#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 4.42 0.00 1.61 -2.85 -1.26 -4.99 119.74 116.67 1aab s LYS 2 Ca 0.00 1.67 0.00 0.00 -1.00 0.00 0.00 55.97 56.64 1aab s LYS 2 Cb 0.00 -2.89 0.00 0.00 -2.06 0.00 0.00 37.83 32.88 1aab s LYS 2 CO 0.00 0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.91 1aab n GLY 3 N 0.82 3.49 3.80 0.59 0.00 -1.26 -5.06 105.19 107.57 1aab n GLY 3 Ca 0.02 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1aab n GLY 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aab s ASP 4 N 0.00 6.75 0.00 1.61 1.01 -1.26 -4.91 116.67 119.87 1aab s ASP 4 Ca 0.00 1.86 0.08 0.00 0.71 0.00 0.00 52.55 55.20 1aab s ASP 4 Cb 0.00 -2.56 0.36 0.00 1.01 0.00 0.00 42.92 41.72 1aab s ASP 4 CO 0.00 -0.49 1.26 -0.81 0.21 0.00 0.00 175.17 175.34 1aab n PRO 5 N -0.48 0.00 0.16 8.23 -0.04 -1.26 -1.86 135.00 139.75 1aab n PRO 5 Ca 0.07 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 1aab n PRO 5 Cb 0.52 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.88 1aab n PRO 5 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1aab h LYS 6 N 0.00 0.00 -7.03 0.54 1.79 -2.05 -3.45 116.57 106.37 1aab h LYS 6 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 1aab h LYS 6 Cb 0.14 0.00 0.19 0.00 -1.58 0.00 0.00 32.23 30.98 1aab h LYS 6 CO 0.00 0.00 0.08 1.63 -1.08 0.00 0.00 179.45 180.08 1aab n LYS 7 N -2.57 0.18 -1.53 3.15 5.02 -0.78 -4.69 118.16 116.94 1aab n LYS 7 Ca 0.04 0.13 -0.34 0.00 -2.02 0.00 0.00 58.31 56.12 1aab n LYS 7 Cb 0.40 -2.25 -0.11 0.00 -0.02 0.00 0.00 35.03 33.06 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 -2.51 0.45 -3.01 1.97 -0.02 -1.26 -4.82 135.00 125.79 1aab n PRO 8 Ca 0.12 -0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 1aab n PRO 8 Cb 0.51 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.57 1aab n PRO 8 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1aab n ARG 9 N 8.37 4.42 -1.84 -0.52 1.85 -1.26 -4.83 116.66 122.85 1aab n ARG 9 Ca 0.53 -4.57 -0.02 0.00 -1.00 0.00 0.00 57.85 52.79 1aab n ARG 9 Cb 0.28 -2.50 -0.02 0.00 -1.05 0.00 0.00 32.46 29.18 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 1.24 -3.70 3.52 2.89 0.00 -1.26 -4.71 105.19 103.16 1aab n GLY 10 Ca 0.27 0.31 -0.39 0.00 0.00 0.00 0.00 46.02 46.21 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 0.54 0.45 -0.70 1.61 -0.00 -1.26 -4.87 118.16 113.93 1aab n LYS 11 Ca -0.14 -0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.85 1aab n LYS 11 Cb 0.21 -2.33 0.16 0.00 -0.00 0.00 0.00 35.03 33.07 1aab n LYS 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1aab n MET 12 N 8.71 -1.19 -2.50 -1.58 2.81 -1.26 -4.95 117.12 117.16 1aab n MET 12 Ca 0.54 -0.32 -0.25 0.00 -1.81 0.00 0.00 57.70 55.86 1aab n MET 12 Cb 0.25 -1.81 0.13 0.00 -0.71 0.00 0.00 33.22 31.08 1aab n MET 12 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1aab s SER 13 N -1.97 3.96 0.32 7.83 0.01 -1.26 -4.77 113.70 117.82 1aab s SER 13 Ca 0.58 -0.38 0.11 0.00 1.31 0.00 0.00 55.95 57.57 1aab s SER 13 Cb -0.16 0.16 0.54 0.00 0.21 0.00 0.00 66.02 66.77 1aab s SER 13 CO 0.66 -2.14 1.73 -1.28 0.41 0.00 0.00 173.24 172.62 1aab h SER 14 N -0.80 0.02 0.01 2.44 0.87 -1.93 -2.61 113.55 111.55 1aab h SER 14 Ca -0.36 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1aab h SER 14 Cb 1.25 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1aab h SER 14 CO 0.36 0.50 -0.00 0.22 -0.53 0.00 0.00 176.83 177.38 1aab h TYR 15 N 0.02 -0.01 -0.43 2.24 3.20 -1.94 -3.10 116.97 116.95 1aab h TYR 15 Ca -0.00 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.99 1aab h TYR 15 Cb 0.85 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1aab h TYR 15 CO 0.00 0.74 0.41 0.00 -1.64 0.00 0.00 178.16 177.67 1aab h ALA 16 N 0.19 2.19 0.00 1.82 0.00 -1.93 0.49 119.26 122.02 1aab h ALA 16 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1aab h ALA 16 Cb 0.75 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1aab h ALA 16 CO 0.00 -0.64 -0.63 0.74 0.00 0.00 0.00 179.25 178.72 1aab h PHE 17 N 0.00 0.00 0.00 0.00 0.04 -1.39 -1.17 116.94 114.42 1aab h PHE 17 Ca 0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1aab h PHE 17 Cb 1.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.18 1aab h PHE 17 CO 0.00 0.63 0.00 0.35 -0.60 0.00 0.00 178.31 178.69 1aab h PHE 18 N 0.00 0.00 0.03 -0.55 3.04 0.01 -2.90 116.94 116.57 1aab h PHE 18 Ca -0.01 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 1aab h PHE 18 Cb 1.12 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.63 1aab h PHE 18 CO 0.00 0.00 -0.47 0.28 -2.02 0.00 0.00 178.31 176.10 1aab h VAL 19 N 0.00 1.53 -0.02 1.41 2.07 -0.74 -1.23 116.25 119.27 1aab h VAL 19 Ca 0.00 -2.35 0.01 0.00 0.82 0.00 0.00 66.70 65.18 1aab h VAL 19 Cb 0.88 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1aab h VAL 19 CO 0.00 0.58 0.05 0.06 0.02 0.00 0.00 177.57 178.28 1aab h GLN 20 N -0.85 0.00 0.14 1.57 -0.00 -1.29 1.09 115.11 115.78 1aab h GLN 20 Ca -0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.25 1aab h GLN 20 Cb 1.22 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.70 1aab h GLN 20 CO -0.01 0.00 -1.35 1.15 -0.00 0.00 0.00 178.83 178.62 1aab h THR 21 N 0.00 1.39 0.00 1.86 2.02 -1.49 -3.07 112.91 113.62 1aab h THR 21 Ca 0.01 -2.95 0.00 0.00 0.77 0.00 0.00 66.41 64.24 1aab h THR 21 Cb 0.11 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1aab h THR 21 CO -0.00 0.87 -0.34 -1.20 0.37 0.00 0.00 175.52 175.22 1aab n SER 22 N -3.54 0.47 -0.01 4.18 7.64 0.63 -3.68 113.62 119.31 1aab n SER 22 Ca -0.12 0.15 -0.17 0.00 1.01 0.00 0.00 58.87 59.75 1aab n SER 22 Cb 1.04 -0.11 -0.12 0.00 -1.01 0.00 0.00 64.21 64.02 1aab n SER 22 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1aab h ARG 23 N 0.00 0.28 -0.11 1.43 2.43 0.10 -1.35 114.38 117.17 1aab h ARG 23 Ca 0.00 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 58.81 1aab h ARG 23 Cb 0.60 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1aab h ARG 23 CO 0.00 1.03 -0.10 0.93 -1.51 0.00 0.00 179.97 180.33 1aab h GLU 24 N -0.33 0.17 0.01 0.20 5.08 -1.63 0.16 114.58 118.24 1aab h GLU 24 Ca -0.06 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.07 1aab h GLU 24 Cb 1.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1aab h GLU 24 CO 0.09 0.28 -0.89 1.05 -1.00 0.00 0.00 179.01 178.54 1aab h GLU 25 N 0.16 0.14 0.00 2.33 4.11 -1.62 -3.18 114.58 116.52 1aab h GLU 25 Ca 0.04 -0.16 -0.13 0.00 0.07 0.00 0.00 59.36 59.18 1aab h GLU 25 Cb 0.28 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1aab h GLU 25 CO 0.02 0.93 -0.63 1.25 0.07 0.00 0.00 179.01 180.65 1aab h HIS 26 N 0.07 0.00 0.00 2.06 2.76 -0.26 -3.06 115.15 116.72 1aab h HIS 26 Ca -0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1aab h HIS 26 Cb 1.53 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.49 1aab h HIS 26 CO 0.02 0.63 0.00 1.63 -1.30 0.00 0.00 177.93 178.91 1aab n LYS 27 N -3.30 0.22 0.00 5.26 4.76 0.48 -2.06 118.16 123.52 1aab n LYS 27 Ca 0.01 0.14 0.13 0.00 -2.87 0.00 0.00 58.31 55.72 1aab n LYS 27 Cb 0.76 -1.50 0.46 0.00 -1.84 0.00 0.00 35.03 32.91 1aab n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1aab n LYS 28 N -1.23 0.17 -2.69 1.97 5.02 -1.16 -4.36 118.16 115.89 1aab n LYS 28 Ca 0.07 -0.06 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1aab n LYS 28 Cb 0.09 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.36 1.34 -2.98 1.97 2.85 -0.87 -5.00 118.16 114.11 1aab n LYS 29 Ca 0.08 -1.53 -0.14 0.00 -1.05 0.00 0.00 58.31 55.67 1aab n LYS 29 Cb 0.33 0.17 0.02 0.00 -0.65 0.00 0.00 35.03 34.89 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 -1.24 -1.40 0.15 5.58 8.25 -1.16 -4.96 115.22 120.44 1aab n HIS 30 Ca -0.12 -2.94 0.01 0.00 -0.26 0.00 0.00 57.72 54.41 1aab n HIS 30 Cb 0.87 0.55 0.19 0.00 1.12 0.00 0.00 29.99 32.72 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 3.27 0.00 0.16 -0.41 0.13 -1.89 -3.28 132.00 129.98 1aab h PRO 31 Ca -0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.80 1aab h PRO 31 Cb 1.01 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.15 1aab h PRO 31 CO 0.34 0.55 -1.62 -0.44 -0.23 0.00 0.00 178.00 176.61 1aab h ASP 32 N 0.00 0.54 -0.91 1.44 3.32 -2.01 -3.34 116.42 115.46 1aab h ASP 32 Ca -0.01 -0.75 0.13 0.00 0.02 0.00 0.00 57.03 56.43 1aab h ASP 32 Cb 1.12 -0.18 -0.09 0.00 0.22 0.00 0.00 39.33 40.41 1aab h ASP 32 CO 0.07 1.62 0.53 0.00 -1.72 0.00 0.00 179.24 179.74 1aab h ALA 33 N 0.30 1.37 0.00 3.45 0.00 -1.96 -3.44 119.26 118.98 1aab h ALA 33 Ca -0.29 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1aab h ALA 33 Cb 2.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1aab h ALA 33 CO 0.18 0.07 0.00 0.45 0.00 0.00 0.00 179.25 179.95 1aab n SER 34 N -4.74 0.00 -3.13 0.00 2.88 -1.24 -4.24 113.62 103.15 1aab n SER 34 Ca 0.17 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.58 1aab n SER 34 Cb 0.38 -0.91 0.01 0.00 -0.75 0.00 0.00 64.21 62.95 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 -2.00 -6.41 1.86 2.46 0.31 -1.26 -4.83 118.33 108.46 1aab n VAL 35 Ca 0.00 0.72 0.16 0.00 -0.01 0.00 0.00 64.34 65.21 1aab n VAL 35 Cb 0.00 -4.81 0.89 0.00 -0.91 0.00 0.00 33.84 29.01 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 0.41 0.09 0.00 4.52 3.02 -1.26 -4.85 115.26 117.19 1aab n ASN 36 Ca -0.00 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1aab n ASN 36 Cb 0.45 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1aab n ASN 36 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1aab n PHE 37 N -0.99 0.00 1.20 3.10 -0.00 -1.26 -4.58 117.46 114.93 1aab n PHE 37 Ca 0.22 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.77 1aab n PHE 37 Cb 0.15 -0.19 0.36 0.00 -0.00 0.00 0.00 39.48 39.80 1aab n PHE 37 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1aab n SER 38 N 0.10 1.71 0.00 -2.13 7.64 -1.26 -3.56 113.62 116.12 1aab n SER 38 Ca 0.00 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.16 1aab n SER 38 Cb 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.35 3.31 -0.06 1.43 -0.58 -1.26 -4.85 120.64 118.99 1aab n GLU 39 Ca 0.16 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.82 1aab n GLU 39 Cb 0.33 -0.44 -0.07 0.00 -0.57 0.00 0.00 31.44 30.69 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 -0.01 -0.55 -0.32 3.57 -1.91 -3.29 116.94 114.43 1aab h PHE 40 Ca 0.00 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1aab h PHE 40 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1aab h PHE 40 CO 0.00 0.52 0.48 0.77 -2.23 0.00 0.00 178.31 177.86 1aab h SER 41 N -0.99 0.00 -0.09 0.41 0.02 -1.91 0.81 113.55 111.79 1aab h SER 41 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1aab h SER 41 Cb 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1aab h SER 41 CO 0.00 0.00 0.04 0.11 -1.14 0.00 0.00 176.83 175.84 1aab h LYS 42 N 0.00 0.18 0.16 3.45 6.56 -1.81 0.30 116.57 125.39 1aab h LYS 42 Ca 0.26 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.83 1aab h LYS 42 Cb 1.23 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1aab h LYS 42 CO -0.00 0.16 -0.07 -0.22 -2.06 0.00 0.00 179.45 177.25 1aab h LYS 43 N 0.18 -0.20 -0.02 3.15 1.63 0.51 -3.03 116.57 118.79 1aab h LYS 43 Ca 0.05 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1aab h LYS 43 Cb 0.06 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1aab h LYS 43 CO -0.00 0.15 0.02 0.00 -3.45 0.00 0.00 179.45 176.16 1aab h SER 45 N 0.00 0.44 0.25 0.00 0.87 -0.46 -0.66 113.55 113.99 1aab h SER 45 Ca 0.01 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1aab h SER 45 Cb 0.04 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1aab h SER 45 CO -0.00 0.39 -0.06 -0.08 -0.53 0.00 0.00 176.83 176.55 1aab h GLU 46 N 0.45 0.00 -0.01 2.24 4.81 -1.19 0.10 114.58 120.99 1aab h GLU 46 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1aab h GLU 46 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1aab h GLU 46 CO -0.02 0.06 -0.19 -2.13 -0.73 0.00 0.00 179.01 176.00 1aab n ARG 47 N -3.59 0.98 -0.03 1.92 0.63 -0.39 -3.94 116.66 112.25 1aab n ARG 47 Ca -0.02 -0.56 -0.07 0.00 -0.92 0.00 0.00 57.85 56.28 1aab n ARG 47 Cb 0.18 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 31.57 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 -0.52 0.00 0.19 -0.14 -0.00 -0.07 -4.52 117.44 112.37 1aab n TRP 48 Ca 0.14 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.70 1aab n TRP 48 Cb 0.34 -0.32 0.33 0.00 -0.00 0.00 0.00 31.31 31.67 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 -0.53 0.00 -0.16 5.87 1.79 -1.09 0.87 116.57 123.32 1aab h LYS 49 Ca -0.07 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 1aab h LYS 49 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1aab h LYS 49 CO -0.04 0.00 -0.45 0.00 -1.08 0.00 0.00 179.45 177.88 1aab h THR 50 N 0.00 1.34 -2.82 -0.16 1.03 -1.77 -3.45 112.91 107.07 1aab h THR 50 Ca 0.00 -1.71 -0.37 0.00 -0.01 0.00 0.00 66.41 64.32 1aab h THR 50 Cb 0.79 1.99 0.21 0.00 -1.07 0.00 0.00 68.15 70.07 1aab h THR 50 CO 0.00 0.52 -0.21 0.23 -0.01 0.00 0.00 175.52 176.05 1aab n MET 51 N -4.23 -3.74 0.00 0.00 2.81 0.30 -5.01 117.12 107.25 1aab n MET 51 Ca -0.07 -1.10 0.00 0.00 -1.81 0.00 0.00 57.70 54.73 1aab n MET 51 Cb 0.56 -1.92 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1aab n MET 51 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1aab n SER 52 N -4.77 0.00 0.00 7.83 2.88 -1.26 -5.01 113.62 113.29 1aab n SER 52 Ca 0.08 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1aab n SER 52 Cb 0.56 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1aab n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aab n ALA 53 N -2.26 0.00 -0.07 -1.46 0.00 -1.26 -4.88 120.51 110.58 1aab n ALA 53 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1aab n ALA 53 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.33 -0.02 0.00 1.57 -1.98 0.95 116.57 117.42 1aab h LYS 54 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1aab h LYS 54 Cb 0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1aab h LYS 54 CO 0.00 0.31 -0.01 0.93 -0.57 0.00 0.00 179.45 180.10 1aab h GLU 55 N 0.27 0.05 0.00 3.15 5.08 -1.97 -1.21 114.58 119.95 1aab h GLU 55 Ca 0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1aab h GLU 55 Cb 0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1aab h GLU 55 CO -0.01 0.48 0.00 1.63 -1.00 0.00 0.00 179.01 180.10 1aab n LYS 56 N -4.84 0.00 -0.05 2.33 5.02 -1.10 -1.44 118.16 118.09 1aab n LYS 56 Ca -0.08 0.45 -0.13 0.00 -2.02 0.00 0.00 58.31 56.53 1aab n LYS 56 Cb 0.24 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 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 0.41 0.36 2.00 0.72 0.00 0.22 0.35 103.07 107.13 1aab h GLY 57 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1aab h GLY 57 CO 0.00 0.35 -0.18 1.70 0.00 0.00 0.00 176.54 178.41 1aab h LYS 58 N -0.07 0.00 0.00 4.80 3.11 -1.18 -1.66 116.57 121.57 1aab h LYS 58 Ca 0.02 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.72 1aab h LYS 58 Cb 0.71 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.92 1aab h LYS 58 CO 0.04 0.18 -0.74 0.74 -2.81 0.00 0.00 179.45 176.86 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.43 -2.78 116.94 114.67 1aab h PHE 59 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1aab h PHE 59 Cb 0.55 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 1aab h PHE 59 CO 0.00 0.62 -0.15 0.93 -0.60 0.00 0.00 178.31 179.11 1aab h GLU 60 N 0.00 0.00 0.02 1.51 4.39 -0.01 -1.89 114.58 118.60 1aab h GLU 60 Ca -0.03 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.46 1aab h GLU 60 Cb 1.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 1aab h GLU 60 CO 0.08 0.15 -0.95 0.22 -1.16 0.00 0.00 179.01 177.35 1aab h ASP 61 N 0.00 0.28 0.03 1.42 3.58 -1.14 -2.05 116.42 118.54 1aab h ASP 61 Ca -0.00 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.20 1aab h ASP 61 Cb 0.78 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1aab h ASP 61 CO 0.02 1.08 -0.01 0.24 -2.88 0.00 0.00 179.24 177.69 1aab h MET 62 N 0.10 -0.04 -0.19 0.28 2.86 -1.33 -1.40 114.93 115.22 1aab h MET 62 Ca -0.06 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1aab h MET 62 Cb 1.61 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.27 1aab h MET 62 CO 0.15 0.56 0.17 0.00 1.06 0.00 0.00 176.91 178.85 1aab h ALA 63 N 0.25 1.94 -0.01 6.32 0.00 -1.42 0.37 119.26 126.71 1aab h ALA 63 Ca -0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1aab h ALA 63 Cb 0.61 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1aab h ALA 63 CO 0.01 -0.27 -0.84 -0.22 0.00 0.00 0.00 179.25 177.93 1aab h LYS 64 N 0.00 0.21 -0.15 0.00 3.64 -1.17 -1.88 116.57 117.22 1aab h LYS 64 Ca 0.09 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 59.12 1aab h LYS 64 Cb 0.43 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1aab h LYS 64 CO -0.00 0.93 -0.48 0.00 -2.27 0.00 0.00 179.45 177.64 1aab h ALA 65 N 0.99 0.90 0.00 5.00 0.00 0.78 -2.25 119.26 124.68 1aab h ALA 65 Ca -0.04 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1aab h ALA 65 Cb 1.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1aab h ALA 65 CO 0.13 0.65 -0.52 0.22 0.00 0.00 0.00 179.25 179.73 1aab h ASP 66 N 0.31 0.00 -0.80 0.00 1.82 -0.86 -2.52 116.42 114.37 1aab h ASP 66 Ca 0.02 0.00 0.07 0.00 -0.39 0.00 0.00 57.03 56.72 1aab h ASP 66 Cb 0.96 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.91 1aab h ASP 66 CO 0.08 0.52 0.52 0.50 -1.61 0.00 0.00 179.24 179.26 1aab h LYS 67 N 0.00 0.83 -0.04 0.28 3.64 -0.72 -0.92 116.57 119.64 1aab h LYS 67 Ca -0.01 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.13 1aab h LYS 67 Cb 0.95 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1aab h LYS 67 CO 0.07 0.55 -0.82 0.00 -2.27 0.00 0.00 179.45 176.98 1aab h ALA 68 N 1.57 0.52 -0.39 5.00 0.00 -1.39 -3.11 119.26 121.45 1aab h ALA 68 Ca 0.34 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1aab h ALA 68 Cb 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1aab h ALA 68 CO -0.12 0.80 0.15 0.00 0.00 0.00 0.00 179.25 180.08 1aab h ARG 69 N 0.23 0.56 0.00 0.00 2.47 -0.95 0.94 114.38 117.63 1aab h ARG 69 Ca -0.05 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1aab h ARG 69 Cb 1.42 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 1aab h ARG 69 CO 0.14 0.47 0.00 0.98 0.56 0.00 0.00 179.97 182.12 1aab n TYR 70 N -4.37 0.00 -0.03 3.04 9.36 -0.63 -2.93 117.16 121.60 1aab n TYR 70 Ca 0.03 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.22 1aab n TYR 70 Cb 0.15 -0.16 -0.04 0.00 -0.63 0.00 0.00 39.34 38.66 1aab n TYR 70 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1aab n GLU 71 N -1.16 2.61 0.00 2.98 -0.58 0.08 -4.59 120.64 119.98 1aab n GLU 71 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1aab n GLU 71 Cb 0.10 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1aab n GLU 71 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1aab n ARG 72 N -2.29 0.00 0.00 3.49 5.12 0.10 -4.25 116.66 118.84 1aab n ARG 72 Ca -0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 1aab n ARG 72 Cb 0.67 -0.25 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 1aab n ARG 72 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1aab n GLU 73 N -0.46 0.00 0.00 5.56 1.02 -1.18 -1.79 120.64 123.79 1aab n GLU 73 Ca 0.00 0.03 0.11 0.00 -0.02 0.00 0.00 57.16 57.28 1aab n GLU 73 Cb 0.00 -1.50 0.54 0.00 -0.02 0.00 0.00 31.44 30.45 1aab n GLU 73 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1aab n MET 74 N -0.98 0.23 -0.01 3.49 1.56 -1.23 -3.03 117.12 117.15 1aab n MET 74 Ca 0.00 0.09 0.00 0.00 -0.27 0.00 0.00 57.70 57.52 1aab n MET 74 Cb 0.00 -1.50 0.01 0.00 2.15 0.00 0.00 33.22 33.88 1aab n MET 74 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1aab n LYS 75 N -1.35 1.05 0.00 2.12 5.02 -0.74 -3.92 118.16 120.35 1aab n LYS 75 Ca 0.09 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1aab n LYS 75 Cb 0.20 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 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 -0.18 0.00 0.00 -0.18 -2.24 -1.17 -5.04 114.28 105.47 1aab n THR 76 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1aab n THR 76 Cb 0.16 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.99 0.00 -2.90 4.78 9.36 -1.22 -4.99 117.16 121.20 1aab n TYR 77 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 1aab n TYR 77 Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 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 -6.71 -0.43 2.97 5.41 -1.26 -4.94 119.36 114.40 1aab n ILE 78 Ca 0.00 1.27 -0.29 0.00 1.00 0.00 0.00 62.75 64.73 1aab n ILE 78 Cb 0.00 -4.59 0.26 0.00 -0.71 0.00 0.00 39.64 34.60 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 1.74 -3.08 0.00 0.38 -0.02 -1.26 -5.00 135.00 127.76 1aab n PRO 79 Ca -0.13 -0.89 0.00 0.00 -2.02 0.00 0.00 63.50 60.46 1aab n PRO 79 Cb 0.30 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 -4.71 0.32 -1.07 0.52 -0.04 -1.26 -4.82 135.00 123.94 1aab n PRO 80 Ca 0.05 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 1aab n PRO 80 Cb 0.56 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.49 1.95 -1.04 0.54 5.02 -1.26 -4.58 118.16 118.30 1aab n LYS 81 Ca 0.00 -1.35 -0.01 0.00 -2.02 0.00 0.00 58.31 54.93 1aab n LYS 81 Cb 0.00 -1.85 -0.01 0.00 -0.02 0.00 0.00 35.03 33.15 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 1.57 0.51 0.00 0.72 0.00 -1.26 -5.34 105.19 101.40 1aab n GLY 82 Ca 0.37 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.76 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50