#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 1.06 -2.83 1.61 5.02 -1.26 -5.01 118.16 116.75 1aab n LYS 2 Ca 0.00 -2.74 -0.03 0.00 -2.02 0.00 0.00 58.31 53.52 1aab n LYS 2 Cb 0.00 -1.15 0.01 0.00 -0.02 0.00 0.00 35.03 33.87 1aab n LYS 2 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1aab s GLY 3 N -2.12 -1.29 0.71 0.72 0.00 -1.26 -5.07 107.32 99.00 1aab s GLY 3 Ca 0.29 -0.25 -0.13 0.00 0.00 0.00 0.00 44.72 44.63 1aab s GLY 3 CO -0.04 3.70 1.10 0.99 0.00 0.00 0.00 173.10 178.84 1aab s ASP 4 N 1.05 4.89 0.08 1.64 1.01 -1.26 -4.92 116.67 119.17 1aab s ASP 4 Ca 0.27 1.89 -0.35 0.00 0.71 0.00 0.00 52.55 55.08 1aab s ASP 4 Cb -0.00 -2.53 -0.14 0.00 1.01 0.00 0.00 42.92 41.26 1aab s ASP 4 CO -0.06 -1.77 1.62 -2.65 0.21 0.00 0.00 175.17 172.52 1aab n PRO 5 N -2.92 1.99 -0.28 8.23 -0.01 -1.26 -1.92 135.00 138.84 1aab n PRO 5 Ca 0.10 0.72 0.00 0.00 -0.01 0.00 0.00 63.50 64.31 1aab n PRO 5 Cb 0.53 -2.49 0.00 0.00 -0.01 0.00 0.00 33.50 31.53 1aab n PRO 5 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1aab n LYS 6 N 4.07 0.00 -2.43 -0.52 5.02 -1.26 -4.91 118.16 118.13 1aab n LYS 6 Ca 0.19 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.06 1aab n LYS 6 Cb 0.27 -3.25 -0.03 0.00 -0.02 0.00 0.00 35.03 32.00 1aab n LYS 6 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1aab s LYS 7 N -0.56 4.49 0.29 1.97 2.20 -0.81 -4.99 119.74 122.33 1aab s LYS 7 Ca 0.00 1.80 -0.05 0.00 -0.36 0.00 0.00 55.97 57.36 1aab s LYS 7 Cb 0.00 -3.29 0.07 0.00 -1.51 0.00 0.00 37.83 33.10 1aab s LYS 7 CO 0.00 -0.12 0.18 -0.35 -0.36 0.00 0.00 175.35 174.71 1aab n PRO 8 N 3.04 -2.38 -2.56 4.03 -0.04 -1.26 -4.67 135.00 131.16 1aab n PRO 8 Ca 0.06 -0.31 -0.01 0.00 -0.04 0.00 0.00 63.50 63.20 1aab n PRO 8 Cb 0.46 -0.37 0.08 0.00 -0.04 0.00 0.00 33.50 33.62 1aab n PRO 8 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1aab n ARG 9 N -2.67 1.33 -1.69 0.54 1.85 -1.26 -4.87 116.66 109.89 1aab n ARG 9 Ca 0.03 -2.04 -0.01 0.00 -1.00 0.00 0.00 57.85 54.83 1aab n ARG 9 Cb 0.12 -0.30 -0.01 0.00 -1.05 0.00 0.00 32.46 31.22 1aab n ARG 9 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1aab n GLY 10 N -1.02 -3.80 3.19 2.89 0.00 -1.26 -4.82 105.19 100.38 1aab n GLY 10 Ca -0.09 0.06 -0.56 0.00 0.00 0.00 0.00 46.02 45.43 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 0.60 0.00 -1.56 1.61 -0.00 -1.26 -4.84 118.16 112.70 1aab n LYS 11 Ca -0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.87 1aab n LYS 11 Cb 0.13 -1.32 0.08 0.00 -0.00 0.00 0.00 35.03 33.93 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 1.42 2.29 0.73 -1.58 -1.94 -1.26 -4.99 119.30 113.97 1aab s MET 12 Ca 0.87 1.95 -0.12 0.00 -1.71 0.00 0.00 55.69 56.67 1aab s MET 12 Cb -1.22 -1.83 0.17 0.00 2.01 0.00 0.00 34.83 33.95 1aab s MET 12 CO 0.62 -1.76 1.00 0.45 -0.01 0.00 0.00 175.02 175.31 1aab n SER 13 N -2.33 0.14 0.17 3.03 2.88 -1.26 -4.71 113.62 111.53 1aab n SER 13 Ca 0.15 -1.40 0.02 0.00 -1.33 0.00 0.00 58.87 56.31 1aab n SER 13 Cb 0.49 -0.76 0.28 0.00 -0.75 0.00 0.00 64.21 63.47 1aab n SER 13 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1aab h SER 14 N -1.27 0.00 0.09 -3.46 0.87 -1.92 -2.37 113.55 105.49 1aab h SER 14 Ca -0.32 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1aab h SER 14 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1aab h SER 14 CO 0.23 0.48 -0.04 0.22 -0.53 0.00 0.00 176.83 177.19 1aab h TYR 15 N 0.00 -0.12 -0.56 2.24 3.20 -1.92 -2.91 116.97 116.90 1aab h TYR 15 Ca -0.00 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.03 1aab h TYR 15 Cb 0.91 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 1aab h TYR 15 CO 0.00 0.41 0.46 0.00 -1.64 0.00 0.00 178.16 177.39 1aab h ALA 16 N -0.22 2.42 -0.12 1.82 0.00 -1.92 0.57 119.26 121.82 1aab h ALA 16 Ca -0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1aab h ALA 16 Cb 0.58 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1aab h ALA 16 CO 0.02 -0.75 -0.56 0.74 0.00 0.00 0.00 179.25 178.70 1aab h PHE 17 N 0.00 0.45 0.00 0.00 -1.00 -1.36 -1.47 116.94 113.56 1aab h PHE 17 Ca 0.27 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1aab h PHE 17 Cb 1.19 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.67 1aab h PHE 17 CO 0.00 0.83 0.00 0.35 -1.61 0.00 0.00 178.31 177.88 1aab h PHE 18 N 0.27 0.00 0.06 -0.55 3.04 0.27 -2.88 116.94 117.16 1aab h PHE 18 Ca 0.00 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.83 1aab h PHE 18 Cb 1.06 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.59 1aab h PHE 18 CO 0.03 0.00 -0.53 0.28 -2.02 0.00 0.00 178.31 176.07 1aab h VAL 19 N 0.00 1.55 0.00 1.41 2.07 -0.42 0.70 116.25 121.55 1aab h VAL 19 Ca 0.00 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.23 1aab h VAL 19 Cb 0.83 3.01 -0.00 0.00 -1.52 0.00 0.00 31.29 33.62 1aab h VAL 19 CO 0.00 0.64 -0.00 0.06 0.02 0.00 0.00 177.57 178.29 1aab h GLN 20 N -0.44 0.00 0.09 1.57 -0.00 -1.29 0.55 115.11 115.58 1aab h GLN 20 Ca -0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.31 1aab h GLN 20 Cb 1.34 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.81 1aab h GLN 20 CO 0.10 0.00 -1.20 1.15 -0.00 0.00 0.00 178.83 178.88 1aab h THR 21 N 0.00 1.53 0.00 1.86 2.02 -1.37 -2.95 112.91 114.00 1aab h THR 21 Ca -0.00 -3.15 -0.12 0.00 0.77 0.00 0.00 66.41 63.91 1aab h THR 21 Cb 0.01 2.89 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1aab h THR 21 CO 0.00 0.91 -0.55 0.28 0.37 0.00 0.00 175.52 176.52 1aab h SER 22 N 0.05 0.00 0.27 4.18 0.02 0.18 -2.97 113.55 115.27 1aab h SER 22 Ca -0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1aab h SER 22 Cb 1.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.46 1aab h SER 22 CO 0.18 0.55 -0.13 -0.09 -1.14 0.00 0.00 176.83 176.20 1aab h ARG 23 N 0.00 -0.35 -0.34 3.45 2.43 -0.00 0.46 114.38 120.02 1aab h ARG 23 Ca -0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1aab h ARG 23 Cb 1.17 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1aab h ARG 23 CO 0.07 -0.14 0.23 0.93 -1.51 0.00 0.00 179.97 179.54 1aab h GLU 24 N -0.49 0.45 0.00 0.20 5.08 -1.53 0.44 114.58 118.72 1aab h GLU 24 Ca -0.04 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1aab h GLU 24 Cb 0.37 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1aab h GLU 24 CO 0.06 0.30 -0.65 0.93 -1.00 0.00 0.00 179.01 178.65 1aab h GLU 25 N 0.46 0.00 0.00 2.33 5.08 -1.28 -2.98 114.58 118.19 1aab h GLU 25 Ca 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1aab h GLU 25 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1aab h GLU 25 CO -0.03 0.65 -0.45 1.25 -1.00 0.00 0.00 179.01 179.44 1aab h HIS 26 N 0.00 0.00 0.00 4.33 -0.00 0.19 -3.10 115.15 116.57 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 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 1aab h HIS 26 CO 0.00 0.18 0.00 1.17 -0.00 0.00 0.00 177.93 179.28 1aab n LYS 27 N -3.03 0.08 0.01 5.26 4.81 0.14 -1.95 118.16 123.48 1aab n LYS 27 Ca 0.02 0.40 0.13 0.00 -0.87 0.00 0.00 58.31 57.99 1aab n LYS 27 Cb 0.61 -1.68 0.58 0.00 0.02 0.00 0.00 35.03 34.56 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 -1.84 0.02 -2.61 1.64 4.76 -1.17 -4.36 118.16 114.61 1aab n LYS 28 Ca 0.02 0.04 -0.05 0.00 -2.87 0.00 0.00 58.31 55.45 1aab n LYS 28 Cb 0.15 -1.53 0.10 0.00 -1.84 0.00 0.00 35.03 31.90 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 -1.57 1.03 -2.93 1.97 2.85 -0.82 -5.03 118.16 113.65 1aab n LYS 29 Ca 0.07 -1.37 -0.14 0.00 -1.05 0.00 0.00 58.31 55.81 1aab n LYS 29 Cb 0.34 0.10 0.01 0.00 -0.65 0.00 0.00 35.03 34.82 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 -0.83 -2.07 0.16 5.58 8.25 -1.12 -4.97 115.22 120.23 1aab n HIS 30 Ca -0.11 -2.53 0.04 0.00 -0.26 0.00 0.00 57.72 54.86 1aab n HIS 30 Cb 0.81 0.78 0.19 0.00 1.12 0.00 0.00 29.99 32.89 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 3.87 0.00 0.00 -0.41 0.13 -1.89 -3.25 132.00 130.45 1aab h PRO 31 Ca -0.05 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.98 1aab h PRO 31 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1aab h PRO 31 CO 0.37 0.44 -1.04 0.38 -0.23 0.00 0.00 178.00 177.93 1aab h ASP 32 N 0.00 0.00 -0.48 1.44 3.04 -2.00 -3.36 116.42 115.06 1aab h ASP 32 Ca -0.00 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.73 1aab h ASP 32 Cb 1.14 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.41 1aab h ASP 32 CO 0.06 0.35 0.10 0.00 -2.04 0.00 0.00 179.24 177.70 1aab h ALA 33 N 1.65 0.64 0.00 4.15 0.00 -1.96 -3.45 119.26 120.28 1aab h ALA 33 Ca -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1aab h ALA 33 Cb 1.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1aab h ALA 33 CO 0.03 0.35 0.00 0.43 0.00 0.00 0.00 179.25 180.06 1aab n SER 34 N -4.45 0.00 -3.19 0.00 7.64 -1.25 -4.25 113.62 108.11 1aab n SER 34 Ca 0.01 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.73 1aab n SER 34 Cb 0.24 -1.03 0.02 0.00 -1.01 0.00 0.00 64.21 62.42 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 -1.84 -5.50 0.27 0.44 0.31 -1.26 -4.85 118.33 105.91 1aab n VAL 35 Ca 0.00 0.60 0.04 0.00 -0.01 0.00 0.00 64.34 64.97 1aab n VAL 35 Cb 0.00 -4.40 0.19 0.00 -0.91 0.00 0.00 33.84 28.72 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 0.43 2.98 -3.80 4.52 3.02 -1.26 -4.89 115.26 116.25 1aab n ASN 36 Ca -0.01 -2.33 -0.25 0.00 -0.03 0.00 0.00 54.58 51.95 1aab n ASN 36 Cb 0.49 -0.49 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.39 -1.80 -1.07 3.10 3.72 -1.26 -4.73 117.46 115.83 1aab n PHE 37 Ca 0.14 0.72 0.00 0.00 -0.05 0.00 0.00 57.45 58.25 1aab n PHE 37 Cb 0.61 -3.89 0.00 0.00 -0.94 0.00 0.00 39.48 35.25 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 -2.95 0.00 0.00 4.37 3.41 -1.26 -4.91 113.62 112.28 1aab n SER 38 Ca -0.26 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 1aab n SER 38 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 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 2.28 -0.06 4.33 1.02 -1.26 -4.88 120.64 122.07 1aab n GLU 39 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1aab n GLU 39 Cb 0.23 -0.24 -0.01 0.00 -0.02 0.00 0.00 31.44 31.39 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 -0.86 -0.32 3.57 -1.94 -3.33 116.94 114.07 1aab h PHE 40 Ca 0.00 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 1aab h PHE 40 Cb 0.00 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1aab h PHE 40 CO 0.00 0.00 0.60 0.66 -2.23 0.00 0.00 178.31 177.34 1aab h SER 41 N -0.91 0.11 -0.50 0.41 4.64 -1.93 0.94 113.55 116.31 1aab h SER 41 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1aab h SER 41 Cb 0.32 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1aab h SER 41 CO 0.00 0.04 0.33 0.50 -0.87 0.00 0.00 176.83 176.83 1aab h LYS 42 N 0.10 0.66 0.01 4.77 3.64 -1.90 0.11 116.57 123.96 1aab h LYS 42 Ca 0.42 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1aab h LYS 42 Cb 1.50 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1aab h LYS 42 CO -0.05 0.44 -0.33 -0.22 -2.27 0.00 0.00 179.45 177.02 1aab h LYS 43 N 0.68 0.20 -0.60 1.90 3.64 0.75 -3.13 116.57 120.00 1aab h LYS 43 Ca 0.18 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1aab h LYS 43 Cb -0.07 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1aab h LYS 43 CO -0.04 0.99 0.40 0.00 -2.27 0.00 0.00 179.45 178.53 1aab h SER 45 N 0.80 -0.06 0.26 0.00 0.87 -0.84 0.48 113.55 115.05 1aab h SER 45 Ca 0.22 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1aab h SER 45 Cb -0.07 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1aab h SER 45 CO -0.05 -0.00 0.00 1.21 -0.53 0.00 0.00 176.83 177.46 1aab n GLU 46 N -5.13 0.16 0.00 2.24 2.13 -0.68 -0.90 120.64 118.46 1aab n GLU 46 Ca -0.02 0.56 0.10 0.00 0.66 0.00 0.00 57.16 58.47 1aab n GLU 46 Cb 0.12 -1.93 -0.09 0.00 0.27 0.00 0.00 31.44 29.81 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 -2.26 0.46 -0.07 5.31 0.63 0.12 -4.41 116.66 116.44 1aab n ARG 47 Ca -0.00 -0.26 -0.11 0.00 -0.92 0.00 0.00 57.85 56.56 1aab n ARG 47 Cb 0.10 -1.47 -0.04 0.00 0.45 0.00 0.00 32.46 31.51 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 -1.10 0.00 0.14 -0.14 -0.00 0.12 -4.31 117.44 112.15 1aab n TRP 48 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.60 1aab n TRP 48 Cb 0.36 -0.49 0.24 0.00 -0.00 0.00 0.00 31.31 31.43 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 -4.24 0.06 0.03 5.87 5.02 -0.44 -0.37 118.16 124.09 1aab n LYS 49 Ca -0.18 0.50 -0.18 0.00 -2.02 0.00 0.00 58.31 56.44 1aab n LYS 49 Cb 0.50 -2.08 -0.14 0.00 -0.02 0.00 0.00 35.03 33.29 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 0.90 -2.66 -0.18 1.03 -1.78 -3.48 112.91 106.74 1aab h THR 50 Ca 0.00 -2.59 -0.38 0.00 -0.01 0.00 0.00 66.41 63.43 1aab h THR 50 Cb 0.74 2.63 0.21 0.00 -1.07 0.00 0.00 68.15 70.66 1aab h THR 50 CO 0.00 0.80 -0.38 0.23 -0.01 0.00 0.00 175.52 176.16 1aab n MET 51 N -3.42 -2.98 -3.51 0.00 2.81 0.50 -5.00 117.12 105.51 1aab n MET 51 Ca -0.23 -0.86 -0.25 0.00 -1.81 0.00 0.00 57.70 54.55 1aab n MET 51 Cb 1.05 -1.86 -0.02 0.00 -0.71 0.00 0.00 33.22 31.68 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 -2.37 6.33 0.64 7.83 0.01 -1.26 -4.93 113.70 119.95 1aab s SER 52 Ca 0.60 0.42 0.35 0.00 1.31 0.00 0.00 55.95 58.63 1aab s SER 52 Cb -0.15 -2.02 1.98 0.00 0.21 0.00 0.00 66.02 66.04 1aab s SER 52 CO 0.58 -0.21 2.19 0.00 0.41 0.00 0.00 173.24 176.21 1aab h ALA 53 N 1.15 1.37 0.21 1.44 0.00 -1.94 -0.75 119.26 120.74 1aab h ALA 53 Ca -0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 53 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1aab h ALA 53 CO 0.63 -0.15 -0.10 0.87 0.00 0.00 0.00 179.25 180.50 1aab h LYS 54 N 0.00 -0.28 -0.23 0.00 1.57 -1.97 0.93 116.57 116.59 1aab h LYS 54 Ca 0.02 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1aab h LYS 54 Cb 0.28 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1aab h LYS 54 CO -0.00 -0.06 -0.14 0.93 -0.57 0.00 0.00 179.45 179.61 1aab h GLU 55 N -0.45 0.50 0.00 3.15 5.08 -1.67 -1.01 114.58 120.19 1aab h GLU 55 Ca -0.03 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1aab h GLU 55 Cb 0.34 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1aab h GLU 55 CO 0.05 0.79 0.00 1.63 -1.00 0.00 0.00 179.01 180.48 1aab n LYS 56 N -4.48 0.41 -0.04 2.33 5.02 -0.39 -2.60 118.16 118.41 1aab n LYS 56 Ca -0.04 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 1aab n LYS 56 Cb 0.36 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 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 2.69 0.08 2.00 0.72 0.00 0.23 -2.11 103.07 106.69 1aab h GLY 57 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1aab h GLY 57 CO 0.00 0.15 -0.14 0.07 0.00 0.00 0.00 176.54 176.62 1aab h LYS 58 N -0.75 0.00 0.00 4.80 2.10 -1.40 -0.35 116.57 120.97 1aab h LYS 58 Ca -0.02 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.52 1aab h LYS 58 Cb 1.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.32 1aab h LYS 58 CO 0.03 0.14 -0.52 0.74 -2.00 0.00 0.00 179.45 177.84 1aab h PHE 59 N 0.00 0.00 0.00 0.07 0.04 -1.58 -1.83 116.94 113.64 1aab h PHE 59 Ca -0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1aab h PHE 59 Cb 0.47 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1aab h PHE 59 CO 0.00 0.52 -0.35 1.49 -0.60 0.00 0.00 178.31 179.37 1aab h GLU 60 N 0.00 0.00 0.00 1.51 4.22 -0.37 -0.81 114.58 119.13 1aab h GLU 60 Ca -0.01 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.22 1aab h GLU 60 Cb 1.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1aab h GLU 60 CO 0.07 0.35 -1.04 0.22 -2.18 0.00 0.00 179.01 176.43 1aab h ASP 61 N 0.00 0.00 -0.01 1.04 1.82 -0.88 -2.51 116.42 115.88 1aab h ASP 61 Ca -0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.60 1aab h ASP 61 Cb 0.99 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.01 1aab h ASP 61 CO 0.05 0.98 -0.12 0.24 -1.61 0.00 0.00 179.24 178.77 1aab h MET 62 N 0.00 0.09 -0.03 0.28 2.86 -0.98 -0.94 114.93 116.21 1aab h MET 62 Ca -0.03 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1aab h MET 62 Cb 1.77 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.45 1aab h MET 62 CO 0.12 0.82 0.03 0.00 1.06 0.00 0.00 176.91 178.94 1aab h ALA 63 N 0.27 1.89 -0.05 6.32 0.00 -1.24 0.12 119.26 126.56 1aab h ALA 63 Ca -0.01 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1aab h ALA 63 Cb 0.86 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1aab h ALA 63 CO 0.02 -0.05 -0.79 -0.22 0.00 0.00 0.00 179.25 178.21 1aab h LYS 64 N 0.00 0.40 -0.15 0.00 3.64 -1.31 -1.22 116.57 117.94 1aab h LYS 64 Ca 0.02 -0.36 -0.12 0.00 -1.27 0.00 0.00 60.65 58.92 1aab h LYS 64 Cb 0.07 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1aab h LYS 64 CO -0.00 1.01 -0.42 0.00 -2.27 0.00 0.00 179.45 177.78 1aab h ALA 65 N 0.88 1.02 -0.01 5.00 0.00 0.56 -1.94 119.26 124.76 1aab h ALA 65 Ca -0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1aab h ALA 65 Cb 1.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1aab h ALA 65 CO 0.14 0.61 -0.56 0.22 0.00 0.00 0.00 179.25 179.66 1aab h ASP 66 N 0.28 0.05 -0.75 0.00 3.58 -0.74 -2.52 116.42 116.32 1aab h ASP 66 Ca 0.02 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.53 1aab h ASP 66 Cb 0.85 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.84 1aab h ASP 66 CO 0.07 0.59 0.49 0.50 -2.88 0.00 0.00 179.24 178.02 1aab h LYS 67 N 0.03 0.71 -0.06 0.28 3.64 -0.41 0.19 116.57 120.95 1aab h LYS 67 Ca -0.00 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1aab h LYS 67 Cb 1.00 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1aab h LYS 67 CO 0.07 0.47 -0.75 0.00 -2.27 0.00 0.00 179.45 176.97 1aab h ALA 68 N 1.61 0.58 -0.34 5.00 0.00 -1.34 -3.08 119.26 121.69 1aab h ALA 68 Ca 0.34 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1aab h ALA 68 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1aab h ALA 68 CO -0.12 0.78 -0.15 0.00 0.00 0.00 0.00 179.25 179.76 1aab h ARG 69 N 0.25 0.60 -0.58 0.00 2.47 -0.90 -1.29 114.38 114.94 1aab h ARG 69 Ca -0.03 -0.19 0.02 0.00 -1.26 0.00 0.00 59.98 58.51 1aab h ARG 69 Cb 1.33 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.56 1aab h ARG 69 CO 0.13 0.73 0.35 -0.92 0.56 0.00 0.00 179.97 180.82 1aab h TYR 70 N 0.55 0.66 0.00 3.04 5.03 -0.95 0.06 116.97 125.36 1aab h TYR 70 Ca 0.09 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.35 1aab h TYR 70 Cb 0.57 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 1aab h TYR 70 CO 0.02 0.38 -0.34 0.93 -1.32 0.00 0.00 178.16 177.83 1aab h GLU 71 N 0.70 0.00 0.00 1.82 5.08 -1.47 -3.07 114.58 117.65 1aab h GLU 71 Ca 0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1aab h GLU 71 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1aab h GLU 71 CO -0.09 0.34 -0.18 -0.09 -1.00 0.00 0.00 179.01 177.99 1aab h ARG 72 N 0.00 0.00 0.00 2.33 2.43 -0.28 -3.24 114.38 115.63 1aab h ARG 72 Ca -0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1aab h ARG 72 Cb 1.03 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1aab h ARG 72 CO 0.04 0.18 -0.82 0.93 -1.51 0.00 0.00 179.97 178.79 1aab h GLU 73 N 0.00 0.00 0.00 0.20 5.08 -0.92 -3.15 114.58 115.79 1aab h GLU 73 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aab h GLU 73 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1aab h GLU 73 CO 0.02 0.82 0.00 -1.33 -1.00 0.00 0.00 179.01 177.53 1aab n MET 74 N -3.35 0.11 0.00 2.33 2.81 -1.22 -1.57 117.12 116.23 1aab n MET 74 Ca 0.00 0.52 0.08 0.00 -1.81 0.00 0.00 57.70 56.49 1aab n MET 74 Cb 0.85 -1.80 0.46 0.00 -0.71 0.00 0.00 33.22 32.02 1aab n MET 74 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1aab n LYS 75 N -2.02 0.78 0.00 0.03 5.02 -1.19 -3.59 118.16 117.19 1aab n LYS 75 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1aab n LYS 75 Cb 0.09 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 -0.81 0.00 0.00 -0.18 -2.24 -0.61 -5.03 114.28 105.41 1aab n THR 76 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1aab n THR 76 Cb 0.05 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 -2.96 4.78 9.36 -1.07 -4.99 117.16 122.28 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 0.08 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.78 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 -5.60 -1.03 2.97 -0.00 -1.26 -4.95 119.36 109.49 1aab n ILE 78 Ca 0.00 1.03 -0.28 0.00 -0.00 0.00 0.00 62.75 63.49 1aab n ILE 78 Cb 0.00 -4.23 0.20 0.00 -0.00 0.00 0.00 39.64 35.60 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 -0.73 0.05 0.00 0.38 0.05 -1.26 -5.04 135.00 128.45 1aab s PRO 79 Ca -0.06 0.56 0.00 0.00 0.05 0.00 0.00 61.00 61.56 1aab s PRO 79 Cb 0.00 -1.69 0.00 0.00 0.05 0.00 0.00 34.50 32.86 1aab s PRO 79 CO 0.30 -3.00 0.00 -0.35 0.05 0.00 0.00 177.00 174.00 1aab n PRO 80 N -4.37 1.20 -0.54 0.56 -0.04 -1.26 -4.76 135.00 125.79 1aab n PRO 80 Ca 0.05 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.49 1aab n PRO 80 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 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 1.09 0.00 0.54 5.02 -1.26 -4.69 118.16 118.86 1aab n LYS 81 Ca 0.00 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1aab n LYS 81 Cb 0.00 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 1.64 1.76 0.00 0.72 0.00 -1.26 -5.37 105.19 102.68 1aab n GLY 82 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1aab n GLY 82 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48