#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 2.68 0.00 1.61 5.02 -1.26 -4.90 118.16 121.31 1aab n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1aab n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1aab n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aab n GLY 3 N 3.30 0.03 2.66 0.72 0.00 -1.26 -4.66 105.19 105.98 1aab n GLY 3 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.25 -2.57 0.02 1.61 8.00 -1.26 -4.95 116.55 117.15 1aab n ASP 4 Ca 0.00 -2.98 0.01 0.00 0.71 0.00 0.00 54.79 52.53 1aab n ASP 4 Cb 0.00 1.29 0.05 0.00 -0.02 0.00 0.00 41.12 42.44 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 2.31 0.01 0.07 -0.24 -0.02 -1.26 -1.05 135.00 134.81 1aab n PRO 5 Ca 0.16 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 1aab n PRO 5 Cb 0.57 -1.64 0.35 0.00 -0.02 0.00 0.00 33.50 32.76 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 -1.49 0.09 -1.95 -0.52 4.76 -1.26 -4.66 118.16 113.13 1aab n LYS 6 Ca -0.00 0.43 -0.42 0.00 -2.87 0.00 0.00 58.31 55.45 1aab n LYS 6 Cb 0.10 -1.70 -0.03 0.00 -1.84 0.00 0.00 35.03 31.56 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 -3.20 4.20 -0.93 1.97 2.20 -0.22 -4.88 119.74 118.88 1aab s LYS 7 Ca 0.03 2.29 -0.25 0.00 -0.36 0.00 0.00 55.97 57.69 1aab s LYS 7 Cb 0.07 -3.72 -0.08 0.00 -1.51 0.00 0.00 37.83 32.58 1aab s LYS 7 CO 0.23 -0.76 2.06 -1.25 -0.36 0.00 0.00 175.35 175.27 1aab s PRO 8 N 3.06 2.25 -1.08 4.03 0.04 -1.26 -4.86 135.00 137.17 1aab s PRO 8 Ca 0.74 -0.24 -0.22 0.00 0.04 0.00 0.00 61.00 61.32 1aab s PRO 8 Cb -0.38 -5.02 0.03 0.00 0.04 0.00 0.00 34.50 29.17 1aab s PRO 8 CO 0.32 -3.82 1.64 0.50 0.04 0.00 0.00 177.00 175.68 1aab s ARG 9 N 7.44 3.44 0.00 4.56 3.00 -1.26 -4.72 118.95 131.41 1aab s ARG 9 Ca 0.76 -1.21 0.00 0.00 -1.00 0.00 0.00 55.73 54.27 1aab s ARG 9 Cb -0.07 -5.35 0.00 0.00 0.00 0.00 0.00 34.95 29.53 1aab s ARG 9 CO 0.04 -2.55 0.00 0.41 0.00 0.00 0.00 175.30 173.20 1aab n GLY 10 N 6.42 -0.26 3.64 8.12 0.00 -1.26 -5.04 105.19 116.81 1aab n GLY 10 Ca 0.39 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.21 1.24 -3.83 1.61 -0.00 -1.26 -4.99 118.16 109.72 1aab n LYS 11 Ca 0.00 0.46 -0.09 0.00 -0.00 0.00 0.00 58.31 58.68 1aab n LYS 11 Cb 0.00 -2.21 -0.07 0.00 -0.00 0.00 0.00 35.03 32.75 1aab n LYS 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1aab s MET 12 N -2.51 0.96 0.45 -1.58 1.75 -1.26 -5.04 119.30 112.06 1aab s MET 12 Ca 0.70 -0.95 -0.24 0.00 -1.25 0.00 0.00 55.69 53.95 1aab s MET 12 Cb -0.46 0.38 -0.09 0.00 2.84 0.00 0.00 34.83 37.49 1aab s MET 12 CO 0.51 -0.33 1.06 0.43 -0.65 0.00 0.00 175.02 176.04 1aab n SER 13 N -0.13 1.47 0.12 1.11 7.64 -1.26 -4.62 113.62 117.95 1aab n SER 13 Ca -0.14 1.01 0.08 0.00 1.01 0.00 0.00 58.87 60.84 1aab n SER 13 Cb 0.63 -1.39 0.56 0.00 -1.01 0.00 0.00 64.21 63.00 1aab n SER 13 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1aab h SER 14 N 1.50 0.19 -0.00 6.43 4.64 -1.94 0.10 113.55 124.47 1aab h SER 14 Ca -0.46 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1aab h SER 14 Cb 1.33 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1aab h SER 14 CO 0.57 0.13 -0.02 0.22 -0.87 0.00 0.00 176.83 176.86 1aab h TYR 15 N 0.22 0.03 -0.65 4.77 3.20 -1.89 -2.92 116.97 119.72 1aab h TYR 15 Ca 0.10 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.10 1aab h TYR 15 Cb 0.13 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1aab h TYR 15 CO -0.00 0.68 0.44 0.00 -1.64 0.00 0.00 178.16 177.65 1aab h ALA 16 N 0.34 2.25 -0.66 1.82 0.00 -1.69 0.32 119.26 121.64 1aab h ALA 16 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1aab h ALA 16 Cb 0.69 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1aab h ALA 16 CO 0.00 -0.42 0.30 0.74 0.00 0.00 0.00 179.25 179.87 1aab h PHE 17 N 0.26 0.94 0.00 0.00 0.04 -0.67 0.09 116.94 117.60 1aab h PHE 17 Ca 0.31 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.04 1aab h PHE 17 Cb 0.87 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1aab h PHE 17 CO -0.00 0.69 0.00 0.35 -0.60 0.00 0.00 178.31 178.75 1aab h PHE 18 N 0.93 0.00 0.07 -0.55 3.04 -0.24 -2.89 116.94 117.30 1aab h PHE 18 Ca 0.23 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 62.02 1aab h PHE 18 Cb 0.12 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 1aab h PHE 18 CO 0.01 0.00 -0.80 0.28 -2.02 0.00 0.00 178.31 175.78 1aab h VAL 19 N 0.00 1.38 0.00 1.41 2.07 0.01 -1.66 116.25 119.46 1aab h VAL 19 Ca 0.00 -2.39 -0.00 0.00 0.82 0.00 0.00 66.70 65.13 1aab h VAL 19 Cb 0.69 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1aab h VAL 19 CO 0.00 0.62 -0.02 0.06 0.02 0.00 0.00 177.57 178.25 1aab h GLN 20 N -0.64 0.00 0.07 1.57 3.07 -1.17 0.78 115.11 118.79 1aab h GLN 20 Ca -0.17 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.32 1aab h GLN 20 Cb 1.43 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.98 1aab h GLN 20 CO 0.03 0.02 -1.11 1.15 0.09 0.00 0.00 178.83 179.00 1aab h THR 21 N 0.00 1.58 0.00 1.86 2.02 -1.50 -2.91 112.91 113.97 1aab h THR 21 Ca -0.00 -3.16 -0.03 0.00 0.77 0.00 0.00 66.41 64.00 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 0.91 -0.35 0.28 0.37 0.00 0.00 175.52 176.74 1aab h SER 22 N 0.05 0.00 0.08 4.18 0.02 0.42 -3.23 113.55 115.08 1aab h SER 22 Ca -0.08 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.72 1aab h SER 22 Cb 1.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.38 1aab h SER 22 CO 0.17 0.11 -0.56 -0.09 -1.14 0.00 0.00 176.83 175.33 1aab h ARG 23 N 0.00 0.50 -0.63 3.45 2.43 0.44 0.95 114.38 121.52 1aab h ARG 23 Ca -0.01 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1aab h ARG 23 Cb 1.09 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1aab h ARG 23 CO 0.01 0.92 0.00 0.39 -1.51 0.00 0.00 179.97 179.79 1aab n GLU 24 N -3.95 0.93 0.00 0.20 1.02 -1.10 -2.06 120.64 115.67 1aab n GLU 24 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1aab n GLU 24 Cb 0.60 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 1aab n GLU 24 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1aab n GLU 25 N -0.14 3.52 0.03 3.49 2.13 -0.89 -4.83 120.64 123.95 1aab n GLU 25 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 1aab n GLU 25 Cb 0.16 -0.60 -0.14 0.00 0.27 0.00 0.00 31.44 31.13 1aab n GLU 25 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1aab h HIS 26 N 0.00 0.44 0.00 4.31 2.76 -0.56 -3.28 115.15 118.81 1aab h HIS 26 Ca 0.00 -0.32 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 1aab h HIS 26 Cb 0.06 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1aab h HIS 26 CO 0.00 1.54 0.00 0.36 -1.30 0.00 0.00 177.93 178.53 1aab n LYS 27 N -3.42 0.15 0.04 5.26 2.85 -0.88 -1.05 118.16 121.11 1aab n LYS 27 Ca -0.24 0.05 0.13 0.00 -1.05 0.00 0.00 58.31 57.20 1aab n LYS 27 Cb 1.05 -1.50 0.37 0.00 -0.65 0.00 0.00 35.03 34.30 1aab n LYS 27 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1aab n LYS 28 N -1.06 0.14 -2.69 -1.58 4.81 -1.24 -4.29 118.16 112.25 1aab n LYS 28 Ca 0.04 0.07 -0.02 0.00 -0.87 0.00 0.00 58.31 57.53 1aab n LYS 28 Cb 0.02 -1.62 0.12 0.00 0.02 0.00 0.00 35.03 33.57 1aab n LYS 28 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1aab n LYS 29 N -1.84 1.39 -3.11 1.64 2.85 -0.21 -5.01 118.16 113.87 1aab n LYS 29 Ca 0.05 -1.48 -0.19 0.00 -1.05 0.00 0.00 58.31 55.64 1aab n LYS 29 Cb 0.39 0.19 -0.03 0.00 -0.65 0.00 0.00 35.03 34.93 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 -1.40 -0.68 0.06 5.58 8.25 -1.02 -4.96 115.22 121.04 1aab n HIS 30 Ca -0.15 -3.35 -0.10 0.00 -0.26 0.00 0.00 57.72 53.87 1aab n HIS 30 Cb 0.87 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 32.00 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 3.55 0.38 0.02 -0.41 0.13 -1.89 -3.23 132.00 130.56 1aab h PRO 31 Ca 0.04 -0.32 -0.21 0.00 -0.87 0.00 0.00 66.00 64.65 1aab h PRO 31 Cb 0.95 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1aab h PRO 31 CO 0.43 0.96 -0.96 -0.44 -0.23 0.00 0.00 178.00 177.76 1aab h ASP 32 N 0.25 0.23 -0.74 1.44 3.32 -2.01 -3.26 116.42 115.65 1aab h ASP 32 Ca -0.03 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 1aab h ASP 32 Cb 1.31 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 1aab h ASP 32 CO 0.12 1.06 0.31 0.00 -1.72 0.00 0.00 179.24 179.01 1aab h ALA 33 N 0.92 1.11 0.00 3.45 0.00 -1.97 -3.45 119.26 119.33 1aab h ALA 33 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1aab h ALA 33 Cb 1.63 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1aab h ALA 33 CO 0.14 0.64 0.00 0.43 0.00 0.00 0.00 179.25 180.46 1aab n SER 34 N -4.29 -0.01 -3.12 0.00 7.64 -1.22 -3.89 113.62 108.73 1aab n SER 34 Ca 0.07 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 1aab n SER 34 Cb 0.18 -2.38 0.01 0.00 -1.01 0.00 0.00 64.21 61.01 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 -1.85 -6.12 1.01 0.44 0.31 -1.26 -4.84 118.33 106.02 1aab n VAL 35 Ca 0.00 0.75 0.03 0.00 -0.01 0.00 0.00 64.34 65.12 1aab n VAL 35 Cb 0.00 -4.67 0.11 0.00 -0.91 0.00 0.00 33.84 28.37 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 0.54 1.61 -0.94 4.52 3.02 -1.25 -4.84 115.26 117.91 1aab n ASN 36 Ca -0.00 -2.08 -0.08 0.00 -0.03 0.00 0.00 54.58 52.38 1aab n ASN 36 Cb 0.43 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.20 -0.34 -0.83 3.10 3.72 -1.26 -4.50 117.46 117.55 1aab n PHE 37 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1aab n PHE 37 Cb 0.30 -2.02 0.00 0.00 -0.94 0.00 0.00 39.48 36.82 1aab n PHE 37 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1aab n SER 38 N 0.08 0.23 0.00 4.37 2.88 -1.26 -4.70 113.62 115.22 1aab n SER 38 Ca -0.08 -1.06 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 1aab n SER 38 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1aab n GLU 39 N -0.03 3.16 -0.06 -1.46 -0.58 -1.26 -4.84 120.64 115.56 1aab n GLU 39 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 1aab n GLU 39 Cb 0.29 -0.44 -0.05 0.00 -0.57 0.00 0.00 31.44 30.67 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 -0.08 -0.32 3.57 -1.90 -3.28 116.94 114.92 1aab h PHE 40 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1aab h PHE 40 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1aab h PHE 40 CO 0.00 0.46 0.37 0.66 -2.23 0.00 0.00 178.31 177.57 1aab h SER 41 N -1.00 0.00 -0.50 0.41 4.64 -1.91 0.45 113.55 115.64 1aab h SER 41 Ca -0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1aab h SER 41 Cb 0.49 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1aab h SER 41 CO -0.02 0.00 0.19 0.50 -0.87 0.00 0.00 176.83 176.63 1aab h LYS 42 N 0.00 0.82 0.02 4.77 3.64 -1.88 0.11 116.57 124.04 1aab h LYS 42 Ca 0.04 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1aab h LYS 42 Cb 0.78 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1aab h LYS 42 CO -0.00 0.69 -0.01 0.87 -2.27 0.00 0.00 179.45 178.73 1aab h LYS 43 N 0.80 -0.03 -0.68 1.90 1.57 -0.24 -2.92 116.57 116.97 1aab h LYS 43 Ca 0.19 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 1aab h LYS 43 Cb 0.21 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1aab h LYS 43 CO -0.01 0.72 0.45 0.00 -0.57 0.00 0.00 179.45 180.04 1aab h SER 45 N 0.55 0.38 0.08 0.00 0.87 -0.83 0.40 113.55 115.01 1aab h SER 45 Ca 0.31 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1aab h SER 45 Cb 0.49 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1aab h SER 45 CO -0.10 0.43 0.00 1.21 -0.53 0.00 0.00 176.83 177.84 1aab n GLU 46 N -4.76 0.51 -0.00 2.24 2.13 -0.27 -1.04 120.64 119.44 1aab n GLU 46 Ca -0.02 0.03 0.05 0.00 0.66 0.00 0.00 57.16 57.88 1aab n GLU 46 Cb 0.12 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.27 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 -1.07 2.70 -0.08 5.31 0.63 0.08 -4.45 116.66 119.77 1aab n ARG 47 Ca 0.13 -0.02 -0.13 0.00 -0.92 0.00 0.00 57.85 56.91 1aab n ARG 47 Cb 0.08 -1.07 -0.04 0.00 0.45 0.00 0.00 32.46 31.88 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 -1.41 0.00 0.30 -0.14 -0.00 0.12 -4.30 117.44 112.01 1aab n TRP 48 Ca 0.01 0.00 0.15 0.00 -0.00 0.00 0.00 57.50 57.66 1aab n TRP 48 Cb 0.20 -0.54 0.76 0.00 -0.00 0.00 0.00 31.31 31.72 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 -0.86 0.00 0.09 5.87 1.57 -1.32 0.12 116.57 122.04 1aab h LYS 49 Ca -0.17 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.36 1aab h LYS 49 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1aab h LYS 49 CO -0.10 0.00 -1.17 0.00 -0.57 0.00 0.00 179.45 177.61 1aab h THR 50 N 0.00 1.57 -2.85 -0.16 1.03 -1.78 -3.46 112.91 107.25 1aab h THR 50 Ca 0.03 -3.18 -0.36 0.00 -0.01 0.00 0.00 66.41 62.90 1aab h THR 50 Cb 0.81 2.92 0.21 0.00 -1.07 0.00 0.00 68.15 71.02 1aab h THR 50 CO -0.00 0.92 -0.17 0.23 -0.01 0.00 0.00 175.52 176.49 1aab n MET 51 N -3.48 -4.55 -3.84 0.00 2.81 0.03 -5.00 117.12 103.10 1aab n MET 51 Ca -0.06 -1.35 -0.32 0.00 -1.81 0.00 0.00 57.70 54.16 1aab n MET 51 Cb 1.00 -1.89 -0.05 0.00 -0.71 0.00 0.00 33.22 31.57 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 -2.94 6.41 0.61 7.83 0.01 -1.26 -4.93 113.70 119.43 1aab s SER 52 Ca 0.64 0.41 0.25 0.00 1.31 0.00 0.00 55.95 58.57 1aab s SER 52 Cb -0.12 -2.02 1.14 0.00 0.21 0.00 0.00 66.02 65.23 1aab s SER 52 CO 0.55 0.19 1.59 0.00 0.41 0.00 0.00 173.24 175.97 1aab h ALA 53 N 3.40 2.35 0.24 1.44 0.00 -1.95 0.35 119.26 125.09 1aab h ALA 53 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1aab h ALA 53 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1aab h ALA 53 CO 0.72 -1.09 -0.12 0.87 0.00 0.00 0.00 179.25 179.63 1aab h LYS 54 N 0.00 -0.32 -0.34 0.00 1.57 -1.97 0.63 116.57 116.15 1aab h LYS 54 Ca 0.27 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1aab h LYS 54 Cb 1.86 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 34.23 1aab h LYS 54 CO -0.00 -0.02 0.04 0.93 -0.57 0.00 0.00 179.45 179.83 1aab h GLU 55 N -0.61 0.56 0.00 3.15 5.08 -0.76 0.50 114.58 122.51 1aab h GLU 55 Ca -0.03 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1aab h GLU 55 Cb 0.44 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1aab h GLU 55 CO 0.06 0.66 0.00 1.63 -1.00 0.00 0.00 179.01 180.35 1aab n LYS 56 N -4.58 0.15 0.04 2.33 5.02 -0.35 -1.67 118.16 119.10 1aab n LYS 56 Ca -0.02 0.19 -0.17 0.00 -2.02 0.00 0.00 58.31 56.29 1aab n LYS 56 Cb 0.23 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.67 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 2.24 0.69 2.00 0.72 0.00 0.26 -0.20 103.07 108.78 1aab h GLY 57 Ca 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 47.33 46.11 1aab h GLY 57 CO 0.00 1.01 -0.33 1.70 0.00 0.00 0.00 176.54 178.92 1aab h LYS 58 N 0.37 0.00 0.00 4.80 3.11 -1.12 -1.32 116.57 122.41 1aab h LYS 58 Ca -0.09 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.53 1aab h LYS 58 Cb 1.58 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.78 1aab h LYS 58 CO 0.18 0.33 -1.07 0.74 -2.81 0.00 0.00 179.45 176.82 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.43 -2.71 116.94 114.75 1aab h PHE 59 Ca -0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 1aab h PHE 59 Cb 0.98 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 1aab h PHE 59 CO 0.00 1.00 -0.44 0.93 -0.60 0.00 0.00 178.31 179.20 1aab h GLU 60 N 0.00 0.00 0.00 1.51 4.39 -0.73 -2.21 114.58 117.54 1aab h GLU 60 Ca -0.04 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 1aab h GLU 60 Cb 1.79 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.43 1aab h GLU 60 CO 0.12 0.44 -0.58 0.22 -1.16 0.00 0.00 179.01 178.06 1aab h ASP 61 N 0.00 0.00 0.02 1.42 1.82 -0.97 -1.95 116.42 116.77 1aab h ASP 61 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1aab h ASP 61 Cb 0.97 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.98 1aab h ASP 61 CO 0.06 0.58 -0.01 0.24 -1.61 0.00 0.00 179.24 178.49 1aab h MET 62 N 0.00 -0.03 -0.02 0.28 2.86 -1.11 0.31 114.93 117.22 1aab h MET 62 Ca -0.01 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1aab h MET 62 Cb 1.07 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 1aab h MET 62 CO 0.07 0.62 0.03 0.00 1.06 0.00 0.00 176.91 178.70 1aab h ALA 63 N 0.19 1.39 0.18 6.32 0.00 -1.44 0.18 119.26 126.09 1aab h ALA 63 Ca -0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1aab h ALA 63 Cb 0.67 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1aab h ALA 63 CO 0.01 -0.04 -1.64 -0.22 0.00 0.00 0.00 179.25 177.36 1aab h LYS 64 N 0.00 0.39 -0.05 0.00 3.64 -1.17 -2.64 116.57 116.74 1aab h LYS 64 Ca 0.01 -0.67 -0.11 0.00 -1.27 0.00 0.00 60.65 58.61 1aab h LYS 64 Cb 0.07 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1aab h LYS 64 CO -0.00 1.30 -0.48 0.00 -2.27 0.00 0.00 179.45 177.99 1aab h ALA 65 N 0.22 1.09 -0.10 5.00 0.00 0.76 -2.29 119.26 123.95 1aab h ALA 65 Ca -0.30 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 53.98 1aab h ALA 65 Cb 2.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1aab h ALA 65 CO 0.20 0.63 -0.68 0.22 0.00 0.00 0.00 179.25 179.62 1aab h ASP 66 N 0.11 0.49 -0.91 0.00 1.82 -0.77 -2.77 116.42 114.38 1aab h ASP 66 Ca 0.00 -0.30 0.19 0.00 -0.39 0.00 0.00 57.03 56.53 1aab h ASP 66 Cb 0.90 -0.14 -0.07 0.00 0.68 0.00 0.00 39.33 40.69 1aab h ASP 66 CO 0.07 1.03 0.59 0.50 -1.61 0.00 0.00 179.24 179.82 1aab h LYS 67 N 0.29 0.49 -0.14 0.28 3.64 -1.02 0.76 116.57 120.87 1aab h LYS 67 Ca -0.02 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 1aab h LYS 67 Cb 1.24 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1aab h LYS 67 CO 0.12 0.33 -0.67 0.00 -2.27 0.00 0.00 179.45 176.95 1aab h ALA 68 N 1.61 0.55 0.00 5.00 0.00 -1.41 -2.34 119.26 122.67 1aab h ALA 68 Ca 0.48 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1aab h ALA 68 Cb 1.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1aab h ALA 68 CO -0.21 0.72 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1aab h ARG 69 N 0.41 0.00 0.06 0.00 2.47 0.01 -0.91 114.38 116.42 1aab h ARG 69 Ca -0.02 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.44 1aab h ARG 69 Cb 1.25 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.55 1aab h ARG 69 CO 0.13 0.00 -1.27 -0.92 0.56 0.00 0.00 179.97 178.46 1aab h TYR 70 N 0.00 0.23 0.00 3.04 5.03 0.56 -3.30 116.97 122.53 1aab h TYR 70 Ca 0.00 -0.17 -0.05 0.00 2.58 0.00 0.00 58.73 61.10 1aab h TYR 70 Cb 0.64 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1aab h TYR 70 CO 0.00 1.16 -0.50 0.93 -1.32 0.00 0.00 178.16 178.43 1aab h GLU 71 N 0.03 0.00 0.00 1.82 5.08 -1.25 -3.34 114.58 116.92 1aab h GLU 71 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1aab h GLU 71 Cb 1.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1aab h GLU 71 CO 0.15 0.28 0.13 0.54 -1.00 0.00 0.00 179.01 179.11 1aab n ARG 72 N -4.62 0.00 -0.05 2.33 5.12 -0.36 -0.78 116.66 118.30 1aab n ARG 72 Ca -0.11 0.24 -0.02 0.00 -1.93 0.00 0.00 57.85 56.03 1aab n ARG 72 Cb 0.30 -1.63 -0.15 0.00 -1.16 0.00 0.00 32.46 29.82 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 -1.20 0.67 0.00 5.56 -0.58 -1.24 -4.26 120.64 119.59 1aab n GLU 73 Ca 0.00 -0.02 0.01 0.00 -0.42 0.00 0.00 57.16 56.72 1aab n GLU 73 Cb 0.13 -1.57 0.04 0.00 -0.57 0.00 0.00 31.44 29.47 1aab n GLU 73 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1aab n MET 74 N -2.63 0.13 0.00 3.49 2.81 0.04 -2.91 117.12 118.04 1aab n MET 74 Ca -0.20 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 1aab n MET 74 Cb 0.93 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 32.28 1aab n MET 74 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1aab n LYS 75 N -0.67 0.58 -0.17 0.03 2.85 -1.26 -2.13 118.16 117.40 1aab n LYS 75 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1aab n LYS 75 Cb 0.00 -1.02 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 1aab n LYS 75 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1aab n THR 76 N -0.46 0.00 -3.15 0.58 5.66 -1.15 -5.04 114.28 110.73 1aab n THR 76 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 1aab n THR 76 Cb 0.01 0.48 -0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1aab n THR 76 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1aab s TYR 77 N 0.00 -0.95 -0.04 1.09 5.04 -0.91 -5.05 117.35 116.53 1aab s TYR 77 Ca 0.00 0.63 0.12 0.00 -2.44 0.00 0.00 57.07 55.38 1aab s TYR 77 Cb 0.00 0.19 -0.19 0.00 0.35 0.00 0.00 41.96 42.32 1aab s TYR 77 CO 0.00 -0.55 0.22 -0.89 -1.34 0.00 0.00 175.55 172.99 1aab n ILE 78 N 5.27 0.20 -1.55 3.14 -0.00 -1.26 -4.58 119.36 120.58 1aab n ILE 78 Ca 0.05 -0.35 -0.51 0.00 -0.00 0.00 0.00 62.75 61.94 1aab n ILE 78 Cb 0.56 -0.02 -0.07 0.00 -0.00 0.00 0.00 39.64 40.12 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 -2.07 1.33 0.00 0.38 -0.02 -1.26 -4.94 135.00 128.42 1aab n PRO 79 Ca -0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1aab n PRO 79 Cb 0.47 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 7.40 1.07 -2.03 0.52 -0.04 -1.26 -4.74 135.00 135.92 1aab n PRO 80 Ca 0.35 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.54 1aab n PRO 80 Cb 0.23 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.62 1aab n PRO 80 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1aab s LYS 81 N 0.00 2.38 -0.08 0.54 1.02 -1.26 -4.69 119.74 117.65 1aab s LYS 81 Ca 0.00 -1.09 -0.09 0.00 0.02 0.00 0.00 55.97 54.81 1aab s LYS 81 Cb 0.00 -5.22 -0.07 0.00 -0.52 0.00 0.00 37.83 32.02 1aab s LYS 81 CO 0.00 -4.10 0.33 0.78 -0.92 0.00 0.00 175.35 171.44 1aab h GLY 82 N 18.14 -0.16 1.00 -3.33 0.00 -2.00 -3.54 103.07 113.18 1aab h GLY 82 Ca 0.20 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1aab h GLY 82 CO 1.21 -0.06 0.00 1.18 0.00 0.00 0.00 176.54 178.87