#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 0.20 0.00 -4.23 -1.25 -2.28 115.64 107.60 1afj s THR 2 Ca 0.00 -0.92 0.08 0.00 -1.18 0.00 0.00 61.69 59.66 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 -0.46 0.04 -1.10 -0.54 0.00 0.00 174.62 172.57 1afj s GLN 3 N 1.33 2.51 -0.01 3.99 -0.21 -0.36 -4.85 119.66 122.06 1afj s GLN 3 Ca 0.19 -1.14 0.02 0.00 0.02 0.00 0.00 55.36 54.45 1afj s GLN 3 Cb -0.10 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.54 1afj s GLN 3 CO -0.05 0.43 -0.06 0.99 -2.12 0.00 0.00 175.29 174.48 1afj s THR 4 N -1.92 0.49 0.30 -0.19 2.01 -1.26 -0.77 115.64 114.29 1afj s THR 4 Ca 0.29 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 1afj s THR 4 Cb -0.09 -0.44 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 1afj s THR 4 CO 0.20 0.16 0.40 0.68 -0.69 0.00 0.00 174.62 175.37 1afj s VAL 5 N 0.14 0.00 0.30 3.82 -7.23 -0.61 -4.82 120.40 112.01 1afj s VAL 5 Ca -0.01 -1.66 0.08 0.00 -1.81 0.00 0.00 61.98 58.58 1afj s VAL 5 Cb -0.06 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1afj s VAL 5 CO -0.00 0.00 0.15 0.28 -0.31 0.00 0.00 175.10 175.22 1afj s THR 6 N -3.50 3.53 -0.01 5.32 -1.32 -1.26 -0.98 115.64 117.42 1afj s THR 6 Ca 0.31 -1.62 0.04 0.00 -1.21 0.00 0.00 61.69 59.21 1afj s THR 6 Cb 0.01 -3.08 -0.01 0.00 -1.51 0.00 0.00 72.50 67.91 1afj s THR 6 CO 0.17 -0.26 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.44 1afj s LEU 7 N -3.84 1.97 -0.55 9.08 1.02 0.50 -1.70 118.68 125.17 1afj s LEU 7 Ca 0.36 -0.22 -0.03 0.00 0.02 0.00 0.00 54.13 54.26 1afj s LEU 7 Cb -0.05 -0.63 0.14 0.00 0.02 0.00 0.00 46.19 45.67 1afj s LEU 7 CO 0.23 0.13 0.35 0.00 0.02 0.00 0.00 176.35 177.09 1afj s ALA 8 N -0.18 3.43 -0.37 4.21 0.00 -0.44 -1.86 121.76 126.55 1afj s ALA 8 Ca 0.03 -3.01 -0.00 0.00 0.00 0.00 0.00 51.96 48.97 1afj s ALA 8 Cb -0.06 -2.56 0.10 0.00 0.00 0.00 0.00 23.12 20.60 1afj s ALA 8 CO -0.00 -2.00 0.12 0.54 0.00 0.00 0.00 175.76 174.42 1afj s VAL 9 N 0.35 2.89 -2.00 0.00 0.11 -1.26 -0.04 120.40 120.45 1afj s VAL 9 Ca 0.14 -2.06 0.12 0.00 -2.93 0.00 0.00 61.98 57.25 1afj s VAL 9 Cb -0.21 -2.98 0.34 0.00 -1.53 0.00 0.00 36.38 32.00 1afj s VAL 9 CO -0.04 -0.57 1.33 -0.81 -3.33 0.00 0.00 175.10 171.68 1afj n PRO 10 N 4.48 0.82 -0.03 1.54 -0.04 -1.22 -3.37 135.00 137.18 1afj n PRO 10 Ca -0.02 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 1afj n PRO 10 Cb 0.42 -1.23 0.18 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.47 -0.66 3.06 0.55 0.00 -1.25 -4.80 105.19 102.55 1afj n GLY 11 Ca 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.91 0.53 0.00 1.61 0.23 -1.22 -4.81 119.30 113.72 1afj s MET 12 Ca 0.12 -1.04 0.00 0.00 -1.03 0.00 0.00 55.69 53.74 1afj s MET 12 Cb 0.06 0.17 0.00 0.00 -1.53 0.00 0.00 34.83 33.53 1afj s MET 12 CO 0.09 -0.09 0.00 -2.37 -2.03 0.00 0.00 175.02 170.62 1afj n THR 13 N 0.56 0.00 -3.86 3.16 5.66 -1.26 -4.82 114.28 113.72 1afj n THR 13 Ca -0.17 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.82 1afj n THR 13 Cb 0.59 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.39 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 -1.17 4.20 0.00 0.00 0.00 -1.26 -3.89 120.51 118.40 1afj n ALA 15 Ca -0.11 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.50 1afj n ALA 15 Cb 0.49 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.36 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 7.75 0.00 -0.06 0.00 0.00 -1.26 -5.01 120.51 121.93 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 0.43 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 -0.55 -0.71 -1.11 0.00 0.11 -1.80 -1.96 132.00 125.98 1afj h PRO 18 Ca -0.39 0.05 0.32 0.00 0.11 0.00 0.00 66.00 66.09 1afj h PRO 18 Cb 1.62 0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.85 1afj h PRO 18 CO -0.09 -0.47 0.97 0.82 -0.21 0.00 0.00 178.00 179.02 1afj h ILE 19 N -0.73 0.21 -0.28 4.15 2.04 -1.80 0.93 117.51 122.03 1afj h ILE 19 Ca -0.07 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.63 1afj h ILE 19 Cb 0.57 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1afj h ILE 19 CO 0.11 0.00 -0.47 0.74 0.00 0.00 0.00 178.15 178.53 1afj h THR 20 N 0.00 1.29 0.00 -0.27 2.02 -1.48 -2.09 112.91 112.38 1afj h THR 20 Ca 0.53 -1.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1afj h THR 20 Cb 2.46 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 70.44 1afj h THR 20 CO -0.01 0.54 -0.00 0.58 0.37 0.00 0.00 175.52 177.00 1afj h VAL 21 N 0.60 0.65 -0.16 3.16 2.07 0.14 -0.50 116.25 122.20 1afj h VAL 21 Ca 0.03 -0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 1afj h VAL 21 Cb 1.04 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1afj h VAL 21 CO 0.10 0.00 -0.38 0.50 0.02 0.00 0.00 177.57 177.81 1afj h LYS 22 N 0.00 0.54 0.00 1.57 1.63 -1.14 -2.75 116.57 116.43 1afj h LYS 22 Ca -0.00 -0.37 -0.05 0.00 -0.85 0.00 0.00 60.65 59.39 1afj h LYS 22 Cb 0.00 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1afj h LYS 22 CO 0.00 0.98 -0.21 -0.22 -3.45 0.00 0.00 179.45 176.55 1afj h LYS 23 N 0.18 0.00 -0.08 1.90 1.63 -0.91 -1.63 116.57 117.67 1afj h LYS 23 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1afj h LYS 23 Cb 0.99 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.61 1afj h LYS 23 CO 0.08 0.21 -0.01 0.00 -3.45 0.00 0.00 179.45 176.29 1afj h ALA 24 N 1.79 0.11 -0.16 5.00 0.00 -0.97 -1.72 119.26 123.30 1afj h ALA 24 Ca -0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1afj h ALA 24 Cb 0.48 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1afj h ALA 24 CO 0.03 -0.20 -0.62 -0.07 0.00 0.00 0.00 179.25 178.39 1afj h LEU 25 N -0.16 0.82 -2.31 0.00 3.38 -1.32 1.72 115.31 117.45 1afj h LEU 25 Ca 0.02 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 1afj h LEU 25 Cb 0.37 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1afj h LEU 25 CO 0.01 1.29 -0.05 -1.28 0.09 0.00 0.00 178.44 178.50 1afj h SER 26 N 0.40 0.00 0.00 -0.43 0.87 -1.33 -2.45 113.55 110.61 1afj h SER 26 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1afj h SER 26 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1afj h SER 26 CO 0.13 0.05 0.00 2.29 -0.53 0.00 0.00 176.83 178.76 1afj n LYS 27 N -3.62 1.82 -0.18 2.24 0.00 -0.65 -4.77 118.16 113.00 1afj n LYS 27 Ca -0.02 -1.16 -0.01 0.00 -0.00 0.00 0.00 58.31 57.12 1afj n LYS 27 Cb 0.15 -0.94 0.08 0.00 -0.00 0.00 0.00 35.03 34.32 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 0.28 0.57 0.00 0.58 3.04 0.31 -3.47 116.25 117.56 1afj h VAL 28 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1afj h VAL 28 Cb 0.44 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1afj h VAL 28 CO 0.00 0.03 0.00 -0.62 -1.01 0.00 0.00 177.57 175.97 1afj n GLU 29 N -5.23 0.00 -0.00 4.17 1.02 -1.26 -4.93 120.64 114.41 1afj n GLU 29 Ca 0.07 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.36 1afj n GLU 29 Cb 0.31 0.00 0.72 0.00 -0.02 0.00 0.00 31.44 32.45 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 -0.47 3.58 0.62 0.00 -1.26 -4.91 105.19 102.74 1afj n GLY 30 Ca 0.00 -0.33 -0.57 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.38 0.03 0.27 1.61 3.14 -1.26 -2.74 118.33 119.00 1afj n VAL 31 Ca 0.21 -0.01 0.05 0.00 -2.96 0.00 0.00 64.34 61.64 1afj n VAL 31 Cb 0.24 -0.51 -0.07 0.00 -1.06 0.00 0.00 33.84 32.44 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 2.58 1.40 -3.51 6.55 7.64 -0.54 -4.89 113.62 122.85 1afj n SER 32 Ca 0.21 -0.42 -0.10 0.00 1.01 0.00 0.00 58.87 59.58 1afj n SER 32 Cb 0.12 1.21 -0.02 0.00 -1.01 0.00 0.00 64.21 64.51 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 -2.31 1.19 0.04 1.43 2.20 -1.06 -4.95 119.74 116.29 1afj s LYS 33 Ca 0.00 -0.48 -0.15 0.00 -0.36 0.00 0.00 55.97 54.98 1afj s LYS 33 Cb 0.07 0.52 0.02 0.00 -1.51 0.00 0.00 37.83 36.93 1afj s LYS 33 CO 0.43 -0.52 0.33 0.54 -0.36 0.00 0.00 175.35 175.76 1afj s VAL 34 N -3.55 0.08 -0.40 4.02 0.11 -1.26 -1.58 120.40 117.82 1afj s VAL 34 Ca 0.04 -0.62 -0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1afj s VAL 34 Cb -0.02 -0.93 0.20 0.00 -1.53 0.00 0.00 36.38 34.10 1afj s VAL 34 CO -0.09 -0.34 0.92 -0.62 -3.33 0.00 0.00 175.10 171.63 1afj s ASP 35 N -2.03 -0.81 0.00 3.54 2.15 0.13 -4.96 116.67 114.68 1afj s ASP 35 Ca -0.05 -0.80 0.00 0.00 0.43 0.00 0.00 52.55 52.12 1afj s ASP 35 Cb -0.01 1.06 0.00 0.00 -0.30 0.00 0.00 42.92 43.67 1afj s ASP 35 CO -0.03 -0.05 0.00 1.33 -0.17 0.00 0.00 175.17 176.25 1afj n VAL 36 N 3.11 0.00 -3.37 1.11 0.24 -1.26 -2.04 118.33 116.12 1afj n VAL 36 Ca 0.12 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.26 1afj n VAL 36 Cb 0.61 -0.54 -0.08 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.89 -0.09 0.11 7.63 0.00 0.11 -4.88 107.32 109.32 1afj s GLY 37 Ca 0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 44.72 43.70 1afj s GLY 37 CO 0.00 2.74 1.63 0.27 0.00 0.00 0.00 173.10 177.74 1afj h PHE 38 N 7.40 -0.74 0.00 1.90 -5.15 -1.84 1.09 116.94 119.61 1afj h PHE 38 Ca -0.00 0.02 -0.04 0.00 -0.20 0.00 0.00 57.97 57.75 1afj h PHE 38 Cb 1.06 0.31 -0.01 0.00 0.22 0.00 0.00 35.95 37.54 1afj h PHE 38 CO 0.31 -0.38 -0.19 1.49 -2.00 0.00 0.00 178.31 177.54 1afj h GLU 39 N -0.48 0.00 -0.03 6.09 4.81 -1.95 -2.14 114.58 120.88 1afj h GLU 39 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1afj h GLU 39 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1afj h GLU 39 CO -0.17 0.19 0.00 1.63 -0.73 0.00 0.00 179.01 179.93 1afj n LYS 40 N -3.55 1.84 -3.55 1.92 4.76 -0.38 -4.85 118.16 114.35 1afj n LYS 40 Ca -0.01 -1.23 -0.17 0.00 -2.87 0.00 0.00 58.31 54.04 1afj n LYS 40 Cb 0.34 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1afj n LYS 40 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1afj n ARG 41 N 0.49 -1.48 -3.43 1.97 0.00 0.36 -4.92 116.66 109.65 1afj n ARG 41 Ca 0.18 1.00 0.01 0.00 -0.00 0.00 0.00 57.85 59.04 1afj n ARG 41 Cb 0.42 -3.40 -0.04 0.00 0.00 0.00 0.00 32.46 29.44 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 -4.30 0.33 -0.25 -0.14 2.12 -1.04 -4.37 118.70 111.06 1afj s GLU 42 Ca 0.01 0.83 -0.06 0.00 0.36 0.00 0.00 54.97 56.11 1afj s GLU 42 Cb -0.00 0.50 -0.02 0.00 0.26 0.00 0.00 34.13 34.88 1afj s GLU 42 CO 0.85 -0.12 0.04 0.00 -0.54 0.00 0.00 175.26 175.49 1afj s ALA 43 N 2.53 3.04 -0.33 6.30 0.00 -0.78 0.04 121.76 132.56 1afj s ALA 43 Ca -0.03 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1afj s ALA 43 Cb -0.07 -1.98 0.04 0.00 0.00 0.00 0.00 23.12 21.10 1afj s ALA 43 CO -0.18 -0.55 0.09 0.08 0.00 0.00 0.00 175.76 175.21 1afj s VAL 44 N 1.56 3.69 0.08 0.00 1.01 -0.87 0.19 120.40 126.06 1afj s VAL 44 Ca 0.06 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 60.95 1afj s VAL 44 Cb -0.15 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1afj s VAL 44 CO 0.01 -0.16 -0.14 -0.69 0.00 0.00 0.00 175.10 174.13 1afj s VAL 45 N 1.39 1.15 0.25 2.92 1.01 -0.15 0.18 120.40 127.15 1afj s VAL 45 Ca -0.02 -1.38 0.08 0.00 0.00 0.00 0.00 61.98 60.67 1afj s VAL 45 Cb -0.19 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1afj s VAL 45 CO 0.02 -0.26 0.08 -0.89 0.00 0.00 0.00 175.10 174.06 1afj s THR 46 N -1.42 3.91 0.05 3.92 2.01 -0.61 -1.57 115.64 121.92 1afj s THR 46 Ca -0.00 -1.64 -0.12 0.00 0.31 0.00 0.00 61.69 60.24 1afj s THR 46 Cb -0.09 -3.09 0.04 0.00 0.01 0.00 0.00 72.50 69.37 1afj s THR 46 CO 0.02 -0.34 0.56 2.22 -0.69 0.00 0.00 174.62 176.39 1afj n PHE 47 N -0.94 -0.69 -4.08 4.92 1.16 0.05 -1.47 117.46 116.42 1afj n PHE 47 Ca -0.07 -0.52 -0.35 0.00 -1.87 0.00 0.00 57.45 54.64 1afj n PHE 47 Cb 0.58 0.25 -0.12 0.00 -1.61 0.00 0.00 39.48 38.58 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 -2.28 5.14 0.00 5.98 1.01 -1.11 -1.23 116.67 124.19 1afj s ASP 48 Ca 0.13 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.29 1afj s ASP 48 Cb -0.01 -1.88 0.00 0.00 1.01 0.00 0.00 42.92 42.04 1afj s ASP 48 CO 0.02 0.11 0.72 -0.90 0.21 0.00 0.00 175.17 175.33 1afj n ASP 49 N 3.96 0.06 0.03 0.27 5.75 -0.96 -1.73 116.55 123.93 1afj n ASP 49 Ca -0.17 -1.50 -0.17 0.00 -0.01 0.00 0.00 54.79 52.94 1afj n ASP 49 Cb 0.52 -0.03 -0.14 0.00 -1.03 0.00 0.00 41.12 40.44 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 0.92 0.00 2.12 1.35 -1.93 -3.39 112.91 111.97 1afj h THR 50 Ca 0.00 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 1afj h THR 50 Cb 0.03 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1afj h THR 50 CO 0.00 0.79 -0.19 0.29 -0.25 0.00 0.00 175.52 176.15 1afj n LYS 51 N -3.40 5.71 -3.05 4.72 5.02 -1.19 -5.06 118.16 120.92 1afj n LYS 51 Ca -0.22 -0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 55.97 1afj n LYS 51 Cb 1.05 -0.63 -0.03 0.00 -0.02 0.00 0.00 35.03 35.40 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 -1.10 0.30 -3.64 7.82 0.00 -0.70 -4.27 120.51 118.91 1afj n ALA 52 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 53.44 52.51 1afj n ALA 52 Cb 0.02 0.68 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 1afj n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afj s SER 53 N -2.09 -0.05 0.39 0.00 0.15 -1.26 -4.08 113.70 106.77 1afj s SER 53 Ca 0.14 0.03 0.23 0.00 0.70 0.00 0.00 55.95 57.05 1afj s SER 53 Cb 0.01 0.04 1.30 0.00 -1.71 0.00 0.00 66.02 65.66 1afj s SER 53 CO 0.10 -0.06 1.63 -0.37 1.20 0.00 0.00 173.24 175.74 1afj h VAL 54 N 2.04 0.16 -0.21 4.45 -1.51 -1.97 1.13 116.25 120.35 1afj h VAL 54 Ca -0.06 -0.05 -0.02 0.00 -1.23 0.00 0.00 66.70 65.34 1afj h VAL 54 Cb 1.16 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 1afj h VAL 54 CO 0.21 0.03 0.07 -0.61 -1.23 0.00 0.00 177.57 176.03 1afj h GLN 55 N 0.14 0.32 0.00 5.19 4.15 -1.99 -2.21 115.11 120.72 1afj h GLN 55 Ca 0.80 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 60.13 1afj h GLN 55 Cb 2.20 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.84 1afj h GLN 55 CO -0.55 0.42 -0.07 0.87 -1.93 0.00 0.00 178.83 177.57 1afj h LYS 56 N 0.16 0.00 0.25 1.69 1.57 0.88 0.25 116.57 121.38 1afj h LYS 56 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1afj h LYS 56 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1afj h LYS 56 CO -0.00 0.07 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.76 1afj h LEU 57 N 0.00 -0.28 -1.59 2.94 3.38 -0.53 0.16 115.31 119.39 1afj h LEU 57 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1afj h LEU 57 Cb 0.15 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1afj h LEU 57 CO 0.01 0.17 0.00 0.74 0.09 0.00 0.00 178.44 179.45 1afj h THR 58 N -0.81 0.00 0.00 0.22 2.02 -1.11 -0.41 112.91 112.81 1afj h THR 58 Ca -0.03 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1afj h THR 58 Cb 0.51 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1afj h THR 58 CO 0.06 0.00 -0.75 0.50 0.37 0.00 0.00 175.52 175.70 1afj h LYS 59 N 0.00 0.00 0.05 6.66 3.64 -0.12 -0.42 116.57 126.38 1afj h LYS 59 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 1afj h LYS 59 Cb 0.24 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1afj h LYS 59 CO 0.00 0.11 -1.11 0.00 -2.27 0.00 0.00 179.45 176.18 1afj h ALA 60 N 1.84 0.07 0.16 5.00 0.00 0.10 0.20 119.26 126.63 1afj h ALA 60 Ca -0.03 -0.72 -0.29 0.00 0.00 0.00 0.00 54.91 53.87 1afj h ALA 60 Cb 1.15 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1afj h ALA 60 CO 0.02 0.68 -1.30 0.00 0.00 0.00 0.00 179.25 178.64 1afj h THR 61 N 0.34 1.44 0.00 0.00 1.03 -1.59 -0.59 112.91 113.54 1afj h THR 61 Ca -0.15 -2.97 -0.04 0.00 -0.01 0.00 0.00 66.41 63.25 1afj h THR 61 Cb 1.77 2.97 -0.01 0.00 -1.07 0.00 0.00 68.15 71.81 1afj h THR 61 CO 0.22 0.87 -0.17 0.00 -0.01 0.00 0.00 175.52 176.43 1afj h ALA 62 N 0.47 1.49 0.00 0.00 0.00 -0.96 0.60 119.26 120.86 1afj h ALA 62 Ca -0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1afj h ALA 62 Cb 2.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 1afj h ALA 62 CO 0.22 0.22 -0.50 -0.44 0.00 0.00 0.00 179.25 178.75 1afj h ASP 63 N 0.00 0.00 1.36 0.00 5.19 -0.40 -3.12 116.42 119.46 1afj h ASP 63 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1afj h ASP 63 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1afj h ASP 63 CO 0.02 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.17 1afj h ALA 64 N 1.97 1.00 0.00 3.45 0.00 0.71 -3.45 119.26 122.93 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 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 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 0.44 1.97 2.70 0.00 0.00 -0.86 -5.07 105.19 104.36 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 1.10 -0.72 1.61 2.02 -0.45 -4.98 117.35 113.93 1afj s TYR 66 Ca 0.00 -1.13 -0.29 0.00 -0.37 0.00 0.00 57.07 55.27 1afj s TYR 66 Cb 0.00 -1.22 -0.15 0.00 -0.40 0.00 0.00 41.96 40.20 1afj s TYR 66 CO 0.00 -0.73 2.53 -2.30 -1.57 0.00 0.00 175.55 173.47 1afj n PRO 67 N 5.03 0.53 -4.15 -1.71 -0.02 -1.26 -2.97 135.00 130.44 1afj n PRO 67 Ca -0.06 0.02 -0.24 0.00 -2.02 0.00 0.00 63.50 61.20 1afj n PRO 67 Cb 0.45 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 1afj n PRO 67 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1afj s SER 68 N 10.19 5.24 0.38 2.55 1.04 -1.26 -3.42 113.70 128.41 1afj s SER 68 Ca 1.17 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 57.31 1afj s SER 68 Cb -0.77 -1.26 -0.01 0.00 0.10 0.00 0.00 66.02 64.09 1afj s SER 68 CO 0.40 0.01 0.08 -0.24 0.98 0.00 0.00 173.24 174.47 1afj n SER 69 N -0.81 1.90 -3.92 7.02 2.88 0.94 -4.88 113.62 116.75 1afj n SER 69 Ca -0.08 -2.87 -0.10 0.00 -1.33 0.00 0.00 58.87 54.49 1afj n SER 69 Cb 0.57 0.68 -0.10 0.00 -0.75 0.00 0.00 64.21 64.61 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 -2.75 0.10 -0.36 2.46 0.11 -1.26 -1.33 120.40 117.36 1afj s VAL 70 Ca 0.11 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 58.42 1afj s VAL 70 Cb 0.01 -0.39 0.24 0.00 -1.53 0.00 0.00 36.38 34.70 1afj s VAL 70 CO 0.08 -0.44 1.22 2.29 -3.33 0.00 0.00 175.10 174.92 1afj n LYS 71 N 1.46 0.69 0.00 1.54 2.85 -0.69 -4.85 118.16 119.16 1afj n LYS 71 Ca -0.23 -1.28 0.00 0.00 -1.05 0.00 0.00 58.31 55.75 1afj n LYS 71 Cb 0.55 -0.09 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 1afj n LYS 71 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29