#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 0.06 0.00 1.61 5.02 -1.26 -4.88 118.16 118.71 1aab n LYS 2 Ca 0.00 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1aab n LYS 2 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 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 -0.44 1.04 1.70 0.72 0.00 -1.26 -5.05 105.19 101.90 1aab n GLY 3 Ca 0.02 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.25 0.28 1.61 8.00 -1.26 -4.79 116.55 117.13 1aab n ASP 4 Ca 0.00 0.81 0.17 0.00 0.71 0.00 0.00 54.79 56.48 1aab n ASP 4 Cb 0.00 3.13 0.94 0.00 -0.02 0.00 0.00 41.12 45.17 1aab n ASP 4 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1aab h PRO 5 N 0.00 0.00 -1.93 -0.24 0.13 -1.99 -3.04 132.00 124.93 1aab h PRO 5 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1aab h PRO 5 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 1aab h PRO 5 CO 0.00 0.00 -1.15 1.63 -0.23 0.00 0.00 178.00 178.25 1aab n LYS 6 N -3.67 0.90 -0.11 0.86 4.76 -1.26 -4.90 118.16 114.74 1aab n LYS 6 Ca -0.02 -3.28 -0.05 0.00 -2.87 0.00 0.00 58.31 52.09 1aab n LYS 6 Cb 0.17 -1.55 0.02 0.00 -1.84 0.00 0.00 35.03 31.83 1aab n LYS 6 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1aab h LYS 7 N 3.29 0.19 -6.50 1.97 1.79 -1.84 -3.41 116.57 112.06 1aab h LYS 7 Ca 0.08 -0.01 -0.53 0.00 -2.18 0.00 0.00 60.65 58.01 1aab h LYS 7 Cb 0.95 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1aab h LYS 7 CO 0.48 0.13 0.55 -1.25 -1.08 0.00 0.00 179.45 178.27 1aab s PRO 8 N -6.16 4.45 0.00 3.15 0.04 -1.26 -4.90 135.00 130.32 1aab s PRO 8 Ca -0.13 1.76 0.08 0.00 0.04 0.00 0.00 61.00 62.74 1aab s PRO 8 Cb 0.13 -3.34 0.32 0.00 0.04 0.00 0.00 34.50 31.65 1aab s PRO 8 CO 0.71 -0.22 1.23 2.89 0.04 0.00 0.00 177.00 181.65 1aab n ARG 9 N 3.75 1.28 -1.69 4.56 1.85 -1.26 -4.94 116.66 120.21 1aab n ARG 9 Ca 0.08 -0.44 -0.01 0.00 -1.00 0.00 0.00 57.85 56.48 1aab n ARG 9 Cb 0.46 -1.15 -0.01 0.00 -1.05 0.00 0.00 32.46 30.71 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 0.75 -3.38 3.48 2.89 0.00 -1.26 -4.77 105.19 102.90 1aab n GLY 10 Ca 0.07 0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 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 0.31 0.86 -0.70 1.61 -0.00 -1.26 -4.88 118.16 114.10 1aab n LYS 11 Ca -0.08 0.16 -0.32 0.00 -0.00 0.00 0.00 58.31 58.08 1aab n LYS 11 Cb 0.12 -2.52 0.16 0.00 -0.00 0.00 0.00 35.03 32.79 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 8.46 -0.77 -2.30 -1.58 2.81 -1.26 -4.97 117.12 117.51 1aab n MET 12 Ca 0.45 -0.18 -0.25 0.00 -1.81 0.00 0.00 57.70 55.91 1aab n MET 12 Cb 0.27 -2.04 0.08 0.00 -0.71 0.00 0.00 33.22 30.83 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 -2.23 4.61 0.36 7.83 0.01 -1.26 -4.77 113.70 118.24 1aab s SER 13 Ca 0.61 0.23 0.06 0.00 1.31 0.00 0.00 55.95 58.16 1aab s SER 13 Cb -0.21 -0.80 0.68 0.00 0.21 0.00 0.00 66.02 65.90 1aab s SER 13 CO 0.64 -1.71 1.90 0.77 0.41 0.00 0.00 173.24 175.25 1aab h SER 14 N -0.61 0.40 0.03 2.44 4.64 -1.93 -0.27 113.55 118.25 1aab h SER 14 Ca -0.43 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1aab h SER 14 Cb 1.30 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1aab h SER 14 CO 0.53 0.49 -0.02 0.22 -0.87 0.00 0.00 176.83 177.19 1aab h TYR 15 N 0.41 -0.04 -0.39 4.77 3.20 -1.93 -2.94 116.97 120.05 1aab h TYR 15 Ca 0.09 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.07 1aab h TYR 15 Cb 0.33 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1aab h TYR 15 CO 0.01 0.58 0.35 0.00 -1.64 0.00 0.00 178.16 177.46 1aab h ALA 16 N 0.17 2.16 -0.08 1.82 0.00 -1.87 0.45 119.26 121.91 1aab h ALA 16 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1aab h ALA 16 Cb 0.64 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1aab h ALA 16 CO 0.01 -0.55 -0.53 0.74 0.00 0.00 0.00 179.25 178.91 1aab h PHE 17 N 0.00 0.28 0.00 0.00 0.04 -0.89 -1.92 116.94 114.44 1aab h PHE 17 Ca 0.18 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1aab h PHE 17 Cb 0.88 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.98 1aab h PHE 17 CO 0.00 0.71 0.00 0.35 -0.60 0.00 0.00 178.31 178.77 1aab h PHE 18 N 0.17 0.00 0.09 -0.55 3.04 0.01 -3.03 116.94 116.68 1aab h PHE 18 Ca 0.00 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.81 1aab h PHE 18 Cb 1.00 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.52 1aab h PHE 18 CO 0.02 0.00 -0.67 0.28 -2.02 0.00 0.00 178.31 175.92 1aab h VAL 19 N 0.00 1.52 0.00 1.41 2.07 -0.53 -1.19 116.25 119.53 1aab h VAL 19 Ca 0.00 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 1aab h VAL 19 Cb 0.79 3.16 -0.00 0.00 -1.52 0.00 0.00 31.29 33.72 1aab h VAL 19 CO 0.00 0.67 -0.04 0.06 0.02 0.00 0.00 177.57 178.28 1aab h GLN 20 N -0.57 0.00 0.00 1.57 3.07 -1.42 1.02 115.11 118.78 1aab h GLN 20 Ca -0.13 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.46 1aab h GLN 20 Cb 1.46 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.99 1aab h GLN 20 CO 0.08 0.04 -0.73 1.15 0.09 0.00 0.00 178.83 179.46 1aab h THR 21 N 0.00 1.37 0.00 1.86 2.02 -1.49 -2.77 112.91 113.90 1aab h THR 21 Ca -0.00 -2.65 -0.08 0.00 0.77 0.00 0.00 66.41 64.45 1aab h THR 21 Cb 0.10 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 1aab h THR 21 CO 0.00 0.72 -0.78 -1.28 0.37 0.00 0.00 175.52 174.55 1aab h SER 22 N 0.00 0.00 0.77 4.18 0.87 0.12 -3.26 113.55 116.23 1aab h SER 22 Ca -0.01 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 1aab h SER 22 Cb 1.44 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 1aab h SER 22 CO 0.10 0.31 -0.53 -0.09 -0.53 0.00 0.00 176.83 176.08 1aab h ARG 23 N 0.00 0.00 -0.01 2.24 2.43 0.93 -0.09 114.38 119.88 1aab h ARG 23 Ca -0.05 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 1aab h ARG 23 Cb 1.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1aab h ARG 23 CO 0.03 0.53 -0.82 1.49 -1.51 0.00 0.00 179.97 179.69 1aab h GLU 24 N 0.00 0.22 0.00 0.20 4.81 -1.54 0.22 114.58 118.49 1aab h GLU 24 Ca -0.01 -0.21 -0.21 0.00 -0.13 0.00 0.00 59.36 58.80 1aab h GLU 24 Cb 1.06 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1aab h GLU 24 CO 0.07 0.92 -1.05 1.05 -0.73 0.00 0.00 179.01 179.27 1aab h GLU 25 N 0.13 0.00 0.11 1.92 4.11 -1.56 -3.31 114.58 115.98 1aab h GLU 25 Ca -0.04 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.11 1aab h GLU 25 Cb 1.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1aab h GLU 25 CO 0.13 0.94 -1.32 1.25 0.07 0.00 0.00 179.01 180.08 1aab h HIS 26 N 0.00 0.43 0.00 2.06 2.76 -0.97 -3.21 115.15 116.22 1aab h HIS 26 Ca -0.03 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 1aab h HIS 26 Cb 1.78 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.73 1aab h HIS 26 CO 0.00 1.28 0.00 1.17 -1.30 0.00 0.00 177.93 179.08 1aab n LYS 27 N -3.48 0.14 0.00 5.26 4.81 0.06 -1.36 118.16 123.59 1aab n LYS 27 Ca -0.10 0.61 0.14 0.00 -0.87 0.00 0.00 58.31 58.08 1aab n LYS 27 Cb 1.02 -1.93 0.60 0.00 0.02 0.00 0.00 35.03 34.75 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 -2.22 0.08 -2.67 1.64 4.76 -1.21 -4.39 118.16 114.15 1aab n LYS 28 Ca -0.01 -0.01 -0.06 0.00 -2.87 0.00 0.00 58.31 55.36 1aab n LYS 28 Cb 0.06 -1.50 0.09 0.00 -1.84 0.00 0.00 35.03 31.84 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 -1.45 0.96 -2.99 1.97 2.85 -0.47 -5.03 118.16 114.00 1aab n LYS 29 Ca 0.08 -1.51 -0.16 0.00 -1.05 0.00 0.00 58.31 55.67 1aab n LYS 29 Cb 0.32 -0.01 -0.00 0.00 -0.65 0.00 0.00 35.03 34.70 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 -0.63 -1.47 0.21 5.58 8.25 -1.08 -4.96 115.22 121.13 1aab n HIS 30 Ca -0.09 -2.90 0.10 0.00 -0.26 0.00 0.00 57.72 54.57 1aab n HIS 30 Cb 0.80 0.48 0.30 0.00 1.12 0.00 0.00 29.99 32.70 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 3.60 0.00 0.04 -0.41 0.13 -1.90 -3.21 132.00 130.24 1aab h PRO 31 Ca -0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.01 1aab h PRO 31 Cb 0.98 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.12 1aab h PRO 31 CO 0.38 0.20 -0.47 0.38 -0.23 0.00 0.00 178.00 178.26 1aab h ASP 32 N 0.00 0.34 -0.79 1.44 2.03 -2.01 -3.31 116.42 114.13 1aab h ASP 32 Ca -0.00 -0.85 0.01 0.00 -0.73 0.00 0.00 57.03 55.46 1aab h ASP 32 Cb 0.95 -0.11 -0.04 0.00 -0.83 0.00 0.00 39.33 39.30 1aab h ASP 32 CO 0.03 1.16 0.53 0.00 -1.03 0.00 0.00 179.24 179.92 1aab h ALA 33 N 0.19 1.45 0.00 4.15 0.00 -1.98 -3.45 119.26 119.62 1aab h ALA 33 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1aab h ALA 33 Cb 1.27 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1aab h ALA 33 CO 0.09 0.51 0.00 0.43 0.00 0.00 0.00 179.25 180.28 1aab n SER 34 N -4.42 0.00 -3.21 0.00 7.64 -1.21 -4.01 113.62 108.41 1aab n SER 34 Ca 0.09 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.80 1aab n SER 34 Cb 0.04 -2.18 0.02 0.00 -1.01 0.00 0.00 64.21 61.08 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 -5.45 1.99 0.44 0.31 -1.26 -4.81 118.33 107.56 1aab n VAL 35 Ca 0.00 0.56 0.05 0.00 -0.01 0.00 0.00 64.34 64.93 1aab n VAL 35 Cb 0.00 -4.38 0.27 0.00 -0.91 0.00 0.00 33.84 28.82 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 0.37 0.02 -1.98 4.52 3.02 -1.26 -4.82 115.26 115.12 1aab n ASN 36 Ca -0.02 -1.72 -0.16 0.00 -0.03 0.00 0.00 54.58 52.66 1aab n ASN 36 Cb 0.51 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.63 -0.78 -1.21 3.10 -0.00 -1.26 -4.62 117.46 112.05 1aab n PHE 37 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 1aab n PHE 37 Cb 0.03 -3.10 0.00 0.00 -0.00 0.00 0.00 39.48 36.41 1aab n PHE 37 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1aab n SER 38 N -1.40 0.00 0.00 -2.13 2.88 -1.26 -4.80 113.62 106.91 1aab n SER 38 Ca -0.18 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1aab n SER 38 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.00 3.76 -0.01 -1.46 -0.58 -1.26 -4.84 120.64 116.25 1aab n GLU 39 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1aab n GLU 39 Cb 0.31 -0.46 -0.07 0.00 -0.57 0.00 0.00 31.44 30.65 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 -0.10 -0.38 -0.32 3.57 -1.92 -3.22 116.94 114.58 1aab h PHE 40 Ca 0.00 -0.00 0.11 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 38.76 1aab h PHE 40 CO 0.00 0.36 0.46 1.03 -2.23 0.00 0.00 178.31 177.93 1aab h SER 41 N -0.95 0.00 -0.53 0.41 0.87 -1.90 0.67 113.55 112.11 1aab h SER 41 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1aab h SER 41 Cb 0.50 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1aab h SER 41 CO 0.02 0.00 0.29 0.50 -0.53 0.00 0.00 176.83 177.11 1aab h LYS 42 N 0.00 0.77 0.00 2.24 3.64 -1.88 0.15 116.57 121.50 1aab h LYS 42 Ca 0.18 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1aab h LYS 42 Cb 1.09 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1aab h LYS 42 CO -0.00 0.58 -0.21 -0.22 -2.27 0.00 0.00 179.45 177.34 1aab h LYS 43 N 0.78 0.13 -0.55 1.90 1.63 0.24 -3.09 116.57 117.62 1aab h LYS 43 Ca 0.20 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1aab h LYS 43 Cb 0.05 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1aab h LYS 43 CO -0.03 0.91 0.32 0.00 -3.45 0.00 0.00 179.45 177.19 1aab h SER 45 N 0.75 0.46 0.53 0.00 0.87 -0.76 0.28 113.55 115.68 1aab h SER 45 Ca 0.20 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1aab h SER 45 Cb -0.01 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1aab h SER 45 CO -0.04 0.32 0.00 -0.08 -0.53 0.00 0.00 176.83 176.50 1aab h GLU 46 N 0.58 0.00 -0.01 2.24 4.81 -1.25 0.12 114.58 121.07 1aab h GLU 46 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1aab h GLU 46 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1aab h GLU 46 CO -0.12 0.00 -0.44 -2.13 -0.73 0.00 0.00 179.01 175.59 1aab n ARG 47 N -3.07 0.69 -0.04 1.92 0.63 0.73 -4.05 116.66 113.48 1aab n ARG 47 Ca -0.01 -0.48 -0.07 0.00 -0.92 0.00 0.00 57.85 56.38 1aab n ARG 47 Cb 0.19 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 31.59 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 -0.74 0.00 0.27 -0.14 -0.00 0.28 -4.51 117.44 112.60 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 -0.33 0.43 0.00 -0.00 0.00 0.00 31.31 31.79 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 -0.60 0.00 -0.21 5.87 1.57 -1.07 0.28 116.57 122.41 1aab h LYS 49 Ca -0.04 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 1aab h LYS 49 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1aab h LYS 49 CO -0.02 0.00 -0.52 0.00 -0.57 0.00 0.00 179.45 178.34 1aab h THR 50 N 0.00 1.31 -2.60 -0.16 1.03 -1.76 -3.45 112.91 107.27 1aab h THR 50 Ca 0.00 -1.74 -0.39 0.00 -0.01 0.00 0.00 66.41 64.27 1aab h THR 50 Cb 1.00 1.86 0.21 0.00 -1.07 0.00 0.00 68.15 70.15 1aab h THR 50 CO 0.00 0.55 -0.45 0.23 -0.01 0.00 0.00 175.52 175.84 1aab n MET 51 N -4.12 -2.77 0.00 0.00 2.81 0.98 -5.02 117.12 109.00 1aab n MET 51 Ca -0.06 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.03 1aab n MET 51 Cb 0.61 -1.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1aab n MET 51 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1aab n SER 52 N -3.48 0.00 0.00 7.83 7.64 -1.26 -5.00 113.62 119.34 1aab n SER 52 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1aab n SER 52 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1aab n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aab n ALA 53 N -1.69 0.00 -0.07 -0.43 0.00 -1.26 -4.81 120.51 112.24 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 0.36 0.06 0.00 1.57 -1.97 0.89 116.57 117.47 1aab h LYS 54 Ca 0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1aab h LYS 54 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1aab h LYS 54 CO 0.00 0.37 -0.03 0.93 -0.57 0.00 0.00 179.45 180.16 1aab h GLU 55 N 0.26 -0.07 0.00 3.15 4.39 -1.97 -1.35 114.58 118.98 1aab h GLU 55 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1aab h GLU 55 Cb 0.14 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1aab h GLU 55 CO -0.01 0.41 0.00 1.63 -1.16 0.00 0.00 179.01 179.88 1aab n LYS 56 N -4.88 0.08 0.11 2.33 5.02 -1.15 -2.62 118.16 117.05 1aab n LYS 56 Ca -0.09 0.16 -0.06 0.00 -2.02 0.00 0.00 58.31 56.31 1aab n LYS 56 Cb 0.26 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.65 -0.39 1.95 0.72 0.00 0.20 -1.43 103.07 104.78 1aab h GLY 57 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1aab h GLY 57 CO 0.00 -0.14 0.00 0.58 0.00 0.00 0.00 176.54 176.98 1aab n LYS 58 N -5.02 0.01 0.02 4.80 0.00 -1.08 -0.34 118.16 116.55 1aab n LYS 58 Ca -0.05 0.36 -0.05 0.00 -0.00 0.00 0.00 58.31 58.57 1aab n LYS 58 Cb 0.15 -1.50 -0.11 0.00 -0.00 0.00 0.00 35.03 33.58 1aab n LYS 58 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1aab h PHE 59 N 0.00 0.00 0.00 5.58 0.04 -1.56 -3.04 116.94 117.96 1aab h PHE 59 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1aab h PHE 59 Cb 0.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 1aab h PHE 59 CO 0.00 0.84 -0.03 0.93 -0.60 0.00 0.00 178.31 179.46 1aab h GLU 60 N 0.00 0.00 0.19 1.51 4.39 0.46 -2.32 114.58 118.81 1aab h GLU 60 Ca -0.18 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.20 1aab h GLU 60 Cb 1.81 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.48 1aab h GLU 60 CO 0.08 0.03 -1.43 0.22 -1.16 0.00 0.00 179.01 176.75 1aab h ASP 61 N 0.00 0.64 -0.08 1.42 1.82 -1.40 -2.61 116.42 116.21 1aab h ASP 61 Ca -0.00 -0.72 -0.02 0.00 -0.39 0.00 0.00 57.03 55.91 1aab h ASP 61 Cb 0.69 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.49 1aab h ASP 61 CO 0.00 1.57 -0.01 0.24 -1.61 0.00 0.00 179.24 179.43 1aab h MET 62 N 0.11 0.15 -0.10 0.28 2.86 -1.38 0.59 114.93 117.44 1aab h MET 62 Ca -0.22 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1aab h MET 62 Cb 2.08 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.73 1aab h MET 62 CO 0.23 0.44 0.07 0.00 1.06 0.00 0.00 176.91 178.71 1aab h ALA 63 N 0.71 2.06 0.00 6.32 0.00 -1.52 0.17 119.26 126.99 1aab h ALA 63 Ca 0.02 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1aab h ALA 63 Cb 0.38 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1aab h ALA 63 CO 0.01 -0.08 -0.71 -0.22 0.00 0.00 0.00 179.25 178.25 1aab h LYS 64 N 0.03 0.00 -0.20 0.00 3.64 -1.02 -1.54 116.57 117.48 1aab h LYS 64 Ca 0.04 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.23 1aab h LYS 64 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1aab h LYS 64 CO -0.00 0.71 -0.66 0.00 -2.27 0.00 0.00 179.45 177.22 1aab h ALA 65 N 1.29 0.45 -0.02 5.00 0.00 0.16 -2.75 119.26 123.39 1aab h ALA 65 Ca -0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1aab h ALA 65 Cb 1.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1aab h ALA 65 CO 0.09 0.69 -0.45 0.22 0.00 0.00 0.00 179.25 179.80 1aab h ASP 66 N 0.54 0.05 -0.75 0.00 1.82 -0.93 -2.27 116.42 114.89 1aab h ASP 66 Ca -0.02 -0.02 0.07 0.00 -0.39 0.00 0.00 57.03 56.66 1aab h ASP 66 Cb 1.27 -0.01 -0.05 0.00 0.68 0.00 0.00 39.33 41.21 1aab h ASP 66 CO 0.14 0.50 0.49 0.50 -1.61 0.00 0.00 179.24 179.26 1aab h LYS 67 N 0.04 0.77 -0.07 0.28 3.64 -0.98 0.05 116.57 120.31 1aab h LYS 67 Ca -0.00 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 1aab h LYS 67 Cb 0.82 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1aab h LYS 67 CO 0.06 0.51 -0.60 0.00 -2.27 0.00 0.00 179.45 177.14 1aab h ALA 68 N 1.59 0.86 0.00 5.00 0.00 -1.31 -2.82 119.26 122.59 1aab h ALA 68 Ca 0.32 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1aab h ALA 68 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1aab h ALA 68 CO -0.11 0.73 -0.22 0.00 0.00 0.00 0.00 179.25 179.65 1aab h ARG 69 N 0.17 0.00 -0.04 0.00 2.47 -0.87 -0.83 114.38 115.29 1aab h ARG 69 Ca -0.01 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.51 1aab h ARG 69 Cb 1.10 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1aab h ARG 69 CO 0.09 0.22 -0.85 -0.92 0.56 0.00 0.00 179.97 179.08 1aab h TYR 70 N 0.00 0.60 0.00 3.04 5.03 -1.01 -2.92 116.97 121.71 1aab h TYR 70 Ca -0.00 -0.30 -0.24 0.00 2.58 0.00 0.00 58.73 60.77 1aab h TYR 70 Cb 0.66 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.83 1aab h TYR 70 CO 0.00 1.10 -1.26 0.93 -1.32 0.00 0.00 178.16 177.61 1aab h GLU 71 N 0.26 0.01 -0.11 1.82 5.08 -1.40 -3.33 114.58 116.90 1aab h GLU 71 Ca -0.06 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1aab h GLU 71 Cb 1.46 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1aab h GLU 71 CO 0.15 0.83 -0.51 -0.09 -1.00 0.00 0.00 179.01 178.39 1aab h ARG 72 N 0.00 0.31 0.00 2.33 9.65 -1.21 -2.95 114.38 122.52 1aab h ARG 72 Ca -0.11 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 1aab h ARG 72 Cb 1.86 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.46 1aab h ARG 72 CO 0.11 0.75 0.00 0.39 2.80 0.00 0.00 179.97 184.03 1aab n GLU 73 N -3.95 0.22 0.29 0.20 -0.58 -1.10 -3.38 120.64 112.33 1aab n GLU 73 Ca -0.02 0.04 0.19 0.00 -0.42 0.00 0.00 57.16 56.95 1aab n GLU 73 Cb 0.56 -1.50 0.97 0.00 -0.57 0.00 0.00 31.44 30.90 1aab n GLU 73 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1aab h MET 74 N 0.00 0.00 0.00 3.49 2.86 -1.63 -1.33 114.93 118.32 1aab h MET 74 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1aab h MET 74 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1aab h MET 74 CO 0.00 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.60 1aab n LYS 75 N -2.89 0.54 0.00 1.72 5.02 -1.22 -3.07 118.16 118.27 1aab n LYS 75 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1aab n LYS 75 Cb 0.12 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.50 0.00 0.00 -0.18 -2.24 -0.53 -5.05 114.28 105.78 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 0.00 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 -3.04 4.78 9.36 -1.04 -4.97 117.16 122.25 1aab n TYR 77 Ca 0.00 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 1aab n TYR 77 Cb 0.00 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 -4.95 -0.33 2.97 5.41 -1.26 -4.95 119.36 116.25 1aab n ILE 78 Ca 0.00 0.90 -0.30 0.00 1.00 0.00 0.00 62.75 64.35 1aab n ILE 78 Cb 0.00 -4.12 0.29 0.00 -0.71 0.00 0.00 39.64 35.10 1aab n ILE 78 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1aab s PRO 79 N -1.08 -2.75 0.00 0.38 0.02 -1.26 -5.02 135.00 125.29 1aab s PRO 79 Ca -0.01 0.30 0.00 0.00 0.02 0.00 0.00 61.00 61.31 1aab s PRO 79 Cb 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 34.50 33.14 1aab s PRO 79 CO 0.23 -4.80 0.00 -0.35 -0.33 0.00 0.00 177.00 171.76 1aab n PRO 80 N -5.60 1.57 -1.07 5.54 -0.05 -1.26 -4.74 135.00 129.38 1aab n PRO 80 Ca 0.10 0.00 -0.24 0.00 -0.05 0.00 0.00 63.50 63.31 1aab n PRO 80 Cb 0.59 0.00 -0.09 0.00 -0.05 0.00 0.00 33.50 33.95 1aab n PRO 80 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1aab n LYS 81 N 0.00 2.67 -3.36 0.54 4.76 -1.26 -4.63 118.16 116.88 1aab n LYS 81 Ca 0.00 -1.52 -0.14 0.00 -2.87 0.00 0.00 58.31 53.77 1aab n LYS 81 Cb 0.00 -2.37 0.03 0.00 -1.84 0.00 0.00 35.03 30.85 1aab n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aab n GLY 82 N 3.11 -1.18 0.00 0.72 0.00 -1.26 -5.36 105.19 101.22 1aab n GLY 82 Ca 0.57 0.51 0.11 0.00 0.00 0.00 0.00 46.02 47.21 1aab n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11