#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 2.53 -3.59 1.61 7.64 -1.26 -4.91 113.62 115.65 2cpt n SER 2 Ca 0.00 0.75 -0.12 0.00 1.01 0.00 0.00 58.87 60.51 2cpt n SER 2 Cb 0.00 -1.25 -0.06 0.00 -1.01 0.00 0.00 64.21 61.89 2cpt n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cpt s SER 3 N 5.40 -0.50 0.04 6.43 1.04 -1.26 -5.15 113.70 119.70 2cpt s SER 3 Ca 1.02 0.73 -0.25 0.00 0.48 0.00 0.00 55.95 57.93 2cpt s SER 3 Cb -0.88 0.66 -0.05 0.00 0.10 0.00 0.00 66.02 65.84 2cpt s SER 3 CO 0.55 -0.34 0.76 -0.83 0.98 0.00 0.00 173.24 174.37 2cpt s GLY 4 N -0.57 2.78 0.12 7.32 0.00 -1.26 -5.06 107.32 110.66 2cpt s GLY 4 Ca -0.02 0.28 -0.10 0.00 0.00 0.00 0.00 44.72 44.87 2cpt s GLY 4 CO 0.01 1.10 0.27 -1.35 0.00 0.00 0.00 173.10 173.13 2cpt s SER 5 N -0.00 0.03 0.19 1.64 1.04 -1.26 -5.06 113.70 110.27 2cpt s SER 5 Ca 0.39 -0.66 -0.20 0.00 0.48 0.00 0.00 55.95 55.95 2cpt s SER 5 Cb -0.20 0.40 0.13 0.00 0.10 0.00 0.00 66.02 66.45 2cpt s SER 5 CO 0.23 -0.81 1.59 -1.28 0.98 0.00 0.00 173.24 173.95 2cpt h SER 6 N 2.60 -1.08 0.00 7.02 0.87 -2.09 -3.46 113.55 117.40 2cpt h SER 6 Ca -0.33 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2cpt h SER 6 Cb 1.22 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 2cpt h SER 6 CO 0.51 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.13 2cpt n GLY 7 N -1.43 0.71 3.46 5.77 0.00 -1.26 -5.09 105.19 107.35 2cpt n GLY 7 Ca 0.04 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 2cpt n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cpt s MET 8 N -0.53 3.17 -0.29 1.61 1.00 -1.26 -5.03 119.30 117.97 2cpt s MET 8 Ca 0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 55.69 54.68 2cpt s MET 8 Cb 0.00 -3.81 0.14 0.00 0.00 0.00 0.00 34.83 31.16 2cpt s MET 8 CO 0.00 -0.59 0.89 0.45 0.00 0.00 0.00 175.02 175.77 2cpt s SER 9 N 1.66 -0.70 -0.02 3.03 0.15 -1.26 -5.03 113.70 111.53 2cpt s SER 9 Ca 0.05 1.03 -0.02 0.00 0.70 0.00 0.00 55.95 57.71 2cpt s SER 9 Cb -0.18 1.57 -0.07 0.00 -1.71 0.00 0.00 66.02 65.63 2cpt s SER 9 CO 0.09 -0.15 2.50 -1.20 1.20 0.00 0.00 173.24 175.68 2cpt n SER 10 N 4.52 5.39 -4.54 5.45 7.64 -1.26 -4.94 113.62 125.89 2cpt n SER 10 Ca -0.14 -2.48 -0.56 0.00 1.01 0.00 0.00 58.87 56.70 2cpt n SER 10 Cb 0.55 -1.21 -0.07 0.00 -1.01 0.00 0.00 64.21 62.46 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 1.73 0.04 -1.26 0.44 5.66 -1.26 -4.83 114.28 114.80 2cpt n THR 11 Ca 0.15 -0.01 -0.37 0.00 -3.05 0.00 0.00 64.05 60.77 2cpt n THR 11 Cb 0.63 -0.34 0.05 0.00 -1.55 0.00 0.00 70.33 69.12 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 1.92 -2.16 0.05 1.09 7.64 -1.26 -4.77 113.62 116.13 2cpt n SER 12 Ca 0.19 0.58 -0.05 0.00 1.01 0.00 0.00 58.87 60.61 2cpt n SER 12 Cb 0.13 -1.09 0.16 0.00 -1.01 0.00 0.00 64.21 62.40 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 -0.27 0.36 -0.20 1.43 0.13 -2.00 -2.71 132.00 128.74 2cpt h PRO 13 Ca -0.44 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2cpt h PRO 13 Cb 1.37 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 2cpt h PRO 13 CO 0.41 0.74 0.13 -2.95 -0.23 0.00 0.00 178.00 176.10 2cpt h ASN 14 N 0.30 0.24 0.50 1.44 7.08 -1.98 -2.07 115.58 121.09 2cpt h ASN 14 Ca 0.02 -0.03 -0.02 0.00 -3.08 0.00 0.00 56.30 53.18 2cpt h ASN 14 Cb 0.91 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 37.09 2cpt h ASN 14 CO 0.08 0.20 -0.24 0.25 -2.08 0.00 0.00 177.43 175.63 2cpt h LEU 15 N 0.26 -0.57 -0.96 6.14 5.85 -1.87 -3.05 115.31 121.10 2cpt h LEU 15 Ca 0.07 0.02 0.25 0.00 0.84 0.00 0.00 57.88 59.06 2cpt h LEU 15 Cb -0.00 0.15 -0.18 0.00 0.37 0.00 0.00 40.66 41.00 2cpt h LEU 15 CO -0.01 -0.31 -0.04 1.67 -0.34 0.00 0.00 178.44 179.40 2cpt n GLN 16 N -4.36 -0.08 -0.34 1.25 -0.06 -1.03 0.19 117.38 112.95 2cpt n GLN 16 Ca -0.08 1.45 0.08 0.00 -2.00 0.00 0.00 57.00 56.45 2cpt n GLN 16 Cb 0.27 -2.27 0.27 0.00 -4.06 0.00 0.00 30.24 24.45 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 0.91 -0.57 3.69 3.64 -1.37 -0.39 116.57 122.49 2cpt h LYS 17 Ca 0.55 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.86 2cpt h LYS 17 Cb 1.08 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2cpt h LYS 17 CO -0.92 0.60 0.27 0.00 -2.27 0.00 0.00 179.45 177.13 2cpt h ALA 18 N 1.55 0.73 0.52 5.00 0.00 0.22 -0.45 119.26 126.83 2cpt h ALA 18 Ca 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2cpt h ALA 18 Cb 0.53 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2cpt h ALA 18 CO -0.25 0.29 -0.25 0.82 0.00 0.00 0.00 179.25 179.86 2cpt h ILE 19 N 0.77 0.30 -0.39 0.00 5.03 -0.81 -2.17 117.51 120.23 2cpt h ILE 19 Ca 0.19 -0.43 0.08 0.00 -0.12 0.00 0.00 64.86 64.58 2cpt h ILE 19 Cb 0.11 0.43 -0.08 0.00 -3.03 0.00 0.00 36.82 34.26 2cpt h ILE 19 CO -0.02 0.05 -0.13 -0.78 -0.68 0.00 0.00 178.15 176.59 2cpt h ASP 20 N -1.03 -0.45 0.20 1.72 3.58 -1.13 -1.17 116.42 118.14 2cpt h ASP 20 Ca -0.07 0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.52 2cpt h ASP 20 Cb 0.62 0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.90 2cpt h ASP 20 CO 0.12 -0.16 -0.45 -0.07 -2.88 0.00 0.00 179.24 175.79 2cpt h LEU 21 N -0.04 -1.32 -0.65 2.28 3.38 -1.12 -1.54 115.31 116.31 2cpt h LEU 21 Ca 0.19 0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.43 2cpt h LEU 21 Cb 0.33 0.48 -0.11 0.00 0.09 0.00 0.00 40.66 41.45 2cpt h LEU 21 CO -0.42 -0.54 0.02 0.00 0.09 0.00 0.00 178.44 177.59 2cpt h ALA 22 N -0.37 0.66 -0.18 1.53 0.00 -0.97 -1.21 119.26 118.72 2cpt h ALA 22 Ca -0.00 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2cpt h ALA 22 Cb 0.73 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2cpt h ALA 22 CO -0.21 -0.39 -0.16 1.03 0.00 0.00 0.00 179.25 179.52 2cpt h SER 23 N 0.13 -0.51 -0.59 0.00 0.87 -0.66 -2.09 113.55 110.71 2cpt h SER 23 Ca 0.34 0.10 0.12 0.00 -1.23 0.00 0.00 61.79 61.12 2cpt h SER 23 Cb 0.56 0.25 -0.09 0.00 -0.44 0.00 0.00 62.40 62.68 2cpt h SER 23 CO -0.54 -0.20 0.07 0.50 -0.53 0.00 0.00 176.83 176.12 2cpt h LYS 24 N -0.18 0.18 -0.69 2.24 3.64 -0.24 -2.57 116.57 118.96 2cpt h LYS 24 Ca 0.11 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2cpt h LYS 24 Cb 0.34 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 2cpt h LYS 24 CO -0.29 0.12 -0.41 0.00 -2.27 0.00 0.00 179.45 176.61 2cpt n ALA 25 N -2.67 -0.44 0.04 5.00 0.00 -0.79 -1.40 120.51 120.26 2cpt n ALA 25 Ca 0.08 0.58 -0.14 0.00 0.00 0.00 0.00 53.44 53.97 2cpt n ALA 25 Cb 0.33 0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 2cpt n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cpt h ALA 26 N 0.09 -0.90 -0.88 0.00 0.00 -1.47 -1.49 119.26 114.61 2cpt h ALA 26 Ca 0.11 -0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.17 2cpt h ALA 26 Cb 0.28 0.92 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 2cpt h ALA 26 CO -0.65 -1.04 -0.05 1.04 0.00 0.00 0.00 179.25 178.55 2cpt n GLN 27 N -5.13 -0.07 0.08 0.00 6.02 -0.49 0.71 117.38 118.50 2cpt n GLN 27 Ca -0.06 1.33 -0.13 0.00 -0.01 0.00 0.00 57.00 58.13 2cpt n GLN 27 Cb 0.35 -2.08 -0.07 0.00 1.02 0.00 0.00 30.24 29.46 2cpt n GLN 27 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2cpt h GLU 28 N 0.00 -0.12 -0.10 -1.09 4.39 -0.28 -2.15 114.58 115.24 2cpt h GLU 28 Ca 0.50 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.24 2cpt h GLU 28 Cb 0.97 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.59 2cpt h GLU 28 CO -0.85 -0.05 -0.50 0.22 -1.16 0.00 0.00 179.01 176.67 2cpt h ASP 29 N -0.15 -1.59 -0.77 1.42 3.58 0.93 0.42 116.42 120.26 2cpt h ASP 29 Ca -0.01 0.19 0.16 0.00 0.42 0.00 0.00 57.03 57.79 2cpt h ASP 29 Cb 0.12 0.62 -0.11 0.00 1.72 0.00 0.00 39.33 41.68 2cpt h ASP 29 CO 0.02 -0.45 0.25 0.50 -2.88 0.00 0.00 179.24 176.68 2cpt h LYS 30 N -0.55 0.34 -0.62 0.28 3.64 -1.31 0.11 116.57 118.45 2cpt h LYS 30 Ca 0.03 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2cpt h LYS 30 Cb 0.64 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2cpt h LYS 30 CO -0.39 0.22 0.18 0.00 -2.27 0.00 0.00 179.45 177.19 2cpt h ALA 31 N 1.60 1.15 0.00 5.00 0.00 -0.55 -3.46 119.26 123.01 2cpt h ALA 31 Ca 0.44 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2cpt h ALA 31 Cb 0.74 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2cpt h ALA 31 CO -0.48 0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2cpt n GLY 32 N -0.85 1.40 3.12 0.00 0.00 0.11 -5.10 105.19 103.87 2cpt n GLY 32 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.40 4.81 -0.20 1.61 0.01 0.75 -4.95 114.94 115.58 2cpt s ASN 33 Ca 0.00 -1.52 -0.03 0.00 -0.71 0.00 0.00 52.86 50.59 2cpt s ASN 33 Cb 0.00 -1.67 -0.21 0.00 0.41 0.00 0.00 41.25 39.78 2cpt s ASN 33 CO 0.00 -0.30 0.05 -1.22 -1.51 0.00 0.00 177.10 174.12 2cpt n TYR 34 N 4.52 0.61 -0.35 2.20 4.02 -1.26 -2.98 117.16 123.91 2cpt n TYR 34 Ca -0.10 0.13 -0.01 0.00 -0.01 0.00 0.00 57.90 57.91 2cpt n TYR 34 Cb 0.43 -1.08 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 1.49 -1.01 0.00 0.00 176.86 177.34 2cpt h GLU 35 N -0.04 1.19 0.00 -0.72 4.81 -1.92 -0.61 114.58 117.30 2cpt h GLU 35 Ca -0.51 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 58.54 2cpt h GLU 35 Cb 1.93 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 31.05 2cpt h GLU 35 CO -0.03 0.79 -0.44 1.49 -0.73 0.00 0.00 179.01 180.09 2cpt h GLU 36 N 1.23 0.29 -0.85 1.92 4.57 -1.99 -3.19 114.58 116.56 2cpt h GLU 36 Ca 0.36 -0.32 0.10 0.00 -1.18 0.00 0.00 59.36 58.33 2cpt h GLU 36 Cb -0.06 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 28.55 2cpt h GLU 36 CO -0.10 1.03 0.49 0.00 -1.18 0.00 0.00 179.01 179.25 2cpt h ALA 37 N 0.28 1.24 0.54 2.92 0.00 -1.49 -2.12 119.26 120.63 2cpt h ALA 37 Ca -0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2cpt h ALA 37 Cb 1.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2cpt h ALA 37 CO 0.09 0.10 -0.34 1.25 0.00 0.00 0.00 179.25 180.35 2cpt h LEU 38 N 0.80 -0.86 -0.80 0.00 5.85 -1.18 0.90 115.31 120.03 2cpt h LEU 38 Ca 0.42 0.05 0.19 0.00 0.84 0.00 0.00 57.88 59.37 2cpt h LEU 38 Cb 0.41 0.25 -0.14 0.00 0.37 0.00 0.00 40.66 41.55 2cpt h LEU 38 CO -0.26 -0.51 -0.02 1.56 -0.34 0.00 0.00 178.44 178.86 2cpt h GLN 39 N -0.82 0.07 0.08 1.25 1.08 -1.49 0.55 115.11 115.83 2cpt h GLN 39 Ca -0.07 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2cpt h GLN 39 Cb 0.66 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 2cpt h GLN 39 CO 0.07 0.05 -0.04 -0.07 -0.95 0.00 0.00 178.83 177.89 2cpt h LEU 40 N 0.08 -0.09 -0.65 1.46 3.38 -1.20 -1.14 115.31 117.16 2cpt h LEU 40 Ca 0.44 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.49 2cpt h LEU 40 Cb 0.78 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 2cpt h LEU 40 CO -0.73 -0.03 0.22 1.88 0.09 0.00 0.00 178.44 179.87 2cpt h TYR 41 N -0.14 0.38 -0.33 1.13 0.05 0.12 0.11 116.97 118.30 2cpt h TYR 41 Ca -0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 2cpt h TYR 41 Cb 0.11 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2cpt h TYR 41 CO -0.06 0.06 0.15 1.96 -1.05 0.00 0.00 178.16 179.21 2cpt h GLN 42 N 0.38 0.48 0.31 4.88 4.20 -0.81 -3.06 115.11 121.50 2cpt h GLN 42 Ca 0.34 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 2cpt h GLN 42 Cb 0.46 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2cpt h GLN 42 CO -0.35 0.46 -0.15 0.45 -0.67 0.00 0.00 178.83 178.57 2cpt h HIS 43 N 0.39 -0.39 -0.96 2.96 3.86 -0.26 -2.29 115.15 118.45 2cpt h HIS 43 Ca 0.11 -0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.49 2cpt h HIS 43 Cb 0.15 0.13 -0.18 0.00 1.06 0.00 0.00 27.41 28.57 2cpt h HIS 43 CO -0.01 -0.24 -0.28 0.00 0.86 0.00 0.00 177.93 178.26 2cpt h ALA 44 N 0.27 0.52 -0.22 2.45 0.00 -0.76 0.28 119.26 121.80 2cpt h ALA 44 Ca -0.04 0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2cpt h ALA 44 Cb 0.33 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2cpt h ALA 44 CO 0.07 -0.44 0.10 0.28 0.00 0.00 0.00 179.25 179.25 2cpt h VAL 45 N -0.00 1.15 -0.32 0.00 2.07 -1.41 -1.78 116.25 115.94 2cpt h VAL 45 Ca 0.43 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2cpt h VAL 45 Cb 0.68 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 2cpt h VAL 45 CO -0.98 0.15 -0.48 1.56 0.02 0.00 0.00 177.57 177.83 2cpt h GLN 46 N 0.22 -0.40 -0.08 1.57 1.08 0.10 0.81 115.11 118.41 2cpt h GLN 46 Ca 0.08 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2cpt h GLN 46 Cb 0.15 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2cpt h GLN 46 CO -0.01 -0.27 -0.01 1.88 -0.95 0.00 0.00 178.83 179.47 2cpt h TYR 47 N -0.41 -0.02 -0.44 2.96 -1.99 -1.25 -1.65 116.97 114.16 2cpt h TYR 47 Ca 0.09 0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.92 2cpt h TYR 47 Cb 0.61 0.02 -0.10 0.00 2.00 0.00 0.00 36.73 39.27 2cpt h TYR 47 CO -0.63 -0.02 -0.28 0.74 -0.00 0.00 0.00 178.16 177.98 2cpt h PHE 48 N 0.01 -0.74 0.68 4.88 0.04 -0.54 -1.28 116.94 120.00 2cpt h PHE 48 Ca 0.04 0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 2cpt h PHE 48 Cb 0.05 0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 2cpt h PHE 48 CO -0.13 -0.35 -0.43 -0.07 -0.60 0.00 0.00 178.31 176.73 2cpt h LEU 49 N -0.19 -1.10 -0.97 1.54 3.38 -0.65 -1.99 115.31 115.34 2cpt h LEU 49 Ca 0.20 0.06 0.30 0.00 0.09 0.00 0.00 57.88 58.53 2cpt h LEU 49 Cb 0.51 0.33 -0.17 0.00 0.09 0.00 0.00 40.66 41.41 2cpt h LEU 49 CO -0.55 -0.67 0.19 -0.74 0.09 0.00 0.00 178.44 176.77 2cpt h HIS 50 N -1.06 0.24 0.64 1.13 2.76 -0.83 0.36 115.15 118.40 2cpt h HIS 50 Ca -0.09 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 2cpt h HIS 50 Cb 0.86 0.05 0.01 0.00 1.55 0.00 0.00 27.41 29.88 2cpt h HIS 50 CO -0.11 -0.39 -0.31 0.28 -1.30 0.00 0.00 177.93 176.10 2cpt h VAL 51 N 0.06 0.00 -0.37 5.26 2.07 -0.88 -2.76 116.25 119.63 2cpt h VAL 51 Ca 0.64 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 68.16 2cpt h VAL 51 Cb 1.43 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2cpt h VAL 51 CO -0.83 0.00 0.42 0.58 0.02 0.00 0.00 177.57 177.76 2cpt h VAL 52 N -0.97 0.36 0.79 2.57 2.07 -0.43 1.59 116.25 122.23 2cpt h VAL 52 Ca -0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2cpt h VAL 52 Cb 0.66 0.66 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2cpt h VAL 52 CO 0.15 0.00 -0.38 0.50 0.02 0.00 0.00 177.57 177.86 2cpt h LYS 53 N 0.00 -1.02 0.00 1.57 3.11 -0.10 -3.32 116.57 116.82 2cpt h LYS 53 Ca 0.17 0.07 -0.21 0.00 -2.81 0.00 0.00 60.65 57.87 2cpt h LYS 53 Cb 1.01 0.23 -0.03 0.00 -1.00 0.00 0.00 32.23 32.44 2cpt h LYS 53 CO -0.00 -0.68 -1.72 0.66 -2.81 0.00 0.00 179.45 174.90 2cpt n TYR 54 N -5.39 0.00 -0.29 1.91 4.02 -0.82 -4.62 117.16 111.98 2cpt n TYR 54 Ca -0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.71 2cpt n TYR 54 Cb 0.42 -0.46 0.02 0.00 -0.02 0.00 0.00 39.34 39.29 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 -3.45 1.25 -1.22 -0.72 -0.58 0.52 -4.92 120.64 111.52 2cpt n GLU 55 Ca -0.25 -0.52 -0.29 0.00 -0.42 0.00 0.00 57.16 55.68 2cpt n GLU 55 Cb 0.69 -1.20 0.17 0.00 -0.57 0.00 0.00 31.44 30.52 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 -0.60 1.13 0.03 0.62 0.00 0.44 -4.35 121.76 119.03 2cpt s ALA 56 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2cpt s ALA 56 Cb 0.08 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2cpt s ALA 56 CO 0.00 -2.70 0.00 1.04 0.00 0.00 0.00 175.76 174.10 2cpt n GLN 57 N -4.09 0.00 -3.05 0.00 3.00 -1.26 -4.98 117.38 107.00 2cpt n GLN 57 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2cpt n GLN 57 Cb 0.57 -0.48 0.00 0.00 0.00 0.00 0.00 30.24 30.33 2cpt n GLN 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cpt n GLY 58 N 3.06 -1.24 0.17 1.08 0.00 -1.26 -4.99 105.19 102.01 2cpt n GLY 58 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 2cpt n GLY 58 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2cpt h ASP 59 N 0.00 0.50 -0.64 1.61 3.58 -2.01 0.21 116.42 119.66 2cpt h ASP 59 Ca 0.00 -0.38 0.06 0.00 0.42 0.00 0.00 57.03 57.13 2cpt h ASP 59 Cb 0.00 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 40.86 2cpt h ASP 59 CO 0.00 0.77 0.35 0.11 -2.88 0.00 0.00 179.24 177.59 2cpt h LYS 60 N 0.23 0.62 0.05 0.28 6.56 -2.00 -2.00 116.57 120.31 2cpt h LYS 60 Ca 0.06 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2cpt h LYS 60 Cb 0.56 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2cpt h LYS 60 CO 0.03 0.41 -0.02 0.00 -2.06 0.00 0.00 179.45 177.81 2cpt h ALA 61 N 1.34 -0.07 -0.86 3.86 0.00 -1.93 -3.07 119.26 118.54 2cpt h ALA 61 Ca 0.29 -0.31 0.14 0.00 0.00 0.00 0.00 54.91 55.03 2cpt h ALA 61 Cb 0.20 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.87 2cpt h ALA 61 CO -0.19 -0.18 -0.36 0.87 0.00 0.00 0.00 179.25 179.39 2cpt h LYS 62 N -0.79 -0.05 -0.72 0.00 1.57 -0.45 0.43 116.57 116.56 2cpt h LYS 62 Ca -0.01 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2cpt h LYS 62 Cb 0.65 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 2cpt h LYS 62 CO 0.01 -0.03 0.45 -0.56 -0.57 0.00 0.00 179.45 178.75 2cpt h GLN 63 N -0.05 0.85 -0.11 3.15 3.07 -1.47 0.30 115.11 120.84 2cpt h GLN 63 Ca 0.31 -0.05 0.02 0.00 0.09 0.00 0.00 58.65 59.03 2cpt h GLN 63 Cb 0.59 -0.19 -0.02 0.00 0.08 0.00 0.00 27.48 27.93 2cpt h GLN 63 CO -0.88 0.56 -0.04 0.77 0.09 0.00 0.00 178.83 179.33 2cpt h SER 64 N 0.88 -0.14 0.46 0.06 0.02 -0.14 -1.26 113.55 113.42 2cpt h SER 64 Ca 0.29 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2cpt h SER 64 Cb 0.04 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2cpt h SER 64 CO -0.12 -0.05 -0.22 0.40 -1.14 0.00 0.00 176.83 175.70 2cpt h ILE 65 N -0.02 0.27 -0.87 3.27 2.04 -0.60 -3.26 117.51 118.35 2cpt h ILE 65 Ca 0.06 -0.55 0.10 0.00 1.00 0.00 0.00 64.86 65.47 2cpt h ILE 65 Cb 0.11 0.41 -0.13 0.00 -0.74 0.00 0.00 36.82 36.47 2cpt h ILE 65 CO -0.13 0.05 -0.50 0.03 0.00 0.00 0.00 178.15 177.61 2cpt h ARG 66 N -1.05 -0.08 -0.98 2.37 3.08 -0.41 0.34 114.38 117.65 2cpt h ARG 66 Ca -0.06 0.01 0.28 0.00 0.07 0.00 0.00 59.98 60.27 2cpt h ARG 66 Cb 0.56 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 30.45 2cpt h ARG 66 CO 0.10 -0.05 0.10 0.00 -1.07 0.00 0.00 179.97 179.05 2cpt h ALA 67 N 0.73 1.28 -0.56 0.04 0.00 -1.31 0.82 119.26 120.25 2cpt h ALA 67 Ca 0.21 0.32 -0.05 0.00 0.00 0.00 0.00 54.91 55.39 2cpt h ALA 67 Cb 0.51 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2cpt h ALA 67 CO -0.88 -0.60 0.14 0.87 0.00 0.00 0.00 179.25 178.78 2cpt h LYS 68 N 0.02 0.90 -0.61 0.00 6.56 -0.40 -1.94 116.57 121.11 2cpt h LYS 68 Ca 0.62 -0.21 0.10 0.00 -1.06 0.00 0.00 60.65 60.10 2cpt h LYS 68 Cb 1.32 -0.12 -0.08 0.00 -0.57 0.00 0.00 32.23 32.79 2cpt h LYS 68 CO -0.88 0.84 0.20 0.00 -2.06 0.00 0.00 179.45 177.55 2cpt h THR 70 N 0.36 1.28 0.63 0.00 2.02 -1.20 -0.27 112.91 115.73 2cpt h THR 70 Ca 0.32 -1.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 2cpt h THR 70 Cb 0.42 1.30 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2cpt h THR 70 CO -0.34 0.47 -0.30 -0.08 0.37 0.00 0.00 175.52 175.64 2cpt h GLU 71 N 0.71 -0.81 -0.60 6.66 4.57 -0.52 -1.18 114.58 123.42 2cpt h GLU 71 Ca 0.08 0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 2cpt h GLU 71 Cb 0.83 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.58 2cpt h GLU 71 CO 0.07 -0.52 0.30 1.88 -1.18 0.00 0.00 179.01 179.56 2cpt h TYR 72 N -0.90 0.84 -0.64 0.92 0.05 -0.80 -2.05 116.97 114.40 2cpt h TYR 72 Ca -0.09 -0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.74 2cpt h TYR 72 Cb 0.67 -0.26 -0.07 0.00 1.01 0.00 0.00 36.73 38.08 2cpt h TYR 72 CO -0.02 0.63 0.30 -0.07 -1.05 0.00 0.00 178.16 177.95 2cpt h LEU 73 N 0.81 0.37 -0.75 3.88 3.38 -0.97 -1.06 115.31 120.98 2cpt h LEU 73 Ca 0.21 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 2cpt h LEU 73 Cb 0.09 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2cpt h LEU 73 CO -0.03 0.23 0.04 -0.78 0.09 0.00 0.00 178.44 177.99 2cpt h ASP 74 N 0.53 0.96 0.88 -0.43 1.82 -0.92 -2.50 116.42 116.76 2cpt h ASP 74 Ca 0.31 -0.24 -0.04 0.00 -0.39 0.00 0.00 57.03 56.66 2cpt h ASP 74 Cb 0.32 -0.26 0.01 0.00 0.68 0.00 0.00 39.33 40.08 2cpt h ASP 74 CO -0.26 1.00 -0.42 -0.09 -1.61 0.00 0.00 179.24 177.85 2cpt h ARG 75 N 0.93 -1.14 -0.59 0.28 9.65 -0.55 -3.03 114.38 119.92 2cpt h ARG 75 Ca 0.18 0.08 0.12 0.00 -1.10 0.00 0.00 59.98 59.25 2cpt h ARG 75 Cb 0.48 0.26 -0.09 0.00 -1.39 0.00 0.00 29.97 29.23 2cpt h ARG 75 CO 0.02 -0.76 0.08 0.00 2.80 0.00 0.00 179.97 182.11 2cpt h ALA 76 N -1.05 0.66 -0.86 2.80 0.00 -1.24 -2.48 119.26 117.09 2cpt h ALA 76 Ca -0.12 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2cpt h ALA 76 Cb 0.91 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 2cpt h ALA 76 CO 0.20 -0.34 -0.51 0.39 0.00 0.00 0.00 179.25 178.99 2cpt n GLU 77 N -5.18 -0.38 0.24 0.00 -0.58 -0.94 -1.22 120.64 112.58 2cpt n GLU 77 Ca 0.09 1.33 -0.17 0.00 -0.42 0.00 0.00 57.16 57.99 2cpt n GLU 77 Cb 0.33 -1.96 -0.09 0.00 -0.57 0.00 0.00 31.44 29.15 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 -0.86 -1.30 3.49 6.56 -1.44 -1.51 116.57 121.52 2cpt h LYS 78 Ca 0.14 0.06 0.40 0.00 -1.06 0.00 0.00 60.65 60.19 2cpt h LYS 78 Cb 0.35 0.20 -0.08 0.00 -0.57 0.00 0.00 32.23 32.13 2cpt h LYS 78 CO -0.81 -0.57 0.91 1.28 -2.06 0.00 0.00 179.45 178.19 2cpt n LEU 79 N -5.26 0.06 0.10 2.94 4.77 -0.36 0.13 117.00 119.39 2cpt n LEU 79 Ca -0.11 0.85 -0.10 0.00 -0.03 0.00 0.00 56.01 56.62 2cpt n LEU 79 Cb 0.42 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2cpt n LEU 79 CO 0.23 -0.88 0.37 0.11 -1.33 0.00 0.00 177.39 175.88 2cpt h LYS 80 N 0.00 -0.32 -0.63 3.23 1.57 -0.61 -1.49 116.57 118.33 2cpt h LYS 80 Ca 0.68 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.66 2cpt h LYS 80 Cb 2.54 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 34.90 2cpt h LYS 80 CO -0.14 0.03 0.45 1.05 -0.57 0.00 0.00 179.45 180.28 2cpt h GLU 81 N -0.93 0.00 0.03 3.15 4.11 0.12 -0.12 114.58 120.94 2cpt h GLU 81 Ca -0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.30 2cpt h GLU 81 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2cpt h GLU 81 CO 0.06 0.00 -0.39 -0.92 0.07 0.00 0.00 179.01 177.82 2cpt h TYR 82 N 0.00 0.33 -0.77 2.06 3.20 -1.26 -2.14 116.97 118.38 2cpt h TYR 82 Ca 0.30 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2cpt h TYR 82 Cb 1.20 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 2cpt h TYR 82 CO 0.00 1.07 0.50 -0.07 -1.64 0.00 0.00 178.16 178.02 2cpt h LEU 83 N -0.50 0.89 -0.24 2.82 3.38 -0.14 0.25 115.31 121.77 2cpt h LEU 83 Ca -0.06 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2cpt h LEU 83 Cb 1.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2cpt h LEU 83 CO 0.08 0.66 -0.24 0.07 0.09 0.00 0.00 178.44 179.10 2cpt h LYS 84 N 1.05 0.00 0.00 1.13 2.10 -1.15 -0.81 116.57 118.89 2cpt h LYS 84 Ca 0.28 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.88 2cpt h LYS 84 Cb -0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.22 2cpt h LYS 84 CO -0.06 0.24 -0.54 -0.97 -2.00 0.00 0.00 179.45 176.12 2cpt h ASN 85 N 0.00 0.00 0.01 7.07 -1.24 -0.55 -3.36 115.58 117.51 2cpt h ASN 85 Ca -0.00 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.66 2cpt h ASN 85 Cb 1.10 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.09 2cpt h ASN 85 CO 0.03 0.21 -1.94 2.29 -1.29 0.00 0.00 177.43 176.73 2cpt n LYS 86 N -3.02 0.60 -0.89 6.67 2.85 -0.04 -4.98 118.16 119.36 2cpt n LYS 86 Ca 0.01 0.39 -0.35 0.00 -1.05 0.00 0.00 58.31 57.30 2cpt n LYS 86 Cb 0.63 -1.62 0.08 0.00 -0.65 0.00 0.00 35.03 33.47 2cpt n LYS 86 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2cpt n GLU 87 N -4.19 -0.43 -2.35 -1.58 0.28 -0.32 -4.86 120.64 107.20 2cpt n GLU 87 Ca -0.42 -0.11 -0.41 0.00 -0.16 0.00 0.00 57.16 56.05 2cpt n GLU 87 Cb 0.82 -1.32 -0.03 0.00 1.43 0.00 0.00 31.44 32.33 2cpt n GLU 87 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2cpt s LYS 88 N -2.64 4.48 -0.11 3.44 2.20 -1.26 -4.97 119.74 120.88 2cpt s LYS 88 Ca 0.46 1.91 -0.19 0.00 -0.36 0.00 0.00 55.97 57.78 2cpt s LYS 88 Cb -0.08 -3.22 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 2cpt s LYS 88 CO 0.71 -0.09 0.47 -1.59 -0.36 0.00 0.00 175.35 174.49 2cpt s LYS 89 N -0.39 0.69 -0.48 4.03 0.00 -1.26 -5.12 119.74 117.21 2cpt s LYS 89 Ca 0.52 0.34 0.03 0.00 0.00 0.00 0.00 55.97 56.86 2cpt s LYS 89 Cb -0.33 0.32 0.14 0.00 0.00 0.00 0.00 37.83 37.96 2cpt s LYS 89 CO 0.38 -0.15 0.28 0.00 0.00 0.00 0.00 175.35 175.86 2cpt s ALA 90 N -0.48 2.39 0.03 0.59 0.00 -1.26 -5.09 121.76 117.94 2cpt s ALA 90 Ca -0.06 -2.80 -0.20 0.00 0.00 0.00 0.00 51.96 48.90 2cpt s ALA 90 Cb -0.03 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.21 2cpt s ALA 90 CO 0.03 -2.06 0.46 -0.65 0.00 0.00 0.00 175.76 173.55 2cpt s GLN 91 N 0.04 0.95 0.36 0.00 -1.52 -1.26 -5.15 119.66 113.07 2cpt s GLN 91 Ca 0.20 -0.24 -0.26 0.00 -1.95 0.00 0.00 55.36 53.11 2cpt s GLN 91 Cb -0.19 0.43 -0.09 0.00 -0.22 0.00 0.00 33.01 32.94 2cpt s GLN 91 CO -0.04 -0.32 1.12 0.15 -0.25 0.00 0.00 175.29 175.95 2cpt s LYS 92 N -2.22 4.27 0.60 2.91 1.02 -1.26 -5.02 119.74 120.05 2cpt s LYS 92 Ca -0.07 1.74 -0.17 0.00 0.02 0.00 0.00 55.97 57.50 2cpt s LYS 92 Cb -0.01 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 2cpt s LYS 92 CO -0.00 -0.10 1.12 -1.25 -0.92 0.00 0.00 175.35 174.19 2cpt s PRO 93 N -2.09 3.06 -0.11 -1.68 0.04 -1.26 -5.05 135.00 127.92 2cpt s PRO 93 Ca 0.53 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 2cpt s PRO 93 Cb -0.29 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 2cpt s PRO 93 CO 0.36 -1.06 -0.01 0.54 0.04 0.00 0.00 177.00 176.88 2cpt s VAL 94 N -2.07 4.23 0.11 -0.36 0.11 -1.26 -5.07 120.40 116.10 2cpt s VAL 94 Ca 0.70 -0.26 -0.31 0.00 -2.93 0.00 0.00 61.98 59.18 2cpt s VAL 94 Cb -0.22 -2.81 -0.10 0.00 -1.53 0.00 0.00 36.38 31.72 2cpt s VAL 94 CO 0.35 0.56 1.81 -0.54 -3.33 0.00 0.00 175.10 173.94 2cpt s LYS 95 N -0.44 4.15 0.07 1.54 -0.14 -1.26 -4.91 119.74 118.76 2cpt s LYS 95 Ca 0.08 2.55 -0.25 0.00 -1.36 0.00 0.00 55.97 56.99 2cpt s LYS 95 Cb -0.12 -3.61 -0.16 0.00 -1.68 0.00 0.00 37.83 32.26 2cpt s LYS 95 CO 0.02 -0.83 1.66 1.49 -0.76 0.00 0.00 175.35 176.93 2cpt h GLU 96 N 8.61 -0.21 0.00 1.68 4.81 -2.06 -3.49 114.58 123.92 2cpt h GLU 96 Ca -0.46 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2cpt h GLU 96 Cb 1.22 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2cpt h GLU 96 CO 0.95 -0.10 0.00 0.41 -0.73 0.00 0.00 179.01 179.54 2cpt n GLY 97 N -1.05 4.43 3.51 1.92 0.00 -1.26 -5.14 105.19 107.59 2cpt n GLY 97 Ca -0.09 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 2cpt n GLY 97 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2cpt s GLN 98 N -3.24 1.84 1.23 1.61 -2.07 -1.26 -5.14 119.66 112.63 2cpt s GLN 98 Ca 0.00 -1.28 -0.20 0.00 -1.82 0.00 0.00 55.36 52.06 2cpt s GLN 98 Cb 0.00 -2.08 0.30 0.00 -1.09 0.00 0.00 33.01 30.14 2cpt s GLN 98 CO 0.00 0.45 1.11 -1.25 -1.32 0.00 0.00 175.29 174.28 2cpt s PRO 99 N -2.50 -1.44 -0.13 9.60 0.04 -1.26 -5.10 135.00 134.22 2cpt s PRO 99 Ca 0.21 -0.14 -0.30 0.00 0.04 0.00 0.00 61.00 60.81 2cpt s PRO 99 Cb -0.09 -1.58 0.12 0.00 0.04 0.00 0.00 34.50 32.99 2cpt s PRO 99 CO 0.12 -3.84 0.98 -1.54 0.04 0.00 0.00 177.00 172.76 2cpt s SER 100 N -3.95 -0.36 0.91 6.66 1.04 -1.26 -5.17 113.70 111.57 2cpt s SER 100 Ca 0.72 0.29 -0.12 0.00 0.48 0.00 0.00 55.95 57.32 2cpt s SER 100 Cb -0.08 0.31 0.14 0.00 0.10 0.00 0.00 66.02 66.48 2cpt s SER 100 CO 0.56 -0.40 1.09 -2.16 0.98 0.00 0.00 173.24 173.31 2cpt s PRO 101 N -1.62 1.15 -0.28 4.02 0.04 -1.26 -5.00 135.00 132.04 2cpt s PRO 101 Ca 0.00 0.79 0.12 0.00 0.04 0.00 0.00 61.00 61.94 2cpt s PRO 101 Cb -0.01 -1.80 0.47 0.00 0.04 0.00 0.00 34.50 33.21 2cpt s PRO 101 CO -0.01 -2.31 1.17 0.00 0.04 0.00 0.00 177.00 175.89 2cpt n ALA 102 N -3.92 4.33 -3.76 8.56 0.00 -1.26 -4.96 120.51 119.49 2cpt n ALA 102 Ca 0.07 -3.50 -0.24 0.00 0.00 0.00 0.00 53.44 49.77 2cpt n ALA 102 Cb 0.55 -0.48 0.03 0.00 0.00 0.00 0.00 19.45 19.55 2cpt n ALA 102 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2cpt n ASP 103 N -0.68 -2.15 -3.62 0.00 2.03 -1.26 -4.97 116.55 105.90 2cpt n ASP 103 Ca 0.33 -0.81 -0.11 0.00 0.52 0.00 0.00 54.79 54.72 2cpt n ASP 103 Cb 0.92 -3.99 -0.07 0.00 -0.72 0.00 0.00 41.12 37.26 2cpt n ASP 103 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2cpt s GLU 104 N -6.17 0.63 -0.16 -0.67 2.12 -1.26 -5.15 118.70 108.03 2cpt s GLU 104 Ca 0.18 0.62 -0.04 0.00 0.36 0.00 0.00 54.97 56.09 2cpt s GLU 104 Cb -0.09 0.30 0.06 0.00 0.26 0.00 0.00 34.13 34.66 2cpt s GLU 104 CO 0.82 -0.10 0.08 0.21 -0.54 0.00 0.00 175.26 175.72 2cpt s LYS 105 N 0.02 0.18 0.38 4.30 2.20 -1.26 -5.06 119.74 120.50 2cpt s LYS 105 Ca 0.01 -0.11 -0.13 0.00 -0.36 0.00 0.00 55.97 55.38 2cpt s LYS 105 Cb -0.04 -1.76 -0.08 0.00 -1.51 0.00 0.00 37.83 34.44 2cpt s LYS 105 CO -0.03 -0.63 0.78 0.20 -0.36 0.00 0.00 175.35 175.32 2cpt s GLY 106 N 2.08 2.12 0.71 5.54 0.00 -1.26 -5.06 107.32 111.44 2cpt s GLY 106 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 44.72 44.57 2cpt s GLY 106 CO -0.08 0.15 1.06 -1.31 0.00 0.00 0.00 173.10 172.92 2cpt s ASN 107 N -2.78 5.28 0.00 1.64 -0.87 -1.26 -5.01 114.94 111.94 2cpt s ASN 107 Ca 0.53 1.58 0.00 0.00 -1.57 0.00 0.00 52.86 53.40 2cpt s ASN 107 Cb -0.10 -2.44 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 2cpt s ASN 107 CO 0.25 -1.50 0.00 0.47 -2.57 0.00 0.00 177.10 173.75 2cpt n ASP 108 N -3.16 0.22 -4.69 -1.22 9.92 -1.26 -5.05 116.55 111.31 2cpt n ASP 108 Ca 0.07 0.00 -0.44 0.00 -0.53 0.00 0.00 54.79 53.89 2cpt n ASP 108 Cb 0.54 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.98 2cpt n ASP 108 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2cpt n SER 109 N -2.78 3.45 -0.06 -2.24 2.88 -1.26 -4.92 113.62 108.69 2cpt n SER 109 Ca 0.00 1.07 -0.07 0.00 -1.33 0.00 0.00 58.87 58.55 2cpt n SER 109 Cb 0.34 -1.49 -0.02 0.00 -0.75 0.00 0.00 64.21 62.29 2cpt n SER 109 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2cpt n ASP 110 N 3.63 1.60 0.00 -3.46 8.00 -1.26 -5.11 116.55 119.95 2cpt n ASP 110 Ca 0.17 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.93 2cpt n ASP 110 Cb 0.31 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 2cpt n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cpt n GLY 111 N 1.81 0.85 3.61 0.44 0.00 -1.26 -5.09 105.19 105.54 2cpt n GLY 111 Ca -0.10 -0.22 -0.62 0.00 0.00 0.00 0.00 46.02 45.07 2cpt n GLY 111 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cpt n SER 112 N 0.00 1.49 0.00 1.61 2.88 -1.26 -4.87 113.62 113.47 2cpt n SER 112 Ca 0.00 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 2cpt n SER 112 Cb 0.00 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 2cpt n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cpt n GLY 113 N 5.00 1.63 0.00 0.46 0.00 -1.26 -4.99 105.19 106.04 2cpt n GLY 113 Ca 0.36 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.21 0.49 -3.08 1.61 -0.04 -1.26 -4.52 135.00 127.99 2cpt n PRO 114 Ca 0.00 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.01 2cpt n PRO 114 Cb 0.00 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.02 2cpt n PRO 114 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cpt s SER 115 N -1.90 6.27 0.01 3.54 1.04 -1.26 -5.01 113.70 116.39 2cpt s SER 115 Ca 0.19 -1.54 0.01 0.00 0.48 0.00 0.00 55.95 55.08 2cpt s SER 115 Cb 0.09 -2.32 -0.01 0.00 0.10 0.00 0.00 66.02 63.88 2cpt s SER 115 CO 0.14 -1.11 -0.03 -0.94 0.98 0.00 0.00 173.24 172.28 2cpt s SER 116 N 3.54 0.34 0.00 7.02 1.04 -1.26 -5.11 113.70 119.26 2cpt s SER 116 Ca 0.15 -0.26 0.10 0.00 0.48 0.00 0.00 55.95 56.43 2cpt s SER 116 Cb -0.20 0.02 0.62 0.00 0.10 0.00 0.00 66.02 66.56 2cpt s SER 116 CO 0.04 -0.11 1.06 0.61 0.98 0.00 0.00 173.24 175.82