#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 3.36 -2.18 1.61 4.81 -1.26 -5.09 118.16 119.42 1aab n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1aab n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1aab n LYS 2 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aab n GLY 3 N 3.97 -0.51 3.60 3.14 0.00 -1.26 -5.08 105.19 109.05 1aab n GLY 3 Ca 0.00 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 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 -5.68 -4.58 1.61 9.92 -1.26 -4.84 116.55 111.72 1aab n ASP 4 Ca 0.00 -0.79 -0.42 0.00 -0.53 0.00 0.00 54.79 53.05 1aab n ASP 4 Cb 0.00 -3.08 -0.03 0.00 -0.64 0.00 0.00 41.12 37.37 1aab n ASP 4 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1aab s PRO 5 N -4.97 3.26 -0.37 -0.24 0.04 -1.26 -3.52 135.00 127.95 1aab s PRO 5 Ca 0.18 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1aab s PRO 5 Cb -0.07 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1aab s PRO 5 CO 0.86 -1.95 0.00 1.63 0.04 0.00 0.00 177.00 177.57 1aab n LYS 6 N 8.53 -1.79 -1.72 4.56 5.02 -1.26 -4.87 118.16 126.62 1aab n LYS 6 Ca 0.18 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.46 1aab n LYS 6 Cb 0.49 -4.24 -0.01 0.00 -0.02 0.00 0.00 35.03 31.24 1aab n LYS 6 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1aab n LYS 7 N -0.10 2.36 -0.71 1.97 4.81 -1.23 -4.94 118.16 120.31 1aab n LYS 7 Ca -0.04 0.83 -0.33 0.00 -0.87 0.00 0.00 58.31 57.91 1aab n LYS 7 Cb 0.32 -2.50 0.16 0.00 0.02 0.00 0.00 35.03 33.03 1aab n LYS 7 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1aab n PRO 8 N 1.07 -1.24 0.00 1.64 -0.02 -1.26 -4.74 135.00 130.46 1aab n PRO 8 Ca 0.06 -0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 1aab n PRO 8 Cb 0.36 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.79 0.00 -1.70 -0.52 1.85 -1.26 -4.86 116.66 108.37 1aab n ARG 9 Ca 0.02 0.32 -0.01 0.00 -1.00 0.00 0.00 57.85 57.18 1aab n ARG 9 Cb 0.61 -1.52 -0.01 0.00 -1.05 0.00 0.00 32.46 30.49 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 -1.31 -3.81 3.51 2.89 0.00 -1.26 -4.71 105.19 100.50 1aab n GLY 10 Ca 0.00 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 0.61 0.55 -0.68 1.61 2.85 -1.26 -4.87 118.16 116.96 1aab n LYS 11 Ca -0.09 0.03 -0.32 0.00 -1.05 0.00 0.00 58.31 56.89 1aab n LYS 11 Cb 0.14 -2.41 0.17 0.00 -0.65 0.00 0.00 35.03 32.28 1aab n LYS 11 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1aab n MET 12 N 8.65 -1.03 -2.36 -1.58 2.81 -1.26 -4.91 117.12 117.44 1aab n MET 12 Ca 0.51 -0.26 -0.25 0.00 -1.81 0.00 0.00 57.70 55.89 1aab n MET 12 Cb 0.26 -1.99 0.11 0.00 -0.71 0.00 0.00 33.22 30.89 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 -2.18 4.29 0.31 7.83 0.01 -1.26 -4.74 113.70 117.96 1aab s SER 13 Ca 0.61 -0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.90 1aab s SER 13 Cb -0.20 -0.42 0.52 0.00 0.21 0.00 0.00 66.02 66.13 1aab s SER 13 CO 0.65 -1.91 1.81 0.77 0.41 0.00 0.00 173.24 174.96 1aab h SER 14 N -0.72 0.48 0.00 2.44 4.64 -1.91 -1.65 113.55 116.83 1aab h SER 14 Ca -0.40 -0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 60.67 1aab h SER 14 Cb 1.27 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1aab h SER 14 CO 0.46 0.63 -0.47 0.22 -0.87 0.00 0.00 176.83 176.80 1aab h TYR 15 N 0.46 0.47 -0.41 4.77 3.20 -1.94 -3.10 116.97 120.43 1aab h TYR 15 Ca 0.09 -0.26 0.12 0.00 3.14 0.00 0.00 58.73 61.82 1aab h TYR 15 Cb 0.48 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1aab h TYR 15 CO 0.02 1.07 0.31 0.00 -1.64 0.00 0.00 178.16 177.92 1aab h ALA 16 N 0.29 2.35 -0.15 1.82 0.00 -1.88 0.22 119.26 121.91 1aab h ALA 16 Ca -0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1aab h ALA 16 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1aab h ALA 16 CO 0.09 -0.52 -0.44 0.74 0.00 0.00 0.00 179.25 179.12 1aab h PHE 17 N 0.00 0.43 0.00 0.00 0.04 -1.23 -1.86 116.94 114.32 1aab h PHE 17 Ca 0.20 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1aab h PHE 17 Cb 0.82 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.88 1aab h PHE 17 CO 0.00 0.75 0.00 0.35 -0.60 0.00 0.00 178.31 178.81 1aab h PHE 18 N 0.30 0.00 0.04 -0.55 3.04 -0.58 -2.91 116.94 116.27 1aab h PHE 18 Ca 0.02 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.92 1aab h PHE 18 Cb 0.90 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.42 1aab h PHE 18 CO 0.02 0.00 -0.24 0.28 -2.02 0.00 0.00 178.31 176.36 1aab h VAL 19 N 0.00 1.71 0.00 1.41 2.07 -0.49 0.13 116.25 121.08 1aab h VAL 19 Ca 0.00 -2.38 -0.00 0.00 0.82 0.00 0.00 66.70 65.14 1aab h VAL 19 Cb 0.74 3.31 -0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1aab h VAL 19 CO 0.00 0.63 -0.01 0.06 0.02 0.00 0.00 177.57 178.27 1aab h GLN 20 N -0.80 0.00 0.22 1.57 3.07 -1.39 0.97 115.11 118.75 1aab h GLN 20 Ca -0.04 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.36 1aab h GLN 20 Cb 1.18 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.76 1aab h GLN 20 CO 0.04 0.01 -1.59 1.15 0.09 0.00 0.00 178.83 178.53 1aab h THR 21 N 0.00 1.14 0.00 1.86 2.02 -1.44 -2.88 112.91 113.61 1aab h THR 21 Ca -0.00 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.54 1aab h THR 21 Cb 0.06 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1aab h THR 21 CO 0.00 0.83 0.00 0.28 0.37 0.00 0.00 175.52 177.01 1aab h SER 22 N 0.13 0.00 0.19 4.18 0.02 0.10 -3.16 113.55 115.01 1aab h SER 22 Ca -0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1aab h SER 22 Cb 2.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.68 1aab h SER 22 CO 0.23 0.00 -0.09 -0.09 -1.14 0.00 0.00 176.83 175.74 1aab h ARG 23 N 0.00 -0.24 -0.32 3.45 2.43 0.87 -0.55 114.38 120.00 1aab h ARG 23 Ca 0.00 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1aab h ARG 23 Cb 0.77 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1aab h ARG 23 CO 0.00 0.11 0.23 0.93 -1.51 0.00 0.00 179.97 179.73 1aab h GLU 24 N -0.95 0.02 0.00 0.20 4.39 -1.58 0.25 114.58 116.90 1aab h GLU 24 Ca -0.03 -0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 1aab h GLU 24 Cb 0.46 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1aab h GLU 24 CO 0.04 0.01 -0.69 0.93 -1.16 0.00 0.00 179.01 178.14 1aab h GLU 25 N 0.02 0.00 0.07 2.33 5.08 -1.54 -3.25 114.58 117.29 1aab h GLU 25 Ca 0.15 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.27 1aab h GLU 25 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1aab h GLU 25 CO -0.00 0.69 -1.14 1.25 -1.00 0.00 0.00 179.01 178.81 1aab h HIS 26 N 0.00 0.25 0.00 4.33 -0.00 0.10 -3.20 115.15 116.64 1aab h HIS 26 Ca -0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 1aab h HIS 26 Cb 1.51 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.91 1aab h HIS 26 CO 0.00 1.15 0.24 -0.22 -0.00 0.00 0.00 177.93 179.10 1aab h LYS 27 N 0.04 0.00 0.00 5.26 3.11 -0.80 0.24 116.57 124.41 1aab h LYS 27 Ca -0.08 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.57 1aab h LYS 27 Cb 1.88 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 33.08 1aab h LYS 27 CO 0.17 0.00 -1.07 0.87 -2.81 0.00 0.00 179.45 176.61 1aab h LYS 28 N 0.00 0.00 -0.30 1.90 1.79 -1.71 -3.35 116.57 114.91 1aab h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1aab h LYS 28 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1aab h LYS 28 CO 0.00 0.89 0.00 1.17 -1.08 0.00 0.00 179.45 180.43 1aab n LYS 29 N -4.47 1.72 -3.01 3.15 4.81 -0.84 -4.30 118.16 115.23 1aab n LYS 29 Ca -0.28 -1.12 -0.15 0.00 -0.87 0.00 0.00 58.31 55.90 1aab n LYS 29 Cb 0.62 -1.26 0.01 0.00 0.02 0.00 0.00 35.03 34.42 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 0.40 -1.07 0.26 5.64 8.25 0.77 -4.95 115.22 124.51 1aab n HIS 30 Ca 0.11 -3.13 0.13 0.00 -0.26 0.00 0.00 57.72 54.58 1aab n HIS 30 Cb 0.27 0.39 0.65 0.00 1.12 0.00 0.00 29.99 32.42 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 3.11 0.00 0.00 -0.41 0.13 -1.75 -2.85 132.00 130.23 1aab h PRO 31 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1aab h PRO 31 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1aab h PRO 31 CO 0.36 0.13 -0.70 -3.47 -0.23 0.00 0.00 178.00 174.09 1aab n ASP 32 N -3.39 0.61 -0.01 1.44 2.03 -1.26 -4.15 116.55 111.82 1aab n ASP 32 Ca -0.01 -0.21 -0.09 0.00 0.52 0.00 0.00 54.79 55.00 1aab n ASP 32 Cb 0.31 0.43 0.06 0.00 -0.72 0.00 0.00 41.12 41.20 1aab n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1aab h ALA 33 N 2.77 0.71 0.00 -1.67 0.00 -1.91 -3.45 119.26 115.71 1aab h ALA 33 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1aab h ALA 33 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1aab h ALA 33 CO 0.00 0.68 0.00 0.43 0.00 0.00 0.00 179.25 180.36 1aab n SER 34 N -3.98 0.00 -3.07 0.00 7.64 -1.26 -4.15 113.62 108.80 1aab n SER 34 Ca -0.03 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.79 1aab n SER 34 Cb 0.59 -1.67 0.01 0.00 -1.01 0.00 0.00 64.21 62.13 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 -5.93 1.46 0.44 0.31 -1.26 -4.83 118.33 106.52 1aab n VAL 35 Ca 0.00 0.87 0.02 0.00 -0.01 0.00 0.00 64.34 65.22 1aab n VAL 35 Cb 0.00 -4.57 0.06 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 0.78 0.85 -3.82 4.52 3.02 -1.26 -4.86 115.26 114.50 1aab n ASN 36 Ca -0.00 -2.02 -0.30 0.00 -0.03 0.00 0.00 54.58 52.23 1aab n ASN 36 Cb 0.38 -0.15 -0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 -0.08 -1.92 -1.65 3.10 3.72 -1.26 -4.65 117.46 114.72 1aab n PHE 37 Ca 0.04 0.71 0.00 0.00 -0.05 0.00 0.00 57.45 58.15 1aab n PHE 37 Cb 0.15 -3.23 0.00 0.00 -0.94 0.00 0.00 39.48 35.46 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 -2.56 0.00 0.00 4.37 7.64 -1.26 -4.87 113.62 116.93 1aab n SER 38 Ca 0.04 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.92 1aab n SER 38 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 1.83 -0.06 1.43 1.02 -1.26 -4.92 120.64 118.68 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 0.42 -0.19 -0.07 0.00 -0.02 0.00 0.00 31.44 31.59 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 -0.84 -0.32 3.57 -1.92 -3.31 116.94 114.12 1aab h PHE 40 Ca 0.00 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.70 1aab h PHE 40 Cb 0.00 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1aab h PHE 40 CO 0.00 0.54 0.57 0.77 -2.23 0.00 0.00 178.31 177.96 1aab h SER 41 N -1.00 0.27 0.10 0.41 0.02 -1.93 0.97 113.55 112.40 1aab h SER 41 Ca -0.02 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1aab h SER 41 Cb 0.55 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1aab h SER 41 CO -0.01 0.11 -0.03 0.11 -1.14 0.00 0.00 176.83 175.87 1aab h LYS 42 N 0.27 0.00 0.00 3.45 1.79 -1.92 0.19 116.57 120.35 1aab h LYS 42 Ca 0.42 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.85 1aab h LYS 42 Cb 1.24 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 1aab h LYS 42 CO -0.11 0.03 -0.24 -0.22 -1.08 0.00 0.00 179.45 177.83 1aab h LYS 43 N 0.00 0.00 -0.62 3.15 1.63 0.85 -3.12 116.57 118.46 1aab h LYS 43 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1aab h LYS 43 Cb 0.09 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1aab h LYS 43 CO 0.00 0.79 0.31 0.00 -3.45 0.00 0.00 179.45 177.10 1aab h SER 45 N 0.87 -0.06 0.13 0.00 4.64 -0.77 0.22 113.55 118.57 1aab h SER 45 Ca 0.22 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1aab h SER 45 Cb 0.07 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1aab h SER 45 CO -0.03 -0.03 0.00 -0.08 -0.87 0.00 0.00 176.83 175.82 1aab h GLU 46 N -0.04 0.00 0.00 4.77 4.81 -1.40 0.11 114.58 122.83 1aab h GLU 46 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 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 0.00 -0.97 -2.13 -0.73 0.00 0.00 179.01 175.16 1aab n ARG 47 N -2.84 0.16 -0.08 1.92 0.63 -0.14 -4.31 116.66 111.99 1aab n ARG 47 Ca -0.02 -0.01 -0.11 0.00 -0.92 0.00 0.00 57.85 56.79 1aab n ARG 47 Cb 0.09 -1.54 -0.04 0.00 0.45 0.00 0.00 32.46 31.43 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 -1.73 0.00 0.10 -0.14 -0.00 0.58 -4.46 117.44 111.79 1aab n TRP 48 Ca 0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.56 1aab n TRP 48 Cb 0.39 -0.50 0.17 0.00 -0.00 0.00 0.00 31.31 31.37 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 0.04 0.12 5.87 5.02 0.15 -0.33 118.16 124.74 1aab n LYS 49 Ca -0.18 0.42 -0.23 0.00 -2.02 0.00 0.00 58.31 56.31 1aab n LYS 49 Cb 0.51 -2.01 -0.15 0.00 -0.02 0.00 0.00 35.03 33.36 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 1.23 -2.69 -0.18 1.03 -1.77 -3.47 112.91 107.07 1aab h THR 50 Ca 0.00 -2.72 -0.40 0.00 -0.01 0.00 0.00 66.41 63.28 1aab h THR 50 Cb 0.73 2.96 0.21 0.00 -1.07 0.00 0.00 68.15 70.98 1aab h THR 50 CO 0.00 0.83 -0.43 0.23 -0.01 0.00 0.00 175.52 176.14 1aab n MET 51 N -3.65 -2.71 0.00 0.00 2.81 0.55 -5.02 117.12 109.10 1aab n MET 51 Ca -0.17 -0.78 0.00 0.00 -1.81 0.00 0.00 57.70 54.94 1aab n MET 51 Cb 1.09 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 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 -3.71 0.00 0.00 7.83 2.88 -1.26 -4.99 113.62 114.37 1aab n SER 52 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1aab n SER 52 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 -2.87 0.00 -0.04 -1.46 0.00 -1.26 -4.79 120.51 110.09 1aab n ALA 53 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1aab n ALA 53 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1aab n ALA 53 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1aab h LYS 54 N 0.00 0.41 -0.08 0.00 1.63 -1.96 1.05 116.57 117.61 1aab h LYS 54 Ca 0.00 -0.29 -0.10 0.00 -0.85 0.00 0.00 60.65 59.41 1aab h LYS 54 Cb 0.00 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1aab h LYS 54 CO 0.00 0.91 -0.32 0.93 -3.45 0.00 0.00 179.45 177.52 1aab h GLU 55 N -0.02 0.37 0.00 1.90 5.08 -1.97 -2.32 114.58 117.61 1aab h GLU 55 Ca -0.01 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1aab h GLU 55 Cb 0.93 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1aab h GLU 55 CO 0.07 0.91 0.00 0.87 -1.00 0.00 0.00 179.01 179.86 1aab h LYS 56 N -0.10 0.00 0.10 2.33 1.57 -1.86 -2.99 116.57 115.62 1aab h LYS 56 Ca -0.02 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1aab h LYS 56 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1aab h LYS 56 CO 0.07 0.00 -0.18 0.78 -0.57 0.00 0.00 179.45 179.55 1aab h GLY 57 N 1.76 -0.32 2.00 3.86 0.00 0.18 1.07 103.07 111.61 1aab h GLY 57 Ca 0.00 0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 1aab h GLY 57 CO 0.00 -0.17 -0.36 0.07 0.00 0.00 0.00 176.54 176.08 1aab h LYS 58 N -0.34 0.00 0.00 4.80 2.10 -1.48 0.74 116.57 122.38 1aab h LYS 58 Ca 0.02 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.62 1aab h LYS 58 Cb 0.36 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 1aab h LYS 58 CO -0.09 0.36 -0.27 0.74 -2.00 0.00 0.00 179.45 178.18 1aab h PHE 59 N 0.00 0.00 0.00 0.07 0.04 -1.39 -2.29 116.94 113.37 1aab h PHE 59 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1aab h PHE 59 Cb 0.69 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1aab h PHE 59 CO 0.00 0.27 -0.94 1.49 -0.60 0.00 0.00 178.31 178.53 1aab h GLU 60 N 0.00 0.00 0.00 1.51 4.57 0.22 -2.95 114.58 117.93 1aab h GLU 60 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1aab h GLU 60 Cb 1.11 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1aab h GLU 60 CO 0.04 0.11 -0.11 0.22 -1.18 0.00 0.00 179.01 178.08 1aab h ASP 61 N 0.00 0.00 0.06 1.04 3.58 0.80 -2.53 116.42 119.37 1aab h ASP 61 Ca -0.04 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.29 1aab h ASP 61 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1aab h ASP 61 CO 0.02 0.11 -0.55 0.24 -2.88 0.00 0.00 179.24 176.18 1aab h MET 62 N 0.00 0.12 -0.02 0.28 2.86 -1.43 -2.39 114.93 114.35 1aab h MET 62 Ca -0.00 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1aab h MET 62 Cb 1.07 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1aab h MET 62 CO 0.01 1.10 0.02 0.00 1.06 0.00 0.00 176.91 179.11 1aab h ALA 63 N -0.03 1.61 -0.03 6.32 0.00 -1.54 0.29 119.26 125.88 1aab h ALA 63 Ca -0.12 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 1aab h ALA 63 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1aab h ALA 63 CO 0.03 -0.04 -0.90 -0.22 0.00 0.00 0.00 179.25 178.13 1aab h LYS 64 N 0.00 0.50 0.00 0.00 3.64 -1.45 -0.31 116.57 118.94 1aab h LYS 64 Ca 0.01 -0.49 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 1aab h LYS 64 Cb 0.06 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1aab h LYS 64 CO -0.00 1.13 -0.35 0.00 -2.27 0.00 0.00 179.45 177.96 1aab h ALA 65 N 0.71 0.97 0.14 5.00 0.00 -0.07 -2.80 119.26 123.21 1aab h ALA 65 Ca -0.07 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.23 1aab h ALA 65 Cb 1.52 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.28 1aab h ALA 65 CO 0.16 0.43 -1.26 0.22 0.00 0.00 0.00 179.25 178.81 1aab h ASP 66 N 0.00 0.71 -0.09 0.00 1.82 -0.40 -2.55 116.42 115.91 1aab h ASP 66 Ca -0.00 -0.69 0.02 0.00 -0.39 0.00 0.00 57.03 55.97 1aab h ASP 66 Cb 0.90 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.68 1aab h ASP 66 CO 0.04 1.52 0.13 0.50 -1.61 0.00 0.00 179.24 179.82 1aab h LYS 67 N 0.19 0.00 0.09 0.28 3.64 -0.80 0.04 116.57 120.01 1aab h LYS 67 Ca -0.18 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.89 1aab h LYS 67 Cb 1.94 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.74 1aab h LYS 67 CO 0.23 0.00 -1.65 0.00 -2.27 0.00 0.00 179.45 175.76 1aab h ALA 68 N 1.83 0.42 -0.00 5.00 0.00 -1.34 -2.73 119.26 122.43 1aab h ALA 68 Ca 0.04 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1aab h ALA 68 Cb 0.29 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1aab h ALA 68 CO -0.00 1.28 -0.06 2.89 0.00 0.00 0.00 179.25 183.36 1aab n ARG 69 N -3.36 0.59 -0.12 0.00 -4.01 -0.61 -2.70 116.66 106.45 1aab n ARG 69 Ca -0.19 -0.12 -0.25 0.00 -1.04 0.00 0.00 57.85 56.25 1aab n ARG 69 Cb 1.04 -1.50 -0.11 0.00 -3.04 0.00 0.00 32.46 28.86 1aab n ARG 69 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 1aab n TYR 70 N -1.10 0.46 0.60 2.89 4.19 -0.10 -4.12 117.16 119.99 1aab n TYR 70 Ca 0.15 0.18 0.08 0.00 3.31 0.00 0.00 57.90 61.62 1aab n TYR 70 Cb 0.25 -1.05 0.36 0.00 0.49 0.00 0.00 39.34 39.40 1aab n TYR 70 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1aab n GLU 71 N -4.16 0.03 0.13 2.98 -0.00 -1.03 -2.52 120.64 116.07 1aab n GLU 71 Ca -0.44 0.20 0.02 0.00 -0.00 0.00 0.00 57.16 56.94 1aab n GLU 71 Cb 0.84 -1.50 0.36 0.00 -0.00 0.00 0.00 31.44 31.14 1aab n GLU 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1aab h ARG 72 N 0.00 0.20 -0.04 3.44 9.65 -1.66 -2.65 114.38 123.31 1aab h ARG 72 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1aab h ARG 72 Cb 0.27 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1aab h ARG 72 CO 0.00 0.41 0.00 0.39 2.80 0.00 0.00 179.97 183.57 1aab n GLU 73 N -4.21 2.11 0.00 0.20 1.02 -1.05 -4.13 120.64 114.59 1aab n GLU 73 Ca -0.01 -1.62 0.09 0.00 -0.02 0.00 0.00 57.16 55.60 1aab n GLU 73 Cb 0.32 -1.47 0.42 0.00 -0.02 0.00 0.00 31.44 30.70 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 0.96 0.06 -0.53 3.49 2.81 -1.00 -1.83 117.12 121.07 1aab n MET 74 Ca 0.16 0.16 0.06 0.00 -1.81 0.00 0.00 57.70 56.26 1aab n MET 74 Cb 0.52 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.79 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 -1.45 3.33 0.00 0.03 4.01 -1.26 -4.02 118.16 118.80 1aab n LYS 75 Ca 0.06 -2.08 0.00 0.00 -0.51 0.00 0.00 58.31 55.78 1aab n LYS 75 Cb 0.21 -1.88 0.00 0.00 -0.51 0.00 0.00 35.03 32.84 1aab n LYS 75 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1aab n THR 76 N 0.55 0.00 -0.02 -0.18 5.66 -1.09 -4.98 114.28 114.23 1aab n THR 76 Ca 0.19 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.18 1aab n THR 76 Cb 0.79 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.57 1aab n THR 76 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 1aab h TYR 77 N 0.00 0.00 -5.73 1.09 3.20 -1.54 -3.50 116.97 110.49 1aab h TYR 77 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1aab h TYR 77 Cb 0.00 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1aab h TYR 77 CO 0.00 0.00 -0.83 -0.89 -1.64 0.00 0.00 178.16 174.80 1aab n ILE 78 N -2.99 -6.35 -1.25 1.81 -0.00 -1.26 -4.97 119.36 104.36 1aab n ILE 78 Ca -0.01 1.19 -0.29 0.00 -0.00 0.00 0.00 62.75 63.64 1aab n ILE 78 Cb 0.04 -4.47 0.16 0.00 -0.00 0.00 0.00 39.64 35.37 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 -0.69 0.63 0.00 0.38 0.05 -1.26 -5.05 135.00 129.07 1aab s PRO 79 Ca -0.08 0.49 0.00 0.00 0.05 0.00 0.00 61.00 61.46 1aab s PRO 79 Cb 0.01 -1.76 0.00 0.00 0.05 0.00 0.00 34.50 32.79 1aab s PRO 79 CO 0.35 -2.58 0.00 -0.35 0.05 0.00 0.00 177.00 174.47 1aab n PRO 80 N -4.07 0.90 -1.79 0.56 -0.04 -1.26 -5.03 135.00 124.28 1aab n PRO 80 Ca 0.06 0.00 -0.02 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 34.05 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 -0.07 0.59 -1.09 0.54 5.02 -1.26 -4.96 118.16 116.92 1aab n LYS 81 Ca 0.00 -1.63 -0.03 0.00 -2.02 0.00 0.00 58.31 54.63 1aab n LYS 81 Cb 0.00 0.08 -0.01 0.00 -0.02 0.00 0.00 35.03 35.07 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 -0.36 0.56 0.00 0.72 0.00 -1.26 -5.39 105.19 99.46 1aab n GLY 82 Ca -0.13 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.68 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50