#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afj s THR 2 N 0.00 -0.44 0.21 0.00 -4.23 -1.25 -1.63 115.64 108.29 1afj s THR 2 Ca 0.00 -0.97 0.11 0.00 -1.18 0.00 0.00 61.69 59.65 1afj s THR 2 Cb 0.00 -0.54 -0.05 0.00 1.34 0.00 0.00 72.50 73.25 1afj s THR 2 CO 0.00 -0.49 -0.22 -1.10 -0.54 0.00 0.00 174.62 172.27 1afj s GLN 3 N 1.32 1.51 0.01 3.99 -1.52 -0.00 -4.84 119.66 120.14 1afj s GLN 3 Ca 0.19 -1.56 0.02 0.00 -1.95 0.00 0.00 55.36 52.06 1afj s GLN 3 Cb -0.11 -1.73 -0.01 0.00 -0.22 0.00 0.00 33.01 30.94 1afj s GLN 3 CO -0.05 0.36 -0.06 -0.08 -0.25 0.00 0.00 175.29 175.21 1afj s THR 4 N -1.95 0.42 0.30 -0.19 -1.32 -1.26 -0.43 115.64 111.21 1afj s THR 4 Ca 0.22 -0.57 0.03 0.00 -1.21 0.00 0.00 61.69 60.17 1afj s THR 4 Cb -0.07 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.46 1afj s THR 4 CO 0.10 -0.11 0.16 0.68 -2.21 0.00 0.00 174.62 173.25 1afj s VAL 5 N -0.65 0.28 0.15 5.08 -7.23 0.07 -4.89 120.40 113.20 1afj s VAL 5 Ca -0.03 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.19 1afj s VAL 5 Cb -0.05 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1afj s VAL 5 CO 0.00 0.00 0.06 0.28 -0.31 0.00 0.00 175.10 175.13 1afj s THR 6 N -3.65 4.14 0.08 5.32 -1.32 -1.26 -1.09 115.64 117.87 1afj s THR 6 Ca 0.36 -1.15 0.05 0.00 -1.21 0.00 0.00 61.69 59.74 1afj s THR 6 Cb 0.05 -3.07 -0.03 0.00 -1.51 0.00 0.00 72.50 67.94 1afj s THR 6 CO 0.18 -0.05 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.64 1afj s LEU 7 N -2.84 2.29 -0.22 9.08 1.02 0.31 -1.71 118.68 126.61 1afj s LEU 7 Ca 0.29 -0.63 0.01 0.00 0.02 0.00 0.00 54.13 53.81 1afj s LEU 7 Cb -0.10 -0.53 0.03 0.00 0.02 0.00 0.00 46.19 45.61 1afj s LEU 7 CO 0.21 -0.08 -0.13 0.00 0.02 0.00 0.00 176.35 176.37 1afj s ALA 8 N -1.32 2.52 -0.87 4.21 0.00 -0.52 -1.20 121.76 124.58 1afj s ALA 8 Ca -0.01 -1.44 -0.00 0.00 0.00 0.00 0.00 51.96 50.51 1afj s ALA 8 Cb -0.10 -1.46 0.24 0.00 0.00 0.00 0.00 23.12 21.80 1afj s ALA 8 CO 0.02 -0.72 0.90 0.28 0.00 0.00 0.00 175.76 176.24 1afj n VAL 9 N 4.59 3.26 0.24 0.00 0.31 -1.26 -0.65 118.33 124.82 1afj n VAL 9 Ca -0.18 -5.28 0.12 0.00 -0.01 0.00 0.00 64.34 59.00 1afj n VAL 9 Cb 0.47 -2.26 0.61 0.00 -0.91 0.00 0.00 33.84 31.75 1afj n VAL 9 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1afj h PRO 10 N 5.48 0.00 -0.08 5.55 0.13 -1.91 -2.40 132.00 138.77 1afj h PRO 10 Ca 0.18 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.33 1afj h PRO 10 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1afj h PRO 10 CO 0.94 0.00 0.23 0.78 -0.23 0.00 0.00 178.00 179.72 1afj h GLY 11 N 0.63 0.00 -0.77 1.56 0.00 -1.87 -3.43 103.07 99.19 1afj h GLY 11 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1afj h GLY 11 CO 0.00 0.00 -0.13 1.03 0.00 0.00 0.00 176.54 177.44 1afj n MET 12 N -3.21 0.27 0.00 4.80 2.81 -0.90 -4.94 117.12 115.95 1afj n MET 12 Ca -0.01 -1.41 0.00 0.00 -1.81 0.00 0.00 57.70 54.47 1afj n MET 12 Cb 0.32 1.26 0.00 0.00 -0.71 0.00 0.00 33.22 34.09 1afj n MET 12 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1afj n THR 13 N -0.28 0.00 -4.02 2.03 5.66 -1.26 -4.87 114.28 111.53 1afj n THR 13 Ca 0.02 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.05 1afj n THR 13 Cb 0.28 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.07 1afj n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1afj n ALA 15 N -1.26 4.33 0.00 0.00 0.00 -1.07 -3.41 120.51 119.10 1afj n ALA 15 Ca -0.09 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.53 1afj n ALA 15 Cb 0.50 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.37 1afj n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afj n ALA 16 N 7.60 0.00 -0.11 0.00 0.00 -1.26 -5.02 120.51 121.72 1afj n ALA 16 Ca 0.50 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.71 1afj n ALA 16 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 1afj n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afj h PRO 18 N -0.49 1.05 -0.41 0.00 0.11 -1.84 0.16 132.00 130.59 1afj h PRO 18 Ca -0.56 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.44 1afj h PRO 18 Cb 1.73 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.58 1afj h PRO 18 CO -0.20 0.70 0.06 0.97 -0.21 0.00 0.00 178.00 179.32 1afj h ILE 19 N 1.08 1.20 0.00 4.15 2.10 -1.78 0.19 117.51 124.45 1afj h ILE 19 Ca 0.33 -0.75 -0.00 0.00 1.08 0.00 0.00 64.86 65.51 1afj h ILE 19 Cb -0.03 0.83 -0.00 0.00 -1.09 0.00 0.00 36.82 36.53 1afj h ILE 19 CO -0.09 0.27 -0.01 0.74 -1.08 0.00 0.00 178.15 177.98 1afj h THR 20 N 0.60 0.08 -0.04 2.19 2.02 -0.77 0.11 112.91 117.11 1afj h THR 20 Ca 0.13 -0.16 -0.17 0.00 0.77 0.00 0.00 66.41 66.99 1afj h THR 20 Cb 0.29 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1afj h THR 20 CO 0.00 0.01 -0.72 0.58 0.37 0.00 0.00 175.52 175.76 1afj h VAL 21 N 0.00 1.44 -0.44 3.16 2.07 -0.40 -2.41 116.25 119.67 1afj h VAL 21 Ca -0.00 -2.27 -0.06 0.00 0.82 0.00 0.00 66.70 65.18 1afj h VAL 21 Cb 0.14 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1afj h VAL 21 CO 0.00 0.67 0.02 0.50 0.02 0.00 0.00 177.57 178.77 1afj h LYS 22 N 0.14 0.70 -0.46 1.57 3.64 -0.73 -1.69 116.57 119.75 1afj h LYS 22 Ca -0.02 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.09 1afj h LYS 22 Cb 1.28 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1afj h LYS 22 CO 0.11 0.71 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.68 1afj h LYS 23 N 0.67 0.81 0.74 1.90 3.11 -1.26 -0.27 116.57 122.27 1afj h LYS 23 Ca 0.14 -0.27 -0.03 0.00 -2.81 0.00 0.00 60.65 57.68 1afj h LYS 23 Cb 0.39 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1afj h LYS 23 CO 0.01 0.88 -0.48 0.00 -2.81 0.00 0.00 179.45 177.05 1afj h ALA 24 N 1.15 -1.22 0.00 5.00 0.00 -0.83 -1.72 119.26 121.65 1afj h ALA 24 Ca 0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1afj h ALA 24 Cb 0.58 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1afj h ALA 24 CO 0.04 -1.20 -0.18 -0.07 0.00 0.00 0.00 179.25 177.83 1afj h LEU 25 N -1.16 0.00 -1.98 0.00 4.07 -1.44 0.94 115.31 115.75 1afj h LEU 25 Ca -0.10 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 1afj h LEU 25 Cb 0.94 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.67 1afj h LEU 25 CO 0.08 0.18 -0.11 -1.28 -1.08 0.00 0.00 178.44 176.23 1afj h SER 26 N 0.00 0.00 0.00 -0.43 0.87 -0.41 -2.91 113.55 110.67 1afj h SER 26 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1afj h SER 26 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1afj h SER 26 CO 0.02 0.11 0.00 2.29 -0.53 0.00 0.00 176.83 178.72 1afj n LYS 27 N -3.79 1.35 -0.16 2.24 0.00 -0.47 -4.80 118.16 112.52 1afj n LYS 27 Ca -0.02 -0.97 -0.03 0.00 -0.00 0.00 0.00 58.31 57.29 1afj n LYS 27 Cb 0.21 -0.85 0.04 0.00 -0.00 0.00 0.00 35.03 34.42 1afj n LYS 27 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1afj h VAL 28 N 0.73 0.49 0.00 0.58 3.04 0.11 -3.47 116.25 117.73 1afj h VAL 28 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1afj h VAL 28 Cb 0.51 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1afj h VAL 28 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.94 1afj n GLU 29 N -5.36 0.00 -0.02 4.17 -0.58 -1.26 -4.93 120.64 112.66 1afj n GLU 29 Ca 0.05 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.92 1afj n GLU 29 Cb 0.27 0.00 0.64 0.00 -0.57 0.00 0.00 31.44 31.78 1afj n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1afj n GLY 30 N 0.00 -0.53 3.54 0.62 0.00 -1.26 -4.92 105.19 102.64 1afj n GLY 30 Ca 0.00 -0.27 -0.55 0.00 0.00 0.00 0.00 46.02 45.20 1afj n GLY 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1afj n VAL 31 N -0.43 0.24 0.21 1.61 3.14 -1.26 -2.61 118.33 119.23 1afj n VAL 31 Ca 0.19 -0.06 0.05 0.00 -2.96 0.00 0.00 64.34 61.56 1afj n VAL 31 Cb 0.19 -0.40 -0.07 0.00 -1.06 0.00 0.00 33.84 32.51 1afj n VAL 31 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1afj n SER 32 N 1.96 1.65 -3.47 6.55 7.64 -0.47 -4.87 113.62 122.61 1afj n SER 32 Ca 0.19 -0.34 -0.10 0.00 1.01 0.00 0.00 58.87 59.63 1afj n SER 32 Cb 0.15 1.26 -0.02 0.00 -1.01 0.00 0.00 64.21 64.59 1afj n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1afj s LYS 33 N -2.36 1.01 0.01 1.43 2.20 -1.03 -4.95 119.74 116.05 1afj s LYS 33 Ca -0.00 -0.37 -0.16 0.00 -0.36 0.00 0.00 55.97 55.07 1afj s LYS 33 Cb 0.07 0.46 0.03 0.00 -1.51 0.00 0.00 37.83 36.88 1afj s LYS 33 CO 0.42 -0.44 0.35 0.08 -0.36 0.00 0.00 175.35 175.40 1afj s VAL 34 N -3.37 0.06 -0.32 4.02 1.01 -1.26 -1.80 120.40 118.74 1afj s VAL 34 Ca 0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1afj s VAL 34 Cb -0.01 -0.78 0.19 0.00 0.00 0.00 0.00 36.38 35.78 1afj s VAL 34 CO -0.10 -0.27 0.89 -0.62 0.00 0.00 0.00 175.10 175.00 1afj s ASP 35 N -1.61 -0.81 0.00 3.32 2.15 0.41 -4.98 116.67 115.15 1afj s ASP 35 Ca -0.10 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 52.79 1afj s ASP 35 Cb -0.03 1.32 0.00 0.00 -0.30 0.00 0.00 42.92 43.91 1afj s ASP 35 CO 0.02 -0.13 0.00 1.33 -0.17 0.00 0.00 175.17 176.22 1afj n VAL 36 N 4.74 0.00 -3.50 1.11 0.24 -1.26 -1.07 118.33 118.59 1afj n VAL 36 Ca 0.08 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.19 1afj n VAL 36 Cb 0.58 -0.26 -0.13 0.00 -1.47 0.00 0.00 33.84 32.56 1afj n VAL 36 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1afj s GLY 37 N -0.26 0.02 -1.22 7.63 0.00 0.49 -4.84 107.32 109.14 1afj s GLY 37 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 44.72 44.83 1afj s GLY 37 CO 0.00 2.15 2.90 1.97 0.00 0.00 0.00 173.10 180.12 1afj n PHE 38 N 5.32 2.05 0.01 1.90 -1.74 -1.26 -2.94 117.46 120.79 1afj n PHE 38 Ca -0.05 -2.71 0.00 0.00 -0.56 0.00 0.00 57.45 54.13 1afj n PHE 38 Cb 0.49 -2.11 0.00 0.00 1.52 0.00 0.00 39.48 39.38 1afj n PHE 38 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1afj n GLU 39 N 2.74 0.00 0.00 3.97 0.00 -1.22 -2.61 120.64 123.52 1afj n GLU 39 Ca 0.67 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.94 1afj n GLU 39 Cb 0.36 0.00 0.66 0.00 0.00 0.00 0.00 31.44 32.46 1afj n GLU 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1afj n LYS 40 N -2.99 0.95 -2.76 5.31 4.81 -1.26 -3.94 118.16 118.29 1afj n LYS 40 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1afj n LYS 40 Cb 0.00 -1.37 0.01 0.00 0.02 0.00 0.00 35.03 33.69 1afj n LYS 40 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1afj n ARG 41 N -0.87 -2.86 -3.48 1.64 0.00 -1.15 -4.99 116.66 104.95 1afj n ARG 41 Ca 0.17 2.41 0.01 0.00 -0.00 0.00 0.00 57.85 60.43 1afj n ARG 41 Cb 0.08 -5.46 -0.04 0.00 0.00 0.00 0.00 32.46 27.03 1afj n ARG 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1afj s GLU 42 N -2.12 0.38 -0.23 -0.14 2.12 -1.16 -4.16 118.70 113.39 1afj s GLU 42 Ca 0.13 0.93 -0.03 0.00 0.36 0.00 0.00 54.97 56.36 1afj s GLU 42 Cb -0.04 0.55 0.01 0.00 0.26 0.00 0.00 34.13 34.91 1afj s GLU 42 CO 0.76 -0.13 -0.06 0.00 -0.54 0.00 0.00 175.26 175.30 1afj s ALA 43 N 2.53 2.74 -0.20 6.30 0.00 -0.34 0.18 121.76 132.97 1afj s ALA 43 Ca -0.04 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 1afj s ALA 43 Cb -0.08 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1afj s ALA 43 CO -0.18 -0.57 0.01 0.08 0.00 0.00 0.00 175.76 175.10 1afj s VAL 44 N 1.41 4.05 0.05 0.00 1.01 -0.24 0.12 120.40 126.80 1afj s VAL 44 Ca 0.04 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1afj s VAL 44 Cb -0.15 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1afj s VAL 44 CO -0.04 0.42 -0.10 0.54 0.00 0.00 0.00 175.10 175.92 1afj s VAL 45 N 1.03 0.70 0.23 2.92 0.11 -0.25 -0.44 120.40 124.70 1afj s VAL 45 Ca 0.02 -1.15 0.09 0.00 -2.93 0.00 0.00 61.98 58.01 1afj s VAL 45 Cb -0.14 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1afj s VAL 45 CO 0.02 -0.34 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.53 1afj s THR 46 N -1.37 3.44 0.07 5.04 2.01 -0.74 -0.75 115.64 123.34 1afj s THR 46 Ca -0.08 -1.76 -0.15 0.00 0.31 0.00 0.00 61.69 60.01 1afj s THR 46 Cb -0.10 -2.79 0.05 0.00 0.01 0.00 0.00 72.50 69.68 1afj s THR 46 CO 0.01 -0.26 0.70 2.22 -0.69 0.00 0.00 174.62 176.59 1afj n PHE 47 N -0.53 -0.79 -3.70 4.92 1.16 0.42 -1.36 117.46 117.57 1afj n PHE 47 Ca -0.08 -0.67 -0.38 0.00 -1.87 0.00 0.00 57.45 54.45 1afj n PHE 47 Cb 0.57 0.32 -0.12 0.00 -1.61 0.00 0.00 39.48 38.65 1afj n PHE 47 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1afj s ASP 48 N -2.61 5.37 0.01 5.98 -1.08 -1.07 -0.82 116.67 122.44 1afj s ASP 48 Ca 0.16 -0.77 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 1afj s ASP 48 Cb -0.01 -1.94 0.02 0.00 -1.46 0.00 0.00 42.92 39.53 1afj s ASP 48 CO 0.02 -0.25 1.01 -0.90 0.52 0.00 0.00 175.17 175.57 1afj n ASP 49 N 4.91 0.01 0.18 -0.34 5.75 -0.65 -1.45 116.55 124.96 1afj n ASP 49 Ca -0.14 0.50 0.03 0.00 -0.01 0.00 0.00 54.79 55.18 1afj n ASP 49 Cb 0.47 -0.50 0.32 0.00 -1.03 0.00 0.00 41.12 40.39 1afj n ASP 49 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1afj h THR 50 N 0.00 1.11 0.00 2.12 1.03 -1.93 -3.33 112.91 111.91 1afj h THR 50 Ca 0.00 -1.56 0.00 0.00 -0.01 0.00 0.00 66.41 64.84 1afj h THR 50 Cb 0.01 1.89 0.00 0.00 -1.07 0.00 0.00 68.15 68.98 1afj h THR 50 CO 0.00 0.42 -0.32 0.29 -0.01 0.00 0.00 175.52 175.89 1afj n LYS 51 N -3.75 3.80 -2.09 0.00 5.02 -0.65 -5.09 118.16 115.40 1afj n LYS 51 Ca -0.01 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.27 1afj n LYS 51 Cb 0.50 -0.60 -0.00 0.00 -0.02 0.00 0.00 35.03 34.90 1afj n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afj n ALA 52 N -0.96 0.04 0.00 7.82 0.00 -0.53 -4.22 120.51 122.66 1afj n ALA 52 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1afj n ALA 52 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1afj n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1afj n SER 53 N -2.80 0.00 -0.33 0.00 3.41 -1.26 -3.97 113.62 108.67 1afj n SER 53 Ca 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.82 1afj n SER 53 Cb 0.04 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.38 1afj n SER 53 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1afj h VAL 54 N 0.03 0.06 -0.33 -3.33 3.04 -1.98 0.92 116.25 114.66 1afj h VAL 54 Ca 0.00 -0.01 0.03 0.00 -1.01 0.00 0.00 66.70 65.71 1afj h VAL 54 Cb 0.00 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.26 1afj h VAL 54 CO 0.00 0.01 0.12 -0.61 -1.01 0.00 0.00 177.57 176.08 1afj h GLN 55 N 0.04 0.26 0.00 4.17 4.15 -1.99 -1.06 115.11 120.68 1afj h GLN 55 Ca 0.68 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 60.05 1afj h GLN 55 Cb 1.55 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.18 1afj h GLN 55 CO -0.83 0.17 -0.15 -0.22 -1.93 0.00 0.00 178.83 175.87 1afj h LYS 56 N 0.27 0.00 0.27 1.69 1.63 0.44 0.96 116.57 121.82 1afj h LYS 56 Ca 0.15 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1afj h LYS 56 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1afj h LYS 56 CO -0.14 0.15 -0.13 -0.07 -3.45 0.00 0.00 179.45 175.80 1afj h LEU 57 N 0.00 -0.31 -2.29 5.20 3.38 0.08 0.16 115.31 121.53 1afj h LEU 57 Ca -0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1afj h LEU 57 Cb 0.32 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1afj h LEU 57 CO 0.02 0.16 -0.02 0.74 0.09 0.00 0.00 178.44 179.43 1afj h THR 58 N -0.89 0.08 0.00 0.22 2.02 -1.23 -0.54 112.91 112.58 1afj h THR 58 Ca -0.04 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 66.77 1afj h THR 58 Cb 0.51 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1afj h THR 58 CO 0.06 0.02 -0.77 0.11 0.37 0.00 0.00 175.52 175.30 1afj h LYS 59 N 0.00 0.00 -0.25 6.66 1.57 -0.58 -0.96 116.57 123.02 1afj h LYS 59 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1afj h LYS 59 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1afj h LYS 59 CO 0.00 0.40 -0.49 0.00 -0.57 0.00 0.00 179.45 178.79 1afj h ALA 60 N 1.52 0.39 -0.04 3.86 0.00 0.99 0.50 119.26 126.48 1afj h ALA 60 Ca -0.05 -0.49 -0.25 0.00 0.00 0.00 0.00 54.91 54.12 1afj h ALA 60 Cb 1.41 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.15 1afj h ALA 60 CO 0.05 0.56 -0.96 0.00 0.00 0.00 0.00 179.25 178.91 1afj h THR 61 N 0.51 1.29 -0.53 0.00 1.03 -1.57 -0.13 112.91 113.52 1afj h THR 61 Ca 0.01 -2.19 0.11 0.00 -0.01 0.00 0.00 66.41 64.33 1afj h THR 61 Cb 1.10 2.27 -0.03 0.00 -1.07 0.00 0.00 68.15 70.41 1afj h THR 61 CO 0.11 0.68 0.36 0.00 -0.01 0.00 0.00 175.52 176.66 1afj h ALA 62 N 0.49 2.16 0.00 0.00 0.00 -1.07 0.33 119.26 121.18 1afj h ALA 62 Ca -0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1afj h ALA 62 Cb 1.60 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1afj h ALA 62 CO 0.19 -0.29 -0.77 0.22 0.00 0.00 0.00 179.25 178.59 1afj h ASP 63 N 0.25 0.00 0.87 0.00 3.58 -0.57 -3.20 116.42 117.35 1afj h ASP 63 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1afj h ASP 63 Cb 0.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1afj h ASP 63 CO -0.05 0.18 0.00 0.00 -2.88 0.00 0.00 179.24 176.49 1afj n ALA 64 N -2.21 1.95 0.00 -0.78 0.00 0.99 -4.82 120.51 115.64 1afj n ALA 64 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1afj n ALA 64 Cb 0.63 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1afj n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1afj n GLY 65 N 0.63 1.82 2.49 0.00 0.00 -0.65 -5.07 105.19 104.41 1afj n GLY 65 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1afj n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1afj s TYR 66 N -2.00 0.86 -0.76 1.61 2.02 -0.17 -4.96 117.35 113.96 1afj s TYR 66 Ca 0.00 -1.72 -0.24 0.00 -0.37 0.00 0.00 57.07 54.74 1afj s TYR 66 Cb 0.00 -1.02 -0.16 0.00 -0.40 0.00 0.00 41.96 40.38 1afj s TYR 66 CO 0.00 -0.82 2.41 -2.30 -1.57 0.00 0.00 175.55 173.26 1afj n PRO 67 N 3.96 0.56 -1.26 -1.71 -0.02 -1.26 -3.09 135.00 132.18 1afj n PRO 67 Ca 0.12 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 1afj n PRO 67 Cb 0.37 -2.99 0.00 0.00 -0.02 0.00 0.00 33.50 30.86 1afj n PRO 67 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1afj n SER 68 N 15.07 0.90 -2.81 2.55 3.41 -1.26 -3.61 113.62 127.88 1afj n SER 68 Ca 0.49 -0.87 -0.12 0.00 -0.26 0.00 0.00 58.87 58.12 1afj n SER 68 Cb 0.38 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 1afj n SER 68 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1afj n SER 69 N -1.82 -1.63 -4.16 4.04 2.88 0.18 -4.95 113.62 108.17 1afj n SER 69 Ca 0.00 -2.69 -0.13 0.00 -1.33 0.00 0.00 58.87 54.73 1afj n SER 69 Cb 0.00 2.87 -0.11 0.00 -0.75 0.00 0.00 64.21 66.22 1afj n SER 69 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1afj s VAL 70 N -2.55 0.81 -0.33 2.46 0.11 -1.26 -1.43 120.40 118.20 1afj s VAL 70 Ca 0.23 -1.67 0.10 0.00 -2.93 0.00 0.00 61.98 57.71 1afj s VAL 70 Cb -0.02 -1.37 0.35 0.00 -1.53 0.00 0.00 36.38 33.81 1afj s VAL 70 CO 0.17 -0.64 1.38 2.29 -3.33 0.00 0.00 175.10 174.96 1afj n LYS 71 N 0.47 1.14 -0.38 1.54 2.85 -0.69 -4.94 118.16 118.14 1afj n LYS 71 Ca -0.16 -1.25 0.00 0.00 -1.05 0.00 0.00 58.31 55.86 1afj n LYS 71 Cb 0.58 0.24 0.00 0.00 -0.65 0.00 0.00 35.03 35.20 1afj n LYS 71 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39