#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 1.15 0.00 1.61 2.20 -1.26 -5.18 119.74 118.27 1aab s LYS 2 Ca 0.00 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1aab s LYS 2 Cb 0.00 0.50 0.00 0.00 -1.51 0.00 0.00 37.83 36.82 1aab s LYS 2 CO 0.00 -0.51 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 1aab n GLY 3 N -0.34 -0.75 3.43 5.54 0.00 -1.26 -5.12 105.19 106.68 1aab n GLY 3 Ca -0.12 -1.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.00 -0.51 -0.44 1.61 1.01 -1.26 -5.09 116.67 110.98 1aab s ASP 4 Ca 0.00 0.31 -0.28 0.00 0.71 0.00 0.00 52.55 53.29 1aab s ASP 4 Cb 0.00 0.51 -0.08 0.00 1.01 0.00 0.00 42.92 44.36 1aab s ASP 4 CO 0.00 -0.71 2.37 -0.81 0.21 0.00 0.00 175.17 176.23 1aab n PRO 5 N 0.49 1.21 -4.34 8.23 -0.04 -1.26 -3.32 135.00 135.97 1aab n PRO 5 Ca -0.18 0.16 -0.36 0.00 -0.04 0.00 0.00 63.50 63.08 1aab n PRO 5 Cb 0.60 -3.18 -0.09 0.00 -0.04 0.00 0.00 33.50 30.79 1aab n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1aab n LYS 6 N 8.84 -0.83 -2.90 0.54 4.76 -1.26 -4.89 118.16 122.42 1aab n LYS 6 Ca 0.38 0.11 -0.42 0.00 -2.87 0.00 0.00 58.31 55.51 1aab n LYS 6 Cb 0.46 -3.98 -0.04 0.00 -1.84 0.00 0.00 35.03 29.62 1aab n LYS 6 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1aab s LYS 7 N -7.10 4.13 -1.11 1.97 2.20 -1.21 -4.95 119.74 113.66 1aab s LYS 7 Ca 0.40 0.86 -0.20 0.00 -0.36 0.00 0.00 55.97 56.67 1aab s LYS 7 Cb -0.24 -3.66 -0.06 0.00 -1.51 0.00 0.00 37.83 32.35 1aab s LYS 7 CO 0.97 -0.56 1.93 -0.35 -0.36 0.00 0.00 175.35 176.99 1aab n PRO 8 N 6.06 2.03 -2.42 4.03 -0.04 -1.26 -4.89 135.00 138.52 1aab n PRO 8 Ca 0.05 -2.44 -0.40 0.00 -0.04 0.00 0.00 63.50 60.67 1aab n PRO 8 Cb 0.48 -3.37 -0.03 0.00 -0.04 0.00 0.00 33.50 30.54 1aab n PRO 8 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1aab s ARG 9 N 5.14 3.08 0.00 0.54 3.00 -1.26 -4.69 118.95 124.77 1aab s ARG 9 Ca 0.59 -0.15 0.00 0.00 -1.00 0.00 0.00 55.73 55.17 1aab s ARG 9 Cb 0.07 -4.39 0.00 0.00 0.00 0.00 0.00 34.95 30.63 1aab s ARG 9 CO 0.09 -2.33 0.00 0.41 0.00 0.00 0.00 175.30 173.47 1aab n GLY 10 N 5.67 0.84 3.57 8.12 0.00 -1.26 -5.00 105.19 117.12 1aab n GLY 10 Ca 0.11 0.34 -0.24 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.58 -2.32 1.61 4.81 -1.26 -4.87 118.16 114.55 1aab n LYS 11 Ca 0.00 0.08 -0.33 0.00 -0.87 0.00 0.00 58.31 57.19 1aab n LYS 11 Cb 0.00 -4.33 -0.02 0.00 0.02 0.00 0.00 35.03 30.70 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 -5.99 3.70 1.07 1.64 -1.94 -1.26 -4.96 119.30 111.56 1aab s MET 12 Ca 0.47 1.14 -0.15 0.00 -1.71 0.00 0.00 55.69 55.44 1aab s MET 12 Cb -0.28 -2.09 0.22 0.00 2.01 0.00 0.00 34.83 34.70 1aab s MET 12 CO 0.58 -0.49 1.12 0.45 -0.01 0.00 0.00 175.02 176.67 1aab s SER 13 N -2.70 2.05 0.29 3.03 0.15 -1.26 -4.56 113.70 110.70 1aab s SER 13 Ca 0.62 0.87 0.06 0.00 0.70 0.00 0.00 55.95 58.20 1aab s SER 13 Cb -0.13 -1.31 0.46 0.00 -1.71 0.00 0.00 66.02 63.32 1aab s SER 13 CO 0.30 -3.45 1.71 -1.28 1.20 0.00 0.00 173.24 171.72 1aab h SER 14 N -2.11 0.29 0.10 5.45 0.87 -1.92 -1.78 113.55 114.45 1aab h SER 14 Ca -0.50 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1aab h SER 14 Cb 1.31 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1aab h SER 14 CO 0.48 0.65 -0.05 0.22 -0.53 0.00 0.00 176.83 177.60 1aab h TYR 15 N 0.24 -0.12 -0.49 2.24 3.20 -1.91 -2.95 116.97 117.18 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 0.78 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1aab h TYR 15 CO 0.02 0.39 0.42 0.00 -1.64 0.00 0.00 178.16 177.35 1aab h ALA 16 N -0.01 2.32 -0.10 1.82 0.00 -1.90 0.44 119.26 121.82 1aab h ALA 16 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1aab h ALA 16 Cb 0.57 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1aab h ALA 16 CO 0.02 -0.67 -0.52 0.74 0.00 0.00 0.00 179.25 178.82 1aab h PHE 17 N 0.00 0.34 0.00 0.00 0.04 -1.18 -1.56 116.94 114.57 1aab h PHE 17 Ca 0.23 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1aab h PHE 17 Cb 1.07 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.16 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 0.22 0.00 0.07 -0.55 3.04 -0.01 -3.02 116.94 116.68 1aab h PHE 18 Ca 0.01 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.79 1aab h PHE 18 Cb 0.98 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.49 1aab h PHE 18 CO 0.02 0.00 -0.83 0.28 -2.02 0.00 0.00 178.31 175.76 1aab h VAL 19 N 0.00 1.35 0.00 1.41 2.07 -0.41 -1.54 116.25 119.14 1aab h VAL 19 Ca 0.00 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.13 1aab h VAL 19 Cb 0.73 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1aab h VAL 19 CO 0.00 0.62 -0.03 0.06 0.02 0.00 0.00 177.57 178.24 1aab h GLN 20 N -0.63 0.00 0.05 1.57 3.07 -1.36 1.15 115.11 118.95 1aab h GLN 20 Ca -0.18 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.32 1aab h GLN 20 Cb 1.44 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.00 1aab h GLN 20 CO 0.02 0.03 -1.04 1.15 0.09 0.00 0.00 178.83 179.08 1aab h THR 21 N 0.00 1.47 0.00 1.86 2.02 -1.53 -2.90 112.91 113.83 1aab h THR 21 Ca -0.00 -2.75 0.00 0.00 0.77 0.00 0.00 66.41 64.43 1aab h THR 21 Cb 0.08 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1aab h THR 21 CO 0.00 0.81 -0.26 -1.28 0.37 0.00 0.00 175.52 175.16 1aab h SER 22 N 0.14 0.00 0.09 4.18 0.87 0.55 -3.30 113.55 116.07 1aab h SER 22 Ca -0.09 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1aab h SER 22 Cb 1.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1aab h SER 22 CO 0.17 0.03 -0.04 -0.09 -0.53 0.00 0.00 176.83 176.37 1aab h ARG 23 N 0.00 -0.11 -0.28 2.24 2.43 0.13 0.31 114.38 119.09 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 0.82 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1aab h ARG 23 CO 0.00 0.39 0.23 0.93 -1.51 0.00 0.00 179.97 180.01 1aab h GLU 24 N -0.71 0.00 0.00 0.20 5.08 -1.62 0.68 114.58 118.22 1aab h GLU 24 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1aab h GLU 24 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1aab h GLU 24 CO 0.02 0.00 -0.85 0.93 -1.00 0.00 0.00 179.01 178.11 1aab h GLU 25 N 0.00 0.00 0.00 2.33 5.08 -1.60 -3.27 114.58 117.13 1aab h GLU 25 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1aab h GLU 25 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1aab h GLU 25 CO -0.00 0.71 -0.81 1.58 -1.00 0.00 0.00 179.01 179.49 1aab n HIS 26 N -3.25 0.30 0.92 4.33 -0.00 0.89 -3.92 115.22 114.50 1aab n HIS 26 Ca -0.01 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1aab n HIS 26 Cb 0.85 -0.46 0.02 0.00 -0.12 0.00 0.00 29.99 30.28 1aab n HIS 26 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1aab n LYS 27 N -1.92 0.46 0.00 1.57 4.76 0.20 -1.46 118.16 121.77 1aab n LYS 27 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1aab n LYS 27 Cb 0.42 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 1aab n LYS 27 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1aab n LYS 28 N -0.52 0.56 0.00 1.97 4.81 -1.26 -4.72 118.16 119.00 1aab n LYS 28 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.58 1aab n LYS 28 Cb 0.00 -0.60 0.45 0.00 0.02 0.00 0.00 35.03 34.91 1aab n LYS 28 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1aab n LYS 29 N -1.02 0.82 -3.14 1.64 4.81 -1.12 -4.27 118.16 115.87 1aab n LYS 29 Ca 0.00 -0.43 -0.18 0.00 -0.87 0.00 0.00 58.31 56.84 1aab n LYS 29 Cb 0.10 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 33.63 1aab n LYS 29 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1aab n HIS 30 N -0.71 -0.17 0.26 5.64 8.25 -0.54 -4.95 115.22 123.00 1aab n HIS 30 Ca 0.13 -3.63 0.12 0.00 -0.26 0.00 0.00 57.72 54.08 1aab n HIS 30 Cb 0.33 -0.21 0.68 0.00 1.12 0.00 0.00 29.99 31.91 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 3.08 0.00 0.00 -0.41 0.13 -1.78 -2.80 132.00 130.22 1aab h PRO 31 Ca 0.08 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.10 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 0.46 0.14 -0.87 -0.44 -0.23 0.00 0.00 178.00 177.06 1aab h ASP 32 N 0.00 0.00 -0.15 1.44 3.32 -1.95 -3.33 116.42 115.75 1aab h ASP 32 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1aab h ASP 32 Cb 0.39 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1aab h ASP 32 CO 0.02 0.45 -0.10 0.00 -1.72 0.00 0.00 179.24 177.89 1aab h ALA 33 N 1.55 1.29 0.00 3.45 0.00 -1.90 -3.45 119.26 120.20 1aab h ALA 33 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1aab h ALA 33 Cb 1.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1aab h ALA 33 CO 0.05 0.47 0.00 0.43 0.00 0.00 0.00 179.25 180.20 1aab n SER 34 N -4.22 0.00 -3.09 0.00 7.64 -1.25 -4.10 113.62 108.60 1aab n SER 34 Ca 0.01 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.81 1aab n SER 34 Cb 0.30 -1.85 0.01 0.00 -1.01 0.00 0.00 64.21 61.66 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 -2.00 -5.96 1.75 0.44 0.31 -1.26 -4.82 118.33 106.79 1aab n VAL 35 Ca 0.00 0.82 0.02 0.00 -0.01 0.00 0.00 64.34 65.17 1aab n VAL 35 Cb 0.00 -4.59 0.08 0.00 -0.91 0.00 0.00 33.84 28.42 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 0.70 0.43 -2.92 4.52 3.02 -1.26 -4.84 115.26 114.91 1aab n ASN 36 Ca -0.00 -1.95 -0.18 0.00 -0.03 0.00 0.00 54.58 52.41 1aab n ASN 36 Cb 0.40 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 -0.29 -1.65 -1.68 3.10 3.72 -1.26 -4.64 117.46 114.76 1aab n PHE 37 Ca 0.04 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 1aab n PHE 37 Cb 0.07 -3.05 0.00 0.00 -0.94 0.00 0.00 39.48 35.56 1aab n PHE 37 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1aab n SER 38 N -2.11 0.00 0.00 4.37 7.64 -1.26 -4.89 113.62 117.37 1aab n SER 38 Ca -0.08 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.80 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 1.29 -0.01 1.43 1.02 -1.26 -4.91 120.64 118.20 1aab n GLU 39 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1aab n GLU 39 Cb 0.49 -0.20 -0.07 0.00 -0.02 0.00 0.00 31.44 31.65 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 -0.09 -0.40 -0.32 3.57 -1.92 -3.23 116.94 114.54 1aab h PHE 40 Ca 0.00 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.61 1aab h PHE 40 Cb 0.00 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1aab h PHE 40 CO 0.00 0.38 0.49 0.66 -2.23 0.00 0.00 178.31 177.60 1aab h SER 41 N -0.95 0.00 -0.40 0.41 4.64 -1.92 0.72 113.55 116.04 1aab h SER 41 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1aab h SER 41 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1aab h SER 41 CO 0.02 0.00 0.20 0.50 -0.87 0.00 0.00 176.83 176.67 1aab h LYS 42 N 0.00 0.62 0.05 4.77 3.64 -1.91 0.13 116.57 123.88 1aab h LYS 42 Ca 0.19 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1aab h LYS 42 Cb 1.16 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1aab h LYS 42 CO -0.00 0.50 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.43 1aab h LYS 43 N 0.62 -0.06 -0.51 1.90 1.63 0.34 -3.12 116.57 117.37 1aab h LYS 43 Ca 0.16 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1aab h LYS 43 Cb 0.09 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 1aab h LYS 43 CO -0.02 0.57 0.34 0.00 -3.45 0.00 0.00 179.45 176.89 1aab h SER 45 N 0.67 -0.03 0.44 0.00 0.87 -0.80 0.45 113.55 115.14 1aab h SER 45 Ca 0.19 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1aab h SER 45 Cb -0.04 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1aab h SER 45 CO -0.04 0.02 0.00 -0.08 -0.53 0.00 0.00 176.83 176.20 1aab h GLU 46 N 0.14 0.00 -0.01 2.24 4.81 -1.30 0.55 114.58 121.01 1aab h GLU 46 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 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 -0.19 0.00 -0.45 -2.13 -0.73 0.00 0.00 179.01 175.51 1aab n ARG 47 N -3.06 0.64 -0.05 1.92 0.63 0.12 -4.10 116.66 112.76 1aab n ARG 47 Ca -0.01 -0.44 -0.08 0.00 -0.92 0.00 0.00 57.85 56.40 1aab n ARG 47 Cb 0.17 -1.49 -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 -0.80 0.00 0.28 -0.14 -0.00 0.99 -4.48 117.44 113.30 1aab n TRP 48 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.67 1aab n TRP 48 Cb 0.37 -0.37 0.44 0.00 -0.00 0.00 0.00 31.31 31.75 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 -0.66 0.00 -0.07 5.87 1.57 -1.20 0.16 116.57 122.24 1aab h LYS 49 Ca -0.06 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1aab h LYS 49 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1aab h LYS 49 CO -0.03 0.00 -0.37 0.00 -0.57 0.00 0.00 179.45 178.48 1aab h THR 50 N 0.00 1.42 -2.63 -0.16 1.03 -1.77 -3.46 112.91 107.34 1aab h THR 50 Ca 0.00 -1.77 -0.38 0.00 -0.01 0.00 0.00 66.41 64.26 1aab h THR 50 Cb 1.06 2.33 0.20 0.00 -1.07 0.00 0.00 68.15 70.67 1aab h THR 50 CO 0.00 0.51 -0.37 0.23 -0.01 0.00 0.00 175.52 175.88 1aab n MET 51 N -4.38 -3.02 -3.47 0.00 2.81 0.56 -5.02 117.12 104.59 1aab n MET 51 Ca -0.08 -0.88 -0.19 0.00 -1.81 0.00 0.00 57.70 54.73 1aab n MET 51 Cb 0.53 -1.84 -0.00 0.00 -0.71 0.00 0.00 33.22 31.19 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 -2.38 5.99 0.63 7.83 1.04 -1.26 -4.94 113.70 120.62 1aab s SER 52 Ca 0.59 -0.12 0.34 0.00 0.48 0.00 0.00 55.95 57.24 1aab s SER 52 Cb -0.15 -1.31 1.93 0.00 0.10 0.00 0.00 66.02 66.59 1aab s SER 52 CO 0.57 -0.42 2.17 0.00 0.98 0.00 0.00 173.24 176.53 1aab h ALA 53 N 0.88 1.41 0.82 5.32 0.00 -1.95 -1.43 119.26 124.30 1aab h ALA 53 Ca -0.46 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 53 Cb 1.25 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1aab h ALA 53 CO 0.54 -0.18 -0.39 0.87 0.00 0.00 0.00 179.25 180.08 1aab h LYS 54 N 0.00 -1.06 -0.50 0.00 1.57 -1.97 0.87 116.57 115.47 1aab h LYS 54 Ca 0.03 0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1aab h LYS 54 Cb 0.33 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1aab h LYS 54 CO -0.00 -0.70 -0.13 0.93 -0.57 0.00 0.00 179.45 178.97 1aab h GLU 55 N -1.12 0.98 0.00 3.15 5.08 -1.80 -0.83 114.58 120.04 1aab h GLU 55 Ca -0.11 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1aab h GLU 55 Cb 0.85 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1aab h GLU 55 CO 0.18 1.05 0.00 1.63 -1.00 0.00 0.00 179.01 180.88 1aab n LYS 56 N -4.18 0.19 0.08 2.33 5.02 -0.60 -1.66 118.16 119.35 1aab n LYS 56 Ca 0.01 0.14 -0.12 0.00 -2.02 0.00 0.00 58.31 56.32 1aab n LYS 56 Cb 0.41 -1.50 -0.13 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 2.88 0.17 2.00 0.72 0.00 0.23 -1.95 103.07 107.12 1aab h GLY 57 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1aab h GLY 57 CO 0.00 0.38 -0.46 1.70 0.00 0.00 0.00 176.54 178.16 1aab h LYS 58 N 0.04 0.00 0.00 4.80 3.11 -1.12 -2.73 116.57 120.67 1aab h LYS 58 Ca -0.10 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.59 1aab h LYS 58 Cb 1.90 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.11 1aab h LYS 58 CO 0.16 0.46 -0.79 0.74 -2.81 0.00 0.00 179.45 177.21 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.51 -2.92 116.94 114.46 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 1.22 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 1aab h PHE 59 CO 0.00 0.65 -0.50 0.93 -0.60 0.00 0.00 178.31 178.79 1aab h GLU 60 N 0.00 0.00 -0.44 1.51 4.39 -1.16 -1.51 114.58 117.37 1aab h GLU 60 Ca -0.04 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1aab h GLU 60 Cb 1.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.16 1aab h GLU 60 CO 0.08 0.50 -0.05 0.22 -1.16 0.00 0.00 179.01 178.60 1aab h ASP 61 N 0.00 0.80 0.11 1.42 1.82 -1.29 0.16 116.42 119.43 1aab h ASP 61 Ca -0.01 -0.33 -0.01 0.00 -0.39 0.00 0.00 57.03 56.30 1aab h ASP 61 Cb 0.90 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1aab h ASP 61 CO 0.07 0.94 -0.05 0.24 -1.61 0.00 0.00 179.24 178.82 1aab h MET 62 N 0.64 -0.14 -0.12 0.28 2.86 -1.42 0.28 114.93 117.29 1aab h MET 62 Ca 0.12 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1aab h MET 62 Cb 0.56 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1aab h MET 62 CO 0.03 0.21 0.12 0.00 1.06 0.00 0.00 176.91 178.33 1aab h ALA 63 N 0.30 1.84 0.03 6.32 0.00 -1.23 0.33 119.26 126.85 1aab h ALA 63 Ca -0.02 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 1aab h ALA 63 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1aab h ALA 63 CO 0.03 -0.18 -1.15 -0.22 0.00 0.00 0.00 179.25 177.73 1aab h LYS 64 N 0.00 0.07 -0.17 0.00 3.64 -0.23 -2.83 116.57 117.05 1aab h LYS 64 Ca 0.06 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1aab h LYS 64 Cb 0.29 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1aab h LYS 64 CO -0.00 1.00 -0.28 0.00 -2.27 0.00 0.00 179.45 177.90 1aab h ALA 65 N 0.89 0.26 -0.84 5.00 0.00 0.15 -3.01 119.26 121.70 1aab h ALA 65 Ca -0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1aab h ALA 65 Cb 1.85 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 1aab h ALA 65 CO 0.14 0.26 0.44 0.22 0.00 0.00 0.00 179.25 180.31 1aab h ASP 66 N 0.12 1.07 -0.95 0.00 1.82 -1.21 -1.58 116.42 115.69 1aab h ASP 66 Ca 0.01 -0.11 0.18 0.00 -0.39 0.00 0.00 57.03 56.73 1aab h ASP 66 Cb 0.86 -0.27 -0.08 0.00 0.68 0.00 0.00 39.33 40.52 1aab h ASP 66 CO 0.06 0.87 0.60 0.50 -1.61 0.00 0.00 179.24 179.67 1aab h LYS 67 N 1.18 0.61 -0.04 0.28 3.64 -1.37 0.24 116.57 121.11 1aab h LYS 67 Ca 0.29 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.47 1aab h LYS 67 Cb 0.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1aab h LYS 67 CO -0.04 0.41 -0.72 0.00 -2.27 0.00 0.00 179.45 176.82 1aab h ALA 68 N 1.61 0.70 0.00 5.00 0.00 -1.21 -1.25 119.26 124.11 1aab h ALA 68 Ca 0.51 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1aab h ALA 68 Cb 0.94 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1aab h ALA 68 CO -0.26 0.80 0.00 0.54 0.00 0.00 0.00 179.25 180.33 1aab n ARG 69 N -3.79 0.21 -0.11 0.00 5.12 0.57 -2.58 116.66 116.08 1aab n ARG 69 Ca -0.03 0.31 -0.23 0.00 -1.93 0.00 0.00 57.85 55.97 1aab n ARG 69 Cb 0.70 -1.81 -0.11 0.00 -1.16 0.00 0.00 32.46 30.08 1aab n ARG 69 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1aab n TYR 70 N -2.19 0.77 0.02 -1.55 4.19 0.25 -4.06 117.16 114.59 1aab n TYR 70 Ca 0.04 0.34 -0.13 0.00 3.31 0.00 0.00 57.90 61.46 1aab n TYR 70 Cb 0.32 -1.06 -0.09 0.00 0.49 0.00 0.00 39.34 39.00 1aab n TYR 70 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1aab h GLU 71 N -1.00 -0.02 -0.94 2.98 4.39 -1.30 -1.03 114.58 117.65 1aab h GLU 71 Ca -0.41 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.46 1aab h GLU 71 Cb 1.34 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.92 1aab h GLU 71 CO -0.25 0.26 0.60 0.00 -1.16 0.00 0.00 179.01 178.46 1aab h ARG 72 N -0.30 0.66 0.00 2.33 2.47 -1.74 -1.67 114.38 116.13 1aab h ARG 72 Ca -0.00 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1aab h ARG 72 Cb 0.29 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1aab h ARG 72 CO 0.00 0.44 -0.77 0.93 0.56 0.00 0.00 179.97 181.13 1aab h GLU 73 N 0.68 0.00 -0.15 0.04 5.08 -1.68 -3.35 114.58 115.20 1aab h GLU 73 Ca 0.50 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.90 1aab h GLU 73 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1aab h GLU 73 CO -0.26 0.00 0.12 0.52 -1.00 0.00 0.00 179.01 178.39 1aab h MET 74 N 0.00 0.00 -0.41 2.33 2.86 -0.18 -0.93 114.93 118.60 1aab h MET 74 Ca -0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1aab h MET 74 Cb 1.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1aab h MET 74 CO 0.00 0.00 -0.22 0.87 1.06 0.00 0.00 176.91 178.62 1aab h LYS 75 N 0.00 0.81 -0.67 1.72 1.57 -1.70 -3.00 116.57 115.31 1aab h LYS 75 Ca 0.07 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1aab h LYS 75 Cb 0.30 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1aab h LYS 75 CO -0.00 0.95 0.00 0.25 -0.57 0.00 0.00 179.45 180.08 1aab n THR 76 N -4.11 1.67 0.00 -0.16 -2.24 -0.65 -4.74 114.28 104.04 1aab n THR 76 Ca 0.00 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 1aab n THR 76 Cb 0.43 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.25 0.00 -2.93 4.78 9.36 -0.45 -5.02 117.16 124.15 1aab n TYR 77 Ca 0.26 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.47 1aab n TYR 77 Cb 0.84 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.54 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 -6.77 -1.00 2.97 -0.00 -1.26 -4.96 119.36 108.35 1aab n ILE 78 Ca 0.00 1.21 -0.29 0.00 -0.00 0.00 0.00 62.75 63.67 1aab n ILE 78 Cb 0.00 -4.73 0.19 0.00 -0.00 0.00 0.00 39.64 35.09 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 -0.99 0.27 0.00 0.38 0.05 -1.26 -5.06 135.00 128.40 1aab s PRO 79 Ca -0.05 0.71 0.00 0.00 0.05 0.00 0.00 61.00 61.71 1aab s PRO 79 Cb 0.00 -1.70 0.00 0.00 0.05 0.00 0.00 34.50 32.85 1aab s PRO 79 CO 0.38 -2.88 0.00 -0.35 0.05 0.00 0.00 177.00 174.19 1aab n PRO 80 N -4.31 1.56 -1.55 0.56 -0.04 -1.26 -4.75 135.00 125.21 1aab n PRO 80 Ca 0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.32 1aab n PRO 80 Cb 0.56 0.00 -0.09 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 0.00 0.52 -0.01 0.54 5.02 -1.26 -4.80 118.16 118.17 1aab n LYS 81 Ca 0.00 -0.55 -0.13 0.00 -2.02 0.00 0.00 58.31 55.61 1aab n LYS 81 Cb 0.00 -3.14 -0.08 0.00 -0.02 0.00 0.00 35.03 31.78 1aab n LYS 81 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1aab h GLY 82 N 19.90 -1.17 0.91 0.72 0.00 -2.02 -3.56 103.07 117.85 1aab h GLY 82 Ca -0.03 0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1aab h GLY 82 CO 1.14 -0.26 0.00 -2.21 0.00 0.00 0.00 176.54 175.21