#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7e s TRP 2 N 0.00 3.33 0.30 1.61 0.51 -1.26 -5.00 118.94 118.44 1a7e s TRP 2 Ca 0.00 1.42 -0.30 0.00 -2.12 0.00 0.00 56.10 55.10 1a7e s TRP 2 Cb 0.00 -2.84 -0.12 0.00 -0.81 0.00 0.00 33.47 29.70 1a7e s TRP 2 CO 0.00 -0.80 1.48 -1.91 -0.51 0.00 0.00 176.95 175.22 1a7e n GLU 3 N -2.33 2.44 -3.22 4.98 2.13 -1.26 -4.97 120.64 118.41 1a7e n GLU 3 Ca 0.07 0.86 -0.41 0.00 0.66 0.00 0.00 57.16 58.34 1a7e n GLU 3 Cb 0.54 -2.58 -0.08 0.00 0.27 0.00 0.00 31.44 29.59 1a7e n GLU 3 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1a7e s ILE 4 N -0.36 5.01 0.36 6.31 -1.09 -1.26 -5.03 121.20 125.14 1a7e s ILE 4 Ca 0.62 0.51 -0.28 0.00 -2.23 0.00 0.00 60.65 59.27 1a7e s ILE 4 Cb -0.54 -3.95 -0.11 0.00 -1.58 0.00 0.00 42.46 36.28 1a7e s ILE 4 CO 0.53 -0.16 1.44 -2.84 -1.23 0.00 0.00 174.94 172.69 1a7e s PRO 5 N 2.43 4.17 -0.13 2.79 0.02 -1.26 -5.03 135.00 137.99 1a7e s PRO 5 Ca 0.20 2.48 -0.03 0.00 0.02 0.00 0.00 61.00 63.67 1a7e s PRO 5 Cb -0.15 -3.00 0.05 0.00 0.02 0.00 0.00 34.50 31.42 1a7e s PRO 5 CO 0.13 -0.45 0.05 -2.00 -0.33 0.00 0.00 177.00 174.40 1a7e s GLU 6 N -1.94 0.28 0.68 5.54 2.56 -1.26 -3.28 118.70 121.27 1a7e s GLU 6 Ca 0.52 -0.04 -0.17 0.00 0.00 0.00 0.00 54.97 55.29 1a7e s GLU 6 Cb -0.45 -1.48 -0.05 0.00 2.00 0.00 0.00 34.13 34.15 1a7e s GLU 6 CO 0.60 -0.53 0.57 -0.35 -0.56 0.00 0.00 175.26 174.99 1a7e n PRO 7 N 5.20 0.41 -2.48 4.30 -0.04 -1.26 -5.03 135.00 136.10 1a7e n PRO 7 Ca -0.07 0.17 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 1a7e n PRO 7 Cb 0.49 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.08 1a7e n PRO 7 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1a7e s TYR 8 N -1.83 2.44 0.16 0.54 5.04 -1.21 -4.92 117.35 117.58 1a7e s TYR 8 Ca 0.67 -0.69 0.06 0.00 -2.44 0.00 0.00 57.07 54.68 1a7e s TYR 8 Cb -0.38 -4.60 -0.04 0.00 0.35 0.00 0.00 41.96 37.29 1a7e s TYR 8 CO 0.56 -1.88 -0.13 0.14 -1.34 0.00 0.00 175.55 172.90 1a7e s VAL 9 N 5.77 1.44 0.56 3.14 -7.23 -1.26 -4.52 120.40 118.29 1a7e s VAL 9 Ca 0.51 -2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 58.47 1a7e s VAL 9 Cb -0.01 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1a7e s VAL 9 CO -0.06 -0.59 1.14 0.86 -0.31 0.00 0.00 175.10 176.14 1a7e s TRP 10 N -2.85 2.61 0.23 2.82 -0.00 -1.26 -4.83 118.94 115.66 1a7e s TRP 10 Ca 0.17 1.54 0.01 0.00 -0.00 0.00 0.00 56.10 57.81 1a7e s TRP 10 Cb -0.01 -3.32 -0.04 0.00 -0.00 0.00 0.00 33.47 30.11 1a7e s TRP 10 CO 0.04 -1.70 0.17 0.16 -0.00 0.00 0.00 176.95 175.61 1a7e s ASP 11 N -1.79 0.48 0.61 5.86 1.47 -1.26 -5.06 116.67 116.98 1a7e s ASP 11 Ca 0.73 -1.46 0.31 0.00 1.18 0.00 0.00 52.55 53.31 1a7e s ASP 11 Cb -0.25 0.42 1.74 0.00 -0.34 0.00 0.00 42.92 44.49 1a7e s ASP 11 CO 0.29 -0.89 2.08 -0.33 0.68 0.00 0.00 175.17 177.00 1a7e h GLU 12 N 2.51 0.00 0.00 2.11 5.08 -2.00 -1.48 114.58 120.80 1a7e h GLU 12 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1a7e h GLU 12 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1a7e h GLU 12 CO 0.49 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.37 1a7e n SER 13 N -3.53 0.70 -0.18 1.42 3.41 -1.26 -1.82 113.62 112.36 1a7e n SER 13 Ca 0.01 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 1a7e n SER 13 Cb 0.33 -0.83 0.37 0.00 -0.26 0.00 0.00 64.21 63.83 1a7e n SER 13 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1a7e n PHE 14 N -2.28 0.00 -1.69 7.33 3.01 -0.56 -4.98 117.46 118.29 1a7e n PHE 14 Ca 0.02 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.03 1a7e n PHE 14 Cb 0.21 -0.16 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 1a7e n PHE 14 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1a7e n ARG 15 N -0.87 2.25 0.00 -1.08 0.63 -0.75 -4.91 116.66 111.93 1a7e n ARG 15 Ca 0.11 0.81 0.07 0.00 -0.92 0.00 0.00 57.85 57.91 1a7e n ARG 15 Cb 0.34 -2.53 -0.06 0.00 0.45 0.00 0.00 32.46 30.66 1a7e n ARG 15 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1a7e n VAL 16 N 2.48 0.00 -3.20 5.15 0.24 -1.26 -5.02 118.33 116.72 1a7e n VAL 16 Ca 0.13 -0.22 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 1a7e n VAL 16 Cb 0.32 1.06 0.05 0.00 -1.47 0.00 0.00 33.84 33.80 1a7e n VAL 16 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1a7e n PHE 17 N -0.94 -1.85 -3.59 6.34 3.72 -1.26 -4.67 117.46 115.21 1a7e n PHE 17 Ca 0.04 0.65 -0.28 0.00 -0.05 0.00 0.00 57.45 57.81 1a7e n PHE 17 Cb 0.26 -3.59 -0.16 0.00 -0.94 0.00 0.00 39.48 35.05 1a7e n PHE 17 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1a7e s TYR 18 N -3.20 0.39 0.24 1.38 2.02 -1.26 -5.00 117.35 111.91 1a7e s TYR 18 Ca 0.37 -0.71 -0.09 0.00 -0.37 0.00 0.00 57.07 56.28 1a7e s TYR 18 Cb -0.16 -0.87 0.37 0.00 -0.40 0.00 0.00 41.96 40.90 1a7e s TYR 18 CO 0.47 -0.69 1.63 0.93 -1.57 0.00 0.00 175.55 176.31 1a7e h GLU 19 N 8.39 0.06 -0.32 -0.62 4.39 -1.98 0.73 114.58 125.22 1a7e h GLU 19 Ca -0.17 -0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.37 1a7e h GLU 19 Cb 1.07 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1a7e h GLU 19 CO 0.38 0.04 -0.41 1.96 -1.16 0.00 0.00 179.01 179.82 1a7e h GLN 20 N 0.06 0.79 -0.35 2.33 4.20 -1.99 0.41 115.11 120.56 1a7e h GLN 20 Ca 0.38 -0.42 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 1a7e h GLN 20 Cb 0.64 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1a7e h GLN 20 CO -0.69 1.05 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.09 1a7e h LEU 21 N 0.65 0.84 -0.68 1.46 3.38 -1.76 -1.89 115.31 117.30 1a7e h LEU 21 Ca 0.05 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1a7e h LEU 21 Cb 0.97 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1a7e h LEU 21 CO 0.09 1.11 0.18 0.44 0.09 0.00 0.00 178.44 180.35 1a7e h ASP 22 N 0.66 1.03 -0.89 -0.43 3.32 -0.79 -0.30 116.42 119.03 1a7e h ASP 22 Ca 0.06 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.89 1a7e h ASP 22 Cb 0.91 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 1a7e h ASP 22 CO 0.08 0.99 0.59 -0.33 -1.72 0.00 0.00 179.24 178.85 1a7e h GLU 23 N 1.02 1.17 -0.48 3.56 3.07 -0.72 -1.05 114.58 121.14 1a7e h GLU 23 Ca 0.22 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.91 1a7e h GLU 23 Cb 0.35 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1a7e h GLU 23 CO 0.00 0.77 -0.10 0.93 -1.40 0.00 0.00 179.01 179.22 1a7e h GLU 24 N 1.20 0.88 -0.57 2.33 5.08 -1.09 -1.39 114.58 121.02 1a7e h GLU 24 Ca 0.33 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1a7e h GLU 24 Cb -0.14 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1a7e h GLU 24 CO -0.07 0.94 -0.04 0.45 -1.00 0.00 0.00 179.01 179.29 1a7e h HIS 25 N 0.79 1.13 -0.88 4.33 3.86 -0.55 -1.88 115.15 121.95 1a7e h HIS 25 Ca 0.13 -0.21 0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1a7e h HIS 25 Cb 0.61 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 28.74 1a7e h HIS 25 CO 0.04 1.02 0.57 0.87 0.86 0.00 0.00 177.93 181.28 1a7e h LYS 26 N 0.91 1.05 0.00 2.45 1.57 -0.97 -1.45 116.57 120.14 1a7e h LYS 26 Ca 0.16 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1a7e h LYS 26 Cb 0.59 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1a7e h LYS 26 CO 0.04 0.70 -0.27 0.87 -0.57 0.00 0.00 179.45 180.21 1a7e h LYS 27 N 1.08 0.00 0.06 3.15 1.57 -0.74 -1.66 116.57 120.04 1a7e h LYS 27 Ca 0.36 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.87 1a7e h LYS 27 Cb 0.05 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.38 1a7e h LYS 27 CO -0.13 0.27 -1.11 0.82 -0.57 0.00 0.00 179.45 178.72 1a7e h ILE 28 N 0.00 1.29 -0.33 1.86 2.04 -0.65 0.13 117.51 121.85 1a7e h ILE 28 Ca -0.00 -2.35 0.03 0.00 1.00 0.00 0.00 64.86 63.54 1a7e h ILE 28 Cb 0.77 2.57 -0.03 0.00 -0.74 0.00 0.00 36.82 39.39 1a7e h ILE 28 CO 0.04 0.72 0.13 -0.26 0.00 0.00 0.00 178.15 178.77 1a7e h PHE 29 N 0.28 0.24 -0.69 1.37 0.04 -1.12 -1.15 116.94 115.91 1a7e h PHE 29 Ca -0.16 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.64 1a7e h PHE 29 Cb 1.78 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 39.84 1a7e h PHE 29 CO 0.12 0.11 0.45 -0.22 -0.60 0.00 0.00 178.31 178.17 1a7e h LYS 30 N 0.28 0.89 -0.48 1.51 1.63 -1.27 -0.11 116.57 119.02 1a7e h LYS 30 Ca 0.14 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1a7e h LYS 30 Cb 0.10 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 1a7e h LYS 30 CO -0.13 0.59 0.28 0.78 -3.45 0.00 0.00 179.45 177.52 1a7e h GLY 31 N 0.92 0.67 0.72 5.01 0.00 -0.33 0.12 103.07 110.19 1a7e h GLY 31 Ca 0.26 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1a7e h GLY 31 CO -0.06 0.18 -0.09 -2.22 0.00 0.00 0.00 176.54 174.35 1a7e h ILE 32 N 0.56 1.33 -0.81 2.60 2.04 -0.85 -1.89 117.51 120.50 1a7e h ILE 32 Ca 0.19 -1.17 0.15 0.00 1.00 0.00 0.00 64.86 65.04 1a7e h ILE 32 Cb 0.02 1.82 -0.10 0.00 -0.74 0.00 0.00 36.82 37.82 1a7e h ILE 32 CO -0.09 0.34 0.38 0.15 0.00 0.00 0.00 178.15 178.92 1a7e h PHE 33 N -0.07 0.65 -0.48 1.37 3.57 -0.83 0.25 116.94 121.40 1a7e h PHE 33 Ca 0.03 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 1a7e h PHE 33 Cb 0.57 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1a7e h PHE 33 CO 0.07 0.11 -0.19 -0.44 -2.23 0.00 0.00 178.31 175.64 1a7e h ASP 34 N 0.53 1.00 -0.86 0.41 3.32 -0.63 -2.16 116.42 118.04 1a7e h ASP 34 Ca 0.45 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1a7e h ASP 34 Cb 0.68 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1a7e h ASP 34 CO -0.39 1.17 0.48 0.00 -1.72 0.00 0.00 179.24 178.77 1a7e h ILE 36 N 1.20 1.20 0.00 0.00 2.04 -0.71 -2.57 117.51 118.68 1a7e h ILE 36 Ca 0.30 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1a7e h ILE 36 Cb 0.02 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1a7e h ILE 36 CO -0.05 0.23 -0.84 0.08 0.00 0.00 0.00 178.15 177.57 1a7e h ARG 37 N 0.74 0.00 -1.98 2.37 0.11 -1.17 -3.41 114.38 111.04 1a7e h ARG 37 Ca 0.19 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.89 1a7e h ARG 37 Cb 0.12 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 30.89 1a7e h ARG 37 CO -0.02 0.08 -0.69 0.34 0.10 0.00 0.00 179.97 179.78 1a7e s ASP 38 N -5.67 1.24 -1.39 0.08 2.15 0.05 -5.07 116.67 108.06 1a7e s ASP 38 Ca 0.01 -1.60 -0.12 0.00 0.43 0.00 0.00 52.55 51.27 1a7e s ASP 38 Cb 0.08 0.52 0.09 0.00 -0.30 0.00 0.00 42.92 43.31 1a7e s ASP 38 CO 0.77 -0.26 2.11 -3.20 -0.17 0.00 0.00 175.17 174.41 1a7e n ASN 39 N 4.24 4.51 -4.73 -0.34 2.85 -0.97 -4.20 115.26 116.62 1a7e n ASN 39 Ca 0.11 -2.95 -0.23 0.00 -0.11 0.00 0.00 54.58 51.40 1a7e n ASN 39 Cb 0.45 -1.58 -0.06 0.00 1.24 0.00 0.00 39.78 39.83 1a7e n ASN 39 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1a7e s SER 40 N 2.19 4.73 0.12 1.20 1.04 -1.26 -4.19 113.70 117.52 1a7e s SER 40 Ca 0.45 -0.71 -0.16 0.00 0.48 0.00 0.00 55.95 56.00 1a7e s SER 40 Cb 0.12 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.42 1a7e s SER 40 CO -0.05 -0.23 1.61 0.00 0.98 0.00 0.00 173.24 175.55 1a7e h ALA 41 N 1.59 0.47 -0.65 5.32 0.00 -1.91 -1.72 119.26 122.36 1a7e h ALA 41 Ca -0.44 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.40 1a7e h ALA 41 Cb 1.25 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1a7e h ALA 41 CO 0.62 0.15 0.20 -1.35 0.00 0.00 0.00 179.25 178.87 1a7e h PRO 42 N 0.42 0.34 -0.42 0.00 0.11 -1.97 -1.92 132.00 128.57 1a7e h PRO 42 Ca 0.11 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.11 1a7e h PRO 42 Cb 0.31 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1a7e h PRO 42 CO 0.00 0.22 -0.11 -0.91 -0.21 0.00 0.00 178.00 177.00 1a7e h ASN 43 N 0.35 0.74 -0.26 -2.05 2.35 -1.79 -0.11 115.58 114.80 1a7e h ASN 43 Ca 0.35 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1a7e h ASN 43 Cb 0.50 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1a7e h ASN 43 CO -0.39 0.87 -0.05 0.25 -1.65 0.00 0.00 177.43 176.47 1a7e h LEU 44 N 0.68 0.49 -1.14 1.61 5.85 -1.13 -0.71 115.31 120.96 1a7e h LEU 44 Ca 0.12 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 1a7e h LEU 44 Cb 0.58 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1a7e h LEU 44 CO 0.04 0.73 -0.27 0.00 -0.34 0.00 0.00 178.44 178.60 1a7e h ALA 45 N 0.78 1.28 -0.31 1.25 0.00 -1.05 0.25 119.26 121.46 1a7e h ALA 45 Ca 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1a7e h ALA 45 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1a7e h ALA 45 CO 0.02 0.48 0.09 1.15 0.00 0.00 0.00 179.25 181.00 1a7e h THR 46 N 0.24 1.21 -0.89 0.00 2.02 -0.79 -1.29 112.91 113.41 1a7e h THR 46 Ca 0.04 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1a7e h THR 46 Cb 0.60 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1a7e h THR 46 CO 0.04 0.23 0.55 0.25 0.37 0.00 0.00 175.52 176.96 1a7e h LEU 47 N 0.35 1.05 -0.45 2.58 5.85 -0.35 0.49 115.31 124.83 1a7e h LEU 47 Ca 0.10 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1a7e h LEU 47 Cb 0.26 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1a7e h LEU 47 CO -0.00 0.80 0.16 0.58 -0.34 0.00 0.00 178.44 179.64 1a7e h VAL 48 N 1.22 1.21 -0.22 1.05 2.07 -0.61 -1.88 116.25 119.08 1a7e h VAL 48 Ca 0.32 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1a7e h VAL 48 Cb -0.08 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1a7e h VAL 48 CO -0.06 0.25 0.12 0.11 0.02 0.00 0.00 177.57 178.01 1a7e h LYS 49 N 0.59 0.31 -0.39 1.57 1.57 -0.38 -0.84 116.57 118.99 1a7e h LYS 49 Ca 0.15 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 1a7e h LYS 49 Cb 0.23 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1a7e h LYS 49 CO -0.01 0.28 -0.24 -0.39 -0.57 0.00 0.00 179.45 178.52 1a7e h VAL 50 N 0.26 1.27 -0.37 0.50 -1.51 -0.88 -2.04 116.25 113.48 1a7e h VAL 50 Ca 0.08 -1.37 -0.12 0.00 -1.23 0.00 0.00 66.70 64.06 1a7e h VAL 50 Cb 0.06 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.45 1a7e h VAL 50 CO -0.01 0.46 -0.26 0.74 -1.23 0.00 0.00 177.57 177.27 1a7e h THR 51 N 0.69 1.28 -0.17 7.19 2.02 -1.14 -1.18 112.91 121.60 1a7e h THR 51 Ca 0.09 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 1a7e h THR 51 Cb 0.76 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1a7e h THR 51 CO 0.06 0.47 0.10 0.74 0.37 0.00 0.00 175.52 177.25 1a7e h THR 52 N 0.62 1.10 -0.34 3.16 2.02 -1.12 -0.28 112.91 118.07 1a7e h THR 52 Ca 0.07 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.01 1a7e h THR 52 Cb 0.83 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1a7e h THR 52 CO 0.07 0.09 0.17 -1.13 0.37 0.00 0.00 175.52 175.09 1a7e h ASN 53 N 0.18 0.25 -0.40 4.18 -0.73 -1.31 -1.01 115.58 116.75 1a7e h ASN 53 Ca 0.06 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.26 1a7e h ASN 53 Cb 0.06 -0.03 -0.03 0.00 0.27 0.00 0.00 38.32 38.59 1a7e h ASN 53 CO -0.01 0.19 0.24 -0.74 -0.37 0.00 0.00 177.43 176.74 1a7e h HIS 54 N 0.35 0.45 -0.60 0.67 2.76 -0.95 -1.68 115.15 116.15 1a7e h HIS 54 Ca 0.14 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 1a7e h HIS 54 Cb 0.05 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 1a7e h HIS 54 CO -0.10 0.26 0.10 0.74 -1.30 0.00 0.00 177.93 177.64 1a7e h PHE 55 N 0.49 1.06 -0.55 5.26 0.04 -0.73 -0.07 116.94 122.43 1a7e h PHE 55 Ca 0.16 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1a7e h PHE 55 Cb -0.00 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.83 1a7e h PHE 55 CO -0.07 0.92 0.32 1.15 -0.60 0.00 0.00 178.31 180.02 1a7e h THR 56 N 0.91 1.17 -0.20 -1.55 2.02 -1.09 -1.13 112.91 113.04 1a7e h THR 56 Ca 0.18 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1a7e h THR 56 Cb 0.43 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1a7e h THR 56 CO 0.01 0.18 -0.01 -0.74 0.37 0.00 0.00 175.52 175.33 1a7e h HIS 57 N 0.74 0.40 -0.77 3.16 -0.00 -1.05 -0.18 115.15 117.46 1a7e h HIS 57 Ca 0.20 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.46 1a7e h HIS 57 Cb 0.02 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.29 1a7e h HIS 57 CO -0.02 0.57 0.37 1.49 -0.00 0.00 0.00 177.93 180.34 1a7e h GLU 58 N 0.12 1.10 -0.12 5.26 4.81 -0.93 -1.96 114.58 122.85 1a7e h GLU 58 Ca 0.06 -0.15 -0.16 0.00 -0.13 0.00 0.00 59.36 58.97 1a7e h GLU 58 Cb 0.42 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1a7e h GLU 58 CO 0.01 0.84 -0.60 0.93 -0.73 0.00 0.00 179.01 179.47 1a7e h GLU 59 N 1.09 0.41 -0.73 1.92 5.08 -1.10 -1.10 114.58 120.14 1a7e h GLU 59 Ca 0.26 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1a7e h GLU 59 Cb 0.11 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1a7e h GLU 59 CO -0.03 0.89 0.27 0.00 -1.00 0.00 0.00 179.01 179.14 1a7e h ALA 60 N 1.05 0.95 -0.34 3.43 0.00 -0.63 -0.83 119.26 122.89 1a7e h ALA 60 Ca -0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1a7e h ALA 60 Cb 1.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1a7e h ALA 60 CO 0.10 0.59 -0.31 0.52 0.00 0.00 0.00 179.25 180.16 1a7e h MET 61 N 1.06 0.73 -0.40 0.00 2.86 -1.21 -0.55 114.93 117.41 1a7e h MET 61 Ca 0.24 -0.33 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 1a7e h MET 61 Cb 0.24 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1a7e h MET 61 CO -0.02 0.94 -0.07 0.52 1.06 0.00 0.00 176.91 179.34 1a7e h MET 62 N 0.62 0.76 -0.68 1.72 2.07 -0.96 -2.17 114.93 116.29 1a7e h MET 62 Ca 0.07 -0.28 -0.05 0.00 -2.07 0.00 0.00 59.70 57.37 1a7e h MET 62 Cb 0.83 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 30.48 1a7e h MET 62 CO 0.07 0.88 0.23 -0.44 1.07 0.00 0.00 176.91 178.72 1a7e h ASP 63 N 0.57 0.97 -0.05 1.22 3.32 -1.11 -0.63 116.42 120.72 1a7e h ASP 63 Ca 0.10 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1a7e h ASP 63 Cb 0.59 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1a7e h ASP 63 CO 0.04 0.91 -0.11 0.00 -1.72 0.00 0.00 179.24 178.36 1a7e h ALA 64 N 1.10 1.44 -0.00 3.45 0.00 -1.00 -1.29 119.26 122.96 1a7e h ALA 64 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a7e h ALA 64 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1a7e h ALA 64 CO -0.01 0.39 -0.12 0.00 0.00 0.00 0.00 179.25 179.51 1a7e n ALA 65 N -2.49 2.70 -3.94 0.00 0.00 -0.82 -4.91 120.51 111.05 1a7e n ALA 65 Ca -0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 1a7e n ALA 65 Cb 0.27 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1a7e n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a7e n LYS 66 N -1.33 -4.31 -2.04 0.00 5.02 -0.49 -4.92 118.16 110.09 1a7e n LYS 66 Ca 0.10 0.51 -0.42 0.00 -2.02 0.00 0.00 58.31 56.47 1a7e n LYS 66 Cb 0.31 -5.07 -0.03 0.00 -0.02 0.00 0.00 35.03 30.22 1a7e n LYS 66 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1a7e s TYR 67 N -3.57 2.58 -1.31 2.13 5.04 -0.32 -4.89 117.35 117.01 1a7e s TYR 67 Ca 0.34 0.51 0.28 0.00 -2.44 0.00 0.00 57.07 55.75 1a7e s TYR 67 Cb -0.18 -3.85 1.33 0.00 0.35 0.00 0.00 41.96 39.62 1a7e s TYR 67 CO 0.86 -3.32 1.93 -1.13 -1.34 0.00 0.00 175.55 172.55 1a7e n SER 68 N 5.54 0.00 -1.33 4.32 3.41 -1.26 -2.42 113.62 121.88 1a7e n SER 68 Ca 0.15 0.06 0.07 0.00 -0.26 0.00 0.00 58.87 58.89 1a7e n SER 68 Cb 0.42 -0.35 0.32 0.00 -0.26 0.00 0.00 64.21 64.34 1a7e n SER 68 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a7e n GLU 69 N -1.35 3.68 0.20 4.33 1.02 -1.26 -4.62 120.64 122.63 1a7e n GLU 69 Ca 0.11 -2.99 0.04 0.00 -0.02 0.00 0.00 57.16 54.30 1a7e n GLU 69 Cb 0.25 -2.03 0.41 0.00 -0.02 0.00 0.00 31.44 30.05 1a7e n GLU 69 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1a7e h VAL 70 N 2.64 1.16 0.05 2.62 3.04 -1.86 -3.15 116.25 120.77 1a7e h VAL 70 Ca 0.02 -1.12 -0.21 0.00 -1.01 0.00 0.00 66.70 64.38 1a7e h VAL 70 Cb 1.70 1.62 0.02 0.00 -2.01 0.00 0.00 31.29 32.62 1a7e h VAL 70 CO 0.36 0.31 -0.85 -0.37 -1.01 0.00 0.00 177.57 176.02 1a7e h VAL 71 N 0.00 1.39 -0.19 1.51 -1.51 -1.86 -0.14 116.25 115.44 1a7e h VAL 71 Ca -0.00 -2.27 -0.05 0.00 -1.23 0.00 0.00 66.70 63.14 1a7e h VAL 71 Cb 0.59 2.70 -0.01 0.00 -2.13 0.00 0.00 31.29 32.44 1a7e h VAL 71 CO 0.04 0.67 -0.11 1.55 -1.23 0.00 0.00 177.57 178.49 1a7e h PRO 72 N -0.00 0.30 -0.11 5.19 0.13 -1.94 -2.33 132.00 133.23 1a7e h PRO 72 Ca -0.12 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1a7e h PRO 72 Cb 1.56 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.65 1a7e h PRO 72 CO 0.16 0.42 0.05 1.25 -0.23 0.00 0.00 178.00 179.66 1a7e h HIS 73 N 0.28 0.17 -0.74 1.56 2.76 -1.48 -2.06 115.15 115.64 1a7e h HIS 73 Ca 0.06 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1a7e h HIS 73 Cb 0.38 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 1a7e h HIS 73 CO 0.01 0.23 0.49 0.87 -1.30 0.00 0.00 177.93 178.22 1a7e h LYS 74 N 0.06 0.80 -0.50 5.26 1.57 -0.62 -1.34 116.57 121.79 1a7e h LYS 74 Ca 0.04 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1a7e h LYS 74 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1a7e h LYS 74 CO -0.00 0.53 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.05 1a7e h LYS 75 N 0.82 0.97 -0.47 3.15 1.63 -1.17 0.01 116.57 121.52 1a7e h LYS 75 Ca 0.31 -0.38 0.07 0.00 -0.85 0.00 0.00 60.65 59.81 1a7e h LYS 75 Cb 0.19 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.71 1a7e h LYS 75 CO -0.10 1.05 0.12 0.52 -3.45 0.00 0.00 179.45 177.58 1a7e h MET 76 N 0.83 0.25 -0.31 1.90 2.86 -0.73 -0.18 114.93 119.56 1a7e h MET 76 Ca 0.13 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1a7e h MET 76 Cb 0.69 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1a7e h MET 76 CO 0.05 0.17 0.16 0.45 1.06 0.00 0.00 176.91 178.80 1a7e h HIS 77 N 0.26 0.30 -0.63 -0.22 3.86 -0.95 -1.97 115.15 115.80 1a7e h HIS 77 Ca 0.23 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1a7e h HIS 77 Cb 0.29 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1a7e h HIS 77 CO -0.20 0.17 0.41 -0.22 0.86 0.00 0.00 177.93 178.95 1a7e h LYS 78 N 0.34 0.84 -0.44 2.45 3.64 -0.53 -1.33 116.57 121.54 1a7e h LYS 78 Ca 0.12 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1a7e h LYS 78 Cb 0.03 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1a7e h LYS 78 CO -0.08 0.57 -0.14 -0.44 -2.27 0.00 0.00 179.45 177.10 1a7e h ASP 79 N 0.86 0.82 -0.18 4.20 3.32 -0.85 -1.06 116.42 123.53 1a7e h ASP 79 Ca 0.23 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 1a7e h ASP 79 Cb -0.08 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.25 1a7e h ASP 79 CO -0.05 0.96 -0.40 0.15 -1.72 0.00 0.00 179.24 178.19 1a7e h PHE 80 N 0.73 0.75 -0.39 4.55 3.57 -1.13 -1.85 116.94 123.18 1a7e h PHE 80 Ca 0.12 -0.28 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 1a7e h PHE 80 Cb 0.64 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1a7e h PHE 80 CO 0.03 1.03 0.10 -0.07 -2.23 0.00 0.00 178.31 177.18 1a7e h LEU 81 N 0.26 0.52 -0.61 0.59 3.38 -1.11 -0.66 115.31 117.68 1a7e h LEU 81 Ca 0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1a7e h LEU 81 Cb 1.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1a7e h LEU 81 CO 0.09 0.52 0.15 -0.08 0.09 0.00 0.00 178.44 179.21 1a7e h GLU 82 N 0.56 0.97 0.78 1.13 4.81 -1.07 0.15 114.58 121.91 1a7e h GLU 82 Ca 0.13 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1a7e h GLU 82 Cb 0.20 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.46 1a7e h GLU 82 CO -0.00 0.89 -0.37 -0.22 -0.73 0.00 0.00 179.01 178.57 1a7e h LYS 83 N 0.89 -1.01 0.00 1.92 1.63 -0.77 -2.74 116.57 116.49 1a7e h LYS 83 Ca 0.19 0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.95 1a7e h LYS 83 Cb 0.35 0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 1a7e h LYS 83 CO 0.00 -0.66 -0.54 -0.84 -3.45 0.00 0.00 179.45 173.95 1a7e h ILE 84 N -1.25 1.26 0.00 2.00 3.07 -1.16 -1.11 117.51 120.32 1a7e h ILE 84 Ca -0.11 -1.95 0.00 0.00 1.55 0.00 0.00 64.86 64.35 1a7e h ILE 84 Cb 0.81 2.09 0.00 0.00 -0.27 0.00 0.00 36.82 39.45 1a7e h ILE 84 CO 0.18 0.53 0.00 1.23 -1.05 0.00 0.00 178.15 179.04 1a7e h GLY 85 N 1.96 0.00 -0.84 0.16 0.00 -0.77 -2.45 103.07 101.13 1a7e h GLY 85 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1a7e h GLY 85 CO 0.07 0.00 -0.38 0.61 0.00 0.00 0.00 176.54 176.84 1a7e n GLY 86 N -0.29 0.01 3.88 4.60 0.00 -0.43 -4.97 105.19 107.98 1a7e n GLY 86 Ca 0.01 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1a7e n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a7e s LEU 87 N -2.43 3.04 0.01 0.99 1.43 -0.92 -5.09 118.68 115.71 1a7e s LEU 87 Ca 0.21 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 1a7e s LEU 87 Cb 0.19 -4.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 1a7e s LEU 87 CO 0.53 -1.16 -0.02 -0.94 0.23 0.00 0.00 176.35 175.00 1a7e s SER 88 N -4.27 0.16 0.54 2.29 1.04 -1.26 -5.06 113.70 107.14 1a7e s SER 88 Ca 0.57 -0.25 -0.20 0.00 0.48 0.00 0.00 55.95 56.55 1a7e s SER 88 Cb -0.11 0.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 1a7e s SER 88 CO 0.53 -0.14 1.16 0.00 0.98 0.00 0.00 173.24 175.77 1a7e s ALA 89 N -0.72 2.70 0.17 5.32 0.00 -1.26 -3.49 121.76 124.48 1a7e s ALA 89 Ca -0.08 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 1a7e s ALA 89 Cb -0.05 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1a7e s ALA 89 CO -0.00 -0.87 1.04 -1.25 0.00 0.00 0.00 175.76 174.67 1a7e s PRO 90 N -3.21 4.66 0.06 0.00 0.04 -1.26 -4.89 135.00 130.41 1a7e s PRO 90 Ca 0.73 1.62 -0.31 0.00 0.04 0.00 0.00 61.00 63.08 1a7e s PRO 90 Cb -0.27 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 30.91 1a7e s PRO 90 CO 0.30 0.18 1.33 0.08 0.04 0.00 0.00 177.00 178.93 1a7e s VAL 91 N -0.34 3.64 0.87 -0.36 1.01 -1.23 -4.98 120.40 119.01 1a7e s VAL 91 Ca 0.47 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.48 1a7e s VAL 91 Cb -0.27 -3.73 0.11 0.00 0.00 0.00 0.00 36.38 32.49 1a7e s VAL 91 CO 0.33 0.06 1.10 1.51 0.00 0.00 0.00 175.10 178.10 1a7e s ASP 92 N 1.31 3.64 0.37 3.32 1.47 -1.26 -4.73 116.67 120.79 1a7e s ASP 92 Ca 0.62 1.71 0.13 0.00 1.18 0.00 0.00 52.55 56.20 1a7e s ASP 92 Cb -0.33 -2.36 0.95 0.00 -0.34 0.00 0.00 42.92 40.84 1a7e s ASP 92 CO 0.29 -2.57 1.82 0.00 0.68 0.00 0.00 175.17 175.39 1a7e h ALA 93 N -1.50 2.00 -0.47 2.11 0.00 -1.99 -1.22 119.26 118.20 1a7e h ALA 93 Ca -0.47 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1a7e h ALA 93 Cb 1.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1a7e h ALA 93 CO 0.51 -0.33 -0.09 -0.22 0.00 0.00 0.00 179.25 179.13 1a7e h LYS 94 N 0.55 0.90 0.00 0.00 1.63 -1.99 -1.74 116.57 115.92 1a7e h LYS 94 Ca 0.52 -0.33 -0.16 0.00 -0.85 0.00 0.00 60.65 59.83 1a7e h LYS 94 Cb 1.09 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 1a7e h LYS 94 CO -0.26 0.98 -0.76 -0.91 -3.45 0.00 0.00 179.45 175.04 1a7e h ASN 95 N 0.74 0.00 -0.28 4.20 2.35 -1.63 0.04 115.58 121.00 1a7e h ASN 95 Ca 0.12 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1a7e h ASN 95 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1a7e h ASN 95 CO 0.04 0.76 -0.01 0.58 -1.65 0.00 0.00 177.43 177.15 1a7e h VAL 96 N 0.00 1.26 -0.59 2.81 2.07 -1.22 -1.68 116.25 118.90 1a7e h VAL 96 Ca -0.01 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1a7e h VAL 96 Cb 1.54 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1a7e h VAL 96 CO 0.10 0.30 0.16 0.44 0.02 0.00 0.00 177.57 178.60 1a7e h ASP 97 N 0.29 0.87 -0.41 0.57 3.32 -1.18 -1.23 116.42 118.65 1a7e h ASP 97 Ca 0.08 -0.22 0.09 0.00 0.02 0.00 0.00 57.03 57.00 1a7e h ASP 97 Cb 0.44 -0.23 -0.09 0.00 0.22 0.00 0.00 39.33 39.68 1a7e h ASP 97 CO 0.02 0.86 -0.24 0.22 -1.72 0.00 0.00 179.24 178.38 1a7e h TYR 98 N 0.84 -0.63 -0.62 4.55 3.20 -0.81 -0.41 116.97 123.09 1a7e h TYR 98 Ca 0.19 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 1a7e h TYR 98 Cb 0.31 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 1a7e h TYR 98 CO 0.02 -0.32 0.23 0.00 -1.64 0.00 0.00 178.16 176.46 1a7e h LYS 100 N 0.87 0.47 -0.27 0.00 1.57 -0.80 -1.42 116.57 117.00 1a7e h LYS 100 Ca 0.21 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1a7e h LYS 100 Cb 0.23 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1a7e h LYS 100 CO -0.01 0.34 0.04 1.49 -0.57 0.00 0.00 179.45 180.73 1a7e h GLU 101 N 0.46 0.45 -0.12 3.15 4.57 -0.96 -2.95 114.58 119.17 1a7e h GLU 101 Ca 0.13 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1a7e h GLU 101 Cb -0.02 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1a7e h GLU 101 CO -0.03 0.58 0.02 2.35 -1.18 0.00 0.00 179.01 180.76 1a7e h TRP 102 N 0.26 0.21 -0.18 0.92 7.01 -0.81 -0.62 115.95 122.74 1a7e h TRP 102 Ca 0.08 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.08 1a7e h TRP 102 Cb 0.35 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 1a7e h TRP 102 CO 0.02 0.38 0.03 -0.97 -2.79 0.00 0.00 178.44 175.11 1a7e h ASN 103 N -0.01 0.01 -0.11 2.65 -1.24 -1.30 0.83 115.58 116.41 1a7e h ASN 103 Ca 0.04 0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.10 1a7e h ASN 103 Cb 0.28 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 1a7e h ASN 103 CO 0.00 0.03 -0.02 0.58 -1.29 0.00 0.00 177.43 176.74 1a7e h VAL 104 N 0.11 0.90 -0.18 2.57 2.07 -1.43 -2.03 116.25 118.26 1a7e h VAL 104 Ca 0.08 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.50 1a7e h VAL 104 Cb 0.07 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1a7e h VAL 104 CO -0.11 0.00 -0.31 -1.13 0.02 0.00 0.00 177.57 176.04 1a7e h ASN 105 N 0.02 0.36 -0.03 0.57 -0.73 -0.94 -2.21 115.58 112.61 1a7e h ASN 105 Ca 0.05 -0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.08 1a7e h ASN 105 Cb 0.07 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.56 1a7e h ASN 105 CO -0.10 0.66 -0.03 -0.74 -0.37 0.00 0.00 177.43 176.85 1a7e h HIS 106 N 0.31 0.09 0.35 0.67 2.76 -0.66 0.28 115.15 118.95 1a7e h HIS 106 Ca 0.04 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1a7e h HIS 106 Cb 0.71 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1a7e h HIS 106 CO 0.02 0.54 -0.18 0.82 -1.30 0.00 0.00 177.93 177.83 1a7e h ILE 107 N -0.39 0.62 0.00 6.26 2.04 -1.29 0.86 117.51 125.61 1a7e h ILE 107 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 1a7e h ILE 107 Cb 0.53 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1a7e h ILE 107 CO 0.01 0.00 -0.67 0.11 0.00 0.00 0.00 178.15 177.59 1a7e h LYS 108 N -0.49 0.00 0.00 2.37 1.57 -1.48 -0.72 116.57 117.82 1a7e h LYS 108 Ca -0.04 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.49 1a7e h LYS 108 Cb 0.39 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1a7e h LYS 108 CO 0.07 0.67 -1.99 0.41 -0.57 0.00 0.00 179.45 178.04 1a7e n GLY 109 N 0.57 -1.05 0.89 3.86 0.00 0.09 -4.35 105.19 105.20 1a7e n GLY 109 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1a7e n GLY 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a7e n THR 110 N -2.75 0.00 0.18 2.61 -1.04 0.14 -4.70 114.28 108.73 1a7e n THR 110 Ca -0.20 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.86 1a7e n THR 110 Cb 0.97 -1.37 0.52 0.00 -1.82 0.00 0.00 70.33 68.64 1a7e n THR 110 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1a7e h ASP 111 N 0.00 0.11 0.28 8.00 3.32 -0.58 -2.45 116.42 125.10 1a7e h ASP 111 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1a7e h ASP 111 Cb 0.99 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1a7e h ASP 111 CO 0.00 0.17 0.00 -0.26 -1.72 0.00 0.00 179.24 177.43 1a7e h PHE 112 N 0.13 0.00 0.00 4.55 -1.00 -1.34 -1.96 116.94 117.31 1a7e h PHE 112 Ca 0.03 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1a7e h PHE 112 Cb 0.15 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 1a7e h PHE 112 CO 0.00 0.00 -0.06 0.87 -1.61 0.00 0.00 178.31 177.51 1a7e h LYS 113 N 0.00 0.00 -0.38 1.51 1.57 -1.71 -2.18 116.57 115.37 1a7e h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a7e h LYS 113 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1a7e h LYS 113 CO 0.00 0.06 0.00 2.48 -0.57 0.00 0.00 179.45 181.42 1a7e n TYR 114 N -3.45 0.50 -1.68 -1.35 0.18 -0.74 -4.89 117.16 105.74 1a7e n TYR 114 Ca -0.02 -0.25 -0.46 0.00 1.88 0.00 0.00 57.90 59.05 1a7e n TYR 114 Cb 0.20 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.12 1a7e n TYR 114 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1a7e n LYS 115 N 1.10 2.39 -1.00 -3.48 5.02 -0.82 -0.52 118.16 120.86 1a7e n LYS 115 Ca 0.18 0.87 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 1a7e n LYS 115 Cb 0.50 -2.74 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 1a7e n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a7e n GLY 116 N 4.28 0.41 0.26 0.72 0.00 -1.26 -4.88 105.19 104.72 1a7e n GLY 116 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.28 1a7e n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a7e n LYS 117 N -2.21 1.86 0.00 1.61 4.76 0.33 -5.27 118.16 119.24 1a7e n LYS 117 Ca 0.00 -0.68 0.08 0.00 -2.87 0.00 0.00 58.31 54.83 1a7e n LYS 117 Cb 0.10 -1.11 0.06 0.00 -1.84 0.00 0.00 35.03 32.24 1a7e n LYS 117 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31