#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aab h LYS 2 N 0.00 -0.67 -0.39 1.61 3.11 -2.14 -3.50 116.57 114.59 1aab h LYS 2 Ca 0.00 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1aab h LYS 2 Cb 0.00 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1aab h LYS 2 CO 0.00 -0.44 -0.10 0.41 -2.81 0.00 0.00 179.45 176.51 1aab n GLY 3 N -0.46 -3.20 2.62 5.01 0.00 -1.26 -5.03 105.19 102.87 1aab n GLY 3 Ca -0.09 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.90 -2.25 0.14 1.61 8.00 -1.26 -4.98 116.55 116.90 1aab n ASP 4 Ca 0.00 -3.09 0.09 0.00 0.71 0.00 0.00 54.79 52.50 1aab n ASP 4 Cb 0.00 1.22 0.46 0.00 -0.02 0.00 0.00 41.12 42.78 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 1.84 0.11 0.00 -0.24 -0.02 -1.26 -1.47 135.00 133.96 1aab n PRO 5 Ca 0.14 0.60 0.01 0.00 -2.02 0.00 0.00 63.50 62.22 1aab n PRO 5 Cb 0.59 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.20 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 -2.10 0.02 -0.68 -0.52 4.01 -1.26 -4.71 118.16 112.93 1aab n LYS 6 Ca -0.01 0.21 -0.31 0.00 -0.51 0.00 0.00 58.31 57.69 1aab n LYS 6 Cb 0.07 -1.50 0.17 0.00 -0.51 0.00 0.00 35.03 33.26 1aab n LYS 6 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1aab n LYS 7 N -1.22 -0.83 -0.67 1.97 5.02 -0.54 -4.39 118.16 117.50 1aab n LYS 7 Ca 0.01 -0.20 -0.32 0.00 -2.02 0.00 0.00 58.31 55.78 1aab n LYS 7 Cb 0.01 -2.11 0.18 0.00 -0.02 0.00 0.00 35.03 33.09 1aab n LYS 7 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1aab n PRO 8 N -3.32 -1.63 0.00 1.97 -0.02 -1.26 -4.88 135.00 125.86 1aab n PRO 8 Ca 0.08 -0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 1aab n PRO 8 Cb 0.54 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1aab n PRO 8 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1aab n ARG 9 N -2.18 0.00 0.00 -0.52 5.12 -1.26 -4.88 116.66 112.94 1aab n ARG 9 Ca 0.01 0.76 0.00 0.00 -1.93 0.00 0.00 57.85 56.68 1aab n ARG 9 Cb 0.62 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 1aab n ARG 9 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aab n GLY 10 N -0.99 0.00 3.57 -0.13 0.00 -1.26 -4.98 105.19 101.40 1aab n GLY 10 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1aab n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aab n LYS 11 N 0.00 -2.82 -0.88 1.61 4.81 -1.26 -4.94 118.16 114.68 1aab n LYS 11 Ca 0.00 0.63 -0.30 0.00 -0.87 0.00 0.00 58.31 57.77 1aab n LYS 11 Cb 0.00 -4.97 0.18 0.00 0.02 0.00 0.00 35.03 30.26 1aab n LYS 11 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1aab s MET 12 N -5.54 0.55 0.78 1.64 -1.94 -1.26 -5.00 119.30 108.54 1aab s MET 12 Ca 0.30 1.02 -0.05 0.00 -1.71 0.00 0.00 55.69 55.26 1aab s MET 12 Cb -0.08 -1.71 0.15 0.00 2.01 0.00 0.00 34.83 35.19 1aab s MET 12 CO 0.81 -2.78 1.08 -1.12 -0.01 0.00 0.00 175.02 173.00 1aab s SER 13 N -2.96 4.02 0.25 3.03 0.01 -1.26 -4.76 113.70 112.04 1aab s SER 13 Ca 0.66 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.73 1aab s SER 13 Cb -0.21 -0.08 0.29 0.00 0.21 0.00 0.00 66.02 66.23 1aab s SER 13 CO 0.59 -2.09 1.62 0.77 0.41 0.00 0.00 173.24 174.54 1aab h SER 14 N -0.82 0.46 0.00 2.44 4.64 -1.92 -2.07 113.55 116.28 1aab h SER 14 Ca -0.38 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1aab h SER 14 Cb 1.26 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1aab h SER 14 CO 0.40 0.83 -0.00 0.22 -0.87 0.00 0.00 176.83 177.41 1aab h TYR 15 N 0.35 -0.00 -0.47 4.77 3.20 -1.94 -3.02 116.97 119.87 1aab h TYR 15 Ca 0.03 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.03 1aab h TYR 15 Cb 0.90 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1aab h TYR 15 CO 0.03 0.70 0.41 0.00 -1.64 0.00 0.00 178.16 177.66 1aab h ALA 16 N 0.29 2.27 -0.10 1.82 0.00 -1.93 0.52 119.26 122.12 1aab h ALA 16 Ca -0.00 -0.02 -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 18.52 1aab h ALA 16 CO 0.00 -0.65 -0.57 0.74 0.00 0.00 0.00 179.25 178.77 1aab h PHE 17 N 0.00 0.41 0.00 0.00 0.04 -1.25 -1.09 116.94 115.05 1aab h PHE 17 Ca 0.22 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1aab h PHE 17 Cb 1.04 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.12 1aab h PHE 17 CO 0.00 0.81 0.00 0.35 -0.60 0.00 0.00 178.31 178.87 1aab h PHE 18 N 0.25 0.00 0.06 -0.55 3.57 0.08 -2.87 116.94 117.48 1aab h PHE 18 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1aab h PHE 18 Cb 1.07 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.81 1aab h PHE 18 CO 0.03 0.00 -0.41 0.28 -2.23 0.00 0.00 178.31 175.97 1aab h VAL 19 N 0.00 1.63 -0.04 1.41 2.07 -0.55 -1.10 116.25 119.66 1aab h VAL 19 Ca 0.00 -2.42 0.01 0.00 0.82 0.00 0.00 66.70 65.11 1aab h VAL 19 Cb 0.85 3.26 -0.00 0.00 -1.52 0.00 0.00 31.29 33.87 1aab h VAL 19 CO 0.00 0.65 0.05 0.06 0.02 0.00 0.00 177.57 178.35 1aab h GLN 20 N -0.73 0.00 0.08 1.57 -0.00 -1.24 1.10 115.11 115.89 1aab h GLN 20 Ca -0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.32 1aab h GLN 20 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.77 1aab h GLN 20 CO 0.06 0.00 -1.14 1.15 -0.00 0.00 0.00 178.83 178.89 1aab h THR 21 N 0.00 1.54 0.00 1.86 2.02 -1.46 -2.39 112.91 114.49 1aab h THR 21 Ca 0.02 -3.07 0.00 0.00 0.77 0.00 0.00 66.41 64.13 1aab h THR 21 Cb 0.13 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1aab h THR 21 CO -0.00 0.89 -0.39 0.28 0.37 0.00 0.00 175.52 176.68 1aab h SER 22 N 0.07 0.00 0.12 4.18 0.02 0.80 -3.23 113.55 115.52 1aab h SER 22 Ca -0.10 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1aab h SER 22 Cb 1.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 1aab h SER 22 CO 0.18 0.01 -0.06 -0.09 -1.14 0.00 0.00 176.83 175.73 1aab h ARG 23 N 0.00 -0.16 -0.20 3.45 2.43 0.11 -1.40 114.38 118.61 1aab h ARG 23 Ca 0.00 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1aab h ARG 23 Cb 0.95 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1aab h ARG 23 CO 0.00 0.30 0.16 1.49 -1.51 0.00 0.00 179.97 180.41 1aab h GLU 24 N -0.89 0.00 0.00 0.20 4.81 -1.55 0.30 114.58 117.44 1aab h GLU 24 Ca -0.02 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1aab h GLU 24 Cb 0.53 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1aab h GLU 24 CO 0.03 0.00 -0.52 0.93 -0.73 0.00 0.00 179.01 178.71 1aab h GLU 25 N 0.00 0.00 0.00 1.92 5.08 -1.56 -3.24 114.58 116.78 1aab h GLU 25 Ca 0.09 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 1aab h GLU 25 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1aab h GLU 25 CO -0.00 0.52 -1.14 1.25 -1.00 0.00 0.00 179.01 178.64 1aab h HIS 26 N 0.00 0.00 -0.05 4.33 -0.00 0.58 -3.29 115.15 116.72 1aab h HIS 26 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1aab h HIS 26 Cb 1.40 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.81 1aab h HIS 26 CO 0.00 0.73 0.28 -0.22 -0.00 0.00 0.00 177.93 178.72 1aab h LYS 27 N 0.00 0.00 0.09 5.26 3.64 -0.66 0.69 116.57 125.59 1aab h LYS 27 Ca -0.11 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.07 1aab h LYS 27 Cb 1.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1aab h LYS 27 CO 0.08 0.00 -0.95 0.87 -2.27 0.00 0.00 179.45 177.17 1aab h LYS 28 N 0.00 0.20 -0.66 1.90 1.79 -1.73 -3.33 116.57 114.74 1aab h LYS 28 Ca 0.02 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1aab h LYS 28 Cb 0.59 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1aab h LYS 28 CO -0.00 1.16 0.00 1.17 -1.08 0.00 0.00 179.45 180.70 1aab n LYS 29 N -4.16 3.45 -2.83 3.15 3.00 -0.51 -4.40 118.16 115.86 1aab n LYS 29 Ca -0.19 -2.19 -0.11 0.00 -0.00 0.00 0.00 58.31 55.81 1aab n LYS 29 Cb 0.78 -1.91 0.06 0.00 0.00 0.00 0.00 35.03 33.97 1aab n LYS 29 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1aab n HIS 30 N 0.60 -2.02 0.35 5.64 8.25 0.12 -4.96 115.22 123.20 1aab n HIS 30 Ca 0.20 -2.53 0.14 0.00 -0.26 0.00 0.00 57.72 55.27 1aab n HIS 30 Cb 0.82 1.10 0.54 0.00 1.12 0.00 0.00 29.99 33.57 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 2.92 0.00 0.00 -0.41 0.13 -1.77 -3.20 132.00 129.68 1aab h PRO 31 Ca -0.07 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.73 1aab h PRO 31 Cb 1.09 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 1aab h PRO 31 CO 0.21 0.00 -2.09 -0.40 -0.23 0.00 0.00 178.00 175.49 1aab n ASP 32 N -2.70 0.52 -0.18 1.44 5.68 -1.26 -4.31 116.55 115.72 1aab n ASP 32 Ca 0.02 0.18 0.17 0.00 -0.50 0.00 0.00 54.79 54.66 1aab n ASP 32 Cb 0.31 0.43 0.52 0.00 -1.14 0.00 0.00 41.12 41.25 1aab n ASP 32 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aab h ALA 33 N 0.93 2.19 0.00 2.12 0.00 -1.95 -3.44 119.26 119.12 1aab h ALA 33 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1aab h ALA 33 Cb 2.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1aab h ALA 33 CO 0.05 -0.42 0.00 0.45 0.00 0.00 0.00 179.25 179.33 1aab n SER 34 N -4.48 0.00 -3.05 0.00 2.88 -1.26 -4.28 113.62 103.44 1aab n SER 34 Ca 0.16 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.65 1aab n SER 34 Cb 0.61 -0.94 0.01 0.00 -0.75 0.00 0.00 64.21 63.13 1aab n SER 34 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1aab n VAL 35 N -1.96 -6.29 1.17 2.46 0.31 -1.26 -4.76 118.33 107.99 1aab n VAL 35 Ca 0.00 0.93 0.06 0.00 -0.01 0.00 0.00 64.34 65.32 1aab n VAL 35 Cb 0.00 -4.71 0.34 0.00 -0.91 0.00 0.00 33.84 28.55 1aab n VAL 35 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1aab n ASN 36 N 0.79 0.00 -2.21 4.52 5.15 -1.26 -4.79 115.26 117.47 1aab n ASN 36 Ca -0.00 -0.81 -0.14 0.00 -0.60 0.00 0.00 54.58 53.03 1aab n ASN 36 Cb 0.36 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.59 1aab n ASN 36 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1aab n PHE 37 N -0.80 -1.11 -1.31 1.20 3.72 -1.26 -4.62 117.46 113.27 1aab n PHE 37 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1aab n PHE 37 Cb 0.04 -2.94 0.00 0.00 -0.94 0.00 0.00 39.48 35.64 1aab n PHE 37 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1aab n SER 38 N -1.57 0.00 0.00 4.37 3.41 -1.26 -4.77 113.62 113.79 1aab n SER 38 Ca -0.16 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1aab n SER 38 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aab n GLU 39 N 0.00 4.82 -0.07 4.33 -0.58 -1.26 -4.84 120.64 123.05 1aab n GLU 39 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1aab n GLU 39 Cb 0.34 -0.47 -0.06 0.00 -0.57 0.00 0.00 31.44 30.68 1aab n GLU 39 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1aab h PHE 40 N 0.00 0.00 -0.21 -0.32 3.57 -1.92 -3.30 116.94 114.76 1aab h PHE 40 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1aab h PHE 40 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1aab h PHE 40 CO 0.00 0.54 0.42 0.77 -2.23 0.00 0.00 178.31 177.81 1aab h SER 41 N -1.00 0.00 -0.18 0.41 0.02 -1.90 0.85 113.55 111.75 1aab h SER 41 Ca -0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1aab h SER 41 Cb 0.57 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1aab h SER 41 CO -0.02 0.00 0.04 0.50 -1.14 0.00 0.00 176.83 176.21 1aab h LYS 42 N 0.00 0.39 0.12 3.45 3.64 -1.88 0.21 116.57 122.49 1aab h LYS 42 Ca 0.10 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1aab h LYS 42 Cb 0.94 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1aab h LYS 42 CO -0.00 0.39 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.29 1aab h LYS 43 N 0.39 -0.15 -0.91 1.90 1.63 0.60 -2.70 116.57 117.32 1aab h LYS 43 Ca 0.09 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1aab h LYS 43 Cb 0.20 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 1aab h LYS 43 CO 0.00 0.34 0.59 0.00 -3.45 0.00 0.00 179.45 176.93 1aab h SER 45 N 1.24 0.58 0.51 0.00 0.87 -0.65 0.51 113.55 116.61 1aab h SER 45 Ca 0.33 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1aab h SER 45 Cb -0.13 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1aab h SER 45 CO -0.07 0.38 0.00 -0.08 -0.53 0.00 0.00 176.83 176.53 1aab h GLU 46 N 0.71 0.00 -0.00 2.24 4.81 -0.94 -1.04 114.58 120.36 1aab h GLU 46 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1aab h GLU 46 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1aab h GLU 46 CO -0.17 0.00 -0.81 -2.13 -0.73 0.00 0.00 179.01 175.17 1aab n ARG 47 N -2.40 0.79 -0.07 1.92 0.63 0.14 -4.42 116.66 113.25 1aab n ARG 47 Ca 0.01 -0.20 -0.08 0.00 -0.92 0.00 0.00 57.85 56.66 1aab n ARG 47 Cb 0.17 -1.41 -0.03 0.00 0.45 0.00 0.00 32.46 31.64 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 -1.16 0.00 0.28 -0.14 -0.00 0.12 -4.33 117.44 112.21 1aab n TRP 48 Ca 0.05 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.63 1aab n TRP 48 Cb 0.33 -0.44 0.44 0.00 -0.00 0.00 0.00 31.31 31.64 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 -0.85 0.00 0.16 5.87 1.79 -1.48 0.15 116.57 122.20 1aab h LYS 49 Ca -0.01 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.15 1aab h LYS 49 Cb 0.87 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.53 1aab h LYS 49 CO -0.01 0.00 -1.44 0.00 -1.08 0.00 0.00 179.45 176.92 1aab h THR 50 N 0.00 1.29 -2.57 -0.16 1.03 -1.77 -3.47 112.91 107.26 1aab h THR 50 Ca 0.00 -2.84 -0.30 0.00 -0.01 0.00 0.00 66.41 63.26 1aab h THR 50 Cb 1.07 2.89 0.18 0.00 -1.07 0.00 0.00 68.15 71.22 1aab h THR 50 CO 0.00 0.85 -0.14 0.23 -0.01 0.00 0.00 175.52 176.44 1aab n MET 51 N -3.56 -4.32 -4.12 0.00 2.81 0.52 -5.03 117.12 103.42 1aab n MET 51 Ca -0.14 -1.19 -0.25 0.00 -1.81 0.00 0.00 57.70 54.31 1aab n MET 51 Cb 1.06 -1.57 -0.05 0.00 -0.71 0.00 0.00 33.22 31.94 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 -2.87 5.38 0.58 7.83 0.01 -1.26 -4.96 113.70 118.40 1aab s SER 52 Ca 0.55 -0.23 0.29 0.00 1.31 0.00 0.00 55.95 57.87 1aab s SER 52 Cb -0.10 -1.35 1.44 0.00 0.21 0.00 0.00 66.02 66.23 1aab s SER 52 CO 0.46 0.04 1.85 0.00 0.41 0.00 0.00 173.24 176.00 1aab h ALA 53 N 2.15 2.37 0.59 1.44 0.00 -1.95 -0.19 119.26 123.66 1aab h ALA 53 Ca -0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1aab h ALA 53 Cb 1.21 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1aab h ALA 53 CO 0.62 -0.87 -0.28 0.87 0.00 0.00 0.00 179.25 179.58 1aab h LYS 54 N 0.00 -0.76 -0.20 0.00 1.57 -1.97 0.89 116.57 116.10 1aab h LYS 54 Ca 0.28 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1aab h LYS 54 Cb 1.41 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 1aab h LYS 54 CO -0.00 -0.47 0.05 0.93 -0.57 0.00 0.00 179.45 179.38 1aab h GLU 55 N -0.87 0.32 0.00 3.15 5.08 -1.53 0.12 114.58 120.85 1aab h GLU 55 Ca -0.08 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1aab h GLU 55 Cb 0.63 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1aab h GLU 55 CO 0.13 0.46 0.00 1.63 -1.00 0.00 0.00 179.01 180.23 1aab n LYS 56 N -4.76 0.38 -0.03 2.33 5.02 -0.24 -2.45 118.16 118.41 1aab n LYS 56 Ca -0.04 0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1aab n LYS 56 Cb 0.17 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 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 2.26 0.15 2.00 0.72 0.00 0.36 -1.98 103.07 106.58 1aab h GLY 57 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1aab h GLY 57 CO 0.00 0.24 -0.07 0.07 0.00 0.00 0.00 176.54 176.77 1aab h LYS 58 N -0.59 0.00 0.00 4.80 2.10 -1.39 -0.90 116.57 120.60 1aab h LYS 58 Ca -0.03 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.51 1aab h LYS 58 Cb 0.99 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.30 1aab h LYS 58 CO 0.04 0.07 -0.54 0.74 -2.00 0.00 0.00 179.45 177.77 1aab h PHE 59 N 0.00 0.00 0.00 0.07 0.04 -1.56 -2.53 116.94 112.96 1aab h PHE 59 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1aab h PHE 59 Cb 0.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1aab h PHE 59 CO 0.00 0.54 -0.17 0.93 -0.60 0.00 0.00 178.31 179.00 1aab h GLU 60 N 0.00 0.00 0.07 1.51 4.39 -0.38 -2.32 114.58 117.85 1aab h GLU 60 Ca -0.01 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.44 1aab h GLU 60 Cb 1.34 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1aab h GLU 60 CO 0.07 0.17 -1.11 0.22 -1.16 0.00 0.00 179.01 177.21 1aab h ASP 61 N 0.00 0.50 -0.17 1.42 3.58 -0.98 -2.01 116.42 118.76 1aab h ASP 61 Ca -0.00 -0.47 -0.09 0.00 0.42 0.00 0.00 57.03 56.89 1aab h ASP 61 Cb 0.93 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.82 1aab h ASP 61 CO 0.02 1.31 -0.23 0.24 -2.88 0.00 0.00 179.24 177.70 1aab h MET 62 N 0.16 0.46 0.00 0.28 2.86 -1.29 0.15 114.93 117.55 1aab h MET 62 Ca -0.11 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.23 1aab h MET 62 Cb 1.79 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.46 1aab h MET 62 CO 0.19 0.85 -0.16 0.00 1.06 0.00 0.00 176.91 178.85 1aab h ALA 63 N 0.60 1.46 0.02 6.32 0.00 -1.48 -0.33 119.26 125.85 1aab h ALA 63 Ca 0.02 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 1aab h ALA 63 Cb 0.79 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1aab h ALA 63 CO 0.05 0.19 -0.96 -0.22 0.00 0.00 0.00 179.25 178.31 1aab h LYS 64 N 0.00 0.06 -0.03 0.00 3.64 -0.99 -2.65 116.57 116.60 1aab h LYS 64 Ca -0.00 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1aab h LYS 64 Cb 0.34 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1aab h LYS 64 CO 0.02 0.97 -0.04 0.00 -2.27 0.00 0.00 179.45 178.13 1aab h ALA 65 N 0.99 0.04 -0.72 5.00 0.00 0.44 -2.90 119.26 122.11 1aab h ALA 65 Ca -0.03 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.69 1aab h ALA 65 Cb 1.67 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 1aab h ALA 65 CO 0.13 -0.15 0.48 0.22 0.00 0.00 0.00 179.25 179.93 1aab h ASP 66 N -0.42 0.53 -0.95 0.00 3.58 -1.17 0.14 116.42 118.13 1aab h ASP 66 Ca 0.00 0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.57 1aab h ASP 66 Cb 0.59 -0.10 -0.08 0.00 1.72 0.00 0.00 39.33 41.46 1aab h ASP 66 CO 0.01 0.32 0.59 0.50 -2.88 0.00 0.00 179.24 177.78 1aab h LYS 67 N 0.59 0.94 -0.38 0.28 3.64 -1.27 0.21 116.57 120.58 1aab h LYS 67 Ca 0.34 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.55 1aab h LYS 67 Cb 0.52 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1aab h LYS 67 CO -0.12 0.62 -0.21 0.00 -2.27 0.00 0.00 179.45 177.47 1aab h ALA 68 N 1.50 0.91 0.00 5.00 0.00 -0.64 -1.24 119.26 124.80 1aab h ALA 68 Ca 0.46 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1aab h ALA 68 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1aab h ALA 68 CO -0.24 0.62 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 1aab h ARG 69 N 0.65 0.00 0.19 0.00 2.47 -0.39 0.52 114.38 117.81 1aab h ARG 69 Ca 0.09 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.50 1aab h ARG 69 Cb 0.71 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.05 1aab h ARG 69 CO 0.05 0.06 -1.48 -0.92 0.56 0.00 0.00 179.97 178.24 1aab h TYR 70 N 0.00 0.71 0.00 3.04 5.03 -0.03 -3.25 116.97 122.47 1aab h TYR 70 Ca -0.00 -0.52 -0.02 0.00 2.58 0.00 0.00 58.73 60.77 1aab h TYR 70 Cb 0.57 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.81 1aab h TYR 70 CO 0.00 1.57 -0.12 0.93 -1.32 0.00 0.00 178.16 179.23 1aab h GLU 71 N -0.04 0.00 -0.98 1.82 4.39 -1.14 -2.96 114.58 115.68 1aab h GLU 71 Ca -0.29 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.60 1aab h GLU 71 Cb 1.98 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 30.54 1aab h GLU 71 CO 0.18 0.80 0.61 -0.09 -1.16 0.00 0.00 179.01 179.35 1aab h ARG 72 N -1.00 0.68 -0.01 2.33 9.65 -1.10 0.46 114.38 125.38 1aab h ARG 72 Ca -0.03 -0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 58.61 1aab h ARG 72 Cb 0.84 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 1aab h ARG 72 CO -0.02 0.45 -0.85 0.93 2.80 0.00 0.00 179.97 183.28 1aab h GLU 73 N 0.70 0.27 0.00 0.20 5.08 -1.69 -2.79 114.58 116.34 1aab h GLU 73 Ca 0.54 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1aab h GLU 73 Cb 0.93 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1aab h GLU 73 CO -0.31 0.97 0.00 -1.33 -1.00 0.00 0.00 179.01 177.34 1aab n MET 74 N -3.72 0.03 0.25 2.33 2.81 0.13 0.70 117.12 119.65 1aab n MET 74 Ca -0.04 0.31 0.18 0.00 -1.81 0.00 0.00 57.70 56.34 1aab n MET 74 Cb 0.78 -1.50 0.86 0.00 -0.71 0.00 0.00 33.22 32.65 1aab n MET 74 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1aab h LYS 75 N 0.00 0.00 0.00 0.03 3.64 -1.29 -3.24 116.57 115.71 1aab h LYS 75 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1aab h LYS 75 Cb 0.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1aab h LYS 75 CO 0.00 0.00 -0.04 -2.37 -2.27 0.00 0.00 179.45 174.77 1aab n THR 76 N -3.35 0.00 -2.85 1.00 5.66 -0.69 -5.08 114.28 108.96 1aab n THR 76 Ca 0.01 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1aab n THR 76 Cb 0.38 0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1aab n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aab n TYR 77 N 0.00 -2.94 -4.07 1.09 9.36 0.22 -5.02 117.16 115.80 1aab n TYR 77 Ca -0.04 1.30 -0.33 0.00 3.32 0.00 0.00 57.90 62.16 1aab n TYR 77 Cb 0.29 -3.21 -0.15 0.00 -0.63 0.00 0.00 39.34 35.64 1aab n TYR 77 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1aab s ILE 78 N -1.48 2.26 1.21 2.97 1.01 -0.95 -4.98 121.20 121.25 1aab s ILE 78 Ca 0.00 -1.20 -0.14 0.00 0.00 0.00 0.00 60.65 59.31 1aab s ILE 78 Cb -0.00 -2.13 0.30 0.00 0.01 0.00 0.00 42.46 40.64 1aab s ILE 78 CO 0.58 0.27 0.94 -2.65 0.00 0.00 0.00 174.94 174.07 1aab n PRO 79 N 4.56 -2.71 0.00 2.79 -0.02 -1.26 -4.80 135.00 133.56 1aab n PRO 79 Ca -0.18 -0.77 0.00 0.00 -2.02 0.00 0.00 63.50 60.54 1aab n PRO 79 Cb 0.47 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 -4.90 0.21 -2.30 0.52 -0.04 -1.26 -4.77 135.00 122.45 1aab n PRO 80 Ca 0.02 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.10 1aab n PRO 80 Cb 0.55 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.99 1aab n PRO 80 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1aab n LYS 81 N -0.56 2.60 0.07 0.54 4.81 -1.26 -4.66 118.16 119.70 1aab n LYS 81 Ca 0.00 -2.92 0.13 0.00 -0.87 0.00 0.00 58.31 54.65 1aab n LYS 81 Cb 0.00 -3.54 0.48 0.00 0.02 0.00 0.00 35.03 31.99 1aab n LYS 81 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aab n GLY 82 N 5.41 -1.61 0.00 3.14 0.00 -1.26 -5.34 105.19 105.52 1aab n GLY 82 Ca 0.48 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.57 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50