#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpt n SER 2 N 0.00 -3.09 -4.63 1.61 2.88 -1.26 -4.88 113.62 104.26 2cpt n SER 2 Ca 0.00 0.12 -0.42 0.00 -1.33 0.00 0.00 58.87 57.24 2cpt n SER 2 Cb 0.00 -2.64 -0.04 0.00 -0.75 0.00 0.00 64.21 60.77 2cpt n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cpt s SER 3 N -2.20 6.76 0.47 -3.46 0.15 -1.26 -5.04 113.70 109.12 2cpt s SER 3 Ca 0.10 0.87 -0.09 0.00 0.70 0.00 0.00 55.95 57.53 2cpt s SER 3 Cb -0.06 -2.43 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2cpt s SER 3 CO 0.13 -0.58 0.83 -0.83 1.20 0.00 0.00 173.24 173.98 2cpt s GLY 4 N 1.48 1.75 -0.29 9.45 0.00 -1.26 -5.02 107.32 113.44 2cpt s GLY 4 Ca 0.34 -0.26 0.17 0.00 0.00 0.00 0.00 44.72 44.97 2cpt s GLY 4 CO 0.10 -0.07 1.10 1.44 0.00 0.00 0.00 173.10 175.67 2cpt n SER 5 N -1.87 2.50 -4.82 1.64 7.64 -1.26 -5.09 113.62 112.37 2cpt n SER 5 Ca 0.03 -2.66 -0.23 0.00 1.01 0.00 0.00 58.87 57.01 2cpt n SER 5 Cb 0.54 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 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 -3.61 5.55 0.00 6.43 1.04 -1.26 -5.05 113.70 116.81 2cpt s SER 6 Ca 0.34 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2cpt s SER 6 Cb 0.37 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 65.06 2cpt s SER 6 CO -0.02 0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2cpt n GLY 7 N -0.88 2.87 3.20 7.32 0.00 -1.26 -5.06 105.19 111.38 2cpt n GLY 7 Ca -0.08 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 2cpt n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2cpt s MET 8 N -3.09 3.28 -0.30 1.61 -2.45 -1.26 -5.03 119.30 112.05 2cpt s MET 8 Ca 0.00 -2.82 -0.35 0.00 -1.25 0.00 0.00 55.69 51.27 2cpt s MET 8 Cb 0.00 -4.10 -0.11 0.00 1.25 0.00 0.00 34.83 31.87 2cpt s MET 8 CO 0.00 -1.24 2.11 -1.13 1.05 0.00 0.00 175.02 175.81 2cpt n SER 9 N 3.18 2.39 -0.10 1.11 3.41 -1.26 -4.83 113.62 117.52 2cpt n SER 9 Ca 0.16 0.53 -0.23 0.00 -0.26 0.00 0.00 58.87 59.06 2cpt n SER 9 Cb 0.40 -1.28 -0.12 0.00 -0.26 0.00 0.00 64.21 62.95 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 9.16 1.94 -3.31 4.04 7.64 -1.26 -4.96 113.62 126.87 2cpt n SER 10 Ca 0.37 0.33 -0.43 0.00 1.01 0.00 0.00 58.87 60.14 2cpt n SER 10 Cb 0.24 -0.88 -0.06 0.00 -1.01 0.00 0.00 64.21 62.51 2cpt n SER 10 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2cpt n THR 11 N -4.14 0.03 -1.21 0.44 5.66 -1.26 -4.75 114.28 109.04 2cpt n THR 11 Ca -0.39 -0.01 -0.38 0.00 -3.05 0.00 0.00 64.05 60.23 2cpt n THR 11 Cb 0.82 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.63 2cpt n THR 11 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2cpt n SER 12 N 1.11 -3.45 -0.08 1.09 7.64 -1.26 -4.71 113.62 113.96 2cpt n SER 12 Ca 0.15 0.54 -0.13 0.00 1.01 0.00 0.00 58.87 60.44 2cpt n SER 12 Cb 0.06 -0.93 -0.05 0.00 -1.01 0.00 0.00 64.21 62.27 2cpt n SER 12 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2cpt h PRO 13 N -0.29 0.58 -0.84 1.43 0.13 -1.98 -2.39 132.00 128.65 2cpt h PRO 13 Ca -0.43 -0.31 0.09 0.00 -0.87 0.00 0.00 66.00 64.48 2cpt h PRO 13 Cb 1.39 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.46 2cpt h PRO 13 CO 0.38 0.90 0.49 -0.91 -0.23 0.00 0.00 178.00 178.64 2cpt h ASN 14 N 0.29 0.73 0.40 1.44 2.35 -1.97 -2.06 115.58 116.75 2cpt h ASN 14 Ca 0.04 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2cpt h ASN 14 Cb 0.79 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.06 2cpt h ASN 14 CO 0.06 0.43 -0.19 0.25 -1.65 0.00 0.00 177.43 176.32 2cpt h LEU 15 N 0.84 -0.46 -0.91 1.61 5.85 -1.85 -3.13 115.31 117.26 2cpt h LEU 15 Ca 0.40 0.02 0.30 0.00 0.84 0.00 0.00 57.88 59.43 2cpt h LEU 15 Cb 0.32 0.12 -0.17 0.00 0.37 0.00 0.00 40.66 41.30 2cpt h LEU 15 CO -0.23 -0.17 0.18 1.67 -0.34 0.00 0.00 178.44 179.55 2cpt n GLN 16 N -4.35 -0.07 -0.29 1.25 -0.06 -0.90 0.19 117.38 113.15 2cpt n GLN 16 Ca -0.07 1.33 -0.00 0.00 -2.00 0.00 0.00 57.00 56.26 2cpt n GLN 16 Cb 0.21 -2.20 0.12 0.00 -4.06 0.00 0.00 30.24 24.32 2cpt n GLN 16 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2cpt h LYS 17 N 0.00 0.90 -0.94 3.69 3.64 -1.40 -1.73 116.57 120.72 2cpt h LYS 17 Ca 0.63 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 60.03 2cpt h LYS 17 Cb 1.45 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 33.00 2cpt h LYS 17 CO -0.81 0.59 0.59 0.00 -2.27 0.00 0.00 179.45 177.56 2cpt h ALA 18 N 1.38 1.32 0.76 5.00 0.00 0.22 -1.24 119.26 126.71 2cpt h ALA 18 Ca 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2cpt h ALA 18 Cb 0.14 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2cpt h ALA 18 CO -0.16 0.33 -0.37 0.82 0.00 0.00 0.00 179.25 179.87 2cpt h ILE 19 N 1.05 0.00 -0.65 0.00 5.03 -1.06 -1.83 117.51 120.04 2cpt h ILE 19 Ca 0.42 -0.25 0.13 0.00 -0.12 0.00 0.00 64.86 65.04 2cpt h ILE 19 Cb 0.23 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 33.90 2cpt h ILE 19 CO -0.19 0.00 -0.11 -0.78 -0.68 0.00 0.00 178.15 176.39 2cpt h ASP 20 N -1.28 -0.51 0.60 1.72 3.58 -1.27 -0.25 116.42 119.00 2cpt h ASP 20 Ca -0.10 0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 2cpt h ASP 20 Cb 0.79 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2cpt h ASP 20 CO 0.17 -0.19 -0.50 -0.07 -2.88 0.00 0.00 179.24 175.77 2cpt h LEU 21 N 0.03 -1.32 -0.80 2.28 3.38 -1.24 -1.18 115.31 116.47 2cpt h LEU 21 Ca 0.32 0.10 0.19 0.00 0.09 0.00 0.00 57.88 58.58 2cpt h LEU 21 Cb 0.51 0.42 -0.12 0.00 0.09 0.00 0.00 40.66 41.56 2cpt h LEU 21 CO -0.64 -0.69 0.21 0.00 0.09 0.00 0.00 178.44 177.41 2cpt h ALA 22 N -0.93 1.08 -0.29 1.53 0.00 -0.61 0.02 119.26 120.06 2cpt h ALA 22 Ca -0.08 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2cpt h ALA 22 Cb 0.90 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2cpt h ALA 22 CO -0.01 -0.37 0.15 1.03 0.00 0.00 0.00 179.25 180.05 2cpt h SER 23 N 0.26 0.22 -0.49 0.00 0.87 -0.68 -2.66 113.55 111.06 2cpt h SER 23 Ca 0.47 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 61.12 2cpt h SER 23 Cb 0.85 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.71 2cpt h SER 23 CO -0.56 0.17 0.10 0.50 -0.53 0.00 0.00 176.83 176.50 2cpt h LYS 24 N 0.31 0.23 -0.67 2.24 3.64 0.24 -2.69 116.57 119.87 2cpt h LYS 24 Ca 0.12 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 2cpt h LYS 24 Cb 0.03 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.71 2cpt h LYS 24 CO -0.08 0.15 -0.53 0.00 -2.27 0.00 0.00 179.45 176.72 2cpt h ALA 25 N 1.38 -0.62 -0.36 5.00 0.00 -1.02 -1.31 119.26 122.33 2cpt h ALA 25 Ca 0.25 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.27 2cpt h ALA 25 Cb 0.33 1.23 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 2cpt h ALA 25 CO -0.32 -0.95 -0.46 0.00 0.00 0.00 0.00 179.25 177.52 2cpt h ALA 26 N 0.14 -0.55 -0.99 0.00 0.00 -1.47 -0.77 119.26 115.62 2cpt h ALA 26 Ca 0.11 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.26 2cpt h ALA 26 Cb 0.46 0.94 -0.19 0.00 0.00 0.00 0.00 17.79 19.00 2cpt h ALA 26 CO -0.72 -0.92 -0.21 1.04 0.00 0.00 0.00 179.25 178.44 2cpt n GLN 27 N -5.41 -0.09 0.19 0.00 1.13 -0.54 -0.18 117.38 112.48 2cpt n GLN 27 Ca -0.02 1.53 -0.15 0.00 -1.94 0.00 0.00 57.00 56.42 2cpt n GLN 27 Cb 0.35 -2.31 -0.08 0.00 0.11 0.00 0.00 30.24 28.32 2cpt n GLN 27 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2cpt h GLU 28 N 0.00 -0.41 -0.35 -1.09 4.39 -0.66 -1.73 114.58 114.74 2cpt h GLU 28 Ca 0.49 0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.27 2cpt h GLU 28 Cb 0.80 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.46 2cpt h GLU 28 CO -1.00 -0.26 -0.54 0.22 -1.16 0.00 0.00 179.01 176.27 2cpt h ASP 29 N -0.44 -1.79 -0.59 1.42 3.58 0.16 0.42 116.42 119.18 2cpt h ASP 29 Ca -0.04 0.23 0.10 0.00 0.42 0.00 0.00 57.03 57.75 2cpt h ASP 29 Cb 0.34 0.73 -0.08 0.00 1.72 0.00 0.00 39.33 42.04 2cpt h ASP 29 CO 0.07 -0.42 0.15 0.50 -2.88 0.00 0.00 179.24 176.66 2cpt h LYS 30 N -0.43 0.28 -0.89 0.28 3.11 -1.20 -0.68 116.57 117.04 2cpt h LYS 30 Ca 0.07 -0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.90 2cpt h LYS 30 Cb 0.61 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.74 2cpt h LYS 30 CO -0.56 0.19 0.58 0.00 -2.81 0.00 0.00 179.45 176.85 2cpt h ALA 31 N 1.45 1.35 0.00 5.00 0.00 -0.22 -3.46 119.26 123.38 2cpt h ALA 31 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2cpt h ALA 31 Cb 0.43 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2cpt h ALA 31 CO -0.37 0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2cpt n GLY 32 N -1.37 1.23 3.21 0.00 0.00 0.12 -5.09 105.19 103.29 2cpt n GLY 32 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.23 5.26 -0.19 1.61 0.01 0.54 -4.94 114.94 116.01 2cpt s ASN 33 Ca 0.00 -1.45 -0.10 0.00 -0.71 0.00 0.00 52.86 50.60 2cpt s ASN 33 Cb 0.00 -1.85 -0.21 0.00 0.41 0.00 0.00 41.25 39.61 2cpt s ASN 33 CO 0.00 -0.40 0.13 -1.22 -1.51 0.00 0.00 177.10 174.09 2cpt n TYR 34 N 4.74 0.81 -0.26 2.20 4.02 -1.26 -2.96 117.16 124.45 2cpt n TYR 34 Ca -0.10 0.23 -0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2cpt n TYR 34 Cb 0.43 -1.10 0.12 0.00 -0.02 0.00 0.00 39.34 38.78 2cpt n TYR 34 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 2cpt h GLU 35 N -0.36 0.74 -0.09 -0.72 4.11 -1.92 0.25 114.58 116.60 2cpt h GLU 35 Ca -0.47 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 58.79 2cpt h GLU 35 Cb 1.77 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.86 2cpt h GLU 35 CO -0.09 0.49 -0.45 1.49 0.07 0.00 0.00 179.01 180.52 2cpt h GLU 36 N 0.76 0.46 -0.97 1.06 4.57 -1.99 -3.19 114.58 115.29 2cpt h GLU 36 Ca 0.34 -0.38 0.08 0.00 -1.18 0.00 0.00 59.36 58.22 2cpt h GLU 36 Cb 0.22 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.82 2cpt h GLU 36 CO -0.20 1.01 0.62 0.00 -1.18 0.00 0.00 179.01 179.26 2cpt h ALA 37 N 0.45 1.37 0.67 2.92 0.00 -1.41 -2.23 119.26 121.03 2cpt h ALA 37 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2cpt h ALA 37 Cb 1.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2cpt h ALA 37 CO 0.09 0.35 -0.48 1.25 0.00 0.00 0.00 179.25 180.46 2cpt h LEU 38 N 1.08 -1.25 -0.35 0.00 5.85 -0.98 0.12 115.31 119.79 2cpt h LEU 38 Ca 0.43 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.31 2cpt h LEU 38 Cb 0.25 0.38 -0.08 0.00 0.37 0.00 0.00 40.66 41.57 2cpt h LEU 38 CO -0.20 -0.70 -0.27 1.56 -0.34 0.00 0.00 178.44 178.50 2cpt h GLN 39 N -1.10 -0.21 -0.60 1.25 1.08 -1.49 -0.86 115.11 113.18 2cpt h GLN 39 Ca -0.09 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.19 2cpt h GLN 39 Cb 0.91 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 28.33 2cpt h GLN 39 CO 0.04 -0.14 0.29 -0.07 -0.95 0.00 0.00 178.83 178.01 2cpt h LEU 40 N -0.22 0.40 -0.75 1.46 3.38 -1.27 -1.58 115.31 116.72 2cpt h LEU 40 Ca 0.17 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.27 2cpt h LEU 40 Cb 0.49 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2cpt h LEU 40 CO -0.48 0.25 0.41 1.88 0.09 0.00 0.00 178.44 180.59 2cpt h TYR 41 N 0.54 0.74 -0.17 1.13 0.05 0.55 -0.93 116.97 118.88 2cpt h TYR 41 Ca 0.28 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.08 2cpt h TYR 41 Cb 0.24 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2cpt h TYR 41 CO -0.11 0.31 0.06 1.96 -1.05 0.00 0.00 178.16 179.32 2cpt h GLN 42 N 0.70 0.26 0.07 4.88 4.20 -0.38 -3.06 115.11 121.78 2cpt h GLN 42 Ca 0.35 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 59.03 2cpt h GLN 42 Cb 0.31 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2cpt h GLN 42 CO -0.24 0.36 -0.22 0.45 -0.67 0.00 0.00 178.83 178.52 2cpt h HIS 43 N 0.11 -0.57 -0.78 2.96 3.86 -0.73 -1.27 115.15 118.72 2cpt h HIS 43 Ca 0.06 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.36 2cpt h HIS 43 Cb 0.20 0.24 -0.11 0.00 1.06 0.00 0.00 27.41 28.81 2cpt h HIS 43 CO -0.01 -0.31 -0.54 0.00 0.86 0.00 0.00 177.93 177.93 2cpt h ALA 44 N 0.44 -0.53 -0.36 2.45 0.00 -1.15 0.49 119.26 120.60 2cpt h ALA 44 Ca 0.04 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2cpt h ALA 44 Cb 0.42 1.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2cpt h ALA 44 CO -0.15 -0.95 0.15 0.28 0.00 0.00 0.00 179.25 178.58 2cpt h VAL 45 N -0.14 0.93 -0.57 0.00 2.07 -1.41 -1.07 116.25 116.06 2cpt h VAL 45 Ca 0.15 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.68 2cpt h VAL 45 Cb 0.50 0.59 -0.11 0.00 -1.52 0.00 0.00 31.29 30.75 2cpt h VAL 45 CO -0.82 0.06 -0.23 1.56 0.02 0.00 0.00 177.57 178.16 2cpt h GLN 46 N 0.31 -0.09 -0.15 1.57 1.08 0.25 0.17 115.11 118.25 2cpt h GLN 46 Ca 0.16 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 2cpt h GLN 46 Cb 0.11 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2cpt h GLN 46 CO -0.14 -0.06 0.03 1.88 -0.95 0.00 0.00 178.83 179.59 2cpt h TYR 47 N -0.09 0.27 -0.41 2.96 0.05 -0.81 -2.44 116.97 116.49 2cpt h TYR 47 Ca 0.26 -0.04 0.08 0.00 0.05 0.00 0.00 58.73 59.09 2cpt h TYR 47 Cb 0.50 -0.07 -0.08 0.00 1.01 0.00 0.00 36.73 38.08 2cpt h TYR 47 CO -0.55 0.42 -0.11 0.74 -1.05 0.00 0.00 178.16 177.61 2cpt h PHE 48 N 0.04 -0.24 0.75 4.88 0.04 -0.09 -2.47 116.94 119.84 2cpt h PHE 48 Ca 0.05 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 2cpt h PHE 48 Cb 0.29 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 2cpt h PHE 48 CO 0.02 -0.19 -0.49 -0.07 -0.60 0.00 0.00 178.31 176.98 2cpt h LEU 49 N -0.01 -1.26 -0.88 1.54 3.38 -0.66 -2.41 115.31 115.01 2cpt h LEU 49 Ca 0.20 0.07 0.27 0.00 0.09 0.00 0.00 57.88 58.51 2cpt h LEU 49 Cb 0.31 0.37 -0.16 0.00 0.09 0.00 0.00 40.66 41.27 2cpt h LEU 49 CO -0.43 -0.74 0.11 1.57 0.09 0.00 0.00 178.44 179.04 2cpt n HIS 50 N -5.55 0.66 0.41 1.13 -0.00 -0.93 -0.50 115.22 110.44 2cpt n HIS 50 Ca -0.14 1.06 -0.16 0.00 0.46 0.00 0.00 57.72 58.93 2cpt n HIS 50 Cb 0.49 -1.22 -0.08 0.00 -0.12 0.00 0.00 29.99 29.07 2cpt n HIS 50 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2cpt h VAL 51 N 0.00 0.00 -0.14 3.57 2.07 -1.08 -1.76 116.25 118.90 2cpt h VAL 51 Ca 0.58 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 68.05 2cpt h VAL 51 Cb 1.28 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2cpt h VAL 51 CO -0.80 0.00 0.43 0.58 0.02 0.00 0.00 177.57 177.80 2cpt h VAL 52 N -1.15 0.11 0.09 2.57 2.07 -0.31 1.36 116.25 121.00 2cpt h VAL 52 Ca -0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2cpt h VAL 52 Cb 0.81 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2cpt h VAL 52 CO 0.18 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 178.22 2cpt h LYS 53 N 0.00 -0.12 0.00 1.57 3.64 -0.45 -3.36 116.57 117.84 2cpt h LYS 53 Ca 0.07 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.30 2cpt h LYS 53 Cb 0.92 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 2cpt h LYS 53 CO -0.00 0.28 -1.38 0.66 -2.27 0.00 0.00 179.45 176.73 2cpt n TYR 54 N -4.82 0.00 -0.67 1.91 4.01 -0.55 -4.59 117.16 112.45 2cpt n TYR 54 Ca -0.06 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.64 2cpt n TYR 54 Cb 0.22 -0.53 -0.05 0.00 -0.31 0.00 0.00 39.34 38.68 2cpt n TYR 54 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2cpt n GLU 55 N -4.05 1.32 -1.91 -0.72 -0.58 0.45 -4.90 120.64 110.25 2cpt n GLU 55 Ca -0.24 -0.36 -0.43 0.00 -0.42 0.00 0.00 57.16 55.71 2cpt n GLU 55 Cb 0.57 -1.32 -0.03 0.00 -0.57 0.00 0.00 31.44 30.09 2cpt n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cpt s ALA 56 N 0.20 3.16 -0.05 0.62 0.00 -0.13 -4.36 121.76 121.21 2cpt s ALA 56 Ca 0.21 0.67 -0.22 0.00 0.00 0.00 0.00 51.96 52.62 2cpt s ALA 56 Cb 0.10 -3.92 -0.17 0.00 0.00 0.00 0.00 23.12 19.14 2cpt s ALA 56 CO -0.00 -2.14 0.92 1.96 0.00 0.00 0.00 175.76 176.50 2cpt h GLN 57 N 11.91 -0.16 0.00 0.00 4.20 -1.90 -3.50 115.11 125.66 2cpt h GLN 57 Ca -0.38 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2cpt h GLN 57 Cb 1.19 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2cpt h GLN 57 CO 0.98 0.31 0.00 0.41 -0.67 0.00 0.00 178.83 179.86 2cpt n GLY 58 N 0.61 2.42 0.28 3.46 0.00 -1.26 -4.96 105.19 105.74 2cpt n GLY 58 Ca -0.08 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 2cpt n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cpt n ASP 59 N 0.00 -0.71 -0.34 1.61 9.92 -1.26 0.14 116.55 125.91 2cpt n ASP 59 Ca 0.00 1.25 0.13 0.00 -0.53 0.00 0.00 54.79 55.64 2cpt n ASP 59 Cb 0.00 -0.18 0.27 0.00 -0.64 0.00 0.00 41.12 40.57 2cpt n ASP 59 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2cpt h LYS 60 N 0.00 0.02 0.20 -1.24 3.64 -1.99 0.58 116.57 117.77 2cpt h LYS 60 Ca 0.11 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2cpt h LYS 60 Cb 0.27 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2cpt h LYS 60 CO -0.63 0.01 -0.10 0.00 -2.27 0.00 0.00 179.45 176.47 2cpt h ALA 61 N 1.96 -0.27 -0.91 5.00 0.00 0.77 -3.01 119.26 122.81 2cpt h ALA 61 Ca 0.58 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.53 2cpt h ALA 61 Cb 1.17 0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 2cpt h ALA 61 CO -0.90 -0.27 -0.28 1.63 0.00 0.00 0.00 179.25 179.43 2cpt n LYS 62 N -4.95 -0.14 0.04 0.00 5.02 0.11 0.23 118.16 118.47 2cpt n LYS 62 Ca -0.05 1.41 0.02 0.00 -2.02 0.00 0.00 58.31 57.67 2cpt n LYS 62 Cb 0.17 -2.10 0.36 0.00 -0.02 0.00 0.00 35.03 33.43 2cpt n LYS 62 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2cpt h GLN 63 N 0.00 0.44 0.04 1.97 3.07 -1.04 0.25 115.11 119.84 2cpt h GLN 63 Ca 0.39 -0.08 -0.00 0.00 0.09 0.00 0.00 58.65 59.05 2cpt h GLN 63 Cb 0.61 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.10 2cpt h GLN 63 CO -0.92 0.45 -0.02 0.77 0.09 0.00 0.00 178.83 179.21 2cpt h SER 64 N 0.43 -0.04 -0.29 0.06 0.02 0.31 -2.70 113.55 111.34 2cpt h SER 64 Ca 0.10 -0.46 -0.06 0.00 -0.84 0.00 0.00 61.79 60.53 2cpt h SER 64 Cb 0.25 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2cpt h SER 64 CO 0.00 0.45 -0.06 0.40 -1.14 0.00 0.00 176.83 176.48 2cpt h ILE 65 N -0.54 1.28 -0.25 3.27 2.04 -0.32 -3.20 117.51 119.78 2cpt h ILE 65 Ca -0.00 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 64.84 2cpt h ILE 65 Cb 0.50 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 2cpt h ILE 65 CO 0.01 0.34 -0.25 0.03 0.00 0.00 0.00 178.15 178.28 2cpt h ARG 66 N 0.33 -0.24 -0.83 2.37 3.08 -0.58 -1.15 114.38 117.36 2cpt h ARG 66 Ca 0.08 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.35 2cpt h ARG 66 Cb 0.53 0.05 -0.14 0.00 0.08 0.00 0.00 29.97 30.50 2cpt h ARG 66 CO 0.03 -0.16 0.12 0.00 -1.07 0.00 0.00 179.97 178.89 2cpt h ALA 67 N 0.79 1.04 -0.49 0.04 0.00 -1.48 0.18 119.26 119.34 2cpt h ALA 67 Ca 0.14 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2cpt h ALA 67 Cb 0.47 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2cpt h ALA 67 CO -0.39 -0.44 0.19 0.87 0.00 0.00 0.00 179.25 179.47 2cpt h LYS 68 N 0.16 0.75 -0.72 0.00 6.56 -1.26 -2.30 116.57 119.76 2cpt h LYS 68 Ca 0.49 -0.14 0.13 0.00 -1.06 0.00 0.00 60.65 60.06 2cpt h LYS 68 Cb 0.92 -0.12 -0.09 0.00 -0.57 0.00 0.00 32.23 32.38 2cpt h LYS 68 CO -0.67 0.68 0.28 0.00 -2.06 0.00 0.00 179.45 177.68 2cpt h THR 70 N 0.44 1.27 0.47 0.00 2.02 -1.15 0.93 112.91 116.89 2cpt h THR 70 Ca 0.38 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 2cpt h THR 70 Cb 0.55 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2cpt h THR 70 CO -0.38 0.39 -0.23 -0.08 0.37 0.00 0.00 175.52 175.60 2cpt h GLU 71 N 0.69 -0.61 -0.65 6.66 4.57 -0.66 0.05 114.58 124.63 2cpt h GLU 71 Ca 0.12 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 2cpt h GLU 71 Cb 0.57 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 2cpt h GLU 71 CO 0.03 -0.33 0.34 1.88 -1.18 0.00 0.00 179.01 179.75 2cpt h TYR 72 N -0.78 0.92 0.19 0.92 0.05 -0.67 0.37 116.97 117.95 2cpt h TYR 72 Ca -0.06 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2cpt h TYR 72 Cb 0.55 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 2cpt h TYR 72 CO -0.01 0.67 -0.11 -0.07 -1.05 0.00 0.00 178.16 177.59 2cpt h LEU 73 N 0.90 -0.27 -0.21 3.88 3.38 -0.76 -1.98 115.31 120.24 2cpt h LEU 73 Ca 0.23 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2cpt h LEU 73 Cb 0.07 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2cpt h LEU 73 CO -0.03 -0.18 0.11 -0.78 0.09 0.00 0.00 178.44 177.65 2cpt h ASP 74 N -0.29 0.27 -0.70 -0.43 3.58 -0.84 -2.64 116.42 115.37 2cpt h ASP 74 Ca -0.02 -0.10 0.15 0.00 0.42 0.00 0.00 57.03 57.48 2cpt h ASP 74 Cb 0.24 -0.07 -0.11 0.00 1.72 0.00 0.00 39.33 41.11 2cpt h ASP 74 CO 0.02 0.29 0.13 -0.09 -2.88 0.00 0.00 179.24 176.72 2cpt h ARG 75 N 0.23 0.23 -0.31 0.28 9.65 -0.79 -0.80 114.38 122.87 2cpt h ARG 75 Ca 0.07 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2cpt h ARG 75 Cb 0.09 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 2cpt h ARG 75 CO -0.01 0.15 0.20 0.00 2.80 0.00 0.00 179.97 183.11 2cpt h ALA 76 N 1.59 0.40 -0.84 2.80 0.00 -1.13 -2.94 119.26 119.14 2cpt h ALA 76 Ca 0.39 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.42 2cpt h ALA 76 Cb 0.65 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.16 2cpt h ALA 76 CO -0.51 -0.13 -0.27 0.39 0.00 0.00 0.00 179.25 178.74 2cpt n GLU 77 N -4.86 -0.14 0.37 0.00 -0.58 -0.31 -0.36 120.64 114.77 2cpt n GLU 77 Ca -0.01 1.31 -0.17 0.00 -0.42 0.00 0.00 57.16 57.86 2cpt n GLU 77 Cb 0.03 -1.95 -0.09 0.00 -0.57 0.00 0.00 31.44 28.87 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 -0.89 -1.66 3.49 1.79 -1.50 -2.46 116.57 115.34 2cpt h LYS 78 Ca 0.35 0.06 0.48 0.00 -2.18 0.00 0.00 60.65 59.36 2cpt h LYS 78 Cb 0.56 0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 31.35 2cpt h LYS 78 CO -0.85 -0.58 1.32 1.28 -1.08 0.00 0.00 179.45 179.54 2cpt n LEU 79 N -5.46 0.00 -0.05 2.94 4.77 0.52 0.82 117.00 120.53 2cpt n LEU 79 Ca -0.13 0.89 -0.11 0.00 -0.03 0.00 0.00 56.01 56.63 2cpt n LEU 79 Cb 0.38 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 2cpt n LEU 79 CO 0.37 -0.89 0.32 0.11 -1.33 0.00 0.00 177.39 175.96 2cpt h LYS 80 N 0.00 -0.02 0.00 3.23 1.57 -0.91 -2.16 116.57 118.28 2cpt h LYS 80 Ca 0.79 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.55 2cpt h LYS 80 Cb 3.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 35.74 2cpt h LYS 80 CO -0.01 0.71 -0.09 1.05 -0.57 0.00 0.00 179.45 180.54 2cpt h GLU 81 N -0.97 0.00 0.01 3.15 4.11 0.69 0.70 114.58 122.27 2cpt h GLU 81 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2cpt h GLU 81 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2cpt h GLU 81 CO 0.00 0.09 -0.00 -0.92 0.07 0.00 0.00 179.01 178.25 2cpt h TYR 82 N 0.00 -0.01 -0.75 2.06 3.20 -0.63 -3.29 116.97 117.56 2cpt h TYR 82 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2cpt h TYR 82 Cb 0.20 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 2cpt h TYR 82 CO 0.00 0.81 0.26 -0.07 -1.64 0.00 0.00 178.16 177.52 2cpt h LEU 83 N -0.94 1.06 -0.08 2.82 3.38 -1.20 -3.11 115.31 117.24 2cpt h LEU 83 Ca -0.00 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2cpt h LEU 83 Cb 0.83 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2cpt h LEU 83 CO 0.00 0.97 -0.20 0.11 0.09 0.00 0.00 178.44 179.41 2cpt h LYS 84 N 1.10 -0.18 -0.48 1.13 1.57 -0.98 -0.50 116.57 118.23 2cpt h LYS 84 Ca 0.24 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 2cpt h LYS 84 Cb 0.27 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.54 2cpt h LYS 84 CO -0.01 -0.12 -0.56 -0.97 -0.57 0.00 0.00 179.45 177.22 2cpt h ASN 85 N -0.19 -1.90 -0.58 0.86 -0.73 -1.62 -2.15 115.58 109.27 2cpt h ASN 85 Ca 0.02 0.25 0.06 0.00 1.87 0.00 0.00 56.30 58.50 2cpt h ASN 85 Cb 0.23 0.79 -0.08 0.00 0.27 0.00 0.00 38.32 39.53 2cpt h ASN 85 CO -0.18 -0.38 -0.46 0.50 -0.37 0.00 0.00 177.43 176.54 2cpt h LYS 86 N -0.35 -0.14 -6.49 6.67 3.64 -1.41 -3.40 116.57 115.09 2cpt h LYS 86 Ca 0.08 0.01 -0.58 0.00 -1.27 0.00 0.00 60.65 58.90 2cpt h LYS 86 Cb 0.58 0.03 0.18 0.00 -0.41 0.00 0.00 32.23 32.61 2cpt h LYS 86 CO -0.64 -0.09 -0.52 0.39 -2.27 0.00 0.00 179.45 176.32 2cpt n GLU 87 N -4.80 0.37 -1.51 1.90 1.02 -0.23 -4.67 120.64 112.73 2cpt n GLU 87 Ca -0.00 0.15 -0.42 0.00 -0.02 0.00 0.00 57.16 56.87 2cpt n GLU 87 Cb 0.23 -1.65 -0.07 0.00 -0.02 0.00 0.00 31.44 29.93 2cpt n GLU 87 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2cpt n LYS 88 N -0.03 0.79 -1.20 3.49 4.81 -1.26 -4.86 118.16 119.90 2cpt n LYS 88 Ca 0.10 0.10 -0.37 0.00 -0.87 0.00 0.00 58.31 57.27 2cpt n LYS 88 Cb 0.49 -2.62 0.04 0.00 0.02 0.00 0.00 35.03 32.96 2cpt n LYS 88 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2cpt n LYS 89 N 8.63 0.12 -4.17 1.64 0.00 -1.26 -5.01 118.16 118.11 2cpt n LYS 89 Ca 0.46 0.06 -0.13 0.00 -0.00 0.00 0.00 58.31 58.70 2cpt n LYS 89 Cb 0.31 -1.34 -0.09 0.00 -0.00 0.00 0.00 35.03 33.91 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 -1.97 1.00 -0.75 0.58 0.00 -1.26 -5.09 121.76 114.28 2cpt s ALA 90 Ca 0.57 -1.60 -0.26 0.00 0.00 0.00 0.00 51.96 50.67 2cpt s ALA 90 Cb -0.37 1.33 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 2cpt s ALA 90 CO 0.67 -0.66 1.82 -1.14 0.00 0.00 0.00 175.76 176.44 2cpt s GLN 91 N -3.96 2.70 -0.00 0.00 2.00 -1.26 -4.93 119.66 114.21 2cpt s GLN 91 Ca 0.36 0.12 -0.02 0.00 -2.00 0.00 0.00 55.36 53.83 2cpt s GLN 91 Cb 0.05 -4.66 -0.00 0.00 0.80 0.00 0.00 33.01 29.19 2cpt s GLN 91 CO 0.14 -2.88 0.03 -1.59 -0.50 0.00 0.00 175.29 170.49 2cpt s LYS 92 N 6.80 0.17 -0.00 1.67 0.00 -1.26 -5.13 119.74 121.99 2cpt s LYS 92 Ca 0.64 -0.18 -0.30 0.00 0.00 0.00 0.00 55.97 56.13 2cpt s LYS 92 Cb -0.09 0.07 -0.06 0.00 0.00 0.00 0.00 37.83 37.75 2cpt s LYS 92 CO 0.11 -0.03 1.45 -1.25 0.00 0.00 0.00 175.35 175.63 2cpt s PRO 93 N -0.55 4.26 -0.96 1.78 0.04 -1.26 -4.93 135.00 133.37 2cpt s PRO 93 Ca -0.06 2.02 -0.24 0.00 0.04 0.00 0.00 61.00 62.76 2cpt s PRO 93 Cb -0.04 -3.62 -0.01 0.00 0.04 0.00 0.00 34.50 30.86 2cpt s PRO 93 CO -0.00 -0.63 1.78 0.08 0.04 0.00 0.00 177.00 178.27 2cpt s VAL 94 N 2.64 3.62 -0.02 -0.36 1.01 -1.26 -4.95 120.40 121.08 2cpt s VAL 94 Ca 0.66 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 2cpt s VAL 94 Cb -0.32 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 2cpt s VAL 94 CO 0.27 -1.30 0.86 -0.54 0.00 0.00 0.00 175.10 174.40 2cpt s LYS 95 N 6.26 4.52 0.18 2.72 1.02 -1.26 -4.91 119.74 128.26 2cpt s LYS 95 Ca 0.62 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.81 2cpt s LYS 95 Cb -0.04 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2cpt s LYS 95 CO -0.03 0.02 0.00 -1.91 -0.92 0.00 0.00 175.35 172.51 2cpt n GLU 96 N 3.77 0.00 -3.08 1.68 0.00 -1.26 -5.10 120.64 116.65 2cpt n GLU 96 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2cpt n GLU 96 Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 31.44 31.77 2cpt n GLU 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cpt n GLY 97 N 2.37 0.00 3.24 8.31 0.00 -1.26 -5.01 105.19 112.85 2cpt n GLY 97 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2cpt n GLY 97 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cpt s GLN 98 N -0.86 0.41 -0.98 1.61 2.00 -1.26 -5.09 119.66 115.49 2cpt s GLN 98 Ca 0.00 0.53 -0.24 0.00 -2.00 0.00 0.00 55.36 53.65 2cpt s GLN 98 Cb 0.00 0.17 -0.06 0.00 0.80 0.00 0.00 33.01 33.92 2cpt s GLN 98 CO 0.00 -0.06 1.94 -1.25 -0.50 0.00 0.00 175.29 175.42 2cpt s PRO 99 N 0.34 2.54 -0.03 1.67 0.04 -1.26 -4.87 135.00 133.43 2cpt s PRO 99 Ca -0.01 -0.53 -0.28 0.00 0.04 0.00 0.00 61.00 60.22 2cpt s PRO 99 Cb -0.03 -5.11 0.06 0.00 0.04 0.00 0.00 34.50 29.46 2cpt s PRO 99 CO -0.01 -3.53 0.62 -1.12 0.04 0.00 0.00 177.00 173.00 2cpt s SER 100 N 7.61 -0.58 0.94 6.66 0.01 -1.26 -5.17 113.70 121.90 2cpt s SER 100 Ca 0.70 0.58 -0.12 0.00 1.31 0.00 0.00 55.95 58.42 2cpt s SER 100 Cb -0.05 0.51 0.16 0.00 0.21 0.00 0.00 66.02 66.84 2cpt s SER 100 CO 0.03 -0.61 1.09 -2.16 0.41 0.00 0.00 173.24 172.01 2cpt s PRO 101 N -1.36 0.88 0.99 12.44 0.04 -1.26 -5.02 135.00 141.72 2cpt s PRO 101 Ca -0.11 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 61.50 2cpt s PRO 101 Cb -0.01 -1.78 0.19 0.00 0.04 0.00 0.00 34.50 32.94 2cpt s PRO 101 CO 0.08 -2.47 1.09 0.00 0.04 0.00 0.00 177.00 175.74 2cpt s ALA 102 N -2.95 0.83 -0.31 8.56 0.00 -1.26 -5.01 121.76 121.61 2cpt s ALA 102 Ca 0.64 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2cpt s ALA 102 Cb -0.18 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.71 2cpt s ALA 102 CO 0.57 -3.00 0.01 -0.51 0.00 0.00 0.00 175.76 172.83 2cpt s ASP 103 N -2.86 4.81 0.17 0.00 1.01 -1.26 -4.94 116.67 113.60 2cpt s ASP 103 Ca 0.66 -1.53 0.21 0.00 0.71 0.00 0.00 52.55 52.61 2cpt s ASP 103 Cb -0.22 -1.68 -0.03 0.00 1.01 0.00 0.00 42.92 42.00 2cpt s ASP 103 CO 0.60 -0.30 0.99 1.21 0.21 0.00 0.00 175.17 177.88 2cpt n GLU 104 N 4.52 0.61 -4.15 8.23 2.13 -1.26 -4.96 120.64 125.75 2cpt n GLU 104 Ca -0.10 0.13 -0.33 0.00 0.66 0.00 0.00 57.16 57.53 2cpt n GLU 104 Cb 0.43 -1.82 -0.03 0.00 0.27 0.00 0.00 31.44 30.29 2cpt n GLU 104 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2cpt n LYS 105 N -2.71 -3.19 -3.44 5.31 4.81 -1.26 -4.90 118.16 112.78 2cpt n LYS 105 Ca -0.02 0.38 -0.27 0.00 -0.87 0.00 0.00 58.31 57.53 2cpt n LYS 105 Cb 0.61 -4.91 -0.08 0.00 0.02 0.00 0.00 35.03 30.66 2cpt n LYS 105 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cpt n GLY 106 N -1.60 4.28 3.85 3.14 0.00 -1.26 -5.09 105.19 108.51 2cpt n GLY 106 Ca -0.04 -2.49 -0.31 0.00 0.00 0.00 0.00 46.02 43.18 2cpt n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cpt s ASN 107 N -2.04 5.88 0.40 1.61 2.47 -1.26 -5.09 114.94 116.92 2cpt s ASN 107 Ca 0.37 1.50 0.08 0.00 0.42 0.00 0.00 52.86 55.23 2cpt s ASN 107 Cb 0.12 -2.48 -0.06 0.00 -1.45 0.00 0.00 41.25 37.38 2cpt s ASN 107 CO -0.06 -1.11 0.08 -0.62 -3.72 0.00 0.00 177.10 171.67 2cpt s ASP 108 N -4.00 4.15 0.12 -4.21 2.15 -1.26 -5.15 116.67 108.46 2cpt s ASP 108 Ca 0.56 -1.18 0.08 0.00 0.43 0.00 0.00 52.55 52.44 2cpt s ASP 108 Cb -0.12 -0.45 -0.04 0.00 -0.30 0.00 0.00 42.92 42.01 2cpt s ASP 108 CO 0.54 -0.44 -0.18 -0.55 -0.17 0.00 0.00 175.17 174.37 2cpt s SER 109 N -3.79 2.39 1.09 -0.34 0.15 -1.26 -5.15 113.70 106.80 2cpt s SER 109 Ca 0.37 -0.75 -0.15 0.00 0.70 0.00 0.00 55.95 56.12 2cpt s SER 109 Cb 0.05 -0.12 0.24 0.00 -1.71 0.00 0.00 66.02 64.48 2cpt s SER 109 CO 0.20 -0.02 1.09 -1.81 1.20 0.00 0.00 173.24 173.90 2cpt s ASP 110 N -2.21 1.80 0.56 5.45 1.11 -1.26 -5.05 116.67 117.07 2cpt s ASP 110 Ca 0.09 1.01 0.00 0.00 0.18 0.00 0.00 52.55 53.83 2cpt s ASP 110 Cb -0.08 -1.55 0.03 0.00 1.07 0.00 0.00 42.92 42.39 2cpt s ASP 110 CO 0.05 -3.62 0.79 -0.83 1.18 0.00 0.00 175.17 172.74 2cpt s GLY 111 N -3.51 1.80 0.27 0.21 0.00 -1.26 -5.12 107.32 99.71 2cpt s GLY 111 Ca 0.67 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 44.14 2cpt s GLY 111 CO 0.58 -0.99 0.17 -1.35 0.00 0.00 0.00 173.10 171.51 2cpt s SER 112 N -4.43 1.06 0.00 1.64 1.04 -1.26 -5.18 113.70 106.58 2cpt s SER 112 Ca 0.57 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2cpt s SER 112 Cb -0.10 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2cpt s SER 112 CO 0.39 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2cpt n GLY 113 N -0.47 4.63 1.89 7.32 0.00 -1.26 -5.14 105.19 112.16 2cpt n GLY 113 Ca 0.03 -2.00 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 2cpt n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cpt n PRO 114 N 0.00 -2.17 -3.83 1.61 -0.04 -1.26 -5.10 135.00 124.21 2cpt n PRO 114 Ca 0.00 -0.94 -0.07 0.00 -0.04 0.00 0.00 63.50 62.44 2cpt n PRO 114 Cb 0.00 -0.88 0.01 0.00 -0.04 0.00 0.00 33.50 32.58 2cpt n PRO 114 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cpt s SER 115 N -3.10 -0.09 0.02 3.54 0.15 -1.26 -5.18 113.70 107.79 2cpt s SER 115 Ca 0.38 -0.89 0.04 0.00 0.70 0.00 0.00 55.95 56.19 2cpt s SER 115 Cb -0.04 0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 65.02 2cpt s SER 115 CO 0.29 -1.48 -0.13 -0.55 1.20 0.00 0.00 173.24 172.58 2cpt s SER 116 N -3.04 1.50 0.00 5.45 0.15 -1.26 -5.37 113.70 111.13 2cpt s SER 116 Ca 0.14 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2cpt s SER 116 Cb -0.05 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2cpt s SER 116 CO 0.09 0.05 0.15 0.61 1.20 0.00 0.00 173.24 175.34