#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aab n LYS 2 N 0.00 1.93 0.00 1.61 4.76 -1.26 -2.89 118.16 122.31 1aab n LYS 2 Ca 0.00 -1.03 0.00 0.00 -2.87 0.00 0.00 58.31 54.41 1aab n LYS 2 Cb 0.00 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 1aab n LYS 2 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aab n GLY 3 N 2.20 0.72 2.55 0.72 0.00 -1.26 -5.03 105.19 105.09 1aab n GLY 3 Ca 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.85 0.00 1.61 9.92 -1.14 -4.97 116.55 120.12 1aab n ASP 4 Ca 0.00 -2.76 0.00 0.00 -0.53 0.00 0.00 54.79 51.50 1aab n ASP 4 Cb 0.23 0.64 0.00 0.00 -0.64 0.00 0.00 41.12 41.34 1aab n ASP 4 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1aab n PRO 5 N 2.50 0.00 0.00 -0.24 -0.02 -1.26 -1.16 135.00 134.82 1aab n PRO 5 Ca 0.21 0.32 0.06 0.00 -2.02 0.00 0.00 63.50 62.07 1aab n PRO 5 Cb 0.54 -1.55 0.28 0.00 -0.02 0.00 0.00 33.50 32.75 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 -1.30 0.09 -1.96 -0.52 4.01 -1.26 -4.74 118.16 112.48 1aab n LYS 6 Ca 0.00 0.23 -0.41 0.00 -0.51 0.00 0.00 58.31 57.62 1aab n LYS 6 Cb 0.05 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.05 1aab n LYS 6 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1aab s LYS 7 N -2.77 4.23 0.77 1.97 2.20 -0.31 -4.93 119.74 120.91 1aab s LYS 7 Ca 0.09 2.39 -0.16 0.00 -0.36 0.00 0.00 55.97 57.92 1aab s LYS 7 Cb 0.08 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 1aab s LYS 7 CO 0.20 -0.39 0.28 -2.30 -0.36 0.00 0.00 175.35 172.78 1aab n PRO 8 N 1.08 0.13 0.00 4.03 -0.02 -1.26 -4.91 135.00 134.05 1aab n PRO 8 Ca 0.02 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1aab n PRO 8 Cb 0.40 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 -0.29 0.00 0.00 -0.52 0.63 -1.26 -4.96 116.66 110.26 1aab n ARG 9 Ca 0.08 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 1aab n ARG 9 Cb 0.51 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 32.16 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 -0.88 2.16 3.70 5.14 0.00 -1.26 -5.09 105.19 108.95 1aab n GLY 10 Ca 0.00 0.14 -0.54 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 1.56 -2.16 1.61 -0.00 -1.26 -4.94 118.16 112.97 1aab n LYS 11 Ca 0.00 0.57 -0.28 0.00 -0.00 0.00 0.00 58.31 58.60 1aab n LYS 11 Cb 0.00 -2.32 0.03 0.00 -0.00 0.00 0.00 35.03 32.74 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 3.71 2.99 0.87 -1.58 -1.94 -1.26 -5.00 119.30 117.08 1aab s MET 12 Ca 0.96 0.26 -0.11 0.00 -1.71 0.00 0.00 55.69 55.08 1aab s MET 12 Cb -0.92 -2.16 0.16 0.00 2.01 0.00 0.00 34.83 33.92 1aab s MET 12 CO 0.60 -0.79 1.21 -1.12 -0.01 0.00 0.00 175.02 174.90 1aab s SER 13 N -4.30 3.69 0.36 3.03 0.01 -1.26 -4.76 113.70 110.46 1aab s SER 13 Ca 0.55 0.19 0.12 0.00 1.31 0.00 0.00 55.95 58.13 1aab s SER 13 Cb -0.11 -0.41 0.67 0.00 0.21 0.00 0.00 66.02 66.38 1aab s SER 13 CO 0.48 -2.35 1.79 -1.28 0.41 0.00 0.00 173.24 172.30 1aab h SER 14 N -1.23 0.00 0.07 2.44 0.87 -1.93 -1.92 113.55 111.84 1aab h SER 14 Ca -0.43 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1aab h SER 14 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1aab h SER 14 CO 0.43 0.41 -0.03 0.22 -0.53 0.00 0.00 176.83 177.33 1aab h TYR 15 N 0.00 -0.08 -0.46 2.24 3.20 -1.92 -2.94 116.97 117.00 1aab h TYR 15 Ca -0.00 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.00 1aab h TYR 15 Cb 0.73 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1aab h TYR 15 CO 0.00 0.50 0.39 0.00 -1.64 0.00 0.00 178.16 177.41 1aab h ALA 16 N -0.05 2.30 -0.04 1.82 0.00 -1.91 0.52 119.26 121.90 1aab h ALA 16 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1aab h ALA 16 Cb 0.62 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1aab h ALA 16 CO 0.01 -0.63 -0.57 0.74 0.00 0.00 0.00 179.25 178.81 1aab h PHE 17 N 0.00 0.17 0.00 0.00 0.04 -1.27 -0.97 116.94 114.91 1aab h PHE 17 Ca 0.22 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1aab h PHE 17 Cb 1.00 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.12 1aab h PHE 17 CO 0.00 0.67 0.00 0.35 -0.60 0.00 0.00 178.31 178.73 1aab h PHE 18 N 0.10 0.00 0.07 -0.55 3.04 0.14 -2.89 116.94 116.85 1aab h PHE 18 Ca -0.00 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 1aab h PHE 18 Cb 1.03 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.55 1aab h PHE 18 CO 0.01 0.00 -0.53 0.28 -2.02 0.00 0.00 178.31 176.05 1aab h VAL 19 N 0.00 1.57 -0.03 1.41 2.07 -0.38 -0.93 116.25 119.96 1aab h VAL 19 Ca 0.00 -2.43 0.01 0.00 0.82 0.00 0.00 66.70 65.10 1aab h VAL 19 Cb 0.91 3.20 -0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1aab h VAL 19 CO 0.00 0.65 0.03 0.06 0.02 0.00 0.00 177.57 178.33 1aab h GLN 20 N -0.67 0.00 0.03 1.57 -0.00 -1.25 1.26 115.11 116.05 1aab h GLN 20 Ca -0.10 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.33 1aab h GLN 20 Cb 1.36 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.82 1aab h GLN 20 CO 0.06 0.00 -1.02 1.15 -0.00 0.00 0.00 178.83 179.02 1aab h THR 21 N 0.00 1.63 0.00 1.86 2.02 -1.46 -2.47 112.91 114.49 1aab h THR 21 Ca 0.01 -3.19 0.00 0.00 0.77 0.00 0.00 66.41 64.01 1aab h THR 21 Cb 0.08 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1aab h THR 21 CO -0.00 0.92 -0.31 -1.28 0.37 0.00 0.00 175.52 175.21 1aab h SER 22 N 0.03 0.00 0.13 4.18 0.87 0.13 -3.25 113.55 115.64 1aab h SER 22 Ca -0.04 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1aab h SER 22 Cb 1.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1aab h SER 22 CO 0.14 0.02 -0.06 -0.09 -0.53 0.00 0.00 176.83 176.31 1aab h ARG 23 N 0.00 -0.17 -0.32 2.24 2.43 0.15 -0.73 114.38 117.98 1aab h ARG 23 Ca 0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1aab h ARG 23 Cb 0.89 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1aab h ARG 23 CO 0.00 0.27 0.27 1.49 -1.51 0.00 0.00 179.97 180.49 1aab h GLU 24 N -0.91 0.00 0.00 0.20 4.81 -1.56 0.25 114.58 117.37 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 0.52 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1aab h GLU 24 CO 0.03 0.00 -0.86 0.93 -0.73 0.00 0.00 179.01 178.38 1aab h GLU 25 N 0.00 0.00 0.00 1.92 5.08 -1.58 -3.33 114.58 116.67 1aab h GLU 25 Ca 0.15 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.29 1aab h GLU 25 Cb 0.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1aab h GLU 25 CO -0.00 0.34 -1.16 1.25 -1.00 0.00 0.00 179.01 178.43 1aab h HIS 26 N 0.00 0.00 -0.14 4.33 -0.00 0.97 -3.28 115.15 117.03 1aab h HIS 26 Ca -0.06 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.35 1aab h HIS 26 Cb 1.39 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.80 1aab h HIS 26 CO 0.00 0.93 0.16 -0.22 -0.00 0.00 0.00 177.93 178.80 1aab h LYS 27 N 0.00 0.00 0.00 5.26 3.64 -1.11 -0.03 116.57 124.33 1aab h LYS 27 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1aab h LYS 27 Cb 1.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 1aab h LYS 27 CO 0.11 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.92 1aab n LYS 28 N -3.80 0.86 -2.48 1.90 5.02 -1.24 -4.02 118.16 114.40 1aab n LYS 28 Ca 0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1aab n LYS 28 Cb 0.28 -1.43 0.10 0.00 -0.02 0.00 0.00 35.03 33.96 1aab n LYS 28 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1aab n LYS 29 N -0.93 1.10 -2.86 1.97 2.85 -0.06 -5.03 118.16 115.19 1aab n LYS 29 Ca 0.18 -1.05 -0.12 0.00 -1.05 0.00 0.00 58.31 56.27 1aab n LYS 29 Cb 0.08 0.30 0.02 0.00 -0.65 0.00 0.00 35.03 34.78 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 -1.19 -2.64 0.08 5.58 8.25 -1.00 -4.98 115.22 119.33 1aab n HIS 30 Ca -0.14 -2.19 -0.08 0.00 -0.26 0.00 0.00 57.72 55.05 1aab n HIS 30 Cb 0.81 1.10 -0.06 0.00 1.12 0.00 0.00 29.99 32.96 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 4.04 0.11 -0.00 -0.41 0.13 -1.88 -3.26 132.00 130.72 1aab h PRO 31 Ca -0.09 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1aab h PRO 31 Cb 1.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1aab h PRO 31 CO 0.35 0.98 -0.23 -0.40 -0.23 0.00 0.00 178.00 178.48 1aab n ASP 32 N -3.53 0.45 -0.02 1.44 5.68 -1.26 -4.05 116.55 115.26 1aab n ASP 32 Ca -0.03 -0.28 -0.16 0.00 -0.50 0.00 0.00 54.79 53.82 1aab n ASP 32 Cb 0.88 -0.03 -0.09 0.00 -1.14 0.00 0.00 41.12 40.74 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 3.29 0.17 0.00 2.12 0.00 -1.97 -3.46 119.26 119.42 1aab h ALA 33 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 33 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1aab h ALA 33 CO 0.00 0.36 0.00 0.45 0.00 0.00 0.00 179.25 180.06 1aab n SER 34 N -4.24 0.00 -3.15 0.00 2.88 -1.26 -4.28 113.62 103.56 1aab n SER 34 Ca -0.08 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.29 1aab n SER 34 Cb 0.60 -0.53 0.02 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.71 -6.63 0.37 2.46 0.31 -1.26 -4.86 118.33 107.00 1aab n VAL 35 Ca 0.00 0.65 0.06 0.00 -0.01 0.00 0.00 64.34 65.04 1aab n VAL 35 Cb 0.00 -4.93 0.21 0.00 -0.91 0.00 0.00 33.84 28.21 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 0.23 2.83 -2.73 4.52 3.02 -1.26 -4.88 115.26 116.99 1aab n ASN 36 Ca -0.00 -2.18 -0.15 0.00 -0.03 0.00 0.00 54.58 52.22 1aab n ASN 36 Cb 0.48 -0.40 -0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 0.64 -1.58 -1.32 3.10 3.01 -1.26 -4.62 117.46 115.43 1aab n PHE 37 Ca 0.15 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.76 1aab n PHE 37 Cb 0.52 -2.74 0.00 0.00 -0.01 0.00 0.00 39.48 37.25 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 -1.95 0.00 0.00 4.37 7.64 -1.26 -4.81 113.62 117.61 1aab n SER 38 Ca -0.10 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.78 1aab n SER 38 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.00 0.06 1.43 1.02 -1.26 -4.82 120.64 117.07 1aab n GLU 39 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1aab n GLU 39 Cb 0.40 -0.30 -0.02 0.00 -0.02 0.00 0.00 31.44 31.51 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 -0.22 -0.54 -0.32 3.57 -1.92 -3.13 116.94 114.37 1aab h PHE 40 Ca 0.00 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.65 1aab h PHE 40 Cb 0.00 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1aab h PHE 40 CO 0.00 -0.14 0.42 0.77 -2.23 0.00 0.00 178.31 177.14 1aab h SER 41 N -0.91 0.00 -0.38 0.41 0.02 -1.92 0.88 113.55 111.65 1aab h SER 41 Ca -0.02 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1aab h SER 41 Cb 0.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1aab h SER 41 CO 0.04 0.00 0.25 0.50 -1.14 0.00 0.00 176.83 176.48 1aab h LYS 42 N 0.00 0.47 0.04 3.45 1.63 -1.87 0.13 116.57 120.41 1aab h LYS 42 Ca 0.26 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1aab h LYS 42 Cb 1.10 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1aab h LYS 42 CO -0.00 0.31 -0.02 -0.22 -3.45 0.00 0.00 179.45 176.07 1aab h LYS 43 N 0.49 -0.05 -0.49 1.90 1.63 0.80 -3.16 116.57 117.69 1aab h LYS 43 Ca 0.14 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.01 1aab h LYS 43 Cb -0.01 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1aab h LYS 43 CO -0.03 0.62 0.33 0.00 -3.45 0.00 0.00 179.45 176.92 1aab h SER 45 N 0.38 -0.15 0.29 0.00 0.02 -0.80 0.59 113.55 113.88 1aab h SER 45 Ca 0.22 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1aab h SER 45 Cb 0.37 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1aab h SER 45 CO -0.05 -0.06 0.00 1.21 -1.14 0.00 0.00 176.83 176.78 1aab n GLU 46 N -5.17 0.02 -0.00 3.45 2.13 -0.43 -1.04 120.64 119.60 1aab n GLU 46 Ca -0.04 0.38 0.09 0.00 0.66 0.00 0.00 57.16 58.25 1aab n GLU 46 Cb 0.10 -1.55 -0.12 0.00 0.27 0.00 0.00 31.44 30.15 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 -1.59 0.67 -0.08 5.31 0.63 0.11 -4.42 116.66 117.29 1aab n ARG 47 Ca 0.02 -0.03 -0.10 0.00 -0.92 0.00 0.00 57.85 56.82 1aab n ARG 47 Cb 0.10 -1.41 -0.03 0.00 0.45 0.00 0.00 32.46 31.56 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 -1.57 0.00 0.16 -0.14 -0.00 0.17 -4.31 117.44 111.75 1aab n TRP 48 Ca 0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.58 1aab n TRP 48 Cb 0.33 -0.48 0.28 0.00 -0.00 0.00 0.00 31.31 31.45 1aab n TRP 48 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1aab n LYS 49 N -4.29 0.07 0.05 5.87 5.02 -0.24 -0.37 118.16 124.27 1aab n LYS 49 Ca -0.16 0.54 -0.20 0.00 -2.02 0.00 0.00 58.31 56.47 1aab n LYS 49 Cb 0.49 -2.13 -0.14 0.00 -0.02 0.00 0.00 35.03 33.23 1aab n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aab h THR 50 N 0.00 0.94 -2.67 -0.18 1.03 -1.77 -3.47 112.91 106.78 1aab h THR 50 Ca 0.00 -2.58 -0.46 0.00 -0.01 0.00 0.00 66.41 63.37 1aab h THR 50 Cb 0.78 2.70 0.23 0.00 -1.07 0.00 0.00 68.15 70.79 1aab h THR 50 CO 0.00 0.83 -0.75 0.23 -0.01 0.00 0.00 175.52 175.83 1aab n MET 51 N -3.50 -1.70 -3.01 0.00 2.81 0.50 -4.98 117.12 107.23 1aab n MET 51 Ca -0.23 -0.47 -0.28 0.00 -1.81 0.00 0.00 57.70 54.91 1aab n MET 51 Cb 1.06 -1.84 -0.02 0.00 -0.71 0.00 0.00 33.22 31.71 1aab n MET 51 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1aab s SER 52 N -2.01 6.39 0.29 7.83 1.04 -1.26 -4.91 113.70 121.06 1aab s SER 52 Ca 0.59 0.84 0.17 0.00 0.48 0.00 0.00 55.95 58.04 1aab s SER 52 Cb -0.16 -2.20 0.91 0.00 0.10 0.00 0.00 66.02 64.67 1aab s SER 52 CO 0.66 -0.38 1.47 0.00 0.98 0.00 0.00 173.24 175.97 1aab n ALA 53 N -1.56 0.89 0.18 5.32 0.00 -1.26 -1.54 120.51 122.54 1aab n ALA 53 Ca -0.00 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1aab n ALA 53 Cb 0.55 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 1aab n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1aab h LYS 54 N 0.00 -0.48 -0.56 0.00 1.57 -1.98 0.11 116.57 115.23 1aab h LYS 54 Ca 0.00 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1aab h LYS 54 Cb 0.21 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1aab h LYS 54 CO 0.00 -0.16 0.09 0.93 -0.57 0.00 0.00 179.45 179.74 1aab h GLU 55 N -0.92 0.93 0.00 3.15 4.39 -1.66 0.10 114.58 120.57 1aab h GLU 55 Ca -0.05 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1aab h GLU 55 Cb 0.54 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1aab h GLU 55 CO 0.08 0.89 0.00 1.63 -1.16 0.00 0.00 179.01 180.46 1aab n LYS 56 N -4.34 0.39 0.10 2.33 5.02 -0.72 -1.79 118.16 119.15 1aab n LYS 56 Ca 0.02 0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.18 1aab n LYS 56 Cb 0.27 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.63 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 2.61 0.42 2.00 0.72 0.00 0.19 -2.15 103.07 106.86 1aab h GLY 57 Ca 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 47.33 46.16 1aab h GLY 57 CO 0.00 0.94 -0.45 1.70 0.00 0.00 0.00 176.54 178.73 1aab h LYS 58 N 0.10 0.00 0.00 4.80 3.11 -1.20 -2.40 116.57 120.98 1aab h LYS 58 Ca -0.23 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.50 1aab h LYS 58 Cb 2.06 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.28 1aab h LYS 58 CO 0.21 0.45 -0.63 0.74 -2.81 0.00 0.00 179.45 177.41 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.58 -2.68 116.94 114.63 1aab h PHE 59 Ca -0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 1aab h PHE 59 Cb 1.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.23 1aab h PHE 59 CO 0.00 0.54 -0.52 0.93 -0.60 0.00 0.00 178.31 178.66 1aab h GLU 60 N 0.00 0.00 0.00 1.51 4.39 -1.06 -0.94 114.58 118.47 1aab h GLU 60 Ca -0.02 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 1aab h GLU 60 Cb 1.43 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.06 1aab h GLU 60 CO 0.07 0.52 -0.69 0.22 -1.16 0.00 0.00 179.01 177.96 1aab h ASP 61 N 0.00 0.00 0.03 1.42 3.58 -1.20 -2.24 116.42 118.01 1aab h ASP 61 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1aab h ASP 61 Cb 1.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1aab h ASP 61 CO 0.07 0.69 -0.02 0.24 -2.88 0.00 0.00 179.24 177.34 1aab h MET 62 N 0.00 -0.04 -0.10 0.28 2.86 -1.14 -2.13 114.93 114.66 1aab h MET 62 Ca -0.01 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1aab h MET 62 Cb 1.42 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.08 1aab h MET 62 CO 0.09 0.61 0.10 0.00 1.06 0.00 0.00 176.91 178.77 1aab h ALA 63 N -0.20 1.73 -0.04 6.32 0.00 -1.27 0.38 119.26 126.18 1aab h ALA 63 Ca -0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1aab h ALA 63 Cb 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1aab h ALA 63 CO 0.01 -0.15 -0.72 -0.22 0.00 0.00 0.00 179.25 178.17 1aab h LYS 64 N 0.00 0.22 -0.08 0.00 3.64 -1.36 -1.37 116.57 117.63 1aab h LYS 64 Ca 0.05 -0.18 -0.16 0.00 -1.27 0.00 0.00 60.65 59.08 1aab h LYS 64 Cb 0.25 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1aab h LYS 64 CO -0.00 0.85 -0.64 0.00 -2.27 0.00 0.00 179.45 177.39 1aab h ALA 65 N 1.10 0.77 -0.17 5.00 0.00 0.37 -2.83 119.26 123.50 1aab h ALA 65 Ca -0.02 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.17 1aab h ALA 65 Cb 1.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1aab h ALA 65 CO 0.11 0.74 -0.56 0.22 0.00 0.00 0.00 179.25 179.76 1aab h ASP 66 N 0.21 0.58 -0.94 0.00 1.82 -0.93 -2.82 116.42 114.35 1aab h ASP 66 Ca -0.01 -0.31 0.12 0.00 -0.39 0.00 0.00 57.03 56.43 1aab h ASP 66 Cb 1.16 -0.17 -0.07 0.00 0.68 0.00 0.00 39.33 40.93 1aab h ASP 66 CO 0.10 1.02 0.60 0.50 -1.61 0.00 0.00 179.24 179.85 1aab h LYS 67 N 0.40 0.86 -0.26 0.28 3.64 -1.00 -0.87 116.57 119.61 1aab h LYS 67 Ca 0.01 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 1aab h LYS 67 Cb 1.10 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1aab h LYS 67 CO 0.10 0.57 -0.59 0.00 -2.27 0.00 0.00 179.45 177.26 1aab h ALA 68 N 1.56 0.44 -0.67 5.00 0.00 -1.40 -3.06 119.26 121.13 1aab h ALA 68 Ca 0.45 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1aab h ALA 68 Cb 0.52 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1aab h ALA 68 CO -0.22 0.68 0.44 0.00 0.00 0.00 0.00 179.25 180.16 1aab h ARG 69 N 0.65 0.75 -0.49 0.00 3.08 -0.96 0.16 114.38 117.58 1aab h ARG 69 Ca 0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1aab h ARG 69 Cb 1.20 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 1aab h ARG 69 CO 0.13 0.50 0.30 -0.92 -1.07 0.00 0.00 179.97 178.91 1aab h TYR 70 N 0.78 0.57 0.00 3.04 3.20 -1.22 -1.39 116.97 121.94 1aab h TYR 70 Ca 0.27 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1aab h TYR 70 Cb 0.11 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1aab h TYR 70 CO -0.00 0.33 -0.02 0.93 -1.64 0.00 0.00 178.16 177.77 1aab h GLU 71 N 0.61 0.00 -0.05 1.82 5.08 -1.35 -3.23 114.58 117.46 1aab h GLU 71 Ca 0.19 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1aab h GLU 71 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1aab h GLU 71 CO -0.07 0.00 -0.21 -0.09 -1.00 0.00 0.00 179.01 177.64 1aab h ARG 72 N 0.00 0.23 0.00 2.33 2.43 0.34 -3.13 114.38 116.57 1aab h ARG 72 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1aab h ARG 72 Cb 0.76 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1aab h ARG 72 CO 0.00 0.82 0.00 0.39 -1.51 0.00 0.00 179.97 179.67 1aab n GLU 73 N -4.55 0.15 0.00 0.20 1.02 -0.75 -2.68 120.64 114.03 1aab n GLU 73 Ca -0.08 0.30 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 1aab n GLU 73 Cb 0.43 -1.74 0.60 0.00 -0.02 0.00 0.00 31.44 30.71 1aab n GLU 73 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1aab n MET 74 N -2.02 0.59 0.00 3.49 2.81 -1.18 -3.13 117.12 117.68 1aab n MET 74 Ca 0.04 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1aab n MET 74 Cb 0.27 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1aab n MET 74 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1aab n LYS 75 N -1.04 0.79 0.00 0.03 4.81 -1.09 -3.63 118.16 118.02 1aab n LYS 75 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1aab n LYS 75 Cb 0.08 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 34.04 1aab n LYS 75 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1aab n THR 76 N -0.35 0.00 0.00 3.15 5.66 -1.18 -5.06 114.28 116.49 1aab n THR 76 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1aab n THR 76 Cb 0.05 0.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 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 0.00 -3.17 1.09 9.36 -1.23 -4.96 117.16 118.26 1aab n TYR 77 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1aab n TYR 77 Cb 0.00 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.72 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 0.00 -4.11 -1.03 2.97 5.41 -1.26 -4.93 119.36 116.42 1aab n ILE 78 Ca 0.00 0.64 -0.30 0.00 1.00 0.00 0.00 62.75 64.09 1aab n ILE 78 Cb 0.00 -3.81 0.16 0.00 -0.71 0.00 0.00 39.64 35.28 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 -1.40 0.85 0.00 0.38 0.05 -1.26 -5.04 135.00 128.59 1aab s PRO 79 Ca 0.08 0.92 0.00 0.00 0.05 0.00 0.00 61.00 62.05 1aab s PRO 79 Cb -0.01 -1.75 0.00 0.00 0.05 0.00 0.00 34.50 32.79 1aab s PRO 79 CO 0.29 -2.55 0.00 -0.35 0.05 0.00 0.00 177.00 174.44 1aab n PRO 80 N -4.11 1.46 -1.77 0.56 -0.04 -1.26 -4.68 135.00 125.17 1aab n PRO 80 Ca 0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 1aab n PRO 80 Cb 0.55 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.92 1aab n PRO 80 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1aab s LYS 81 N 0.00 1.68 0.00 0.54 -2.85 -1.26 -3.97 119.74 113.88 1aab s LYS 81 Ca 0.00 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 1aab s LYS 81 Cb 0.00 -5.05 0.00 0.00 -2.06 0.00 0.00 37.83 30.72 1aab s LYS 81 CO 0.00 -4.85 0.34 0.41 0.10 0.00 0.00 175.35 171.35 1aab n GLY 82 N 6.14 0.93 0.00 0.59 0.00 -1.26 -5.25 105.19 106.35 1aab n GLY 82 Ca 0.43 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.46 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50