#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 -0.49 0.18 0.00 -4.23 -1.25 -2.30 115.64 107.56 1afj s THR 2 Ca 0.00 -0.86 0.09 0.00 -1.18 0.00 0.00 61.69 59.73 1afj s THR 2 Cb 0.00 -0.50 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 1afj s THR 2 CO 0.00 -0.45 -0.08 -1.10 -0.54 0.00 0.00 174.62 172.44 1afj s GLN 3 N 1.40 2.11 0.20 3.99 -1.52 -0.41 -4.86 119.66 120.56 1afj s GLN 3 Ca 0.18 -1.26 0.07 0.00 -1.95 0.00 0.00 55.36 52.40 1afj s GLN 3 Cb -0.11 -2.18 -0.05 0.00 -0.22 0.00 0.00 33.01 30.46 1afj s GLN 3 CO -0.04 0.43 -0.13 0.99 -0.25 0.00 0.00 175.29 176.29 1afj s THR 4 N -1.75 1.61 0.15 -0.19 2.01 -1.26 -0.90 115.64 115.32 1afj s THR 4 Ca 0.25 -2.18 -0.25 0.00 0.31 0.00 0.00 61.69 59.83 1afj s THR 4 Cb -0.09 -2.03 0.07 0.00 0.01 0.00 0.00 72.50 70.46 1afj s THR 4 CO 0.16 -0.61 0.98 0.54 -0.69 0.00 0.00 174.62 174.99 1afj s VAL 5 N -3.05 0.00 0.32 3.82 0.11 -0.53 -4.82 120.40 116.24 1afj s VAL 5 Ca 0.22 -0.65 0.08 0.00 -2.93 0.00 0.00 61.98 58.69 1afj s VAL 5 Cb 0.00 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.75 1afj s VAL 5 CO 0.06 0.00 0.18 0.42 -3.33 0.00 0.00 175.10 172.43 1afj s THR 6 N -3.17 3.44 0.02 5.04 -4.23 -1.26 -0.99 115.64 114.49 1afj s THR 6 Ca 0.13 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1afj s THR 6 Cb -0.01 -3.09 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1afj s THR 6 CO 0.02 -0.23 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.05 1afj s LEU 7 N -3.87 2.11 -0.41 4.79 1.02 0.37 -1.77 118.68 120.92 1afj s LEU 7 Ca 0.37 -0.29 -0.02 0.00 0.02 0.00 0.00 54.13 54.21 1afj s LEU 7 Cb -0.05 -0.25 0.11 0.00 0.02 0.00 0.00 46.19 46.03 1afj s LEU 7 CO 0.24 -0.04 0.20 0.00 0.02 0.00 0.00 176.35 176.77 1afj s ALA 8 N -0.65 3.15 -0.76 4.21 0.00 -0.99 -1.52 121.76 125.19 1afj s ALA 8 Ca -0.03 -2.58 -0.03 0.00 0.00 0.00 0.00 51.96 49.33 1afj s ALA 8 Cb -0.05 -2.38 0.19 0.00 0.00 0.00 0.00 23.12 20.88 1afj s ALA 8 CO 0.00 -1.81 0.62 0.54 0.00 0.00 0.00 175.76 175.11 1afj s VAL 9 N 1.05 4.09 -1.37 0.00 0.11 -1.25 -0.24 120.40 122.79 1afj s VAL 9 Ca 0.09 -3.40 0.07 0.00 -2.93 0.00 0.00 61.98 55.81 1afj s VAL 9 Cb -0.22 -3.59 0.12 0.00 -1.53 0.00 0.00 36.38 31.15 1afj s VAL 9 CO -0.05 -0.99 1.11 -0.81 -3.33 0.00 0.00 175.10 171.04 1afj n PRO 10 N 2.93 0.09 0.00 1.54 -0.04 -1.26 -2.17 135.00 136.08 1afj n PRO 10 Ca 0.15 0.24 0.10 0.00 -0.04 0.00 0.00 63.50 63.95 1afj n PRO 10 Cb 0.38 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 32.94 1afj n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1afj n GLY 11 N -0.69 -0.79 4.02 0.55 0.00 -1.26 -4.78 105.19 102.23 1afj n GLY 11 Ca 0.03 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1afj n GLY 11 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1afj s MET 12 N -2.00 2.56 0.00 1.61 0.23 -0.92 -4.86 119.30 115.92 1afj s MET 12 Ca 0.30 -1.37 0.00 0.00 -1.03 0.00 0.00 55.69 53.59 1afj s MET 12 Cb 0.14 -2.68 0.00 0.00 -1.53 0.00 0.00 34.83 30.75 1afj s MET 12 CO 0.23 -0.58 0.01 -2.37 -2.03 0.00 0.00 175.02 170.29 1afj n THR 13 N -2.07 0.00 -3.02 3.16 5.66 -1.26 -4.87 114.28 111.87 1afj n THR 13 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1afj n THR 13 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 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 0.00 6.64 -1.50 0.00 0.00 -1.26 -3.71 120.51 120.68 1afj n ALA 15 Ca 0.00 -2.77 -0.01 0.00 0.00 0.00 0.00 53.44 50.66 1afj n ALA 15 Cb 0.00 -2.47 -0.01 0.00 0.00 0.00 0.00 19.45 16.97 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 2.02 0.59 0.02 0.00 0.00 -1.26 -5.00 120.51 116.88 1afj n ALA 16 Ca 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1afj n ALA 16 Cb 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 -0.01 0.00 0.00 0.13 -1.84 -3.01 132.00 127.27 1afj h PRO 18 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1afj h PRO 18 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1afj h PRO 18 CO 0.00 0.67 -0.15 0.82 -0.23 0.00 0.00 178.00 179.11 1afj h ILE 19 N -0.71 0.65 0.00 -3.56 2.04 -1.80 -0.45 117.51 113.68 1afj h ILE 19 Ca -0.00 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1afj h ILE 19 Cb 0.69 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1afj h ILE 19 CO 0.00 0.15 -0.06 0.74 0.00 0.00 0.00 178.15 178.99 1afj h THR 20 N 0.00 0.43 -0.06 -0.27 2.02 -1.82 0.15 112.91 113.36 1afj h THR 20 Ca -0.00 -0.27 -0.16 0.00 0.77 0.00 0.00 66.41 66.75 1afj h THR 20 Cb 0.40 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1afj h THR 20 CO 0.02 0.05 -0.66 0.58 0.37 0.00 0.00 175.52 175.88 1afj h VAL 21 N 0.00 1.40 -0.56 3.16 2.07 -0.95 -2.41 116.25 118.97 1afj h VAL 21 Ca -0.00 -2.10 0.01 0.00 0.82 0.00 0.00 66.70 65.43 1afj h VAL 21 Cb 0.18 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1afj h VAL 21 CO 0.01 0.62 0.37 0.50 0.02 0.00 0.00 177.57 179.09 1afj h LYS 22 N 0.18 0.72 -0.31 1.57 3.64 -0.73 -0.12 116.57 121.51 1afj h LYS 22 Ca -0.01 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 1afj h LYS 22 Cb 1.19 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1afj h LYS 22 CO 0.10 0.47 -0.38 -0.22 -2.27 0.00 0.00 179.45 177.16 1afj h LYS 23 N 0.74 0.73 0.59 1.90 3.11 -1.24 -2.06 116.57 120.33 1afj h LYS 23 Ca 0.21 -0.37 -0.03 0.00 -2.81 0.00 0.00 60.65 57.65 1afj h LYS 23 Cb -0.05 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.19 1afj h LYS 23 CO -0.05 0.99 -0.28 0.00 -2.81 0.00 0.00 179.45 177.30 1afj h ALA 24 N 0.97 -0.79 -0.23 5.00 0.00 -0.61 -1.28 119.26 122.33 1afj h ALA 24 Ca 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1afj h ALA 24 Cb 0.91 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1afj h ALA 24 CO 0.08 -0.91 -0.04 -0.07 0.00 0.00 0.00 179.25 178.31 1afj h LEU 25 N -0.85 0.32 -1.71 0.00 4.07 -1.39 1.38 115.31 117.14 1afj h LEU 25 Ca -0.08 -0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 1afj h LEU 25 Cb 0.63 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 1afj h LEU 25 CO 0.13 0.41 -0.01 0.77 -1.08 0.00 0.00 178.44 178.67 1afj h SER 26 N 0.34 0.00 0.00 -0.43 4.64 -1.14 -2.67 113.55 114.28 1afj h SER 26 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1afj h SER 26 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1afj h SER 26 CO 0.01 0.01 0.00 1.17 -0.87 0.00 0.00 176.83 177.15 1afj n LYS 27 N -3.11 1.73 -0.07 4.77 0.00 -0.20 -4.76 118.16 116.53 1afj n LYS 27 Ca -0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 58.31 57.06 1afj n LYS 27 Cb 0.27 -1.00 -0.01 0.00 0.00 0.00 0.00 35.03 34.29 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 0.01 0.79 0.00 3.15 3.04 0.21 -3.48 116.25 119.98 1afj h VAL 28 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1afj h VAL 28 Cb 0.34 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1afj h VAL 28 CO 0.00 0.01 0.00 -0.62 -1.01 0.00 0.00 177.57 175.95 1afj n GLU 29 N -5.16 0.00 -0.29 4.17 1.02 -1.26 -4.94 120.64 114.17 1afj n GLU 29 Ca -0.01 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.22 1afj n GLU 29 Cb 0.14 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 31.81 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 1.59 3.49 0.62 0.00 -1.26 -4.97 105.19 104.66 1afj n GLY 30 Ca 0.00 -0.59 -0.54 0.00 0.00 0.00 0.00 46.02 44.89 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 1.06 0.71 0.09 1.61 3.14 -1.26 -2.89 118.33 120.79 1afj n VAL 31 Ca 0.18 -0.18 0.05 0.00 -2.96 0.00 0.00 64.34 61.44 1afj n VAL 31 Cb 0.48 -0.19 -0.08 0.00 -1.06 0.00 0.00 33.84 32.99 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 1.78 2.16 -3.47 6.55 2.88 -0.61 -4.86 113.62 118.04 1afj n SER 32 Ca 0.18 -0.14 -0.11 0.00 -1.33 0.00 0.00 58.87 57.47 1afj n SER 32 Cb 0.16 1.39 -0.03 0.00 -0.75 0.00 0.00 64.21 64.99 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 -2.59 1.02 -0.17 -1.46 2.20 -1.07 -4.95 119.74 112.72 1afj s LYS 33 Ca -0.02 -0.29 -0.22 0.00 -0.36 0.00 0.00 55.97 55.08 1afj s LYS 33 Cb 0.07 0.47 0.06 0.00 -1.51 0.00 0.00 37.83 36.92 1afj s LYS 33 CO 0.44 -0.43 0.57 0.08 -0.36 0.00 0.00 175.35 175.65 1afj s VAL 34 N -3.07 0.01 0.05 4.02 1.01 -1.26 -1.58 120.40 119.59 1afj s VAL 34 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1afj s VAL 34 Cb -0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1afj s VAL 34 CO -0.08 -0.03 0.03 -1.81 0.00 0.00 0.00 175.10 173.21 1afj s ASP 35 N -0.11 0.36 0.24 3.32 1.11 0.35 -4.99 116.67 116.95 1afj s ASP 35 Ca -0.03 -0.83 -0.15 0.00 0.18 0.00 0.00 52.55 51.71 1afj s ASP 35 Cb -0.03 0.23 0.01 0.00 1.07 0.00 0.00 42.92 44.19 1afj s ASP 35 CO 0.03 -0.60 0.53 0.54 1.18 0.00 0.00 175.17 176.85 1afj s VAL 36 N -3.58 0.01 -0.21 -1.27 0.11 -1.26 -0.95 120.40 113.25 1afj s VAL 36 Ca 0.04 -1.21 -0.01 0.00 -2.93 0.00 0.00 61.98 57.86 1afj s VAL 36 Cb 0.05 -2.04 0.06 0.00 -1.53 0.00 0.00 36.38 32.92 1afj s VAL 36 CO -0.09 -0.03 -0.01 -0.83 -3.33 0.00 0.00 175.10 170.81 1afj s GLY 37 N -2.97 0.99 0.00 6.54 0.00 0.22 -4.93 107.32 107.17 1afj s GLY 37 Ca 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1afj s GLY 37 CO 0.06 1.15 0.00 1.97 0.00 0.00 0.00 173.10 176.28 1afj n PHE 38 N 4.86 0.00 -0.29 1.90 -1.74 -1.26 -2.46 117.46 118.47 1afj n PHE 38 Ca -0.11 0.00 0.22 0.00 -0.56 0.00 0.00 57.45 57.01 1afj n PHE 38 Cb 0.46 0.00 0.35 0.00 1.52 0.00 0.00 39.48 41.81 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 -0.02 3.97 2.13 -1.26 0.12 120.64 125.57 1afj n GLU 39 Ca 0.00 0.49 -0.00 0.00 0.66 0.00 0.00 57.16 58.30 1afj n GLU 39 Cb 0.00 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 30.62 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 -2.97 1.03 -0.41 5.31 5.02 -1.25 -4.76 118.16 120.14 1afj n LYS 40 Ca 0.19 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1afj n LYS 40 Cb 0.85 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 1afj n LYS 40 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1afj n ARG 41 N 0.37 0.00 -3.15 1.97 -4.01 0.32 -4.85 116.66 107.32 1afj n ARG 41 Ca 0.01 0.00 0.05 0.00 -1.04 0.00 0.00 57.85 56.87 1afj n ARG 41 Cb 0.47 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.87 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 0.00 0.41 -0.18 2.89 2.12 -1.03 -3.85 118.70 119.06 1afj s GLU 42 Ca 0.00 0.71 -0.03 0.00 0.36 0.00 0.00 54.97 56.01 1afj s GLU 42 Cb 0.00 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.77 1afj s GLU 42 CO 0.00 -0.46 -0.05 0.00 -0.54 0.00 0.00 175.26 174.21 1afj s ALA 43 N 2.90 2.86 -0.29 6.30 0.00 -0.58 0.73 121.76 133.67 1afj s ALA 43 Ca 0.12 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 1afj s ALA 43 Cb -0.13 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.43 1afj s ALA 43 CO -0.17 -0.09 0.06 0.54 0.00 0.00 0.00 175.76 176.10 1afj s VAL 44 N 0.90 3.77 0.08 0.00 0.11 -0.12 0.14 120.40 125.27 1afj s VAL 44 Ca -0.01 -0.80 0.06 0.00 -2.93 0.00 0.00 61.98 58.30 1afj s VAL 44 Cb -0.15 -2.96 -0.03 0.00 -1.53 0.00 0.00 36.38 31.71 1afj s VAL 44 CO 0.01 0.06 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.99 1afj s VAL 45 N 1.46 1.36 0.27 2.04 1.01 -0.16 -0.50 120.40 125.88 1afj s VAL 45 Ca 0.02 -1.40 0.09 0.00 0.00 0.00 0.00 61.98 60.68 1afj s VAL 45 Cb -0.17 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1afj s VAL 45 CO 0.01 -0.16 0.02 -0.89 0.00 0.00 0.00 175.10 174.08 1afj s THR 46 N -1.23 3.49 0.02 3.92 2.01 -0.61 -1.46 115.64 121.77 1afj s THR 46 Ca 0.01 -1.86 -0.04 0.00 0.31 0.00 0.00 61.69 60.12 1afj s THR 46 Cb -0.10 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.53 1afj s THR 46 CO 0.03 -0.36 0.17 2.22 -0.69 0.00 0.00 174.62 175.99 1afj n PHE 47 N -0.93 -0.50 -3.93 4.92 1.16 -0.07 -1.57 117.46 116.53 1afj n PHE 47 Ca -0.06 -0.16 -0.36 0.00 -1.87 0.00 0.00 57.45 55.01 1afj n PHE 47 Cb 0.59 0.08 -0.12 0.00 -1.61 0.00 0.00 39.48 38.42 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 -1.38 5.11 0.00 5.98 1.11 -1.14 -1.28 116.67 125.06 1afj s ASP 48 Ca 0.04 -0.15 0.12 0.00 0.18 0.00 0.00 52.55 52.74 1afj s ASP 48 Cb -0.00 -1.89 0.73 0.00 1.07 0.00 0.00 42.92 42.82 1afj s ASP 48 CO 0.00 0.04 1.20 -0.90 1.18 0.00 0.00 175.17 176.69 1afj n ASP 49 N 4.42 0.00 0.04 0.27 5.68 -0.97 -1.20 116.55 124.79 1afj n ASP 49 Ca -0.17 -0.80 -0.13 0.00 -0.50 0.00 0.00 54.79 53.19 1afj n ASP 49 Cb 0.52 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.36 1afj n ASP 49 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1afj h THR 50 N 0.00 1.17 -0.00 2.12 1.35 -1.93 -3.38 112.91 112.24 1afj h THR 50 Ca 0.00 -2.88 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 1afj h THR 50 Cb 0.00 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1afj h THR 50 CO 0.00 0.77 -0.02 0.29 -0.25 0.00 0.00 175.52 176.31 1afj n LYS 51 N -3.33 2.48 -2.37 4.72 5.02 -1.11 -5.06 118.16 118.51 1afj n LYS 51 Ca -0.14 -0.32 -0.05 0.00 -2.02 0.00 0.00 58.31 55.79 1afj n LYS 51 Cb 1.02 -0.81 -0.01 0.00 -0.02 0.00 0.00 35.03 35.21 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 -0.42 0.00 0.00 7.82 0.00 -0.34 -4.12 120.51 123.46 1afj n ALA 52 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1afj n ALA 52 Cb 0.02 0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1afj n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afj n SER 53 N -2.21 0.00 -0.49 0.00 2.88 -1.26 -4.09 113.62 108.45 1afj n SER 53 Ca 0.01 0.00 0.41 0.00 -1.33 0.00 0.00 58.87 57.96 1afj n SER 53 Cb 0.17 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.35 1afj n SER 53 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1afj h VAL 54 N 0.06 0.18 -0.15 2.46 -1.51 -1.95 1.08 116.25 116.41 1afj h VAL 54 Ca 0.00 -0.02 -0.04 0.00 -1.23 0.00 0.00 66.70 65.41 1afj h VAL 54 Cb 0.00 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.27 1afj h VAL 54 CO 0.00 0.01 -0.07 -0.61 -1.23 0.00 0.00 177.57 175.68 1afj h GLN 55 N 0.06 0.31 0.00 5.19 4.15 -1.99 -2.49 115.11 120.34 1afj h GLN 55 Ca 0.78 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 60.05 1afj h GLN 55 Cb 2.82 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 30.49 1afj h GLN 55 CO -0.18 0.62 -0.09 0.87 -1.93 0.00 0.00 178.83 178.12 1afj h LYS 56 N -0.02 0.00 0.14 1.69 1.57 0.78 -0.01 116.57 120.72 1afj h LYS 56 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1afj h LYS 56 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1afj h LYS 56 CO 0.02 0.09 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.85 1afj h LEU 57 N 0.00 -0.16 -2.28 2.94 3.38 -0.83 0.49 115.31 118.85 1afj h LEU 57 Ca -0.00 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1afj h LEU 57 Cb 0.24 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1afj h LEU 57 CO 0.01 0.35 -0.05 0.74 0.09 0.00 0.00 178.44 179.59 1afj h THR 58 N -0.74 0.46 0.00 0.22 2.02 -1.16 0.07 112.91 113.78 1afj h THR 58 Ca -0.02 -0.23 -0.18 0.00 0.77 0.00 0.00 66.41 66.75 1afj h THR 58 Cb 0.53 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1afj h THR 58 CO 0.03 0.05 -0.84 0.50 0.37 0.00 0.00 175.52 175.63 1afj h LYS 59 N 0.00 0.00 -0.25 6.66 3.64 -0.77 -0.85 116.57 125.00 1afj h LYS 59 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1afj h LYS 59 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1afj h LYS 59 CO 0.01 0.84 -0.06 0.00 -2.27 0.00 0.00 179.45 177.97 1afj h ALA 60 N 1.16 0.34 -0.19 5.00 0.00 0.11 0.22 119.26 125.91 1afj h ALA 60 Ca -0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 1afj h ALA 60 Cb 1.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1afj h ALA 60 CO 0.11 0.14 -0.65 0.00 0.00 0.00 0.00 179.25 178.85 1afj h THR 61 N 0.22 1.30 -0.11 0.00 1.03 -1.54 0.13 112.91 113.95 1afj h THR 61 Ca 0.06 -1.89 0.03 0.00 -0.01 0.00 0.00 66.41 64.61 1afj h THR 61 Cb 0.52 1.85 -0.00 0.00 -1.07 0.00 0.00 68.15 69.45 1afj h THR 61 CO 0.02 0.60 0.09 0.00 -0.01 0.00 0.00 175.52 176.22 1afj h ALA 62 N 0.76 1.91 0.00 0.00 0.00 -0.94 0.21 119.26 121.20 1afj h ALA 62 Ca -0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1afj h ALA 62 Cb 1.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1afj h ALA 62 CO 0.13 -0.15 -1.08 -3.47 0.00 0.00 0.00 179.25 174.69 1afj n ASP 63 N -4.19 0.83 0.20 0.00 2.03 0.76 -3.56 116.55 112.62 1afj n ASP 63 Ca -0.00 0.33 0.14 0.00 0.52 0.00 0.00 54.79 55.78 1afj n ASP 63 Cb 0.20 0.45 0.53 0.00 -0.72 0.00 0.00 41.12 41.59 1afj n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afj h ALA 64 N 1.93 1.00 0.00 -1.67 0.00 0.21 -3.45 119.26 117.28 1afj h ALA 64 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1afj h ALA 64 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1afj h ALA 64 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1afj n GLY 65 N 0.26 1.88 2.51 0.00 0.00 -0.80 -5.08 105.19 103.97 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 0.80 -0.71 1.61 2.02 -0.52 -4.97 117.35 113.58 1afj s TYR 66 Ca 0.00 -1.55 -0.25 0.00 -0.37 0.00 0.00 57.07 54.89 1afj s TYR 66 Cb 0.00 -1.04 -0.14 0.00 -0.40 0.00 0.00 41.96 40.38 1afj s TYR 66 CO 0.00 -0.83 2.45 -2.30 -1.57 0.00 0.00 175.55 173.30 1afj n PRO 67 N 4.27 0.62 -1.07 -1.71 -0.02 -1.26 -3.34 135.00 132.49 1afj n PRO 67 Ca 0.08 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1afj n PRO 67 Cb 0.38 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 30.95 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 14.61 0.88 -0.77 2.55 2.88 -1.26 -4.21 113.62 128.30 1afj n SER 68 Ca 0.48 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1afj n SER 68 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1afj n SER 68 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1afj n SER 69 N -1.57 0.00 -3.96 -3.46 7.64 0.67 -4.92 113.62 108.01 1afj n SER 69 Ca 0.00 -0.77 -0.09 0.00 1.01 0.00 0.00 58.87 59.02 1afj n SER 69 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1afj n SER 69 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1afj s VAL 70 N -1.94 0.15 -0.39 0.44 0.11 -1.26 -2.35 120.40 115.16 1afj s VAL 70 Ca 0.00 -1.22 0.11 0.00 -2.93 0.00 0.00 61.98 57.94 1afj s VAL 70 Cb 0.00 -0.99 0.39 0.00 -1.53 0.00 0.00 36.38 34.25 1afj s VAL 70 CO 0.00 -0.67 1.10 2.29 -3.33 0.00 0.00 175.10 174.49 1afj n LYS 71 N 0.66 1.11 0.00 1.54 2.85 -0.73 -4.88 118.16 118.71 1afj n LYS 71 Ca -0.18 -2.46 0.00 0.00 -1.05 0.00 0.00 58.31 54.62 1afj n LYS 71 Cb 0.59 -0.83 0.00 0.00 -0.65 0.00 0.00 35.03 34.14 1afj n LYS 71 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29