#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs3 n GLY 2 N 0.00 1.19 1.40 -5.12 0.00 -1.26 -4.75 105.19 96.65 2bs3 n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bs3 n GLY 2 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2bs3 n ARG 3 N -1.46 -2.75 -3.19 1.61 1.85 -1.26 -2.43 116.66 109.03 2bs3 n ARG 3 Ca 0.00 2.10 -0.39 0.00 -1.00 0.00 0.00 57.85 58.56 2bs3 n ARG 3 Cb 0.00 -2.72 -0.06 0.00 -1.05 0.00 0.00 32.46 28.63 2bs3 n ARG 3 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2bs3 s MET 4 N -4.32 4.34 -0.01 2.89 -1.94 -1.26 -1.62 119.30 117.38 2bs3 s MET 4 Ca 0.00 0.62 -0.05 0.00 -1.71 0.00 0.00 55.69 54.55 2bs3 s MET 4 Cb 0.00 -3.47 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 2bs3 s MET 4 CO 0.00 0.04 0.23 -0.51 -0.01 0.00 0.00 175.02 174.77 2bs3 s LEU 5 N 0.96 4.37 -0.33 -0.03 1.43 0.27 -4.87 118.68 120.48 2bs3 s LEU 5 Ca 0.30 0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 53.82 2bs3 s LEU 5 Cb -0.16 -2.62 0.04 0.00 0.03 0.00 0.00 46.19 43.48 2bs3 s LEU 5 CO 0.13 0.26 0.08 -0.89 0.23 0.00 0.00 176.35 176.16 2bs3 s THR 6 N -1.30 3.60 -0.30 5.49 2.01 0.15 -1.36 115.64 123.94 2bs3 s THR 6 Ca 0.27 -1.20 -0.11 0.00 0.31 0.00 0.00 61.69 60.96 2bs3 s THR 6 Cb -0.13 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2bs3 s THR 6 CO 0.16 -0.17 0.18 -0.63 -0.69 0.00 0.00 174.62 173.48 2bs3 s ILE 7 N 1.37 5.10 -0.23 1.82 -1.09 0.05 -0.96 121.20 127.26 2bs3 s ILE 7 Ca -0.02 -0.04 -0.06 0.00 -2.23 0.00 0.00 60.65 58.30 2bs3 s ILE 7 Cb -0.20 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 2bs3 s ILE 7 CO 0.02 0.17 0.02 -0.13 -1.23 0.00 0.00 174.94 173.79 2bs3 s ARG 8 N 1.72 3.56 -0.04 2.79 0.52 0.26 -0.30 118.95 127.45 2bs3 s ARG 8 Ca 0.06 -0.53 0.07 0.00 -0.52 0.00 0.00 55.73 54.81 2bs3 s ARG 8 Cb -0.16 -3.19 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 2bs3 s ARG 8 CO 0.09 -0.16 -0.25 0.08 0.02 0.00 0.00 175.30 175.09 2bs3 s VAL 9 N 1.48 1.98 0.11 3.52 1.01 0.80 0.21 120.40 129.51 2bs3 s VAL 9 Ca 0.06 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 2bs3 s VAL 9 Cb -0.15 -1.66 -0.07 0.00 0.00 0.00 0.00 36.38 34.51 2bs3 s VAL 9 CO 0.01 0.55 1.18 0.12 0.00 0.00 0.00 175.10 176.96 2bs3 s PHE 10 N -0.34 3.47 -0.04 5.22 5.36 -0.63 -0.66 117.98 130.36 2bs3 s PHE 10 Ca 0.02 1.39 0.01 0.00 -0.96 0.00 0.00 56.93 57.39 2bs3 s PHE 10 Cb -0.12 -3.39 0.02 0.00 -0.34 0.00 0.00 43.02 39.18 2bs3 s PHE 10 CO 0.01 -1.13 -0.06 0.15 -1.46 0.00 0.00 175.22 172.74 2bs3 s LYS 11 N 0.50 0.86 -0.29 10.12 1.02 0.50 -4.33 119.74 128.11 2bs3 s LYS 11 Ca 0.56 -0.16 -0.16 0.00 0.02 0.00 0.00 55.97 56.22 2bs3 s LYS 11 Cb -0.30 -0.83 0.14 0.00 -0.52 0.00 0.00 37.83 36.32 2bs3 s LYS 11 CO 0.32 -0.02 0.94 -0.47 -0.92 0.00 0.00 175.35 175.20 2bs3 s TYR 12 N 0.66 -0.63 -0.49 3.18 5.04 -1.26 -1.67 117.35 122.18 2bs3 s TYR 12 Ca -0.09 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 2bs3 s TYR 12 Cb -0.12 0.38 0.13 0.00 0.35 0.00 0.00 41.96 42.69 2bs3 s TYR 12 CO 0.00 -0.31 0.26 0.34 -1.34 0.00 0.00 175.55 174.50 2bs3 s ASP 13 N 1.43 4.90 0.66 4.32 -1.08 -1.26 -1.77 116.67 123.87 2bs3 s ASP 13 Ca -0.09 -2.58 0.44 0.00 -0.52 0.00 0.00 52.55 49.80 2bs3 s ASP 13 Cb -0.04 -1.75 2.38 0.00 -1.46 0.00 0.00 42.92 42.06 2bs3 s ASP 13 CO -0.16 -0.37 2.34 1.55 0.52 0.00 0.00 175.17 179.05 2bs3 h PRO 14 N 7.22 0.00 0.00 4.34 0.13 -1.93 -1.46 132.00 140.31 2bs3 h PRO 14 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2bs3 h PRO 14 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2bs3 h PRO 14 CO 0.67 0.00 -0.30 1.04 -0.23 0.00 0.00 178.00 179.18 2bs3 n GLN 15 N -3.05 0.14 -3.70 0.86 6.02 -1.26 -4.75 117.38 111.65 2bs3 n GLN 15 Ca -0.03 0.07 -0.36 0.00 -0.01 0.00 0.00 57.00 56.67 2bs3 n GLN 15 Cb 0.08 -1.62 -0.10 0.00 1.02 0.00 0.00 30.24 29.62 2bs3 n GLN 15 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2bs3 s SER 16 N -3.70 6.04 0.46 1.08 0.15 -0.55 -4.99 113.70 112.21 2bs3 s SER 16 Ca 0.10 0.11 0.21 0.00 0.70 0.00 0.00 55.95 57.07 2bs3 s SER 16 Cb 0.16 -2.08 1.14 0.00 -1.71 0.00 0.00 66.02 63.52 2bs3 s SER 16 CO 0.64 0.08 1.98 0.00 1.20 0.00 0.00 173.24 177.14 2bs3 h ALA 17 N 7.40 1.38 -0.01 5.45 0.00 -1.85 -2.91 119.26 128.73 2bs3 h ALA 17 Ca -0.38 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2bs3 h ALA 17 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2bs3 h ALA 17 CO 0.67 0.25 -0.40 1.33 0.00 0.00 0.00 179.25 181.09 2bs3 n VAL 18 N -3.89 0.00 -2.43 0.00 0.24 -1.26 -4.93 118.33 106.06 2bs3 n VAL 18 Ca -0.02 -0.11 -0.40 0.00 -2.04 0.00 0.00 64.34 61.77 2bs3 n VAL 18 Cb 0.29 0.55 -0.04 0.00 -1.47 0.00 0.00 33.84 33.17 2bs3 n VAL 18 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2bs3 s SER 19 N -2.64 7.20 -0.02 -1.34 0.15 -1.10 -5.04 113.70 110.91 2bs3 s SER 19 Ca 0.19 2.30 0.04 0.00 0.70 0.00 0.00 55.95 59.19 2bs3 s SER 19 Cb 0.18 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.86 2bs3 s SER 19 CO 0.59 -0.20 -0.15 -0.54 1.20 0.00 0.00 173.24 174.14 2bs3 s LYS 20 N -1.34 1.35 0.21 5.44 1.02 -1.26 -4.84 119.74 120.32 2bs3 s LYS 20 Ca 0.46 -0.54 -0.31 0.00 0.02 0.00 0.00 55.97 55.59 2bs3 s LYS 20 Cb -0.33 -1.27 -0.11 0.00 -0.52 0.00 0.00 37.83 35.61 2bs3 s LYS 20 CO 0.42 0.29 1.61 -1.25 -0.92 0.00 0.00 175.35 175.50 2bs3 s PRO 21 N -0.21 4.17 0.22 -1.68 0.04 -1.26 -4.69 135.00 131.58 2bs3 s PRO 21 Ca 0.03 2.48 -0.23 0.00 0.04 0.00 0.00 61.00 63.32 2bs3 s PRO 21 Cb -0.08 -3.10 0.04 0.00 0.04 0.00 0.00 34.50 31.41 2bs3 s PRO 21 CO 0.00 -0.64 0.83 -3.38 0.04 0.00 0.00 177.00 173.85 2bs3 s HIS 22 N 0.84 -0.16 -0.01 0.56 -3.43 -0.67 -5.02 115.29 107.41 2bs3 s HIS 22 Ca 0.69 -0.24 -0.00 0.00 -0.80 0.00 0.00 55.06 54.72 2bs3 s HIS 22 Cb -0.46 0.68 -0.04 0.00 -1.43 0.00 0.00 32.58 31.33 2bs3 s HIS 22 CO 0.36 -1.05 0.07 -0.06 -2.00 0.00 0.00 174.74 172.06 2bs3 s PHE 23 N -3.60 3.26 -0.02 0.38 0.08 -1.26 -0.37 117.98 116.45 2bs3 s PHE 23 Ca 0.12 0.19 0.05 0.00 0.12 0.00 0.00 56.93 57.41 2bs3 s PHE 23 Cb -0.04 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2bs3 s PHE 23 CO 0.05 0.54 -0.18 -1.14 -0.10 0.00 0.00 175.22 174.39 2bs3 s GLN 24 N -1.71 1.56 0.03 0.44 0.74 0.17 -4.92 119.66 115.96 2bs3 s GLN 24 Ca 0.22 -0.64 0.03 0.00 0.05 0.00 0.00 55.36 55.03 2bs3 s GLN 24 Cb -0.12 -1.46 -0.04 0.00 1.10 0.00 0.00 33.01 32.50 2bs3 s GLN 24 CO 0.13 0.35 -0.01 -1.21 -0.55 0.00 0.00 175.29 174.00 2bs3 s GLU 25 N -0.29 2.68 0.04 1.67 2.02 -1.26 -0.14 118.70 123.42 2bs3 s GLU 25 Ca 0.04 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.37 2bs3 s GLU 25 Cb -0.08 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.52 2bs3 s GLU 25 CO 0.00 0.60 -0.10 0.71 0.02 0.00 0.00 175.26 176.48 2bs3 s TYR 26 N -1.13 0.90 -0.29 1.61 1.51 0.59 -4.97 117.35 115.58 2bs3 s TYR 26 Ca 0.21 -0.42 -0.07 0.00 -1.01 0.00 0.00 57.07 55.78 2bs3 s TYR 26 Cb -0.11 -0.53 0.00 0.00 -0.11 0.00 0.00 41.96 41.21 2bs3 s TYR 26 CO 0.12 -0.02 0.07 0.15 -1.11 0.00 0.00 175.55 174.77 2bs3 s LYS 27 N -1.39 3.18 -0.05 -0.62 -0.14 -1.26 -0.77 119.74 118.69 2bs3 s LYS 27 Ca -0.04 -0.80 0.04 0.00 -1.36 0.00 0.00 55.97 53.81 2bs3 s LYS 27 Cb -0.09 -3.35 -0.00 0.00 -1.68 0.00 0.00 37.83 32.72 2bs3 s LYS 27 CO 0.01 -0.40 -0.17 0.42 -0.76 0.00 0.00 175.35 174.45 2bs3 s ILE 28 N 1.51 1.43 -0.25 2.17 -1.09 -0.47 -4.94 121.20 119.56 2bs3 s ILE 28 Ca 0.03 -0.70 -0.25 0.00 -2.23 0.00 0.00 60.65 57.50 2bs3 s ILE 28 Cb -0.17 -1.24 -0.00 0.00 -1.58 0.00 0.00 42.46 39.48 2bs3 s ILE 28 CO 0.02 0.41 0.87 -0.70 -1.23 0.00 0.00 174.94 174.31 2bs3 s GLU 29 N 0.15 4.17 0.55 2.79 2.12 -1.26 0.96 118.70 128.18 2bs3 s GLU 29 Ca -0.06 0.98 -0.21 0.00 0.36 0.00 0.00 54.97 56.04 2bs3 s GLU 29 Cb -0.13 -3.66 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 2bs3 s GLU 29 CO 0.03 -0.57 1.23 -2.00 -0.54 0.00 0.00 175.26 173.41 2bs3 s GLU 30 N 2.94 3.22 0.20 4.30 2.12 -0.64 -4.95 118.70 125.89 2bs3 s GLU 30 Ca 0.36 1.90 0.03 0.00 0.36 0.00 0.00 54.97 57.63 2bs3 s GLU 30 Cb -0.15 -2.13 -0.05 0.00 0.26 0.00 0.00 34.13 32.07 2bs3 s GLU 30 CO 0.08 -1.03 -0.01 0.00 -0.54 0.00 0.00 175.26 173.76 2bs3 s ALA 31 N -1.52 1.59 0.27 6.30 0.00 -1.26 -4.40 121.76 122.75 2bs3 s ALA 31 Ca 0.73 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 2bs3 s ALA 31 Cb -0.32 0.48 -0.12 0.00 0.00 0.00 0.00 23.12 23.15 2bs3 s ALA 31 CO 0.37 -0.27 1.49 -2.30 0.00 0.00 0.00 175.76 175.05 2bs3 n PRO 32 N -0.33 2.36 -2.85 0.00 -0.02 -1.26 -2.39 135.00 130.50 2bs3 n PRO 32 Ca -0.06 0.84 -0.20 0.00 -2.02 0.00 0.00 63.50 62.06 2bs3 n PRO 32 Cb 0.63 -2.55 0.01 0.00 -0.02 0.00 0.00 33.50 31.57 2bs3 n PRO 32 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2bs3 n SER 33 N 2.02 -5.01 -4.73 2.55 7.64 -1.26 -4.94 113.62 109.90 2bs3 n SER 33 Ca 0.09 -0.15 -0.41 0.00 1.01 0.00 0.00 58.87 59.41 2bs3 n SER 33 Cb 0.34 -4.13 -0.04 0.00 -1.01 0.00 0.00 64.21 59.38 2bs3 n SER 33 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2bs3 s MET 34 N -5.50 4.59 0.38 1.43 0.00 -1.01 -5.01 119.30 114.18 2bs3 s MET 34 Ca 0.20 1.59 0.08 0.00 0.00 0.00 0.00 55.69 57.56 2bs3 s MET 34 Cb -0.10 -3.35 -0.06 0.00 0.00 0.00 0.00 34.83 31.32 2bs3 s MET 34 CO 0.25 0.03 0.10 0.95 0.00 0.00 0.00 175.02 176.34 2bs3 s THR 35 N 0.32 2.43 0.46 10.11 -4.23 -1.26 -1.68 115.64 121.79 2bs3 s THR 35 Ca 0.51 -1.83 0.18 0.00 -1.18 0.00 0.00 61.69 59.37 2bs3 s THR 35 Cb -0.26 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 70.88 2bs3 s THR 35 CO 0.31 -0.08 2.04 0.40 -0.54 0.00 0.00 174.62 176.75 2bs3 h ILE 36 N 1.62 0.97 0.01 2.99 1.08 -1.19 -1.26 117.51 121.73 2bs3 h ILE 36 Ca -0.43 -0.49 0.01 0.00 -0.39 0.00 0.00 64.86 63.56 2bs3 h ILE 36 Cb 1.25 1.27 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 2bs3 h ILE 36 CO 0.70 0.13 -0.07 0.15 -0.69 0.00 0.00 178.15 178.37 2bs3 h PHE 37 N 0.00 -0.18 -0.62 1.37 3.57 -1.84 0.12 116.94 119.35 2bs3 h PHE 37 Ca -0.00 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2bs3 h PHE 37 Cb 0.26 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 2bs3 h PHE 37 CO 0.00 -0.12 0.25 0.82 -2.23 0.00 0.00 178.31 177.03 2bs3 h ILE 38 N -0.13 1.23 0.12 1.41 2.04 -1.74 -2.29 117.51 118.15 2bs3 h ILE 38 Ca 0.03 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2bs3 h ILE 38 Cb 0.16 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2bs3 h ILE 38 CO -0.07 0.28 -0.10 0.58 0.00 0.00 0.00 178.15 178.84 2bs3 h VAL 39 N 0.87 0.77 -0.62 1.67 2.07 -0.83 -1.10 116.25 119.07 2bs3 h VAL 39 Ca 0.21 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 2bs3 h VAL 39 Cb 0.20 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2bs3 h VAL 39 CO -0.02 0.00 0.22 -0.07 0.02 0.00 0.00 177.57 177.72 2bs3 h LEU 40 N -0.24 0.84 -0.73 2.57 3.38 -0.71 -1.36 115.31 119.06 2bs3 h LEU 40 Ca -0.00 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 2bs3 h LEU 40 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2bs3 h LEU 40 CO -0.02 0.77 -0.58 0.78 0.09 0.00 0.00 178.44 179.49 2bs3 h ASN 41 N 0.89 0.19 -0.36 -0.43 2.35 -1.28 -0.60 115.58 116.35 2bs3 h ASN 41 Ca 0.21 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 2bs3 h ASN 41 Cb 0.21 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2bs3 h ASN 41 CO -0.01 0.73 0.05 0.24 -1.65 0.00 0.00 177.43 176.78 2bs3 h MET 42 N 0.13 0.61 -0.46 0.81 2.86 -0.77 -1.05 114.93 117.05 2bs3 h MET 42 Ca -0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2bs3 h MET 42 Cb 1.06 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 2bs3 h MET 42 CO 0.09 0.68 0.29 0.82 1.06 0.00 0.00 176.91 179.85 2bs3 h ILE 43 N 0.44 1.13 0.05 -1.22 2.04 -1.05 -1.21 117.51 117.69 2bs3 h ILE 43 Ca 0.11 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 2bs3 h ILE 43 Cb 0.38 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2bs3 h ILE 43 CO 0.01 0.13 -0.02 -0.09 0.00 0.00 0.00 178.15 178.18 2bs3 h ARG 44 N 0.62 -0.06 0.00 2.37 2.43 -0.89 0.76 114.38 119.61 2bs3 h ARG 44 Ca 0.17 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2bs3 h ARG 44 Cb -0.03 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2bs3 h ARG 44 CO -0.03 0.01 -0.25 0.93 -1.51 0.00 0.00 179.97 179.12 2bs3 h GLU 45 N -0.12 0.00 0.00 0.20 5.08 -1.12 -3.09 114.58 115.52 2bs3 h GLU 45 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2bs3 h GLU 45 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2bs3 h GLU 45 CO 0.01 0.25 -0.45 0.25 -1.00 0.00 0.00 179.01 178.07 2bs3 n THR 46 N -3.27 0.00 -0.01 1.13 -2.24 -0.46 -4.95 114.28 104.46 2bs3 n THR 46 Ca 0.01 -0.09 -0.02 0.00 -2.27 0.00 0.00 64.05 61.68 2bs3 n THR 46 Cb 0.52 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 2bs3 n THR 46 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2bs3 n TYR 47 N -0.85 0.00 -3.29 4.78 4.02 0.33 -5.02 117.16 117.12 2bs3 n TYR 47 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 2bs3 n TYR 47 Cb 0.00 -0.10 -0.05 0.00 -0.02 0.00 0.00 39.34 39.17 2bs3 n TYR 47 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2bs3 s ASP 48 N -4.65 0.03 0.00 7.72 2.15 0.24 -4.99 116.67 117.18 2bs3 s ASP 48 Ca -0.04 -1.08 0.16 0.00 0.43 0.00 0.00 52.55 52.02 2bs3 s ASP 48 Cb 0.01 1.17 0.93 0.00 -0.30 0.00 0.00 42.92 44.73 2bs3 s ASP 48 CO 0.06 -0.24 1.37 -0.81 -0.17 0.00 0.00 175.17 175.38 2bs3 n PRO 49 N 4.50 0.63 0.11 4.34 -0.04 -1.17 -3.15 135.00 140.23 2bs3 n PRO 49 Ca 0.09 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.37 2bs3 n PRO 49 Cb 0.50 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 2bs3 n PRO 49 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2bs3 h ASP 50 N 0.00 0.59 -1.93 3.54 3.58 -1.94 -3.47 116.42 116.79 2bs3 h ASP 50 Ca 0.00 -0.61 -0.64 0.00 0.42 0.00 0.00 57.03 56.20 2bs3 h ASP 50 Cb 0.00 -0.19 0.03 0.00 1.72 0.00 0.00 39.33 40.90 2bs3 h ASP 50 CO 0.00 1.47 0.85 -0.11 -2.88 0.00 0.00 179.24 178.57 2bs3 n LEU 51 N -3.62 2.79 -4.81 2.28 7.94 -1.19 -4.99 117.00 115.40 2bs3 n LEU 51 Ca -0.11 1.05 -0.37 0.00 -1.11 0.00 0.00 56.01 55.47 2bs3 n LEU 51 Cb 1.03 -1.30 -0.07 0.00 0.53 0.00 0.00 43.42 43.61 2bs3 n LEU 51 CO 0.56 -0.38 -0.07 0.20 -1.11 0.00 0.00 177.39 176.59 2bs3 s ASN 52 N 2.43 6.48 0.12 1.96 -0.87 -1.26 -5.00 114.94 118.79 2bs3 s ASN 52 Ca 0.89 0.56 -0.25 0.00 -1.57 0.00 0.00 52.86 52.49 2bs3 s ASN 52 Cb -0.82 -2.14 0.07 0.00 -0.02 0.00 0.00 41.25 38.34 2bs3 s ASN 52 CO 0.50 0.29 0.75 0.72 -2.57 0.00 0.00 177.10 176.79 2bs3 s PHE 53 N -0.50 -0.38 -0.16 2.20 -0.12 -1.26 -1.93 117.98 115.83 2bs3 s PHE 53 Ca 0.16 0.15 0.00 0.00 -0.05 0.00 0.00 56.93 57.20 2bs3 s PHE 53 Cb -0.13 0.58 0.03 0.00 -0.63 0.00 0.00 43.02 42.87 2bs3 s PHE 53 CO 0.05 -0.80 -0.11 -0.51 -0.05 0.00 0.00 175.22 173.81 2bs3 s ASP 54 N -2.71 2.84 0.07 1.98 1.01 -1.26 -4.92 116.67 113.69 2bs3 s ASP 54 Ca 0.05 -0.60 0.06 0.00 0.71 0.00 0.00 52.55 52.77 2bs3 s ASP 54 Cb -0.02 -1.11 -0.03 0.00 1.01 0.00 0.00 42.92 42.77 2bs3 s ASP 54 CO -0.07 -0.11 -0.16 -0.36 0.21 0.00 0.00 175.17 174.68 2bs3 s PHE 55 N 1.51 1.37 0.00 4.23 0.08 -1.26 -3.27 117.98 120.64 2bs3 s PHE 55 Ca 0.03 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.64 2bs3 s PHE 55 Cb -0.14 -0.77 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 2bs3 s PHE 55 CO -0.09 0.09 0.00 0.28 -0.10 0.00 0.00 175.22 175.40 2bs3 n VAL 56 N 1.34 0.00 0.12 -0.44 0.31 -1.26 -4.96 118.33 113.44 2bs3 n VAL 56 Ca -0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.12 2bs3 n VAL 56 Cb 0.54 -0.14 0.04 0.00 -0.91 0.00 0.00 33.84 33.37 2bs3 n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bs3 n ARG 58 N -3.40 -1.69 -0.04 0.00 -4.01 -1.26 -4.76 116.66 101.50 2bs3 n ARG 58 Ca 0.00 0.66 0.01 0.00 -1.04 0.00 0.00 57.85 57.48 2bs3 n ARG 58 Cb 0.76 -5.05 0.01 0.00 -3.04 0.00 0.00 32.46 25.14 2bs3 n ARG 58 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2bs3 n ALA 59 N -0.75 1.62 -1.42 2.89 0.00 -1.26 -4.90 120.51 116.69 2bs3 n ALA 59 Ca -0.13 -0.94 -0.10 0.00 0.00 0.00 0.00 53.44 52.27 2bs3 n ALA 59 Cb 0.49 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 2bs3 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bs3 n GLY 60 N -0.34 0.98 0.03 0.00 0.00 -1.26 -4.91 105.19 99.69 2bs3 n GLY 60 Ca 0.01 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.49 2bs3 n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bs3 n ILE 61 N -2.89 0.32 0.02 -0.61 5.41 -1.26 -4.75 119.36 115.60 2bs3 n ILE 61 Ca -0.10 -0.37 0.10 0.00 1.00 0.00 0.00 62.75 63.38 2bs3 n ILE 61 Cb 0.37 -0.15 -0.12 0.00 -0.71 0.00 0.00 39.64 39.02 2bs3 n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bs3 n GLY 63 N 1.26 0.46 0.16 0.00 0.00 -1.26 -4.80 105.19 101.02 2bs3 n GLY 63 Ca -0.04 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 2bs3 n GLY 63 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2bs3 h SER 64 N 0.00 0.60 -0.66 1.61 0.87 -1.88 -3.38 113.55 110.71 2bs3 h SER 64 Ca 0.00 -0.47 -0.31 0.00 -1.23 0.00 0.00 61.79 59.78 2bs3 h SER 64 Cb 0.00 -0.18 -0.19 0.00 -0.44 0.00 0.00 62.40 61.59 2bs3 h SER 64 CO 0.00 1.27 0.39 0.00 -0.53 0.00 0.00 176.83 177.96 2bs3 s GLY 66 N -0.63 2.98 0.04 0.00 0.00 -1.26 -2.19 107.32 106.27 2bs3 s GLY 66 Ca 0.40 1.25 -0.28 0.00 0.00 0.00 0.00 44.72 46.10 2bs3 s GLY 66 CO 0.08 1.89 0.92 -3.16 0.00 0.00 0.00 173.10 172.83 2bs3 s MET 67 N -1.90 0.92 -0.26 2.90 0.23 -0.54 -4.49 119.30 116.15 2bs3 s MET 67 Ca 0.51 -0.41 -0.27 0.00 -1.03 0.00 0.00 55.69 54.49 2bs3 s MET 67 Cb -0.39 0.38 0.01 0.00 -1.53 0.00 0.00 34.83 33.29 2bs3 s MET 67 CO 0.52 -0.41 0.97 -1.64 -2.03 0.00 0.00 175.02 172.43 2bs3 s MET 68 N -3.15 4.18 -0.30 3.16 -1.94 0.82 -0.54 119.30 121.54 2bs3 s MET 68 Ca 0.07 1.14 0.01 0.00 -1.71 0.00 0.00 55.69 55.21 2bs3 s MET 68 Cb -0.01 -3.67 0.07 0.00 2.01 0.00 0.00 34.83 33.23 2bs3 s MET 68 CO -0.05 -0.66 -0.03 0.42 -0.01 0.00 0.00 175.02 174.69 2bs3 s ILE 69 N 3.18 2.52 -1.40 2.53 1.01 -0.14 -1.01 121.20 127.88 2bs3 s ILE 69 Ca 0.41 -1.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.28 2bs3 s ILE 69 Cb -0.14 -2.55 0.04 0.00 0.01 0.00 0.00 42.46 39.81 2bs3 s ILE 69 CO 0.09 -0.20 0.89 0.59 0.00 0.00 0.00 174.94 176.31 2bs3 n ASN 70 N 4.47 -3.27 0.00 3.58 4.13 -0.44 -2.32 115.26 121.40 2bs3 n ASN 70 Ca -0.10 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 55.40 2bs3 n ASN 70 Cb 0.42 -4.16 0.00 0.00 -1.54 0.00 0.00 39.78 34.51 2bs3 n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bs3 n GLY 71 N -1.64 1.43 3.17 7.41 0.00 -1.26 -5.04 105.19 109.26 2bs3 n GLY 71 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2bs3 n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bs3 s ARG 72 N -0.34 2.82 -0.01 1.61 1.81 -0.98 -5.05 118.95 118.81 2bs3 s ARG 72 Ca 0.00 -0.79 -0.30 0.00 -1.72 0.00 0.00 55.73 52.92 2bs3 s ARG 72 Cb 0.00 -2.19 -0.06 0.00 -0.45 0.00 0.00 34.95 32.24 2bs3 s ARG 72 CO 0.00 0.10 1.58 -1.25 -0.68 0.00 0.00 175.30 175.05 2bs3 s PRO 73 N 0.55 4.21 0.21 3.54 0.04 -1.26 -0.97 135.00 141.32 2bs3 s PRO 73 Ca -0.15 2.16 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 2bs3 s PRO 73 Cb -0.17 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.57 2bs3 s PRO 73 CO 0.05 -0.75 0.25 -1.12 0.04 0.00 0.00 177.00 175.47 2bs3 s SER 74 N 2.68 0.07 -0.36 6.66 0.01 0.30 -4.92 113.70 118.16 2bs3 s SER 74 Ca 0.71 -1.22 -0.23 0.00 1.31 0.00 0.00 55.95 56.52 2bs3 s SER 74 Cb -0.34 0.45 0.01 0.00 0.21 0.00 0.00 66.02 66.34 2bs3 s SER 74 CO 0.29 -0.94 0.76 -0.76 0.41 0.00 0.00 173.24 173.01 2bs3 s LEU 75 N -3.11 4.14 0.29 2.44 1.43 -1.26 -1.47 118.68 121.14 2bs3 s LEU 75 Ca 0.33 0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 53.78 2bs3 s LEU 75 Cb 0.04 -3.00 0.46 0.00 0.03 0.00 0.00 46.19 43.73 2bs3 s LEU 75 CO 0.10 -0.70 1.92 0.00 0.23 0.00 0.00 176.35 177.91 2bs3 h ALA 76 N 8.43 1.45 0.00 4.21 0.00 -1.78 -1.85 119.26 129.72 2bs3 h ALA 76 Ca -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2bs3 h ALA 76 Cb 1.10 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2bs3 h ALA 76 CO 0.90 0.45 0.00 0.00 0.00 0.00 0.00 179.25 180.59 2bs3 n ARG 78 N -2.62 2.35 -3.76 0.00 0.63 -0.72 -4.78 116.66 107.76 2bs3 n ARG 78 Ca 0.00 -1.94 -0.36 0.00 -0.92 0.00 0.00 57.85 54.63 2bs3 n ARG 78 Cb 0.18 -1.30 -0.11 0.00 0.45 0.00 0.00 32.46 31.68 2bs3 n ARG 78 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2bs3 s THR 79 N -1.03 4.96 -0.11 5.15 2.01 -0.85 -5.00 115.64 120.78 2bs3 s THR 79 Ca 0.25 0.04 -0.14 0.00 0.31 0.00 0.00 61.69 62.15 2bs3 s THR 79 Cb 0.14 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 2bs3 s THR 79 CO 0.18 0.36 0.32 -0.76 -0.69 0.00 0.00 174.62 174.03 2bs3 s LEU 80 N 1.14 4.33 0.41 4.42 1.43 -1.26 -1.53 118.68 127.61 2bs3 s LEU 80 Ca 0.06 0.65 0.10 0.00 -1.03 0.00 0.00 54.13 53.91 2bs3 s LEU 80 Cb -0.14 -2.42 0.86 0.00 0.03 0.00 0.00 46.19 44.52 2bs3 s LEU 80 CO 0.04 0.19 1.98 0.71 0.23 0.00 0.00 176.35 179.50 2bs3 h THR 81 N 4.33 1.14 -0.98 5.49 1.35 -1.65 -2.58 112.91 120.01 2bs3 h THR 81 Ca -0.46 -0.55 0.24 0.00 -0.55 0.00 0.00 66.41 65.09 2bs3 h THR 81 Cb 1.19 1.02 -0.08 0.00 -1.73 0.00 0.00 68.15 68.55 2bs3 h THR 81 CO 0.69 0.18 0.64 0.50 -0.25 0.00 0.00 175.52 177.29 2bs3 h LYS 82 N 0.28 0.38 0.00 4.72 3.64 -1.94 -0.74 116.57 122.90 2bs3 h LYS 82 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2bs3 h LYS 82 Cb 0.23 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2bs3 h LYS 82 CO 0.01 0.25 0.00 -0.25 -2.27 0.00 0.00 179.45 177.19 2bs3 n ASP 83 N -4.55 0.00 -4.11 4.20 8.00 -0.97 -4.29 116.55 114.84 2bs3 n ASP 83 Ca 0.22 -0.69 -0.37 0.00 0.71 0.00 0.00 54.79 54.67 2bs3 n ASP 83 Cb 0.80 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.83 2bs3 n ASP 83 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2bs3 s PHE 84 N -2.00 3.67 -0.99 1.24 0.40 -0.29 -5.00 117.98 115.02 2bs3 s PHE 84 Ca 0.25 -2.86 -0.24 0.00 -0.60 0.00 0.00 56.93 53.48 2bs3 s PHE 84 Cb 0.12 -3.24 -0.05 0.00 0.51 0.00 0.00 43.02 40.35 2bs3 s PHE 84 CO 0.20 -0.79 1.93 -2.00 0.70 0.00 0.00 175.22 175.25 2bs3 s GLU 85 N -0.75 2.59 0.00 0.44 2.56 -1.26 -1.68 118.70 120.59 2bs3 s GLU 85 Ca 0.23 -0.59 0.00 0.00 0.00 0.00 0.00 54.97 54.61 2bs3 s GLU 85 Cb -0.13 -5.13 0.00 0.00 2.00 0.00 0.00 34.13 30.87 2bs3 s GLU 85 CO -0.09 -3.50 0.00 -3.47 -0.56 0.00 0.00 175.26 167.64 2bs3 n ASP 86 N 13.87 0.00 0.00 -1.70 -0.08 -1.26 -4.98 116.55 122.40 2bs3 n ASP 86 Ca 0.41 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 2bs3 n ASP 86 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 2bs3 n ASP 86 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bs3 n GLY 87 N 0.00 0.58 3.24 0.27 0.00 -0.68 -4.96 105.19 103.64 2bs3 n GLY 87 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2bs3 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs3 s VAL 88 N -2.48 3.19 -0.17 1.61 1.01 -1.26 0.35 120.40 122.65 2bs3 s VAL 88 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2bs3 s VAL 88 Cb 0.00 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.78 2bs3 s VAL 88 CO 0.00 0.18 -0.19 -0.63 0.00 0.00 0.00 175.10 174.46 2bs3 s ILE 89 N 1.38 1.98 -0.22 2.22 1.01 -0.13 -4.99 121.20 122.45 2bs3 s ILE 89 Ca 0.01 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 2bs3 s ILE 89 Cb -0.17 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2bs3 s ILE 89 CO -0.03 0.53 0.05 -0.89 0.00 0.00 0.00 174.94 174.60 2bs3 s THR 90 N 1.31 4.34 -0.18 2.92 2.01 -1.26 -0.58 115.64 124.20 2bs3 s THR 90 Ca 0.05 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 2bs3 s THR 90 Cb -0.13 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 2bs3 s THR 90 CO -0.12 0.40 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.42 2bs3 s LEU 91 N 1.09 3.21 0.10 4.42 1.43 0.13 -1.33 118.68 127.74 2bs3 s LEU 91 Ca 0.04 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 2bs3 s LEU 91 Cb -0.14 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2bs3 s LEU 91 CO 0.03 0.12 -0.17 -0.76 0.23 0.00 0.00 176.35 175.79 2bs3 s LEU 92 N 0.67 2.32 0.76 1.79 1.43 -0.18 -1.60 118.68 123.87 2bs3 s LEU 92 Ca -0.02 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 2bs3 s LEU 92 Cb -0.14 -0.68 0.05 0.00 0.03 0.00 0.00 46.19 45.44 2bs3 s LEU 92 CO 0.02 -0.03 1.08 -2.16 0.23 0.00 0.00 176.35 175.49 2bs3 s PRO 93 N -2.04 2.40 0.17 1.29 0.04 -1.26 -0.13 135.00 135.47 2bs3 s PRO 93 Ca 0.04 1.08 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 2bs3 s PRO 93 Cb -0.09 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 2bs3 s PRO 93 CO 0.03 -1.52 1.53 -0.51 0.04 0.00 0.00 177.00 176.58 2bs3 s LEU 94 N -5.83 4.37 0.87 -3.56 1.43 -1.26 -4.35 118.68 110.36 2bs3 s LEU 94 Ca 0.60 2.60 -0.13 0.00 -1.03 0.00 0.00 54.13 56.17 2bs3 s LEU 94 Cb -0.16 -3.60 0.12 0.00 0.03 0.00 0.00 46.19 42.58 2bs3 s LEU 94 CO 0.56 -0.79 1.19 -2.16 0.23 0.00 0.00 176.35 175.38 2bs3 s PRO 95 N 0.89 1.44 0.00 1.29 0.04 -1.26 -4.00 135.00 133.40 2bs3 s PRO 95 Ca 0.68 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2bs3 s PRO 95 Cb -0.43 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2bs3 s PRO 95 CO 0.33 -1.95 0.00 0.00 0.04 0.00 0.00 177.00 175.42 2bs3 n ALA 96 N -3.55 0.00 -2.48 8.56 0.00 -1.26 -4.33 120.51 117.45 2bs3 n ALA 96 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.33 2bs3 n ALA 96 Cb 0.60 -0.33 -0.11 0.00 0.00 0.00 0.00 19.45 19.61 2bs3 n ALA 96 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bs3 s PHE 97 N -2.61 1.60 0.09 0.00 0.08 -1.26 -4.97 117.98 110.91 2bs3 s PHE 97 Ca 0.00 -0.51 -0.31 0.00 0.12 0.00 0.00 56.93 56.23 2bs3 s PHE 97 Cb 0.00 -0.82 -0.08 0.00 -0.57 0.00 0.00 43.02 41.55 2bs3 s PHE 97 CO 0.00 0.23 1.48 0.21 -0.10 0.00 0.00 175.22 177.04 2bs3 s LYS 98 N -2.70 4.27 0.13 0.44 2.20 -1.26 -4.84 119.74 117.97 2bs3 s LYS 98 Ca 0.12 2.15 -0.30 0.00 -0.36 0.00 0.00 55.97 57.58 2bs3 s LYS 98 Cb -0.05 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 2bs3 s LYS 98 CO 0.05 -0.56 1.03 -1.17 -0.36 0.00 0.00 175.35 174.33 2bs3 s LEU 99 N 1.73 4.49 -0.19 5.43 2.96 -1.26 -0.80 118.68 131.04 2bs3 s LEU 99 Ca 0.67 1.92 -0.16 0.00 -0.22 0.00 0.00 54.13 56.34 2bs3 s LEU 99 Cb -0.37 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.65 2bs3 s LEU 99 CO 0.30 -0.15 -0.30 -0.38 -1.32 0.00 0.00 176.35 174.51 2bs3 n ILE 100 N 2.69 1.49 -3.64 6.68 5.41 0.24 -4.89 119.36 127.33 2bs3 n ILE 100 Ca 0.03 0.08 -0.05 0.00 1.00 0.00 0.00 62.75 63.81 2bs3 n ILE 100 Cb 0.48 -2.29 -0.07 0.00 -0.71 0.00 0.00 39.64 37.05 2bs3 n ILE 100 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2bs3 s LYS 101 N -2.71 0.30 3.62 0.38 2.20 -0.89 -4.41 119.74 118.24 2bs3 s LYS 101 Ca -0.28 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 2bs3 s LYS 101 Cb 0.05 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 2bs3 s LYS 101 CO 0.40 -0.04 0.00 -0.25 -0.36 0.00 0.00 175.35 175.10 2bs3 n ASP 102 N 2.34 0.00 -0.99 1.43 8.00 -0.73 -0.32 116.55 126.29 2bs3 n ASP 102 Ca -0.13 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.49 2bs3 n ASP 102 Cb 0.56 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.88 2bs3 n ASP 102 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bs3 n LEU 103 N 0.00 3.02 -4.66 0.64 4.77 -0.81 -4.27 117.00 115.69 2bs3 n LEU 103 Ca 0.00 -1.19 -0.38 0.00 -0.03 0.00 0.00 56.01 54.40 2bs3 n LEU 103 Cb 0.00 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 2bs3 n LEU 103 CO 0.00 0.60 0.06 -0.55 -1.33 0.00 0.00 177.39 176.17 2bs3 s SER 104 N -1.69 6.37 0.27 -1.43 0.15 0.57 -4.69 113.70 113.25 2bs3 s SER 104 Ca 0.35 0.43 0.04 0.00 0.70 0.00 0.00 55.95 57.47 2bs3 s SER 104 Cb 0.21 -2.21 -0.06 0.00 -1.71 0.00 0.00 66.02 62.25 2bs3 s SER 104 CO 0.31 -0.08 -0.00 0.68 1.20 0.00 0.00 173.24 175.34 2bs3 s VAL 105 N 1.43 1.23 -0.91 4.45 -7.23 -1.26 -0.60 120.40 117.52 2bs3 s VAL 105 Ca 0.17 -2.05 -0.14 0.00 -1.81 0.00 0.00 61.98 58.15 2bs3 s VAL 105 Cb -0.15 -2.49 0.20 0.00 0.56 0.00 0.00 36.38 34.50 2bs3 s VAL 105 CO 0.08 -0.23 0.93 -0.62 -0.31 0.00 0.00 175.10 174.95 2bs3 s ASP 106 N -3.39 6.82 -0.08 4.85 -1.08 0.02 -4.78 116.67 119.03 2bs3 s ASP 106 Ca 0.31 -2.67 -0.10 0.00 -0.52 0.00 0.00 52.55 49.57 2bs3 s ASP 106 Cb 0.06 -2.26 -0.29 0.00 -1.46 0.00 0.00 42.92 38.97 2bs3 s ASP 106 CO 0.11 -0.66 0.55 0.71 0.52 0.00 0.00 175.17 176.41 2bs3 h THR 107 N 4.88 0.84 -0.55 1.71 1.35 -1.96 -3.37 112.91 115.80 2bs3 h THR 107 Ca 0.14 -2.44 0.11 0.00 -0.55 0.00 0.00 66.41 63.67 2bs3 h THR 107 Cb 1.01 2.67 -0.10 0.00 -1.73 0.00 0.00 68.15 69.99 2bs3 h THR 107 CO 0.89 0.86 -0.10 1.23 -0.25 0.00 0.00 175.52 178.14 2bs3 h GLY 108 N 0.74 0.45 2.00 5.82 0.00 -1.90 -1.07 103.07 109.10 2bs3 h GLY 108 Ca -0.37 0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 2bs3 h GLY 108 CO 0.13 -0.20 -0.53 3.43 0.00 0.00 0.00 176.54 179.38 2bs3 h ASN 109 N 0.03 0.00 -0.34 0.19 2.35 -1.98 -1.57 115.58 114.26 2bs3 h ASN 109 Ca 0.27 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 2bs3 h ASN 109 Cb 0.42 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2bs3 h ASN 109 CO -0.54 0.53 -0.17 -0.25 -1.65 0.00 0.00 177.43 175.35 2bs3 h TRP 110 N 0.00 0.82 -0.78 1.19 7.01 -1.57 -2.09 115.95 120.53 2bs3 h TRP 110 Ca -0.01 -0.20 -0.05 0.00 2.11 0.00 0.00 58.89 60.74 2bs3 h TRP 110 Cb 1.15 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.99 2bs3 h TRP 110 CO 0.00 0.92 0.29 0.74 -2.79 0.00 0.00 178.44 177.60 2bs3 h PHE 111 N 0.49 1.20 -0.69 2.65 0.04 -1.03 0.79 116.94 120.39 2bs3 h PHE 111 Ca 0.08 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 2bs3 h PHE 111 Cb 0.70 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 2bs3 h PHE 111 CO 0.06 0.92 0.28 -0.91 -0.60 0.00 0.00 178.31 178.06 2bs3 h ASN 112 N 1.14 0.94 -0.65 2.17 2.35 -1.23 0.26 115.58 120.56 2bs3 h ASN 112 Ca 0.26 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 2bs3 h ASN 112 Cb 0.24 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2bs3 h ASN 112 CO -0.02 0.83 0.08 1.23 -1.65 0.00 0.00 177.43 177.90 2bs3 h GLY 113 N 1.07 1.18 0.90 2.83 0.00 -0.73 -1.71 103.07 106.62 2bs3 h GLY 113 Ca 0.23 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 2bs3 h GLY 113 CO -0.02 0.75 0.08 1.98 0.00 0.00 0.00 176.54 179.32 2bs3 h MET 114 N 1.02 0.49 -0.85 4.80 1.85 -0.05 -0.67 114.93 121.53 2bs3 h MET 114 Ca 0.20 -0.12 0.03 0.00 -0.61 0.00 0.00 59.70 59.20 2bs3 h MET 114 Cb 0.47 -0.07 -0.05 0.00 0.43 0.00 0.00 31.60 32.39 2bs3 h MET 114 CO 0.02 0.56 0.56 0.77 -0.40 0.00 0.00 176.91 178.42 2bs3 h SER 115 N 0.34 0.92 -0.25 1.39 0.02 -0.29 -1.34 113.55 114.34 2bs3 h SER 115 Ca 0.10 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.84 2bs3 h SER 115 Cb 0.29 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2bs3 h SER 115 CO 0.00 0.64 -0.60 1.56 -1.14 0.00 0.00 176.83 177.29 2bs3 h GLN 116 N 1.07 0.85 -0.90 3.45 4.20 -1.09 0.32 115.11 123.01 2bs3 h GLN 116 Ca 0.33 -0.58 0.02 0.00 0.06 0.00 0.00 58.65 58.48 2bs3 h GLN 116 Cb 0.00 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 2bs3 h GLN 116 CO -0.09 1.20 0.59 -0.09 -0.67 0.00 0.00 178.83 179.77 2bs3 h ARG 117 N 0.64 1.15 -0.65 1.46 2.43 -0.34 -1.66 114.38 117.41 2bs3 h ARG 117 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2bs3 h ARG 117 Cb 1.22 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2bs3 h ARG 117 CO 0.13 0.76 0.00 1.33 -1.51 0.00 0.00 179.97 180.68 2bs3 n VAL 118 N -4.48 0.88 -3.64 0.20 0.24 -0.58 -4.95 118.33 106.00 2bs3 n VAL 118 Ca 0.10 -0.87 -0.26 0.00 -2.04 0.00 0.00 64.34 61.27 2bs3 n VAL 118 Cb 0.04 0.43 0.02 0.00 -1.47 0.00 0.00 33.84 32.86 2bs3 n VAL 118 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2bs3 n GLU 119 N 1.40 -1.22 -1.32 7.34 1.02 -0.62 -4.79 120.64 122.44 2bs3 n GLU 119 Ca 0.22 0.68 -0.41 0.00 -0.02 0.00 0.00 57.16 57.62 2bs3 n GLU 119 Cb 0.55 -3.80 -0.03 0.00 -0.02 0.00 0.00 31.44 28.14 2bs3 n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bs3 n SER 120 N -2.46 3.37 -3.46 1.62 2.88 0.11 -4.81 113.62 110.87 2bs3 n SER 120 Ca -0.13 -2.71 -0.10 0.00 -1.33 0.00 0.00 58.87 54.60 2bs3 n SER 120 Cb 0.60 -1.31 -0.02 0.00 -0.75 0.00 0.00 64.21 62.72 2bs3 n SER 120 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2bs3 s TRP 121 N 4.17 -0.45 0.12 0.66 -2.14 -1.26 -5.00 118.94 115.04 2bs3 s TRP 121 Ca 0.53 0.28 -0.31 0.00 2.66 0.00 0.00 56.10 59.26 2bs3 s TRP 121 Cb 0.14 0.55 -0.09 0.00 -3.10 0.00 0.00 33.47 30.97 2bs3 s TRP 121 CO 0.03 -0.70 1.56 0.42 -2.66 0.00 0.00 176.95 175.60 2bs3 s ILE 122 N -3.41 2.89 -0.35 0.66 -1.09 -1.26 -4.99 121.20 113.66 2bs3 s ILE 122 Ca 0.03 0.55 -0.09 0.00 -2.23 0.00 0.00 60.65 58.91 2bs3 s ILE 122 Cb -0.01 -3.36 0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2bs3 s ILE 122 CO -0.11 0.03 0.15 -1.00 -1.23 0.00 0.00 174.94 172.78 2bs3 s HIS 123 N 1.66 3.23 -0.02 3.97 3.76 -1.26 -5.03 115.29 121.59 2bs3 s HIS 123 Ca 0.70 -1.05 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 2bs3 s HIS 123 Cb -0.41 -2.36 0.01 0.00 1.11 0.00 0.00 32.58 30.93 2bs3 s HIS 123 CO 0.31 -0.64 0.06 0.00 -0.85 0.00 0.00 174.74 173.62 2bs3 s ALA 124 N 1.51 -0.15 0.04 -1.40 0.00 -1.26 -0.49 121.76 120.00 2bs3 s ALA 124 Ca 0.01 0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.90 2bs3 s ALA 124 Cb -0.19 -0.09 -0.14 0.00 0.00 0.00 0.00 23.12 22.70 2bs3 s ALA 124 CO 0.05 -0.04 1.44 1.96 0.00 0.00 0.00 175.76 179.17 2bs3 h GLN 125 N 5.95 0.21 -6.32 0.00 1.08 -1.97 -3.45 115.11 110.61 2bs3 h GLN 125 Ca -0.25 -0.07 -0.67 0.00 -1.45 0.00 0.00 58.65 56.20 2bs3 h GLN 125 Cb 1.21 -0.01 -0.17 0.00 -0.05 0.00 0.00 27.48 28.45 2bs3 h GLN 125 CO 0.46 0.49 -0.70 -1.59 -0.95 0.00 0.00 178.83 176.54 2bs3 s LYS 126 N -4.82 2.51 -0.04 1.46 -2.85 -1.26 -5.10 119.74 109.64 2bs3 s LYS 126 Ca -0.14 -0.76 -0.25 0.00 -1.00 0.00 0.00 55.97 53.82 2bs3 s LYS 126 Cb 0.05 -2.48 -0.04 0.00 -2.06 0.00 0.00 37.83 33.30 2bs3 s LYS 126 CO 0.71 0.59 0.76 -1.21 0.10 0.00 0.00 175.35 176.29 2bs3 s GLU 127 N -1.56 4.46 0.30 1.78 2.02 -1.26 -5.04 118.70 119.41 2bs3 s GLU 127 Ca 0.18 0.99 -0.28 0.00 0.02 0.00 0.00 54.97 55.88 2bs3 s GLU 127 Cb -0.11 -3.44 -0.09 0.00 0.10 0.00 0.00 34.13 30.59 2bs3 s GLU 127 CO 0.09 0.07 1.02 -1.58 0.02 0.00 0.00 175.26 174.88 2bs3 s HIS 128 N 0.72 3.66 -0.09 1.61 5.65 -1.26 -4.97 115.29 120.60 2bs3 s HIS 128 Ca 0.40 1.77 -0.29 0.00 0.25 0.00 0.00 55.06 57.18 2bs3 s HIS 128 Cb -0.19 -3.11 -0.04 0.00 -1.18 0.00 0.00 32.58 28.06 2bs3 s HIS 128 CO 0.20 -0.15 1.56 0.34 -0.65 0.00 0.00 174.74 176.04 2bs3 s ASP 129 N -1.22 6.71 0.00 9.88 -1.08 -1.26 -4.88 116.67 124.82 2bs3 s ASP 129 Ca 0.47 2.06 0.27 0.00 -0.52 0.00 0.00 52.55 54.83 2bs3 s ASP 129 Cb -0.26 -2.53 1.51 0.00 -1.46 0.00 0.00 42.92 40.18 2bs3 s ASP 129 CO 0.33 -0.91 1.96 2.30 0.52 0.00 0.00 175.17 179.36 2bs3 n ILE 130 N 5.53 0.07 1.11 4.11 -5.35 -1.26 -2.54 119.36 121.03 2bs3 n ILE 130 Ca 0.17 0.02 0.12 0.00 -0.27 0.00 0.00 62.75 62.78 2bs3 n ILE 130 Cb 0.43 -0.58 0.18 0.00 -1.74 0.00 0.00 39.64 37.93 2bs3 n ILE 130 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2bs3 n SER 131 N -1.13 2.29 -4.81 7.28 3.41 -1.26 -4.95 113.62 114.46 2bs3 n SER 131 Ca 0.17 -1.68 -0.24 0.00 -0.26 0.00 0.00 58.87 56.86 2bs3 n SER 131 Cb 0.15 0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 2bs3 n SER 131 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bs3 s LYS 132 N -2.17 2.33 0.45 4.33 1.02 -1.05 -5.09 119.74 119.56 2bs3 s LYS 132 Ca 0.27 -1.79 -0.24 0.00 0.02 0.00 0.00 55.97 54.23 2bs3 s LYS 132 Cb 0.20 -2.11 -0.09 0.00 -0.52 0.00 0.00 37.83 35.30 2bs3 s LYS 132 CO 0.40 -0.23 1.28 1.28 -0.92 0.00 0.00 175.35 177.15 2bs3 n LEU 133 N -1.42 4.29 -4.78 3.17 7.99 -1.26 -4.96 117.00 120.03 2bs3 n LEU 133 Ca -0.00 1.07 -0.32 0.00 -0.01 0.00 0.00 56.01 56.75 2bs3 n LEU 133 Cb 0.64 -1.51 0.05 0.00 -0.11 0.00 0.00 43.42 42.49 2bs3 n LEU 133 CO 0.43 -0.68 0.72 -1.83 -1.51 0.00 0.00 177.39 174.53 2bs3 s GLU 134 N -2.35 2.79 0.31 3.23 1.03 -1.26 -4.97 118.70 117.47 2bs3 s GLU 134 Ca 0.63 1.25 -0.29 0.00 0.03 0.00 0.00 54.97 56.59 2bs3 s GLU 134 Cb -0.48 -1.96 -0.10 0.00 -0.80 0.00 0.00 34.13 30.79 2bs3 s GLU 134 CO 0.56 -1.24 1.24 -1.21 -1.33 0.00 0.00 175.26 173.28 2bs3 s GLU 135 N -4.40 4.45 0.44 -4.83 2.02 -1.26 -4.97 118.70 110.15 2bs3 s GLU 135 Ca 0.64 2.07 -0.23 0.00 0.02 0.00 0.00 54.97 57.47 2bs3 s GLU 135 Cb -0.18 -3.12 -0.08 0.00 0.10 0.00 0.00 34.13 30.85 2bs3 s GLU 135 CO 0.46 -0.06 1.10 1.03 0.02 0.00 0.00 175.26 177.81 2bs3 s ARG 136 N -1.57 3.92 -0.01 1.61 0.52 -1.26 -5.06 118.95 117.10 2bs3 s ARG 136 Ca 0.48 1.60 -0.00 0.00 -0.52 0.00 0.00 55.73 57.29 2bs3 s ARG 136 Cb -0.37 -2.41 0.01 0.00 0.52 0.00 0.00 34.95 32.71 2bs3 s ARG 136 CO 0.48 -0.38 0.02 0.42 0.02 0.00 0.00 175.30 175.86 2bs3 s ILE 137 N -1.66 -0.03 0.25 1.52 -1.09 -1.26 -5.12 121.20 113.81 2bs3 s ILE 137 Ca 0.62 0.10 -0.31 0.00 -2.23 0.00 0.00 60.65 58.83 2bs3 s ILE 137 Cb -0.24 -0.05 -0.11 0.00 -1.58 0.00 0.00 42.46 40.48 2bs3 s ILE 137 CO 0.29 0.04 1.58 -1.61 -1.23 0.00 0.00 174.94 174.01 2bs3 s GLU 138 N 0.49 4.17 0.43 2.79 0.41 -1.26 -4.87 118.70 120.86 2bs3 s GLU 138 Ca -0.04 2.49 0.16 0.00 -0.41 0.00 0.00 54.97 57.17 2bs3 s GLU 138 Cb -0.06 -3.07 1.07 0.00 -1.78 0.00 0.00 34.13 30.30 2bs3 s GLU 138 CO -0.01 -0.60 1.92 -1.00 -0.49 0.00 0.00 175.26 175.07 2bs3 h PRO 139 N 5.50 0.38 -0.42 0.39 0.13 -2.00 -0.49 132.00 135.50 2bs3 h PRO 139 Ca -0.45 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2bs3 h PRO 139 Cb 1.21 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2bs3 h PRO 139 CO 0.83 0.25 -0.11 0.93 -0.23 0.00 0.00 178.00 179.68 2bs3 h GLU 140 N 0.39 0.75 -0.33 0.86 3.07 -1.99 -1.79 114.58 115.53 2bs3 h GLU 140 Ca 0.37 -0.24 -0.09 0.00 -0.50 0.00 0.00 59.36 58.90 2bs3 h GLU 140 Cb 0.89 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 2bs3 h GLU 140 CO -0.12 0.83 -0.15 0.28 -1.40 0.00 0.00 179.01 178.46 2bs3 h VAL 141 N 0.68 1.29 -0.89 3.13 2.07 -1.48 -1.44 116.25 119.61 2bs3 h VAL 141 Ca 0.12 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.39 2bs3 h VAL 141 Cb 0.58 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 2bs3 h VAL 141 CO 0.04 0.41 0.59 0.00 0.02 0.00 0.00 177.57 178.63 2bs3 h ALA 142 N 0.78 1.13 -0.67 1.67 0.00 -1.22 -1.30 119.26 119.65 2bs3 h ALA 142 Ca 0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2bs3 h ALA 142 Cb 0.68 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2bs3 h ALA 142 CO 0.05 0.53 0.10 0.37 0.00 0.00 0.00 179.25 180.30 2bs3 h GLN 143 N 1.21 1.12 -0.47 0.00 5.75 -1.15 -0.97 115.11 120.60 2bs3 h GLN 143 Ca 0.33 -0.31 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 2bs3 h GLN 143 Cb -0.14 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.26 2bs3 h GLN 143 CO -0.07 1.03 0.09 0.93 -2.65 0.00 0.00 178.83 178.16 2bs3 h GLU 144 N 1.04 0.76 -0.41 1.69 5.08 -0.74 -1.53 114.58 120.48 2bs3 h GLU 144 Ca 0.20 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2bs3 h GLU 144 Cb 0.46 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2bs3 h GLU 144 CO 0.02 0.77 0.17 0.28 -1.00 0.00 0.00 179.01 179.24 2bs3 h VAL 145 N 0.64 1.19 -0.79 3.13 2.07 -1.10 -2.76 116.25 118.63 2bs3 h VAL 145 Ca 0.14 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.16 2bs3 h VAL 145 Cb 0.36 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 2bs3 h VAL 145 CO 0.01 0.21 0.46 0.15 0.02 0.00 0.00 177.57 178.42 2bs3 h PHE 146 N 0.52 0.84 -0.79 1.57 3.57 -0.97 -0.39 116.94 121.28 2bs3 h PHE 146 Ca 0.14 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.79 2bs3 h PHE 146 Cb 0.17 -0.26 -0.08 0.00 2.79 0.00 0.00 35.95 38.57 2bs3 h PHE 146 CO -0.00 0.38 0.40 1.49 -2.23 0.00 0.00 178.31 178.35 2bs3 h GLU 147 N 0.81 0.61 0.00 1.11 4.81 -0.98 -0.97 114.58 119.98 2bs3 h GLU 147 Ca 0.37 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2bs3 h GLU 147 Cb 0.26 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2bs3 h GLU 147 CO -0.21 0.40 -0.55 -0.07 -0.73 0.00 0.00 179.01 177.85 2bs3 h LEU 148 N 0.63 0.00 0.00 1.64 3.38 -1.37 -3.25 115.31 116.34 2bs3 h LEU 148 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2bs3 h LEU 148 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2bs3 h LEU 148 CO -0.32 0.05 0.00 -0.67 0.09 0.00 0.00 178.44 177.59 2bs3 n ASP 149 N -2.90 0.00 0.00 -0.43 2.03 -0.21 -3.52 116.55 111.52 2bs3 n ASP 149 Ca 0.01 0.18 0.08 0.00 0.52 0.00 0.00 54.79 55.59 2bs3 n ASP 149 Cb 0.56 -0.39 0.36 0.00 -0.72 0.00 0.00 41.12 40.94 2bs3 n ASP 149 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2bs3 n ARG 150 N -1.39 0.00 -1.64 -0.67 1.74 -0.70 -4.84 116.66 109.16 2bs3 n ARG 150 Ca 0.10 0.21 -0.48 0.00 -0.77 0.00 0.00 57.85 56.91 2bs3 n ARG 150 Cb 0.27 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 2bs3 n ARG 150 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bs3 n ILE 152 N 3.08 1.91 -4.10 0.00 -5.35 -1.26 -4.97 119.36 108.67 2bs3 n ILE 152 Ca 0.17 -1.36 -0.29 0.00 -0.27 0.00 0.00 62.75 61.01 2bs3 n ILE 152 Cb 0.25 0.05 -0.04 0.00 -1.74 0.00 0.00 39.64 38.16 2bs3 n ILE 152 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2bs3 n GLU 153 N 0.57 -2.61 0.15 6.28 1.02 -1.26 -4.17 120.64 120.62 2bs3 n GLU 153 Ca 0.23 0.31 0.04 0.00 -0.02 0.00 0.00 57.16 57.72 2bs3 n GLU 153 Cb 0.85 -4.36 0.05 0.00 -0.02 0.00 0.00 31.44 27.96 2bs3 n GLU 153 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bs3 n GLY 155 N 1.21 1.09 0.33 0.00 0.00 -1.26 -4.56 105.19 102.00 2bs3 n GLY 155 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 2bs3 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 h ILE 158 N 0.00 1.38 0.00 0.00 1.08 -1.71 -3.22 117.51 115.04 2bs3 h ILE 158 Ca 0.00 -2.45 -0.07 0.00 -0.39 0.00 0.00 64.86 61.95 2bs3 h ILE 158 Cb 0.70 3.03 -0.01 0.00 -3.07 0.00 0.00 36.82 37.47 2bs3 h ILE 158 CO 0.00 0.67 -0.35 0.00 -0.69 0.00 0.00 178.15 177.78 2bs3 h ALA 159 N -0.01 1.02 0.00 1.87 0.00 -1.21 -2.97 119.26 117.96 2bs3 h ALA 159 Ca -0.18 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2bs3 h ALA 159 Cb 1.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2bs3 h ALA 159 CO 0.08 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2bs3 h ALA 160 N 1.65 1.00 -1.69 0.00 0.00 -1.27 -3.44 119.26 115.51 2bs3 h ALA 160 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2bs3 h ALA 160 Cb 0.86 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 2bs3 h ALA 160 CO 0.05 0.00 0.80 0.00 0.00 0.00 0.00 179.25 180.10 2bs3 h GLY 162 N 11.49 0.30 0.92 0.00 0.00 -1.87 -1.73 103.07 112.18 2bs3 h GLY 162 Ca -0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2bs3 h GLY 162 CO 1.14 0.07 0.12 -0.84 0.00 0.00 0.00 176.54 177.03 2bs3 h THR 163 N 0.24 1.16 -0.51 4.70 2.02 -1.94 -2.17 112.91 116.40 2bs3 h THR 163 Ca 0.18 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 2bs3 h THR 163 Cb 0.40 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2bs3 h THR 163 CO -0.03 0.16 0.19 0.11 0.37 0.00 0.00 175.52 176.32 2bs3 h LYS 164 N 0.30 0.78 -0.88 6.66 1.79 -1.55 0.16 116.57 123.83 2bs3 h LYS 164 Ca 0.09 -0.15 0.08 0.00 -2.18 0.00 0.00 60.65 58.49 2bs3 h LYS 164 Cb 0.14 -0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 30.60 2bs3 h LYS 164 CO -0.01 0.70 0.54 0.82 -1.08 0.00 0.00 179.45 180.42 2bs3 h ILE 165 N 0.69 1.00 0.23 1.86 2.04 -1.23 -2.93 117.51 119.17 2bs3 h ILE 165 Ca 0.17 -0.33 -0.32 0.00 1.00 0.00 0.00 64.86 65.38 2bs3 h ILE 165 Cb 0.22 -0.03 0.04 0.00 -0.74 0.00 0.00 36.82 36.31 2bs3 h ILE 165 CO -0.01 0.17 -1.41 0.24 0.00 0.00 0.00 178.15 177.14 2bs3 h MET 166 N 0.95 0.56 -3.95 2.37 2.86 -1.09 -3.42 114.93 113.20 2bs3 h MET 166 Ca 0.40 -0.90 -0.64 0.00 -2.06 0.00 0.00 59.70 56.50 2bs3 h MET 166 Cb 0.25 0.33 -0.40 0.00 0.06 0.00 0.00 31.60 31.83 2bs3 h MET 166 CO -0.20 1.43 -0.70 1.03 1.06 0.00 0.00 176.91 179.53 2bs3 s ARG 167 N -2.67 1.54 0.62 1.72 0.52 0.52 -5.00 118.95 116.20 2bs3 s ARG 167 Ca -0.09 -2.06 0.35 0.00 -0.52 0.00 0.00 55.73 53.41 2bs3 s ARG 167 Cb 0.04 -3.03 2.01 0.00 0.52 0.00 0.00 34.95 34.50 2bs3 s ARG 167 CO 0.94 -1.02 2.26 1.05 0.02 0.00 0.00 175.30 178.55 2bs3 h GLU 168 N 7.20 0.00 -0.00 3.54 4.11 -1.80 -2.22 114.58 125.40 2bs3 h GLU 168 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2bs3 h GLU 168 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2bs3 h GLU 168 CO 0.57 0.00 -0.04 -0.25 0.07 0.00 0.00 179.01 179.36 2bs3 n ASP 169 N -3.52 0.13 -4.73 3.06 8.00 -1.26 -4.85 116.55 113.38 2bs3 n ASP 169 Ca -0.02 -0.20 -0.42 0.00 0.71 0.00 0.00 54.79 54.85 2bs3 n ASP 169 Cb 0.12 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 2bs3 n ASP 169 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2bs3 n PHE 170 N -1.23 2.77 0.30 1.24 7.35 -0.83 -4.81 117.46 122.25 2bs3 n PHE 170 Ca 0.13 0.11 0.18 0.00 -0.76 0.00 0.00 57.45 57.12 2bs3 n PHE 170 Cb 0.26 -2.65 0.89 0.00 0.35 0.00 0.00 39.48 38.34 2bs3 n PHE 170 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 2bs3 h VAL 171 N 3.65 0.13 0.00 -2.13 3.04 -1.29 -3.49 116.25 116.16 2bs3 h VAL 171 Ca -0.44 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 2bs3 h VAL 171 Cb 1.21 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2bs3 h VAL 171 CO 0.90 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 178.10 2bs3 n GLY 172 N -0.53 -1.97 0.33 3.17 0.00 -1.26 -3.64 105.19 101.29 2bs3 n GLY 172 Ca -0.01 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.49 2bs3 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 h ALA 173 N 0.00 1.16 -0.46 4.61 0.00 -1.95 -1.78 119.26 120.85 2bs3 h ALA 173 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2bs3 h ALA 173 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2bs3 h ALA 173 CO 0.00 0.37 0.19 0.00 0.00 0.00 0.00 179.25 179.81 2bs3 h ALA 174 N 1.38 1.48 -0.18 0.00 0.00 -1.90 0.12 119.26 120.15 2bs3 h ALA 174 Ca 0.36 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 2bs3 h ALA 174 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2bs3 h ALA 174 CO -0.13 0.41 -0.65 0.78 0.00 0.00 0.00 179.25 179.65 2bs3 h GLY 175 N 0.79 0.75 1.24 0.00 0.00 -1.42 -1.75 103.07 102.69 2bs3 h GLY 175 Ca 0.16 -0.96 -0.14 0.00 0.00 0.00 0.00 47.33 46.39 2bs3 h GLY 175 CO -0.02 0.86 -0.30 1.41 0.00 0.00 0.00 176.54 178.49 2bs3 h LEU 176 N 0.50 0.88 -0.68 3.11 3.38 -0.93 -2.45 115.31 119.13 2bs3 h LEU 176 Ca -0.02 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 2bs3 h LEU 176 Cb 1.24 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2bs3 h LEU 176 CO 0.13 1.12 0.15 -1.13 0.09 0.00 0.00 178.44 178.79 2bs3 h ASN 177 N 0.72 1.05 -0.68 -0.43 -0.73 -0.94 -2.70 115.58 111.86 2bs3 h ASN 177 Ca 0.08 -0.24 -0.02 0.00 1.87 0.00 0.00 56.30 57.98 2bs3 h ASN 177 Cb 0.85 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 39.13 2bs3 h ASN 177 CO 0.08 1.02 0.34 -0.09 -0.37 0.00 0.00 177.43 178.41 2bs3 h ARG 178 N 1.03 0.99 -0.24 6.67 9.65 -1.13 -0.49 114.38 130.86 2bs3 h ARG 178 Ca 0.21 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 2bs3 h ARG 178 Cb 0.39 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 2bs3 h ARG 178 CO 0.01 0.76 0.10 0.28 2.80 0.00 0.00 179.97 183.92 2bs3 h VAL 179 N 0.99 1.17 -0.73 0.20 2.07 -1.20 -2.85 116.25 115.90 2bs3 h VAL 179 Ca 0.24 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 2bs3 h VAL 179 Cb 0.10 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2bs3 h VAL 179 CO -0.03 0.17 0.27 0.58 0.02 0.00 0.00 177.57 178.58 2bs3 h VAL 180 N 0.24 1.25 -0.69 2.57 2.07 -1.15 -0.81 116.25 119.73 2bs3 h VAL 180 Ca 0.08 -0.81 0.11 0.00 0.82 0.00 0.00 66.70 66.90 2bs3 h VAL 180 Cb 0.18 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 2bs3 h VAL 180 CO -0.01 0.32 0.46 -0.09 0.02 0.00 0.00 177.57 178.28 2bs3 h ARG 181 N 1.06 0.50 0.01 1.57 1.12 -0.88 -1.15 114.38 116.62 2bs3 h ARG 181 Ca 0.24 -0.03 -0.28 0.00 -1.11 0.00 0.00 59.98 58.80 2bs3 h ARG 181 Cb 0.23 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.03 2bs3 h ARG 181 CO -0.02 0.33 -1.60 0.74 -3.11 0.00 0.00 179.97 176.31 2bs3 h PHE 182 N 0.52 0.05 -0.70 2.20 0.04 -1.27 -3.28 116.94 114.49 2bs3 h PHE 182 Ca 0.33 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.11 2bs3 h PHE 182 Cb 0.57 -0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.67 2bs3 h PHE 182 CO -0.00 1.06 0.42 1.98 -0.60 0.00 0.00 178.31 181.17 2bs3 h MET 183 N 0.01 0.78 -0.15 1.51 4.05 -0.20 -2.08 114.93 118.85 2bs3 h MET 183 Ca -0.25 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 2bs3 h MET 183 Cb 1.98 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 32.60 2bs3 h MET 183 CO 0.09 0.52 0.00 0.44 0.23 0.00 0.00 176.91 178.19 2bs3 n ILE 184 N -4.71 0.19 -3.20 1.77 -5.35 -0.53 -4.80 119.36 102.74 2bs3 n ILE 184 Ca 0.08 -0.30 -0.41 0.00 -0.27 0.00 0.00 62.75 61.85 2bs3 n ILE 184 Cb 0.13 0.28 -0.07 0.00 -1.74 0.00 0.00 39.64 38.23 2bs3 n ILE 184 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2bs3 s ASP 185 N -1.54 6.39 0.63 7.28 -1.08 -0.78 -4.87 116.67 122.70 2bs3 s ASP 185 Ca 0.31 0.22 0.34 0.00 -0.52 0.00 0.00 52.55 52.90 2bs3 s ASP 185 Cb 0.16 -2.29 1.88 0.00 -1.46 0.00 0.00 42.92 41.22 2bs3 s ASP 185 CO 0.25 -0.45 2.15 -0.65 0.52 0.00 0.00 175.17 176.99 2bs3 h PRO 186 N 8.30 0.00 0.00 4.34 0.11 -1.87 -1.52 132.00 141.36 2bs3 h PRO 186 Ca -0.28 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2bs3 h PRO 186 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2bs3 h PRO 186 CO 0.77 0.00 -0.37 0.45 -0.21 0.00 0.00 178.00 178.64 2bs3 h HIS 187 N 0.00 0.00 -3.40 0.65 3.86 -1.92 -3.43 115.15 110.91 2bs3 h HIS 187 Ca 0.04 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.66 2bs3 h HIS 187 Cb 0.36 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.74 2bs3 h HIS 187 CO 0.00 0.37 0.02 0.34 0.86 0.00 0.00 177.93 179.52 2bs3 s ASP 188 N -6.44 6.69 0.00 2.45 -1.08 -0.57 -4.55 116.67 113.17 2bs3 s ASP 188 Ca 0.00 0.83 0.22 0.00 -0.52 0.00 0.00 52.55 53.08 2bs3 s ASP 188 Cb 0.11 -2.33 0.74 0.00 -1.46 0.00 0.00 42.92 39.98 2bs3 s ASP 188 CO 0.69 -0.17 1.55 -0.62 0.52 0.00 0.00 175.17 177.14 2bs3 n GLU 189 N 4.52 1.80 -1.98 4.34 1.02 0.35 -4.88 120.64 125.80 2bs3 n GLU 189 Ca -0.03 -1.19 -0.39 0.00 -0.02 0.00 0.00 57.16 55.53 2bs3 n GLU 189 Cb 0.50 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.52 2bs3 n GLU 189 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2bs3 s ARG 190 N -1.79 3.60 0.53 3.49 0.52 -1.26 -5.03 118.95 119.01 2bs3 s ARG 190 Ca 0.33 2.13 0.09 0.00 -0.52 0.00 0.00 55.73 57.76 2bs3 s ARG 190 Cb 0.18 -2.49 0.07 0.00 0.52 0.00 0.00 34.95 33.23 2bs3 s ARG 190 CO 0.27 -0.78 0.73 0.95 0.02 0.00 0.00 175.30 176.49 2bs3 s THR 191 N -1.33 2.37 0.34 0.02 -4.23 -1.26 -4.97 115.64 106.57 2bs3 s THR 191 Ca 0.64 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.16 2bs3 s THR 191 Cb -0.37 -2.37 0.27 0.00 1.34 0.00 0.00 72.50 71.36 2bs3 s THR 191 CO 0.46 0.00 2.00 0.44 -0.54 0.00 0.00 174.62 176.98 2bs3 h ASP 192 N 0.30 0.78 -0.44 3.99 5.19 -1.98 -1.95 116.42 122.31 2bs3 h ASP 192 Ca -0.32 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.01 2bs3 h ASP 192 Cb 1.29 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 2bs3 h ASP 192 CO 0.42 0.56 0.07 1.05 -3.12 0.00 0.00 179.24 178.22 2bs3 h GLU 193 N 0.92 0.80 -0.30 3.56 9.09 -1.96 -1.07 114.58 125.62 2bs3 h GLU 193 Ca 0.26 -0.19 -0.02 0.00 0.05 0.00 0.00 59.36 59.47 2bs3 h GLU 193 Cb -0.07 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 26.90 2bs3 h GLU 193 CO -0.06 0.76 0.13 -0.44 0.05 0.00 0.00 179.01 179.45 2bs3 h ASP 194 N 0.77 0.41 -0.19 3.06 3.32 -1.74 -2.55 116.42 119.50 2bs3 h ASP 194 Ca 0.16 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2bs3 h ASP 194 Cb 0.36 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2bs3 h ASP 194 CO 0.01 0.45 -0.00 1.88 -1.72 0.00 0.00 179.24 179.86 2bs3 h TYR 195 N 0.35 0.48 -0.83 4.55 0.05 -1.18 -2.20 116.97 118.18 2bs3 h TYR 195 Ca 0.10 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 2bs3 h TYR 195 Cb 0.16 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 2bs3 h TYR 195 CO -0.01 0.48 0.47 -0.92 -1.05 0.00 0.00 178.16 177.13 2bs3 h TYR 196 N 0.45 1.12 0.00 4.88 5.03 -0.81 -0.06 116.97 127.58 2bs3 h TYR 196 Ca 0.10 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.39 2bs3 h TYR 196 Cb 0.30 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.21 2bs3 h TYR 196 CO 0.01 0.76 0.00 0.93 -1.32 0.00 0.00 178.16 178.54 2bs3 h GLU 197 N 1.16 0.00 0.00 1.82 4.39 -1.03 0.49 114.58 121.41 2bs3 h GLU 197 Ca 0.30 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.83 2bs3 h GLU 197 Cb -0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2bs3 h GLU 197 CO -0.05 0.00 -1.03 -0.07 -1.16 0.00 0.00 179.01 176.70 2bs3 h LEU 198 N 0.00 0.00 -2.82 1.33 3.38 -1.00 -3.43 115.31 112.77 2bs3 h LEU 198 Ca 0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2bs3 h LEU 198 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2bs3 h LEU 198 CO 0.00 1.28 -0.08 2.30 0.09 0.00 0.00 178.44 182.03 2bs3 n ILE 199 N -4.49 1.53 -1.71 1.22 -6.64 -0.52 -4.86 119.36 103.89 2bs3 n ILE 199 Ca -0.25 -1.83 -0.35 0.00 -1.77 0.00 0.00 62.75 58.55 2bs3 n ILE 199 Cb 0.56 -0.08 -0.03 0.00 -1.44 0.00 0.00 39.64 38.65 2bs3 n ILE 199 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2bs3 n GLY 200 N -1.15 4.74 3.29 3.28 0.00 0.17 -1.70 105.19 113.81 2bs3 n GLY 200 Ca 0.13 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 2bs3 n GLY 200 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bs3 n ASP 201 N 1.84 -1.65 0.02 1.61 5.68 -1.26 -4.94 116.55 117.85 2bs3 n ASP 201 Ca 0.60 -2.64 0.07 0.00 -0.50 0.00 0.00 54.79 52.33 2bs3 n ASP 201 Cb 0.36 2.89 0.32 0.00 -1.14 0.00 0.00 41.12 43.55 2bs3 n ASP 201 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2bs3 n ASP 202 N -1.58 0.11 -0.34 -1.12 8.00 -1.26 -0.97 116.55 119.39 2bs3 n ASP 202 Ca -0.03 0.53 0.11 0.00 0.71 0.00 0.00 54.79 56.11 2bs3 n ASP 202 Cb 0.55 -0.55 0.07 0.00 -0.02 0.00 0.00 41.12 41.16 2bs3 n ASP 202 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2bs3 n ASP 203 N -1.63 1.58 0.00 -2.24 8.00 -1.26 -3.65 116.55 117.36 2bs3 n ASP 203 Ca 0.03 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.29 2bs3 n ASP 203 Cb 0.17 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 2bs3 n ASP 203 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs3 n GLY 204 N 1.42 2.11 0.34 0.44 0.00 -0.15 -0.86 105.19 108.50 2bs3 n GLY 204 Ca 0.09 -0.85 0.08 0.00 0.00 0.00 0.00 46.02 45.34 2bs3 n GLY 204 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bs3 h VAL 205 N 0.00 0.98 0.00 1.61 3.04 -1.43 -1.11 116.25 119.34 2bs3 h VAL 205 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2bs3 h VAL 205 Cb 0.00 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 29.67 2bs3 h VAL 205 CO 0.00 0.10 0.00 0.49 -1.01 0.00 0.00 177.57 177.15 2bs3 n PHE 206 N -4.48 0.00 0.86 3.17 3.72 -1.20 -2.40 117.46 117.13 2bs3 n PHE 206 Ca 0.08 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.60 2bs3 n PHE 206 Cb 0.26 -0.22 0.16 0.00 -0.94 0.00 0.00 39.48 38.74 2bs3 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bs3 n GLY 207 N 0.79 -1.24 3.72 1.37 0.00 -0.42 -4.87 105.19 104.54 2bs3 n GLY 207 Ca 0.14 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2bs3 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 n MET 209 N 3.81 3.21 -3.81 0.00 0.00 -1.26 -4.98 117.12 114.09 2bs3 n MET 209 Ca 0.10 -2.66 -0.25 0.00 0.00 0.00 0.00 57.70 54.88 2bs3 n MET 209 Cb 0.44 -1.67 0.02 0.00 0.00 0.00 0.00 33.22 32.02 2bs3 n MET 209 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2bs3 n THR 210 N 1.07 -3.44 0.17 2.03 -1.04 -1.26 -4.86 114.28 106.95 2bs3 n THR 210 Ca 0.22 -0.33 0.04 0.00 -2.04 0.00 0.00 64.05 61.94 2bs3 n THR 210 Cb 0.72 -3.30 0.26 0.00 -1.82 0.00 0.00 70.33 66.19 2bs3 n THR 210 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2bs3 h LEU 211 N -1.93 0.00 0.30 -4.42 3.38 -2.01 -3.47 115.31 107.16 2bs3 h LEU 211 Ca -0.60 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.24 2bs3 h LEU 211 Cb 1.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.07 2bs3 h LEU 211 CO 0.61 0.46 -0.12 0.18 0.09 0.00 0.00 178.44 179.66 2bs3 n LEU 212 N -3.55 0.04 0.19 1.67 4.77 -1.26 -4.85 117.00 114.01 2bs3 n LEU 212 Ca -0.00 0.15 0.04 0.00 -0.03 0.00 0.00 56.01 56.17 2bs3 n LEU 212 Cb 0.57 -2.19 0.38 0.00 -2.33 0.00 0.00 43.42 39.85 2bs3 n LEU 212 CO 0.38 -0.82 0.73 0.00 -1.33 0.00 0.00 177.39 176.36 2bs3 h ALA 213 N 0.00 1.30 -0.09 -1.18 0.00 -1.91 -2.56 119.26 114.82 2bs3 h ALA 213 Ca -0.13 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2bs3 h ALA 213 Cb 0.90 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2bs3 h ALA 213 CO 0.19 0.45 0.06 0.00 0.00 0.00 0.00 179.25 179.95 2bs3 h HIS 215 N 0.09 0.96 0.00 0.00 6.17 -1.85 -1.91 115.15 118.60 2bs3 h HIS 215 Ca 0.03 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.13 2bs3 h HIS 215 Cb 0.03 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 29.64 2bs3 h HIS 215 CO -0.06 0.62 0.00 -0.25 0.71 0.00 0.00 177.93 178.95 2bs3 n ASP 216 N -4.54 0.51 -0.00 3.26 8.00 -0.99 -3.68 116.55 119.10 2bs3 n ASP 216 Ca 0.07 0.58 0.03 0.00 0.71 0.00 0.00 54.79 56.18 2bs3 n ASP 216 Cb 0.03 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 40.39 2bs3 n ASP 216 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2bs3 n VAL 217 N -2.01 0.00 -1.53 2.53 0.24 -0.79 -5.00 118.33 111.78 2bs3 n VAL 217 Ca 0.05 -0.30 -0.49 0.00 -2.04 0.00 0.00 64.34 61.56 2bs3 n VAL 217 Cb 0.32 0.83 -0.06 0.00 -1.47 0.00 0.00 33.84 33.46 2bs3 n VAL 217 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bs3 h PRO 219 N 12.28 0.00 -0.13 0.00 0.13 -1.93 -0.85 132.00 141.50 2bs3 h PRO 219 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2bs3 h PRO 219 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2bs3 h PRO 219 CO 0.99 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.39 2bs3 n LYS 220 N -2.36 2.10 -3.85 0.86 4.76 -1.26 -4.99 118.16 113.42 2bs3 n LYS 220 Ca -0.01 -1.90 -0.28 0.00 -2.87 0.00 0.00 58.31 53.25 2bs3 n LYS 220 Cb 0.08 -1.43 0.03 0.00 -1.84 0.00 0.00 35.03 31.87 2bs3 n LYS 220 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2bs3 n ASN 221 N 1.25 -3.73 -4.77 4.39 3.02 -0.33 -4.95 115.26 110.14 2bs3 n ASN 221 Ca 0.14 -0.79 -0.35 0.00 -0.03 0.00 0.00 54.58 53.55 2bs3 n ASN 221 Cb 0.54 -3.93 0.01 0.00 -0.61 0.00 0.00 39.78 35.80 2bs3 n ASN 221 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bs3 s LEU 222 N -7.11 3.71 -1.57 3.41 1.02 -1.26 -4.88 118.68 111.99 2bs3 s LEU 222 Ca 0.47 2.24 -0.10 0.00 0.02 0.00 0.00 54.13 56.76 2bs3 s LEU 222 Cb -0.23 -4.59 -0.08 0.00 0.02 0.00 0.00 46.19 41.31 2bs3 s LEU 222 CO 0.83 -1.35 2.87 -0.81 0.02 0.00 0.00 176.35 177.91 2bs3 n PRO 223 N -1.42 3.56 -0.14 1.29 -0.04 -1.26 -4.68 135.00 132.30 2bs3 n PRO 223 Ca 0.12 -2.18 -0.08 0.00 -0.04 0.00 0.00 63.50 61.33 2bs3 n PRO 223 Cb 0.51 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2bs3 n PRO 223 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2bs3 h LEU 224 N 7.27 0.52 0.04 1.53 3.38 -1.92 -2.07 115.31 124.05 2bs3 h LEU 224 Ca 0.84 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.78 2bs3 h LEU 224 Cb 0.29 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2bs3 h LEU 224 CO 1.78 0.42 -0.39 -0.61 0.09 0.00 0.00 178.44 179.72 2bs3 h GLN 225 N 0.57 -0.56 -0.00 1.13 -0.00 -1.95 0.21 115.11 114.51 2bs3 h GLN 225 Ca 0.15 0.04 -0.13 0.00 -0.00 0.00 0.00 58.65 58.71 2bs3 h GLN 225 Cb -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.58 2bs3 h GLN 225 CO -0.03 -0.37 -0.62 0.66 0.00 0.00 0.00 178.83 178.47 2bs3 h SER 226 N -0.58 0.01 0.23 -0.69 4.64 -1.96 -2.81 113.55 112.39 2bs3 h SER 226 Ca 0.04 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.15 2bs3 h SER 226 Cb 0.64 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2bs3 h SER 226 CO -0.28 0.63 -0.82 0.50 -0.87 0.00 0.00 176.83 175.99 2bs3 h LYS 227 N 0.01 0.46 -0.31 4.77 1.63 -1.14 -1.16 116.57 120.83 2bs3 h LYS 227 Ca -0.01 -0.42 -0.13 0.00 -0.85 0.00 0.00 60.65 59.24 2bs3 h LYS 227 Cb 1.10 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2bs3 h LYS 227 CO 0.08 1.06 -0.31 0.82 -3.45 0.00 0.00 179.45 177.66 2bs3 h ILE 228 N 0.30 1.29 -0.81 2.00 2.04 -0.97 -1.67 117.51 119.69 2bs3 h ILE 228 Ca -0.05 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.31 2bs3 h ILE 228 Cb 1.43 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 39.00 2bs3 h ILE 228 CO 0.15 0.48 0.44 0.00 0.00 0.00 0.00 178.15 179.21 2bs3 h ALA 229 N 0.72 1.04 -0.29 1.87 0.00 -1.49 0.54 119.26 121.66 2bs3 h ALA 229 Ca 0.05 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2bs3 h ALA 229 Cb 0.89 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2bs3 h ALA 229 CO 0.08 0.56 0.09 -0.92 0.00 0.00 0.00 179.25 179.06 2bs3 h TYR 230 N 1.13 0.16 -0.63 0.00 3.20 -1.03 -0.43 116.97 119.37 2bs3 h TYR 230 Ca 0.29 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.12 2bs3 h TYR 230 Cb 0.04 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2bs3 h TYR 230 CO 0.00 0.07 0.19 1.25 -1.64 0.00 0.00 178.16 178.03 2bs3 h LEU 231 N 0.22 0.93 -0.69 2.82 5.85 -0.76 -2.53 115.31 121.14 2bs3 h LEU 231 Ca 0.13 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2bs3 h LEU 231 Cb 0.11 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2bs3 h LEU 231 CO -0.14 0.90 0.34 -0.09 -0.34 0.00 0.00 178.44 179.11 2bs3 h ARG 232 N 0.91 0.99 -0.77 1.25 2.43 -0.37 -0.26 114.38 118.56 2bs3 h ARG 232 Ca 0.20 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2bs3 h ARG 232 Cb 0.31 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2bs3 h ARG 232 CO -0.00 0.77 0.39 0.00 -1.51 0.00 0.00 179.97 179.62 2bs3 h ARG 233 N 0.96 1.09 -0.23 0.20 3.08 -0.94 -1.62 114.38 116.93 2bs3 h ARG 233 Ca 0.24 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 59.96 2bs3 h ARG 233 Cb 0.10 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2bs3 h ARG 233 CO -0.03 0.83 -0.60 0.87 -1.07 0.00 0.00 179.97 179.97 2bs3 h LYS 234 N 1.08 0.75 -0.00 0.04 1.57 -1.08 -3.14 116.57 115.79 2bs3 h LYS 234 Ca 0.27 -0.51 -0.14 0.00 -1.87 0.00 0.00 60.65 58.40 2bs3 h LYS 234 Cb 0.08 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2bs3 h LYS 234 CO -0.04 1.13 -0.68 0.52 -0.57 0.00 0.00 179.45 179.82 2bs3 h MET 235 N 0.56 0.00 0.00 3.15 2.86 -0.93 -2.97 114.93 117.61 2bs3 h MET 235 Ca -0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2bs3 h MET 235 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2bs3 h MET 235 CO 0.13 0.68 0.00 -0.24 1.06 0.00 0.00 176.91 178.53 2bs3 h VAL 236 N 0.00 0.00 -0.43 -2.22 3.04 -1.33 -3.05 116.25 112.26 2bs3 h VAL 236 Ca -0.01 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2bs3 h VAL 236 Cb 1.20 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2bs3 h VAL 236 CO 0.09 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.11 2bs3 n SER 237 N -2.36 3.50 -4.69 3.17 3.41 -1.12 -4.96 113.62 110.57 2bs3 n SER 237 Ca 0.04 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.25 2bs3 n SER 237 Cb 0.36 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 2bs3 n SER 237 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bs3 s VAL 238 N -1.37 3.62 0.00 -3.33 1.01 -1.15 -5.10 120.40 114.08 2bs3 s VAL 238 Ca 0.39 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.41 2bs3 s VAL 238 Cb 0.22 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2bs3 s VAL 238 CO 0.31 0.01 0.00 0.59 0.00 0.00 0.00 175.10 176.01