2cpt n TYR 34 Cb 0.44 -1.06 0.26 0.00 -0.02 0.00 0.00 39.34 38.96 2cpt n TYR 34 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2cpt h GLU 35 N -0.73 0.93 0.07 -0.72 4.22 -1.93 0.20 114.58 116.61 2cpt h GLU 35 Ca -0.51 -0.06 -0.23 0.00 0.08 0.00 0.00 59.36 58.64 2cpt h GLU 35 Cb 1.59 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 30.65 2cpt h GLU 35 CO -0.23 0.61 -0.94 1.49 -2.18 0.00 0.00 179.01 177.76 2cpt h GLU 36 N 0.95 0.52 -0.80 1.92 4.57 -1.98 -3.25 114.58 116.51 2cpt h GLU 36 Ca 0.48 -0.65 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 2cpt h GLU 36 Cb 0.50 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 2cpt h GLU 36 CO -0.24 1.26 0.47 0.00 -1.18 0.00 0.00 179.01 179.32 2cpt h ALA 37 N 0.28 1.33 0.44 2.92 0.00 -1.33 -2.88 119.26 120.00 2cpt h ALA 37 Ca -0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2cpt h ALA 37 Cb 1.65 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2cpt h ALA 37 CO 0.18 0.57 -0.34 1.25 0.00 0.00 0.00 179.25 180.91 2cpt h LEU 38 N 1.10 -0.90 -0.64 0.00 5.85 -0.70 0.35 115.31 120.36 2cpt h LEU 38 Ca 0.28 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.16 2cpt h LEU 38 Cb -0.03 0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.17 2cpt h LEU 38 CO -0.05 -0.48 -0.43 1.56 -0.34 0.00 0.00 178.44 178.70 2cpt h GLN 39 N -0.75 -0.18 -0.24 1.25 1.08 -1.58 -0.30 115.11 114.40 2cpt h GLN 39 Ca -0.06 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 2cpt h GLN 39 Cb 0.62 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.03 2cpt h GLN 39 CO 0.01 -0.12 -0.16 -0.07 -0.95 0.00 0.00 178.83 177.54 2cpt h LEU 40 N -0.19 -0.53 -1.38 1.46 3.38 -1.41 -0.25 115.31 116.40 2cpt h LEU 40 Ca 0.20 0.11 0.26 0.00 0.09 0.00 0.00 57.88 58.54 2cpt h LEU 40 Cb 0.56 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 2cpt h LEU 40 CO -0.73 -0.20 0.66 1.88 0.09 0.00 0.00 178.44 180.14 2cpt h TYR 41 N -0.15 0.65 0.05 1.13 0.05 0.75 0.23 116.97 119.69 2cpt h TYR 41 Ca 0.13 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 2cpt h TYR 41 Cb 0.35 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2cpt h TYR 41 CO -0.33 0.08 -0.02 1.96 -1.05 0.00 0.00 178.16 178.80 2cpt h GLN 42 N 0.41 -0.06 0.18 4.88 4.20 -0.02 -3.29 115.11 121.41 2cpt h GLN 42 Ca 0.58 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.31 2cpt h GLN 42 Cb 1.45 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.20 2cpt h GLN 42 CO -0.28 0.52 -0.39 0.45 -0.67 0.00 0.00 178.83 178.45 2cpt h HIS 43 N -0.72 -1.10 -0.79 2.96 3.86 0.09 -2.04 115.15 117.43 2cpt h HIS 43 Ca -0.01 0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.36 2cpt h HIS 43 Cb 0.61 0.46 -0.14 0.00 1.06 0.00 0.00 27.41 29.40 2cpt h HIS 43 CO 0.13 -0.51 -0.26 0.00 0.86 0.00 0.00 177.93 178.16 2cpt n ALA 44 N -2.78 0.03 0.14 2.45 0.00 -0.06 0.20 120.51 120.50 2cpt n ALA 44 Ca -0.08 0.82 -0.14 0.00 0.00 0.00 0.00 53.44 54.05 2cpt n ALA 44 Cb 0.37 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 2cpt n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2cpt h VAL 45 N 0.00 0.82 -0.92 0.00 2.07 -1.52 -1.58 116.25 115.12 2cpt h VAL 45 Ca 0.32 -0.30 0.17 0.00 0.82 0.00 0.00 66.70 67.71 2cpt h VAL 45 Cb 0.52 1.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.12 2cpt h VAL 45 CO -0.80 0.07 -0.29 1.56 0.02 0.00 0.00 177.57 178.13 2cpt h GLN 46 N -0.46 -0.01 0.13 1.57 4.20 0.45 0.65 115.11 121.63 2cpt h GLN 46 Ca -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2cpt h GLN 46 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2cpt h GLN 46 CO 0.05 -0.01 -0.06 1.88 -0.67 0.00 0.00 178.83 180.02 2cpt h TYR 47 N -0.02 -0.16 -0.80 2.96 0.05 -1.23 -2.76 116.97 115.02 2cpt h TYR 47 Ca 0.40 -0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.35 2cpt h TYR 47 Cb 0.64 0.05 -0.15 0.00 1.01 0.00 0.00 36.73 38.29 2cpt h TYR 47 CO -0.77 0.15 -0.10 0.74 -1.05 0.00 0.00 178.16 177.14 2cpt h PHE 48 N -0.48 -0.24 0.81 4.88 0.04 0.03 -1.25 116.94 120.72 2cpt h PHE 48 Ca -0.02 0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 2cpt h PHE 48 Cb 0.39 0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.77 2cpt h PHE 48 CO 0.03 -0.31 -0.43 -0.07 -0.60 0.00 0.00 178.31 176.92 2cpt h LEU 49 N 0.04 -1.06 -1.00 1.54 3.38 -0.93 -2.39 115.31 114.90 2cpt h LEU 49 Ca 0.41 0.05 0.31 0.00 0.09 0.00 0.00 57.88 58.75 2cpt h LEU 49 Cb 0.70 0.29 -0.18 0.00 0.09 0.00 0.00 40.66 41.56 2cpt h LEU 49 CO -0.77 -0.70 0.16 -0.74 0.09 0.00 0.00 178.44 176.48 2cpt h HIS 50 N -1.14 0.18 0.59 1.13 2.76 -0.96 0.36 115.15 118.07 2cpt h HIS 50 Ca -0.11 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 2cpt h HIS 50 Cb 0.90 0.09 0.01 0.00 1.55 0.00 0.00 27.41 29.95 2cpt h HIS 50 CO -0.05 -0.45 -0.28 0.28 -1.30 0.00 0.00 177.93 176.12 2cpt h VAL 51 N 0.00 0.39 0.00 5.26 2.07 -1.08 -2.18 116.25 120.72 2cpt h VAL 51 Ca 0.67 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 68.06 2cpt h VAL 51 Cb 1.51 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2cpt h VAL 51 CO -0.89 0.02 0.00 0.52 0.02 0.00 0.00 177.57 177.24 2cpt n VAL 52 N -5.40 1.26 0.01 2.57 0.31 0.53 0.22 118.33 117.84 2cpt n VAL 52 Ca -0.12 0.52 -0.07 0.00 -0.01 0.00 0.00 64.34 64.66 2cpt n VAL 52 Cb 0.34 -1.48 -0.05 0.00 -0.91 0.00 0.00 33.84 31.74 2cpt n VAL 52 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2cpt h LYS 53 N 0.00 -0.14 0.00 5.55 3.64 0.16 -3.41 116.57 122.38 2cpt h LYS 53 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2cpt h LYS 53 Cb 0.10 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2cpt h LYS 53 CO 0.00 0.20 -0.82 0.66 -2.27 0.00 0.00 179.45 177.23 2cpt n TYR 54 N -4.84 0.00 -0.34 1.91 4.02 -0.99 -4.75 117.16 112.17 2cpt n TYR 54 Ca -0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.79 2cpt n TYR 54 Cb 0.20 0.07 0.02 0.00 -0.02 0.00 0.00 39.34 39.61 2cpt n TYR 54 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2cpt n GLU 55 N -2.80 1.25 -0.52 -0.72 1.02 0.52 -4.91 120.64 114.48 2cpt n GLU 55 Ca 0.00 -0.51 -0.24 0.00 -0.02 0.00 0.00 57.16 56.39 2cpt n GLU 55 Cb 0.41 -1.20 0.21 0.00 -0.02 0.00 0.00 31.44 30.84 2cpt n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cpt n ALA 56 N 0.92 -3.36 0.06 0.62 0.00 0.59 -4.49 120.51 114.84 2cpt n ALA 56 Ca 0.10 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2cpt n ALA 56 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2cpt n ALA 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2cpt n GLN 57 N -4.54 0.00 -3.56 0.00 3.00 -1.26 -4.96 117.38 106.06 2cpt n GLN 57 Ca 0.11 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.01 2cpt n GLN 57 Cb 0.47 -0.18 -0.04 0.00 0.00 0.00 0.00 30.24 30.48 2cpt n GLN 57 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2cpt s GLY 58 N -4.01 -0.33 0.38 1.08 0.00 -1.26 -4.97 107.32 98.21 2cpt s GLY 58 Ca 0.00 1.70 0.24 0.00 0.00 0.00 0.00 44.72 46.66 2cpt s GLY 58 CO 0.00 0.78 1.49 1.34 0.00 0.00 0.00 173.10 176.72 2cpt n ASP 59 N 0.37 0.28 -0.10 1.64 2.03 -1.26 0.17 116.55 119.69 2cpt n ASP 59 Ca -0.09 1.48 -0.12 0.00 0.52 0.00 0.00 54.79 56.58 2cpt n ASP 59 Cb 0.59 -0.72 -0.04 0.00 -0.72 0.00 0.00 41.12 40.23 2cpt n ASP 59 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2cpt h LYS 60 N 0.00 0.61 0.10 -0.67 3.64 -2.01 -3.11 116.57 115.14 2cpt h LYS 60 Ca 0.82 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.93 2cpt h LYS 60 Cb 2.35 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 34.15 2cpt h LYS 60 CO -0.62 0.83 -0.05 0.00 -2.27 0.00 0.00 179.45 177.34 2cpt h ALA 61 N 0.76 -0.14 -0.97 5.00 0.00 0.14 -2.88 119.26 121.17 2cpt h ALA 61 Ca 0.07 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.84 2cpt h ALA 61 Cb 0.64 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 2cpt h ALA 61 CO 0.04 -0.33 -0.56 1.63 0.00 0.00 0.00 179.25 180.03 2cpt n LYS 62 N -4.93 -0.41 0.01 0.00 4.01 0.91 -0.52 118.16 117.22 2cpt n LYS 62 Ca -0.09 1.47 -0.10 0.00 -0.51 0.00 0.00 58.31 59.09 2cpt n LYS 62 Cb 0.25 -2.16 -0.04 0.00 -0.51 0.00 0.00 35.03 32.58 2cpt n LYS 62 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 2cpt h GLN 63 N 0.00 -0.14 -0.85 1.97 4.20 -1.62 0.17 115.11 118.84 2cpt h GLN 63 Ca 0.17 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.11 2cpt h GLN 63 Cb 0.41 0.03 -0.14 0.00 0.30 0.00 0.00 27.48 28.09 2cpt h GLN 63 CO -0.92 -0.09 0.19 0.77 -0.67 0.00 0.00 178.83 178.12 2cpt h SER 64 N -0.14 -0.05 0.03 1.46 0.02 -0.58 0.16 113.55 114.45 2cpt h SER 64 Ca 0.07 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2cpt h SER 64 Cb 0.25 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2cpt h SER 64 CO -0.18 -0.15 -0.02 0.40 -1.14 0.00 0.00 176.83 175.74 2cpt h ILE 65 N 0.20 1.39 -0.61 3.27 2.04 -0.45 -3.29 117.51 120.06 2cpt h ILE 65 Ca 0.52 -1.55 0.12 0.00 1.00 0.00 0.00 64.86 64.95 2cpt h ILE 65 Cb 1.02 2.40 -0.12 0.00 -0.74 0.00 0.00 36.82 39.38 2cpt h ILE 65 CO -0.65 0.38 -0.15 0.03 0.00 0.00 0.00 178.15 177.76 2cpt h ARG 66 N -0.75 -0.00 -0.95 2.37 3.08 0.39 0.15 114.38 118.66 2cpt h ARG 66 Ca -0.00 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.29 2cpt h ARG 66 Cb 0.66 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.59 2cpt h ARG 66 CO 0.01 -0.00 0.50 0.00 -1.07 0.00 0.00 179.97 179.41 2cpt h ALA 67 N 1.61 1.64 -0.44 0.04 0.00 -0.82 0.19 119.26 121.48 2cpt h ALA 67 Ca 0.29 0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.23 2cpt h ALA 67 Cb 0.45 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2cpt h ALA 67 CO -0.63 -0.33 -0.21 0.87 0.00 0.00 0.00 179.25 178.96 2cpt h LYS 68 N 0.48 0.91 -0.45 0.00 1.79 -0.80 -2.36 116.57 116.15 2cpt h LYS 68 Ca 0.61 -0.40 0.06 0.00 -2.18 0.00 0.00 60.65 58.74 2cpt h LYS 68 Cb 1.19 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.76 2cpt h LYS 68 CO -0.51 1.05 0.16 0.00 -1.08 0.00 0.00 179.45 179.07 2cpt h THR 70 N 0.33 1.25 0.59 0.00 2.02 -1.30 0.19 112.91 116.00 2cpt h THR 70 Ca 0.21 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 2cpt h THR 70 Cb 0.21 0.98 0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2cpt h THR 70 CO -0.22 0.32 -0.29 -0.08 0.37 0.00 0.00 175.52 175.63 2cpt h GLU 71 N 0.60 -0.77 -0.91 6.66 4.57 -0.90 -0.97 114.58 122.86 2cpt h GLU 71 Ca 0.13 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.38 2cpt h GLU 71 Cb 0.40 0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.12 2cpt h GLU 71 CO 0.01 -0.49 0.60 1.88 -1.18 0.00 0.00 179.01 179.83 2cpt h TYR 72 N -0.85 1.14 -0.49 0.92 0.05 -0.81 -1.42 116.97 115.51 2cpt h TYR 72 Ca -0.08 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.75 2cpt h TYR 72 Cb 0.63 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 2cpt h TYR 72 CO -0.02 0.71 0.29 -0.07 -1.05 0.00 0.00 178.16 178.02 2cpt h LEU 73 N 1.23 0.47 -0.17 3.88 3.38 -0.81 -1.39 115.31 121.89 2cpt h LEU 73 Ca 0.34 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2cpt h LEU 73 Cb -0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2cpt h LEU 73 CO -0.08 0.33 0.05 -0.78 0.09 0.00 0.00 178.44 178.05 2cpt h ASP 74 N 0.58 0.25 -0.18 -0.43 3.58 -0.74 -2.36 116.42 117.12 2cpt h ASP 74 Ca 0.20 -0.21 0.05 0.00 0.42 0.00 0.00 57.03 57.49 2cpt h ASP 74 Cb 0.03 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 2cpt h ASP 74 CO -0.09 0.40 -0.18 -0.09 -2.88 0.00 0.00 179.24 176.40 2cpt h ARG 75 N 0.10 -0.19 -0.17 0.28 9.65 -0.99 -2.47 114.38 120.58 2cpt h ARG 75 Ca 0.05 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.99 2cpt h ARG 75 Cb 0.24 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.82 2cpt h ARG 75 CO -0.00 -0.13 -0.12 0.00 2.80 0.00 0.00 179.97 182.52 2cpt h ALA 76 N 0.88 0.01 -0.99 2.80 0.00 -1.21 -1.73 119.26 119.01 2cpt h ALA 76 Ca 0.11 0.07 0.41 0.00 0.00 0.00 0.00 54.91 55.50 2cpt h ALA 76 Cb 0.37 0.27 -0.17 0.00 0.00 0.00 0.00 17.79 18.25 2cpt h ALA 76 CO -0.30 -0.56 0.54 0.39 0.00 0.00 0.00 179.25 179.33 2cpt n GLU 77 N -5.27 -0.06 0.22 0.00 -0.58 -0.90 -0.16 120.64 113.90 2cpt n GLU 77 Ca -0.02 1.32 -0.13 0.00 -0.42 0.00 0.00 57.16 57.91 2cpt n GLU 77 Cb 0.19 -2.39 -0.07 0.00 -0.57 0.00 0.00 31.44 28.60 2cpt n GLU 77 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2cpt h LYS 78 N 0.00 -0.58 -1.60 3.49 1.79 -1.24 -3.04 116.57 115.40 2cpt h LYS 78 Ca 0.82 0.04 0.47 0.00 -2.18 0.00 0.00 60.65 59.80 2cpt h LYS 78 Cb 2.21 0.13 -0.08 0.00 -1.58 0.00 0.00 32.23 32.91 2cpt h LYS 78 CO -0.72 -0.28 1.13 -0.07 -1.08 0.00 0.00 179.45 178.43 2cpt h LEU 79 N -1.00 0.06 -0.17 2.94 3.38 -0.42 0.75 115.31 120.85 2cpt h LEU 79 Ca -0.06 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2cpt h LEU 79 Cb 0.57 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2cpt h LEU 79 CO 0.10 -0.03 -0.10 0.11 0.09 0.00 0.00 178.44 178.61 2cpt h LYS 80 N 0.03 0.37 0.00 1.13 1.57 -1.28 0.11 116.57 118.50 2cpt h LYS 80 Ca 0.80 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 59.39 2cpt h LYS 80 Cb 3.05 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 35.35 2cpt h LYS 80 CO -0.10 0.69 -0.12 0.93 -0.57 0.00 0.00 179.45 180.28 2cpt h GLU 81 N 0.04 0.00 0.14 3.15 5.08 0.55 -1.17 114.58 122.38 2cpt h GLU 81 Ca 0.04 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.15 2cpt h GLU 81 Cb 0.59 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.85 2cpt h GLU 81 CO 0.03 0.12 -1.18 -0.92 -1.00 0.00 0.00 179.01 176.06 2cpt h TYR 82 N 0.00 0.53 -0.45 4.33 3.20 -1.21 -2.82 116.97 120.56 2cpt h TYR 82 Ca -0.00 -0.39 -0.02 0.00 3.14 0.00 0.00 58.73 61.46 2cpt h TYR 82 Cb 0.23 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2cpt h TYR 82 CO 0.00 1.46 0.20 -0.07 -1.64 0.00 0.00 178.16 178.11 2cpt h LEU 83 N -0.29 0.56 -0.22 2.82 3.38 -0.52 -2.06 115.31 118.98 2cpt h LEU 83 Ca -0.24 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.49 2cpt h LEU 83 Cb 1.75 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 2cpt h LEU 83 CO 0.12 0.49 -0.90 0.07 0.09 0.00 0.00 178.44 178.30 2cpt h LYS 84 N 0.63 0.04 -0.73 1.13 2.10 -1.33 -1.78 116.57 116.63 2cpt h LYS 84 Ca 0.16 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.73 2cpt h LYS 84 Cb 0.09 0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.40 2cpt h LYS 84 CO -0.02 0.91 0.36 -0.97 -2.00 0.00 0.00 179.45 177.74 2cpt h ASN 85 N 0.02 0.92 0.42 7.07 -1.24 -1.11 -2.94 115.58 118.72 2cpt h ASN 85 Ca -0.02 -0.09 -0.31 0.00 0.71 0.00 0.00 56.30 56.59 2cpt h ASN 85 Cb 1.58 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 40.38 2cpt h ASN 85 CO 0.12 0.77 -1.61 0.07 -1.29 0.00 0.00 177.43 175.49 2cpt h LYS 86 N 1.02 0.21 -6.68 6.67 2.10 -1.52 -3.48 116.57 114.90 2cpt h LYS 86 Ca 0.25 -0.35 -0.56 0.00 -2.00 0.00 0.00 60.65 57.99 2cpt h LYS 86 Cb 0.08 0.13 0.19 0.00 -0.90 0.00 0.00 32.23 31.73 2cpt h LYS 86 CO -0.04 1.03 -0.36 -1.91 -2.00 0.00 0.00 179.45 176.18 2cpt n GLU 87 N -3.39 0.31 -1.62 0.07 4.07 -0.67 -4.75 120.64 114.66 2cpt n GLU 87 Ca -0.18 0.15 -0.59 0.00 -0.06 0.00 0.00 57.16 56.47 2cpt n GLU 87 Cb 1.04 -1.86 -0.08 0.00 -0.06 0.00 0.00 31.44 30.49 2cpt n GLU 87 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2cpt n LYS 88 N -0.82 0.55 -1.25 5.31 0.00 -1.26 -4.74 118.16 115.95 2cpt n LYS 88 Ca 0.10 0.20 -0.44 0.00 0.00 0.00 0.00 58.31 58.17 2cpt n LYS 88 Cb 0.50 -1.78 -0.04 0.00 0.00 0.00 0.00 35.03 33.72 2cpt n LYS 88 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2cpt n LYS 89 N 3.13 0.00 -3.30 1.64 -0.00 -1.26 -4.88 118.16 113.48 2cpt n LYS 89 Ca 0.23 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.15 2cpt n LYS 89 Cb 0.09 -0.97 -0.07 0.00 -0.00 0.00 0.00 35.03 34.08 2cpt n LYS 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2cpt s ALA 90 N -0.70 3.56 0.60 0.58 0.00 -1.26 -5.05 121.76 119.50 2cpt s ALA 90 Ca 0.61 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.84 2cpt s ALA 90 Cb -0.88 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 2cpt s ALA 90 CO 0.49 -0.52 0.86 1.04 0.00 0.00 0.00 175.76 177.63 2cpt n GLN 91 N 5.00 0.79 -3.07 0.00 1.13 -1.26 -4.96 117.38 115.00 2cpt n GLN 91 Ca -0.06 0.31 -0.37 0.00 -1.94 0.00 0.00 57.00 54.94 2cpt n GLN 91 Cb 0.50 -2.06 -0.06 0.00 0.11 0.00 0.00 30.24 28.73 2cpt n GLN 91 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2cpt s LYS 92 N -2.62 4.30 0.34 -1.09 3.01 -1.26 -5.04 119.74 117.38 2cpt s LYS 92 Ca 0.75 0.92 -0.28 0.00 -1.01 0.00 0.00 55.97 56.35 2cpt s LYS 92 Cb -0.42 -2.92 -0.10 0.00 -1.01 0.00 0.00 37.83 33.38 2cpt s LYS 92 CO 0.48 0.41 1.22 -1.25 0.51 0.00 0.00 175.35 176.72 2cpt s PRO 93 N -1.88 4.34 -0.12 -1.68 0.04 -1.26 -5.04 135.00 129.40 2cpt s PRO 93 Ca 0.42 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.50 2cpt s PRO 93 Cb -0.17 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2cpt s PRO 93 CO 0.22 -0.13 -0.22 0.54 0.04 0.00 0.00 177.00 177.45 2cpt s VAL 94 N -1.22 2.15 -1.17 -0.36 0.11 -1.26 -4.68 120.40 113.97 2cpt s VAL 94 Ca 0.50 -0.97 -0.07 0.00 -2.93 0.00 0.00 61.98 58.51 2cpt s VAL 94 Cb -0.35 -1.84 0.01 0.00 -1.53 0.00 0.00 36.38 32.66 2cpt s VAL 94 CO 0.46 0.55 1.02 0.29 -3.33 0.00 0.00 175.10 174.09 2cpt n LYS 95 N 3.76 -6.87 -0.11 1.54 5.02 -1.26 -4.92 118.16 115.31 2cpt n LYS 95 Ca -0.19 0.72 -0.17 0.00 -2.02 0.00 0.00 58.31 56.65 2cpt n LYS 95 Cb 0.52 -5.45 -0.13 0.00 -0.02 0.00 0.00 35.03 29.96 2cpt n LYS 95 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2cpt n GLU 96 N -4.37 0.66 0.00 1.97 2.13 -1.26 -5.03 120.64 114.74 2cpt n GLU 96 Ca -0.01 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2cpt n GLU 96 Cb 0.56 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.73 2cpt n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2cpt n GLY 97 N 2.18 0.29 3.85 8.31 0.00 -1.26 -5.16 105.19 113.40 2cpt n GLY 97 Ca -0.43 0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2cpt n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cpt s GLN 98 N 0.00 3.91 0.40 1.61 -1.52 -1.26 -5.06 119.66 117.74 2cpt s GLN 98 Ca 0.00 0.39 -0.25 0.00 -1.95 0.00 0.00 55.36 53.55 2cpt s GLN 98 Cb 0.00 -3.01 -0.08 0.00 -0.22 0.00 0.00 33.01 29.69 2cpt s GLN 98 CO 0.00 0.55 1.19 -1.25 -0.25 0.00 0.00 175.29 175.53 2cpt s PRO 99 N -1.77 4.04 -0.06 2.91 0.04 -1.26 -5.05 135.00 133.86 2cpt s PRO 99 Ca 0.34 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 63.12 2cpt s PRO 99 Cb -0.15 -2.69 0.03 0.00 0.04 0.00 0.00 34.50 31.72 2cpt s PRO 99 CO 0.18 -0.34 0.35 -1.12 0.04 0.00 0.00 177.00 176.11 2cpt s SER 100 N -1.07 -0.28 1.21 6.66 0.01 -1.26 -5.17 113.70 113.79 2cpt s SER 100 Ca 0.57 0.35 -0.19 0.00 1.31 0.00 0.00 55.95 57.99 2cpt s SER 100 Cb -0.32 0.48 0.29 0.00 0.21 0.00 0.00 66.02 66.68 2cpt s SER 100 CO 0.40 -0.34 1.11 -2.16 0.41 0.00 0.00 173.24 172.66 2cpt s PRO 101 N -0.77 -1.25 0.88 12.44 0.04 -1.26 -5.06 135.00 140.03 2cpt s PRO 101 Ca -0.09 -0.07 -0.13 0.00 0.04 0.00 0.00 61.00 60.76 2cpt s PRO 101 Cb -0.04 -1.59 0.16 0.00 0.04 0.00 0.00 34.50 33.06 2cpt s PRO 101 CO 0.03 -3.73 1.23 0.00 0.04 0.00 0.00 177.00 174.57 2cpt s ALA 102 N -3.00 2.55 -0.47 8.56 0.00 -1.26 -4.89 121.76 123.24 2cpt s ALA 102 Ca 0.71 -1.12 -0.45 0.00 0.00 0.00 0.00 51.96 51.10 2cpt s ALA 102 Cb -0.10 -2.72 -0.19 0.00 0.00 0.00 0.00 23.12 20.11 2cpt s ALA 102 CO 0.56 -2.08 1.83 -0.40 0.00 0.00 0.00 175.76 175.67 2cpt n ASP 103 N -3.50 1.19 -3.19 0.00 5.75 -1.26 -4.76 116.55 110.78 2cpt n ASP 103 Ca 0.13 0.97 -0.29 0.00 -0.01 0.00 0.00 54.79 55.59 2cpt n ASP 103 Cb 0.60 -0.93 0.01 0.00 -1.03 0.00 0.00 41.12 39.78 2cpt n ASP 103 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2cpt n GLU 104 N 5.52 0.00 -0.92 0.11 0.28 -1.26 -4.80 120.64 119.58 2cpt n GLU 104 Ca 0.39 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 57.03 2cpt n GLU 104 Cb -0.02 -0.76 0.07 0.00 1.43 0.00 0.00 31.44 32.16 2cpt n GLU 104 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2cpt n LYS 105 N 1.27 -0.32 0.00 3.44 2.85 -1.26 -5.00 118.16 119.13 2cpt n LYS 105 Ca 0.05 -0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 2cpt n LYS 105 Cb 0.37 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 2cpt n LYS 105 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2cpt n GLY 106 N 2.98 -0.13 3.12 2.58 0.00 -1.26 -5.05 105.19 107.43 2cpt n GLY 106 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2cpt n GLY 106 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cpt n ASN 107 N -1.74 -4.61 -4.00 1.61 5.15 -1.26 -4.99 115.26 105.42 2cpt n ASN 107 Ca 0.00 0.20 -0.23 0.00 -0.60 0.00 0.00 54.58 53.94 2cpt n ASN 107 Cb 0.00 -0.87 -0.16 0.00 -0.53 0.00 0.00 39.78 38.22 2cpt n ASN 107 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2cpt s ASP 108 N -1.31 1.56 0.02 1.20 1.11 -1.26 -5.14 116.67 112.85 2cpt s ASP 108 Ca 0.45 -0.25 0.01 0.00 0.18 0.00 0.00 52.55 52.93 2cpt s ASP 108 Cb -0.16 -0.68 -0.02 0.00 1.07 0.00 0.00 42.92 43.13 2cpt s ASP 108 CO 0.77 0.03 -0.04 -0.55 1.18 0.00 0.00 175.17 176.56 2cpt s SER 109 N 0.62 0.40 0.28 0.27 0.15 -1.26 -5.13 113.70 109.02 2cpt s SER 109 Ca -0.12 -0.40 -0.30 0.00 0.70 0.00 0.00 55.95 55.83 2cpt s SER 109 Cb -0.14 0.05 -0.10 0.00 -1.71 0.00 0.00 66.02 64.12 2cpt s SER 109 CO 0.03 -0.20 1.44 1.51 1.20 0.00 0.00 173.24 177.22 2cpt s ASP 110 N -1.15 6.61 0.15 5.45 1.47 -1.26 -4.98 116.67 122.95 2cpt s ASP 110 Ca -0.10 2.75 -0.23 0.00 1.18 0.00 0.00 52.55 56.14 2cpt s ASP 110 Cb -0.08 -2.63 0.08 0.00 -0.34 0.00 0.00 42.92 39.95 2cpt s ASP 110 CO -0.00 -0.71 1.09 -0.83 0.68 0.00 0.00 175.17 175.39 2cpt s GLY 111 N 0.15 0.09 0.25 2.12 0.00 -1.26 -5.17 107.32 103.50 2cpt s GLY 111 Ca 0.57 -0.30 0.05 0.00 0.00 0.00 0.00 44.72 45.04 2cpt s GLY 111 CO 0.48 3.37 0.36 -1.35 0.00 0.00 0.00 173.10 175.95 2cpt s SER 112 N -3.54 6.22 -0.43 1.64 1.04 -1.26 -5.09 113.70 112.28 2cpt s SER 112 Ca 0.24 0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.74 2cpt s SER 112 Cb -0.02 -1.76 0.18 0.00 0.10 0.00 0.00 66.02 64.51 2cpt s SER 112 CO 0.04 -0.10 0.43 0.61 0.98 0.00 0.00 173.24 175.21 2cpt n GLY 113 N -1.41 1.61 3.60 7.32 0.00 -1.26 -5.10 105.19 109.95 2cpt n GLY 113 Ca -0.08 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 2cpt n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cpt s PRO 114 N 0.16 3.39 0.20 1.61 0.04 -1.26 -4.95 135.00 134.19 2cpt s PRO 114 Ca 0.33 1.30 -0.20 0.00 0.04 0.00 0.00 61.00 62.46 2cpt s PRO 114 Cb 0.04 -4.15 0.04 0.00 0.04 0.00 0.00 34.50 30.47 2cpt s PRO 114 CO -0.17 -1.79 0.60 -1.12 0.04 0.00 0.00 177.00 174.57 2cpt s SER 115 N 5.55 -0.37 -0.85 6.66 0.01 -1.26 -5.07 113.70 118.36 2cpt s SER 115 Ca 0.75 -0.34 -0.20 0.00 1.31 0.00 0.00 55.95 57.47 2cpt s SER 115 Cb -0.20 0.62 -0.21 0.00 0.21 0.00 0.00 66.02 66.44 2cpt s SER 115 CO 0.33 -1.10 2.36 -1.20 0.41 0.00 0.00 173.24 174.04 2cpt n SER 116 N -0.38 0.49 0.00 2.44 7.64 -1.26 -5.34 113.62 117.20 2cpt n SER 116 Ca -0.11 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 58.97 2cpt n SER 116 Cb 0.62 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2cpt n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64