#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7d s TRP 2 N 0.00 2.45 0.26 1.61 0.51 -1.26 -4.97 118.94 117.54 1a7d s TRP 2 Ca 0.00 1.47 -0.30 0.00 -2.12 0.00 0.00 56.10 55.15 1a7d s TRP 2 Cb 0.00 -3.09 -0.11 0.00 -0.81 0.00 0.00 33.47 29.46 1a7d s TRP 2 CO 0.00 -2.03 1.58 -2.00 -0.51 0.00 0.00 176.95 173.99 1a7d s GLU 3 N -4.90 4.16 -0.27 4.98 2.12 -1.26 -4.97 118.70 118.55 1a7d s GLU 3 Ca 0.62 2.51 -0.20 0.00 0.36 0.00 0.00 54.97 58.26 1a7d s GLU 3 Cb -0.18 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 1a7d s GLU 3 CO 0.56 -0.61 0.64 0.42 -0.54 0.00 0.00 175.26 175.73 1a7d s ILE 4 N 0.27 4.96 0.34 -3.70 -1.09 -1.26 -5.03 121.20 115.69 1a7d s ILE 4 Ca 0.65 1.04 -0.29 0.00 -2.23 0.00 0.00 60.65 59.82 1a7d s ILE 4 Cb -0.47 -3.96 -0.11 0.00 -1.58 0.00 0.00 42.46 36.34 1a7d s ILE 4 CO 0.43 -0.04 1.53 -2.84 -1.23 0.00 0.00 174.94 172.79 1a7d s PRO 5 N 2.56 4.12 -0.17 2.79 0.02 -1.26 -5.03 135.00 138.03 1a7d s PRO 5 Ca 0.26 2.56 -0.02 0.00 0.02 0.00 0.00 61.00 63.82 1a7d s PRO 5 Cb -0.15 -3.00 0.05 0.00 0.02 0.00 0.00 34.50 31.42 1a7d s PRO 5 CO 0.10 -0.57 0.02 -2.00 -0.33 0.00 0.00 177.00 174.22 1a7d s GLU 6 N -1.35 0.75 0.88 5.54 2.56 -1.26 -3.34 118.70 122.48 1a7d s GLU 6 Ca 0.57 -0.36 -0.13 0.00 0.00 0.00 0.00 54.97 55.06 1a7d s GLU 6 Cb -0.47 -1.92 0.06 0.00 2.00 0.00 0.00 34.13 33.81 1a7d s GLU 6 CO 0.56 -0.56 0.78 -0.35 -0.56 0.00 0.00 175.26 175.12 1a7d n PRO 7 N 5.04 -0.16 -2.60 4.30 -0.04 -1.26 -5.03 135.00 135.25 1a7d n PRO 7 Ca -0.09 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.97 1a7d n PRO 7 Cb 0.48 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 1a7d n PRO 7 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1a7d s TYR 8 N -2.33 2.63 0.06 0.54 5.04 -1.21 -4.93 117.35 117.15 1a7d s TYR 8 Ca 0.64 -1.00 0.03 0.00 -2.44 0.00 0.00 57.07 54.29 1a7d s TYR 8 Cb -0.25 -4.66 -0.03 0.00 0.35 0.00 0.00 41.96 37.37 1a7d s TYR 8 CO 0.60 -1.87 -0.09 0.14 -1.34 0.00 0.00 175.55 172.99 1a7d s VAL 9 N 4.62 0.69 0.63 3.14 -7.23 -1.26 -4.60 120.40 116.39 1a7d s VAL 9 Ca 0.46 -1.36 -0.17 0.00 -1.81 0.00 0.00 61.98 59.10 1a7d s VAL 9 Cb -0.00 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 35.95 1a7d s VAL 9 CO -0.08 -0.49 1.15 0.86 -0.31 0.00 0.00 175.10 176.23 1a7d s TRP 10 N -1.97 2.48 0.20 2.82 -0.00 -1.26 -4.83 118.94 116.38 1a7d s TRP 10 Ca -0.03 1.55 -0.03 0.00 -0.00 0.00 0.00 56.10 57.60 1a7d s TRP 10 Cb -0.06 -3.31 -0.03 0.00 -0.00 0.00 0.00 33.47 30.07 1a7d s TRP 10 CO -0.00 -1.93 0.18 0.16 -0.00 0.00 0.00 176.95 175.36 1a7d s ASP 11 N -2.11 0.12 0.67 5.86 1.47 -1.26 -5.06 116.67 116.37 1a7d s ASP 11 Ca 0.72 -1.28 0.44 0.00 1.18 0.00 0.00 52.55 53.61 1a7d s ASP 11 Cb -0.25 0.41 2.41 0.00 -0.34 0.00 0.00 42.92 45.15 1a7d s ASP 11 CO 0.37 -0.88 2.36 -0.33 0.68 0.00 0.00 175.17 177.38 1a7d h GLU 12 N 2.59 0.00 0.00 2.11 5.08 -2.00 -0.99 114.58 121.36 1a7d h GLU 12 Ca -0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1a7d h GLU 12 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1a7d h GLU 12 CO 0.51 0.00 -0.02 0.66 -1.00 0.00 0.00 179.01 179.16 1a7d h SER 13 N 0.00 0.00 0.20 1.42 4.64 -2.02 -2.39 113.55 115.39 1a7d h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a7d h SER 13 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1a7d h SER 13 CO 0.00 0.02 -0.12 0.49 -0.87 0.00 0.00 176.83 176.35 1a7d n PHE 14 N -3.31 0.00 -1.70 4.77 3.72 -0.38 -4.98 117.46 115.58 1a7d n PHE 14 Ca -0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 1a7d n PHE 14 Cb 0.14 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 1a7d n PHE 14 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1a7d n ARG 15 N -0.57 2.30 0.00 -1.08 0.63 -0.90 -4.93 116.66 112.10 1a7d n ARG 15 Ca 0.15 0.81 0.06 0.00 -0.92 0.00 0.00 57.85 57.96 1a7d n ARG 15 Cb 0.31 -2.50 0.01 0.00 0.45 0.00 0.00 32.46 30.72 1a7d n ARG 15 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1a7d n VAL 16 N 1.66 0.00 -3.35 5.15 0.24 -1.26 -5.02 118.33 115.74 1a7d n VAL 16 Ca 0.09 -0.39 -0.18 0.00 -2.04 0.00 0.00 64.34 61.81 1a7d n VAL 16 Cb 0.34 1.15 0.07 0.00 -1.47 0.00 0.00 33.84 33.93 1a7d n VAL 16 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1a7d n PHE 17 N -0.10 -2.24 -3.48 6.34 3.72 -1.26 -4.70 117.46 115.74 1a7d n PHE 17 Ca 0.05 0.82 -0.22 0.00 -0.05 0.00 0.00 57.45 58.05 1a7d n PHE 17 Cb 0.26 -4.34 -0.12 0.00 -0.94 0.00 0.00 39.48 34.33 1a7d n PHE 17 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1a7d s TYR 18 N -3.27 -0.14 0.19 1.38 2.02 -1.26 -4.98 117.35 111.30 1a7d s TYR 18 Ca 0.38 -0.31 -0.15 0.00 -0.37 0.00 0.00 57.07 56.62 1a7d s TYR 18 Cb -0.17 -0.59 0.17 0.00 -0.40 0.00 0.00 41.96 40.98 1a7d s TYR 18 CO 0.59 -0.80 1.65 0.93 -1.57 0.00 0.00 175.55 176.35 1a7d h GLU 19 N 8.33 0.00 -0.06 -0.62 4.39 -1.98 0.12 114.58 124.75 1a7d h GLU 19 Ca -0.16 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 1a7d h GLU 19 Cb 1.08 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1a7d h GLU 19 CO 0.35 0.00 -0.40 1.96 -1.16 0.00 0.00 179.01 179.76 1a7d h GLN 20 N 0.00 0.14 -0.09 2.33 4.20 -1.98 0.04 115.11 119.75 1a7d h GLN 20 Ca 0.25 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.70 1a7d h GLN 20 Cb 0.39 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1a7d h GLN 20 CO -0.54 0.52 -0.77 -0.07 -0.67 0.00 0.00 178.83 177.31 1a7d h LEU 21 N 0.12 0.61 -0.42 1.46 3.38 -1.68 -0.19 115.31 118.59 1a7d h LEU 21 Ca 0.01 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 1a7d h LEU 21 Cb 0.77 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1a7d h LEU 21 CO 0.06 1.17 -0.02 0.44 0.09 0.00 0.00 178.44 180.18 1a7d h ASP 22 N 0.34 0.74 -0.68 -0.43 3.32 -0.59 0.86 116.42 119.98 1a7d h ASP 22 Ca -0.04 -0.32 -0.07 0.00 0.02 0.00 0.00 57.03 56.62 1a7d h ASP 22 Cb 1.36 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1a7d h ASP 22 CO 0.14 0.88 0.18 -0.33 -1.72 0.00 0.00 179.24 178.39 1a7d h GLU 23 N 0.59 1.09 -0.71 3.56 3.07 -0.89 -0.17 114.58 121.13 1a7d h GLU 23 Ca 0.12 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1a7d h GLU 23 Cb 0.52 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 1a7d h GLU 23 CO 0.03 0.96 0.45 0.93 -1.40 0.00 0.00 179.01 179.98 1a7d h GLU 24 N 1.04 0.94 -0.34 2.33 5.08 -0.71 -1.26 114.58 121.65 1a7d h GLU 24 Ca 0.22 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1a7d h GLU 24 Cb 0.35 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1a7d h GLU 24 CO 0.00 0.64 0.16 0.45 -1.00 0.00 0.00 179.01 179.26 1a7d h HIS 25 N 0.96 0.50 -0.84 4.33 3.86 -0.21 -2.22 115.15 121.53 1a7d h HIS 25 Ca 0.26 -0.03 0.14 0.00 -1.16 0.00 0.00 60.37 59.58 1a7d h HIS 25 Cb -0.08 -0.15 -0.09 0.00 1.06 0.00 0.00 27.41 28.14 1a7d h HIS 25 CO -0.02 0.44 0.43 0.87 0.86 0.00 0.00 177.93 180.50 1a7d h LYS 26 N 0.41 0.60 0.00 2.45 1.57 -0.73 -1.85 116.57 119.03 1a7d h LYS 26 Ca 0.12 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1a7d h LYS 26 Cb 0.13 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1a7d h LYS 26 CO -0.01 0.40 -0.40 0.87 -0.57 0.00 0.00 179.45 179.73 1a7d h LYS 27 N 0.62 0.00 -0.09 3.15 1.57 -0.66 -1.92 116.57 119.24 1a7d h LYS 27 Ca 0.45 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.02 1a7d h LYS 27 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1a7d h LYS 27 CO -0.36 0.40 -0.80 0.82 -0.57 0.00 0.00 179.45 178.95 1a7d h ILE 28 N 0.00 1.34 -0.24 1.86 2.04 -0.88 0.17 117.51 121.80 1a7d h ILE 28 Ca -0.00 -2.12 0.04 0.00 1.00 0.00 0.00 64.86 63.77 1a7d h ILE 28 Cb 0.80 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 1a7d h ILE 28 CO 0.05 0.65 0.03 -0.26 0.00 0.00 0.00 178.15 178.62 1a7d h PHE 29 N 0.38 0.04 -0.82 1.37 0.04 -1.11 -1.47 116.94 115.38 1a7d h PHE 29 Ca -0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1a7d h PHE 29 Cb 1.41 0.02 -0.04 0.00 2.20 0.00 0.00 35.95 39.53 1a7d h PHE 29 CO 0.07 -0.00 0.48 -0.22 -0.60 0.00 0.00 178.31 178.03 1a7d h LYS 30 N 0.11 1.12 -0.41 1.51 1.63 -1.27 0.51 116.57 119.78 1a7d h LYS 30 Ca 0.11 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1a7d h LYS 30 Cb 0.12 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1a7d h LYS 30 CO -0.16 0.81 0.27 0.78 -3.45 0.00 0.00 179.45 177.70 1a7d h GLY 31 N 1.13 0.58 0.90 5.01 0.00 -0.21 0.91 103.07 111.39 1a7d h GLY 31 Ca 0.29 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 1a7d h GLY 31 CO -0.05 0.21 -0.07 -2.22 0.00 0.00 0.00 176.54 174.41 1a7d h ILE 32 N 0.56 1.28 -0.69 2.60 2.04 -0.96 -1.28 117.51 121.06 1a7d h ILE 32 Ca 0.15 -1.10 0.12 0.00 1.00 0.00 0.00 64.86 65.03 1a7d h ILE 32 Cb -0.06 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 1a7d h ILE 32 CO -0.03 0.35 0.28 0.15 0.00 0.00 0.00 178.15 178.90 1a7d h PHE 33 N 0.37 0.48 -0.30 1.37 3.57 -0.58 0.14 116.94 121.99 1a7d h PHE 33 Ca 0.08 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1a7d h PHE 33 Cb 0.55 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1a7d h PHE 33 CO 0.05 0.10 -0.24 -0.44 -2.23 0.00 0.00 178.31 175.54 1a7d h ASP 34 N 0.45 0.73 -0.48 0.41 3.32 -0.68 -1.96 116.42 118.21 1a7d h ASP 34 Ca 0.36 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 56.98 1a7d h ASP 34 Cb 0.49 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1a7d h ASP 34 CO -0.35 1.03 0.32 0.00 -1.72 0.00 0.00 179.24 178.52 1a7d h ILE 36 N 0.61 1.22 0.00 0.00 2.04 -0.39 -2.98 117.51 118.01 1a7d h ILE 36 Ca 0.18 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1a7d h ILE 36 Cb -0.01 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1a7d h ILE 36 CO -0.04 0.24 -0.63 0.08 0.00 0.00 0.00 178.15 177.80 1a7d h ARG 37 N 0.29 0.00 -2.08 2.37 0.11 -0.87 -3.40 114.38 110.78 1a7d h ARG 37 Ca 0.09 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.79 1a7d h ARG 37 Cb 0.30 0.00 -0.33 0.00 1.11 0.00 0.00 29.97 31.05 1a7d h ARG 37 CO 0.00 0.00 -0.68 0.34 0.10 0.00 0.00 179.97 179.73 1a7d s ASP 38 N -5.68 1.53 -1.20 0.08 2.15 0.97 -5.06 116.67 109.46 1a7d s ASP 38 Ca 0.02 -1.33 -0.06 0.00 0.43 0.00 0.00 52.55 51.61 1a7d s ASP 38 Cb 0.08 0.45 0.22 0.00 -0.30 0.00 0.00 42.92 43.37 1a7d s ASP 38 CO 0.75 -0.31 1.79 -3.20 -0.17 0.00 0.00 175.17 174.02 1a7d n ASN 39 N 4.63 6.04 -4.82 -0.34 2.85 -1.13 -4.15 115.26 118.35 1a7d n ASN 39 Ca 0.06 -3.26 -0.23 0.00 -0.11 0.00 0.00 54.58 51.04 1a7d n ASN 39 Cb 0.45 -1.37 -0.05 0.00 1.24 0.00 0.00 39.78 40.05 1a7d n ASN 39 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1a7d s SER 40 N -0.31 5.52 0.20 1.20 1.04 -1.26 -4.15 113.70 115.94 1a7d s SER 40 Ca 0.38 -0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.49 1a7d s SER 40 Cb 0.10 -1.42 0.19 0.00 0.10 0.00 0.00 66.02 64.99 1a7d s SER 40 CO 0.02 -0.01 1.81 0.00 0.98 0.00 0.00 173.24 176.05 1a7d h ALA 41 N 1.77 0.81 -0.48 5.32 0.00 -1.91 -2.00 119.26 122.77 1a7d h ALA 41 Ca -0.48 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1a7d h ALA 41 Cb 1.23 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1a7d h ALA 41 CO 0.61 0.05 0.24 -1.35 0.00 0.00 0.00 179.25 178.81 1a7d h PRO 42 N 0.67 0.47 -0.26 0.00 0.11 -1.97 -1.91 132.00 129.11 1a7d h PRO 42 Ca 0.27 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 1a7d h PRO 42 Cb 0.12 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1a7d h PRO 42 CO -0.15 0.31 -0.31 -0.91 -0.21 0.00 0.00 178.00 176.73 1a7d h ASN 43 N 0.48 0.56 -0.38 -2.05 2.35 -1.82 0.16 115.58 114.88 1a7d h ASN 43 Ca 0.21 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1a7d h ASN 43 Cb 0.12 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1a7d h ASN 43 CO -0.15 0.85 0.11 0.25 -1.65 0.00 0.00 177.43 176.83 1a7d h LEU 44 N 0.47 0.57 -0.85 1.61 5.85 -1.17 0.45 115.31 122.24 1a7d h LEU 44 Ca 0.06 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 1a7d h LEU 44 Cb 0.78 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1a7d h LEU 44 CO 0.06 0.64 -0.14 0.00 -0.34 0.00 0.00 178.44 178.67 1a7d h ALA 45 N 0.95 1.03 -0.74 1.25 0.00 -0.89 -0.16 119.26 120.70 1a7d h ALA 45 Ca 0.12 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1a7d h ALA 45 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1a7d h ALA 45 CO -0.00 0.59 0.26 1.15 0.00 0.00 0.00 179.25 181.24 1a7d h THR 46 N 0.64 1.26 -0.75 0.00 2.02 -0.44 0.72 112.91 116.36 1a7d h THR 46 Ca 0.11 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1a7d h THR 46 Cb 0.60 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1a7d h THR 46 CO 0.04 0.34 0.47 0.25 0.37 0.00 0.00 175.52 176.99 1a7d h LEU 47 N 1.08 0.89 -0.49 2.58 5.85 -0.04 0.77 115.31 125.95 1a7d h LEU 47 Ca 0.24 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1a7d h LEU 47 Cb 0.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1a7d h LEU 47 CO -0.01 0.67 0.06 0.58 -0.34 0.00 0.00 178.44 179.40 1a7d h VAL 48 N 1.02 1.25 -0.23 1.05 2.07 -0.30 -1.46 116.25 119.65 1a7d h VAL 48 Ca 0.27 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1a7d h VAL 48 Cb -0.06 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1a7d h VAL 48 CO -0.05 0.34 0.13 0.11 0.02 0.00 0.00 177.57 178.11 1a7d h LYS 49 N 0.69 0.32 -0.09 1.57 1.57 -0.19 -0.73 116.57 119.72 1a7d h LYS 49 Ca 0.15 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 1a7d h LYS 49 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1a7d h LYS 49 CO 0.01 0.29 -0.61 -0.39 -0.57 0.00 0.00 179.45 178.19 1a7d h VAL 50 N 0.26 1.38 -0.31 0.50 -1.51 -0.70 -1.83 116.25 114.04 1a7d h VAL 50 Ca 0.08 -1.97 -0.14 0.00 -1.23 0.00 0.00 66.70 63.44 1a7d h VAL 50 Cb 0.07 1.98 -0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1a7d h VAL 50 CO -0.01 0.59 -0.36 0.74 -1.23 0.00 0.00 177.57 177.29 1a7d h THR 51 N 0.22 1.29 -0.70 7.19 2.02 -1.14 -1.26 112.91 120.53 1a7d h THR 51 Ca -0.01 -1.54 -0.04 0.00 0.77 0.00 0.00 66.41 65.59 1a7d h THR 51 Cb 1.12 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 69.05 1a7d h THR 51 CO 0.10 0.50 0.26 0.74 0.37 0.00 0.00 175.52 177.49 1a7d h THR 52 N 0.56 1.25 -0.24 3.16 2.02 -0.99 -1.17 112.91 117.51 1a7d h THR 52 Ca 0.04 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1a7d h THR 52 Cb 0.95 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1a7d h THR 52 CO 0.09 0.32 0.09 -1.13 0.37 0.00 0.00 175.52 175.25 1a7d h ASN 53 N 1.01 0.33 -0.37 4.18 -1.24 -1.27 -0.90 115.58 117.32 1a7d h ASN 53 Ca 0.23 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1a7d h ASN 53 Cb 0.24 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1a7d h ASN 53 CO -0.02 0.42 0.25 -0.74 -1.29 0.00 0.00 177.43 176.05 1a7d h HIS 54 N 0.22 0.47 -0.69 0.67 2.76 -0.86 -2.03 115.15 115.70 1a7d h HIS 54 Ca 0.08 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.19 1a7d h HIS 54 Cb 0.20 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1a7d h HIS 54 CO -0.01 0.30 0.17 0.74 -1.30 0.00 0.00 177.93 177.84 1a7d h PHE 55 N 0.51 1.16 -0.73 5.26 0.04 -0.99 -0.20 116.94 121.98 1a7d h PHE 55 Ca 0.14 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1a7d h PHE 55 Cb -0.05 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 37.74 1a7d h PHE 55 CO -0.05 0.95 0.39 1.15 -0.60 0.00 0.00 178.31 180.15 1a7d h THR 56 N 1.04 1.23 -0.23 -1.55 2.02 -0.92 -1.25 112.91 113.26 1a7d h THR 56 Ca 0.22 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 1a7d h THR 56 Cb 0.37 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1a7d h THR 56 CO 0.00 0.26 -0.02 -0.74 0.37 0.00 0.00 175.52 175.39 1a7d h HIS 57 N 1.02 0.46 -0.54 3.16 -0.00 -0.80 -1.02 115.15 117.43 1a7d h HIS 57 Ca 0.26 -0.09 -0.07 0.00 -0.00 0.00 0.00 60.37 60.46 1a7d h HIS 57 Cb 0.06 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 1a7d h HIS 57 CO 0.00 0.62 0.04 1.49 -0.00 0.00 0.00 177.93 180.08 1a7d h GLU 58 N 0.17 0.89 -0.46 5.26 4.81 -0.93 -1.26 114.58 123.05 1a7d h GLU 58 Ca 0.06 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 58.96 1a7d h GLU 58 Cb 0.45 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1a7d h GLU 58 CO 0.02 0.86 -0.09 0.93 -0.73 0.00 0.00 179.01 180.00 1a7d h GLU 59 N 0.83 0.83 -0.87 1.92 5.08 -1.09 -0.99 114.58 120.29 1a7d h GLU 59 Ca 0.16 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1a7d h GLU 59 Cb 0.44 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1a7d h GLU 59 CO 0.02 0.89 0.47 0.00 -1.00 0.00 0.00 179.01 179.39 1a7d h ALA 60 N 1.14 1.12 -0.18 3.43 0.00 -0.66 0.68 119.26 124.79 1a7d h ALA 60 Ca 0.13 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1a7d h ALA 60 Cb 0.59 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1a7d h ALA 60 CO 0.04 0.63 -0.68 0.52 0.00 0.00 0.00 179.25 179.76 1a7d h MET 61 N 1.22 0.71 -0.51 0.00 2.86 -0.92 -0.37 114.93 117.91 1a7d h MET 61 Ca 0.31 -0.52 -0.13 0.00 -2.06 0.00 0.00 59.70 57.30 1a7d h MET 61 Cb 0.04 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1a7d h MET 61 CO -0.05 1.14 -0.18 0.52 1.06 0.00 0.00 176.91 179.41 1a7d h MET 62 N 0.51 1.02 -0.39 1.72 2.07 -0.93 -1.38 114.93 117.55 1a7d h MET 62 Ca -0.02 -0.42 -0.09 0.00 -2.07 0.00 0.00 59.70 57.10 1a7d h MET 62 Cb 1.28 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.95 1a7d h MET 62 CO 0.14 1.10 -0.09 -0.44 1.07 0.00 0.00 176.91 178.68 1a7d h ASP 63 N 0.89 0.75 -0.88 1.22 3.32 -0.82 -0.06 116.42 120.84 1a7d h ASP 63 Ca 0.12 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1a7d h ASP 63 Cb 0.76 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1a7d h ASP 63 CO 0.06 0.94 0.56 0.00 -1.72 0.00 0.00 179.24 179.08 1a7d h ALA 64 N 0.84 1.12 0.00 3.45 0.00 -0.99 -1.95 119.26 121.73 1a7d h ALA 64 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a7d h ALA 64 Cb 0.61 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1a7d h ALA 64 CO 0.04 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1a7d n ALA 65 N -2.36 2.29 -3.71 0.00 0.00 -0.53 -4.89 120.51 111.31 1a7d n ALA 65 Ca 0.09 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 1a7d n ALA 65 Cb 0.04 -1.42 0.06 0.00 0.00 0.00 0.00 19.45 18.13 1a7d n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a7d n LYS 66 N -1.31 -6.84 -2.10 0.00 4.01 -0.73 -4.92 118.16 106.27 1a7d n LYS 66 Ca 0.12 0.74 -0.42 0.00 -0.51 0.00 0.00 58.31 58.23 1a7d n LYS 66 Cb 0.22 -5.70 -0.03 0.00 -0.51 0.00 0.00 35.03 29.01 1a7d n LYS 66 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1a7d s TYR 67 N -3.34 2.43 -1.75 2.13 5.04 -0.11 -4.88 117.35 116.87 1a7d s TYR 67 Ca 0.54 0.49 0.30 0.00 -2.44 0.00 0.00 57.07 55.97 1a7d s TYR 67 Cb -0.25 -3.81 1.56 0.00 0.35 0.00 0.00 41.96 39.81 1a7d s TYR 67 CO 0.77 -3.20 2.05 -1.13 -1.34 0.00 0.00 175.55 172.70 1a7d n SER 68 N 6.21 0.21 -1.52 4.32 3.41 -1.26 -2.20 113.62 122.79 1a7d n SER 68 Ca 0.15 -0.63 -0.01 0.00 -0.26 0.00 0.00 58.87 58.12 1a7d n SER 68 Cb 0.43 -0.12 0.28 0.00 -0.26 0.00 0.00 64.21 64.54 1a7d n SER 68 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a7d n GLU 69 N -1.02 3.17 0.03 4.33 1.02 -1.26 -4.66 120.64 122.25 1a7d n GLU 69 Ca 0.18 -3.04 -0.05 0.00 -0.02 0.00 0.00 57.16 54.22 1a7d n GLU 69 Cb 0.21 -2.04 0.15 0.00 -0.02 0.00 0.00 31.44 29.74 1a7d n GLU 69 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1a7d h VAL 70 N 2.13 1.31 0.27 2.62 3.04 -1.83 -3.22 116.25 120.57 1a7d h VAL 70 Ca 0.18 -1.58 -0.01 0.00 -1.01 0.00 0.00 66.70 64.27 1a7d h VAL 70 Cb 1.95 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 32.87 1a7d h VAL 70 CO 0.52 0.49 -0.13 0.58 -1.01 0.00 0.00 177.57 178.02 1a7d h VAL 71 N 0.36 0.77 -0.11 1.51 2.07 -1.85 0.73 116.25 119.72 1a7d h VAL 71 Ca 0.03 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1a7d h VAL 71 Cb 0.89 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1a7d h VAL 71 CO 0.07 0.10 -0.03 1.55 0.02 0.00 0.00 177.57 179.28 1a7d h PRO 72 N -0.61 0.15 -0.21 1.57 0.13 -1.95 -2.61 132.00 128.47 1a7d h PRO 72 Ca -0.04 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1a7d h PRO 72 Cb 0.44 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1a7d h PRO 72 CO 0.06 0.20 0.00 1.25 -0.23 0.00 0.00 178.00 179.29 1a7d h HIS 73 N 0.15 0.40 -1.00 1.56 2.76 -1.46 -1.82 115.15 115.74 1a7d h HIS 73 Ca 0.04 -0.07 0.10 0.00 -2.20 0.00 0.00 60.37 58.24 1a7d h HIS 73 Cb 0.17 -0.10 -0.08 0.00 1.55 0.00 0.00 27.41 28.95 1a7d h HIS 73 CO 0.00 0.55 0.64 0.87 -1.30 0.00 0.00 177.93 178.69 1a7d h LYS 74 N 0.13 1.02 -0.78 5.26 1.57 -0.56 -1.70 116.57 121.51 1a7d h LYS 74 Ca 0.06 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1a7d h LYS 74 Cb 0.39 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1a7d h LYS 74 CO 0.01 0.68 0.31 -0.22 -0.57 0.00 0.00 179.45 179.66 1a7d h LYS 75 N 1.06 1.17 -0.39 3.15 3.11 -1.10 0.73 116.57 124.30 1a7d h LYS 75 Ca 0.47 -0.21 0.02 0.00 -2.81 0.00 0.00 60.65 58.12 1a7d h LYS 75 Cb 0.37 -0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.39 1a7d h LYS 75 CO -0.23 0.95 0.21 0.52 -2.81 0.00 0.00 179.45 178.10 1a7d h MET 76 N 1.14 0.42 -0.19 1.90 2.86 -0.49 -1.47 114.93 119.10 1a7d h MET 76 Ca 0.26 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1a7d h MET 76 Cb 0.22 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1a7d h MET 76 CO -0.02 0.28 0.11 0.45 1.06 0.00 0.00 176.91 178.79 1a7d h HIS 77 N 0.43 0.24 -0.50 -0.22 3.86 -0.89 -1.98 115.15 116.09 1a7d h HIS 77 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1a7d h HIS 77 Cb 0.03 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1a7d h HIS 77 CO -0.08 0.18 0.33 -0.22 0.86 0.00 0.00 177.93 179.00 1a7d h LYS 78 N 0.23 0.66 -0.67 2.45 3.64 -0.58 -1.01 116.57 121.29 1a7d h LYS 78 Ca 0.07 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1a7d h LYS 78 Cb 0.01 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1a7d h LYS 78 CO -0.01 0.45 0.21 -0.44 -2.27 0.00 0.00 179.45 177.38 1a7d h ASP 79 N 0.68 0.96 -0.32 4.20 3.32 -1.18 -1.41 116.42 122.65 1a7d h ASP 79 Ca 0.18 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1a7d h ASP 79 Cb -0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1a7d h ASP 79 CO -0.04 0.89 -0.23 0.15 -1.72 0.00 0.00 179.24 178.30 1a7d h PHE 80 N 0.99 0.85 -0.34 4.55 3.57 -0.80 -1.78 116.94 123.97 1a7d h PHE 80 Ca 0.22 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1a7d h PHE 80 Cb 0.28 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1a7d h PHE 80 CO 0.02 0.97 -0.00 -0.07 -2.23 0.00 0.00 178.31 177.00 1a7d h LEU 81 N 0.49 0.50 -0.50 0.59 3.38 -0.98 0.03 115.31 118.82 1a7d h LEU 81 Ca 0.06 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1a7d h LEU 81 Cb 0.78 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1a7d h LEU 81 CO 0.06 0.57 0.01 -0.08 0.09 0.00 0.00 178.44 179.10 1a7d h GLU 82 N 0.51 0.88 0.49 1.13 4.81 -1.19 0.32 114.58 121.53 1a7d h GLU 82 Ca 0.11 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 1a7d h GLU 82 Cb 0.33 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1a7d h GLU 82 CO 0.01 0.90 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.74 1a7d h LYS 83 N 0.74 -0.63 0.00 1.92 3.64 -0.70 -2.23 116.57 119.31 1a7d h LYS 83 Ca 0.14 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1a7d h LYS 83 Cb 0.50 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1a7d h LYS 83 CO 0.02 -0.35 -0.34 -0.84 -2.27 0.00 0.00 179.45 175.67 1a7d h ILE 84 N -1.08 1.18 0.00 2.00 3.07 -1.06 -1.19 117.51 120.43 1a7d h ILE 84 Ca -0.07 -1.19 -0.02 0.00 1.55 0.00 0.00 64.86 65.13 1a7d h ILE 84 Cb 0.57 1.65 -0.00 0.00 -0.27 0.00 0.00 36.82 38.77 1a7d h ILE 84 CO 0.11 0.33 -0.11 1.23 -1.05 0.00 0.00 178.15 178.67 1a7d h GLY 85 N 1.12 0.00 1.35 0.16 0.00 -0.40 -2.56 103.07 102.73 1a7d h GLY 85 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a7d h GLY 85 CO 0.04 0.00 -0.34 0.61 0.00 0.00 0.00 176.54 176.86 1a7d n GLY 86 N -1.02 -1.35 3.86 4.60 0.00 -0.47 -4.95 105.19 105.87 1a7d n GLY 86 Ca -0.02 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 1a7d n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a7d s LEU 87 N -3.09 3.18 0.04 0.99 1.43 -0.97 -5.09 118.68 115.17 1a7d s LEU 87 Ca 0.12 1.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.68 1a7d s LEU 87 Cb 0.18 -4.43 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 1a7d s LEU 87 CO 0.64 -1.03 -0.08 -0.94 0.23 0.00 0.00 176.35 175.17 1a7d s SER 88 N -4.11 0.94 0.49 2.29 1.04 -1.26 -5.07 113.70 108.02 1a7d s SER 88 Ca 0.56 -0.50 -0.21 0.00 0.48 0.00 0.00 55.95 56.28 1a7d s SER 88 Cb -0.12 0.01 -0.08 0.00 0.10 0.00 0.00 66.02 65.94 1a7d s SER 88 CO 0.54 -0.15 1.08 0.00 0.98 0.00 0.00 173.24 175.69 1a7d s ALA 89 N -1.19 2.86 0.19 5.32 0.00 -1.26 -3.53 121.76 124.14 1a7d s ALA 89 Ca -0.07 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 1a7d s ALA 89 Cb -0.09 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 1a7d s ALA 89 CO 0.01 -0.47 1.13 -1.25 0.00 0.00 0.00 175.76 175.17 1a7d s PRO 90 N -3.09 4.57 0.09 0.00 0.04 -1.26 -4.90 135.00 130.45 1a7d s PRO 90 Ca 0.67 1.77 -0.31 0.00 0.04 0.00 0.00 61.00 63.18 1a7d s PRO 90 Cb -0.21 -3.26 -0.07 0.00 0.04 0.00 0.00 34.50 31.01 1a7d s PRO 90 CO 0.25 0.04 1.31 0.08 0.04 0.00 0.00 177.00 178.71 1a7d s VAL 91 N -0.26 3.62 0.85 -0.36 1.01 -1.23 -4.99 120.40 119.03 1a7d s VAL 91 Ca 0.50 1.16 -0.11 0.00 0.00 0.00 0.00 61.98 63.53 1a7d s VAL 91 Cb -0.31 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.43 1a7d s VAL 91 CO 0.36 0.09 1.09 1.51 0.00 0.00 0.00 175.10 178.15 1a7d s ASP 92 N 1.08 3.83 0.41 3.32 -4.77 -1.26 -4.73 116.67 114.55 1a7d s ASP 92 Ca 0.62 1.70 0.07 0.00 -3.30 0.00 0.00 52.55 51.64 1a7d s ASP 92 Cb -0.34 -2.37 0.84 0.00 -1.09 0.00 0.00 42.92 39.97 1a7d s ASP 92 CO 0.30 -2.44 2.04 0.00 0.70 0.00 0.00 175.17 175.77 1a7d h ALA 93 N -1.41 1.68 -0.37 2.11 0.00 -1.99 -0.13 119.26 119.15 1a7d h ALA 93 Ca -0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1a7d h ALA 93 Cb 1.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1a7d h ALA 93 CO 0.52 0.28 0.21 -0.22 0.00 0.00 0.00 179.25 180.04 1a7d h LYS 94 N 0.53 0.52 -0.02 0.00 3.64 -1.99 -0.54 116.57 118.71 1a7d h LYS 94 Ca 0.14 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 1a7d h LYS 94 Cb -0.02 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1a7d h LYS 94 CO -0.03 0.42 -0.82 -0.91 -2.27 0.00 0.00 179.45 175.85 1a7d h ASN 95 N 0.48 0.34 -0.51 4.20 2.35 -1.71 0.37 115.58 121.10 1a7d h ASN 95 Ca 0.13 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1a7d h ASN 95 Cb 0.05 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1a7d h ASN 95 CO -0.02 1.02 0.22 0.58 -1.65 0.00 0.00 177.43 177.59 1a7d h VAL 96 N 0.17 1.20 -0.83 2.81 2.07 -0.95 -1.29 116.25 119.43 1a7d h VAL 96 Ca -0.04 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1a7d h VAL 96 Cb 1.42 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1a7d h VAL 96 CO 0.13 0.23 0.39 0.44 0.02 0.00 0.00 177.57 178.78 1a7d h ASP 97 N 0.67 1.10 -0.24 0.57 3.32 -0.81 -0.98 116.42 120.05 1a7d h ASP 97 Ca 0.17 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1a7d h ASP 97 Cb 0.16 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1a7d h ASP 97 CO -0.02 0.94 0.09 0.22 -1.72 0.00 0.00 179.24 178.75 1a7d h TYR 98 N 1.19 0.16 -0.74 4.55 5.03 -0.67 -1.20 116.97 125.29 1a7d h TYR 98 Ca 0.29 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.57 1a7d h TYR 98 Cb 0.14 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.35 1a7d h TYR 98 CO 0.02 0.08 0.30 0.00 -1.32 0.00 0.00 178.16 177.23 1a7d h LYS 100 N 1.06 0.61 -0.40 0.00 1.57 -0.75 -2.30 116.57 116.37 1a7d h LYS 100 Ca 0.25 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1a7d h LYS 100 Cb 0.20 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1a7d h LYS 100 CO -0.02 0.50 0.13 1.49 -0.57 0.00 0.00 179.45 180.97 1a7d h GLU 101 N 0.56 0.62 -0.14 3.15 4.57 -1.11 -3.11 114.58 119.12 1a7d h GLU 101 Ca 0.15 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1a7d h GLU 101 Cb 0.07 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1a7d h GLU 101 CO -0.02 0.62 0.07 2.35 -1.18 0.00 0.00 179.01 180.84 1a7d h TRP 102 N 0.50 0.20 -0.05 0.92 7.01 -0.35 -1.31 115.95 122.87 1a7d h TRP 102 Ca 0.13 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.14 1a7d h TRP 102 Cb 0.26 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1a7d h TRP 102 CO 0.01 0.25 -0.05 1.25 -2.79 0.00 0.00 178.44 177.11 1a7d h LEU 103 N 0.10 -0.17 -0.05 0.65 5.85 -1.49 0.25 115.31 120.44 1a7d h LEU 103 Ca 0.05 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1a7d h LEU 103 Cb 0.13 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1a7d h LEU 103 CO -0.01 -0.08 -0.08 0.58 -0.34 0.00 0.00 178.44 178.52 1a7d h VAL 104 N -0.07 0.79 -0.25 1.05 2.07 -1.46 -1.35 116.25 117.03 1a7d h VAL 104 Ca 0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1a7d h VAL 104 Cb 0.13 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1a7d h VAL 104 CO -0.09 0.00 -0.24 -1.13 0.02 0.00 0.00 177.57 176.12 1a7d h ASN 105 N -0.11 0.48 -0.04 0.57 -1.24 -1.09 -2.12 115.58 112.03 1a7d h ASN 105 Ca 0.05 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 56.89 1a7d h ASN 105 Cb 0.18 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.10 1a7d h ASN 105 CO -0.12 0.72 -0.03 -0.74 -1.29 0.00 0.00 177.43 175.97 1a7d h HIS 106 N 0.42 0.12 0.03 0.67 2.76 -0.20 0.09 115.15 119.04 1a7d h HIS 106 Ca 0.06 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1a7d h HIS 106 Cb 0.65 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.59 1a7d h HIS 106 CO 0.02 0.51 -0.02 0.82 -1.30 0.00 0.00 177.93 177.97 1a7d h ILE 107 N -0.31 1.13 0.00 6.26 2.04 -1.20 0.63 117.51 126.05 1a7d h ILE 107 Ca 0.01 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.28 1a7d h ILE 107 Cb 0.48 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1a7d h ILE 107 CO 0.01 0.13 -0.43 0.11 0.00 0.00 0.00 178.15 177.97 1a7d h LYS 108 N -0.27 0.00 0.00 2.37 1.57 -1.45 0.25 116.57 119.05 1a7d h LYS 108 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a7d h LYS 108 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1a7d h LYS 108 CO 0.01 0.34 -1.74 0.41 -0.57 0.00 0.00 179.45 177.90 1a7d n GLY 109 N 1.20 -1.08 1.33 3.86 0.00 0.02 -4.35 105.19 106.17 1a7d n GLY 109 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1a7d n GLY 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a7d n THR 110 N -2.27 0.03 0.19 2.61 -1.04 0.07 -4.75 114.28 109.12 1a7d n THR 110 Ca -0.03 0.01 0.05 0.00 -2.04 0.00 0.00 64.05 62.04 1a7d n THR 110 Cb 0.55 -1.17 0.50 0.00 -1.82 0.00 0.00 70.33 68.39 1a7d n THR 110 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1a7d h ASP 111 N 0.00 0.10 0.03 8.00 3.32 -0.62 -2.11 116.42 125.13 1a7d h ASP 111 Ca 0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1a7d h ASP 111 Cb 0.64 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1a7d h ASP 111 CO 0.00 0.20 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.46 1a7d h PHE 112 N 0.10 0.00 0.00 4.55 -1.00 -1.16 -1.74 116.94 117.70 1a7d h PHE 112 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1a7d h PHE 112 Cb 0.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1a7d h PHE 112 CO 0.00 0.00 0.00 0.87 -1.61 0.00 0.00 178.31 177.57 1a7d h LYS 113 N 0.00 0.00 -0.36 1.51 1.57 -1.67 -2.19 116.57 115.43 1a7d h LYS 113 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a7d h LYS 113 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1a7d h LYS 113 CO 0.00 0.00 0.00 2.48 -0.57 0.00 0.00 179.45 181.36 1a7d n TYR 114 N -3.06 0.47 -1.67 -1.35 0.18 -0.65 -4.89 117.16 106.19 1a7d n TYR 114 Ca -0.00 -0.23 -0.47 0.00 1.88 0.00 0.00 57.90 59.07 1a7d n TYR 114 Cb 0.23 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.15 1a7d n TYR 114 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1a7d n LYS 115 N 1.06 2.15 -1.01 -3.48 5.02 -0.83 -0.25 118.16 120.82 1a7d n LYS 115 Ca 0.18 0.78 -0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1a7d n LYS 115 Cb 0.49 -2.57 -0.00 0.00 -0.02 0.00 0.00 35.03 32.93 1a7d n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a7d n GLY 116 N 3.68 0.31 0.20 0.72 0.00 -1.26 -4.86 105.19 103.98 1a7d n GLY 116 Ca 0.19 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1a7d n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a7d n LYS 117 N -1.28 2.28 0.00 1.61 4.76 0.65 -5.27 118.16 120.91 1a7d n LYS 117 Ca -0.00 -0.53 0.09 0.00 -2.87 0.00 0.00 58.31 55.00 1a7d n LYS 117 Cb 0.23 -1.08 0.07 0.00 -1.84 0.00 0.00 35.03 32.41 1a7d n LYS 117 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31