#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 7.07 0.68 1.61 0.15 -1.26 -4.99 113.70 116.95 2cpt s SER 2 Ca 0.00 1.88 -0.17 0.00 0.70 0.00 0.00 55.95 58.36 2cpt s SER 2 Cb 0.00 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.66 2cpt s SER 2 CO 0.00 -0.26 0.29 -1.54 1.20 0.00 0.00 173.24 172.93 2cpt n SER 3 N 0.12 -2.04 0.00 5.45 3.41 -1.26 -4.00 113.62 115.30 2cpt n SER 3 Ca 0.04 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2cpt n SER 3 Cb 0.51 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 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 1.99 2.90 3.64 5.00 0.00 -1.26 -5.06 105.19 112.40 2cpt n GLY 4 Ca 0.09 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 2cpt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cpt s SER 5 N 0.00 5.76 0.01 1.61 1.04 -1.26 -5.09 113.70 115.77 2cpt s SER 5 Ca 0.00 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.52 2cpt s SER 5 Cb 0.00 -2.00 -0.01 0.00 0.10 0.00 0.00 66.02 64.10 2cpt s SER 5 CO 0.00 0.14 -0.04 -0.55 0.98 0.00 0.00 173.24 173.77 2cpt s SER 6 N 0.61 0.38 1.34 7.02 0.15 -1.26 -4.94 113.70 117.00 2cpt s SER 6 Ca 0.05 -0.29 -0.22 0.00 0.70 0.00 0.00 55.95 56.19 2cpt s SER 6 Cb -0.13 0.02 0.34 0.00 -1.71 0.00 0.00 66.02 64.54 2cpt s SER 6 CO 0.01 -0.12 1.01 -0.83 1.20 0.00 0.00 173.24 174.51 2cpt s GLY 7 N -0.81 1.49 0.32 9.45 0.00 -1.26 -4.88 107.32 111.62 2cpt s GLY 7 Ca -0.07 -0.92 -0.25 0.00 0.00 0.00 0.00 44.72 43.49 2cpt s GLY 7 CO -0.00 0.06 0.40 1.15 0.00 0.00 0.00 173.10 174.71 2cpt n MET 8 N -5.29 0.19 -3.42 2.90 -0.00 -1.26 -4.90 117.12 105.35 2cpt n MET 8 Ca 0.13 0.07 -0.44 0.00 -0.00 0.00 0.00 57.70 57.46 2cpt n MET 8 Cb 0.60 -1.15 -0.08 0.00 -0.00 0.00 0.00 33.22 32.60 2cpt n MET 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2cpt s SER 9 N -0.96 6.07 1.16 3.17 0.01 -1.26 -5.07 113.70 116.82 2cpt s SER 9 Ca 0.62 -1.41 -0.16 0.00 1.31 0.00 0.00 55.95 56.31 2cpt s SER 9 Cb -0.75 -2.15 0.27 0.00 0.21 0.00 0.00 66.02 63.59 2cpt s SER 9 CO 0.59 -0.65 1.06 -0.94 0.41 0.00 0.00 173.24 173.71 2cpt s SER 10 N 2.62 1.20 -0.07 2.44 1.04 -1.26 -5.02 113.70 114.65 2cpt s SER 10 Ca 0.04 1.02 -0.12 0.00 0.48 0.00 0.00 55.95 57.36 2cpt s SER 10 Cb -0.25 -1.54 -0.05 0.00 0.10 0.00 0.00 66.02 64.29 2cpt s SER 10 CO 0.05 -4.00 0.30 0.28 0.98 0.00 0.00 173.24 170.86 2cpt s THR 11 N -2.78 5.24 0.78 2.02 -1.32 -1.26 -5.06 115.64 113.25 2cpt s THR 11 Ca 0.68 0.57 -0.15 0.00 -1.21 0.00 0.00 61.69 61.59 2cpt s THR 11 Cb -0.16 -3.59 0.01 0.00 -1.51 0.00 0.00 72.50 67.24 2cpt s THR 11 CO 0.59 0.55 0.78 -1.20 -2.21 0.00 0.00 174.62 173.13 2cpt n SER 12 N 2.24 -0.39 0.15 8.08 7.64 -1.26 -4.82 113.62 125.25 2cpt n SER 12 Ca -0.15 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.29 2cpt n SER 12 Cb 0.53 -1.33 0.25 0.00 -1.01 0.00 0.00 64.21 62.65 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 -0.65 0.04 -0.47 1.43 0.13 -1.99 -2.59 132.00 127.91 2cpt h PRO 13 Ca -0.46 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2cpt h PRO 13 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 2cpt h PRO 13 CO 0.43 0.52 -0.12 -0.91 -0.23 0.00 0.00 178.00 177.69 2cpt h ASN 14 N 0.04 0.85 -0.04 1.44 4.21 -1.95 -2.28 115.58 117.86 2cpt h ASN 14 Ca -0.00 -0.27 -0.04 0.00 1.21 0.00 0.00 56.30 57.20 2cpt h ASN 14 Cb 0.87 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 2cpt h ASN 14 CO 0.07 0.99 -0.13 0.25 -1.29 0.00 0.00 177.43 177.31 2cpt h LEU 15 N 0.77 0.18 -0.94 1.61 5.85 -1.84 -2.80 115.31 118.15 2cpt h LEU 15 Ca 0.12 -0.62 0.12 0.00 0.84 0.00 0.00 57.88 58.34 2cpt h LEU 15 Cb 0.63 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 2cpt h LEU 15 CO 0.04 0.77 0.57 -0.61 -0.34 0.00 0.00 178.44 178.88 2cpt h GLN 16 N -0.40 0.86 -0.43 1.25 5.75 -1.45 -1.35 115.11 119.34 2cpt h GLN 16 Ca -0.01 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 2cpt h GLN 16 Cb 0.76 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 2cpt h GLN 16 CO 0.03 0.57 0.10 -0.22 -2.65 0.00 0.00 178.83 176.66 2cpt h LYS 17 N 0.89 0.70 -0.63 1.69 3.64 -1.43 -2.69 116.57 118.72 2cpt h LYS 17 Ca 0.48 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.75 2cpt h LYS 17 Cb 0.51 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 2cpt h LYS 17 CO -0.28 0.70 0.33 0.00 -2.27 0.00 0.00 179.45 177.93 2cpt h ALA 18 N 0.96 0.84 0.86 5.00 0.00 -0.99 -1.61 119.26 124.33 2cpt h ALA 18 Ca 0.14 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2cpt h ALA 18 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2cpt h ALA 18 CO 0.00 -0.03 -0.47 0.82 0.00 0.00 0.00 179.25 179.58 2cpt h ILE 19 N 0.60 0.05 -0.46 0.00 2.04 -1.23 -2.05 117.51 116.46 2cpt h ILE 19 Ca 0.29 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.24 2cpt h ILE 19 Cb 0.23 0.05 -0.10 0.00 -0.74 0.00 0.00 36.82 36.26 2cpt h ILE 19 CO -0.21 0.00 -0.30 -0.78 0.00 0.00 0.00 178.15 176.86 2cpt h ASP 20 N -1.23 -1.02 -0.04 1.72 1.82 -1.30 -0.66 116.42 115.71 2cpt h ASP 20 Ca -0.12 0.20 0.01 0.00 -0.39 0.00 0.00 57.03 56.73 2cpt h ASP 20 Cb 0.96 0.50 -0.03 0.00 0.68 0.00 0.00 39.33 41.44 2cpt h ASP 20 CO 0.16 -0.30 -0.25 -0.07 -1.61 0.00 0.00 179.24 177.17 2cpt h LEU 21 N -0.20 -0.80 -1.01 2.28 3.38 -1.22 0.20 115.31 117.96 2cpt h LEU 21 Ca 0.20 0.09 0.29 0.00 0.09 0.00 0.00 57.88 58.55 2cpt h LEU 21 Cb 0.53 0.31 -0.14 0.00 0.09 0.00 0.00 40.66 41.44 2cpt h LEU 21 CO -0.58 -0.23 0.58 0.00 0.09 0.00 0.00 178.44 178.30 2cpt h ALA 22 N -0.93 1.89 -0.09 1.53 0.00 -0.97 0.13 119.26 120.81 2cpt h ALA 22 Ca 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2cpt h ALA 22 Cb 0.32 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2cpt h ALA 22 CO -0.19 -0.45 0.02 1.03 0.00 0.00 0.00 179.25 179.66 2cpt h SER 23 N 0.43 0.14 -0.66 0.00 0.87 0.24 -3.06 113.55 111.52 2cpt h SER 23 Ca 0.70 -0.24 0.05 0.00 -1.23 0.00 0.00 61.79 61.06 2cpt h SER 23 Cb 1.50 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.37 2cpt h SER 23 CO -0.55 0.35 0.38 0.50 -0.53 0.00 0.00 176.83 176.98 2cpt h LYS 24 N -0.07 0.70 -0.56 2.24 3.64 0.19 -2.70 116.57 120.01 2cpt h LYS 24 Ca 0.03 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2cpt h LYS 24 Cb 0.27 -0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 31.82 2cpt h LYS 24 CO 0.00 0.47 -0.36 0.00 -2.27 0.00 0.00 179.45 177.29 2cpt h ALA 25 N 1.32 -0.13 -0.34 5.00 0.00 -1.05 -0.49 119.26 123.58 2cpt h ALA 25 Ca 0.28 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.39 2cpt h ALA 25 Cb 0.12 0.81 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 2cpt h ALA 25 CO -0.15 -0.72 0.02 0.00 0.00 0.00 0.00 179.25 178.40 2cpt h ALA 26 N 0.87 0.32 -0.62 0.00 0.00 -1.46 -1.86 119.26 116.51 2cpt h ALA 26 Ca 0.21 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.34 2cpt h ALA 26 Cb 0.55 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.37 2cpt h ALA 26 CO -0.66 -0.38 -0.05 1.96 0.00 0.00 0.00 179.25 180.12 2cpt h GLN 27 N 0.12 0.07 0.64 0.00 1.08 -0.93 -1.71 115.11 114.38 2cpt h GLN 27 Ca 0.16 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.33 2cpt h GLN 27 Cb 0.21 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2cpt h GLN 27 CO -0.25 0.05 -0.31 0.93 -0.95 0.00 0.00 178.83 178.30 2cpt h GLU 28 N 0.08 -0.82 -0.86 1.46 4.39 -0.73 -1.48 114.58 116.61 2cpt h GLU 28 Ca 0.32 0.06 0.12 0.00 0.34 0.00 0.00 59.36 60.20 2cpt h GLU 28 Cb 0.52 0.19 -0.14 0.00 -0.10 0.00 0.00 28.75 29.22 2cpt h GLU 28 CO -0.57 -0.53 -0.43 0.22 -1.16 0.00 0.00 179.01 176.54 2cpt h ASP 29 N -0.90 -1.55 -0.39 1.42 1.82 -0.68 0.28 116.42 116.42 2cpt h ASP 29 Ca -0.09 0.29 0.02 0.00 -0.39 0.00 0.00 57.03 56.87 2cpt h ASP 29 Cb 0.67 0.76 -0.03 0.00 0.68 0.00 0.00 39.33 41.41 2cpt h ASP 29 CO 0.14 -0.29 0.22 0.50 -1.61 0.00 0.00 179.24 178.20 2cpt h LYS 30 N -0.07 0.43 -0.05 0.28 3.64 -1.27 -1.21 116.57 118.31 2cpt h LYS 30 Ca 0.27 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2cpt h LYS 30 Cb 0.55 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2cpt h LYS 30 CO -0.88 0.28 0.06 0.00 -2.27 0.00 0.00 179.45 176.64 2cpt h ALA 31 N 1.19 1.63 0.00 5.00 0.00 0.46 -3.45 119.26 124.09 2cpt h ALA 31 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2cpt h ALA 31 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2cpt h ALA 31 CO -0.09 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.49 2cpt n GLY 32 N -1.36 1.09 3.51 0.00 0.00 0.65 -5.08 105.19 104.00 2cpt n GLY 32 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.39 6.24 -0.23 1.61 0.01 0.16 -4.92 114.94 117.42 2cpt s ASN 33 Ca 0.00 -0.42 -0.16 0.00 -0.71 0.00 0.00 52.86 51.57 2cpt s ASN 33 Cb 0.00 -2.25 -0.11 0.00 0.41 0.00 0.00 41.25 39.30 2cpt s ASN 33 CO 0.00 -0.57 -0.22 -1.22 -1.51 0.00 0.00 177.10 173.58 2cpt n TYR 34 N 5.74 0.30 -0.34 2.20 4.02 -1.26 -1.97 117.16 125.85 2cpt n TYR 34 Ca -0.06 0.13 0.08 0.00 -0.01 0.00 0.00 57.90 58.04 2cpt n TYR 34 Cb 0.48 -0.89 0.24 0.00 -0.02 0.00 0.00 39.34 39.15 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 -1.00 0.85 -0.12 -0.72 4.11 -1.91 0.40 114.58 116.19 2cpt h GLU 35 Ca -0.41 -0.05 -0.17 0.00 0.07 0.00 0.00 59.36 58.80 2cpt h GLU 35 Cb 1.31 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2cpt h GLU 35 CO -0.25 0.56 -0.64 1.49 0.07 0.00 0.00 179.01 180.24 2cpt h GLU 36 N 0.87 0.44 -0.06 1.06 4.57 -1.98 -3.13 114.58 116.36 2cpt h GLU 36 Ca 0.50 -0.31 -0.16 0.00 -1.18 0.00 0.00 59.36 58.21 2cpt h GLU 36 Cb 0.58 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2cpt h GLU 36 CO -0.30 0.93 -0.66 0.00 -1.18 0.00 0.00 179.01 177.81 2cpt h ALA 37 N 0.99 0.78 0.52 2.92 0.00 -1.15 -3.17 119.26 120.15 2cpt h ALA 37 Ca -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 2cpt h ALA 37 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2cpt h ALA 37 CO 0.11 0.77 -0.40 1.25 0.00 0.00 0.00 179.25 180.98 2cpt h LEU 38 N 0.16 -1.04 -0.23 0.00 5.85 -0.22 -0.27 115.31 119.56 2cpt h LEU 38 Ca -0.01 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.83 2cpt h LEU 38 Cb 1.19 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 42.47 2cpt h LEU 38 CO 0.10 -0.57 -0.43 1.56 -0.34 0.00 0.00 178.44 178.76 2cpt h GLN 39 N -0.88 -0.42 -0.90 1.25 1.08 -1.65 -0.25 115.11 113.34 2cpt h GLN 39 Ca -0.07 0.03 0.20 0.00 -1.45 0.00 0.00 58.65 57.36 2cpt h GLN 39 Cb 0.73 0.10 -0.11 0.00 -0.05 0.00 0.00 27.48 28.15 2cpt h GLN 39 CO 0.02 -0.28 0.44 -0.07 -0.95 0.00 0.00 178.83 177.99 2cpt h LEU 40 N -0.44 0.45 -1.11 1.46 3.38 -1.51 0.26 115.31 117.80 2cpt h LEU 40 Ca 0.09 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2cpt h LEU 40 Cb 0.61 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2cpt h LEU 40 CO -0.46 0.10 0.56 1.88 0.09 0.00 0.00 178.44 180.61 2cpt h TYR 41 N 0.51 1.12 0.08 1.13 0.05 0.69 -1.12 116.97 119.43 2cpt h TYR 41 Ca 0.54 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.33 2cpt h TYR 41 Cb 0.93 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 38.30 2cpt h TYR 41 CO -0.10 0.72 -0.04 1.96 -1.05 0.00 0.00 178.16 179.65 2cpt h GLN 42 N 1.19 -0.10 -0.38 4.88 4.20 0.37 -3.29 115.11 121.98 2cpt h GLN 42 Ca 0.32 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.12 2cpt h GLN 42 Cb -0.11 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.61 2cpt h GLN 42 CO -0.07 0.44 -0.18 0.45 -0.67 0.00 0.00 178.83 178.81 2cpt h HIS 43 N -0.77 -0.44 -0.94 2.96 3.86 -0.68 -0.69 115.15 118.45 2cpt h HIS 43 Ca -0.01 0.04 0.28 0.00 -1.16 0.00 0.00 60.37 59.52 2cpt h HIS 43 Cb 0.59 0.25 -0.16 0.00 1.06 0.00 0.00 27.41 29.15 2cpt h HIS 43 CO 0.12 -0.26 0.25 0.00 0.86 0.00 0.00 177.93 178.90 2cpt h ALA 44 N 1.16 1.43 -0.12 2.45 0.00 -1.30 0.19 119.26 123.08 2cpt h ALA 44 Ca 0.19 0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 2cpt h ALA 44 Cb 0.40 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2cpt h ALA 44 CO -0.45 -0.58 -0.12 0.28 0.00 0.00 0.00 179.25 178.38 2cpt h VAL 45 N 0.13 1.36 -0.66 0.00 2.07 -1.22 -2.00 116.25 115.92 2cpt h VAL 45 Ca 0.62 -1.28 0.14 0.00 0.82 0.00 0.00 66.70 67.00 2cpt h VAL 45 Cb 1.36 1.94 -0.11 0.00 -1.52 0.00 0.00 31.29 32.96 2cpt h VAL 45 CO -0.75 0.37 0.04 1.56 0.02 0.00 0.00 177.57 178.81 2cpt h GLN 46 N -0.11 0.14 -0.19 1.57 4.20 0.19 0.97 115.11 121.88 2cpt h GLN 46 Ca 0.02 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 2cpt h GLN 46 Cb 0.65 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 2cpt h GLN 46 CO 0.03 0.09 -0.12 1.88 -0.67 0.00 0.00 178.83 180.04 2cpt h TYR 47 N 0.15 0.49 0.10 2.96 0.05 -1.25 -2.81 116.97 116.65 2cpt h TYR 47 Ca 0.36 -0.13 0.02 0.00 0.05 0.00 0.00 58.73 59.03 2cpt h TYR 47 Cb 0.59 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 38.17 2cpt h TYR 47 CO -0.35 0.74 -0.38 0.74 -1.05 0.00 0.00 178.16 177.86 2cpt h PHE 48 N 0.10 -1.05 -0.05 4.88 0.04 -0.46 -2.55 116.94 117.86 2cpt h PHE 48 Ca 0.04 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.87 2cpt h PHE 48 Cb 0.63 0.45 -0.06 0.00 2.20 0.00 0.00 35.95 39.17 2cpt h PHE 48 CO 0.07 -0.48 -0.41 -0.07 -0.60 0.00 0.00 178.31 176.82 2cpt h LEU 49 N -0.60 -1.25 -1.50 1.54 3.38 -0.91 0.05 115.31 116.02 2cpt h LEU 49 Ca 0.03 0.16 0.43 0.00 0.09 0.00 0.00 57.88 58.59 2cpt h LEU 49 Cb 0.64 0.50 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 2cpt h LEU 49 CO -0.24 -0.44 0.90 -0.74 0.09 0.00 0.00 178.44 178.01 2cpt h HIS 50 N -0.53 0.45 -0.05 1.13 2.76 -1.24 0.50 115.15 118.16 2cpt h HIS 50 Ca 0.06 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 2cpt h HIS 50 Cb 0.63 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.48 2cpt h HIS 50 CO -0.44 -0.15 -0.10 0.28 -1.30 0.00 0.00 177.93 176.22 2cpt h VAL 51 N 0.09 1.42 0.00 5.26 2.07 -0.59 -2.04 116.25 122.47 2cpt h VAL 51 Ca 0.80 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2cpt h VAL 51 Cb 2.61 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 34.61 2cpt h VAL 51 CO -0.34 0.39 0.00 0.52 0.02 0.00 0.00 177.57 178.15 2cpt n VAL 52 N -4.68 0.53 -0.09 2.57 0.31 0.16 0.12 118.33 117.25 2cpt n VAL 52 Ca -0.08 0.13 -0.12 0.00 -0.01 0.00 0.00 64.34 64.26 2cpt n VAL 52 Cb 0.35 -0.92 -0.04 0.00 -0.91 0.00 0.00 33.84 32.32 2cpt n VAL 52 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2cpt n LYS 53 N -1.23 0.52 -0.09 5.55 4.81 -0.24 -4.56 118.16 122.93 2cpt n LYS 53 Ca 0.07 0.32 -0.16 0.00 -0.87 0.00 0.00 58.31 57.68 2cpt n LYS 53 Cb 0.09 -1.53 -0.05 0.00 0.02 0.00 0.00 35.03 33.56 2cpt n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2cpt n TYR 54 N -4.46 0.00 -0.46 5.64 4.02 -0.78 -4.55 117.16 116.56 2cpt n TYR 54 Ca -0.20 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.64 2cpt n TYR 54 Cb 0.53 -0.60 0.01 0.00 -0.02 0.00 0.00 39.34 39.26 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 -4.15 1.22 -1.65 -0.72 -0.58 -0.11 -4.94 120.64 109.71 2cpt n GLU 55 Ca -0.28 -0.43 -0.51 0.00 -0.42 0.00 0.00 57.16 55.52 2cpt n GLU 55 Cb 0.61 -1.17 -0.06 0.00 -0.57 0.00 0.00 31.44 30.26 2cpt n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cpt n ALA 56 N 1.08 0.03 -0.00 0.62 0.00 0.33 -4.52 120.51 118.03 2cpt n ALA 56 Ca 0.08 0.44 -0.00 0.00 0.00 0.00 0.00 53.44 53.96 2cpt n ALA 56 Cb 0.54 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.75 2cpt n ALA 56 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2cpt h GLN 57 N 6.07 0.00 -1.58 0.00 1.08 -1.92 -3.49 115.11 115.27 2cpt h GLN 57 Ca -0.47 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 56.80 2cpt h GLN 57 Cb 1.30 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 28.49 2cpt h GLN 57 CO 0.87 0.00 0.51 0.20 -0.95 0.00 0.00 178.83 179.45 2cpt s GLY 58 N -2.18 -0.23 0.24 3.46 0.00 -1.26 -4.97 107.32 102.38 2cpt s GLY 58 Ca -0.00 2.25 0.04 0.00 0.00 0.00 0.00 44.72 47.01 2cpt s GLY 58 CO 0.00 1.32 1.15 2.09 0.00 0.00 0.00 173.10 177.66 2cpt n ASP 59 N 1.26 -0.03 -0.05 1.64 5.75 -1.26 0.18 116.55 124.04 2cpt n ASP 59 Ca -0.11 1.24 -0.12 0.00 -0.01 0.00 0.00 54.79 55.79 2cpt n ASP 59 Cb 0.57 -0.48 -0.06 0.00 -1.03 0.00 0.00 41.12 40.12 2cpt n ASP 59 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2cpt h LYS 60 N 0.00 0.26 0.47 0.11 1.63 -2.01 -3.20 116.57 113.82 2cpt h LYS 60 Ca 0.48 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 60.17 2cpt h LYS 60 Cb 1.05 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2cpt h LYS 60 CO -0.67 0.49 -0.23 0.00 -3.45 0.00 0.00 179.45 175.59 2cpt h ALA 61 N 0.76 -0.64 -0.79 5.00 0.00 0.14 -2.75 119.26 120.99 2cpt h ALA 61 Ca 0.04 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.95 2cpt h ALA 61 Cb 0.37 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 18.27 2cpt h ALA 61 CO 0.01 -0.83 -0.23 1.63 0.00 0.00 0.00 179.25 179.83 2cpt n LYS 62 N -5.35 -0.10 -0.20 0.00 4.01 0.85 0.18 118.16 117.55 2cpt n LYS 62 Ca -0.12 1.22 -0.08 0.00 -0.51 0.00 0.00 58.31 58.83 2cpt n LYS 62 Cb 0.28 -1.82 0.02 0.00 -0.51 0.00 0.00 35.03 33.00 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 0.86 -0.11 1.97 1.08 -1.53 0.34 115.11 117.72 2cpt h GLN 63 Ca 0.35 -0.16 0.03 0.00 -1.45 0.00 0.00 58.65 57.42 2cpt h GLN 63 Cb 0.55 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 2cpt h GLN 63 CO -0.80 0.75 -0.08 0.66 -0.95 0.00 0.00 178.83 178.41 2cpt h SER 64 N 0.79 -0.24 -0.18 1.46 4.64 0.22 -0.65 113.55 119.58 2cpt h SER 64 Ca 0.19 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.53 2cpt h SER 64 Cb 0.22 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2cpt h SER 64 CO -0.01 -0.10 -0.01 0.40 -0.87 0.00 0.00 176.83 176.23 2cpt h ILE 65 N -0.08 1.26 -0.05 0.95 2.04 -0.87 -3.24 117.51 117.52 2cpt h ILE 65 Ca 0.07 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.06 2cpt h ILE 65 Cb 0.18 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 2cpt h ILE 65 CO -0.16 0.27 -0.42 0.03 0.00 0.00 0.00 178.15 177.87 2cpt h ARG 66 N 0.07 -0.52 -0.98 2.37 3.08 -0.70 -1.21 114.38 116.49 2cpt h ARG 66 Ca 0.05 0.04 0.32 0.00 0.07 0.00 0.00 59.98 60.45 2cpt h ARG 66 Cb 0.41 0.12 -0.18 0.00 0.08 0.00 0.00 29.97 30.40 2cpt h ARG 66 CO 0.01 -0.35 0.18 0.00 -1.07 0.00 0.00 179.97 178.75 2cpt n ALA 67 N -2.89 0.67 -0.10 0.04 0.00 -0.27 0.93 120.51 118.88 2cpt n ALA 67 Ca -0.05 1.04 -0.11 0.00 0.00 0.00 0.00 53.44 54.32 2cpt n ALA 67 Cb 0.37 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 2cpt n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2cpt h LYS 68 N 0.00 0.54 -0.72 0.00 6.56 -1.29 -2.56 116.57 119.10 2cpt h LYS 68 Ca 0.67 -0.18 0.14 0.00 -1.06 0.00 0.00 60.65 60.23 2cpt h LYS 68 Cb 1.54 -0.04 -0.10 0.00 -0.57 0.00 0.00 32.23 33.06 2cpt h LYS 68 CO -0.87 0.70 0.22 0.00 -2.06 0.00 0.00 179.45 177.44 2cpt h THR 70 N 0.34 1.26 0.52 0.00 2.02 -1.25 -0.79 112.91 115.01 2cpt h THR 70 Ca 0.40 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 2cpt h THR 70 Cb 0.63 1.05 0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2cpt h THR 70 CO -0.45 0.41 -0.25 -0.08 0.37 0.00 0.00 175.52 175.53 2cpt h GLU 71 N 0.74 -0.67 -0.93 6.66 4.57 -0.58 -1.62 114.58 122.75 2cpt h GLU 71 Ca 0.12 0.05 0.12 0.00 -1.18 0.00 0.00 59.36 58.47 2cpt h GLU 71 Cb 0.62 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.29 2cpt h GLU 71 CO 0.04 -0.45 0.59 1.88 -1.18 0.00 0.00 179.01 179.90 2cpt h TYR 72 N -1.00 0.96 -0.20 0.92 0.05 -0.72 -1.04 116.97 115.93 2cpt h TYR 72 Ca -0.07 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 2cpt h TYR 72 Cb 0.53 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 2cpt h TYR 72 CO 0.03 0.38 0.10 -0.07 -1.05 0.00 0.00 178.16 177.55 2cpt h LEU 73 N 0.84 0.27 -0.82 3.88 3.38 -1.16 -1.72 115.31 119.99 2cpt h LEU 73 Ca 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2cpt h LEU 73 Cb 0.56 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2cpt h LEU 73 CO -0.22 0.32 0.46 -0.78 0.09 0.00 0.00 178.44 178.31 2cpt h ASP 74 N 0.20 1.01 0.05 -0.43 1.82 -0.35 -2.16 116.42 116.55 2cpt h ASP 74 Ca 0.07 -0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2cpt h ASP 74 Cb 0.13 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.88 2cpt h ASP 74 CO -0.01 0.81 -0.02 -0.09 -1.61 0.00 0.00 179.24 178.32 2cpt h ARG 75 N 1.13 -0.06 -0.85 0.28 9.65 -1.01 -2.57 114.38 120.95 2cpt h ARG 75 Ca 0.29 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.24 2cpt h ARG 75 Cb 0.02 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.56 2cpt h ARG 75 CO -0.05 -0.03 0.55 0.00 2.80 0.00 0.00 179.97 183.24 2cpt h ALA 76 N 0.87 1.59 -0.99 2.80 0.00 -1.12 -1.54 119.26 120.88 2cpt h ALA 76 Ca -0.01 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.02 2cpt h ALA 76 Cb 0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 2cpt h ALA 76 CO 0.01 0.27 0.62 0.93 0.00 0.00 0.00 179.25 181.09 2cpt h GLU 77 N 0.92 0.87 0.18 0.00 5.08 -0.97 -2.30 114.58 118.36 2cpt h GLU 77 Ca 0.37 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2cpt h GLU 77 Cb 0.25 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2cpt h GLU 77 CO -0.14 0.58 -0.09 0.87 -1.00 0.00 0.00 179.01 179.23 2cpt h LYS 78 N 0.90 -0.24 -1.36 2.33 1.79 -1.19 -3.02 116.57 115.79 2cpt h LYS 78 Ca 0.51 0.02 0.43 0.00 -2.18 0.00 0.00 60.65 59.42 2cpt h LYS 78 Cb 0.61 0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 31.20 2cpt h LYS 78 CO -0.28 0.11 0.89 -0.07 -1.08 0.00 0.00 179.45 179.03 2cpt h LEU 79 N -0.63 0.22 0.17 2.94 3.38 -1.23 0.37 115.31 120.53 2cpt h LEU 79 Ca -0.03 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2cpt h LEU 79 Cb 0.46 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2cpt h LEU 79 CO 0.04 -0.13 -0.08 0.11 0.09 0.00 0.00 178.44 178.47 2cpt h LYS 80 N 0.10 -0.22 0.00 1.13 1.57 -1.37 0.38 116.57 118.16 2cpt h LYS 80 Ca 0.80 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.59 2cpt h LYS 80 Cb 2.58 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.94 2cpt h LYS 80 CO -0.34 0.11 0.00 0.39 -0.57 0.00 0.00 179.45 179.04 2cpt n GLU 81 N -5.04 0.09 -0.09 3.15 1.02 0.11 -1.07 120.64 118.81 2cpt n GLU 81 Ca -0.09 0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 57.34 2cpt n GLU 81 Cb 0.23 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 29.80 2cpt n GLU 81 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2cpt n TYR 82 N -1.87 0.24 0.09 -0.32 4.19 -0.09 -3.91 117.16 115.48 2cpt n TYR 82 Ca 0.01 0.07 -0.16 0.00 3.31 0.00 0.00 57.90 61.13 2cpt n TYR 82 Cb 0.13 -1.04 -0.09 0.00 0.49 0.00 0.00 39.34 38.83 2cpt n TYR 82 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 2cpt h LEU 83 N 0.01 0.58 -1.12 2.98 3.38 0.24 -3.23 115.31 118.14 2cpt h LEU 83 Ca -0.51 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 56.85 2cpt h LEU 83 Cb 2.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 2cpt h LEU 83 CO 0.01 1.35 -0.29 0.07 0.09 0.00 0.00 178.44 179.67 2cpt h LYS 84 N 0.19 0.25 -0.60 1.13 2.10 -1.31 0.28 116.57 118.61 2cpt h LYS 84 Ca -0.12 -0.09 -0.07 0.00 -2.00 0.00 0.00 60.65 58.36 2cpt h LYS 84 Cb 1.78 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 33.07 2cpt h LYS 84 CO 0.19 0.52 0.08 -0.97 -2.00 0.00 0.00 179.45 177.27 2cpt h ASN 85 N 0.23 0.93 0.21 7.07 -0.73 -1.67 -3.17 115.58 118.45 2cpt h ASN 85 Ca 0.03 -0.22 -0.35 0.00 1.87 0.00 0.00 56.30 57.64 2cpt h ASN 85 Cb 0.63 -0.25 0.01 0.00 0.27 0.00 0.00 38.32 38.98 2cpt h ASN 85 CO 0.05 0.95 -1.72 0.07 -0.37 0.00 0.00 177.43 176.41 2cpt h LYS 86 N 0.92 0.42 -6.74 6.67 2.10 -1.52 -3.47 116.57 114.95 2cpt h LYS 86 Ca 0.18 -0.71 -0.57 0.00 -2.00 0.00 0.00 60.65 57.55 2cpt h LYS 86 Cb 0.43 0.26 0.16 0.00 -0.90 0.00 0.00 32.23 32.18 2cpt h LYS 86 CO 0.01 1.34 0.05 -1.91 -2.00 0.00 0.00 179.45 176.94 2cpt n GLU 87 N -3.61 0.95 -4.72 0.07 4.07 0.95 -5.01 120.64 113.35 2cpt n GLU 87 Ca -0.24 0.36 -0.26 0.00 -0.06 0.00 0.00 57.16 56.96 2cpt n GLU 87 Cb 1.08 -2.07 -0.17 0.00 -0.06 0.00 0.00 31.44 30.23 2cpt n GLU 87 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 2cpt s LYS 88 N -2.47 1.91 0.58 5.31 -2.85 -1.26 -4.91 119.74 116.05 2cpt s LYS 88 Ca 0.72 -0.51 -0.15 0.00 -1.00 0.00 0.00 55.97 55.03 2cpt s LYS 88 Cb -0.45 -1.56 -0.05 0.00 -2.06 0.00 0.00 37.83 33.71 2cpt s LYS 88 CO 0.51 0.08 1.03 0.21 0.10 0.00 0.00 175.35 177.28 2cpt s LYS 89 N 0.51 3.53 0.07 1.78 2.20 -1.26 -4.99 119.74 121.58 2cpt s LYS 89 Ca -0.14 1.01 -0.26 0.00 -0.36 0.00 0.00 55.97 56.22 2cpt s LYS 89 Cb -0.15 -2.07 -0.12 0.00 -1.51 0.00 0.00 37.83 33.98 2cpt s LYS 89 CO 0.04 -0.63 1.41 0.00 -0.36 0.00 0.00 175.35 175.81 2cpt h ALA 90 N 0.32 -0.98 -2.25 3.13 0.00 -2.05 -3.43 119.26 114.00 2cpt h ALA 90 Ca -0.46 -0.12 -0.51 0.00 0.00 0.00 0.00 54.91 53.83 2cpt h ALA 90 Cb 1.20 0.68 0.20 0.00 0.00 0.00 0.00 17.79 19.87 2cpt h ALA 90 CO 0.59 -1.03 0.19 -0.65 0.00 0.00 0.00 179.25 178.35 2cpt s GLN 91 N -5.06 0.76 0.33 0.00 1.11 -1.26 -4.87 119.66 110.67 2cpt s GLN 91 Ca -0.13 1.40 -0.22 0.00 0.01 0.00 0.00 55.36 56.43 2cpt s GLN 91 Cb 0.04 -1.71 -0.15 0.00 -1.01 0.00 0.00 33.01 30.18 2cpt s GLN 91 CO 0.44 -2.76 0.20 0.36 0.01 0.00 0.00 175.29 173.54 2cpt n LYS 92 N -4.31 0.00 -1.12 2.91 2.85 -1.26 -4.92 118.16 112.31 2cpt n LYS 92 Ca 0.10 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.07 2cpt n LYS 92 Cb 0.52 -0.95 0.21 0.00 -0.65 0.00 0.00 35.03 34.17 2cpt n LYS 92 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2cpt s PRO 93 N -0.95 -0.54 0.04 -1.58 0.04 -1.26 -4.95 135.00 125.80 2cpt s PRO 93 Ca 0.57 0.17 -0.15 0.00 0.04 0.00 0.00 61.00 61.64 2cpt s PRO 93 Cb -0.68 -1.65 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 2cpt s PRO 93 CO 0.58 -3.31 0.45 0.54 0.04 0.00 0.00 177.00 175.30 2cpt s VAL 94 N -2.99 4.97 0.12 -0.36 0.11 -1.26 -5.06 120.40 115.93 2cpt s VAL 94 Ca 0.69 0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 60.26 2cpt s VAL 94 Cb -0.14 -3.73 -0.06 0.00 -1.53 0.00 0.00 36.38 30.92 2cpt s VAL 94 CO 0.57 0.49 1.08 -0.54 -3.33 0.00 0.00 175.10 173.36 2cpt s LYS 95 N -1.33 4.57 0.08 1.54 3.01 -1.26 -5.02 119.74 121.33 2cpt s LYS 95 Ca 0.28 1.65 -0.27 0.00 -1.01 0.00 0.00 55.97 56.62 2cpt s LYS 95 Cb -0.16 -3.33 0.08 0.00 -1.01 0.00 0.00 37.83 33.41 2cpt s LYS 95 CO 0.16 0.01 0.91 -1.83 0.51 0.00 0.00 175.35 175.11 2cpt s GLU 96 N 0.17 1.03 -1.13 1.68 -1.05 -1.26 -5.09 118.70 113.05 2cpt s GLU 96 Ca 0.51 -0.48 -0.15 0.00 -0.15 0.00 0.00 54.97 54.70 2cpt s GLU 96 Cb -0.27 0.40 0.16 0.00 -0.44 0.00 0.00 34.13 33.98 2cpt s GLU 96 CO 0.32 -0.46 1.34 0.20 0.95 0.00 0.00 175.26 177.61 2cpt s GLY 97 N -2.71 2.28 -0.63 -3.83 0.00 -1.26 -4.89 107.32 96.27 2cpt s GLY 97 Ca 0.08 -3.20 0.05 0.00 0.00 0.00 0.00 44.72 41.65 2cpt s GLY 97 CO -0.04 2.03 0.45 1.62 0.00 0.00 0.00 173.10 177.16 2cpt s GLN 98 N 1.86 2.11 1.23 2.90 2.00 -1.26 -5.11 119.66 123.40 2cpt s GLN 98 Ca 0.40 -3.05 -0.20 0.00 -2.00 0.00 0.00 55.36 50.51 2cpt s GLN 98 Cb -0.03 -3.00 0.30 0.00 0.80 0.00 0.00 33.01 31.07 2cpt s GLN 98 CO -0.03 -1.30 1.11 -1.25 -0.50 0.00 0.00 175.29 173.33 2cpt s PRO 99 N -1.07 -1.48 0.06 1.67 0.04 -1.26 -5.10 135.00 127.85 2cpt s PRO 99 Ca 0.26 -0.16 -0.13 0.00 0.04 0.00 0.00 61.00 61.01 2cpt s PRO 99 Cb -0.04 -1.57 0.02 0.00 0.04 0.00 0.00 34.50 32.94 2cpt s PRO 99 CO -0.16 -3.86 0.29 -1.12 0.04 0.00 0.00 177.00 172.19 2cpt s SER 100 N -3.97 -0.09 0.57 6.66 0.01 -1.26 -5.16 113.70 110.47 2cpt s SER 100 Ca 0.72 -0.28 -0.18 0.00 1.31 0.00 0.00 55.95 57.52 2cpt s SER 100 Cb -0.08 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 2cpt s SER 100 CO 0.56 -0.65 1.12 -2.16 0.41 0.00 0.00 173.24 172.52 2cpt s PRO 101 N -2.86 3.21 -0.18 12.44 0.04 -1.26 -5.01 135.00 141.39 2cpt s PRO 101 Ca -0.03 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 62.35 2cpt s PRO 101 Cb 0.00 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2cpt s PRO 101 CO -0.05 -0.95 0.61 0.00 0.04 0.00 0.00 177.00 176.65 2cpt s ALA 102 N -1.93 3.51 0.59 8.56 0.00 -1.26 -5.07 121.76 126.16 2cpt s ALA 102 Ca 0.71 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.48 2cpt s ALA 102 Cb -0.23 -2.92 0.07 0.00 0.00 0.00 0.00 23.12 20.04 2cpt s ALA 102 CO 0.31 -0.44 0.81 -0.51 0.00 0.00 0.00 175.76 175.93 2cpt s ASP 103 N 1.09 5.01 -0.15 0.00 1.11 -1.26 -5.10 116.67 117.37 2cpt s ASP 103 Ca 0.29 -0.45 -0.03 0.00 0.18 0.00 0.00 52.55 52.54 2cpt s ASP 103 Cb -0.16 -0.22 -0.03 0.00 1.07 0.00 0.00 42.92 43.59 2cpt s ASP 103 CO 0.11 -1.35 -0.05 -1.83 1.18 0.00 0.00 175.17 173.23 2cpt s GLU 104 N -4.77 3.59 0.20 8.23 -1.05 -1.26 -5.07 118.70 118.56 2cpt s GLU 104 Ca 0.61 -0.54 -0.32 0.00 -0.15 0.00 0.00 54.97 54.57 2cpt s GLU 104 Cb -0.07 -2.86 -0.15 0.00 -0.44 0.00 0.00 34.13 30.61 2cpt s GLU 104 CO 0.39 0.26 1.22 1.17 0.95 0.00 0.00 175.26 179.26 2cpt n LYS 105 N 3.45 1.42 0.00 -4.83 4.81 -1.26 -4.93 118.16 116.81 2cpt n LYS 105 Ca -0.17 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 2cpt n LYS 105 Cb 0.53 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.54 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 2.00 -2.82 3.59 3.14 0.00 -1.26 -4.99 105.19 104.85 2cpt n GLY 106 Ca 0.14 0.07 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.10 -0.19 0.38 1.61 3.84 -1.26 -5.19 114.94 112.03 2cpt s ASN 107 Ca 0.00 0.09 0.04 0.00 0.21 0.00 0.00 52.86 53.20 2cpt s ASN 107 Cb 0.00 0.18 -0.04 0.00 -0.55 0.00 0.00 41.25 40.84 2cpt s ASN 107 CO 0.00 -0.25 0.09 -1.81 -2.79 0.00 0.00 177.10 172.34 2cpt s ASP 108 N -1.73 2.69 0.24 -4.21 1.11 -1.26 -5.18 116.67 108.33 2cpt s ASP 108 Ca 0.06 -1.55 0.01 0.00 0.18 0.00 0.00 52.55 51.26 2cpt s ASP 108 Cb -0.01 0.27 -0.04 0.00 1.07 0.00 0.00 42.92 44.21 2cpt s ASP 108 CO -0.04 -0.79 0.18 -0.44 1.18 0.00 0.00 175.17 175.25 2cpt s SER 109 N -3.57 0.58 0.18 0.27 0.01 -1.26 -5.18 113.70 104.73 2cpt s SER 109 Ca 0.28 -1.49 -0.07 0.00 1.31 0.00 0.00 55.95 55.98 2cpt s SER 109 Cb 0.05 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.70 2cpt s SER 109 CO 0.14 -0.91 0.26 1.51 0.41 0.00 0.00 173.24 174.65 2cpt s ASP 110 N -3.22 0.07 0.63 2.44 -4.77 -1.26 -5.18 116.67 105.39 2cpt s ASP 110 Ca 0.39 -1.04 0.00 0.00 -3.30 0.00 0.00 52.55 48.60 2cpt s ASP 110 Cb 0.06 0.43 0.00 0.00 -1.09 0.00 0.00 42.92 42.32 2cpt s ASP 110 CO 0.16 -0.91 0.00 0.61 0.70 0.00 0.00 175.17 175.74 2cpt n GLY 111 N -0.24 -0.37 3.97 2.12 0.00 -1.26 -5.11 105.19 104.30 2cpt n GLY 111 Ca -0.04 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 2cpt n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpt s SER 112 N -1.00 4.99 0.00 1.61 0.01 -1.26 -5.09 113.70 112.96 2cpt s SER 112 Ca 0.00 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2cpt s SER 112 Cb 0.00 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2cpt s SER 112 CO 0.00 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.11 2cpt n GLY 113 N -1.99 0.27 3.77 3.44 0.00 -1.26 -5.12 105.19 104.30 2cpt n GLY 113 Ca 0.08 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.00 4.03 0.42 1.61 0.04 -1.26 -5.05 135.00 132.78 2cpt s PRO 114 Ca 0.00 1.88 0.07 0.00 0.04 0.00 0.00 61.00 63.00 2cpt s PRO 114 Cb 0.00 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 2cpt s PRO 114 CO 0.00 -0.35 0.28 0.45 0.04 0.00 0.00 177.00 177.42 2cpt s SER 115 N -1.08 4.75 0.06 6.66 0.15 -1.26 -5.08 113.70 117.90 2cpt s SER 115 Ca 0.57 -0.91 -0.01 0.00 0.70 0.00 0.00 55.95 56.31 2cpt s SER 115 Cb -0.32 -0.52 -0.00 0.00 -1.71 0.00 0.00 66.02 63.47 2cpt s SER 115 CO 0.40 -0.60 -0.01 -0.24 1.20 0.00 0.00 173.24 173.98 2cpt n SER 116 N -1.40 0.81 0.00 5.45 2.88 -1.26 -5.35 113.62 114.75 2cpt n SER 116 Ca 0.01 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2cpt n SER 116 Cb 0.63 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2cpt n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42