#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aab s LYS 2 N 0.00 4.10 0.00 1.61 2.20 -1.26 -4.93 119.74 121.47 1aab s LYS 2 Ca 0.00 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 1aab s LYS 2 Cb 0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1aab s LYS 2 CO 0.00 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 1aab n GLY 3 N 1.64 0.68 2.69 5.54 0.00 -1.26 -5.09 105.19 109.39 1aab n GLY 3 Ca 0.06 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 1aab n GLY 3 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aab n ASP 4 N 0.00 -1.71 0.27 1.61 5.75 -1.26 -4.90 116.55 116.31 1aab n ASP 4 Ca 0.00 -2.58 0.11 0.00 -0.01 0.00 0.00 54.79 52.31 1aab n ASP 4 Cb 0.00 1.39 0.74 0.00 -1.03 0.00 0.00 41.12 42.22 1aab n ASP 4 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1aab h PRO 5 N 2.29 0.00 0.00 0.11 0.13 -1.98 -3.36 132.00 129.19 1aab h PRO 5 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1aab h PRO 5 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1aab h PRO 5 CO 0.00 0.01 0.00 0.36 -0.23 0.00 0.00 178.00 178.15 1aab n LYS 6 N -4.26 0.00 -2.65 0.86 2.85 -1.26 -5.01 118.16 108.68 1aab n LYS 6 Ca -0.03 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.89 1aab n LYS 6 Cb 0.10 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.43 1aab n LYS 6 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1aab s LYS 7 N 0.00 3.98 0.21 -1.58 3.01 -1.26 -4.79 119.74 119.31 1aab s LYS 7 Ca 0.00 1.27 -0.03 0.00 -1.01 0.00 0.00 55.97 56.20 1aab s LYS 7 Cb 0.00 -2.14 0.05 0.00 -1.01 0.00 0.00 37.83 34.73 1aab s LYS 7 CO 0.00 -0.27 0.12 -2.30 0.51 0.00 0.00 175.35 173.41 1aab n PRO 8 N -0.81 -1.85 0.00 -1.68 -0.02 -1.26 -4.69 135.00 124.69 1aab n PRO 8 Ca 0.08 -0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1aab n PRO 8 Cb 0.53 -0.28 0.00 0.00 -0.02 0.00 0.00 33.50 33.73 1aab n PRO 8 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1aab n ARG 9 N -2.18 0.00 -1.44 -0.52 0.63 -1.26 -4.82 116.66 107.07 1aab n ARG 9 Ca 0.02 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1aab n ARG 9 Cb 0.08 -1.41 -0.00 0.00 0.45 0.00 0.00 32.46 31.58 1aab n ARG 9 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aab n GLY 10 N -0.87 -3.43 3.52 5.14 0.00 -1.26 -4.72 105.19 103.58 1aab n GLY 10 Ca 0.00 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1aab n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aab n LYS 11 N 0.36 0.42 -1.01 1.61 -0.00 -1.26 -4.88 118.16 113.40 1aab n LYS 11 Ca -0.03 -0.05 -0.31 0.00 -0.00 0.00 0.00 58.31 57.92 1aab n LYS 11 Cb 0.05 -2.33 0.13 0.00 -0.00 0.00 0.00 35.03 32.88 1aab n LYS 11 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1aab s MET 12 N 8.58 1.56 0.90 -1.58 -1.94 -1.26 -4.96 119.30 120.60 1aab s MET 12 Ca 1.19 1.27 -0.14 0.00 -1.71 0.00 0.00 55.69 56.30 1aab s MET 12 Cb -0.75 -1.81 0.14 0.00 2.01 0.00 0.00 34.83 34.42 1aab s MET 12 CO 0.39 -2.16 1.21 0.45 -0.01 0.00 0.00 175.02 174.89 1aab s SER 13 N -3.09 3.68 0.28 3.03 0.15 -1.26 -4.71 113.70 111.78 1aab s SER 13 Ca 0.64 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.96 1aab s SER 13 Cb -0.20 -1.04 0.40 0.00 -1.71 0.00 0.00 66.02 63.48 1aab s SER 13 CO 0.57 -2.42 1.78 0.77 1.20 0.00 0.00 173.24 175.14 1aab h SER 14 N -1.41 0.66 -0.00 5.45 4.64 -1.92 -0.97 113.55 119.99 1aab h SER 14 Ca -0.47 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1aab h SER 14 Cb 1.30 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1aab h SER 14 CO 0.55 0.76 -0.00 0.22 -0.87 0.00 0.00 176.83 177.49 1aab h TYR 15 N 0.64 0.00 -0.44 4.77 3.20 -1.92 -2.84 116.97 120.38 1aab h TYR 15 Ca 0.12 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.12 1aab h TYR 15 Cb 0.46 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1aab h TYR 15 CO 0.02 0.60 0.34 0.00 -1.64 0.00 0.00 178.16 177.48 1aab h ALA 16 N 0.41 2.34 -0.21 1.82 0.00 -1.89 0.33 119.26 122.05 1aab h ALA 16 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1aab h ALA 16 Cb 0.60 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1aab h ALA 16 CO 0.00 -0.57 -0.31 0.74 0.00 0.00 0.00 179.25 179.11 1aab h PHE 17 N 0.00 0.49 0.00 0.00 0.04 -0.95 -1.30 116.94 115.22 1aab h PHE 17 Ca 0.21 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1aab h PHE 17 Cb 0.90 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1aab h PHE 17 CO 0.00 0.70 0.00 0.35 -0.60 0.00 0.00 178.31 178.76 1aab h PHE 18 N 0.37 0.00 0.11 -0.55 3.04 -0.21 -3.02 116.94 116.68 1aab h PHE 18 Ca 0.05 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.82 1aab h PHE 18 Cb 0.73 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.26 1aab h PHE 18 CO 0.02 0.00 -0.80 0.28 -2.02 0.00 0.00 178.31 175.79 1aab h VAL 19 N 0.00 1.46 0.00 1.41 2.07 -0.17 -0.43 116.25 120.59 1aab h VAL 19 Ca 0.00 -2.48 -0.01 0.00 0.82 0.00 0.00 66.70 65.03 1aab h VAL 19 Cb 0.78 3.13 -0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1aab h VAL 19 CO 0.00 0.69 -0.05 0.06 0.02 0.00 0.00 177.57 178.29 1aab h GLN 20 N -0.47 0.00 0.00 1.57 3.07 -1.36 0.92 115.11 118.84 1aab h GLN 20 Ca -0.15 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.42 1aab h GLN 20 Cb 1.56 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.09 1aab h GLN 20 CO 0.10 0.05 -0.81 1.15 0.09 0.00 0.00 178.83 179.42 1aab h THR 21 N 0.00 1.42 0.00 1.86 2.02 -1.48 -2.76 112.91 113.98 1aab h THR 21 Ca -0.00 -2.93 -0.02 0.00 0.77 0.00 0.00 66.41 64.23 1aab h THR 21 Cb 0.15 2.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1aab h THR 21 CO 0.01 0.79 -0.40 -1.28 0.37 0.00 0.00 175.52 175.00 1aab h SER 22 N 0.00 0.00 0.13 4.18 0.87 0.16 -3.22 113.55 115.67 1aab h SER 22 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1aab h SER 22 Cb 1.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 1aab h SER 22 CO 0.11 0.08 -0.06 -0.09 -0.53 0.00 0.00 176.83 176.33 1aab h ARG 23 N 0.00 -0.17 -0.04 2.24 2.43 0.73 0.19 114.38 119.76 1aab h ARG 23 Ca -0.01 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1aab h ARG 23 Cb 1.07 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1aab h ARG 23 CO 0.01 0.30 0.06 0.93 -1.51 0.00 0.00 179.97 179.76 1aab h GLU 24 N -0.78 0.00 0.12 0.20 5.08 -1.60 0.70 114.58 118.31 1aab h GLU 24 Ca -0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1aab h GLU 24 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1aab h GLU 24 CO 0.03 0.00 -1.46 0.93 -1.00 0.00 0.00 179.01 177.51 1aab h GLU 25 N 0.00 0.26 0.00 2.33 5.08 -1.53 -3.25 114.58 117.47 1aab h GLU 25 Ca 0.02 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1aab h GLU 25 Cb 0.15 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1aab h GLU 25 CO -0.00 1.15 0.00 1.25 -1.00 0.00 0.00 179.01 180.41 1aab h HIS 26 N 0.07 0.00 0.00 4.33 -0.00 0.15 -3.00 115.15 116.71 1aab h HIS 26 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 1aab h HIS 26 Cb 2.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.42 1aab h HIS 26 CO 0.07 0.00 0.00 1.63 -0.00 0.00 0.00 177.93 179.63 1aab n LYS 27 N -2.33 0.29 -0.02 5.26 5.02 -0.08 -3.30 118.16 123.00 1aab n LYS 27 Ca 0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.30 1aab n LYS 27 Cb 0.33 -1.19 -0.01 0.00 -0.02 0.00 0.00 35.03 34.14 1aab n LYS 27 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1aab n LYS 28 N -0.69 0.17 -0.43 1.97 5.02 -1.13 -4.68 118.16 118.39 1aab n LYS 28 Ca 0.03 0.07 -0.07 0.00 -2.02 0.00 0.00 58.31 56.31 1aab n LYS 28 Cb 0.01 -0.71 0.05 0.00 -0.02 0.00 0.00 35.03 34.35 1aab n LYS 28 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1aab n LYS 29 N -3.30 1.38 -3.09 1.97 5.02 -1.24 -4.37 118.16 114.53 1aab n LYS 29 Ca -0.05 -0.87 -0.17 0.00 -2.02 0.00 0.00 58.31 55.20 1aab n LYS 29 Cb 0.17 -1.34 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1aab n LYS 29 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1aab n HIS 30 N 0.19 -2.01 0.11 2.13 8.25 -1.21 -5.01 115.22 117.68 1aab n HIS 30 Ca 0.17 -2.58 -0.13 0.00 -0.26 0.00 0.00 57.72 54.92 1aab n HIS 30 Cb 0.78 0.69 -0.08 0.00 1.12 0.00 0.00 29.99 32.49 1aab n HIS 30 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1aab h PRO 31 N 4.97 -0.21 0.42 -0.41 0.11 -1.88 -3.23 132.00 131.77 1aab h PRO 31 Ca 0.12 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 1aab h PRO 31 Cb 0.98 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1aab h PRO 31 CO 0.27 -0.07 -0.20 0.38 -0.21 0.00 0.00 178.00 178.17 1aab h ASP 32 N -0.29 -0.48 -6.05 -2.05 2.03 -1.97 -3.48 116.42 104.12 1aab h ASP 32 Ca -0.02 -0.11 -0.14 0.00 -0.73 0.00 0.00 57.03 56.04 1aab h ASP 32 Cb 0.23 0.12 0.01 0.00 -0.83 0.00 0.00 39.33 38.86 1aab h ASP 32 CO 0.04 -0.13 -0.99 0.00 -1.03 0.00 0.00 179.24 177.12 1aab n ALA 33 N -2.52 -2.52 0.89 4.15 0.00 -1.22 -4.74 120.51 114.55 1aab n ALA 33 Ca -0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1aab n ALA 33 Cb 0.29 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1aab n ALA 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1aab n SER 34 N 0.43 2.62 -4.65 0.00 7.64 -1.26 -4.88 113.62 113.52 1aab n SER 34 Ca -0.01 -1.77 -0.49 0.00 1.01 0.00 0.00 58.87 57.61 1aab n SER 34 Cb 0.47 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 1aab n SER 34 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1aab n VAL 35 N 0.55 0.10 -2.05 0.44 0.31 -1.26 -4.80 118.33 111.61 1aab n VAL 35 Ca 0.00 -0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.30 1aab n VAL 35 Cb 0.44 -1.32 -0.01 0.00 -0.91 0.00 0.00 33.84 32.03 1aab n VAL 35 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1aab n ASN 36 N 3.67 -0.14 -3.57 4.52 3.02 -1.26 -4.98 115.26 116.53 1aab n ASN 36 Ca 0.19 -1.54 -0.26 0.00 -0.03 0.00 0.00 54.58 52.93 1aab n ASN 36 Cb 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1aab n ASN 36 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1aab n PHE 37 N 0.05 -1.93 -1.70 3.10 3.01 -1.26 -4.64 117.46 114.09 1aab n PHE 37 Ca -0.06 0.62 0.00 0.00 1.01 0.00 0.00 57.45 59.02 1aab n PHE 37 Cb 0.66 -3.35 0.00 0.00 -0.01 0.00 0.00 39.48 36.78 1aab n PHE 37 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1aab n SER 38 N -2.49 0.00 0.00 4.37 7.64 -1.26 -4.89 113.62 117.00 1aab n SER 38 Ca 0.00 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1aab n SER 38 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1aab n GLU 39 N 0.00 2.54 -0.08 1.43 1.02 -1.26 -4.90 120.64 119.39 1aab n GLU 39 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1aab n GLU 39 Cb 0.25 -0.21 -0.05 0.00 -0.02 0.00 0.00 31.44 31.41 1aab n GLU 39 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1aab h PHE 40 N 0.00 0.00 0.00 -0.32 3.57 -1.90 -3.33 116.94 114.96 1aab h PHE 40 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1aab h PHE 40 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1aab h PHE 40 CO 0.00 0.47 0.34 0.77 -2.23 0.00 0.00 178.31 177.66 1aab h SER 41 N -1.00 0.00 -0.83 0.41 0.02 -1.92 0.50 113.55 110.72 1aab h SER 41 Ca -0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1aab h SER 41 Cb 0.69 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 1aab h SER 41 CO -0.06 0.00 0.49 0.50 -1.14 0.00 0.00 176.83 176.62 1aab h LYS 42 N 0.00 1.14 0.00 3.45 3.64 -1.91 0.78 116.57 123.67 1aab h LYS 42 Ca 0.00 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1aab h LYS 42 Cb 0.68 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1aab h LYS 42 CO 0.00 0.81 -0.00 0.87 -2.27 0.00 0.00 179.45 178.86 1aab h LYS 43 N 1.16 -0.00 -0.76 1.90 1.57 -0.19 -3.19 116.57 117.06 1aab h LYS 43 Ca 0.30 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.18 1aab h LYS 43 Cb -0.02 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 1aab h LYS 43 CO -0.05 0.91 0.50 0.00 -0.57 0.00 0.00 179.45 180.24 1aab h SER 45 N 0.67 0.01 0.11 0.00 4.64 -0.93 0.46 113.55 118.50 1aab h SER 45 Ca 0.35 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1aab h SER 45 Cb 0.47 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1aab h SER 45 CO -0.13 0.04 0.00 -0.62 -0.87 0.00 0.00 176.83 175.25 1aab n GLU 46 N -5.07 0.27 -0.00 4.77 1.02 -0.51 -0.81 120.64 120.30 1aab n GLU 46 Ca -0.07 0.09 0.07 0.00 -0.02 0.00 0.00 57.16 57.22 1aab n GLU 46 Cb 0.04 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.88 1aab n GLU 46 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1aab n ARG 47 N -1.14 1.78 -0.08 3.49 0.63 0.52 -4.43 116.66 117.43 1aab n ARG 47 Ca 0.07 -0.05 -0.12 0.00 -0.92 0.00 0.00 57.85 56.83 1aab n ARG 47 Cb 0.07 -1.20 -0.04 0.00 0.45 0.00 0.00 32.46 31.73 1aab n ARG 47 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 1aab n TRP 48 N -1.56 0.00 0.32 -0.14 -0.00 0.13 -4.33 117.44 111.86 1aab n TRP 48 Ca 0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.64 1aab n TRP 48 Cb 0.26 -0.52 0.69 0.00 -0.00 0.00 0.00 31.31 31.74 1aab n TRP 48 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1aab h LYS 49 N -0.80 0.00 0.12 5.87 1.57 -1.21 0.39 116.57 122.51 1aab h LYS 49 Ca -0.17 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.34 1aab h LYS 49 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1aab h LYS 49 CO -0.10 0.00 -1.27 0.00 -0.57 0.00 0.00 179.45 177.51 1aab h THR 50 N 0.00 1.46 -2.44 -0.16 1.03 -1.77 -3.47 112.91 107.56 1aab h THR 50 Ca 0.00 -3.05 -0.27 0.00 -0.01 0.00 0.00 66.41 63.08 1aab h THR 50 Cb 0.81 2.92 0.16 0.00 -1.07 0.00 0.00 68.15 70.96 1aab h THR 50 CO 0.00 0.89 -0.12 0.23 -0.01 0.00 0.00 175.52 176.50 1aab n MET 51 N -3.51 -4.10 -4.11 0.00 2.81 0.13 -5.03 117.12 103.31 1aab n MET 51 Ca -0.09 -1.09 -0.26 0.00 -1.81 0.00 0.00 57.70 54.45 1aab n MET 51 Cb 1.02 -1.40 -0.06 0.00 -0.71 0.00 0.00 33.22 32.08 1aab n MET 51 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1aab s SER 52 N -2.85 5.39 0.59 7.83 0.01 -1.26 -4.95 113.70 118.46 1aab s SER 52 Ca 0.50 -0.19 0.29 0.00 1.31 0.00 0.00 55.95 57.86 1aab s SER 52 Cb -0.09 -1.36 1.31 0.00 0.21 0.00 0.00 66.02 66.09 1aab s SER 52 CO 0.41 0.06 1.68 0.00 0.41 0.00 0.00 173.24 175.80 1aab h ALA 53 N 2.36 2.56 0.16 1.44 0.00 -1.95 0.22 119.26 124.05 1aab h ALA 53 Ca -0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 53 Cb 1.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1aab h ALA 53 CO 0.62 -1.17 -0.08 0.87 0.00 0.00 0.00 179.25 179.49 1aab h LYS 54 N 0.00 -0.21 -0.18 0.00 1.57 -1.97 0.91 116.57 116.69 1aab h LYS 54 Ca 0.35 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.09 1aab h LYS 54 Cb 1.93 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 34.28 1aab h LYS 54 CO -0.00 0.00 -0.10 0.93 -0.57 0.00 0.00 179.45 179.71 1aab h GLU 55 N -0.39 0.39 0.00 3.15 4.39 -1.03 -1.71 114.58 119.38 1aab h GLU 55 Ca -0.02 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1aab h GLU 55 Cb 0.31 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1aab h GLU 55 CO 0.04 0.70 0.00 1.63 -1.16 0.00 0.00 179.01 180.21 1aab n LYS 56 N -4.58 0.33 0.12 2.33 5.02 -0.28 -2.04 118.16 119.06 1aab n LYS 56 Ca -0.05 0.09 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 1aab n LYS 56 Cb 0.32 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.69 1aab n LYS 56 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1aab h GLY 57 N 2.74 0.62 2.00 0.72 0.00 0.18 -1.35 103.07 107.98 1aab h GLY 57 Ca 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 47.33 45.82 1aab h GLY 57 CO 0.00 1.28 -0.25 1.70 0.00 0.00 0.00 176.54 179.27 1aab h LYS 58 N 0.18 0.00 0.00 4.80 3.11 -1.28 -2.43 116.57 120.95 1aab h LYS 58 Ca -0.22 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.48 1aab h LYS 58 Cb 2.06 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.27 1aab h LYS 58 CO 0.26 0.25 -0.95 0.74 -2.81 0.00 0.00 179.45 176.94 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.52 -2.90 116.94 114.46 1aab h PHE 59 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1aab h PHE 59 Cb 0.88 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 1aab h PHE 59 CO 0.00 0.58 -0.22 0.93 -0.60 0.00 0.00 178.31 179.01 1aab h GLU 60 N 0.00 0.00 0.10 1.51 4.39 -0.92 -2.30 114.58 117.36 1aab h GLU 60 Ca -0.08 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.36 1aab h GLU 60 Cb 1.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1aab h GLU 60 CO 0.06 0.22 -1.18 0.22 -1.16 0.00 0.00 179.01 177.17 1aab h ASP 61 N 0.00 0.44 -0.18 1.42 1.82 -1.29 -2.36 116.42 116.26 1aab h ASP 61 Ca -0.00 -0.44 -0.06 0.00 -0.39 0.00 0.00 57.03 56.14 1aab h ASP 61 Cb 0.84 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.70 1aab h ASP 61 CO 0.03 1.32 -0.11 0.24 -1.61 0.00 0.00 179.24 179.11 1aab h MET 62 N 0.10 0.40 -0.02 0.28 2.86 -1.29 0.17 114.93 117.43 1aab h MET 62 Ca -0.12 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.29 1aab h MET 62 Cb 1.89 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.53 1aab h MET 62 CO 0.19 0.72 -0.19 0.00 1.06 0.00 0.00 176.91 178.69 1aab h ALA 63 N 0.68 1.65 -0.05 6.32 0.00 -1.50 0.75 119.26 127.11 1aab h ALA 63 Ca 0.04 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1aab h ALA 63 Cb 0.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1aab h ALA 63 CO 0.03 0.26 -0.71 -0.22 0.00 0.00 0.00 179.25 178.61 1aab h LYS 64 N 0.03 0.25 -0.32 0.00 3.64 -1.03 -1.68 116.57 117.46 1aab h LYS 64 Ca 0.00 -0.21 -0.15 0.00 -1.27 0.00 0.00 60.65 59.03 1aab h LYS 64 Cb 0.35 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1aab h LYS 64 CO 0.03 0.86 -0.39 0.00 -2.27 0.00 0.00 179.45 177.67 1aab h ALA 65 N 1.08 0.48 -0.59 5.00 0.00 0.57 -2.70 119.26 123.10 1aab h ALA 65 Ca -0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 65 Cb 1.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1aab h ALA 65 CO 0.11 0.59 0.23 0.22 0.00 0.00 0.00 179.25 180.40 1aab h ASP 66 N 0.62 0.78 -0.83 0.00 1.82 -0.78 -0.15 116.42 117.87 1aab h ASP 66 Ca 0.04 -0.10 0.17 0.00 -0.39 0.00 0.00 57.03 56.75 1aab h ASP 66 Cb 0.99 -0.20 -0.06 0.00 0.68 0.00 0.00 39.33 40.74 1aab h ASP 66 CO 0.09 0.71 0.55 0.50 -1.61 0.00 0.00 179.24 179.48 1aab h LYS 67 N 0.85 0.44 0.04 0.28 3.64 -0.97 0.13 116.57 120.97 1aab h LYS 67 Ca 0.20 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1aab h LYS 67 Cb 0.17 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1aab h LYS 67 CO -0.02 0.29 -0.02 0.00 -2.27 0.00 0.00 179.45 177.43 1aab h ALA 68 N 1.62 -0.05 0.00 5.00 0.00 -0.98 -3.17 119.26 121.68 1aab h ALA 68 Ca 0.42 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1aab h ALA 68 Cb 0.96 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1aab h ALA 68 CO -0.15 -0.07 0.17 0.54 0.00 0.00 0.00 179.25 179.73 1aab n ARG 69 N -4.74 0.07 0.00 0.00 5.12 -0.41 -1.21 116.66 115.49 1aab n ARG 69 Ca -0.06 0.52 -0.20 0.00 -1.93 0.00 0.00 57.85 56.17 1aab n ARG 69 Cb 0.28 -1.90 -0.14 0.00 -1.16 0.00 0.00 32.46 29.55 1aab n ARG 69 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 1aab h TYR 70 N 0.00 0.39 0.00 -1.55 5.03 -0.75 -3.27 116.97 116.82 1aab h TYR 70 Ca 0.00 -0.28 -0.00 0.00 2.58 0.00 0.00 58.73 61.03 1aab h TYR 70 Cb 0.34 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.60 1aab h TYR 70 CO 0.00 1.42 -0.00 0.93 -1.32 0.00 0.00 178.16 179.19 1aab h GLU 71 N -0.46 -0.00 -0.78 1.82 5.08 -1.14 -3.01 114.58 116.10 1aab h GLU 71 Ca -0.23 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1aab h GLU 71 Cb 1.61 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.77 1aab h GLU 71 CO 0.06 0.91 0.38 0.00 -1.00 0.00 0.00 179.01 179.36 1aab h ARG 72 N -0.94 0.58 0.00 2.33 2.47 -1.49 0.16 114.38 117.49 1aab h ARG 72 Ca -0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1aab h ARG 72 Cb 0.91 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1aab h ARG 72 CO 0.00 0.38 0.00 0.93 0.56 0.00 0.00 179.97 181.84 1aab h GLU 73 N 0.60 0.00 -0.10 0.04 5.08 -1.69 -3.22 114.58 115.29 1aab h GLU 73 Ca 0.40 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1aab h GLU 73 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1aab h GLU 73 CO -0.32 0.00 0.05 1.98 -1.00 0.00 0.00 179.01 179.71 1aab h MET 74 N 0.00 0.10 0.00 2.33 4.05 -0.53 0.99 114.93 121.87 1aab h MET 74 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1aab h MET 74 Cb 0.61 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1aab h MET 74 CO 0.00 0.07 0.00 1.63 0.23 0.00 0.00 176.91 178.84 1aab n LYS 75 N -5.05 0.08 -1.31 0.39 4.76 -1.21 -2.13 118.16 113.69 1aab n LYS 75 Ca -0.05 0.13 -0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1aab n LYS 75 Cb 0.04 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.71 1aab n LYS 75 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1aab n THR 76 N -1.14 0.00 0.00 -0.18 -2.24 0.10 -5.02 114.28 105.80 1aab n THR 76 Ca 0.02 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1aab n THR 76 Cb 0.02 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1aab n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aab n TYR 77 N 0.31 0.00 -2.40 4.78 9.36 0.32 -4.99 117.16 124.55 1aab n TYR 77 Ca -0.07 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.14 1aab n TYR 77 Cb 0.98 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.68 1aab n TYR 77 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1aab n ILE 78 N -0.25 -9.44 -0.62 2.97 -0.00 -1.26 -4.93 119.36 105.83 1aab n ILE 78 Ca 0.00 2.16 -0.30 0.00 -0.00 0.00 0.00 62.75 64.61 1aab n ILE 78 Cb 0.00 -4.91 0.19 0.00 -0.00 0.00 0.00 39.64 34.92 1aab n ILE 78 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1aab n PRO 79 N 1.93 -0.99 0.00 0.38 -0.02 -1.26 -5.01 135.00 130.03 1aab n PRO 79 Ca -0.09 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 1aab n PRO 79 Cb 0.14 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1aab n PRO 79 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1aab n PRO 80 N -4.37 0.23 -1.39 0.52 -0.04 -1.26 -4.91 135.00 123.77 1aab n PRO 80 Ca 0.10 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.20 1aab n PRO 80 Cb 0.53 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.06 1aab n PRO 80 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1aab n LYS 81 N -0.57 2.68 -2.83 0.54 5.02 -1.26 -4.88 118.16 116.86 1aab n LYS 81 Ca 0.00 -3.28 -0.00 0.00 -2.02 0.00 0.00 58.31 53.01 1aab n LYS 81 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 1aab n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aab n GLY 82 N -0.84 -1.12 0.00 0.72 0.00 -1.26 -5.38 105.19 97.31 1aab n GLY 82 Ca 0.61 0.42 0.04 0.00 0.00 0.00 0.00 46.02 47.08 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50