#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 0.00 -3.73 1.61 3.00 -1.26 -5.03 118.16 112.75 1aab n LYS 2 Ca 0.00 0.10 0.01 0.00 -0.00 0.00 0.00 58.31 58.42 1aab n LYS 2 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.00 1aab n LYS 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1aab s GLY 3 N -0.35 -0.29 0.62 3.14 0.00 -1.26 -5.15 107.32 104.02 1aab s GLY 3 Ca 0.00 0.41 -0.18 0.00 0.00 0.00 0.00 44.72 44.96 1aab s GLY 3 CO 0.00 1.52 1.19 0.99 0.00 0.00 0.00 173.10 176.80 1aab s ASP 4 N -3.20 5.05 -1.05 1.64 1.01 -1.26 -4.82 116.67 114.03 1aab s ASP 4 Ca 0.18 2.33 -0.25 0.00 0.71 0.00 0.00 52.55 55.52 1aab s ASP 4 Cb 0.03 -2.59 -0.17 0.00 1.01 0.00 0.00 42.92 41.20 1aab s ASP 4 CO -0.02 -1.69 2.10 -2.16 0.21 0.00 0.00 175.17 173.62 1aab s PRO 5 N -3.50 1.66 -1.24 8.23 0.04 -1.26 -3.92 135.00 135.00 1aab s PRO 5 Ca 0.76 -0.47 -0.17 0.00 0.04 0.00 0.00 61.00 61.15 1aab s PRO 5 Cb -0.29 -5.02 0.01 0.00 0.04 0.00 0.00 34.50 29.23 1aab s PRO 5 CO 0.36 -4.84 0.63 1.63 0.04 0.00 0.00 177.00 174.82 1aab n LYS 6 N 8.34 -1.56 -1.91 4.56 5.02 -1.26 -4.85 118.16 126.49 1aab n LYS 6 Ca 0.43 0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 56.65 1aab n LYS 6 Cb 0.46 -3.88 -0.02 0.00 -0.02 0.00 0.00 35.03 31.57 1aab n LYS 6 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1aab s LYS 7 N -6.50 4.21 0.74 1.97 2.20 -1.25 -4.95 119.74 116.16 1aab s LYS 7 Ca 0.33 2.41 -0.15 0.00 -0.36 0.00 0.00 55.97 58.20 1aab s LYS 7 Cb -0.14 -3.10 0.05 0.00 -1.51 0.00 0.00 37.83 33.13 1aab s LYS 7 CO 0.90 -0.56 1.24 -1.25 -0.36 0.00 0.00 175.35 175.32 1aab s PRO 8 N 0.24 2.00 0.00 4.03 0.04 -1.26 -4.96 135.00 135.08 1aab s PRO 8 Ca 0.65 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1aab s PRO 8 Cb -0.44 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1aab s PRO 8 CO 0.39 -1.97 0.91 -2.13 0.04 0.00 0.00 177.00 174.25 1aab n ARG 9 N -2.77 0.00 0.00 4.56 0.63 -1.26 -4.98 116.66 112.84 1aab n ARG 9 Ca 0.14 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 1aab n ARG 9 Cb 0.50 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.99 1aab n ARG 9 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aab n GLY 10 N -0.89 1.48 3.51 5.14 0.00 -1.26 -5.06 105.19 108.10 1aab n GLY 10 Ca 0.00 0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.60 -1.47 1.61 -0.00 -1.26 -4.86 118.16 112.78 1aab n LYS 11 Ca 0.00 0.04 -0.37 0.00 -0.00 0.00 0.00 58.31 57.99 1aab n LYS 11 Cb 0.00 -2.46 0.07 0.00 -0.00 0.00 0.00 35.03 32.64 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 8.65 0.65 -1.49 -1.58 2.81 -1.26 -4.95 117.12 119.94 1aab n MET 12 Ca 0.50 0.27 -0.30 0.00 -1.81 0.00 0.00 57.70 56.36 1aab n MET 12 Cb 0.28 -2.16 0.08 0.00 -0.71 0.00 0.00 33.22 30.71 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 -1.46 4.63 0.55 7.83 0.01 -1.26 -4.71 113.70 119.30 1aab s SER 13 Ca 0.74 1.46 0.22 0.00 1.31 0.00 0.00 55.95 59.69 1aab s SER 13 Cb -0.38 -2.23 1.46 0.00 0.21 0.00 0.00 66.02 65.09 1aab s SER 13 CO 0.49 -1.90 2.15 0.77 0.41 0.00 0.00 173.24 175.16 1aab h SER 14 N -1.04 0.00 0.02 2.44 4.64 -1.93 -0.53 113.55 117.16 1aab h SER 14 Ca -0.46 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 1aab h SER 14 Cb 1.25 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1aab h SER 14 CO 0.57 0.00 -0.23 0.22 -0.87 0.00 0.00 176.83 176.52 1aab h TYR 15 N 0.00 0.20 -0.35 4.77 3.20 -1.90 -3.02 116.97 119.88 1aab h TYR 15 Ca 0.04 -0.12 0.10 0.00 3.14 0.00 0.00 58.73 61.89 1aab h TYR 15 Cb 0.20 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1aab h TYR 15 CO 0.00 0.98 0.31 0.00 -1.64 0.00 0.00 178.16 177.81 1aab h ALA 16 N 0.18 2.13 -0.05 1.82 0.00 -1.66 0.49 119.26 122.18 1aab h ALA 16 Ca -0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1aab h ALA 16 Cb 1.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1aab h ALA 16 CO 0.05 -0.49 -0.64 0.74 0.00 0.00 0.00 179.25 178.90 1aab h PHE 17 N 0.00 0.24 0.00 0.00 0.04 -1.07 -1.85 116.94 114.30 1aab h PHE 17 Ca 0.17 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1aab h PHE 17 Cb 0.78 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1aab h PHE 17 CO 0.00 0.77 0.00 0.35 -0.60 0.00 0.00 178.31 178.83 1aab h PHE 18 N 0.13 0.00 0.04 -0.55 3.04 0.03 -2.97 116.94 116.66 1aab h PHE 18 Ca -0.01 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1aab h PHE 18 Cb 1.16 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.67 1aab h PHE 18 CO 0.02 0.00 -0.26 0.28 -2.02 0.00 0.00 178.31 176.33 1aab h VAL 19 N 0.00 1.68 0.00 1.41 2.07 -0.54 0.29 116.25 121.15 1aab h VAL 19 Ca 0.00 -2.32 -0.00 0.00 0.82 0.00 0.00 66.70 65.20 1aab h VAL 19 Cb 0.86 3.23 -0.00 0.00 -1.52 0.00 0.00 31.29 33.86 1aab h VAL 19 CO 0.00 0.62 -0.01 0.06 0.02 0.00 0.00 177.57 178.27 1aab h GLN 20 N -0.74 0.00 0.10 1.57 -0.00 -1.39 1.20 115.11 115.85 1aab h GLN 20 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.31 1aab h GLN 20 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.64 1aab h GLN 20 CO 0.05 0.01 -1.49 1.15 -0.00 0.00 0.00 178.83 178.54 1aab h THR 21 N 0.00 1.18 -0.01 1.86 2.02 -1.42 -3.14 112.91 113.41 1aab h THR 21 Ca -0.00 -2.84 0.00 0.00 0.77 0.00 0.00 66.41 64.34 1aab h THR 21 Cb 0.02 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1aab h THR 21 CO 0.00 0.81 -0.26 -1.20 0.37 0.00 0.00 175.52 175.24 1aab n SER 22 N -3.42 0.79 -0.07 4.18 7.64 0.10 -3.96 113.62 118.88 1aab n SER 22 Ca -0.15 -0.67 -0.12 0.00 1.01 0.00 0.00 58.87 58.94 1aab n SER 22 Cb 1.04 0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 64.24 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 0.83 0.00 -0.64 1.43 2.43 0.13 -3.07 114.38 115.48 1aab h ARG 23 Ca 0.00 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.33 1aab h ARG 23 Cb 0.47 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1aab h ARG 23 CO 0.00 0.70 0.45 0.93 -1.51 0.00 0.00 179.97 180.54 1aab h GLU 24 N -1.00 0.16 -0.02 0.20 5.08 -1.69 0.32 114.58 117.64 1aab h GLU 24 Ca -0.09 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1aab h GLU 24 Cb 0.83 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1aab h GLU 24 CO -0.05 0.11 -0.77 1.05 -1.00 0.00 0.00 179.01 178.34 1aab h GLU 25 N 0.17 0.17 -0.01 2.33 -0.00 -1.69 -2.93 114.58 112.62 1aab h GLU 25 Ca 0.31 -0.16 0.00 0.00 -0.00 0.00 0.00 59.36 59.51 1aab h GLU 25 Cb 0.99 0.04 0.00 0.00 -0.00 0.00 0.00 28.75 29.78 1aab h GLU 25 CO -0.05 0.86 -0.00 1.58 -0.00 0.00 0.00 179.01 181.40 1aab n HIS 26 N -3.72 0.00 -0.08 2.06 -0.00 0.96 -4.01 115.22 110.42 1aab n HIS 26 Ca -0.03 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.06 1aab n HIS 26 Cb 0.74 -0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.58 1aab n HIS 26 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1aab h LYS 27 N 1.28 0.39 0.00 1.57 3.64 -0.87 -1.29 116.57 121.29 1aab h LYS 27 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1aab h LYS 27 Cb 0.28 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1aab h LYS 27 CO 0.00 0.32 -1.00 0.87 -2.27 0.00 0.00 179.45 177.37 1aab h LYS 28 N 0.35 0.00 -0.00 1.90 1.57 -1.77 -3.33 116.57 115.29 1aab h LYS 28 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1aab h LYS 28 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1aab h LYS 28 CO -0.02 0.06 -0.18 1.17 -0.57 0.00 0.00 179.45 179.91 1aab n LYS 29 N -2.76 0.19 -3.14 3.15 4.81 -1.16 -4.29 118.16 114.95 1aab n LYS 29 Ca -0.01 -0.06 -0.19 0.00 -0.87 0.00 0.00 58.31 57.17 1aab n LYS 29 Cb 0.61 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.12 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 -1.35 -0.38 0.10 5.64 8.25 -0.50 -4.95 115.22 122.02 1aab n HIS 30 Ca 0.09 -3.52 -0.04 0.00 -0.26 0.00 0.00 57.72 53.99 1aab n HIS 30 Cb 0.32 -0.18 0.14 0.00 1.12 0.00 0.00 29.99 31.39 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 3.45 0.18 0.00 -0.41 0.13 -1.75 -3.20 132.00 130.40 1aab h PRO 31 Ca 0.06 -0.12 -0.17 0.00 -0.87 0.00 0.00 66.00 64.90 1aab h PRO 31 Cb 0.94 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 1aab h PRO 31 CO 0.45 0.72 -0.81 0.22 -0.23 0.00 0.00 178.00 178.36 1aab h ASP 32 N 0.13 0.00 -0.04 1.44 3.58 -1.93 -3.24 116.42 116.37 1aab h ASP 32 Ca -0.01 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.46 1aab h ASP 32 Cb 1.09 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.14 1aab h ASP 32 CO 0.09 0.81 0.05 0.00 -2.88 0.00 0.00 179.24 177.31 1aab h ALA 33 N 1.19 1.52 0.00 -0.78 0.00 -1.96 -3.44 119.26 115.80 1aab h ALA 33 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1aab h ALA 33 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1aab h ALA 33 CO 0.11 -0.07 0.00 0.43 0.00 0.00 0.00 179.25 179.71 1aab n SER 34 N -3.73 0.00 -3.21 0.00 7.64 -1.22 -4.11 113.62 108.98 1aab n SER 34 Ca -0.02 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.67 1aab n SER 34 Cb 0.14 -1.60 0.02 0.00 -1.01 0.00 0.00 64.21 61.75 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 -5.76 1.39 0.44 0.31 -1.26 -4.78 118.33 106.67 1aab n VAL 35 Ca 0.00 0.55 0.09 0.00 -0.01 0.00 0.00 64.34 64.97 1aab n VAL 35 Cb 0.00 -4.52 0.53 0.00 -0.91 0.00 0.00 33.84 28.94 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 0.27 0.00 -2.84 4.52 3.02 -1.26 -4.81 115.26 114.17 1aab n ASN 36 Ca -0.02 -0.84 -0.15 0.00 -0.03 0.00 0.00 54.58 53.54 1aab n ASN 36 Cb 0.52 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 -0.90 -1.64 -1.38 3.10 -0.00 -1.26 -4.59 117.46 110.79 1aab n PHE 37 Ca 0.13 0.20 0.00 0.00 -0.00 0.00 0.00 57.45 57.78 1aab n PHE 37 Cb 0.06 -2.61 0.00 0.00 -0.00 0.00 0.00 39.48 36.93 1aab n PHE 37 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1aab n SER 38 N -1.97 0.00 0.00 -2.13 3.41 -1.26 -4.81 113.62 106.86 1aab n SER 38 Ca -0.07 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 1aab n SER 38 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aab n GLU 39 N 0.00 2.60 -0.06 4.33 -0.58 -1.26 -4.88 120.64 120.79 1aab n GLU 39 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1aab n GLU 39 Cb 0.30 -0.22 -0.12 0.00 -0.57 0.00 0.00 31.44 30.84 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 -0.04 -0.32 3.57 -1.92 -3.18 116.94 115.04 1aab h PHE 40 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 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 0.85 0.39 0.77 -2.23 0.00 0.00 178.31 178.09 1aab h SER 41 N -0.92 0.00 -0.21 0.41 0.02 -1.90 0.62 113.55 111.58 1aab h SER 41 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1aab h SER 41 Cb 0.86 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1aab h SER 41 CO 0.00 0.00 -0.02 0.50 -1.14 0.00 0.00 176.83 176.17 1aab h LYS 42 N 0.00 0.52 0.05 3.45 3.64 -1.89 0.09 116.57 122.43 1aab h LYS 42 Ca 0.02 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1aab h LYS 42 Cb 0.81 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1aab h LYS 42 CO -0.00 0.56 -0.32 0.87 -2.27 0.00 0.00 179.45 178.29 1aab h LYS 43 N 0.49 0.13 -0.63 1.90 1.57 0.11 -3.05 116.57 117.10 1aab h LYS 43 Ca 0.10 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1aab h LYS 43 Cb 0.35 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1aab h LYS 43 CO 0.01 1.07 0.41 0.00 -0.57 0.00 0.00 179.45 180.37 1aab h SER 45 N 0.68 0.33 0.33 0.00 0.02 -1.03 0.56 113.55 114.44 1aab h SER 45 Ca 0.26 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1aab h SER 45 Cb 0.18 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1aab h SER 45 CO -0.08 0.24 0.00 1.21 -1.14 0.00 0.00 176.83 177.06 1aab n GLU 46 N -4.90 0.12 -0.00 3.45 2.13 -0.23 -0.72 120.64 120.49 1aab n GLU 46 Ca 0.01 0.20 0.08 0.00 0.66 0.00 0.00 57.16 58.11 1aab n GLU 46 Cb 0.07 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.18 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 -1.37 1.34 -0.08 5.31 3.00 0.78 -4.43 116.66 121.22 1aab n ARG 47 Ca 0.05 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.85 57.72 1aab n ARG 47 Cb 0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 32.46 31.26 1aab n ARG 47 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 1aab n TRP 48 N -1.64 0.00 0.30 -0.14 -0.00 0.16 -4.29 117.44 111.83 1aab n TRP 48 Ca 0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 1aab n TRP 48 Cb 0.31 -0.52 0.58 0.00 -0.00 0.00 0.00 31.31 31.69 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 -0.82 0.00 0.08 5.87 1.57 -1.15 0.15 116.57 122.26 1aab h LYS 49 Ca -0.16 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.35 1aab h LYS 49 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1aab h LYS 49 CO -0.09 0.00 -1.39 0.00 -0.57 0.00 0.00 179.45 177.40 1aab h THR 50 N 0.00 1.29 -2.01 -0.16 1.03 -1.77 -3.47 112.91 107.82 1aab h THR 50 Ca 0.00 -2.97 -0.18 0.00 -0.01 0.00 0.00 66.41 63.25 1aab h THR 50 Cb 0.88 2.76 0.10 0.00 -1.07 0.00 0.00 68.15 70.82 1aab h THR 50 CO 0.00 0.82 -0.06 0.23 -0.01 0.00 0.00 175.52 176.50 1aab n MET 51 N -3.38 -3.16 -4.21 0.00 2.81 0.51 -5.04 117.12 104.65 1aab n MET 51 Ca -0.11 -0.72 -0.25 0.00 -1.81 0.00 0.00 57.70 54.80 1aab n MET 51 Cb 1.02 -0.89 -0.07 0.00 -0.71 0.00 0.00 33.22 32.57 1aab n MET 51 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1aab s SER 52 N -2.60 4.84 0.60 7.83 0.15 -1.26 -4.97 113.70 118.30 1aab s SER 52 Ca 0.32 -0.41 0.28 0.00 0.70 0.00 0.00 55.95 56.84 1aab s SER 52 Cb -0.05 -1.04 1.34 0.00 -1.71 0.00 0.00 66.02 64.56 1aab s SER 52 CO 0.27 0.06 1.75 0.00 1.20 0.00 0.00 173.24 176.52 1aab h ALA 53 N 2.43 2.25 0.47 5.45 0.00 -1.96 0.94 119.26 128.84 1aab h ALA 53 Ca -0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 53 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1aab h ALA 53 CO 0.59 -0.90 -0.22 0.87 0.00 0.00 0.00 179.25 179.58 1aab h LYS 54 N 0.00 -0.60 -0.10 0.00 1.57 -1.97 0.92 116.57 116.38 1aab h LYS 54 Ca 0.25 0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1aab h LYS 54 Cb 1.52 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.96 1aab h LYS 54 CO -0.00 -0.40 -0.08 0.93 -0.57 0.00 0.00 179.45 179.33 1aab h GLU 55 N -0.64 0.24 0.00 3.15 5.08 -1.28 -1.73 114.58 119.40 1aab h GLU 55 Ca -0.06 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1aab h GLU 55 Cb 0.49 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1aab h GLU 55 CO 0.11 0.62 0.00 1.63 -1.00 0.00 0.00 179.01 180.37 1aab n LYS 56 N -4.68 0.34 0.11 2.33 5.02 -0.36 -1.85 118.16 119.07 1aab n LYS 56 Ca -0.07 0.05 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 1aab n LYS 56 Cb 0.30 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.66 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 2.12 0.50 2.00 0.72 0.00 0.18 -2.16 103.07 106.43 1aab h GLY 57 Ca 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 47.33 46.00 1aab h GLY 57 CO 0.00 1.13 -0.18 1.70 0.00 0.00 0.00 176.54 179.18 1aab h LYS 58 N -0.08 0.00 0.00 4.80 3.11 -1.28 -2.12 116.57 121.00 1aab h LYS 58 Ca -0.21 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.54 1aab h LYS 58 Cb 1.95 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.17 1aab h LYS 58 CO 0.22 0.18 -0.55 0.74 -2.81 0.00 0.00 179.45 177.24 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.55 -2.75 116.94 114.59 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 0.74 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 1aab h PHE 59 CO 0.00 0.39 -0.23 0.93 -0.60 0.00 0.00 178.31 178.80 1aab h GLU 60 N 0.00 0.00 -0.09 1.51 4.39 -0.74 -2.55 114.58 117.09 1aab h GLU 60 Ca -0.02 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.46 1aab h GLU 60 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1aab h GLU 60 CO 0.05 0.23 -0.81 0.22 -1.16 0.00 0.00 179.01 177.54 1aab h ASP 61 N 0.00 0.72 -0.05 1.42 3.58 -1.15 -1.88 116.42 119.07 1aab h ASP 61 Ca -0.00 -0.49 -0.01 0.00 0.42 0.00 0.00 57.03 56.94 1aab h ASP 61 Cb 0.96 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 1aab h ASP 61 CO 0.03 1.27 -0.02 0.24 -2.88 0.00 0.00 179.24 177.88 1aab h MET 62 N 0.39 0.10 -0.30 0.28 2.86 -1.42 -1.08 114.93 115.75 1aab h MET 62 Ca -0.06 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.61 1aab h MET 62 Cb 1.42 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.06 1aab h MET 62 CO 0.15 0.46 0.21 0.00 1.06 0.00 0.00 176.91 178.79 1aab h ALA 63 N 0.63 2.13 0.00 6.32 0.00 -1.49 0.49 119.26 127.35 1aab h ALA 63 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1aab h ALA 63 Cb 0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1aab h ALA 63 CO 0.01 -0.21 -0.39 0.87 0.00 0.00 0.00 179.25 179.53 1aab h LYS 64 N 0.12 0.00 -0.07 0.00 1.57 -0.89 0.28 116.57 117.59 1aab h LYS 64 Ca 0.14 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.69 1aab h LYS 64 Cb 0.40 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1aab h LYS 64 CO -0.02 0.39 -0.88 0.00 -0.57 0.00 0.00 179.45 178.38 1aab h ALA 65 N 1.61 0.32 -0.02 3.86 0.00 0.12 -2.85 119.26 122.31 1aab h ALA 65 Ca -0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 1aab h ALA 65 Cb 0.93 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1aab h ALA 65 CO 0.05 0.73 -0.62 0.22 0.00 0.00 0.00 179.25 179.63 1aab h ASP 66 N 0.39 0.07 -0.49 0.00 1.82 -0.84 -2.53 116.42 114.85 1aab h ASP 66 Ca -0.08 -0.04 0.01 0.00 -0.39 0.00 0.00 57.03 56.53 1aab h ASP 66 Cb 1.50 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.47 1aab h ASP 66 CO 0.17 0.67 0.32 0.50 -1.61 0.00 0.00 179.24 179.29 1aab h LYS 67 N 0.05 0.62 -0.14 0.28 3.64 -0.77 0.56 116.57 120.81 1aab h LYS 67 Ca -0.01 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1aab h LYS 67 Cb 1.10 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1aab h LYS 67 CO 0.08 0.41 -0.56 0.00 -2.27 0.00 0.00 179.45 177.12 1aab h ALA 68 N 1.70 0.78 0.00 5.00 0.00 -1.23 -2.26 119.26 123.25 1aab h ALA 68 Ca 0.18 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1aab h ALA 68 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1aab h ALA 68 CO -0.04 0.70 -0.46 0.00 0.00 0.00 0.00 179.25 179.44 1aab h ARG 69 N 0.32 0.00 -0.13 0.00 2.47 -0.91 -0.47 114.38 115.66 1aab h ARG 69 Ca 0.00 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.53 1aab h ARG 69 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1aab h ARG 69 CO 0.10 0.46 -0.72 -0.92 0.56 0.00 0.00 179.97 179.45 1aab h TYR 70 N 0.00 0.80 0.06 3.04 3.20 -0.66 -3.21 116.97 120.21 1aab h TYR 70 Ca -0.00 -0.34 -0.25 0.00 3.14 0.00 0.00 58.73 61.28 1aab h TYR 70 Cb 0.88 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1aab h TYR 70 CO 0.00 1.13 -1.07 0.93 -1.64 0.00 0.00 178.16 177.51 1aab h GLU 71 N 0.42 0.34 -0.48 1.82 4.39 -1.20 -3.07 114.58 116.81 1aab h GLU 71 Ca -0.03 -0.44 0.14 0.00 0.34 0.00 0.00 59.36 59.36 1aab h GLU 71 Cb 1.31 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 30.09 1aab h GLU 71 CO 0.14 1.15 0.34 0.00 -1.16 0.00 0.00 179.01 179.48 1aab h ARG 72 N 0.16 0.00 0.00 2.33 2.47 -1.10 0.59 114.38 118.82 1aab h ARG 72 Ca -0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1aab h ARG 72 Cb 1.74 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.06 1aab h ARG 72 CO 0.18 0.00 -0.79 0.93 0.56 0.00 0.00 179.97 180.85 1aab h GLU 73 N 0.00 0.00 0.00 0.04 5.08 -1.55 -3.32 114.58 114.82 1aab h GLU 73 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1aab h GLU 73 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1aab h GLU 73 CO -0.00 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.68 1aab n MET 74 N -2.21 0.16 0.00 2.33 2.81 0.19 -2.83 117.12 117.58 1aab n MET 74 Ca 0.02 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 1aab n MET 74 Cb 0.46 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 -2.06 0.94 0.00 0.03 5.02 -1.21 -3.47 118.16 117.41 1aab n LYS 75 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1aab n LYS 75 Cb 0.28 -1.39 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 -2.37 -0.52 0.00 0.00 177.40 174.51 1aab n THR 76 N -0.06 0.00 0.00 -0.18 5.66 -1.15 -5.06 114.28 113.49 1aab n THR 76 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1aab n THR 76 Cb 0.19 0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 1aab n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aab n TYR 77 N 0.00 0.00 -3.19 1.09 9.36 -1.13 -4.96 117.16 118.33 1aab n TYR 77 Ca 0.00 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.14 1aab n TYR 77 Cb 0.02 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.73 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 -3.82 -1.01 2.97 -0.00 -1.26 -4.93 119.36 111.31 1aab n ILE 78 Ca 0.00 0.58 -0.29 0.00 -0.00 0.00 0.00 62.75 63.04 1aab n ILE 78 Cb 0.00 -3.69 0.18 0.00 -0.00 0.00 0.00 39.64 36.12 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 -1.42 0.49 0.00 0.38 0.02 -1.26 -5.02 135.00 128.19 1aab s PRO 79 Ca 0.09 0.78 0.00 0.00 0.02 0.00 0.00 61.00 61.89 1aab s PRO 79 Cb -0.01 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.79 1aab s PRO 79 CO 0.29 -2.75 0.00 -0.35 -0.33 0.00 0.00 177.00 173.86 1aab n PRO 80 N -4.23 -0.48 -0.77 5.54 -0.04 -1.26 -4.80 135.00 128.96 1aab n PRO 80 Ca 0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1aab n PRO 80 Cb 0.55 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.00 1aab n PRO 80 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1aab n LYS 81 N -1.03 1.50 -2.16 0.54 2.85 -1.26 -4.66 118.16 113.95 1aab n LYS 81 Ca 0.00 -0.84 -0.04 0.00 -1.05 0.00 0.00 58.31 56.38 1aab n LYS 81 Cb 0.00 -1.41 0.02 0.00 -0.65 0.00 0.00 35.03 32.98 1aab n LYS 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1aab n GLY 82 N 1.15 0.33 0.00 2.58 0.00 -1.26 -5.37 105.19 102.62 1aab n GLY 82 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1aab n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11