#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 -0.61 0.12 0.00 -4.23 -1.25 -1.67 115.64 108.00 1afj s THR 2 Ca 0.00 -0.77 0.07 0.00 -1.18 0.00 0.00 61.69 59.81 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 -0.34 -0.17 -1.10 -0.54 0.00 0.00 174.62 172.47 1afj s GLN 3 N 1.38 1.10 0.19 3.99 -0.21 0.34 -4.83 119.66 121.62 1afj s GLN 3 Ca 0.20 -1.23 0.11 0.00 0.02 0.00 0.00 55.36 54.45 1afj s GLN 3 Cb -0.08 -1.15 -0.04 0.00 1.00 0.00 0.00 33.01 32.74 1afj s GLN 3 CO -0.06 0.24 -0.20 -0.08 -2.12 0.00 0.00 175.29 173.08 1afj s THR 4 N -1.75 2.61 0.24 -0.19 -1.32 -1.26 -1.20 115.64 112.77 1afj s THR 4 Ca 0.09 -1.92 -0.06 0.00 -1.21 0.00 0.00 61.69 58.59 1afj s THR 4 Cb -0.07 -2.27 -0.02 0.00 -1.51 0.00 0.00 72.50 68.63 1afj s THR 4 CO 0.04 -0.11 0.31 0.68 -2.21 0.00 0.00 174.62 173.33 1afj s VAL 5 N -1.68 0.00 0.20 5.08 -7.23 0.08 -4.90 120.40 111.94 1afj s VAL 5 Ca 0.22 -1.71 0.07 0.00 -1.81 0.00 0.00 61.98 58.75 1afj s VAL 5 Cb -0.08 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1afj s VAL 5 CO 0.11 0.00 0.08 0.28 -0.31 0.00 0.00 175.10 175.26 1afj s THR 6 N -3.99 4.06 0.04 5.32 -1.32 -1.24 -1.06 115.64 117.45 1afj s THR 6 Ca 0.31 -1.38 0.03 0.00 -1.21 0.00 0.00 61.69 59.45 1afj s THR 6 Cb 0.03 -3.10 -0.02 0.00 -1.51 0.00 0.00 72.50 67.90 1afj s THR 6 CO 0.12 -0.19 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.48 1afj s LEU 7 N -3.26 2.21 -0.26 9.08 1.02 0.40 -1.59 118.68 126.28 1afj s LEU 7 Ca 0.30 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.96 1afj s LEU 7 Cb -0.09 -0.34 0.04 0.00 0.02 0.00 0.00 46.19 45.82 1afj s LEU 7 CO 0.21 -0.09 -0.07 0.00 0.02 0.00 0.00 176.35 176.42 1afj s ALA 8 N -1.10 2.66 -0.89 4.21 0.00 -0.69 -1.21 121.76 124.75 1afj s ALA 8 Ca -0.04 -1.64 -0.00 0.00 0.00 0.00 0.00 51.96 50.27 1afj s ALA 8 Cb -0.09 -1.70 0.26 0.00 0.00 0.00 0.00 23.12 21.60 1afj s ALA 8 CO 0.01 -1.05 1.03 0.28 0.00 0.00 0.00 175.76 176.02 1afj n VAL 9 N 4.57 3.67 0.12 0.00 0.31 -1.25 -0.84 118.33 124.92 1afj n VAL 9 Ca -0.15 -5.45 0.07 0.00 -0.01 0.00 0.00 64.34 58.81 1afj n VAL 9 Cb 0.44 -2.19 0.40 0.00 -0.91 0.00 0.00 33.84 31.58 1afj n VAL 9 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1afj n PRO 10 N 1.50 0.09 -0.09 5.55 -0.04 -1.26 -0.97 135.00 139.79 1afj n PRO 10 Ca 0.26 0.58 0.01 0.00 -0.04 0.00 0.00 63.50 64.31 1afj n PRO 10 Cb 0.37 -1.86 0.05 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.34 0.63 0.00 0.55 0.00 -1.26 -4.82 105.19 98.96 1afj n GLY 11 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1afj n GLY 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1afj n MET 12 N -0.06 1.81 0.00 1.61 0.00 -0.14 -4.78 117.12 115.55 1afj n MET 12 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1afj n MET 12 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.46 1afj n MET 12 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1afj n THR 13 N -0.55 0.00 -1.49 3.17 5.66 -1.26 -4.92 114.28 114.90 1afj n THR 13 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1afj n THR 13 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -3.00 5.04 0.00 0.00 0.00 -1.26 -3.53 120.51 117.76 1afj n ALA 15 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1afj n ALA 15 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 1.11 1.19 -0.04 0.00 0.00 -1.26 -4.77 120.51 116.75 1afj n ALA 16 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.45 1afj n ALA 16 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.38 0.43 -0.91 0.00 0.13 -1.78 -3.13 132.00 126.35 1afj h PRO 18 Ca -0.39 -0.46 0.10 0.00 -0.87 0.00 0.00 66.00 64.38 1afj h PRO 18 Cb 1.73 0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.92 1afj h PRO 18 CO -0.04 1.12 0.59 0.97 -0.23 0.00 0.00 178.00 180.41 1afj h ILE 19 N -0.07 0.95 0.00 -3.56 2.10 -1.76 0.29 117.51 115.46 1afj h ILE 19 Ca -0.08 -0.31 -0.01 0.00 1.08 0.00 0.00 64.86 65.54 1afj h ILE 19 Cb 1.35 -0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 37.06 1afj h ILE 19 CO 0.13 0.16 -0.05 0.74 -1.08 0.00 0.00 178.15 178.04 1afj h THR 20 N 0.89 0.42 -0.08 2.19 2.02 -1.49 0.82 112.91 117.68 1afj h THR 20 Ca 0.43 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 1afj h THR 20 Cb 0.44 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1afj h THR 20 CO -0.19 0.05 -0.44 0.58 0.37 0.00 0.00 175.52 175.89 1afj h VAL 21 N 0.00 1.32 -0.43 3.16 2.07 -0.37 -1.06 116.25 120.95 1afj h VAL 21 Ca -0.00 -1.58 -0.10 0.00 0.82 0.00 0.00 66.70 65.84 1afj h VAL 21 Cb 0.18 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1afj h VAL 21 CO 0.01 0.47 -0.13 0.50 0.02 0.00 0.00 177.57 178.44 1afj h LYS 22 N 0.15 0.85 0.00 1.57 3.64 -0.74 -1.98 116.57 120.05 1afj h LYS 22 Ca 0.01 -0.34 -0.04 0.00 -1.27 0.00 0.00 60.65 59.02 1afj h LYS 22 Cb 0.84 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1afj h LYS 22 CO 0.07 0.97 -0.18 -0.22 -2.27 0.00 0.00 179.45 177.81 1afj h LYS 23 N 0.67 0.00 0.22 1.90 3.11 -1.19 -2.60 116.57 118.69 1afj h LYS 23 Ca 0.11 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 1afj h LYS 23 Cb 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1afj h LYS 23 CO 0.05 0.18 -0.11 0.00 -2.81 0.00 0.00 179.45 176.76 1afj h ALA 24 N 1.82 -0.30 -0.61 5.00 0.00 -0.49 -1.32 119.26 123.34 1afj h ALA 24 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1afj h ALA 24 Cb 0.52 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1afj h ALA 24 CO 0.02 -0.40 0.41 -0.07 0.00 0.00 0.00 179.25 179.21 1afj h LEU 25 N -0.83 0.68 -1.01 0.00 3.38 -1.35 0.62 115.31 116.80 1afj h LEU 25 Ca -0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1afj h LEU 25 Cb 0.51 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1afj h LEU 25 CO 0.05 0.49 -0.17 -1.28 0.09 0.00 0.00 178.44 177.62 1afj h SER 26 N 0.80 0.00 -0.01 -0.43 0.87 -1.47 -2.79 113.55 110.52 1afj h SER 26 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1afj h SER 26 Cb -0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1afj h SER 26 CO -0.05 0.17 -0.55 1.17 -0.53 0.00 0.00 176.83 177.04 1afj n LYS 27 N -3.28 1.11 0.00 2.24 0.00 0.09 -4.67 118.16 113.64 1afj n LYS 27 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 58.31 57.51 1afj n LYS 27 Cb 0.43 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 34.01 1afj n LYS 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1afj n VAL 28 N -0.29 0.00 0.00 3.15 0.31 0.20 -4.94 118.33 116.76 1afj n VAL 28 Ca 0.08 0.94 0.00 0.00 -0.01 0.00 0.00 64.34 65.35 1afj n VAL 28 Cb 0.43 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1afj n VAL 28 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1afj n GLU 29 N -0.73 0.00 -0.02 5.55 2.13 -1.26 -4.95 120.64 121.36 1afj n GLU 29 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1afj n GLU 29 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 1afj n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1afj n GLY 30 N 0.00 -0.75 3.59 8.31 0.00 -1.26 -4.87 105.19 110.22 1afj n GLY 30 Ca 0.00 -0.37 -0.60 0.00 0.00 0.00 0.00 46.02 45.05 1afj n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1afj n VAL 31 N -2.14 0.03 0.34 1.61 0.31 -1.26 -2.76 118.33 114.46 1afj n VAL 31 Ca -0.06 -0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1afj n VAL 31 Cb 0.50 -0.38 -0.04 0.00 -0.91 0.00 0.00 33.84 33.02 1afj n VAL 31 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1afj n SER 32 N 2.62 0.37 -3.82 4.52 7.64 -0.32 -4.90 113.62 119.73 1afj n SER 32 Ca 0.23 -0.68 -0.10 0.00 1.01 0.00 0.00 58.87 59.32 1afj n SER 32 Cb 0.07 0.98 -0.08 0.00 -1.01 0.00 0.00 64.21 64.18 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 -1.67 0.77 -0.21 1.43 2.20 -1.04 -4.95 119.74 116.28 1afj s LYS 33 Ca 0.03 -0.68 -0.12 0.00 -0.36 0.00 0.00 55.97 54.84 1afj s LYS 33 Cb 0.06 0.32 0.07 0.00 -1.51 0.00 0.00 37.83 36.77 1afj s LYS 33 CO 0.30 -0.24 0.52 0.54 -0.36 0.00 0.00 175.35 176.10 1afj s VAL 34 N -2.94 -0.04 -0.38 4.02 0.11 -1.26 -2.63 120.40 117.28 1afj s VAL 34 Ca -0.02 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 1afj s VAL 34 Cb 0.01 -0.76 0.16 0.00 -1.53 0.00 0.00 36.38 34.25 1afj s VAL 34 CO -0.06 0.02 0.44 -1.81 -3.33 0.00 0.00 175.10 170.36 1afj s ASP 35 N 1.53 0.53 0.00 3.54 1.11 0.13 -4.99 116.67 118.53 1afj s ASP 35 Ca -0.10 -1.46 0.00 0.00 0.18 0.00 0.00 52.55 51.17 1afj s ASP 35 Cb -0.07 0.87 0.00 0.00 1.07 0.00 0.00 42.92 44.79 1afj s ASP 35 CO -0.16 -0.23 0.00 1.33 1.18 0.00 0.00 175.17 177.29 1afj n VAL 36 N 4.20 0.00 -3.51 -1.27 0.24 -1.26 -1.45 118.33 115.29 1afj n VAL 36 Ca 0.12 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.23 1afj n VAL 36 Cb 0.48 -0.58 -0.13 0.00 -1.47 0.00 0.00 33.84 32.13 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 -0.63 0.04 0.00 7.63 0.00 0.37 -4.88 107.32 109.84 1afj s GLY 37 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.91 1afj s GLY 37 CO 0.00 2.11 0.00 0.69 0.00 0.00 0.00 173.10 175.90 1afj n PHE 38 N 5.31 0.00 0.09 1.90 3.72 -1.26 -0.32 117.46 126.90 1afj n PHE 38 Ca -0.06 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.39 1afj n PHE 38 Cb 0.49 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 39.27 1afj n PHE 38 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1afj n GLU 39 N 0.00 0.06 0.12 -1.08 -0.58 -1.23 -0.90 120.64 117.04 1afj n GLU 39 Ca 0.00 0.49 0.03 0.00 -0.42 0.00 0.00 57.16 57.26 1afj n GLU 39 Cb 0.00 -1.87 0.01 0.00 -0.57 0.00 0.00 31.44 29.01 1afj n GLU 39 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1afj h LYS 40 N 0.00 0.00 -4.40 3.49 6.56 -1.88 -3.47 116.57 116.87 1afj h LYS 40 Ca 0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 1afj h LYS 40 Cb 0.35 0.00 0.08 0.00 -0.57 0.00 0.00 32.23 32.09 1afj h LYS 40 CO 0.00 0.44 -0.32 -2.13 -2.06 0.00 0.00 179.45 175.38 1afj n ARG 41 N -3.15 -1.11 -3.33 3.15 0.00 0.56 -4.98 116.66 107.80 1afj n ARG 41 Ca 0.00 0.71 0.02 0.00 -0.00 0.00 0.00 57.85 58.58 1afj n ARG 41 Cb 0.74 -4.00 -0.02 0.00 0.00 0.00 0.00 32.46 29.18 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 -3.52 0.51 -0.29 -0.14 2.12 -1.11 -3.77 118.70 112.51 1afj s GLU 42 Ca 0.17 1.07 -0.04 0.00 0.36 0.00 0.00 54.97 56.53 1afj s GLU 42 Cb -0.02 0.62 0.02 0.00 0.26 0.00 0.00 34.13 35.01 1afj s GLU 42 CO 0.43 -0.41 0.02 0.00 -0.54 0.00 0.00 175.26 174.77 1afj s ALA 43 N 2.85 2.90 -0.19 6.30 0.00 -0.35 0.14 121.76 133.41 1afj s ALA 43 Ca 0.09 -1.54 -0.02 0.00 0.00 0.00 0.00 51.96 50.49 1afj s ALA 43 Cb -0.13 -1.98 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 1afj s ALA 43 CO -0.19 -0.99 -0.10 0.08 0.00 0.00 0.00 175.76 174.56 1afj s VAL 44 N 1.39 2.99 0.35 0.00 1.01 -0.53 0.15 120.40 125.76 1afj s VAL 44 Ca 0.00 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1afj s VAL 44 Cb -0.18 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1afj s VAL 44 CO -0.00 0.47 0.24 1.33 0.00 0.00 0.00 175.10 177.14 1afj n VAL 45 N 4.53 0.00 -4.31 2.92 0.24 -0.23 -0.69 118.33 120.80 1afj n VAL 45 Ca -0.19 -2.39 -0.18 0.00 -2.04 0.00 0.00 64.34 59.54 1afj n VAL 45 Cb 0.51 1.11 -0.10 0.00 -1.47 0.00 0.00 33.84 33.89 1afj n VAL 45 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1afj s THR 46 N -3.27 1.58 0.11 3.34 2.01 -1.08 -0.75 115.64 117.58 1afj s THR 46 Ca 0.35 -2.06 -0.25 0.00 0.31 0.00 0.00 61.69 60.04 1afj s THR 46 Cb 0.02 -1.89 0.08 0.00 0.01 0.00 0.00 72.50 70.72 1afj s THR 46 CO 0.24 -0.55 1.13 0.72 -0.69 0.00 0.00 174.62 175.47 1afj s PHE 47 N -2.76 0.05 -0.27 4.92 -0.12 -0.34 -1.18 117.98 118.28 1afj s PHE 47 Ca 0.18 -0.34 -0.07 0.00 -0.05 0.00 0.00 56.93 56.65 1afj s PHE 47 Cb -0.02 0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 43.01 1afj s PHE 47 CO 0.05 -0.67 0.07 -0.51 -0.05 0.00 0.00 175.22 174.11 1afj s ASP 48 N -3.54 5.08 0.00 1.98 1.11 -1.11 -0.50 116.67 119.68 1afj s ASP 48 Ca 0.24 -0.44 0.05 0.00 0.18 0.00 0.00 52.55 52.58 1afj s ASP 48 Cb -0.02 -1.89 0.22 0.00 1.07 0.00 0.00 42.92 42.29 1afj s ASP 48 CO 0.03 -0.11 1.10 -0.90 1.18 0.00 0.00 175.17 176.47 1afj n ASP 49 N 4.90 0.00 0.16 0.27 5.68 -0.67 -1.45 116.55 125.44 1afj n ASP 49 Ca -0.16 0.41 0.03 0.00 -0.50 0.00 0.00 54.79 54.58 1afj n ASP 49 Cb 0.50 -0.43 0.23 0.00 -1.14 0.00 0.00 41.12 40.28 1afj n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1afj h THR 50 N 0.00 1.01 0.00 2.12 1.03 -1.93 -3.33 112.91 111.81 1afj h THR 50 Ca 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 66.41 64.55 1afj h THR 50 Cb 0.07 2.11 0.00 0.00 -1.07 0.00 0.00 68.15 69.26 1afj h THR 50 CO 0.00 0.46 -0.30 0.29 -0.01 0.00 0.00 175.52 175.96 1afj n LYS 51 N -3.50 4.56 -0.90 0.00 5.02 -0.82 -5.08 118.16 117.44 1afj n LYS 51 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1afj n LYS 51 Cb 0.59 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 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 -1.08 0.00 0.00 7.82 0.00 -0.53 -4.07 120.51 122.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.24 0.00 -0.38 0.00 7.64 -1.26 -3.94 113.62 114.43 1afj n SER 53 Ca 0.00 0.00 0.31 0.00 1.01 0.00 0.00 58.87 60.19 1afj n SER 53 Cb 0.00 0.00 0.58 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.04 0.22 -0.41 0.44 3.04 -1.98 0.92 116.25 118.53 1afj h VAL 54 Ca 0.00 -0.06 -0.04 0.00 -1.01 0.00 0.00 66.70 65.58 1afj h VAL 54 Cb 0.00 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 29.28 1afj h VAL 54 CO 0.00 0.03 0.08 -0.61 -1.01 0.00 0.00 177.57 176.07 1afj h GLN 55 N 0.19 0.66 0.00 4.17 5.75 -1.99 -2.39 115.11 121.50 1afj h GLN 55 Ca 0.77 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 59.08 1afj h GLN 55 Cb 2.14 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 30.60 1afj h GLN 55 CO -0.48 0.69 -0.09 0.87 -2.65 0.00 0.00 178.83 177.16 1afj h LYS 56 N 0.52 0.00 0.24 1.69 1.57 0.46 0.17 116.57 121.22 1afj h LYS 56 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1afj h LYS 56 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1afj h LYS 56 CO 0.00 0.09 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.79 1afj h LEU 57 N 0.00 -0.28 -2.41 2.94 3.38 -0.71 0.17 115.31 118.40 1afj h LEU 57 Ca -0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1afj h LEU 57 Cb 0.45 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1afj h LEU 57 CO 0.01 0.21 -0.02 0.74 0.09 0.00 0.00 178.44 179.47 1afj h THR 58 N -1.05 0.17 0.00 0.22 2.02 -1.44 0.71 112.91 113.54 1afj h THR 58 Ca -0.03 -0.21 -0.17 0.00 0.77 0.00 0.00 66.41 66.77 1afj h THR 58 Cb 0.36 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1afj h THR 58 CO 0.06 0.02 -0.82 0.50 0.37 0.00 0.00 175.52 175.65 1afj h LYS 59 N 0.00 0.00 -0.34 6.66 3.64 -0.58 -1.03 116.57 124.92 1afj h LYS 59 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1afj h LYS 59 Cb 0.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1afj h LYS 59 CO 0.00 0.79 -0.14 0.00 -2.27 0.00 0.00 179.45 177.83 1afj h ALA 60 N 1.20 0.48 -0.09 5.00 0.00 0.18 0.17 119.26 126.21 1afj h ALA 60 Ca -0.01 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 1afj h ALA 60 Cb 1.62 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1afj h ALA 60 CO 0.10 0.37 -0.83 0.00 0.00 0.00 0.00 179.25 178.89 1afj h THR 61 N 0.48 1.32 -0.10 0.00 1.03 -1.54 -0.67 112.91 113.43 1afj h THR 61 Ca 0.08 -2.13 0.03 0.00 -0.01 0.00 0.00 66.41 64.38 1afj h THR 61 Cb 0.66 2.14 -0.00 0.00 -1.07 0.00 0.00 68.15 69.88 1afj h THR 61 CO 0.04 0.66 0.09 0.00 -0.01 0.00 0.00 175.52 176.30 1afj h ALA 62 N 0.66 1.88 0.00 0.00 0.00 -0.99 0.29 119.26 121.10 1afj h ALA 62 Ca -0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1afj h ALA 62 Cb 1.45 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1afj h ALA 62 CO 0.16 -0.14 -0.91 0.22 0.00 0.00 0.00 179.25 178.58 1afj h ASP 63 N 0.00 0.00 0.96 0.00 3.58 -0.13 -3.17 116.42 117.66 1afj h ASP 63 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1afj h ASP 63 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1afj h ASP 63 CO -0.00 0.34 0.00 0.00 -2.88 0.00 0.00 179.24 176.70 1afj n ALA 64 N -2.26 1.87 0.00 -0.78 0.00 0.88 -4.82 120.51 115.39 1afj n ALA 64 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1afj n ALA 64 Cb 0.70 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.44 1.98 2.60 0.00 0.00 -0.69 -5.08 105.19 104.44 1afj n GLY 65 Ca 0.03 0.00 -0.29 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 1.13 -0.72 1.61 2.02 -0.35 -4.97 117.35 114.08 1afj s TYR 66 Ca 0.00 -1.63 -0.25 0.00 -0.37 0.00 0.00 57.07 54.81 1afj s TYR 66 Cb 0.00 -1.31 -0.13 0.00 -0.40 0.00 0.00 41.96 40.11 1afj s TYR 66 CO 0.00 -0.83 2.41 -2.30 -1.57 0.00 0.00 175.55 173.26 1afj n PRO 67 N 4.44 0.66 -1.30 -1.71 -0.01 -1.26 -3.05 135.00 132.76 1afj n PRO 67 Ca 0.03 -0.51 0.00 0.00 -0.01 0.00 0.00 63.50 63.01 1afj n PRO 67 Cb 0.39 -3.39 0.00 0.00 -0.01 0.00 0.00 33.50 30.49 1afj n PRO 67 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 175.50 175.92 1afj n SER 68 N 16.83 0.88 -2.06 2.55 7.64 -1.26 -4.12 113.62 134.07 1afj n SER 68 Ca 0.46 -0.91 -0.08 0.00 1.01 0.00 0.00 58.87 59.35 1afj n SER 68 Cb 0.44 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 1afj n SER 68 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1afj n SER 69 N -1.93 -0.62 -3.99 6.43 7.64 -0.02 -4.94 113.62 116.20 1afj n SER 69 Ca 0.00 -2.02 -0.09 0.00 1.01 0.00 0.00 58.87 57.77 1afj n SER 69 Cb 0.00 1.21 -0.11 0.00 -1.01 0.00 0.00 64.21 64.30 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 -2.65 0.13 -0.49 0.44 0.11 -1.26 -1.71 120.40 114.97 1afj s VAL 70 Ca 0.16 -0.96 0.05 0.00 -2.93 0.00 0.00 61.98 58.31 1afj s VAL 70 Cb -0.00 -0.33 0.19 0.00 -1.53 0.00 0.00 36.38 34.71 1afj s VAL 70 CO 0.12 -0.52 0.43 1.17 -3.33 0.00 0.00 175.10 172.97 1afj n LYS 71 N 1.53 0.81 0.00 1.54 0.00 -0.62 -4.97 118.16 116.45 1afj n LYS 71 Ca -0.24 -3.58 0.12 0.00 0.00 0.00 0.00 58.31 54.62 1afj n LYS 71 Cb 0.55 -1.77 0.20 0.00 0.00 0.00 0.00 35.03 34.01 1afj n LYS 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40