#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 -0.71 0.17 0.00 -4.23 -1.25 -1.90 115.64 107.72 1afj s THR 2 Ca 0.00 -0.42 0.09 0.00 -1.18 0.00 0.00 61.69 60.18 1afj s THR 2 Cb 0.00 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 1afj s THR 2 CO 0.00 -0.25 -0.09 -1.10 -0.54 0.00 0.00 174.62 172.64 1afj s GLN 3 N 1.76 2.08 -0.05 3.99 -1.52 0.22 -4.87 119.66 121.26 1afj s GLN 3 Ca 0.16 -1.24 0.02 0.00 -1.95 0.00 0.00 55.36 52.35 1afj s GLN 3 Cb -0.09 -2.18 0.02 0.00 -0.22 0.00 0.00 33.01 30.53 1afj s GLN 3 CO -0.08 0.44 -0.08 0.99 -0.25 0.00 0.00 175.29 176.32 1afj s THR 4 N -1.65 0.82 0.28 -0.19 2.01 -1.26 -0.82 115.64 114.83 1afj s THR 4 Ca 0.24 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.97 1afj s THR 4 Cb -0.09 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 1afj s THR 4 CO 0.15 0.29 0.10 0.68 -0.69 0.00 0.00 174.62 175.15 1afj s VAL 5 N 0.81 0.58 0.24 3.82 -7.23 -0.19 -4.87 120.40 113.56 1afj s VAL 5 Ca -0.13 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.11 1afj s VAL 5 Cb -0.15 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1afj s VAL 5 CO 0.02 0.00 0.18 0.42 -0.31 0.00 0.00 175.10 175.40 1afj s THR 6 N -3.68 4.40 0.06 5.32 -4.23 0.13 -1.46 115.64 116.18 1afj s THR 6 Ca 0.37 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.51 1afj s THR 6 Cb 0.07 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 1afj s THR 6 CO 0.14 -0.32 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.07 1afj s LEU 7 N -3.74 2.36 -0.22 4.79 1.02 0.29 -1.91 118.68 121.26 1afj s LEU 7 Ca 0.32 -0.73 -0.01 0.00 0.02 0.00 0.00 54.13 53.73 1afj s LEU 7 Cb -0.08 -0.10 0.06 0.00 0.02 0.00 0.00 46.19 46.09 1afj s LEU 7 CO 0.24 -0.32 0.00 0.00 0.02 0.00 0.00 176.35 176.29 1afj s ALA 8 N -2.32 1.51 -0.78 4.21 0.00 -0.71 -1.37 121.76 122.30 1afj s ALA 8 Ca -0.02 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 1afj s ALA 8 Cb -0.04 -1.34 0.19 0.00 0.00 0.00 0.00 23.12 21.93 1afj s ALA 8 CO -0.02 -1.23 0.62 0.54 0.00 0.00 0.00 175.76 175.66 1afj s VAL 9 N 1.61 3.85 -1.34 0.00 0.11 -1.26 -0.85 120.40 122.53 1afj s VAL 9 Ca -0.02 -3.69 0.16 0.00 -2.93 0.00 0.00 61.98 55.50 1afj s VAL 9 Cb -0.18 -3.45 0.25 0.00 -1.53 0.00 0.00 36.38 31.48 1afj s VAL 9 CO -0.09 -1.01 1.48 -0.81 -3.33 0.00 0.00 175.10 171.35 1afj n PRO 10 N 2.59 0.18 -0.34 1.54 -0.04 -1.26 -3.48 135.00 134.20 1afj n PRO 10 Ca 0.17 0.15 0.21 0.00 -0.04 0.00 0.00 63.50 63.99 1afj n PRO 10 Cb 0.37 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.76 1afj n PRO 10 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1afj h GLY 11 N 2.72 2.00 -5.22 0.55 0.00 -1.85 -3.40 103.07 97.86 1afj h GLY 11 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1afj h GLY 11 CO 0.00 -0.38 -0.09 1.06 0.00 0.00 0.00 176.54 177.13 1afj s MET 12 N -5.71 0.61 -0.36 4.80 -1.94 -1.23 -4.90 119.30 110.56 1afj s MET 12 Ca -0.10 1.00 0.00 0.00 -1.71 0.00 0.00 55.69 54.88 1afj s MET 12 Cb 0.29 0.13 0.12 0.00 2.01 0.00 0.00 34.83 37.38 1afj s MET 12 CO 0.79 -0.14 0.18 -0.08 -0.01 0.00 0.00 175.02 175.76 1afj s THR 13 N 1.27 0.81 0.00 2.05 -1.32 -1.26 -3.48 115.64 113.71 1afj s THR 13 Ca -0.08 -1.83 0.00 0.00 -1.21 0.00 0.00 61.69 58.57 1afj s THR 13 Cb -0.06 -1.59 0.00 0.00 -1.51 0.00 0.00 72.50 69.34 1afj s THR 13 CO -0.13 -0.84 0.00 0.00 -2.21 0.00 0.00 174.62 171.44 1afj n ALA 15 N -2.28 0.00 0.00 0.00 0.00 -1.26 -2.89 120.51 114.08 1afj n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1afj n ALA 15 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.01 0.00 0.00 -1.26 -4.96 120.51 114.28 1afj n ALA 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1afj n ALA 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.60 0.81 0.00 0.00 0.13 -1.87 0.19 132.00 130.66 1afj h PRO 18 Ca -0.00 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1afj h PRO 18 Cb 0.55 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 1afj h PRO 18 CO 0.01 0.53 -0.13 0.82 -0.23 0.00 0.00 178.00 179.00 1afj h ILE 19 N 0.83 0.90 0.00 -3.56 2.04 -1.80 0.17 117.51 116.09 1afj h ILE 19 Ca 0.31 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1afj h ILE 19 Cb 0.11 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1afj h ILE 19 CO -0.15 0.13 -0.12 0.74 0.00 0.00 0.00 178.15 178.75 1afj h THR 20 N 0.00 0.46 0.00 -0.27 2.02 0.11 0.62 112.91 115.85 1afj h THR 20 Ca -0.00 -0.62 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 1afj h THR 20 Cb 0.26 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1afj h THR 20 CO 0.02 0.12 -0.38 0.58 0.37 0.00 0.00 175.52 176.22 1afj h VAL 21 N 0.00 1.14 -0.33 3.16 2.07 -0.58 0.05 116.25 121.77 1afj h VAL 21 Ca -0.00 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 1afj h VAL 21 Cb 0.42 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1afj h VAL 21 CO 0.02 0.38 0.10 0.50 0.02 0.00 0.00 177.57 178.58 1afj h LYS 22 N 0.00 0.51 0.00 1.57 3.64 -0.87 -0.61 116.57 120.81 1afj h LYS 22 Ca -0.00 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1afj h LYS 22 Cb 0.74 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1afj h LYS 22 CO 0.05 0.55 -0.04 0.87 -2.27 0.00 0.00 179.45 178.61 1afj h LYS 23 N 0.37 0.00 -0.19 1.90 1.79 -1.24 -1.88 116.57 117.32 1afj h LYS 23 Ca 0.11 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.37 1afj h LYS 23 Cb 0.26 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1afj h LYS 23 CO -0.00 0.04 -0.70 0.00 -1.08 0.00 0.00 179.45 177.71 1afj h ALA 24 N 1.96 0.34 0.06 3.86 0.00 0.44 -1.53 119.26 124.39 1afj h ALA 24 Ca -0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 54.91 54.10 1afj h ALA 24 Cb 0.51 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1afj h ALA 24 CO 0.01 0.66 -1.06 -0.07 0.00 0.00 0.00 179.25 178.78 1afj h LEU 25 N 0.56 0.40 -1.24 0.00 3.38 -0.95 0.30 115.31 117.76 1afj h LEU 25 Ca -0.03 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1afj h LEU 25 Cb 1.33 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1afj h LEU 25 CO 0.15 1.23 -0.10 -1.28 0.09 0.00 0.00 178.44 178.52 1afj h SER 26 N 0.12 0.00 -0.01 -0.43 0.87 -1.36 -2.84 113.55 109.89 1afj h SER 26 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1afj h SER 26 Cb 1.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1afj h SER 26 CO 0.17 0.10 -0.02 0.29 -0.53 0.00 0.00 176.83 176.84 1afj n LYS 27 N -3.23 0.76 -0.26 2.24 4.01 -0.58 -4.61 118.16 116.49 1afj n LYS 27 Ca 0.01 -1.13 0.07 0.00 -0.51 0.00 0.00 58.31 56.75 1afj n LYS 27 Cb 0.37 -1.21 0.20 0.00 -0.51 0.00 0.00 35.03 33.89 1afj n LYS 27 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1afj h VAL 28 N 2.15 0.51 0.00 -0.18 3.04 -0.14 -3.47 116.25 118.16 1afj h VAL 28 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1afj h VAL 28 Cb 0.47 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 1afj h VAL 28 CO 0.00 0.05 0.00 -0.62 -1.01 0.00 0.00 177.57 175.99 1afj n GLU 29 N -5.13 0.00 -0.20 4.17 1.02 -1.26 -4.93 120.64 114.31 1afj n GLU 29 Ca 0.16 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.39 1afj n GLU 29 Cb 0.49 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 32.18 1afj n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1afj n GLY 30 N 0.00 1.22 3.47 0.62 0.00 -1.18 -4.97 105.19 104.35 1afj n GLY 30 Ca 0.00 -0.57 -0.53 0.00 0.00 0.00 0.00 46.02 44.91 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 0.96 0.88 0.26 1.61 3.14 -1.26 -3.37 118.33 120.56 1afj n VAL 31 Ca 0.18 -0.22 0.05 0.00 -2.96 0.00 0.00 64.34 61.39 1afj n VAL 31 Cb 0.45 -0.10 -0.07 0.00 -1.06 0.00 0.00 33.84 33.05 1afj n VAL 31 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1afj n SER 32 N 1.76 1.44 -3.45 6.55 2.88 -0.47 -4.88 113.62 117.45 1afj n SER 32 Ca 0.19 -0.39 -0.12 0.00 -1.33 0.00 0.00 58.87 57.21 1afj n SER 32 Cb 0.17 1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 64.85 1afj n SER 32 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1afj s LYS 33 N -2.39 1.17 0.14 -1.46 2.20 -0.95 -4.95 119.74 113.51 1afj s LYS 33 Ca 0.00 -0.35 -0.12 0.00 -0.36 0.00 0.00 55.97 55.14 1afj s LYS 33 Cb 0.08 0.54 0.01 0.00 -1.51 0.00 0.00 37.83 36.95 1afj s LYS 33 CO 0.46 -0.50 0.32 0.54 -0.36 0.00 0.00 175.35 175.81 1afj s VAL 34 N -3.32 0.08 -0.01 4.02 0.11 -1.26 -1.76 120.40 118.26 1afj s VAL 34 Ca 0.00 -1.03 -0.25 0.00 -2.93 0.00 0.00 61.98 57.77 1afj s VAL 34 Cb -0.01 -1.48 0.05 0.00 -1.53 0.00 0.00 36.38 33.42 1afj s VAL 34 CO -0.10 -0.38 0.55 -0.62 -3.33 0.00 0.00 175.10 171.22 1afj s ASP 35 N -2.88 -0.49 0.15 3.54 2.15 0.46 -4.90 116.67 114.71 1afj s ASP 35 Ca 0.09 0.41 -0.17 0.00 0.43 0.00 0.00 52.55 53.31 1afj s ASP 35 Cb 0.03 0.48 0.03 0.00 -0.30 0.00 0.00 42.92 43.16 1afj s ASP 35 CO -0.07 -0.61 0.45 0.54 -0.17 0.00 0.00 175.17 175.31 1afj s VAL 36 N -1.61 0.05 -0.16 1.11 0.11 -1.26 -0.58 120.40 118.06 1afj s VAL 36 Ca -0.10 -0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 58.27 1afj s VAL 36 Cb -0.01 -1.32 0.06 0.00 -1.53 0.00 0.00 36.38 33.57 1afj s VAL 36 CO 0.05 -0.23 0.06 -0.83 -3.33 0.00 0.00 175.10 170.82 1afj s GLY 37 N -2.83 0.46 0.00 6.54 0.00 0.20 -4.93 107.32 106.76 1afj s GLY 37 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1afj s GLY 37 CO -0.09 1.56 0.00 1.97 0.00 0.00 0.00 173.10 176.55 1afj n PHE 38 N 5.20 -0.41 0.00 1.90 -1.74 -1.26 -2.32 117.46 118.83 1afj n PHE 38 Ca -0.07 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.82 1afj n PHE 38 Cb 0.49 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.49 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 0.00 0.00 -0.17 3.97 2.13 -1.14 -0.00 120.64 125.43 1afj n GLU 39 Ca 0.00 0.00 0.25 0.00 0.66 0.00 0.00 57.16 58.07 1afj n GLU 39 Cb 0.00 0.00 0.38 0.00 0.27 0.00 0.00 31.44 32.09 1afj n GLU 39 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1afj n LYS 40 N 0.00 0.01 -2.71 5.31 5.02 -1.26 -4.44 118.16 120.10 1afj n LYS 40 Ca 0.00 0.96 -0.05 0.00 -2.02 0.00 0.00 58.31 57.21 1afj n LYS 40 Cb 0.00 -2.41 0.01 0.00 -0.02 0.00 0.00 35.03 32.60 1afj n LYS 40 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1afj n ARG 41 N -3.09 -1.76 -3.60 1.97 0.00 0.99 -5.01 116.66 106.17 1afj n ARG 41 Ca 0.21 1.73 -0.03 0.00 -0.00 0.00 0.00 57.85 59.76 1afj n ARG 41 Cb 1.42 -5.10 -0.06 0.00 0.00 0.00 0.00 32.46 28.73 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 -2.56 0.48 -0.09 -0.14 2.12 -1.11 -4.10 118.70 113.30 1afj s GLU 42 Ca 0.15 0.96 0.02 0.00 0.36 0.00 0.00 54.97 56.46 1afj s GLU 42 Cb -0.04 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.66 1afj s GLU 42 CO 0.65 -0.12 -0.16 0.00 -0.54 0.00 0.00 175.26 175.09 1afj s ALA 43 N 1.90 1.59 -0.07 6.30 0.00 -0.47 0.58 121.76 131.59 1afj s ALA 43 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1afj s ALA 43 Cb -0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1afj s ALA 43 CO -0.17 0.08 -0.04 0.08 0.00 0.00 0.00 175.76 175.71 1afj s VAL 44 N 0.72 3.93 0.06 0.00 1.01 0.26 0.11 120.40 126.48 1afj s VAL 44 Ca -0.13 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 1afj s VAL 44 Cb -0.16 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1afj s VAL 44 CO 0.03 0.59 0.28 0.54 0.00 0.00 0.00 175.10 176.53 1afj s VAL 45 N -0.85 0.09 0.18 2.92 0.11 -0.54 0.17 120.40 122.48 1afj s VAL 45 Ca 0.13 -0.77 0.08 0.00 -2.93 0.00 0.00 61.98 58.49 1afj s VAL 45 Cb -0.11 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1afj s VAL 45 CO 0.02 -0.43 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.31 1afj s THR 46 N -2.84 1.79 0.08 5.04 2.01 -0.73 -1.02 115.64 119.98 1afj s THR 46 Ca -0.03 -2.01 -0.24 0.00 0.31 0.00 0.00 61.69 59.72 1afj s THR 46 Cb 0.00 -1.90 0.08 0.00 0.01 0.00 0.00 72.50 70.70 1afj s THR 46 CO -0.05 -0.41 1.12 2.22 -0.69 0.00 0.00 174.62 176.81 1afj n PHE 47 N 0.08 -0.86 -3.96 4.92 1.16 0.00 -1.37 117.46 117.43 1afj n PHE 47 Ca -0.11 -0.97 -0.35 0.00 -1.87 0.00 0.00 57.45 54.14 1afj n PHE 47 Cb 0.58 0.46 -0.12 0.00 -1.61 0.00 0.00 39.48 38.79 1afj n PHE 47 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1afj s ASP 48 N -3.56 5.00 0.00 5.98 1.11 -1.22 -0.61 116.67 123.37 1afj s ASP 48 Ca 0.26 -0.18 0.08 0.00 0.18 0.00 0.00 52.55 52.89 1afj s ASP 48 Cb -0.02 -1.87 0.40 0.00 1.07 0.00 0.00 42.92 42.50 1afj s ASP 48 CO 0.02 0.04 1.11 -0.90 1.18 0.00 0.00 175.17 176.63 1afj n ASP 49 N 4.42 0.00 -0.18 0.27 5.75 -0.80 -2.57 116.55 123.44 1afj n ASP 49 Ca -0.17 0.16 -0.02 0.00 -0.01 0.00 0.00 54.79 54.75 1afj n ASP 49 Cb 0.52 -0.28 0.18 0.00 -1.03 0.00 0.00 41.12 40.52 1afj n ASP 49 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1afj h THR 50 N 0.00 1.22 0.00 2.12 1.35 -1.93 -3.23 112.91 112.45 1afj h THR 50 Ca 0.00 -0.70 -0.03 0.00 -0.55 0.00 0.00 66.41 65.13 1afj h THR 50 Cb 0.07 0.47 -0.06 0.00 -1.73 0.00 0.00 68.15 66.90 1afj h THR 50 CO 0.00 0.28 -0.39 0.29 -0.25 0.00 0.00 175.52 175.45 1afj n LYS 51 N -4.31 0.77 -1.87 4.72 5.02 -1.06 -5.08 118.16 116.35 1afj n LYS 51 Ca 0.05 -2.16 -0.00 0.00 -2.02 0.00 0.00 58.31 54.18 1afj n LYS 51 Cb 0.17 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 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 -0.67 -0.46 0.00 7.82 0.00 -1.10 -3.08 120.51 123.01 1afj n ALA 52 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1afj n ALA 52 Cb 0.74 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.28 1afj n ALA 52 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1afj n SER 53 N -0.65 0.00 -0.44 0.00 7.64 -1.26 -4.19 113.62 114.72 1afj n SER 53 Ca -0.00 0.00 0.36 0.00 1.01 0.00 0.00 58.87 60.24 1afj n SER 53 Cb 0.09 0.00 0.65 0.00 -1.01 0.00 0.00 64.21 63.95 1afj n SER 53 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1afj h VAL 54 N 0.08 0.19 -0.21 0.44 3.04 -1.99 1.04 116.25 118.85 1afj h VAL 54 Ca 0.00 -0.04 -0.03 0.00 -1.01 0.00 0.00 66.70 65.62 1afj h VAL 54 Cb 0.00 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.34 1afj h VAL 54 CO 0.00 0.02 0.03 -0.61 -1.01 0.00 0.00 177.57 176.00 1afj h GLN 55 N 0.12 0.35 0.00 4.17 4.15 -1.99 -2.44 115.11 119.47 1afj h GLN 55 Ca 0.78 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 60.08 1afj h GLN 55 Cb 2.51 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 30.15 1afj h GLN 55 CO -0.33 0.50 -0.11 0.87 -1.93 0.00 0.00 178.83 177.84 1afj h LYS 56 N 0.14 0.00 0.25 1.69 1.57 0.71 0.14 116.57 121.07 1afj h LYS 56 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1afj h LYS 56 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1afj h LYS 56 CO 0.00 0.11 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.80 1afj h LEU 57 N 0.00 -0.28 -2.39 2.94 3.38 -0.75 0.43 115.31 118.64 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 0.31 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1afj h LEU 57 CO 0.01 0.22 0.00 0.74 0.09 0.00 0.00 178.44 179.50 1afj h THR 58 N -0.94 0.00 0.00 0.22 2.02 -1.31 0.23 112.91 113.14 1afj h THR 58 Ca -0.03 -0.18 -0.14 0.00 0.77 0.00 0.00 66.41 66.83 1afj h THR 58 Cb 0.49 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1afj h THR 58 CO 0.06 0.00 -0.76 0.50 0.37 0.00 0.00 175.52 175.69 1afj h LYS 59 N 0.00 0.00 -0.19 6.66 3.64 -0.51 -0.53 116.57 125.64 1afj h LYS 59 Ca 0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1afj h LYS 59 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1afj h LYS 59 CO 0.00 0.57 -0.55 0.00 -2.27 0.00 0.00 179.45 177.20 1afj h ALA 60 N 1.38 0.32 -0.00 5.00 0.00 0.12 0.95 119.26 127.02 1afj h ALA 60 Ca -0.03 -0.51 -0.24 0.00 0.00 0.00 0.00 54.91 54.12 1afj h ALA 60 Cb 1.50 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.26 1afj h ALA 60 CO 0.08 0.53 -0.96 0.00 0.00 0.00 0.00 179.25 178.89 1afj h THR 61 N 0.40 1.37 -0.09 0.00 1.03 -1.55 0.23 112.91 114.30 1afj h THR 61 Ca -0.02 -2.39 -0.00 0.00 -0.01 0.00 0.00 66.41 63.99 1afj h THR 61 Cb 1.17 2.40 -0.01 0.00 -1.07 0.00 0.00 68.15 70.65 1afj h THR 61 CO 0.12 0.72 0.04 0.00 -0.01 0.00 0.00 175.52 176.39 1afj h ALA 62 N 0.66 1.90 0.00 0.00 0.00 -1.02 0.17 119.26 120.96 1afj h ALA 62 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1afj h ALA 62 Cb 1.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1afj h ALA 62 CO 0.17 0.09 -0.80 -3.47 0.00 0.00 0.00 179.25 175.24 1afj n ASP 63 N -4.50 0.69 0.25 0.00 -0.08 0.32 -3.53 116.55 109.70 1afj n ASP 63 Ca -0.02 0.06 0.14 0.00 -1.51 0.00 0.00 54.79 53.47 1afj n ASP 63 Cb 0.10 0.39 0.53 0.00 2.34 0.00 0.00 41.12 44.48 1afj n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1afj h ALA 64 N 2.44 1.00 0.00 -1.67 0.00 0.24 -3.45 119.26 117.82 1afj h ALA 64 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1afj h ALA 64 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1afj h ALA 64 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1afj n GLY 65 N 0.28 1.95 2.59 0.00 0.00 -0.84 -5.06 105.19 104.10 1afj n GLY 65 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 0.35 -0.69 1.61 2.02 -0.73 -4.88 117.35 113.04 1afj s TYR 66 Ca 0.00 -0.64 -0.25 0.00 -0.37 0.00 0.00 57.07 55.80 1afj s TYR 66 Cb 0.00 -0.84 -0.13 0.00 -0.40 0.00 0.00 41.96 40.59 1afj s TYR 66 CO 0.00 -0.67 2.42 -2.30 -1.57 0.00 0.00 175.55 173.43 1afj n PRO 67 N 5.24 0.70 -3.05 -1.71 -0.02 -1.26 -3.31 135.00 131.59 1afj n PRO 67 Ca -0.06 -0.39 -0.17 0.00 -2.02 0.00 0.00 63.50 60.85 1afj n PRO 67 Cb 0.46 -3.31 -0.00 0.00 -0.02 0.00 0.00 33.50 30.63 1afj n PRO 67 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1afj n SER 68 N 16.31 2.18 -2.36 2.55 2.88 -1.26 -3.73 113.62 130.20 1afj n SER 68 Ca 0.45 -2.24 -0.10 0.00 -1.33 0.00 0.00 58.87 55.65 1afj n SER 68 Cb 0.44 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.87 1afj n SER 68 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1afj n SER 69 N -1.85 -0.84 -4.19 -3.46 2.88 -0.03 -4.92 113.62 101.22 1afj n SER 69 Ca -0.02 -2.30 -0.11 0.00 -1.33 0.00 0.00 58.87 55.11 1afj n SER 69 Cb 0.40 1.61 -0.10 0.00 -0.75 0.00 0.00 64.21 65.37 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 -2.72 0.80 -0.34 2.46 0.11 -1.26 -1.74 120.40 117.71 1afj s VAL 70 Ca 0.21 -1.94 0.15 0.00 -2.93 0.00 0.00 61.98 57.47 1afj s VAL 70 Cb -0.00 -1.69 0.44 0.00 -1.53 0.00 0.00 36.38 33.60 1afj s VAL 70 CO 0.15 -0.83 1.18 2.29 -3.33 0.00 0.00 175.10 174.56 1afj n LYS 71 N -0.03 1.29 0.00 1.54 2.85 -0.80 -4.94 118.16 118.06 1afj n LYS 71 Ca -0.12 -2.57 0.00 0.00 -1.05 0.00 0.00 58.31 54.57 1afj n LYS 71 Cb 0.61 -0.70 0.00 0.00 -0.65 0.00 0.00 35.03 34.28 1afj n LYS 71 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39