#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf8 n SER 10 N 0.00 2.51 -4.47 1.08 3.41 -1.26 -4.81 113.62 110.07 3cf8 n SER 10 Ca 0.00 -0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 3cf8 n SER 10 Cb 0.00 -0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 63.62 3cf8 n SER 10 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3cf8 s GLN 11 N -2.20 3.62 -0.06 4.33 0.74 -1.26 -3.41 119.66 121.42 3cf8 s GLN 11 Ca -0.14 -0.55 0.04 0.00 0.05 0.00 0.00 55.36 54.77 3cf8 s GLN 11 Cb 0.04 -2.88 -0.00 0.00 1.10 0.00 0.00 33.01 31.27 3cf8 s GLN 11 CO 0.22 0.23 -0.20 -0.06 -0.55 0.00 0.00 175.29 174.93 3cf8 s PHE 12 N 0.39 2.04 0.61 1.67 0.40 -0.27 -4.99 117.98 117.83 3cf8 s PHE 12 Ca -0.05 -0.69 0.06 0.00 -0.60 0.00 0.00 56.93 55.65 3cf8 s PHE 12 Cb -0.14 -1.38 0.09 0.00 0.51 0.00 0.00 43.02 42.10 3cf8 s PHE 12 CO 0.03 -0.26 0.84 -0.06 0.70 0.00 0.00 175.22 176.47 3cf8 s PHE 13 N 0.17 1.62 0.35 0.36 0.40 -1.26 -0.43 117.98 119.19 3cf8 s PHE 13 Ca -0.09 -0.53 0.05 0.00 -0.60 0.00 0.00 56.93 55.76 3cf8 s PHE 13 Cb -0.14 -2.49 0.71 0.00 0.51 0.00 0.00 43.02 41.60 3cf8 s PHE 13 CO 0.04 -1.27 1.93 0.97 0.70 0.00 0.00 175.22 177.60 3cf8 h ILE 14 N -0.01 0.99 -0.76 0.64 6.09 -1.91 -0.72 117.51 121.83 3cf8 h ILE 14 Ca -0.33 -0.28 0.13 0.00 -1.37 0.00 0.00 64.86 63.01 3cf8 h ILE 14 Cb 1.28 0.12 -0.09 0.00 0.47 0.00 0.00 36.82 38.60 3cf8 h ILE 14 CO 0.41 0.15 0.34 -0.08 -3.07 0.00 0.00 178.15 175.90 3cf8 h GLU 15 N 0.81 0.51 0.08 2.19 4.57 -1.94 -0.79 114.58 120.00 3cf8 h GLU 15 Ca 0.36 -0.03 -0.26 0.00 -1.18 0.00 0.00 59.36 58.25 3cf8 h GLU 15 Cb 0.34 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3cf8 h GLU 15 CO -0.13 0.34 -1.13 0.45 -1.18 0.00 0.00 179.01 177.35 3cf8 h HIS 16 N 0.53 0.64 -0.62 0.92 3.86 -1.54 -3.27 115.15 115.68 3cf8 h HIS 16 Ca 0.40 -0.41 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3cf8 h HIS 16 Cb 0.56 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.95 3cf8 h HIS 16 CO -0.13 1.27 0.12 0.82 0.86 0.00 0.00 177.93 180.87 3cf8 h ILE 17 N 0.17 1.25 0.00 2.45 2.04 -0.99 -2.60 117.51 119.83 3cf8 h ILE 17 Ca -0.13 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 3cf8 h ILE 17 Cb 1.81 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3cf8 h ILE 17 CO 0.20 0.35 -0.10 -0.07 0.00 0.00 0.00 178.15 178.53 3cf8 h LEU 18 N 0.93 0.00 0.00 1.44 3.38 -1.21 -1.51 115.31 118.34 3cf8 h LEU 18 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3cf8 h LEU 18 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3cf8 h LEU 18 CO 0.01 0.10 -0.68 0.00 0.09 0.00 0.00 178.44 177.95 3cf8 n GLN 19 N -3.64 0.20 -0.11 1.13 6.02 -0.99 -4.43 117.38 115.56 3cf8 n GLN 19 Ca -0.02 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.79 3cf8 n GLN 19 Cb 0.22 -1.61 -0.08 0.00 1.02 0.00 0.00 30.24 29.79 3cf8 n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3cf8 n ILE 20 N -1.89 1.23 -3.06 5.09 2.08 -1.03 -4.40 119.36 117.39 3cf8 n ILE 20 Ca 0.04 -0.34 -0.39 0.00 0.56 0.00 0.00 62.75 62.61 3cf8 n ILE 20 Cb 0.41 -1.70 -0.06 0.00 -0.75 0.00 0.00 39.64 37.54 3cf8 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3cf8 s LEU 21 N -7.03 4.56 0.31 1.39 1.43 -0.60 -4.82 118.68 113.93 3cf8 s LEU 21 Ca -0.31 1.54 0.26 0.00 -1.03 0.00 0.00 54.13 54.59 3cf8 s LEU 21 Cb 0.11 -3.23 0.74 0.00 0.03 0.00 0.00 46.19 43.84 3cf8 s LEU 21 CO 0.41 0.21 1.74 1.55 0.23 0.00 0.00 176.35 180.49 3cf8 h PRO 22 N 4.29 0.00 -6.73 1.29 0.13 -1.88 -3.43 132.00 125.67 3cf8 h PRO 22 Ca -0.48 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 3cf8 h PRO 22 Cb 1.21 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.44 3cf8 h PRO 22 CO 0.65 0.00 0.54 0.72 -0.23 0.00 0.00 178.00 179.68 3cf8 n HIS 23 N -2.58 2.30 -4.30 1.56 8.25 -1.26 -5.03 115.22 114.17 3cf8 n HIS 23 Ca 0.04 0.53 -0.18 0.00 -0.26 0.00 0.00 57.72 57.85 3cf8 n HIS 23 Cb 0.42 -2.43 -0.09 0.00 1.12 0.00 0.00 29.99 29.01 3cf8 n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3cf8 s ARG 24 N -1.64 1.59 0.25 -0.41 1.81 -1.26 -4.68 118.95 114.61 3cf8 s ARG 24 Ca 0.57 -1.91 -0.31 0.00 -1.72 0.00 0.00 55.73 52.36 3cf8 s ARG 24 Cb -0.57 0.09 -0.13 0.00 -0.45 0.00 0.00 34.95 33.88 3cf8 s ARG 24 CO 0.60 -0.51 1.44 0.98 -0.68 0.00 0.00 175.30 177.13 3cf8 n TYR 25 N -0.55 2.28 -1.20 -0.53 4.19 -1.26 0.42 117.16 120.51 3cf8 n TYR 25 Ca 0.03 0.40 -0.30 0.00 3.31 0.00 0.00 57.90 61.35 3cf8 n TYR 25 Cb 0.64 -2.48 0.08 0.00 0.49 0.00 0.00 39.34 38.07 3cf8 n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3cf8 n PRO 26 N 2.05 2.44 0.00 2.98 -0.04 -1.26 -4.93 135.00 136.23 3cf8 n PRO 26 Ca 0.11 -2.85 0.00 0.00 -0.04 0.00 0.00 63.50 60.72 3cf8 n PRO 26 Cb 0.32 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3cf8 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3cf8 n MET 27 N -0.65 1.74 -3.10 0.54 2.81 0.17 -4.95 117.12 113.67 3cf8 n MET 27 Ca 0.55 -1.08 -0.43 0.00 -1.81 0.00 0.00 57.70 54.93 3cf8 n MET 27 Cb 0.74 -0.82 -0.07 0.00 -0.71 0.00 0.00 33.22 32.37 3cf8 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3cf8 s LEU 28 N -0.59 4.54 -0.22 4.03 2.96 -0.96 -4.65 118.68 123.79 3cf8 s LEU 28 Ca 0.00 -0.41 0.12 0.00 -0.22 0.00 0.00 54.13 53.62 3cf8 s LEU 28 Cb 0.00 -2.70 0.43 0.00 0.50 0.00 0.00 46.19 44.42 3cf8 s LEU 28 CO 0.00 -0.81 1.28 0.18 -1.32 0.00 0.00 176.35 175.68 3cf8 n LEU 29 N 6.30 3.05 -3.87 -0.68 4.77 -1.26 -4.90 117.00 120.40 3cf8 n LEU 29 Ca -0.02 -3.71 -0.23 0.00 -0.03 0.00 0.00 56.01 52.02 3cf8 n LEU 29 Cb 0.48 -0.54 -0.17 0.00 -2.33 0.00 0.00 43.42 40.86 3cf8 n LEU 29 CO 0.54 1.23 -0.42 -0.69 -1.33 0.00 0.00 177.39 176.72 3cf8 s VAL 30 N -3.17 0.70 -0.19 4.08 1.01 -1.26 -4.55 120.40 117.02 3cf8 s VAL 30 Ca 0.39 -0.14 0.11 0.00 0.00 0.00 0.00 61.98 62.35 3cf8 s VAL 30 Cb 0.36 -0.75 -0.23 0.00 0.00 0.00 0.00 36.38 35.77 3cf8 s VAL 30 CO -0.03 0.29 0.10 0.47 0.00 0.00 0.00 175.10 175.93 3cf8 n ASP 31 N 4.61 0.79 -3.63 3.32 8.00 0.10 -4.96 116.55 124.78 3cf8 n ASP 31 Ca -0.16 0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.24 3cf8 n ASP 31 Cb 0.50 0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 41.88 3cf8 n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3cf8 s ARG 32 N -2.52 0.83 -0.25 -1.24 3.52 -1.03 -3.10 118.95 115.15 3cf8 s ARG 32 Ca -0.17 0.85 -0.07 0.00 -0.13 0.00 0.00 55.73 56.21 3cf8 s ARG 32 Cb 0.07 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.84 3cf8 s ARG 32 CO 0.77 -0.13 0.06 0.42 -0.81 0.00 0.00 175.30 175.61 3cf8 s ILE 33 N 0.14 4.16 -0.13 4.11 -1.09 0.43 -0.97 121.20 127.84 3cf8 s ILE 33 Ca -0.02 -0.28 0.19 0.00 -2.23 0.00 0.00 60.65 58.31 3cf8 s ILE 33 Cb -0.04 -2.97 -0.24 0.00 -1.58 0.00 0.00 42.46 37.63 3cf8 s ILE 33 CO 0.02 0.31 0.41 0.35 -1.23 0.00 0.00 174.94 174.80 3cf8 n THR 34 N 4.90 0.96 -3.82 2.92 -2.24 -0.01 -1.11 114.28 115.88 3cf8 n THR 34 Ca -0.16 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 60.78 3cf8 n THR 34 Cb 0.51 -0.42 -0.14 0.00 -2.10 0.00 0.00 70.33 68.18 3cf8 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3cf8 s GLU 35 N -2.90 0.08 -0.15 -0.78 2.02 -0.76 -4.47 118.70 111.73 3cf8 s GLU 35 Ca -0.07 0.17 -0.05 0.00 0.02 0.00 0.00 54.97 55.04 3cf8 s GLU 35 Cb 0.09 -0.03 0.08 0.00 0.10 0.00 0.00 34.13 34.36 3cf8 s GLU 35 CO 0.85 -0.06 0.28 -1.17 0.02 0.00 0.00 175.26 175.18 3cf8 s LEU 36 N 0.37 -0.34 -0.29 1.80 2.96 -1.22 -0.98 118.68 120.98 3cf8 s LEU 36 Ca -0.03 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 3cf8 s LEU 36 Cb -0.04 0.75 0.07 0.00 0.50 0.00 0.00 46.19 47.47 3cf8 s LEU 36 CO -0.01 -0.26 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.63 3cf8 s GLN 37 N 2.44 2.10 0.11 1.98 -0.21 0.25 -4.83 119.66 121.49 3cf8 s GLN 37 Ca 0.03 -1.48 -0.35 0.00 0.02 0.00 0.00 55.36 53.58 3cf8 s GLN 37 Cb -0.13 -3.06 -0.17 0.00 1.00 0.00 0.00 33.01 30.65 3cf8 s GLN 37 CO -0.10 -0.69 1.14 0.00 -2.12 0.00 0.00 175.29 173.52 3cf8 n ALA 38 N 4.44 -1.68 -0.76 6.09 0.00 -1.26 -0.74 120.51 126.59 3cf8 n ALA 38 Ca -0.09 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3cf8 n ALA 38 Cb 0.42 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3cf8 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cf8 n ASN 39 N 2.05 -1.17 0.02 0.00 4.13 -1.26 -4.74 115.26 114.30 3cf8 n ASN 39 Ca 0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.43 3cf8 n ASN 39 Cb 0.19 -1.77 0.00 0.00 -1.54 0.00 0.00 39.78 36.66 3cf8 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cf8 n GLN 40 N -1.64 0.00 -3.51 3.52 6.02 0.08 -4.63 117.38 117.23 3cf8 n GLN 40 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 3cf8 n GLN 40 Cb 0.08 -0.16 -0.04 0.00 1.02 0.00 0.00 30.24 31.13 3cf8 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3cf8 s LYS 41 N -1.37 1.13 -0.01 -1.09 -2.85 -0.66 -0.39 119.74 114.50 3cf8 s LYS 41 Ca 0.00 -0.19 0.03 0.00 -1.00 0.00 0.00 55.97 54.81 3cf8 s LYS 41 Cb 0.00 0.52 -0.01 0.00 -2.06 0.00 0.00 37.83 36.28 3cf8 s LYS 41 CO 0.00 -0.43 -0.11 -1.50 0.10 0.00 0.00 175.35 173.41 3cf8 s ILE 42 N -2.60 0.92 -0.17 3.79 2.07 -0.15 -0.59 121.20 124.47 3cf8 s ILE 42 Ca -0.04 -0.49 0.01 0.00 -1.41 0.00 0.00 60.65 58.72 3cf8 s ILE 42 Cb -0.01 -0.77 0.02 0.00 0.13 0.00 0.00 42.46 41.83 3cf8 s ILE 42 CO -0.03 0.26 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.38 3cf8 s VAL 43 N -0.19 2.12 0.26 4.00 1.01 -0.15 -1.91 120.40 125.53 3cf8 s VAL 43 Ca 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3cf8 s VAL 43 Cb -0.05 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3cf8 s VAL 43 CO -0.00 0.54 0.16 0.00 0.00 0.00 0.00 175.10 175.79 3cf8 s ALA 44 N 1.15 1.57 0.11 5.51 0.00 -0.73 -0.83 121.76 128.55 3cf8 s ALA 44 Ca 0.01 -1.80 -0.16 0.00 0.00 0.00 0.00 51.96 50.01 3cf8 s ALA 44 Cb -0.14 1.30 0.03 0.00 0.00 0.00 0.00 23.12 24.31 3cf8 s ALA 44 CO -0.09 -0.56 0.40 1.52 0.00 0.00 0.00 175.76 177.02 3cf8 s TYR 45 N -3.84 -0.21 -0.07 0.00 1.13 -0.15 -0.06 117.35 114.15 3cf8 s TYR 45 Ca 0.38 -0.08 0.02 0.00 -1.41 0.00 0.00 57.07 55.99 3cf8 s TYR 45 Cb 0.06 0.25 0.01 0.00 -1.10 0.00 0.00 41.96 41.18 3cf8 s TYR 45 CO 0.16 -0.68 -0.14 0.21 -2.51 0.00 0.00 175.55 172.59 3cf8 s LYS 46 N -3.63 1.93 0.25 -3.49 2.20 -0.22 -0.73 119.74 116.05 3cf8 s LYS 46 Ca 0.02 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 3cf8 s LYS 46 Cb 0.02 -1.57 -0.09 0.00 -1.51 0.00 0.00 37.83 34.68 3cf8 s LYS 46 CO -0.11 0.04 1.13 -0.80 -0.36 0.00 0.00 175.35 175.26 3cf8 s ASN 47 N 0.65 7.20 -0.26 1.43 0.01 -1.26 -0.90 114.94 121.80 3cf8 s ASN 47 Ca -0.15 2.26 -0.07 0.00 -0.71 0.00 0.00 52.86 54.19 3cf8 s ASN 47 Cb -0.16 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 38.86 3cf8 s ASN 47 CO 0.04 -0.22 0.08 -0.63 -1.51 0.00 0.00 177.10 174.86 3cf8 s ILE 48 N -0.78 4.27 0.11 0.60 -1.09 -0.08 -4.93 121.20 119.31 3cf8 s ILE 48 Ca 0.47 -0.28 0.06 0.00 -2.23 0.00 0.00 60.65 58.67 3cf8 s ILE 48 Cb -0.32 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 3cf8 s ILE 48 CO 0.40 0.28 -0.14 0.28 -1.23 0.00 0.00 174.94 174.52 3cf8 s THR 49 N 1.60 1.29 0.45 2.92 -1.32 -1.26 0.37 115.64 119.69 3cf8 s THR 49 Ca 0.06 -1.61 0.18 0.00 -1.21 0.00 0.00 61.69 59.11 3cf8 s THR 49 Cb -0.16 -1.42 0.22 0.00 -1.51 0.00 0.00 72.50 69.64 3cf8 s THR 49 CO 0.04 -0.35 2.03 0.15 -2.21 0.00 0.00 174.62 174.28 3cf8 h PHE 50 N 3.74 0.00 0.00 9.09 3.57 -1.95 -3.24 116.94 128.15 3cf8 h PHE 50 Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 3cf8 h PHE 50 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3cf8 h PHE 50 CO 0.64 0.15 0.00 -1.71 -2.23 0.00 0.00 178.31 175.17 3cf8 n ASN 51 N -4.15 3.09 -4.39 0.41 4.05 -1.26 -4.73 115.26 108.28 3cf8 n ASN 51 Ca -0.02 -1.76 -0.32 0.00 0.45 0.00 0.00 54.58 52.93 3cf8 n ASN 51 Cb 0.23 -0.63 -0.14 0.00 1.23 0.00 0.00 39.78 40.47 3cf8 n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3cf8 s GLU 52 N 0.56 2.63 0.27 1.20 2.02 -1.22 -5.04 118.70 119.12 3cf8 s GLU 52 Ca 0.00 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.19 3cf8 s GLU 52 Cb 0.00 -2.34 0.39 0.00 0.10 0.00 0.00 34.13 32.28 3cf8 s GLU 52 CO 0.00 0.48 1.91 0.22 0.02 0.00 0.00 175.26 177.89 3cf8 h ASP 53 N 5.78 1.05 -1.06 -0.19 3.58 -1.94 -2.40 116.42 121.24 3cf8 h ASP 53 Ca -0.39 -0.01 0.30 0.00 0.42 0.00 0.00 57.03 57.35 3cf8 h ASP 53 Cb 1.17 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.92 3cf8 h ASP 53 CO 0.50 0.71 0.74 -0.37 -2.88 0.00 0.00 179.24 177.94 3cf8 h VAL 54 N 1.21 0.48 0.00 2.25 -1.51 -1.96 -0.48 116.25 116.24 3cf8 h VAL 54 Ca 0.40 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.83 3cf8 h VAL 54 Cb 0.05 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 29.58 3cf8 h VAL 54 CO -0.13 0.02 0.00 -0.26 -1.23 0.00 0.00 177.57 175.97 3cf8 h PHE 55 N 0.10 0.00 -0.20 5.19 0.05 -1.70 -2.45 116.94 117.93 3cf8 h PHE 55 Ca 0.53 0.00 0.06 0.00 3.82 0.00 0.00 57.97 62.38 3cf8 h PHE 55 Cb 1.90 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.84 3cf8 h PHE 55 CO -0.00 0.00 0.16 -0.91 -0.18 0.00 0.00 178.31 177.37 3cf8 h ASN 56 N 0.00 0.00 0.00 2.17 2.35 -1.24 -3.27 115.58 115.59 3cf8 h ASN 56 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cf8 h ASN 56 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3cf8 h ASN 56 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 3cf8 n GLY 57 N -1.53 -0.31 2.26 2.83 0.00 -1.00 -4.24 105.19 103.20 3cf8 n GLY 57 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 3cf8 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3cf8 n HIS 58 N -0.08 -0.54 -4.35 1.61 -0.00 -0.96 -4.50 115.22 106.40 3cf8 n HIS 58 Ca 0.00 -3.47 -0.20 0.00 -0.00 0.00 0.00 57.72 54.05 3cf8 n HIS 58 Cb 0.13 -0.13 -0.10 0.00 -0.00 0.00 0.00 29.99 29.88 3cf8 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3cf8 s PHE 59 N -0.75 1.78 0.13 1.57 0.08 0.10 -1.53 117.98 119.35 3cf8 s PHE 59 Ca 0.34 -0.52 -0.35 0.00 0.12 0.00 0.00 56.93 56.53 3cf8 s PHE 59 Cb 0.12 -0.84 -0.16 0.00 -0.57 0.00 0.00 43.02 41.57 3cf8 s PHE 59 CO -0.14 0.37 1.28 -2.30 -0.10 0.00 0.00 175.22 174.33 3cf8 n PRO 60 N -0.15 1.23 -0.58 0.24 -0.02 -1.26 -0.56 135.00 133.90 3cf8 n PRO 60 Ca -0.10 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3cf8 n PRO 60 Cb 0.59 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3cf8 n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3cf8 n ASN 61 N 2.35 -0.43 -3.19 2.55 3.02 -1.26 -4.86 115.26 113.43 3cf8 n ASN 61 Ca 0.17 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.51 3cf8 n ASN 61 Cb 0.22 -2.33 -0.06 0.00 -0.61 0.00 0.00 39.78 36.99 3cf8 n ASN 61 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3cf8 n LYS 62 N -1.80 0.41 -2.03 3.52 3.00 0.28 -5.11 118.16 116.42 3cf8 n LYS 62 Ca 0.00 -2.90 -0.43 0.00 -0.00 0.00 0.00 58.31 54.98 3cf8 n LYS 62 Cb 0.03 -1.51 -0.03 0.00 0.00 0.00 0.00 35.03 33.53 3cf8 n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3cf8 s PRO 63 N -0.07 3.50 -0.10 1.64 0.04 -1.23 -0.72 135.00 138.06 3cf8 s PRO 63 Ca 0.33 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 3cf8 s PRO 63 Cb 0.08 -4.14 0.03 0.00 0.04 0.00 0.00 34.50 30.50 3cf8 s PRO 63 CO -0.16 -1.65 -0.06 0.42 0.04 0.00 0.00 177.00 175.59 3cf8 s ILE 64 N 6.28 0.89 0.08 0.56 1.01 -0.58 -4.48 121.20 124.96 3cf8 s ILE 64 Ca 0.77 -0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.91 3cf8 s ILE 64 Cb -0.24 -0.94 -0.09 0.00 0.01 0.00 0.00 42.46 41.20 3cf8 s ILE 64 CO 0.33 0.35 1.82 0.12 0.00 0.00 0.00 174.94 177.55 3cf8 s PHE 65 N 1.76 1.94 0.23 3.97 5.36 0.81 -4.59 117.98 127.46 3cf8 s PHE 65 Ca 0.05 -0.07 -0.32 0.00 -0.96 0.00 0.00 56.93 55.64 3cf8 s PHE 65 Cb -0.12 -4.14 -0.14 0.00 -0.34 0.00 0.00 43.02 38.28 3cf8 s PHE 65 CO -0.08 -4.80 1.41 -2.30 -1.46 0.00 0.00 175.22 167.99 3cf8 n PRO 66 N 6.30 1.98 -0.34 10.12 -0.02 -1.26 -4.57 135.00 147.21 3cf8 n PRO 66 Ca 0.18 0.70 -0.02 0.00 -2.02 0.00 0.00 63.50 62.35 3cf8 n PRO 66 Cb 0.40 -2.36 0.11 0.00 -0.02 0.00 0.00 33.50 31.63 3cf8 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3cf8 h GLY 67 N 4.32 1.32 2.00 -1.23 0.00 -1.99 -2.32 103.07 105.18 3cf8 h GLY 67 Ca -0.45 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 3cf8 h GLY 67 CO 0.77 0.42 -0.02 -0.39 0.00 0.00 0.00 176.54 177.31 3cf8 h VAL 68 N 1.18 0.83 0.00 4.60 -1.51 -2.00 -2.10 116.25 117.25 3cf8 h VAL 68 Ca 0.36 -0.07 -0.15 0.00 -1.23 0.00 0.00 66.70 65.61 3cf8 h VAL 68 Cb -0.05 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 30.13 3cf8 h VAL 68 CO -0.10 0.02 -0.81 -0.07 -1.23 0.00 0.00 177.57 175.38 3cf8 h LEU 69 N 0.00 0.00 0.18 4.19 3.38 -1.79 -1.04 115.31 120.23 3cf8 h LEU 69 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cf8 h LEU 69 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3cf8 h LEU 69 CO 0.00 0.70 -0.14 0.40 0.09 0.00 0.00 178.44 179.49 3cf8 h ILE 70 N 0.00 0.69 -0.98 1.22 2.04 -1.18 -0.07 117.51 119.23 3cf8 h ILE 70 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3cf8 h ILE 70 Cb 1.56 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 3cf8 h ILE 70 CO 0.09 0.00 0.63 0.58 0.00 0.00 0.00 178.15 179.44 3cf8 h VAL 71 N -0.33 1.08 -0.42 1.67 2.07 -1.36 -1.11 116.25 117.85 3cf8 h VAL 71 Ca -0.01 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3cf8 h VAL 71 Cb 0.30 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 3cf8 h VAL 71 CO -0.01 0.21 0.17 -0.08 0.02 0.00 0.00 177.57 177.88 3cf8 h GLU 72 N 1.14 0.62 -0.23 1.57 4.57 -1.00 -0.84 114.58 120.40 3cf8 h GLU 72 Ca 0.42 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.45 3cf8 h GLU 72 Cb 0.17 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3cf8 h GLU 72 CO -0.17 0.57 -0.07 0.78 -1.18 0.00 0.00 179.01 178.94 3cf8 h GLY 73 N 0.53 0.39 1.06 1.92 0.00 -0.50 -0.40 103.07 106.08 3cf8 h GLY 73 Ca 0.14 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 3cf8 h GLY 73 CO -0.01 0.22 0.03 -0.33 0.00 0.00 0.00 176.54 176.45 3cf8 h MET 74 N 0.35 1.04 -0.53 4.80 2.86 -0.96 -2.08 114.93 120.41 3cf8 h MET 74 Ca 0.07 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 3cf8 h MET 74 Cb 0.35 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3cf8 h MET 74 CO 0.02 1.00 0.13 0.00 1.06 0.00 0.00 176.91 179.12 3cf8 h ALA 75 N 0.99 0.70 -0.56 6.32 0.00 -0.57 -1.17 119.26 124.98 3cf8 h ALA 75 Ca 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3cf8 h ALA 75 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3cf8 h ALA 75 CO 0.02 0.40 0.14 1.96 0.00 0.00 0.00 179.25 181.77 3cf8 h GLN 76 N 0.75 0.86 -0.35 0.00 4.20 -1.01 0.49 115.11 120.04 3cf8 h GLN 76 Ca 0.17 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3cf8 h GLN 76 Cb 0.34 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3cf8 h GLN 76 CO 0.00 0.77 -0.24 0.77 -0.67 0.00 0.00 178.83 179.47 3cf8 h SER 77 N 0.83 0.82 -0.50 1.46 0.02 -1.28 -1.61 113.55 113.29 3cf8 h SER 77 Ca 0.18 -0.43 0.02 0.00 -0.84 0.00 0.00 61.79 60.72 3cf8 h SER 77 Cb 0.30 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3cf8 h SER 77 CO -0.00 1.08 0.30 1.23 -1.14 0.00 0.00 176.83 178.30 3cf8 h GLY 78 N 0.57 0.71 0.99 -3.77 0.00 -0.91 -1.37 103.07 99.29 3cf8 h GLY 78 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3cf8 h GLY 78 CO 0.07 0.20 0.30 -1.33 0.00 0.00 0.00 176.54 175.77 3cf8 h GLY 79 N 0.61 0.68 0.94 4.60 0.00 -0.84 0.21 103.07 109.27 3cf8 h GLY 79 Ca 0.20 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.28 3cf8 h GLY 79 CO -0.08 0.26 0.46 -2.75 0.00 0.00 0.00 176.54 174.43 3cf8 h PHE 80 N 0.63 0.86 0.13 5.60 3.57 -1.19 0.02 116.94 126.57 3cf8 h PHE 80 Ca 0.17 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3cf8 h PHE 80 Cb -0.04 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.42 3cf8 h PHE 80 CO -0.04 0.52 -0.06 1.25 -2.23 0.00 0.00 178.31 177.75 3cf8 h LEU 81 N 0.92 -0.14 0.43 0.59 5.85 -0.85 -1.61 115.31 120.49 3cf8 h LEU 81 Ca 0.27 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3cf8 h LEU 81 Cb -0.05 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3cf8 h LEU 81 CO -0.08 -0.07 -0.44 0.00 -0.34 0.00 0.00 178.44 177.51 3cf8 h ALA 82 N 0.66 -0.96 -0.22 1.25 0.00 -0.80 -0.21 119.26 118.98 3cf8 h ALA 82 Ca -0.02 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3cf8 h ALA 82 Cb 0.16 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3cf8 h ALA 82 CO 0.03 -1.08 -0.12 0.35 0.00 0.00 0.00 179.25 178.43 3cf8 h PHE 83 N -0.88 -0.28 0.00 0.00 3.57 -0.99 -1.80 116.94 116.56 3cf8 h PHE 83 Ca -0.04 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 3cf8 h PHE 83 Cb 0.78 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3cf8 h PHE 83 CO -0.24 -0.18 -0.23 1.79 -2.23 0.00 0.00 178.31 177.22 3cf8 h THR 84 N -0.09 1.14 -0.76 4.41 1.35 -1.24 -0.25 112.91 117.46 3cf8 h THR 84 Ca 0.12 -0.81 -0.06 0.00 -0.55 0.00 0.00 66.41 65.11 3cf8 h THR 84 Cb 0.27 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 68.10 3cf8 h THR 84 CO -0.28 0.23 0.25 0.28 -0.25 0.00 0.00 175.52 175.75 3cf8 h SER 85 N 0.00 1.10 0.05 5.36 0.02 -0.22 0.22 113.55 120.08 3cf8 h SER 85 Ca -0.00 -0.20 -0.20 0.00 -0.84 0.00 0.00 61.79 60.55 3cf8 h SER 85 Cb 0.42 -0.29 0.02 0.00 0.14 0.00 0.00 62.40 62.70 3cf8 h SER 85 CO 0.03 1.00 -0.80 -0.07 -1.14 0.00 0.00 176.83 175.85 3cf8 h LEU 86 N 1.13 0.62 -0.39 5.07 -0.00 -0.71 -3.42 115.31 117.62 3cf8 h LEU 86 Ca 0.25 -0.80 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 3cf8 h LEU 86 Cb 0.29 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 3cf8 h LEU 86 CO -0.01 1.36 0.00 0.79 -0.00 0.00 0.00 178.44 180.58 3cf8 n TRP 87 N -4.09 0.00 -4.80 1.13 8.01 -0.17 -5.12 117.44 112.40 3cf8 n TRP 87 Ca -0.12 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.07 3cf8 n TRP 87 Cb 0.78 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.08 3cf8 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3cf8 n GLY 88 N 0.14 0.14 3.56 6.99 0.00 0.78 -4.29 105.19 112.50 3cf8 n GLY 88 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 3cf8 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3cf8 s PHE 89 N 0.00 2.03 -0.44 1.61 5.36 -1.26 -4.42 117.98 120.86 3cf8 s PHE 89 Ca 0.00 0.18 0.02 0.00 -0.96 0.00 0.00 56.93 56.17 3cf8 s PHE 89 Cb 0.00 -4.23 0.14 0.00 -0.34 0.00 0.00 43.02 38.59 3cf8 s PHE 89 CO 0.00 -1.75 0.26 0.34 -1.46 0.00 0.00 175.22 172.61 3cf8 s ASP 90 N 7.02 3.40 0.47 6.13 -1.08 -1.26 -4.99 116.67 126.36 3cf8 s ASP 90 Ca 0.63 -2.70 0.15 0.00 -0.52 0.00 0.00 52.55 50.11 3cf8 s ASP 90 Cb -0.04 -0.92 1.13 0.00 -1.46 0.00 0.00 42.92 41.62 3cf8 s ASP 90 CO -0.02 -0.25 2.04 -0.65 0.52 0.00 0.00 175.17 176.82 3cf8 h PRO 91 N 6.55 0.25 -0.30 4.34 0.11 -1.90 -0.80 132.00 140.26 3cf8 h PRO 91 Ca 0.04 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.02 3cf8 h PRO 91 Cb 0.92 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 3cf8 h PRO 91 CO 0.46 0.16 -0.29 1.49 -0.21 0.00 0.00 178.00 179.61 3cf8 h GLU 92 N 0.26 0.72 -0.03 1.05 4.81 -1.94 -2.97 114.58 116.47 3cf8 h GLU 92 Ca 0.18 -0.38 -0.17 0.00 -0.13 0.00 0.00 59.36 58.86 3cf8 h GLU 92 Cb 0.37 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3cf8 h GLU 92 CO -0.03 0.99 -0.73 0.82 -0.73 0.00 0.00 179.01 179.33 3cf8 h ILE 93 N 0.47 1.44 -0.91 2.32 2.04 -1.91 -3.24 117.51 117.72 3cf8 h ILE 93 Ca 0.05 -2.29 0.13 0.00 1.00 0.00 0.00 64.86 63.75 3cf8 h ILE 93 Cb 0.86 2.22 -0.09 0.00 -0.74 0.00 0.00 36.82 39.07 3cf8 h ILE 93 CO 0.07 0.67 0.52 0.00 0.00 0.00 0.00 178.15 179.41 3cf8 h ALA 94 N 1.11 1.37 0.00 1.87 0.00 -1.05 -0.72 119.26 121.84 3cf8 h ALA 94 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3cf8 h ALA 94 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3cf8 h ALA 94 CO 0.11 0.06 0.00 0.87 0.00 0.00 0.00 179.25 180.29 3cf8 h LYS 95 N 0.79 0.00 -0.03 0.00 1.57 -1.55 -2.84 116.57 114.51 3cf8 h LYS 95 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3cf8 h LYS 95 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3cf8 h LYS 95 CO -0.31 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 178.82 3cf8 n THR 96 N -3.06 0.00 -4.63 -0.16 -2.24 -0.28 -4.87 114.28 99.04 3cf8 n THR 96 Ca -0.02 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.95 3cf8 n THR 96 Cb 0.12 1.48 -0.12 0.00 -2.10 0.00 0.00 70.33 69.71 3cf8 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3cf8 s LYS 97 N -1.93 2.11 -0.02 -0.78 -0.14 -1.07 -0.13 119.74 117.79 3cf8 s LYS 97 Ca 0.27 -0.96 0.07 0.00 -1.36 0.00 0.00 55.97 53.99 3cf8 s LYS 97 Cb 0.19 -2.22 -0.02 0.00 -1.68 0.00 0.00 37.83 34.11 3cf8 s LYS 97 CO 0.29 0.54 -0.23 0.96 -0.76 0.00 0.00 175.35 176.16 3cf8 s ILE 98 N -0.94 1.79 -0.42 2.17 -5.25 -0.11 -4.66 121.20 113.78 3cf8 s ILE 98 Ca 0.15 -0.97 -0.07 0.00 -0.99 0.00 0.00 60.65 58.77 3cf8 s ILE 98 Cb -0.11 -1.49 0.09 0.00 2.95 0.00 0.00 42.46 43.90 3cf8 s ILE 98 CO 0.06 0.51 0.25 -0.69 -1.79 0.00 0.00 174.94 173.27 3cf8 s VAL 99 N -0.50 3.96 -0.38 8.37 1.01 -1.26 -1.42 120.40 130.18 3cf8 s VAL 99 Ca 0.08 -1.60 -0.20 0.00 0.00 0.00 0.00 61.98 60.25 3cf8 s VAL 99 Cb -0.09 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.80 3cf8 s VAL 99 CO -0.01 -0.57 0.61 -0.47 0.00 0.00 0.00 175.10 174.66 3cf8 s TYR 100 N 1.35 3.13 -0.16 5.22 5.04 -0.26 -4.89 117.35 126.77 3cf8 s TYR 100 Ca 0.04 0.17 -0.29 0.00 -2.44 0.00 0.00 57.07 54.55 3cf8 s TYR 100 Cb -0.23 -3.15 -0.00 0.00 0.35 0.00 0.00 41.96 38.93 3cf8 s TYR 100 CO 0.00 -0.68 1.04 -0.06 -1.34 0.00 0.00 175.55 174.51 3cf8 s PHE 101 N 2.66 3.39 -0.23 4.97 0.40 -1.26 -0.27 117.98 127.64 3cf8 s PHE 101 Ca 0.22 1.50 -0.05 0.00 -0.60 0.00 0.00 56.93 58.00 3cf8 s PHE 101 Cb -0.15 -3.25 -0.18 0.00 0.51 0.00 0.00 43.02 39.96 3cf8 s PHE 101 CO 0.16 -0.44 -0.11 -1.33 0.70 0.00 0.00 175.22 174.20 3cf8 n MET 102 N 5.69 0.65 -4.09 0.44 2.81 0.53 -4.98 117.12 118.17 3cf8 n MET 102 Ca 0.11 0.23 -0.09 0.00 -1.81 0.00 0.00 57.70 56.14 3cf8 n MET 102 Cb 0.47 -1.57 -0.10 0.00 -0.71 0.00 0.00 33.22 31.31 3cf8 n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3cf8 s THR 103 N -2.51 0.36 -0.03 2.03 -4.23 -1.17 -5.02 115.64 105.07 3cf8 s THR 103 Ca -0.33 -1.66 -0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3cf8 s THR 103 Cb 0.10 -1.31 0.03 0.00 1.34 0.00 0.00 72.50 72.65 3cf8 s THR 103 CO 0.61 -0.85 0.03 -0.63 -0.54 0.00 0.00 174.62 173.24 3cf8 s ILE 104 N -3.29 0.01 0.11 2.99 1.01 -1.26 -2.13 121.20 118.64 3cf8 s ILE 104 Ca 0.04 0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.90 3cf8 s ILE 104 Cb 0.03 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.30 3cf8 s ILE 104 CO -0.06 0.13 -0.00 -1.81 0.00 0.00 0.00 174.94 173.19 3cf8 s ASP 105 N 1.29 0.66 -1.48 3.58 1.11 -0.26 -4.94 116.67 116.63 3cf8 s ASP 105 Ca -0.06 -1.10 -0.11 0.00 0.18 0.00 0.00 52.55 51.45 3cf8 s ASP 105 Cb -0.13 0.20 0.06 0.00 1.07 0.00 0.00 42.92 44.12 3cf8 s ASP 105 CO -0.03 -0.62 0.99 0.29 1.18 0.00 0.00 175.17 176.98 3cf8 n LYS 106 N -0.05 -5.88 -3.44 8.23 4.76 -1.26 -0.70 118.16 119.83 3cf8 n LYS 106 Ca -0.09 0.64 -0.37 0.00 -2.87 0.00 0.00 58.31 55.61 3cf8 n LYS 106 Cb 0.62 -5.52 -0.06 0.00 -1.84 0.00 0.00 35.03 28.22 3cf8 n LYS 106 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3cf8 s VAL 107 N -3.35 5.23 -0.02 -0.18 0.11 -1.26 -3.88 120.40 117.06 3cf8 s VAL 107 Ca 0.57 0.75 0.02 0.00 -2.93 0.00 0.00 61.98 60.39 3cf8 s VAL 107 Cb -0.28 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 3cf8 s VAL 107 CO 0.81 0.38 -0.06 -0.54 -3.33 0.00 0.00 175.10 172.36 3cf8 s LYS 108 N 0.37 0.65 -0.23 1.54 1.02 -0.68 -4.97 119.74 117.44 3cf8 s LYS 108 Ca 0.21 -0.20 -0.05 0.00 0.02 0.00 0.00 55.97 55.95 3cf8 s LYS 108 Cb -0.14 -0.64 -0.02 0.00 -0.52 0.00 0.00 37.83 36.52 3cf8 s LYS 108 CO 0.08 0.08 -0.00 -0.06 -0.92 0.00 0.00 175.35 174.52 3cf8 s PHE 109 N 0.17 3.00 -0.23 3.18 0.40 -1.26 -1.51 117.98 121.72 3cf8 s PHE 109 Ca -0.02 -0.75 -0.03 0.00 -0.60 0.00 0.00 56.93 55.52 3cf8 s PHE 109 Cb -0.06 -2.15 -0.13 0.00 0.51 0.00 0.00 43.02 41.18 3cf8 s PHE 109 CO -0.00 -0.48 -0.24 0.54 0.70 0.00 0.00 175.22 175.74 3cf8 n ARG 110 N 4.84 0.55 -4.50 0.44 1.74 0.18 -4.98 116.66 114.93 3cf8 n ARG 110 Ca -0.17 0.17 -0.23 0.00 -0.77 0.00 0.00 57.85 56.84 3cf8 n ARG 110 Cb 0.51 -1.42 -0.16 0.00 -1.02 0.00 0.00 32.46 30.36 3cf8 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3cf8 s ILE 111 N -2.45 0.99 0.63 0.55 1.01 -1.16 -5.05 121.20 115.72 3cf8 s ILE 111 Ca -0.32 -0.41 -0.18 0.00 0.00 0.00 0.00 60.65 59.74 3cf8 s ILE 111 Cb 0.10 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 3cf8 s ILE 111 CO 0.49 0.32 1.25 -2.16 0.00 0.00 0.00 174.94 174.84 3cf8 s PRO 112 N 0.62 2.68 -0.12 2.79 0.04 -1.26 -4.79 135.00 134.95 3cf8 s PRO 112 Ca -0.12 1.93 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 3cf8 s PRO 112 Cb -0.14 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3cf8 s PRO 112 CO 0.03 -1.46 -0.02 0.08 0.04 0.00 0.00 177.00 175.66 3cf8 s VAL 113 N -1.54 4.07 0.10 -0.36 1.01 -1.26 -5.03 120.40 117.38 3cf8 s VAL 113 Ca 0.80 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.46 3cf8 s VAL 113 Cb -0.34 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3cf8 s VAL 113 CO 0.38 0.55 -0.03 0.42 0.00 0.00 0.00 175.10 176.41 3cf8 s THR 114 N -0.26 0.48 0.11 3.92 -4.23 -1.26 -0.13 115.64 114.26 3cf8 s THR 114 Ca 0.05 -1.90 -0.36 0.00 -1.18 0.00 0.00 61.69 58.30 3cf8 s THR 114 Cb -0.13 -1.73 -0.17 0.00 1.34 0.00 0.00 72.50 71.82 3cf8 s THR 114 CO 0.02 -0.81 1.27 -2.65 -0.54 0.00 0.00 174.62 171.91 3cf8 n PRO 115 N -0.03 1.09 0.00 3.99 -0.02 -1.26 -1.87 135.00 136.91 3cf8 n PRO 115 Ca -0.11 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3cf8 n PRO 115 Cb 0.62 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3cf8 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cf8 n GLY 116 N 2.33 0.17 3.79 -1.23 0.00 0.16 -4.91 105.19 105.50 3cf8 n GLY 116 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3cf8 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cf8 s ASP 117 N -2.04 7.26 -0.49 1.61 -0.00 -0.78 -4.92 116.67 117.31 3cf8 s ASP 117 Ca 0.00 1.61 -0.17 0.00 -0.00 0.00 0.00 52.55 53.99 3cf8 s ASP 117 Cb 0.00 -2.49 0.07 0.00 -0.00 0.00 0.00 42.92 40.50 3cf8 s ASP 117 CO 0.00 0.09 0.47 -0.60 -0.00 0.00 0.00 175.17 175.13 3cf8 s ARG 118 N -1.63 3.02 -0.51 8.23 3.52 -1.26 -0.90 118.95 129.42 3cf8 s ARG 118 Ca 0.41 -1.25 -0.22 0.00 -0.13 0.00 0.00 55.73 54.54 3cf8 s ARG 118 Cb -0.20 -4.14 0.04 0.00 -1.56 0.00 0.00 34.95 29.10 3cf8 s ARG 118 CO 0.24 -1.11 0.80 -1.17 -0.81 0.00 0.00 175.30 173.25 3cf8 s LEU 119 N 1.93 4.38 -0.26 -0.88 2.96 -0.08 -4.43 118.68 122.30 3cf8 s LEU 119 Ca 0.07 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 3cf8 s LEU 119 Cb -0.23 -2.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.65 3cf8 s LEU 119 CO 0.08 -1.03 0.19 -0.70 -1.32 0.00 0.00 176.35 173.56 3cf8 s GLU 120 N 3.37 4.00 -0.22 1.98 2.12 0.33 -1.05 118.70 129.23 3cf8 s GLU 120 Ca 0.26 -0.28 -0.16 0.00 0.36 0.00 0.00 54.97 55.15 3cf8 s GLU 120 Cb -0.14 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3cf8 s GLU 120 CO 0.18 -0.10 0.40 0.71 -0.54 0.00 0.00 175.26 175.92 3cf8 s TYR 121 N 1.52 3.33 -0.31 5.30 1.51 0.91 0.29 117.35 129.90 3cf8 s TYR 121 Ca 0.08 0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 56.70 3cf8 s TYR 121 Cb -0.15 -2.56 0.06 0.00 -0.11 0.00 0.00 41.96 39.20 3cf8 s TYR 121 CO 0.09 -0.09 0.00 -1.01 -1.11 0.00 0.00 175.55 173.43 3cf8 s HIS 122 N 1.58 3.33 0.00 2.71 3.76 0.15 -1.77 115.29 125.06 3cf8 s HIS 122 Ca 0.18 -2.08 0.06 0.00 -0.15 0.00 0.00 55.06 53.07 3cf8 s HIS 122 Cb -0.15 -2.24 -0.02 0.00 1.11 0.00 0.00 32.58 31.29 3cf8 s HIS 122 CO 0.08 -0.84 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.43 3cf8 s LEU 123 N 1.19 2.08 0.09 0.89 1.43 -0.80 -0.30 118.68 123.25 3cf8 s LEU 123 Ca -0.04 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 3cf8 s LEU 123 Cb -0.20 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 3cf8 s LEU 123 CO -0.03 0.20 -0.18 -1.83 0.23 0.00 0.00 176.35 174.75 3cf8 s GLU 124 N -0.67 0.98 -0.17 1.70 -1.05 -0.18 -0.98 118.70 118.33 3cf8 s GLU 124 Ca 0.07 -1.06 -0.29 0.00 -0.15 0.00 0.00 54.97 53.54 3cf8 s GLU 124 Cb -0.08 -1.13 -0.02 0.00 -0.44 0.00 0.00 34.13 32.46 3cf8 s GLU 124 CO 0.00 0.26 1.43 0.08 0.95 0.00 0.00 175.26 177.98 3cf8 s VAL 125 N -1.21 3.99 -0.06 1.83 1.01 0.48 -1.77 120.40 124.67 3cf8 s VAL 125 Ca 0.02 1.16 0.08 0.00 0.00 0.00 0.00 61.98 63.25 3cf8 s VAL 125 Cb -0.10 -3.85 -0.24 0.00 0.00 0.00 0.00 36.38 32.20 3cf8 s VAL 125 CO 0.03 -0.21 0.61 0.18 0.00 0.00 0.00 175.10 175.71 3cf8 n LEU 126 N 7.27 1.26 -3.64 3.92 4.77 0.11 -4.95 117.00 125.74 3cf8 n LEU 126 Ca 0.16 0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 56.45 3cf8 n LEU 126 Cb 0.45 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 3cf8 n LEU 126 CO 0.60 0.49 0.60 -0.75 -1.33 0.00 0.00 177.39 177.00 3cf8 s LYS 127 N -2.59 0.52 -0.21 3.23 2.20 -0.76 -5.00 119.74 117.13 3cf8 s LYS 127 Ca -0.08 0.79 -0.03 0.00 -0.36 0.00 0.00 55.97 56.29 3cf8 s LYS 127 Cb 0.08 0.16 0.06 0.00 -1.51 0.00 0.00 37.83 36.62 3cf8 s LYS 127 CO 0.81 -0.09 0.04 -1.58 -0.36 0.00 0.00 175.35 174.17 3cf8 s HIS 128 N 1.03 1.14 -0.30 4.03 5.65 -1.26 -0.19 115.29 125.38 3cf8 s HIS 128 Ca -0.05 -0.97 0.01 0.00 0.25 0.00 0.00 55.06 54.30 3cf8 s HIS 128 Cb -0.04 -1.10 0.09 0.00 -1.18 0.00 0.00 32.58 30.35 3cf8 s HIS 128 CO -0.12 -0.64 0.05 0.15 -0.65 0.00 0.00 174.74 173.52 3cf8 s LYS 129 N 1.82 1.15 7.92 2.88 -0.14 -0.89 -5.03 119.74 127.45 3cf8 s LYS 129 Ca -0.00 -1.28 0.00 0.00 -1.36 0.00 0.00 55.97 53.32 3cf8 s LYS 129 Cb -0.17 -2.51 0.00 0.00 -1.68 0.00 0.00 37.83 33.47 3cf8 s LYS 129 CO -0.10 -0.87 0.00 0.41 -0.76 0.00 0.00 175.35 174.03 3cf8 n GLY 130 N 4.63 3.42 0.04 -3.33 0.00 -1.26 -2.45 105.19 106.24 3cf8 n GLY 130 Ca -0.03 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.01 3cf8 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cf8 n MET 131 N 13.21 0.13 -3.33 1.61 2.81 -1.26 -4.85 117.12 125.44 3cf8 n MET 131 Ca 0.00 0.08 -0.39 0.00 -1.81 0.00 0.00 57.70 55.59 3cf8 n MET 131 Cb 0.00 -1.62 -0.07 0.00 -0.71 0.00 0.00 33.22 30.81 3cf8 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3cf8 s ILE 132 N -3.06 5.16 -0.18 2.02 -1.09 -1.03 -0.03 121.20 122.99 3cf8 s ILE 132 Ca 0.11 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 3cf8 s ILE 132 Cb 0.16 -3.77 0.01 0.00 -1.58 0.00 0.00 42.46 37.27 3cf8 s ILE 132 CO 0.61 0.22 -0.16 0.26 -1.23 0.00 0.00 174.94 174.63 3cf8 s TRP 133 N 1.46 2.81 -0.27 3.97 0.52 0.80 -2.08 118.94 126.14 3cf8 s TRP 133 Ca 0.21 -1.42 -0.07 0.00 0.02 0.00 0.00 56.10 54.84 3cf8 s TRP 133 Cb -0.15 -1.95 -0.01 0.00 -1.15 0.00 0.00 33.47 30.21 3cf8 s TRP 133 CO 0.09 -0.71 0.06 -1.14 0.02 0.00 0.00 176.95 175.27 3cf8 s GLN 134 N 1.25 3.38 0.13 4.98 0.74 0.73 0.06 119.66 130.93 3cf8 s GLN 134 Ca 0.03 -0.66 0.07 0.00 0.05 0.00 0.00 55.36 54.86 3cf8 s GLN 134 Cb -0.14 -3.32 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 3cf8 s GLN 134 CO -0.09 -0.30 -0.17 0.08 -0.55 0.00 0.00 175.29 174.26 3cf8 s VAL 135 N 1.55 1.59 0.14 1.34 1.01 0.61 0.08 120.40 126.73 3cf8 s VAL 135 Ca 0.05 -1.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.03 3cf8 s VAL 135 Cb -0.16 -1.65 0.07 0.00 0.00 0.00 0.00 36.38 34.65 3cf8 s VAL 135 CO 0.02 -0.31 0.64 -0.83 0.00 0.00 0.00 175.10 174.63 3cf8 s GLY 136 N -2.43 -0.59 0.00 4.51 0.00 -0.73 -0.05 107.32 108.04 3cf8 s GLY 136 Ca 0.11 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3cf8 s GLY 136 CO 0.05 0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.94 3cf8 n GLY 137 N -0.36 -0.53 3.21 0.20 0.00 -0.71 -1.01 105.19 105.99 3cf8 n GLY 137 Ca -0.16 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 3cf8 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cf8 s THR 138 N -4.00 0.75 -0.09 2.61 -4.23 0.58 -2.19 115.64 109.09 3cf8 s THR 138 Ca 0.00 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 3cf8 s THR 138 Cb 0.00 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 3cf8 s THR 138 CO 0.00 -0.67 -0.09 0.00 -0.54 0.00 0.00 174.62 173.32 3cf8 s ALA 139 N -3.60 2.88 0.03 3.99 0.00 -0.21 0.34 121.76 125.19 3cf8 s ALA 139 Ca 0.18 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.29 3cf8 s ALA 139 Cb 0.05 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 3cf8 s ALA 139 CO -0.00 0.48 -0.12 -0.65 0.00 0.00 0.00 175.76 175.46 3cf8 s GLN 140 N -0.47 0.82 -0.11 0.00 -0.21 0.15 -0.69 119.66 119.14 3cf8 s GLN 140 Ca 0.07 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.78 3cf8 s GLN 140 Cb -0.12 -0.79 0.02 0.00 1.00 0.00 0.00 33.01 33.12 3cf8 s GLN 140 CO 0.02 0.19 -0.12 0.08 -2.12 0.00 0.00 175.29 173.35 3cf8 s VAL 141 N -0.82 1.29 -1.51 1.09 1.01 -0.32 -0.51 120.40 120.62 3cf8 s VAL 141 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 3cf8 s VAL 141 Cb -0.07 -1.22 0.08 0.00 0.00 0.00 0.00 36.38 35.16 3cf8 s VAL 141 CO 0.01 0.40 0.96 -0.67 0.00 0.00 0.00 175.10 175.80 3cf8 n ASP 142 N 4.51 -4.95 0.00 3.32 2.03 -1.26 -1.78 116.55 118.42 3cf8 n ASP 142 Ca -0.17 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.42 3cf8 n ASP 142 Cb 0.51 -3.95 0.00 0.00 -0.72 0.00 0.00 41.12 36.96 3cf8 n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3cf8 n GLY 143 N -1.68 2.53 3.84 0.27 0.00 -1.26 -5.03 105.19 103.86 3cf8 n GLY 143 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3cf8 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf8 s LYS 144 N -0.29 3.89 -0.22 1.61 1.02 -0.73 -5.06 119.74 119.96 3cf8 s LYS 144 Ca 0.00 0.37 -0.29 0.00 0.02 0.00 0.00 55.97 56.07 3cf8 s LYS 144 Cb 0.00 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 3cf8 s LYS 144 CO 0.00 0.65 1.37 0.08 -0.92 0.00 0.00 175.35 176.54 3cf8 s VAL 145 N -1.17 4.06 -0.08 3.17 1.01 -1.26 -1.17 120.40 124.96 3cf8 s VAL 145 Ca 0.26 1.24 0.19 0.00 0.00 0.00 0.00 61.98 63.67 3cf8 s VAL 145 Cb -0.16 -3.97 -0.29 0.00 0.00 0.00 0.00 36.38 31.96 3cf8 s VAL 145 CO 0.15 -0.30 0.32 1.33 0.00 0.00 0.00 175.10 176.60 3cf8 n VAL 146 N 5.93 0.40 -3.58 2.92 0.24 0.13 -4.54 118.33 119.83 3cf8 n VAL 146 Ca 0.15 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.34 61.76 3cf8 n VAL 146 Cb 0.45 -0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.64 3cf8 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cf8 s ALA 147 N -3.10 -1.23 0.05 2.33 0.00 -1.09 -0.65 121.76 118.08 3cf8 s ALA 147 Ca -0.08 0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.29 3cf8 s ALA 147 Cb 0.11 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 3cf8 s ALA 147 CO 0.81 -0.55 -0.04 -1.83 0.00 0.00 0.00 175.76 174.16 3cf8 s GLU 148 N -2.85 0.59 -0.14 0.00 -1.05 -0.57 -1.05 118.70 113.63 3cf8 s GLU 148 Ca -0.03 -1.11 -0.30 0.00 -0.15 0.00 0.00 54.97 53.38 3cf8 s GLU 148 Cb -0.00 0.10 0.12 0.00 -0.44 0.00 0.00 34.13 33.91 3cf8 s GLU 148 CO -0.05 -0.08 0.97 0.00 0.95 0.00 0.00 175.26 177.05 3cf8 s ALA 149 N -3.31 -1.91 0.03 -0.84 0.00 -0.93 -1.68 121.76 113.11 3cf8 s ALA 149 Ca 0.03 1.53 0.08 0.00 0.00 0.00 0.00 51.96 53.59 3cf8 s ALA 149 Cb 0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3cf8 s ALA 149 CO -0.07 -0.34 -0.22 -1.21 0.00 0.00 0.00 175.76 173.92 3cf8 s GLU 150 N -1.27 2.01 0.01 0.00 2.02 0.12 -1.74 118.70 119.85 3cf8 s GLU 150 Ca -0.02 -1.00 -0.01 0.00 0.02 0.00 0.00 54.97 53.96 3cf8 s GLU 150 Cb -0.00 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 3cf8 s GLU 150 CO 0.01 0.54 0.01 -0.51 0.02 0.00 0.00 175.26 175.33 3cf8 s LEU 151 N -1.20 2.06 -0.06 1.80 1.02 0.93 -1.10 118.68 122.13 3cf8 s LEU 151 Ca 0.13 -0.30 0.03 0.00 0.02 0.00 0.00 54.13 54.01 3cf8 s LEU 151 Cb -0.10 0.16 0.01 0.00 0.02 0.00 0.00 46.19 46.28 3cf8 s LEU 151 CO 0.03 -0.22 -0.15 -0.75 0.02 0.00 0.00 176.35 175.28 3cf8 s LYS 152 N -1.00 1.76 0.13 1.70 2.20 -0.91 -0.28 119.74 123.34 3cf8 s LYS 152 Ca -0.11 -0.51 0.05 0.00 -0.36 0.00 0.00 55.97 55.04 3cf8 s LYS 152 Cb -0.07 -1.47 -0.04 0.00 -1.51 0.00 0.00 37.83 34.74 3cf8 s LYS 152 CO -0.00 0.12 -0.12 0.00 -0.36 0.00 0.00 175.35 174.99 3cf8 s ALA 153 N 0.37 1.41 -0.07 3.13 0.00 0.11 -0.35 121.76 126.36 3cf8 s ALA 153 Ca -0.10 -1.36 0.05 0.00 0.00 0.00 0.00 51.96 50.55 3cf8 s ALA 153 Cb -0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3cf8 s ALA 153 CO 0.03 -0.01 -0.23 1.41 0.00 0.00 0.00 175.76 176.96 3cf8 s MET 154 N -3.17 2.75 -0.01 0.00 1.75 0.63 -0.14 119.30 121.10 3cf8 s MET 154 Ca 0.12 -0.86 -0.24 0.00 -1.25 0.00 0.00 55.69 53.45 3cf8 s MET 154 Cb -0.01 -2.26 -0.05 0.00 2.84 0.00 0.00 34.83 35.35 3cf8 s MET 154 CO 0.01 0.34 0.75 0.42 -0.65 0.00 0.00 175.02 175.89 3cf8 s ILE 155 N -0.04 4.88 0.23 10.11 -1.09 0.96 -1.11 121.20 135.14 3cf8 s ILE 155 Ca -0.07 1.56 -0.08 0.00 -2.23 0.00 0.00 60.65 59.84 3cf8 s ILE 155 Cb -0.15 -4.09 -0.02 0.00 -1.58 0.00 0.00 42.46 36.62 3cf8 s ILE 155 CO 0.05 0.31 0.33 0.00 -1.23 0.00 0.00 174.94 174.40 3cf8 s ALA 156 N 0.36 0.36 0.20 9.38 0.00 -0.50 -4.85 121.76 126.70 3cf8 s ALA 156 Ca 0.39 -1.23 -0.25 0.00 0.00 0.00 0.00 51.96 50.87 3cf8 s ALA 156 Cb -0.19 1.21 -0.08 0.00 0.00 0.00 0.00 23.12 24.05 3cf8 s ALA 156 CO 0.21 -0.74 0.80 -1.21 0.00 0.00 0.00 175.76 174.82 3cf8 s GLU 157 N -4.08 4.54 0.00 0.00 0.41 -1.26 -0.94 118.70 117.38 3cf8 s GLU 157 Ca 0.30 1.16 0.21 0.00 -0.41 0.00 0.00 54.97 56.22 3cf8 s GLU 157 Cb 0.03 -3.15 1.25 0.00 -1.78 0.00 0.00 34.13 30.47 3cf8 s GLU 157 CO 0.10 0.51 1.63 -2.13 -0.49 0.00 0.00 175.26 174.89