#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 3.99 0.00 1.61 2.20 -1.26 -4.85 119.74 121.44 1aab s LYS 2 Ca 0.00 1.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1aab s LYS 2 Cb 0.00 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1aab s LYS 2 CO 0.00 -1.01 0.00 0.41 -0.36 0.00 0.00 175.35 174.39 1aab n GLY 3 N 4.12 1.92 2.59 5.54 0.00 -1.26 -5.09 105.19 113.01 1aab n GLY 3 Ca 0.14 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1aab n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aab n ASP 4 N 0.00 -2.10 -3.71 1.61 8.00 -1.26 -5.14 116.55 113.95 1aab n ASP 4 Ca 0.00 -2.98 0.00 0.00 0.71 0.00 0.00 54.79 52.52 1aab n ASP 4 Cb 0.00 1.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 1aab n ASP 4 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1aab n PRO 5 N 2.02 1.61 -0.58 -0.24 -0.02 -1.26 -4.03 135.00 132.51 1aab n PRO 5 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1aab n PRO 5 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 1aab n PRO 5 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1aab n LYS 6 N 0.00 -1.02 -2.83 -0.52 5.02 -1.26 -4.90 118.16 112.64 1aab n LYS 6 Ca 0.00 0.20 -0.25 0.00 -2.02 0.00 0.00 58.31 56.23 1aab n LYS 6 Cb 0.00 -4.06 0.01 0.00 -0.02 0.00 0.00 35.03 30.96 1aab n LYS 6 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1aab s LYS 7 N -1.16 3.31 0.77 1.97 1.02 -1.26 -4.97 119.74 119.43 1aab s LYS 7 Ca 0.00 -0.11 -0.15 0.00 0.02 0.00 0.00 55.97 55.73 1aab s LYS 7 Cb 0.00 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 1aab s LYS 7 CO 0.00 -0.23 0.54 -2.30 -0.92 0.00 0.00 175.35 172.44 1aab n PRO 8 N -2.17 0.19 0.00 -1.68 -0.02 -1.26 -4.81 135.00 125.25 1aab n PRO 8 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1aab n PRO 8 Cb 0.56 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.02 0.76 -2.91 -0.52 0.63 -1.26 -4.88 116.66 107.46 1aab n ARG 9 Ca 0.10 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.93 1aab n ARG 9 Cb 0.51 -1.06 0.01 0.00 0.45 0.00 0.00 32.46 32.37 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 0.24 -1.22 3.58 5.14 0.00 -1.26 -4.82 105.19 106.84 1aab n GLY 10 Ca 0.00 1.20 -0.46 0.00 0.00 0.00 0.00 46.02 46.76 1aab n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aab n LYS 11 N -0.41 1.24 -2.42 1.61 4.01 -1.26 -4.97 118.16 115.95 1aab n LYS 11 Ca 0.10 0.43 -0.24 0.00 -0.51 0.00 0.00 58.31 58.09 1aab n LYS 11 Cb 0.48 -1.82 0.09 0.00 -0.51 0.00 0.00 35.03 33.27 1aab n LYS 11 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1aab s MET 12 N -1.22 1.90 0.72 1.97 -1.94 -1.26 -5.06 119.30 114.42 1aab s MET 12 Ca 0.63 -0.73 0.01 0.00 -1.71 0.00 0.00 55.69 53.89 1aab s MET 12 Cb -0.75 -2.27 0.14 0.00 2.01 0.00 0.00 34.83 33.96 1aab s MET 12 CO 0.58 -1.33 0.99 -1.12 -0.01 0.00 0.00 175.02 174.13 1aab s SER 13 N -4.62 4.32 0.35 3.03 0.01 -1.26 -4.81 113.70 110.71 1aab s SER 13 Ca 0.63 -0.50 0.11 0.00 1.31 0.00 0.00 55.95 57.50 1aab s SER 13 Cb -0.08 0.17 0.63 0.00 0.21 0.00 0.00 66.02 66.96 1aab s SER 13 CO 0.44 -1.89 1.78 -1.28 0.41 0.00 0.00 173.24 172.70 1aab h SER 14 N -0.51 0.06 0.03 2.44 0.87 -1.92 -1.90 113.55 112.62 1aab h SER 14 Ca -0.34 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1aab h SER 14 Cb 1.27 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1aab h SER 14 CO 0.38 0.45 -0.01 0.22 -0.53 0.00 0.00 176.83 177.34 1aab h TYR 15 N 0.05 -0.04 -0.34 2.24 3.20 -1.94 -2.92 116.97 117.23 1aab h TYR 15 Ca 0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 1aab h TYR 15 Cb 0.72 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1aab h TYR 15 CO 0.00 0.64 0.32 0.00 -1.64 0.00 0.00 178.16 177.49 1aab h ALA 16 N 0.08 2.09 -0.05 1.82 0.00 -1.92 0.50 119.26 121.78 1aab h ALA 16 Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1aab h ALA 16 Cb 0.70 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1aab h ALA 16 CO 0.01 -0.49 -0.60 0.74 0.00 0.00 0.00 179.25 178.90 1aab h PHE 17 N 0.00 0.23 0.00 0.00 0.04 -1.25 -1.28 116.94 114.67 1aab h PHE 17 Ca 0.16 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1aab h PHE 17 Cb 0.80 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.91 1aab h PHE 17 CO 0.00 0.73 0.00 0.35 -0.60 0.00 0.00 178.31 178.79 1aab h PHE 18 N 0.13 0.00 0.09 -0.55 3.04 0.10 -2.95 116.94 116.80 1aab h PHE 18 Ca -0.01 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.81 1aab h PHE 18 Cb 1.10 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.62 1aab h PHE 18 CO 0.02 0.00 -0.56 0.28 -2.02 0.00 0.00 178.31 176.02 1aab h VAL 19 N 0.00 1.59 -0.01 1.41 2.07 -0.40 0.22 116.25 121.14 1aab h VAL 19 Ca 0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1aab h VAL 19 Cb 0.90 3.22 -0.00 0.00 -1.52 0.00 0.00 31.29 33.89 1aab h VAL 19 CO 0.00 0.68 0.01 0.06 0.02 0.00 0.00 177.57 178.34 1aab h GLN 20 N -0.54 0.00 0.07 1.57 -0.00 -1.28 1.19 115.11 116.13 1aab h GLN 20 Ca -0.10 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.28 1aab h GLN 20 Cb 1.43 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.89 1aab h GLN 20 CO 0.11 0.00 -1.34 1.15 -0.00 0.00 0.00 178.83 178.75 1aab h THR 21 N 0.00 1.35 0.00 1.86 2.02 -1.41 -3.04 112.91 113.69 1aab h THR 21 Ca 0.00 -3.02 0.00 0.00 0.77 0.00 0.00 66.41 64.16 1aab h THR 21 Cb 0.02 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1aab h THR 21 CO -0.00 0.84 -0.41 0.28 0.37 0.00 0.00 175.52 176.60 1aab h SER 22 N 0.04 0.00 0.10 4.18 0.02 0.14 -3.29 113.55 114.75 1aab h SER 22 Ca -0.16 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1aab h SER 22 Cb 1.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.48 1aab h SER 22 CO 0.15 0.07 -0.05 -0.09 -1.14 0.00 0.00 176.83 175.77 1aab h ARG 23 N 0.00 -0.13 -0.29 3.45 2.43 0.13 0.53 114.38 120.50 1aab h ARG 23 Ca 0.00 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1aab h ARG 23 Cb 0.76 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1aab h ARG 23 CO 0.00 0.38 0.21 1.49 -1.51 0.00 0.00 179.97 180.54 1aab h GLU 24 N -0.78 0.00 0.00 0.20 4.22 -1.64 0.22 114.58 116.80 1aab h GLU 24 Ca -0.01 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.22 1aab h GLU 24 Cb 0.57 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1aab h GLU 24 CO 0.02 0.00 -0.97 0.93 -2.18 0.00 0.00 179.01 176.82 1aab h GLU 25 N 0.00 0.00 0.00 1.92 5.08 -1.59 -3.24 114.58 116.75 1aab h GLU 25 Ca 0.14 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1aab h GLU 25 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1aab h GLU 25 CO -0.00 0.95 -0.33 1.25 -1.00 0.00 0.00 179.01 179.88 1aab h HIS 26 N 0.00 0.00 0.00 4.33 -0.00 0.17 -3.11 115.15 116.54 1aab h HIS 26 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1aab h HIS 26 Cb 1.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.15 1aab h HIS 26 CO 0.00 0.31 0.00 1.17 -0.00 0.00 0.00 177.93 179.41 1aab n LYS 27 N -3.17 0.06 0.04 5.26 4.81 0.27 -1.05 118.16 124.38 1aab n LYS 27 Ca 0.03 0.11 0.13 0.00 -0.87 0.00 0.00 58.31 57.71 1aab n LYS 27 Cb 0.66 -1.50 0.48 0.00 0.02 0.00 0.00 35.03 34.69 1aab n LYS 27 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1aab n LYS 28 N -1.12 0.11 -2.71 1.64 4.76 -1.18 -4.42 118.16 115.25 1aab n LYS 28 Ca 0.02 0.08 -0.07 0.00 -2.87 0.00 0.00 58.31 55.46 1aab n LYS 28 Cb 0.01 -1.61 0.09 0.00 -1.84 0.00 0.00 35.03 31.68 1aab n LYS 28 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1aab n LYS 29 N -1.79 0.81 -2.75 1.97 2.85 -0.22 -5.04 118.16 114.00 1aab n LYS 29 Ca 0.06 -1.58 -0.08 0.00 -1.05 0.00 0.00 58.31 55.66 1aab n LYS 29 Cb 0.38 -0.61 0.06 0.00 -0.65 0.00 0.00 35.03 34.20 1aab n LYS 29 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1aab n HIS 30 N 0.17 -3.17 0.12 5.58 8.25 -1.21 -4.98 115.22 119.98 1aab n HIS 30 Ca -0.00 -1.90 -0.00 0.00 -0.26 0.00 0.00 57.72 55.56 1aab n HIS 30 Cb 0.73 1.58 0.00 0.00 1.12 0.00 0.00 29.99 33.43 1aab n HIS 30 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1aab h PRO 31 N 3.65 0.00 0.18 -0.41 0.13 -1.91 -3.28 132.00 130.37 1aab h PRO 31 Ca -0.13 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.73 1aab h PRO 31 Cb 1.05 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.21 1aab h PRO 31 CO 0.26 0.65 -1.22 0.22 -0.23 0.00 0.00 178.00 177.69 1aab h ASP 32 N 0.00 0.60 -0.98 1.44 3.58 -2.02 -3.33 116.42 115.71 1aab h ASP 32 Ca -0.01 -0.93 0.08 0.00 0.42 0.00 0.00 57.03 56.59 1aab h ASP 32 Cb 1.47 -0.20 -0.07 0.00 1.72 0.00 0.00 39.33 42.25 1aab h ASP 32 CO 0.09 1.57 0.63 0.00 -2.88 0.00 0.00 179.24 178.65 1aab h ALA 33 N 0.09 1.46 0.00 -0.78 0.00 -1.97 -3.44 119.26 114.61 1aab h ALA 33 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1aab h ALA 33 Cb 1.88 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1aab h ALA 33 CO 0.18 0.38 0.00 0.43 0.00 0.00 0.00 179.25 180.24 1aab n SER 34 N -4.52 -1.16 -2.91 0.00 7.64 -1.24 -4.00 113.62 107.45 1aab n SER 34 Ca 0.16 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.02 1aab n SER 34 Cb 0.22 -2.47 -0.01 0.00 -1.01 0.00 0.00 64.21 60.94 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 -1.74 -7.10 0.57 0.44 0.31 -1.26 -4.89 118.33 104.66 1aab n VAL 35 Ca 0.00 1.29 0.08 0.00 -0.01 0.00 0.00 64.34 65.70 1aab n VAL 35 Cb 0.10 -4.82 0.23 0.00 -0.91 0.00 0.00 33.84 28.44 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 1.45 2.51 -0.95 4.52 3.02 -1.26 -4.88 115.26 119.66 1aab n ASN 36 Ca -0.09 -1.96 -0.09 0.00 -0.03 0.00 0.00 54.58 52.41 1aab n ASN 36 Cb 0.29 -0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.87 -0.27 -1.95 3.10 3.72 -1.26 -4.49 117.46 117.18 1aab n PHE 37 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1aab n PHE 37 Cb 0.41 -2.19 0.00 0.00 -0.94 0.00 0.00 39.48 36.76 1aab n PHE 37 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1aab n SER 38 N -0.15 0.00 0.00 4.37 2.88 -1.26 -4.72 113.62 114.74 1aab n SER 38 Ca -0.09 -1.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.93 1aab n SER 38 Cb 0.39 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1aab n SER 38 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1aab n GLU 39 N 0.00 0.86 -0.08 -1.46 2.13 -1.26 -4.93 120.64 115.89 1aab n GLU 39 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 1aab n GLU 39 Cb 0.60 -0.11 -0.12 0.00 0.27 0.00 0.00 31.44 32.08 1aab n GLU 39 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1aab n PHE 40 N -0.18 0.70 0.24 4.31 7.35 -1.26 -4.08 117.46 124.55 1aab n PHE 40 Ca 0.00 0.21 0.17 0.00 -0.76 0.00 0.00 57.45 57.07 1aab n PHE 40 Cb 0.00 -1.08 0.81 0.00 0.35 0.00 0.00 39.48 39.56 1aab n PHE 40 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1aab h SER 41 N -0.41 0.00 -0.45 -2.13 4.64 -1.92 0.51 113.55 113.79 1aab h SER 41 Ca -0.49 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1aab h SER 41 Cb 1.75 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.81 1aab h SER 41 CO -0.12 0.00 0.30 0.11 -0.87 0.00 0.00 176.83 176.25 1aab h LYS 42 N 0.00 0.56 0.10 4.77 6.56 -1.93 0.20 116.57 126.84 1aab h LYS 42 Ca 0.07 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1aab h LYS 42 Cb 0.76 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1aab h LYS 42 CO -0.00 0.37 -0.05 -0.22 -2.06 0.00 0.00 179.45 177.49 1aab h LYS 43 N 0.58 -0.14 -0.28 3.15 3.64 -0.21 -3.05 116.57 120.27 1aab h LYS 43 Ca 0.17 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1aab h LYS 43 Cb -0.03 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1aab h LYS 43 CO -0.04 0.31 0.19 0.00 -2.27 0.00 0.00 179.45 177.64 1aab h SER 45 N 0.13 0.56 0.55 0.00 0.87 -0.67 0.38 113.55 115.36 1aab h SER 45 Ca 0.13 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1aab h SER 45 Cb 0.35 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1aab h SER 45 CO -0.02 0.49 0.00 1.21 -0.53 0.00 0.00 176.83 177.98 1aab n GLU 46 N -4.70 0.04 -0.00 2.24 2.13 -0.34 -1.18 120.64 118.84 1aab n GLU 46 Ca 0.01 0.29 0.09 0.00 0.66 0.00 0.00 57.16 58.21 1aab n GLU 46 Cb 0.08 -1.58 -0.11 0.00 0.27 0.00 0.00 31.44 30.10 1aab n GLU 46 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1aab n ARG 47 N -1.65 0.70 -0.07 5.31 0.63 0.07 -4.39 116.66 117.26 1aab n ARG 47 Ca 0.03 -0.02 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 1aab n ARG 47 Cb 0.18 -1.41 -0.02 0.00 0.45 0.00 0.00 32.46 31.66 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 -1.55 0.00 0.22 -0.14 -0.00 0.11 -4.37 117.44 111.71 1aab n TRP 48 Ca 0.03 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.59 1aab n TRP 48 Cb 0.33 -0.41 0.35 0.00 -0.00 0.00 0.00 31.31 31.58 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 -0.81 0.00 0.16 5.87 1.57 -1.39 0.23 116.57 122.20 1aab h LYS 49 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1aab h LYS 49 Cb 0.81 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.13 1aab h LYS 49 CO 0.00 0.00 -1.41 0.00 -0.57 0.00 0.00 179.45 177.47 1aab h THR 50 N 0.00 1.32 -2.61 -0.16 1.03 -1.77 -3.47 112.91 107.25 1aab h THR 50 Ca 0.00 -2.88 -0.31 0.00 -0.01 0.00 0.00 66.41 63.22 1aab h THR 50 Cb 0.94 2.91 0.18 0.00 -1.07 0.00 0.00 68.15 71.10 1aab h THR 50 CO 0.00 0.85 -0.15 0.23 -0.01 0.00 0.00 175.52 176.45 1aab n MET 51 N -3.56 -4.44 -4.19 0.00 2.81 0.81 -5.04 117.12 103.51 1aab n MET 51 Ca -0.14 -1.22 -0.23 0.00 -1.81 0.00 0.00 57.70 54.31 1aab n MET 51 Cb 1.05 -1.59 -0.06 0.00 -0.71 0.00 0.00 33.22 31.91 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 -2.93 4.78 0.61 7.83 0.01 -1.26 -4.96 113.70 117.78 1aab s SER 52 Ca 0.56 -0.61 0.28 0.00 1.31 0.00 0.00 55.95 57.49 1aab s SER 52 Cb -0.10 -0.91 1.40 0.00 0.21 0.00 0.00 66.02 66.62 1aab s SER 52 CO 0.47 -0.10 1.81 0.00 0.41 0.00 0.00 173.24 175.82 1aab h ALA 53 N 1.70 2.01 0.49 1.44 0.00 -1.96 -0.34 119.26 122.59 1aab h ALA 53 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1aab h ALA 53 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1aab h ALA 53 CO 0.61 -0.72 -0.23 0.87 0.00 0.00 0.00 179.25 179.78 1aab h LYS 54 N 0.00 -0.63 -0.11 0.00 1.57 -1.97 0.95 116.57 116.38 1aab h LYS 54 Ca 0.17 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 1aab h LYS 54 Cb 1.23 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1aab h LYS 54 CO -0.00 -0.42 -0.23 0.93 -0.57 0.00 0.00 179.45 179.16 1aab h GLU 55 N -0.66 0.35 0.00 3.15 5.08 -1.52 -2.33 114.58 118.65 1aab h GLU 55 Ca -0.07 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1aab h GLU 55 Cb 0.51 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1aab h GLU 55 CO 0.11 0.83 0.00 1.63 -1.00 0.00 0.00 179.01 180.58 1aab n LYS 56 N -4.49 0.30 0.09 2.33 5.02 -0.42 -1.93 118.16 119.05 1aab n LYS 56 Ca -0.07 0.10 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 1aab n LYS 56 Cb 0.43 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 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 2.29 0.47 2.00 0.72 0.00 0.15 -2.07 103.07 106.63 1aab h GLY 57 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 47.33 46.10 1aab h GLY 57 CO 0.00 1.04 -0.19 1.70 0.00 0.00 0.00 176.54 179.09 1aab h LYS 58 N -0.12 0.00 0.00 4.80 3.11 -1.29 -2.07 116.57 121.00 1aab h LYS 58 Ca -0.22 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.44 1aab h LYS 58 Cb 1.91 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 33.11 1aab h LYS 58 CO 0.20 0.19 -0.98 0.74 -2.81 0.00 0.00 179.45 176.79 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.56 -2.93 116.94 114.40 1aab h PHE 59 Ca -0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 1aab h PHE 59 Cb 0.69 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1aab h PHE 59 CO 0.00 0.80 -0.31 0.93 -0.60 0.00 0.00 178.31 179.13 1aab h GLU 60 N 0.00 0.00 -0.16 1.51 4.39 -0.79 -1.15 114.58 118.38 1aab h GLU 60 Ca -0.06 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.43 1aab h GLU 60 Cb 1.66 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.32 1aab h GLU 60 CO 0.09 0.31 -0.71 0.22 -1.16 0.00 0.00 179.01 177.76 1aab h ASP 61 N 0.00 0.90 -0.09 1.42 1.82 -1.22 -0.33 116.42 118.92 1aab h ASP 61 Ca -0.00 -0.62 -0.03 0.00 -0.39 0.00 0.00 57.03 55.99 1aab h ASP 61 Cb 0.84 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.58 1aab h ASP 61 CO 0.04 1.37 -0.05 0.24 -1.61 0.00 0.00 179.24 179.23 1aab h MET 62 N 0.48 0.20 0.00 0.28 2.86 -1.34 0.20 114.93 117.62 1aab h MET 62 Ca -0.04 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1aab h MET 62 Cb 1.34 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.00 1aab h MET 62 CO 0.15 0.57 -0.03 0.00 1.06 0.00 0.00 176.91 178.65 1aab h ALA 63 N 0.63 1.77 0.03 6.32 0.00 -1.24 0.50 119.26 127.27 1aab h ALA 63 Ca 0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1aab h ALA 63 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1aab h ALA 63 CO 0.01 0.04 -0.97 -0.22 0.00 0.00 0.00 179.25 178.11 1aab h LYS 64 N 0.00 0.11 -0.13 0.00 3.64 -0.57 -1.81 116.57 117.81 1aab h LYS 64 Ca -0.00 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 1aab h LYS 64 Cb 0.07 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1aab h LYS 64 CO 0.00 0.99 -0.28 0.00 -2.27 0.00 0.00 179.45 177.90 1aab h ALA 65 N 0.95 0.21 -0.74 5.00 0.00 0.92 -2.97 119.26 122.63 1aab h ALA 65 Ca -0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1aab h ALA 65 Cb 1.67 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1aab h ALA 65 CO 0.14 0.22 0.33 0.22 0.00 0.00 0.00 179.25 180.16 1aab h ASP 66 N 0.02 0.99 -0.92 0.00 1.82 -1.02 -1.56 116.42 115.76 1aab h ASP 66 Ca 0.00 -0.13 0.20 0.00 -0.39 0.00 0.00 57.03 56.72 1aab h ASP 66 Cb 0.87 -0.25 -0.07 0.00 0.68 0.00 0.00 39.33 40.56 1aab h ASP 66 CO 0.06 0.86 0.60 0.50 -1.61 0.00 0.00 179.24 179.65 1aab h LYS 67 N 1.07 0.43 0.00 0.28 3.64 -1.17 0.56 116.57 121.37 1aab h LYS 67 Ca 0.25 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 1aab h LYS 67 Cb 0.16 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1aab h LYS 67 CO -0.03 0.28 -0.57 0.00 -2.27 0.00 0.00 179.45 176.87 1aab h ALA 68 N 1.61 1.01 0.00 5.00 0.00 -1.17 -2.58 119.26 123.14 1aab h ALA 68 Ca 0.48 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1aab h ALA 68 Cb 1.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1aab h ALA 68 CO -0.20 0.71 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1aab h ARG 69 N 0.00 0.00 0.00 0.00 2.47 0.28 -1.29 114.38 115.84 1aab h ARG 69 Ca -0.01 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.56 1aab h ARG 69 Cb 1.04 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.33 1aab h ARG 69 CO 0.07 0.00 -0.87 -0.92 0.56 0.00 0.00 179.97 178.82 1aab h TYR 70 N 0.00 0.00 -0.26 3.04 5.03 -1.09 -3.19 116.97 120.49 1aab h TYR 70 Ca 0.00 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1aab h TYR 70 Cb 0.45 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 1aab h TYR 70 CO 0.00 1.30 -0.00 0.93 -1.32 0.00 0.00 178.16 179.07 1aab h GLU 71 N -1.00 0.46 -0.75 1.82 5.08 -1.50 -1.52 114.58 117.18 1aab h GLU 71 Ca -0.24 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 57.92 1aab h GLU 71 Cb 1.19 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1aab h GLU 71 CO -0.14 0.63 0.24 0.00 -1.00 0.00 0.00 179.01 178.74 1aab h ARG 72 N 0.25 1.16 0.00 2.33 2.47 -1.43 -2.02 114.38 117.13 1aab h ARG 72 Ca 0.07 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1aab h ARG 72 Cb 0.42 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1aab h ARG 72 CO 0.01 0.98 0.00 0.39 0.56 0.00 0.00 179.97 181.91 1aab n GLU 73 N -4.27 0.52 0.14 0.04 -0.58 -1.18 -3.43 120.64 111.89 1aab n GLU 73 Ca 0.06 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.83 1aab n GLU 73 Cb 0.22 -1.50 0.40 0.00 -0.57 0.00 0.00 31.44 30.00 1aab n GLU 73 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1aab h MET 74 N 0.00 0.18 -0.38 3.49 4.05 -0.49 -1.35 114.93 120.43 1aab h MET 74 Ca 0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1aab h MET 74 Cb 0.23 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1aab h MET 74 CO 0.00 0.35 0.00 1.63 0.23 0.00 0.00 176.91 179.12 1aab n LYS 75 N -4.26 1.35 0.00 0.39 5.02 -1.22 -3.35 118.16 116.08 1aab n LYS 75 Ca -0.01 -0.41 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 1aab n LYS 75 Cb 0.28 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1aab n LYS 75 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1aab n THR 76 N -0.10 0.00 0.00 -0.18 -2.24 -0.54 -4.93 114.28 106.29 1aab n THR 76 Ca 0.04 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1aab n THR 76 Cb 0.19 1.70 0.00 0.00 -2.10 0.00 0.00 70.33 70.11 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 -0.00 0.00 -2.92 4.78 9.36 -1.01 -5.01 117.16 122.36 1aab n TYR 77 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 1aab n TYR 77 Cb 0.17 -0.01 -0.01 0.00 -0.63 0.00 0.00 39.34 38.86 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 -0.53 -6.59 -1.18 2.97 -0.00 -1.26 -4.96 119.36 107.80 1aab n ILE 78 Ca 0.00 1.22 -0.29 0.00 -0.00 0.00 0.00 62.75 63.67 1aab n ILE 78 Cb 0.00 -4.60 0.15 0.00 -0.00 0.00 0.00 39.64 35.19 1aab n ILE 78 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1aab s PRO 79 N -0.80 1.02 0.00 0.38 0.04 -1.26 -5.05 135.00 129.33 1aab s PRO 79 Ca -0.07 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1aab s PRO 79 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1aab s PRO 79 CO 0.37 -2.39 0.00 -0.35 0.04 0.00 0.00 177.00 174.67 1aab n PRO 80 N -3.97 1.43 -0.64 0.56 -0.04 -1.26 -4.77 135.00 126.30 1aab n PRO 80 Ca 0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1aab n PRO 80 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.00 1.28 0.00 0.54 4.76 -1.26 -4.49 118.16 118.99 1aab n LYS 81 Ca 0.00 -0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.14 1aab n LYS 81 Cb 0.00 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1aab n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aab n GLY 82 N 1.74 1.57 0.00 0.72 0.00 -1.26 -5.36 105.19 102.60 1aab n GLY 82 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50