#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 -0.78 0.07 0.00 -4.23 -1.25 -1.26 115.64 108.18 1afj s THR 2 Ca 0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1afj s THR 2 Cb 0.00 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1afj s THR 2 CO 0.00 -0.19 0.03 0.00 -0.54 0.00 0.00 174.62 173.93 1afj n GLN 3 N 4.68 1.57 -3.66 3.99 6.02 -0.42 -4.87 117.38 124.68 1afj n GLN 3 Ca 0.08 -0.45 -0.12 0.00 -0.01 0.00 0.00 57.00 56.51 1afj n GLN 3 Cb 0.52 0.08 -0.06 0.00 1.02 0.00 0.00 30.24 31.81 1afj n GLN 3 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1afj s THR 4 N -0.68 0.07 0.08 5.09 2.01 -1.26 -1.31 115.64 119.63 1afj s THR 4 Ca 0.02 -0.54 -0.27 0.00 0.31 0.00 0.00 61.69 61.21 1afj s THR 4 Cb -0.00 -1.05 0.09 0.00 0.01 0.00 0.00 72.50 71.55 1afj s THR 4 CO 0.02 -0.30 1.10 0.54 -0.69 0.00 0.00 174.62 175.29 1afj s VAL 5 N -3.03 0.00 0.34 3.82 0.11 -0.87 -4.85 120.40 115.92 1afj s VAL 5 Ca -0.02 -0.47 0.08 0.00 -2.93 0.00 0.00 61.98 58.65 1afj s VAL 5 Cb 0.00 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 1afj s VAL 5 CO -0.06 0.00 0.20 0.28 -3.33 0.00 0.00 175.10 172.18 1afj s THR 6 N -2.92 3.19 0.03 5.04 -1.32 -1.26 -1.24 115.64 117.16 1afj s THR 6 Ca 0.13 -1.58 0.03 0.00 -1.21 0.00 0.00 61.69 59.06 1afj s THR 6 Cb 0.01 -3.05 -0.02 0.00 -1.51 0.00 0.00 72.50 67.94 1afj s THR 6 CO -0.00 -0.18 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.37 1afj s LEU 7 N -3.90 2.16 -0.43 9.08 1.02 0.51 -2.47 118.68 124.64 1afj s LEU 7 Ca 0.39 -0.39 -0.05 0.00 0.02 0.00 0.00 54.13 54.09 1afj s LEU 7 Cb -0.04 -0.37 0.11 0.00 0.02 0.00 0.00 46.19 45.92 1afj s LEU 7 CO 0.24 -0.04 0.26 0.00 0.02 0.00 0.00 176.35 176.83 1afj s ALA 8 N -0.84 3.25 -0.87 4.21 0.00 -0.99 -1.70 121.76 124.83 1afj s ALA 8 Ca -0.02 -2.53 -0.00 0.00 0.00 0.00 0.00 51.96 49.40 1afj s ALA 8 Cb -0.07 -2.58 0.22 0.00 0.00 0.00 0.00 23.12 20.69 1afj s ALA 8 CO 0.01 -1.84 0.76 1.55 0.00 0.00 0.00 175.76 176.24 1afj n VAL 9 N 4.72 2.86 0.55 0.00 3.14 -1.23 0.22 118.33 128.59 1afj n VAL 9 Ca -0.05 -5.10 0.05 0.00 -2.96 0.00 0.00 64.34 56.28 1afj n VAL 9 Cb 0.41 -2.34 0.29 0.00 -1.06 0.00 0.00 33.84 31.14 1afj n VAL 9 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1afj n PRO 10 N 2.17 0.19 -0.32 1.45 -0.04 -1.26 -3.58 135.00 133.61 1afj n PRO 10 Ca 0.22 0.15 0.20 0.00 -0.04 0.00 0.00 63.50 64.03 1afj n PRO 10 Cb 0.37 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.72 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 1.79 1.65 0.00 0.55 0.00 -1.84 -3.43 103.07 101.79 1afj h GLY 11 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1afj h GLY 11 CO 0.00 -0.56 0.00 1.03 0.00 0.00 0.00 176.54 177.01 1afj n MET 12 N -5.31 0.19 -2.66 4.80 2.81 -1.24 -4.95 117.12 110.77 1afj n MET 12 Ca 0.28 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 56.14 1afj n MET 12 Cb 0.91 0.00 0.04 0.00 -0.71 0.00 0.00 33.22 33.46 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 0.00 0.00 -4.01 2.03 5.66 -1.26 -4.71 114.28 112.00 1afj n THR 13 Ca 0.00 -0.07 0.03 0.00 -3.05 0.00 0.00 64.05 60.96 1afj n THR 13 Cb 0.00 0.55 0.01 0.00 -1.55 0.00 0.00 70.33 69.34 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 -1.49 5.34 0.00 0.00 0.00 -1.08 -3.35 120.51 119.93 1afj n ALA 15 Ca -0.08 -3.95 0.00 0.00 0.00 0.00 0.00 53.44 49.41 1afj n ALA 15 Cb 0.43 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.43 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 5.92 0.00 -0.07 0.00 0.00 -1.26 -5.00 120.51 120.10 1afj n ALA 16 Ca 0.50 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.72 1afj n ALA 16 Cb 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.31 0.84 -0.25 0.00 0.14 -1.85 -1.87 132.00 128.70 1afj h PRO 18 Ca -0.49 -0.24 -0.07 0.00 0.14 0.00 0.00 66.00 65.34 1afj h PRO 18 Cb 1.80 -0.09 -0.01 0.00 0.14 0.00 0.00 31.00 32.83 1afj h PRO 18 CO -0.09 0.86 -0.13 0.97 0.14 0.00 0.00 178.00 179.75 1afj h ILE 19 N 0.78 1.22 0.00 -3.56 2.10 -1.78 -0.71 117.51 115.56 1afj h ILE 19 Ca 0.15 -0.96 -0.00 0.00 1.08 0.00 0.00 64.86 65.12 1afj h ILE 19 Cb 0.50 1.18 -0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1afj h ILE 19 CO 0.03 0.31 -0.00 0.74 -1.08 0.00 0.00 178.15 178.14 1afj h THR 20 N 0.38 0.02 -0.04 2.19 2.02 -1.36 0.22 112.91 116.34 1afj h THR 20 Ca 0.07 -0.04 -0.21 0.00 0.77 0.00 0.00 66.41 67.00 1afj h THR 20 Cb 0.46 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1afj h THR 20 CO 0.03 0.00 -0.86 0.58 0.37 0.00 0.00 175.52 175.64 1afj h VAL 21 N 0.00 1.38 -0.38 3.16 2.07 -1.00 -2.42 116.25 119.06 1afj h VAL 21 Ca -0.00 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.23 1afj h VAL 21 Cb 0.04 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1afj h VAL 21 CO 0.00 0.69 0.23 0.07 0.02 0.00 0.00 177.57 178.58 1afj h LYS 22 N 0.28 0.51 -0.16 1.57 5.09 -0.57 -1.50 116.57 121.79 1afj h LYS 22 Ca -0.06 -0.04 -0.05 0.00 0.09 0.00 0.00 60.65 60.59 1afj h LYS 22 Cb 1.47 -0.11 -0.00 0.00 0.10 0.00 0.00 32.23 33.69 1afj h LYS 22 CO 0.15 0.36 -0.08 -0.22 -2.09 0.00 0.00 179.45 177.58 1afj h LYS 23 N 0.53 0.33 0.13 0.07 3.11 -1.21 -1.15 116.57 118.38 1afj h LYS 23 Ca 0.14 -0.15 0.02 0.00 -2.81 0.00 0.00 60.65 57.85 1afj h LYS 23 Cb -0.02 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.16 1afj h LYS 23 CO -0.03 0.65 -0.42 0.00 -2.81 0.00 0.00 179.45 176.84 1afj h ALA 24 N 0.68 -0.75 -0.14 5.00 0.00 -0.81 -0.99 119.26 122.25 1afj h ALA 24 Ca 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1afj h ALA 24 Cb 0.55 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1afj h ALA 24 CO 0.02 -0.99 -0.19 -0.07 0.00 0.00 0.00 179.25 178.02 1afj h LEU 25 N -0.66 0.22 -2.48 0.00 3.38 -1.44 0.85 115.31 115.18 1afj h LEU 25 Ca 0.02 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1afj h LEU 25 Cb 0.68 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1afj h LEU 25 CO -0.24 0.43 -0.00 -1.28 0.09 0.00 0.00 178.44 177.44 1afj h SER 26 N 0.21 0.00 0.00 -0.43 0.87 -0.22 -2.54 113.55 111.44 1afj h SER 26 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1afj h SER 26 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1afj h SER 26 CO 0.03 0.00 -0.15 2.29 -0.53 0.00 0.00 176.83 178.47 1afj n LYS 27 N -3.09 0.99 0.19 2.24 -0.00 -0.32 -4.86 118.16 113.31 1afj n LYS 27 Ca -0.02 -1.53 -0.15 0.00 -0.00 0.00 0.00 58.31 56.62 1afj n LYS 27 Cb 0.15 -0.92 -0.07 0.00 -0.00 0.00 0.00 35.03 34.18 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 2.66 0.26 0.00 0.58 3.04 0.11 -3.47 116.25 119.42 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 1.03 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1afj h VAL 28 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.57 174.72 1afj n GLU 29 N -5.46 0.00 -0.01 4.17 0.28 -1.26 -4.95 120.64 113.41 1afj n GLU 29 Ca -0.09 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.92 1afj n GLU 29 Cb 0.36 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.25 1afj n GLU 29 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1afj n GLY 30 N 0.00 0.28 3.61 -1.84 0.00 -1.26 -4.96 105.19 101.01 1afj n GLY 30 Ca 0.00 -0.08 -0.48 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.01 0.86 0.18 1.61 3.14 -1.26 -0.92 118.33 121.93 1afj n VAL 31 Ca 0.02 -0.22 0.02 0.00 -2.96 0.00 0.00 64.34 61.20 1afj n VAL 31 Cb 0.14 -1.03 -0.02 0.00 -1.06 0.00 0.00 33.84 31.88 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 2.10 0.34 -3.61 6.55 7.64 -0.25 -4.84 113.62 121.55 1afj n SER 32 Ca 0.14 -0.67 -0.11 0.00 1.01 0.00 0.00 58.87 59.25 1afj n SER 32 Cb 0.26 0.86 -0.04 0.00 -1.01 0.00 0.00 64.21 64.29 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 -1.22 1.17 -0.17 1.43 2.20 -1.08 -4.92 119.74 117.14 1afj s LYS 33 Ca 0.02 -0.69 -0.14 0.00 -0.36 0.00 0.00 55.97 54.79 1afj s LYS 33 Cb 0.03 0.50 0.05 0.00 -1.51 0.00 0.00 37.83 36.90 1afj s LYS 33 CO 0.14 -0.48 0.45 0.08 -0.36 0.00 0.00 175.35 175.19 1afj s VAL 34 N -3.81 -0.01 -0.35 4.02 1.01 -1.26 -2.46 120.40 117.54 1afj s VAL 34 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1afj s VAL 34 Cb 0.01 -0.64 0.19 0.00 0.00 0.00 0.00 36.38 35.93 1afj s VAL 34 CO -0.11 0.01 0.84 -1.81 0.00 0.00 0.00 175.10 174.03 1afj s ASP 35 N 0.54 -0.95 0.00 3.32 1.01 0.93 -4.97 116.67 116.55 1afj s ASP 35 Ca -0.02 -0.33 0.00 0.00 0.71 0.00 0.00 52.55 52.91 1afj s ASP 35 Cb -0.04 1.30 0.00 0.00 1.01 0.00 0.00 42.92 45.18 1afj s ASP 35 CO -0.03 -0.12 0.00 1.33 0.21 0.00 0.00 175.17 176.56 1afj n VAL 36 N 4.35 0.00 -3.48 -1.27 0.24 -1.26 -0.86 118.33 116.05 1afj n VAL 36 Ca 0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.24 1afj n VAL 36 Cb 0.59 -0.21 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.21 -0.17 -1.49 7.63 0.00 0.40 -4.83 107.32 108.66 1afj s GLY 37 Ca 0.00 0.63 -0.11 0.00 0.00 0.00 0.00 44.72 45.24 1afj s GLY 37 CO 0.00 2.31 2.49 1.97 0.00 0.00 0.00 173.10 179.87 1afj n PHE 38 N 5.34 2.93 0.01 1.90 -1.74 -1.26 -3.02 117.46 121.62 1afj n PHE 38 Ca -0.05 -2.99 0.00 0.00 -0.56 0.00 0.00 57.45 53.85 1afj n PHE 38 Cb 0.50 -2.39 0.00 0.00 1.52 0.00 0.00 39.48 39.11 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 4.38 0.00 -1.02 3.97 4.07 -1.21 -2.62 120.64 128.20 1afj n GLU 39 Ca 0.62 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 57.53 1afj n GLU 39 Cb 0.31 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.71 1afj n GLU 39 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1afj n LYS 40 N -2.23 1.94 -1.20 5.31 2.85 -1.26 -3.93 118.16 119.65 1afj n LYS 40 Ca 0.00 -1.75 -0.03 0.00 -1.05 0.00 0.00 58.31 55.47 1afj n LYS 40 Cb 0.00 -1.74 0.00 0.00 -0.65 0.00 0.00 35.03 32.64 1afj n LYS 40 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1afj n ARG 41 N 0.45 -0.19 -3.55 -1.58 -4.01 -1.24 -4.93 116.66 101.61 1afj n ARG 41 Ca 0.35 0.19 -0.10 0.00 -1.04 0.00 0.00 57.85 57.24 1afj n ARG 41 Cb 0.58 -0.26 -0.10 0.00 -3.04 0.00 0.00 32.46 29.64 1afj n ARG 41 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 1afj s GLU 42 N -0.30 0.29 -0.25 2.89 2.12 -1.17 -3.54 118.70 118.75 1afj s GLU 42 Ca 0.03 0.77 -0.04 0.00 0.36 0.00 0.00 54.97 56.09 1afj s GLU 42 Cb -0.00 -0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.30 1afj s GLU 42 CO 0.08 -0.41 -0.00 0.00 -0.54 0.00 0.00 175.26 174.38 1afj s ALA 43 N 2.54 2.89 -0.29 6.30 0.00 -0.69 0.15 121.76 132.66 1afj s ALA 43 Ca 0.04 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 1afj s ALA 43 Cb -0.13 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.15 1afj s ALA 43 CO -0.13 -0.65 0.05 0.08 0.00 0.00 0.00 175.76 175.11 1afj s VAL 44 N 1.46 3.70 0.04 0.00 1.01 -0.04 0.19 120.40 126.76 1afj s VAL 44 Ca 0.04 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1afj s VAL 44 Cb -0.16 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1afj s VAL 44 CO -0.01 0.09 -0.05 -0.69 0.00 0.00 0.00 175.10 174.43 1afj s VAL 45 N 1.45 0.33 0.36 2.92 1.01 -0.37 -0.05 120.40 126.05 1afj s VAL 45 Ca 0.02 -1.09 0.08 0.00 0.00 0.00 0.00 61.98 60.99 1afj s VAL 45 Cb -0.17 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1afj s VAL 45 CO 0.01 -0.50 0.23 -0.89 0.00 0.00 0.00 175.10 173.95 1afj s THR 46 N -1.68 3.06 0.01 3.92 2.01 -1.03 -2.04 115.64 119.89 1afj s THR 46 Ca -0.11 -1.54 -0.03 0.00 0.31 0.00 0.00 61.69 60.32 1afj s THR 46 Cb -0.08 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.39 1afj s THR 46 CO -0.01 -0.14 0.12 2.22 -0.69 0.00 0.00 174.62 176.13 1afj n PHE 47 N -1.29 -0.41 -3.69 4.92 1.16 -0.43 -1.09 117.46 116.63 1afj n PHE 47 Ca -0.01 -0.10 -0.39 0.00 -1.87 0.00 0.00 57.45 55.07 1afj n PHE 47 Cb 0.61 0.05 -0.12 0.00 -1.61 0.00 0.00 39.48 38.41 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 -1.28 5.44 0.00 5.98 2.15 -0.10 -1.30 116.67 127.55 1afj s ASP 48 Ca 0.03 -0.97 0.03 0.00 0.43 0.00 0.00 52.55 52.06 1afj s ASP 48 Cb -0.00 -1.93 0.13 0.00 -0.30 0.00 0.00 42.92 40.81 1afj s ASP 48 CO 0.00 -0.31 1.08 -0.67 -0.17 0.00 0.00 175.17 175.10 1afj n ASP 49 N 4.90 0.00 0.10 -0.34 2.03 -0.39 -0.31 116.55 122.54 1afj n ASP 49 Ca -0.13 0.48 -0.05 0.00 0.52 0.00 0.00 54.79 55.62 1afj n ASP 49 Cb 0.46 -0.48 0.03 0.00 -0.72 0.00 0.00 41.12 40.40 1afj n ASP 49 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1afj h THR 50 N 0.00 1.56 0.00 5.18 1.35 -1.93 -3.31 112.91 115.77 1afj h THR 50 Ca 0.00 -2.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 1afj h THR 50 Cb 0.05 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1afj h THR 50 CO 0.00 0.78 0.00 0.29 -0.25 0.00 0.00 175.52 176.34 1afj n LYS 51 N -3.60 -0.48 -1.17 4.72 5.02 -0.54 -5.07 118.16 117.05 1afj n LYS 51 Ca -0.01 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 1afj n LYS 51 Cb 0.77 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 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 -0.06 0.00 0.00 7.82 0.00 0.58 -4.16 120.51 124.68 1afj n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1afj n ALA 52 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.40 0.00 -0.39 0.00 7.64 -1.26 -3.99 113.62 114.22 1afj n SER 53 Ca 0.00 0.00 0.32 0.00 1.01 0.00 0.00 58.87 60.20 1afj n SER 53 Cb 0.00 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 63.79 1afj n SER 53 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1afj h VAL 54 N 0.05 0.15 -0.23 0.44 -1.51 -1.97 0.95 116.25 114.12 1afj h VAL 54 Ca 0.00 -0.04 -0.02 0.00 -1.23 0.00 0.00 66.70 65.41 1afj h VAL 54 Cb 0.00 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.15 1afj h VAL 54 CO 0.00 0.02 0.07 -0.61 -1.23 0.00 0.00 177.57 175.83 1afj h GLN 55 N 0.13 0.36 0.00 5.19 4.15 -1.99 -2.20 115.11 120.76 1afj h GLN 55 Ca 0.80 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 60.13 1afj h GLN 55 Cb 2.26 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.89 1afj h GLN 55 CO -0.54 0.45 -0.07 0.87 -1.93 0.00 0.00 178.83 177.60 1afj h LYS 56 N 0.21 0.00 0.21 1.69 1.57 0.50 0.89 116.57 121.65 1afj h LYS 56 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1afj h LYS 56 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1afj h LYS 56 CO -0.00 0.07 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.78 1afj h LEU 57 N 0.00 -0.24 -1.96 2.94 3.38 -0.58 0.86 115.31 119.71 1afj h LEU 57 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1afj h LEU 57 Cb 0.13 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1afj h LEU 57 CO 0.01 0.06 0.00 0.74 0.09 0.00 0.00 178.44 179.34 1afj h THR 58 N -0.56 0.00 0.00 0.22 2.02 -0.94 -0.10 112.91 113.55 1afj h THR 58 Ca -0.03 -0.18 -0.17 0.00 0.77 0.00 0.00 66.41 66.80 1afj h THR 58 Cb 0.42 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1afj h THR 58 CO 0.05 0.00 -0.83 0.50 0.37 0.00 0.00 175.52 175.61 1afj h LYS 59 N 0.00 0.00 -0.18 6.66 3.64 0.13 -0.17 116.57 126.66 1afj h LYS 59 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1afj h LYS 59 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1afj h LYS 59 CO 0.00 0.77 -0.38 0.00 -2.27 0.00 0.00 179.45 177.57 1afj h ALA 60 N 1.21 0.28 -0.10 5.00 0.00 0.11 -0.23 119.26 125.54 1afj h ALA 60 Ca -0.02 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 1afj h ALA 60 Cb 1.62 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1afj h ALA 60 CO 0.10 0.37 -0.72 0.00 0.00 0.00 0.00 179.25 179.00 1afj h THR 61 N 0.23 1.36 -0.25 0.00 1.03 -1.56 0.13 112.91 113.85 1afj h THR 61 Ca 0.00 -2.09 0.03 0.00 -0.01 0.00 0.00 66.41 64.35 1afj h THR 61 Cb 0.98 2.06 -0.01 0.00 -1.07 0.00 0.00 68.15 70.11 1afj h THR 61 CO 0.08 0.63 0.17 0.00 -0.01 0.00 0.00 175.52 176.40 1afj h ALA 62 N 0.90 2.00 0.00 0.00 0.00 -0.89 0.17 119.26 121.45 1afj h ALA 62 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1afj h ALA 62 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1afj h ALA 62 CO 0.13 -0.04 -0.86 -3.47 0.00 0.00 0.00 179.25 175.00 1afj n ASP 63 N -4.49 0.71 0.23 0.00 -0.08 -0.11 -3.57 116.55 109.24 1afj n ASP 63 Ca 0.02 0.10 0.15 0.00 -1.51 0.00 0.00 54.79 53.55 1afj n ASP 63 Cb 0.19 0.44 0.51 0.00 2.34 0.00 0.00 41.12 44.59 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 2.36 1.00 0.00 -1.67 0.00 0.20 -3.45 119.26 117.70 1afj h ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1afj h ALA 64 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1afj h ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1afj n GLY 65 N 0.40 1.83 2.50 0.00 0.00 -0.82 -5.05 105.19 104.05 1afj n GLY 65 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 0.67 -0.71 1.61 2.02 -0.56 -4.90 117.35 113.48 1afj s TYR 66 Ca 0.00 -1.43 -0.25 0.00 -0.37 0.00 0.00 57.07 55.02 1afj s TYR 66 Cb 0.00 -0.96 -0.14 0.00 -0.40 0.00 0.00 41.96 40.45 1afj s TYR 66 CO 0.00 -0.83 2.43 -2.30 -1.57 0.00 0.00 175.55 173.28 1afj n PRO 67 N 4.41 0.62 0.00 -1.71 -0.02 -1.26 -3.47 135.00 133.57 1afj n PRO 67 Ca 0.06 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1afj n PRO 67 Cb 0.39 -2.99 0.00 0.00 -0.02 0.00 0.00 33.50 30.88 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 14.95 0.76 -0.71 2.55 3.41 -1.26 -3.92 113.62 129.41 1afj n SER 68 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1afj n SER 68 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.00 0.00 -3.95 4.04 2.88 0.13 -4.91 113.62 111.81 1afj n SER 69 Ca 0.00 -0.71 -0.11 0.00 -1.33 0.00 0.00 58.87 56.73 1afj n SER 69 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 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 -2.45 0.13 -0.40 2.46 0.11 -1.26 -2.34 120.40 116.65 1afj s VAL 70 Ca 0.00 -0.61 0.09 0.00 -2.93 0.00 0.00 61.98 58.53 1afj s VAL 70 Cb 0.00 -0.22 0.38 0.00 -1.53 0.00 0.00 36.38 35.01 1afj s VAL 70 CO 0.00 -0.30 1.34 2.29 -3.33 0.00 0.00 175.10 175.10 1afj n LYS 71 N 2.11 1.16 0.00 1.54 2.85 -1.03 -4.89 118.16 119.90 1afj n LYS 71 Ca -0.20 -1.78 0.00 0.00 -1.05 0.00 0.00 58.31 55.28 1afj n LYS 71 Cb 0.57 -0.06 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 1afj n LYS 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35