#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bh6 s VAL 18 N 0.00 5.38 -0.42 6.31 1.01 -0.65 -4.99 120.40 127.05 3bh6 s VAL 18 Ca 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 3bh6 s VAL 18 Cb 0.00 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.89 3bh6 s VAL 18 CO 0.00 0.48 0.31 -0.60 0.00 0.00 0.00 175.10 175.28 3bh6 s ARG 19 N -0.02 2.95 -0.16 2.72 3.00 -1.26 -0.66 118.95 125.52 3bh6 s ARG 19 Ca 0.13 -1.09 -0.05 0.00 -1.00 0.00 0.00 55.73 53.73 3bh6 s ARG 19 Cb -0.12 -3.98 -0.03 0.00 0.00 0.00 0.00 34.95 30.81 3bh6 s ARG 19 CO 0.02 -0.79 -0.01 0.42 0.00 0.00 0.00 175.30 174.94 3bh6 s ILE 20 N 1.66 4.18 -0.22 4.11 1.01 0.63 -0.94 121.20 131.64 3bh6 s ILE 20 Ca 0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.36 3bh6 s ILE 20 Cb -0.20 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3bh6 s ILE 20 CO 0.09 0.49 0.09 -0.22 0.00 0.00 0.00 174.94 175.39 3bh6 s LEU 21 N 0.30 3.75 -0.38 2.97 2.96 0.21 0.37 118.68 128.87 3bh6 s LEU 21 Ca -0.01 -0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 3bh6 s LEU 21 Cb -0.13 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.63 3bh6 s LEU 21 CO 0.02 0.07 0.17 -0.22 -1.32 0.00 0.00 176.35 175.07 3bh6 s LEU 22 N 1.02 4.72 0.00 -0.68 2.96 0.81 -0.26 118.68 127.26 3bh6 s LEU 22 Ca 0.05 -1.35 0.02 0.00 -0.22 0.00 0.00 54.13 52.63 3bh6 s LEU 22 Cb -0.14 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 3bh6 s LEU 22 CO 0.03 -0.43 0.08 0.18 -1.32 0.00 0.00 176.35 174.90 3bh6 n LEU 23 N 4.83 0.00 0.00 -0.68 4.77 -0.56 -2.69 117.00 122.67 3bh6 n LEU 23 Ca -0.11 -3.26 0.00 0.00 -0.03 0.00 0.00 56.01 52.61 3bh6 n LEU 23 Cb 0.44 0.74 0.00 0.00 -2.33 0.00 0.00 43.42 42.27 3bh6 n LEU 23 CO 0.34 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 3bh6 n GLY 24 N -1.08 3.57 3.74 -0.72 0.00 -1.26 -1.10 105.19 108.34 3bh6 n GLY 24 Ca -0.13 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 3bh6 n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bh6 s LEU 25 N 0.00 3.60 0.22 0.99 1.43 -1.26 -4.50 118.68 119.17 3bh6 s LEU 25 Ca 0.00 2.46 -0.29 0.00 -1.03 0.00 0.00 54.13 55.28 3bh6 s LEU 25 Cb 0.00 -4.60 -0.16 0.00 0.03 0.00 0.00 46.19 41.46 3bh6 s LEU 25 CO 0.00 -1.79 0.75 -0.90 0.23 0.00 0.00 176.35 174.64 3bh6 n ASP 26 N -1.79 -0.17 0.00 2.29 5.75 -0.36 -1.94 116.55 120.34 3bh6 n ASP 26 Ca 0.14 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 56.07 3bh6 n ASP 26 Cb 0.49 -1.08 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 3bh6 n ASP 26 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3bh6 n ASN 27 N 1.71 -0.91 0.17 -1.12 5.15 -1.26 -4.87 115.26 114.13 3bh6 n ASN 27 Ca 0.15 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.18 3bh6 n ASN 27 Cb 0.27 -0.29 0.20 0.00 -0.53 0.00 0.00 39.78 39.43 3bh6 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bh6 h ALA 28 N 0.00 0.83 0.00 5.20 0.00 -1.73 -3.46 119.26 120.11 3bh6 h ALA 28 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3bh6 h ALA 28 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3bh6 h ALA 28 CO 0.00 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.15 3bh6 n GLY 29 N 0.77 1.83 0.22 0.00 0.00 -1.26 -4.23 105.19 102.52 3bh6 n GLY 29 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3bh6 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bh6 h LYS 30 N 0.00 -0.42 -0.59 1.61 1.57 -1.91 -1.26 116.57 115.57 3bh6 h LYS 30 Ca 0.00 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 3bh6 h LYS 30 Cb 0.00 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3bh6 h LYS 30 CO 0.00 -0.28 0.02 1.15 -0.57 0.00 0.00 179.45 179.77 3bh6 h THR 31 N -0.44 1.26 -0.97 -0.16 2.02 -1.96 -0.06 112.91 112.60 3bh6 h THR 31 Ca -0.02 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.07 3bh6 h THR 31 Cb 0.37 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 3bh6 h THR 31 CO 0.01 0.40 0.64 0.74 0.37 0.00 0.00 175.52 177.68 3bh6 h THR 32 N 0.93 1.25 -0.34 3.16 2.02 -1.91 0.04 112.91 118.07 3bh6 h THR 32 Ca 0.17 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3bh6 h THR 32 Cb 0.51 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3bh6 h THR 32 CO 0.02 0.24 0.12 0.25 0.37 0.00 0.00 175.52 176.53 3bh6 h LEU 33 N 1.32 0.47 -0.94 2.58 6.46 -0.90 -1.94 115.31 122.37 3bh6 h LEU 33 Ca 0.35 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 3bh6 h LEU 33 Cb -0.14 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 39.61 3bh6 h LEU 33 CO -0.08 0.53 0.61 0.25 -0.62 0.00 0.00 178.44 179.13 3bh6 h LEU 34 N 0.39 1.01 -0.12 2.25 5.85 -0.16 -1.76 115.31 122.77 3bh6 h LEU 34 Ca 0.11 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.63 3bh6 h LEU 34 Cb 0.21 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3bh6 h LEU 34 CO -0.01 0.69 -0.91 0.11 -0.34 0.00 0.00 178.44 177.99 3bh6 h LYS 35 N 1.17 0.00 -0.84 1.25 1.57 -0.97 -2.68 116.57 116.07 3bh6 h LYS 35 Ca 0.38 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.13 3bh6 h LYS 35 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3bh6 h LYS 35 CO -0.13 0.91 0.42 1.96 -0.57 0.00 0.00 179.45 182.03 3bh6 h GLN 36 N 0.00 1.21 -0.70 3.15 1.08 -1.07 0.20 115.11 118.98 3bh6 h GLN 36 Ca -0.01 -0.17 -0.06 0.00 -1.45 0.00 0.00 58.65 56.96 3bh6 h GLN 36 Cb 1.64 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 28.82 3bh6 h GLN 36 CO 0.12 0.92 0.20 -0.07 -0.95 0.00 0.00 178.83 179.05 3bh6 h LEU 37 N 1.19 1.03 -0.38 1.46 3.38 -1.18 -0.84 115.31 119.97 3bh6 h LEU 37 Ca 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3bh6 h LEU 37 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3bh6 h LEU 37 CO -0.04 0.97 0.00 0.00 0.09 0.00 0.00 178.44 179.46 3bh6 n ALA 38 N -2.45 2.58 -3.57 1.53 0.00 -1.02 -4.93 120.51 112.64 3bh6 n ALA 38 Ca 0.05 -0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.07 3bh6 n ALA 38 Cb 0.24 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3bh6 n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3bh6 n SER 39 N -0.41 -5.75 -3.99 0.00 7.64 -0.32 -5.03 113.62 105.77 3bh6 n SER 39 Ca 0.15 -0.70 -0.17 0.00 1.01 0.00 0.00 58.87 59.16 3bh6 n SER 39 Cb 0.16 -2.80 -0.09 0.00 -1.01 0.00 0.00 64.21 60.46 3bh6 n SER 39 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3bh6 s GLU 40 N -4.38 1.52 0.26 1.43 2.02 0.54 -5.00 118.70 115.10 3bh6 s GLU 40 Ca 0.01 -1.86 -0.30 0.00 0.02 0.00 0.00 54.97 52.84 3bh6 s GLU 40 Cb -0.00 0.01 -0.11 0.00 0.10 0.00 0.00 34.13 34.12 3bh6 s GLU 40 CO 0.85 -0.45 1.57 0.34 0.02 0.00 0.00 175.26 177.59 3bh6 s ASP 41 N -3.33 6.46 0.00 -0.19 3.68 -1.26 -4.56 116.67 117.47 3bh6 s ASP 41 Ca 0.37 2.84 0.10 0.00 2.13 0.00 0.00 52.55 57.99 3bh6 s ASP 41 Cb 0.05 -2.62 0.05 0.00 -1.45 0.00 0.00 42.92 38.94 3bh6 s ASP 41 CO 0.17 -0.86 0.73 2.30 0.13 0.00 0.00 175.17 177.64 3bh6 n ILE 42 N 2.56 0.00 1.54 4.11 -5.35 -1.26 -4.69 119.36 116.28 3bh6 n ILE 42 Ca 0.09 -0.46 0.14 0.00 -0.27 0.00 0.00 62.75 62.25 3bh6 n ILE 42 Cb 0.38 1.17 0.61 0.00 -1.74 0.00 0.00 39.64 40.05 3bh6 n ILE 42 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3bh6 n SER 43 N 0.22 0.91 -0.18 7.28 3.41 -1.26 -3.75 113.62 120.25 3bh6 n SER 43 Ca 0.05 -1.11 0.08 0.00 -0.26 0.00 0.00 58.87 57.63 3bh6 n SER 43 Cb 0.22 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.30 3bh6 n SER 43 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bh6 n HIS 44 N -0.42 0.00 -2.24 7.33 8.25 -1.26 -5.02 115.22 121.85 3bh6 n HIS 44 Ca 0.18 -0.91 -0.43 0.00 -0.26 0.00 0.00 57.72 56.30 3bh6 n HIS 44 Cb 0.29 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 3bh6 n HIS 44 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3bh6 s ILE 45 N -2.52 3.93 0.20 1.59 1.01 -1.25 -5.02 121.20 119.14 3bh6 s ILE 45 Ca 0.29 1.17 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 3bh6 s ILE 45 Cb 0.25 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 3bh6 s ILE 45 CO 0.02 -0.08 0.40 0.28 0.00 0.00 0.00 174.94 175.55 3bh6 s THR 46 N 3.41 5.19 0.47 2.92 -1.32 -1.26 -5.07 115.64 119.98 3bh6 s THR 46 Ca 0.63 -0.28 -0.23 0.00 -1.21 0.00 0.00 61.69 60.60 3bh6 s THR 46 Cb -0.28 -3.72 -0.09 0.00 -1.51 0.00 0.00 72.50 66.91 3bh6 s THR 46 CO 0.22 -0.15 1.10 -2.65 -2.21 0.00 0.00 174.62 170.93 3bh6 n PRO 47 N -0.57 1.45 -3.02 7.08 -0.02 -1.26 -4.91 135.00 133.76 3bh6 n PRO 47 Ca -0.04 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 3bh6 n PRO 47 Cb 0.53 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 3bh6 n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3bh6 s THR 48 N -1.31 4.92 -0.16 3.45 2.01 -1.26 -5.04 115.64 118.25 3bh6 s THR 48 Ca 0.66 1.30 -0.08 0.00 0.31 0.00 0.00 61.69 63.87 3bh6 s THR 48 Cb -0.50 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 3bh6 s THR 48 CO 0.54 -0.03 0.13 -1.10 -0.69 0.00 0.00 174.62 173.47 3bh6 s GLN 49 N 2.66 3.78 7.89 4.92 -0.21 -1.26 -4.51 119.66 132.94 3bh6 s GLN 49 Ca 0.30 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.49 3bh6 s GLN 49 Cb -0.15 -3.28 0.00 0.00 1.00 0.00 0.00 33.01 30.58 3bh6 s GLN 49 CO 0.08 0.54 0.00 0.41 -2.12 0.00 0.00 175.29 174.20 3bh6 n GLY 50 N 2.74 2.24 3.62 3.09 0.00 -1.26 -4.94 105.19 110.68 3bh6 n GLY 50 Ca -0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 3bh6 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bh6 s PHE 51 N 0.00 -0.14 0.02 1.61 -0.12 -1.26 -2.10 117.98 115.99 3bh6 s PHE 51 Ca 0.00 -0.00 0.04 0.00 -0.05 0.00 0.00 56.93 56.92 3bh6 s PHE 51 Cb 0.00 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 3bh6 s PHE 51 CO 0.00 -0.43 -0.12 -0.80 -0.05 0.00 0.00 175.22 173.81 3bh6 s ASN 52 N -2.67 1.45 -0.05 1.98 0.01 0.93 -4.98 114.94 111.61 3bh6 s ASN 52 Ca 0.11 -0.34 0.04 0.00 -0.71 0.00 0.00 52.86 51.96 3bh6 s ASN 52 Cb 0.01 -0.12 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 3bh6 s ASN 52 CO -0.04 0.07 -0.18 0.27 -1.51 0.00 0.00 177.10 175.71 3bh6 s ILE 53 N -0.60 2.73 -0.14 0.60 -4.36 -1.26 0.03 121.20 118.20 3bh6 s ILE 53 Ca 0.02 -0.84 -0.10 0.00 -0.26 0.00 0.00 60.65 59.47 3bh6 s ILE 53 Cb -0.06 -2.05 0.05 0.00 1.25 0.00 0.00 42.46 41.65 3bh6 s ILE 53 CO 0.00 0.58 0.36 -0.54 0.24 0.00 0.00 174.94 175.59 3bh6 s LYS 54 N -0.53 0.37 0.04 0.37 1.02 -0.93 -5.01 119.74 115.07 3bh6 s LYS 54 Ca 0.07 0.62 -0.20 0.00 0.02 0.00 0.00 55.97 56.48 3bh6 s LYS 54 Cb -0.11 0.06 -0.06 0.00 -0.52 0.00 0.00 37.83 37.20 3bh6 s LYS 54 CO 0.01 -0.11 0.59 -1.12 -0.92 0.00 0.00 175.35 173.80 3bh6 s SER 55 N 0.85 7.03 -0.04 2.83 0.01 -1.25 -0.83 113.70 122.30 3bh6 s SER 55 Ca -0.05 1.22 -0.01 0.00 1.31 0.00 0.00 55.95 58.42 3bh6 s SER 55 Cb -0.06 -2.37 0.03 0.00 0.21 0.00 0.00 66.02 63.84 3bh6 s SER 55 CO -0.06 0.19 0.08 -0.69 0.41 0.00 0.00 173.24 173.17 3bh6 s VAL 56 N -0.67 -0.06 -0.13 3.43 1.01 0.22 -4.93 120.40 119.27 3bh6 s VAL 56 Ca 0.30 0.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.27 3bh6 s VAL 56 Cb -0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3bh6 s VAL 56 CO 0.18 0.08 0.63 -1.10 0.00 0.00 0.00 175.10 174.90 3bh6 s GLN 57 N 1.14 4.33 -0.04 2.72 1.11 -1.26 -0.15 119.66 127.51 3bh6 s GLN 57 Ca -0.09 0.70 -0.01 0.00 0.01 0.00 0.00 55.36 55.97 3bh6 s GLN 57 Cb -0.12 -3.49 0.03 0.00 -1.01 0.00 0.00 33.01 28.42 3bh6 s GLN 57 CO -0.04 -0.03 0.08 0.45 0.01 0.00 0.00 175.29 175.76 3bh6 s SER 58 N 0.90 0.29 0.00 5.90 0.15 -0.48 -4.90 113.70 115.57 3bh6 s SER 58 Ca 0.32 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.12 3bh6 s SER 58 Cb -0.16 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 3bh6 s SER 58 CO 0.13 -0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.41 3bh6 n GLN 59 N 4.52 -0.66 0.00 5.44 6.02 -1.26 -1.27 117.38 130.17 3bh6 n GLN 59 Ca -0.21 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3bh6 n GLN 59 Cb 0.50 -3.80 0.00 0.00 1.02 0.00 0.00 30.24 27.96 3bh6 n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bh6 n GLY 60 N -1.37 0.93 3.57 1.08 0.00 -1.26 -5.11 105.19 103.03 3bh6 n GLY 60 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3bh6 n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bh6 s PHE 61 N -2.00 2.88 -0.56 1.61 0.40 -0.40 -5.09 117.98 114.83 3bh6 s PHE 61 Ca 0.00 -0.03 -0.21 0.00 -0.60 0.00 0.00 56.93 56.10 3bh6 s PHE 61 Cb 0.00 -1.66 0.06 0.00 0.51 0.00 0.00 43.02 41.93 3bh6 s PHE 61 CO 0.00 0.33 0.78 -1.59 0.70 0.00 0.00 175.22 175.43 3bh6 s LYS 62 N -1.03 3.15 -0.31 0.44 0.00 -1.26 -1.38 119.74 119.36 3bh6 s LYS 62 Ca 0.14 -0.81 -0.14 0.00 0.00 0.00 0.00 55.97 55.16 3bh6 s LYS 62 Cb -0.11 -4.14 -0.03 0.00 0.00 0.00 0.00 37.83 33.55 3bh6 s LYS 62 CO 0.04 -1.45 0.32 -0.51 0.00 0.00 0.00 175.35 173.74 3bh6 s LEU 63 N 3.21 4.23 -0.58 2.77 1.43 0.78 -1.63 118.68 128.90 3bh6 s LEU 63 Ca 0.19 -0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 53.05 3bh6 s LEU 63 Cb -0.18 -2.30 0.08 0.00 0.03 0.00 0.00 46.19 43.83 3bh6 s LEU 63 CO 0.12 -0.22 0.73 0.20 0.23 0.00 0.00 176.35 177.41 3bh6 s ASN 64 N 1.71 6.20 -0.14 2.29 0.01 0.16 -0.61 114.94 124.57 3bh6 s ASN 64 Ca 0.11 -1.20 -0.19 0.00 -0.71 0.00 0.00 52.86 50.87 3bh6 s ASN 64 Cb -0.16 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 3bh6 s ASN 64 CO 0.11 -1.11 0.52 -0.69 -1.51 0.00 0.00 177.10 174.42 3bh6 s VAL 65 N 2.90 5.15 -0.33 1.60 1.01 -0.01 -0.27 120.40 130.45 3bh6 s VAL 65 Ca 0.14 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 3bh6 s VAL 65 Cb -0.21 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 3bh6 s VAL 65 CO 0.09 0.27 0.19 0.26 0.00 0.00 0.00 175.10 175.91 3bh6 s TRP 66 N 0.95 3.20 -0.42 5.22 0.52 0.16 -2.18 118.94 126.39 3bh6 s TRP 66 Ca 0.27 -0.54 -0.14 0.00 0.02 0.00 0.00 56.10 55.70 3bh6 s TRP 66 Cb -0.15 -2.41 0.04 0.00 -1.15 0.00 0.00 33.47 29.79 3bh6 s TRP 66 CO 0.11 -0.47 0.31 0.34 0.02 0.00 0.00 176.95 177.27 3bh6 s ASP 67 N 1.64 6.05 -0.06 2.95 2.15 0.10 -0.13 116.67 129.37 3bh6 s ASP 67 Ca 0.05 -1.06 -0.01 0.00 0.43 0.00 0.00 52.55 51.95 3bh6 s ASP 67 Cb -0.18 -2.14 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 3bh6 s ASP 67 CO 0.08 -0.50 0.02 -0.63 -0.17 0.00 0.00 175.17 173.96 3bh6 s ILE 68 N 1.64 4.38 0.29 4.11 1.09 -1.10 -0.05 121.20 131.56 3bh6 s ILE 68 Ca 0.04 -0.31 -0.29 0.00 -1.10 0.00 0.00 60.65 58.99 3bh6 s ILE 68 Cb -0.21 -2.88 -0.14 0.00 -1.06 0.00 0.00 42.46 38.17 3bh6 s ILE 68 CO 0.08 0.53 1.15 0.61 -0.10 0.00 0.00 174.94 177.21 3bh6 n GLY 69 N 1.88 0.12 0.00 6.18 0.00 -0.89 -4.85 105.19 107.62 3bh6 n GLY 69 Ca -0.17 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3bh6 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bh6 n GLY 70 N 1.28 2.21 3.81 -0.02 0.00 -1.26 -4.68 105.19 106.53 3bh6 n GLY 70 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3bh6 n GLY 70 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3bh6 s LEU 71 N -0.85 3.48 0.25 0.99 0.05 -1.26 -1.22 118.68 120.12 3bh6 s LEU 71 Ca 0.00 1.77 -0.05 0.00 0.05 0.00 0.00 54.13 55.91 3bh6 s LEU 71 Cb 0.00 -4.53 0.49 0.00 -2.05 0.00 0.00 46.19 40.10 3bh6 s LEU 71 CO 0.00 -1.13 1.65 -0.09 -0.55 0.00 0.00 176.35 176.23 3bh6 h ARG 72 N 0.39 0.16 0.00 1.48 2.43 -1.98 -0.80 114.38 116.05 3bh6 h ARG 72 Ca -0.47 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3bh6 h ARG 72 Cb 1.22 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3bh6 h ARG 72 CO 0.58 0.11 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.92 3bh6 h LYS 73 N 0.17 0.00 -0.01 0.20 1.63 -2.01 -3.11 116.57 113.44 3bh6 h LYS 73 Ca 0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 3bh6 h LYS 73 Cb 0.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 3bh6 h LYS 73 CO -0.61 0.01 -0.24 0.44 -3.45 0.00 0.00 179.45 175.59 3bh6 n ILE 74 N -4.41 0.00 -0.29 2.00 -5.35 -0.35 -4.53 119.36 106.42 3bh6 n ILE 74 Ca -0.03 -0.38 0.28 0.00 -0.27 0.00 0.00 62.75 62.35 3bh6 n ILE 74 Cb 0.10 1.15 0.64 0.00 -1.74 0.00 0.00 39.64 39.79 3bh6 n ILE 74 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3bh6 h ARG 75 N 1.43 0.17 0.00 6.28 3.08 -1.37 1.00 114.38 124.97 3bh6 h ARG 75 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3bh6 h ARG 75 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3bh6 h ARG 75 CO 0.00 0.11 0.01 -2.30 -1.07 0.00 0.00 179.97 176.72 3bh6 n PRO 76 N -4.39 0.00 0.06 0.04 -0.02 -1.26 -1.17 135.00 128.25 3bh6 n PRO 76 Ca 0.24 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 3bh6 n PRO 76 Cb 1.02 -1.53 0.17 0.00 -0.02 0.00 0.00 33.50 33.15 3bh6 n PRO 76 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bh6 n TYR 77 N -1.51 0.51 -0.12 6.00 0.53 0.35 -4.26 117.16 118.66 3bh6 n TYR 77 Ca -0.00 0.15 -0.06 0.00 -1.02 0.00 0.00 57.90 56.97 3bh6 n TYR 77 Cb 0.01 -0.63 0.00 0.00 -1.03 0.00 0.00 39.34 37.70 3bh6 n TYR 77 CO 0.00 0.00 0.00 -1.49 -1.02 0.00 0.00 176.86 174.35 3bh6 h TRP 78 N 0.00 -0.63 -0.99 -0.72 4.06 -1.28 -1.96 115.95 114.42 3bh6 h TRP 78 Ca 0.00 0.05 0.29 0.00 2.06 0.00 0.00 58.89 61.29 3bh6 h TRP 78 Cb 0.73 0.34 -0.18 0.00 -1.00 0.00 0.00 29.16 29.05 3bh6 h TRP 78 CO 0.00 -0.32 0.09 0.54 -3.56 0.00 0.00 178.44 175.19 3bh6 n ARG 79 N -5.40 -0.08 0.00 0.49 1.74 -1.26 -0.43 116.66 111.72 3bh6 n ARG 79 Ca 0.02 1.47 0.04 0.00 -0.77 0.00 0.00 57.85 58.61 3bh6 n ARG 79 Cb 0.31 -2.37 0.19 0.00 -1.02 0.00 0.00 32.46 29.57 3bh6 n ARG 79 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3bh6 n SER 80 N -5.45 0.00 -0.00 0.55 3.41 -0.74 -1.79 113.62 109.60 3bh6 n SER 80 Ca 0.25 0.32 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 3bh6 n SER 80 Cb 0.84 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 64.31 3bh6 n SER 80 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3bh6 n TYR 81 N -1.38 0.00 0.23 7.33 4.02 0.42 -4.64 117.16 123.15 3bh6 n TYR 81 Ca 0.03 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.10 3bh6 n TYR 81 Cb 0.08 -0.08 0.87 0.00 -0.02 0.00 0.00 39.34 40.19 3bh6 n TYR 81 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 3bh6 h PHE 82 N 0.00 0.00 -2.16 -0.72 0.04 -1.38 -3.44 116.94 109.28 3bh6 h PHE 82 Ca 0.00 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.19 3bh6 h PHE 82 Cb 0.45 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.61 3bh6 h PHE 82 CO 0.00 0.00 1.18 -1.91 -0.60 0.00 0.00 178.31 176.98 3bh6 n GLU 83 N -3.62 2.48 -1.73 1.51 4.07 -1.26 -2.13 120.64 119.96 3bh6 n GLU 83 Ca 0.01 0.90 -0.15 0.00 -0.06 0.00 0.00 57.16 57.86 3bh6 n GLU 83 Cb 0.31 -2.83 -0.05 0.00 -0.06 0.00 0.00 31.44 28.82 3bh6 n GLU 83 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3bh6 n ASN 84 N 7.24 -4.74 -4.69 4.31 3.02 -1.26 -4.97 115.26 114.18 3bh6 n ASN 84 Ca 0.22 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.59 3bh6 n ASN 84 Cb 0.35 -3.68 -0.03 0.00 -0.61 0.00 0.00 39.78 35.81 3bh6 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3bh6 s THR 85 N -2.63 3.94 -0.14 3.41 2.01 -0.90 -4.72 115.64 116.60 3bh6 s THR 85 Ca 0.00 1.30 -0.22 0.00 0.31 0.00 0.00 61.69 63.08 3bh6 s THR 85 Cb 0.00 -3.84 -0.25 0.00 0.01 0.00 0.00 72.50 68.43 3bh6 s THR 85 CO 0.00 -0.00 0.55 0.44 -0.69 0.00 0.00 174.62 174.92 3bh6 h ASP 86 N 7.66 0.14 -3.80 3.53 3.32 -1.39 -3.48 116.42 122.41 3bh6 h ASP 86 Ca -0.36 -0.80 -0.49 0.00 0.02 0.00 0.00 57.03 55.40 3bh6 h ASP 86 Cb 1.17 -0.05 -0.31 0.00 0.22 0.00 0.00 39.33 40.36 3bh6 h ASP 86 CO 0.89 1.35 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.33 3bh6 s ILE 87 N -2.35 1.06 -0.31 0.35 1.09 -0.53 -4.02 121.20 116.49 3bh6 s ILE 87 Ca -0.22 -0.50 -0.13 0.00 -1.10 0.00 0.00 60.65 58.69 3bh6 s ILE 87 Cb 0.02 -0.94 -0.03 0.00 -1.06 0.00 0.00 42.46 40.45 3bh6 s ILE 87 CO 0.69 0.32 0.28 -0.22 -0.10 0.00 0.00 174.94 175.92 3bh6 s LEU 88 N 0.20 4.24 -0.22 2.97 2.96 -0.59 -0.62 118.68 127.62 3bh6 s LEU 88 Ca -0.05 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.68 3bh6 s LEU 88 Cb -0.11 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 3bh6 s LEU 88 CO 0.01 -0.19 0.11 -0.63 -1.32 0.00 0.00 176.35 174.33 3bh6 s ILE 89 N 1.88 4.99 -0.16 6.68 1.01 0.64 -0.59 121.20 135.65 3bh6 s ILE 89 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.80 3bh6 s ILE 89 Cb -0.16 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.02 3bh6 s ILE 89 CO 0.11 0.38 -0.18 -0.47 0.00 0.00 0.00 174.94 174.79 3bh6 s TYR 90 N 0.90 2.52 -0.14 3.97 6.14 0.32 -1.49 117.35 129.58 3bh6 s TYR 90 Ca 0.06 -1.46 -0.05 0.00 0.64 0.00 0.00 57.07 56.26 3bh6 s TYR 90 Cb -0.13 -1.78 -0.04 0.00 0.42 0.00 0.00 41.96 40.43 3bh6 s TYR 90 CO 0.03 -0.74 0.03 0.08 0.64 0.00 0.00 175.55 175.59 3bh6 s VAL 91 N 1.35 4.53 -0.04 3.14 1.01 -0.26 -0.75 120.40 129.38 3bh6 s VAL 91 Ca 0.04 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.93 3bh6 s VAL 91 Cb -0.13 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 3bh6 s VAL 91 CO -0.12 0.54 -0.20 -0.63 0.00 0.00 0.00 175.10 174.69 3bh6 s ILE 92 N -0.23 1.67 -0.72 2.22 1.01 -0.43 -4.01 121.20 120.72 3bh6 s ILE 92 Ca 0.07 -0.86 -0.26 0.00 0.00 0.00 0.00 60.65 59.59 3bh6 s ILE 92 Cb -0.12 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.93 3bh6 s ILE 92 CO 0.02 0.47 1.58 -0.62 0.00 0.00 0.00 174.94 176.39 3bh6 s ASP 93 N -0.12 5.74 0.54 3.58 -1.08 -1.26 -1.25 116.67 122.82 3bh6 s ASP 93 Ca -0.02 -0.21 0.25 0.00 -0.52 0.00 0.00 52.55 52.05 3bh6 s ASP 93 Cb -0.12 -2.55 1.53 0.00 -1.46 0.00 0.00 42.92 40.33 3bh6 s ASP 93 CO 0.02 -2.11 2.16 0.28 0.52 0.00 0.00 175.17 176.05 3bh6 h SER 94 N 12.16 0.00 -0.69 -0.34 0.02 -1.54 -2.54 113.55 120.62 3bh6 h SER 94 Ca -0.21 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.52 3bh6 h SER 94 Cb 1.09 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.50 3bh6 h SER 94 CO 1.26 0.05 0.29 0.00 -1.14 0.00 0.00 176.83 177.29 3bh6 n ALA 95 N -2.38 4.47 -3.24 3.77 0.00 -1.26 -2.13 120.51 119.73 3bh6 n ALA 95 Ca -0.03 -2.10 -0.24 0.00 0.00 0.00 0.00 53.44 51.07 3bh6 n ALA 95 Cb 0.14 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.27 3bh6 n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3bh6 n ASP 96 N -0.20 1.36 -0.13 0.00 -0.08 -0.96 -4.87 116.55 111.68 3bh6 n ASP 96 Ca 0.38 -2.96 0.19 0.00 -1.51 0.00 0.00 54.79 50.89 3bh6 n ASP 96 Cb 1.31 -0.64 0.59 0.00 2.34 0.00 0.00 41.12 44.71 3bh6 n ASP 96 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3bh6 h ARG 97 N 3.91 0.23 -0.40 -0.67 3.08 -1.81 -0.86 114.38 117.86 3bh6 h ARG 97 Ca 0.11 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.26 3bh6 h ARG 97 Cb 0.81 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 3bh6 h ARG 97 CO 0.58 0.15 0.35 -0.22 -1.07 0.00 0.00 179.97 179.77 3bh6 h LYS 98 N 0.24 0.00 -0.30 0.04 1.63 -1.96 -0.96 116.57 115.27 3bh6 h LYS 98 Ca 0.36 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 3bh6 h LYS 98 Cb 1.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 3bh6 h LYS 98 CO -0.08 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.46 3bh6 n ARG 99 N -4.02 2.17 -0.34 1.90 1.74 -0.33 -4.53 116.66 113.25 3bh6 n ARG 99 Ca 0.07 -1.92 0.15 0.00 -0.77 0.00 0.00 57.85 55.37 3bh6 n ARG 99 Cb 0.54 -1.33 0.34 0.00 -1.02 0.00 0.00 32.46 30.98 3bh6 n ARG 99 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3bh6 h PHE 100 N 2.80 0.95 -0.38 -1.55 0.04 -1.19 -0.41 116.94 117.20 3bh6 h PHE 100 Ca 0.00 0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.65 3bh6 h PHE 100 Cb 0.74 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3bh6 h PHE 100 CO 0.19 0.11 -0.36 1.49 -0.60 0.00 0.00 178.31 179.15 3bh6 h GLU 101 N 0.61 0.92 -0.40 1.51 4.81 -1.80 0.16 114.58 120.39 3bh6 h GLU 101 Ca 0.60 -0.48 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 3bh6 h GLU 101 Cb 1.05 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3bh6 h GLU 101 CO -0.45 1.13 -0.02 1.49 -0.73 0.00 0.00 179.01 180.44 3bh6 h GLU 102 N 0.74 0.73 -0.15 1.92 4.81 -1.52 -0.96 114.58 120.15 3bh6 h GLU 102 Ca 0.06 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 58.89 3bh6 h GLU 102 Cb 0.95 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3bh6 h GLU 102 CO 0.09 0.82 -0.59 0.00 -0.73 0.00 0.00 179.01 178.60 3bh6 h THR 103 N 0.55 1.34 -0.56 0.32 1.03 -1.15 -2.29 112.91 112.15 3bh6 h THR 103 Ca 0.11 -1.88 0.11 0.00 -0.01 0.00 0.00 66.41 64.74 3bh6 h THR 103 Cb 0.50 1.87 -0.10 0.00 -1.07 0.00 0.00 68.15 69.35 3bh6 h THR 103 CO 0.02 0.58 -0.08 1.23 -0.01 0.00 0.00 175.52 177.26 3bh6 h GLY 104 N 1.15 0.48 0.96 2.99 0.00 -0.45 -1.17 103.07 107.04 3bh6 h GLY 104 Ca -0.00 0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.33 3bh6 h GLY 104 CO 0.11 -0.20 -0.39 0.06 0.00 0.00 0.00 176.54 176.12 3bh6 h GLN 105 N 0.05 0.66 -0.58 4.80 3.07 -0.98 -2.58 115.11 119.55 3bh6 h GLN 105 Ca 0.28 -0.41 0.03 0.00 0.09 0.00 0.00 58.65 58.64 3bh6 h GLN 105 Cb 0.43 0.05 -0.04 0.00 0.08 0.00 0.00 27.48 28.00 3bh6 h GLN 105 CO -0.53 1.03 0.35 0.93 0.09 0.00 0.00 178.83 180.69 3bh6 h GLU 106 N 0.36 0.66 -0.35 0.06 4.39 -1.19 -2.01 114.58 116.49 3bh6 h GLU 106 Ca 0.01 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.68 3bh6 h GLU 106 Cb 0.99 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 3bh6 h GLU 106 CO 0.09 0.44 0.23 1.25 -1.16 0.00 0.00 179.01 179.86 3bh6 h LEU 107 N 0.68 0.39 -1.45 1.33 5.85 -1.22 -1.57 115.31 119.33 3bh6 h LEU 107 Ca 0.24 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3bh6 h LEU 107 Cb 0.04 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3bh6 h LEU 107 CO -0.11 0.28 0.07 0.74 -0.34 0.00 0.00 178.44 179.09 3bh6 h THR 108 N 0.47 1.15 -0.04 1.05 2.02 -1.19 -1.77 112.91 114.59 3bh6 h THR 108 Ca 0.13 -0.52 -0.18 0.00 0.77 0.00 0.00 66.41 66.62 3bh6 h THR 108 Cb -0.04 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3bh6 h THR 108 CO -0.04 0.18 -0.76 -0.33 0.37 0.00 0.00 175.52 174.95 3bh6 h GLU 109 N 0.43 0.26 -0.37 6.66 5.08 -1.13 -3.01 114.58 122.51 3bh6 h GLU 109 Ca 0.10 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3bh6 h GLU 109 Cb 0.17 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3bh6 h GLU 109 CO -0.00 0.90 0.17 -0.07 -1.00 0.00 0.00 179.01 179.00 3bh6 h LEU 110 N 0.17 0.49 -0.67 1.33 3.38 -0.47 -2.77 115.31 116.77 3bh6 h LEU 110 Ca -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3bh6 h LEU 110 Cb 1.34 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3bh6 h LEU 110 CO 0.12 0.49 0.00 -0.07 0.09 0.00 0.00 178.44 179.07 3bh6 h LEU 111 N 0.45 0.00 -0.13 1.67 3.38 -1.36 0.61 115.31 119.92 3bh6 h LEU 111 Ca 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3bh6 h LEU 111 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3bh6 h LEU 111 CO -0.01 0.00 -0.44 -0.33 0.09 0.00 0.00 178.44 177.75 3bh6 h GLU 112 N 0.00 0.00 -6.42 1.13 5.08 -1.37 -3.47 114.58 109.53 3bh6 h GLU 112 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3bh6 h GLU 112 Cb 0.49 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.78 3bh6 h GLU 112 CO 0.00 0.44 1.03 0.39 -1.00 0.00 0.00 179.01 179.87 3bh6 n GLU 113 N -3.24 2.43 -0.22 2.33 -0.58 0.20 -4.89 120.64 116.67 3bh6 n GLU 113 Ca 0.02 0.89 -0.07 0.00 -0.42 0.00 0.00 57.16 57.57 3bh6 n GLU 113 Cb 0.69 -2.73 0.03 0.00 -0.57 0.00 0.00 31.44 28.85 3bh6 n GLU 113 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3bh6 h GLU 114 N 8.18 0.92 0.00 3.49 4.81 -1.89 -2.40 114.58 127.68 3bh6 h GLU 114 Ca -0.47 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 3bh6 h GLU 114 Cb 1.25 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3bh6 h GLU 114 CO 0.93 0.79 0.00 0.87 -0.73 0.00 0.00 179.01 180.87 3bh6 h LYS 115 N 0.85 0.00 -0.38 1.92 1.57 -1.95 -1.39 116.57 117.19 3bh6 h LYS 115 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3bh6 h LYS 115 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3bh6 h LYS 115 CO -0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.15 3bh6 n LEU 116 N -2.60 3.33 -4.67 2.94 4.77 -0.92 -4.80 117.00 115.04 3bh6 n LEU 116 Ca 0.00 -1.56 -0.44 0.00 -0.03 0.00 0.00 56.01 53.98 3bh6 n LEU 116 Cb 0.18 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3bh6 n LEU 116 CO 0.20 0.74 0.93 -1.54 -1.33 0.00 0.00 177.39 176.38 3bh6 n SER 117 N 1.33 2.56 0.00 -1.43 3.41 -0.53 -1.70 113.62 117.27 3bh6 n SER 117 Ca 0.18 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.95 3bh6 n SER 117 Cb 0.56 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 3bh6 n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bh6 s VAL 119 N -2.81 4.25 0.23 0.00 1.01 -0.69 -4.75 120.40 117.63 3bh6 s VAL 119 Ca 0.00 1.56 -0.32 0.00 0.00 0.00 0.00 61.98 63.22 3bh6 s VAL 119 Cb 0.00 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 3bh6 s VAL 119 CO 0.00 -0.04 1.57 -2.65 0.00 0.00 0.00 175.10 173.98 3bh6 n PRO 120 N 5.57 2.39 -4.97 2.72 -0.02 -1.26 -4.75 135.00 134.69 3bh6 n PRO 120 Ca 0.12 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 62.13 3bh6 n PRO 120 Cb 0.46 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.17 3bh6 n PRO 120 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3bh6 s VAL 121 N 0.46 2.63 -0.19 -1.45 0.11 -0.74 -1.54 120.40 119.67 3bh6 s VAL 121 Ca 0.71 -0.82 -0.06 0.00 -2.93 0.00 0.00 61.98 58.89 3bh6 s VAL 121 Cb -0.59 -2.07 -0.03 0.00 -1.53 0.00 0.00 36.38 32.17 3bh6 s VAL 121 CO 0.43 0.54 0.01 -0.22 -3.33 0.00 0.00 175.10 172.53 3bh6 s LEU 122 N 0.32 3.40 -0.19 2.54 2.96 0.24 -2.29 118.68 125.66 3bh6 s LEU 122 Ca -0.14 -0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 53.53 3bh6 s LEU 122 Cb -0.17 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 3bh6 s LEU 122 CO 0.07 0.10 0.21 -0.63 -1.32 0.00 0.00 176.35 174.78 3bh6 s ILE 123 N 0.79 5.36 -0.38 6.68 1.09 0.13 -0.52 121.20 134.34 3bh6 s ILE 123 Ca 0.01 0.34 -0.14 0.00 -1.10 0.00 0.00 60.65 59.76 3bh6 s ILE 123 Cb -0.14 -3.55 0.00 0.00 -1.06 0.00 0.00 42.46 37.72 3bh6 s ILE 123 CO 0.02 0.40 0.28 -0.36 -0.10 0.00 0.00 174.94 175.18 3bh6 s PHE 124 N 0.55 3.23 -0.99 3.97 0.08 0.07 -0.41 117.98 124.49 3bh6 s PHE 124 Ca 0.11 -0.43 -0.23 0.00 0.12 0.00 0.00 56.93 56.51 3bh6 s PHE 124 Cb -0.12 -2.55 0.05 0.00 -0.57 0.00 0.00 43.02 39.83 3bh6 s PHE 124 CO 0.01 -0.50 1.41 0.00 -0.10 0.00 0.00 175.22 176.05 3bh6 s ALA 125 N 1.71 2.75 0.40 5.36 0.00 -0.50 -1.31 121.76 130.17 3bh6 s ALA 125 Ca 0.06 -2.20 -0.02 0.00 0.00 0.00 0.00 51.96 49.79 3bh6 s ALA 125 Cb -0.18 -4.47 -0.04 0.00 0.00 0.00 0.00 23.12 18.43 3bh6 s ALA 125 CO 0.10 -3.55 0.65 1.21 0.00 0.00 0.00 175.76 174.18 3bh6 s ASN 126 N 4.78 6.29 -0.41 0.00 2.47 -0.38 -1.13 114.94 126.55 3bh6 s ASN 126 Ca 0.44 0.66 -0.02 0.00 0.42 0.00 0.00 52.86 54.36 3bh6 s ASN 126 Cb -0.01 -2.13 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 3bh6 s ASN 126 CO -0.08 -0.41 0.36 0.29 -3.72 0.00 0.00 177.10 173.54 3bh6 n LYS 127 N -1.96 -2.41 0.04 0.43 5.02 -0.79 -1.38 118.16 117.12 3bh6 n LYS 127 Ca -0.02 0.26 0.13 0.00 -2.02 0.00 0.00 58.31 56.66 3bh6 n LYS 127 Cb 0.56 -3.56 0.52 0.00 -0.02 0.00 0.00 35.03 32.52 3bh6 n LYS 127 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3bh6 n GLN 128 N -1.94 0.11 0.00 1.97 1.13 -0.85 -2.18 117.38 115.62 3bh6 n GLN 128 Ca -0.02 0.11 0.01 0.00 -1.94 0.00 0.00 57.00 55.16 3bh6 n GLN 128 Cb 0.53 -1.63 0.06 0.00 0.11 0.00 0.00 30.24 29.31 3bh6 n GLN 128 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3bh6 n ASP 129 N -1.81 0.00 -4.97 1.08 5.75 -1.26 -4.78 116.55 110.55 3bh6 n ASP 129 Ca 0.06 0.49 -0.18 0.00 -0.01 0.00 0.00 54.79 55.15 3bh6 n ASP 129 Cb 0.36 -0.50 -0.00 0.00 -1.03 0.00 0.00 41.12 39.96 3bh6 n ASP 129 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3bh6 s LEU 130 N -2.99 3.65 -0.19 -2.12 1.43 -0.93 -5.07 118.68 112.46 3bh6 s LEU 130 Ca 0.01 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 3bh6 s LEU 130 Cb 0.02 -2.53 -0.12 0.00 0.03 0.00 0.00 46.19 43.58 3bh6 s LEU 130 CO 0.05 -0.67 -0.00 0.00 0.23 0.00 0.00 176.35 175.96 3bh6 n LEU 131 N -1.74 1.86 0.00 1.79 -0.00 -1.26 -3.25 117.00 114.40 3bh6 n LEU 131 Ca 0.05 0.48 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 3bh6 n LEU 131 Cb 0.59 -0.91 0.01 0.00 -0.00 0.00 0.00 43.42 43.11 3bh6 n LEU 131 CO 0.40 0.03 0.07 0.35 -0.00 0.00 0.00 177.39 178.24 3bh6 n THR 132 N -4.48 0.00 -2.41 1.47 -2.24 -1.26 -4.80 114.28 100.56 3bh6 n THR 132 Ca -0.25 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 3bh6 n THR 132 Cb 0.56 -0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 3bh6 n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bh6 s ALA 133 N -2.00 3.45 0.05 6.98 0.00 -1.20 -4.58 121.76 124.46 3bh6 s ALA 133 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 3bh6 s ALA 133 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3bh6 s ALA 133 CO 0.00 -1.60 1.14 0.00 0.00 0.00 0.00 175.76 175.31 3bh6 s ALA 134 N 4.14 3.34 0.76 0.00 0.00 -0.91 -4.94 121.76 124.15 3bh6 s ALA 134 Ca 0.56 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 3bh6 s ALA 134 Cb -0.18 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.58 3bh6 s ALA 134 CO 0.21 -0.37 1.13 -1.25 0.00 0.00 0.00 175.76 175.48 3bh6 s PRO 135 N 0.95 2.11 0.38 0.00 0.04 -1.26 -4.80 135.00 132.43 3bh6 s PRO 135 Ca 0.57 1.43 0.14 0.00 0.04 0.00 0.00 61.00 63.17 3bh6 s PRO 135 Cb -0.27 -1.86 0.96 0.00 0.04 0.00 0.00 34.50 33.37 3bh6 s PRO 135 CO 0.29 -1.79 1.84 0.00 0.04 0.00 0.00 177.00 177.38 3bh6 h ALA 136 N -0.82 2.03 -0.38 8.56 0.00 -1.94 -2.11 119.26 124.60 3bh6 h ALA 136 Ca -0.45 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.53 3bh6 h ALA 136 Cb 1.26 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 3bh6 h ALA 136 CO 0.50 -0.32 -0.52 0.77 0.00 0.00 0.00 179.25 179.68 3bh6 h SER 137 N 0.53 -1.73 -0.40 0.00 0.02 -2.00 -1.83 113.55 108.16 3bh6 h SER 137 Ca 0.48 0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 61.56 3bh6 h SER 137 Cb 1.02 0.71 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 3bh6 h SER 137 CO -0.22 -0.37 -0.16 -0.08 -1.14 0.00 0.00 176.83 174.86 3bh6 h GLU 138 N -0.37 0.81 -0.32 3.45 4.81 -1.74 -3.17 114.58 118.05 3bh6 h GLU 138 Ca 0.07 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 3bh6 h GLU 138 Cb 0.55 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3bh6 h GLU 138 CO -0.55 0.96 0.09 0.82 -0.73 0.00 0.00 179.01 179.60 3bh6 h ILE 139 N 0.62 1.21 -0.03 2.32 2.04 -1.51 -0.34 117.51 121.83 3bh6 h ILE 139 Ca 0.09 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3bh6 h ILE 139 Cb 0.70 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3bh6 h ILE 139 CO 0.05 0.24 -0.30 0.00 0.00 0.00 0.00 178.15 178.14 3bh6 h ALA 140 N 0.93 -0.73 0.00 1.87 0.00 -1.30 -0.81 119.26 119.21 3bh6 h ALA 140 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3bh6 h ALA 140 Cb 0.27 0.78 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3bh6 h ALA 140 CO -0.00 -0.83 0.00 1.05 0.00 0.00 0.00 179.25 179.47 3bh6 h GLU 141 N -0.36 0.00 -0.02 0.00 -0.00 -1.66 -1.05 114.58 111.49 3bh6 h GLU 141 Ca 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.38 3bh6 h GLU 141 Cb 0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.15 3bh6 h GLU 141 CO -0.22 0.00 0.02 0.78 -0.00 0.00 0.00 179.01 179.59 3bh6 h GLY 142 N 4.16 0.00 -1.54 1.06 0.00 -0.30 0.95 103.07 107.40 3bh6 h GLY 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bh6 h GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3bh6 n LEU 143 N -4.28 3.83 -4.26 3.11 4.77 -0.38 -4.97 117.00 114.82 3bh6 n LEU 143 Ca -0.02 -3.02 -0.31 0.00 -0.03 0.00 0.00 56.01 52.62 3bh6 n LEU 143 Cb 0.11 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 3bh6 n LEU 143 CO 0.32 0.68 -0.40 0.59 -1.33 0.00 0.00 177.39 177.24 3bh6 n ASN 144 N -0.54 0.45 0.31 -1.43 3.02 0.33 -4.71 115.26 112.68 3bh6 n ASN 144 Ca 0.21 -1.21 0.20 0.00 -0.03 0.00 0.00 54.58 53.75 3bh6 n ASN 144 Cb 0.88 -1.51 0.96 0.00 -0.61 0.00 0.00 39.78 39.51 3bh6 n ASN 144 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3bh6 h LEU 145 N -1.51 0.00 0.00 3.41 3.38 -1.48 -2.20 115.31 116.92 3bh6 h LEU 145 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3bh6 h LEU 145 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3bh6 h LEU 145 CO 0.71 0.01 0.00 1.41 0.09 0.00 0.00 178.44 180.65 3bh6 n HIS 146 N -3.13 0.00 -0.60 1.13 8.25 -1.26 -1.72 115.22 117.89 3bh6 n HIS 146 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.54 3bh6 n HIS 146 Cb 0.18 -0.27 0.34 0.00 1.12 0.00 0.00 29.99 31.36 3bh6 n HIS 146 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3bh6 n THR 147 N -1.27 1.76 -2.93 1.59 -2.24 -0.83 -4.84 114.28 105.53 3bh6 n THR 147 Ca 0.08 -1.22 -0.42 0.00 -2.27 0.00 0.00 64.05 60.22 3bh6 n THR 147 Cb 0.12 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.46 3bh6 n THR 147 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3bh6 s ILE 148 N -1.80 4.77 0.00 2.28 1.01 -0.70 -4.87 121.20 121.90 3bh6 s ILE 148 Ca 0.49 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.30 3bh6 s ILE 148 Cb 0.31 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.61 3bh6 s ILE 148 CO 0.24 -0.29 0.67 0.54 0.00 0.00 0.00 174.94 176.10 3bh6 n ARG 149 N 6.27 1.17 0.11 2.79 5.12 -1.26 -4.77 116.66 126.08 3bh6 n ARG 149 Ca 0.04 -0.88 0.13 0.00 -1.93 0.00 0.00 57.85 55.21 3bh6 n ARG 149 Cb 0.48 -0.75 0.43 0.00 -1.16 0.00 0.00 32.46 31.46 3bh6 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3bh6 n ASP 150 N -0.21 0.78 -3.63 0.55 2.03 -1.26 -4.97 116.55 109.84 3bh6 n ASP 150 Ca 0.00 0.60 -0.01 0.00 0.52 0.00 0.00 54.79 55.90 3bh6 n ASP 150 Cb 0.33 -0.80 -0.01 0.00 -0.72 0.00 0.00 41.12 39.92 3bh6 n ASP 150 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bh6 s ARG 151 N -3.16 0.52 0.25 -0.67 1.70 -1.26 -4.28 118.95 112.06 3bh6 s ARG 151 Ca 0.09 -0.27 -0.26 0.00 -0.47 0.00 0.00 55.73 54.82 3bh6 s ARG 151 Cb 0.12 0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 3bh6 s ARG 151 CO 0.55 -0.24 0.88 0.08 -1.08 0.00 0.00 175.30 175.49 3bh6 s VAL 152 N -2.59 4.24 0.08 4.99 1.01 -1.26 -4.99 120.40 121.88 3bh6 s VAL 152 Ca 0.12 1.82 -0.14 0.00 0.00 0.00 0.00 61.98 63.78 3bh6 s VAL 152 Cb 0.02 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.30 3bh6 s VAL 152 CO -0.03 0.35 0.34 -1.66 0.00 0.00 0.00 175.10 174.10 3bh6 s TRP 153 N -1.36 -0.12 -0.11 5.22 1.48 -1.26 -1.79 118.94 121.00 3bh6 s TRP 153 Ca 0.43 -0.11 -0.23 0.00 -1.06 0.00 0.00 56.10 55.13 3bh6 s TRP 153 Cb -0.22 0.15 0.05 0.00 -1.16 0.00 0.00 33.47 32.30 3bh6 s TRP 153 CO 0.27 -0.59 0.55 -1.14 -4.06 0.00 0.00 176.95 171.97 3bh6 s GLN 154 N -3.22 0.81 -0.18 3.25 2.00 -0.97 -5.01 119.66 116.35 3bh6 s GLN 154 Ca -0.00 0.36 -0.04 0.00 -2.00 0.00 0.00 55.36 53.67 3bh6 s GLN 154 Cb 0.01 0.38 -0.02 0.00 0.80 0.00 0.00 33.01 34.18 3bh6 s GLN 154 CO -0.08 -0.20 -0.02 -1.50 -0.50 0.00 0.00 175.29 172.99 3bh6 s ILE 155 N -0.64 3.87 -0.25 -2.34 2.07 -1.26 0.20 121.20 122.85 3bh6 s ILE 155 Ca -0.07 -0.35 0.02 0.00 -1.41 0.00 0.00 60.65 58.84 3bh6 s ILE 155 Cb -0.03 -2.72 0.05 0.00 0.13 0.00 0.00 42.46 39.90 3bh6 s ILE 155 CO 0.05 0.46 -0.12 -1.58 -1.91 0.00 0.00 174.94 171.85 3bh6 s GLN 156 N 0.67 2.27 0.23 3.50 -0.44 0.45 -4.97 119.66 121.37 3bh6 s GLN 156 Ca -0.02 -1.24 -0.32 0.00 -2.50 0.00 0.00 55.36 51.29 3bh6 s GLN 156 Cb -0.14 -2.81 -0.12 0.00 -1.64 0.00 0.00 33.01 28.30 3bh6 s GLN 156 CO 0.02 -0.52 1.70 -1.12 0.50 0.00 0.00 175.29 175.87 3bh6 s SER 157 N 1.16 6.37 0.32 6.67 0.01 -1.26 -1.41 113.70 125.55 3bh6 s SER 157 Ca -0.07 2.89 -0.12 0.00 1.31 0.00 0.00 55.95 59.97 3bh6 s SER 157 Cb -0.19 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.45 3bh6 s SER 157 CO -0.06 -0.97 0.59 0.00 0.41 0.00 0.00 173.24 173.21 3bh6 s SER 159 N -3.08 2.27 0.23 0.00 0.15 -0.39 -1.88 113.70 111.00 3bh6 s SER 159 Ca 0.21 -0.49 0.24 0.00 0.70 0.00 0.00 55.95 56.61 3bh6 s SER 159 Cb -0.02 -0.45 0.93 0.00 -1.71 0.00 0.00 66.02 64.77 3bh6 s SER 159 CO 0.13 -0.28 1.72 0.00 1.20 0.00 0.00 173.24 176.01 3bh6 n ALA 160 N 5.14 1.82 0.26 5.45 0.00 -1.26 -0.76 120.51 131.16 3bh6 n ALA 160 Ca -0.08 0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 3bh6 n ALA 160 Cb 0.49 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 3bh6 n ALA 160 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3bh6 h LEU 161 N 0.00 -0.61 0.00 0.00 6.46 -1.94 -3.34 115.31 115.88 3bh6 h LEU 161 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3bh6 h LEU 161 Cb 0.45 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 3bh6 h LEU 161 CO 0.00 -0.23 -0.48 0.71 -0.62 0.00 0.00 178.44 177.82 3bh6 h THR 162 N -1.14 0.00 0.00 1.05 1.35 -1.99 -3.48 112.91 108.70 3bh6 h THR 162 Ca -0.07 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3bh6 h THR 162 Cb 0.55 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3bh6 h THR 162 CO 0.12 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 3bh6 n GLY 163 N 1.29 1.17 3.72 5.82 0.00 0.06 -5.03 105.19 112.22 3bh6 n GLY 163 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3bh6 n GLY 163 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bh6 s GLU 164 N -0.32 4.35 0.00 1.61 2.12 -1.18 -2.91 118.70 122.36 3bh6 s GLU 164 Ca 0.00 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.34 3bh6 s GLU 164 Cb 0.00 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.12 3bh6 s GLU 164 CO 0.00 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 3bh6 n GLY 165 N 3.39 1.69 0.11 -1.50 0.00 -1.26 -1.26 105.19 106.35 3bh6 n GLY 165 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 3bh6 n GLY 165 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3bh6 h VAL 166 N 0.00 1.09 -0.92 1.61 2.07 -1.81 -3.09 116.25 115.20 3bh6 h VAL 166 Ca 0.00 -0.91 0.15 0.00 0.82 0.00 0.00 66.70 66.76 3bh6 h VAL 166 Cb 0.00 1.65 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 3bh6 h VAL 166 CO 0.00 0.21 0.52 -0.61 0.02 0.00 0.00 177.57 177.72 3bh6 h GLN 167 N -0.58 0.72 -0.49 1.57 5.75 -1.90 0.54 115.11 120.71 3bh6 h GLN 167 Ca -0.02 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 3bh6 h GLN 167 Cb 0.46 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 3bh6 h GLN 167 CO 0.02 0.48 0.33 -0.44 -2.65 0.00 0.00 178.83 176.57 3bh6 h ASP 168 N 0.74 0.41 -0.04 -0.69 3.32 -1.94 0.15 116.42 118.38 3bh6 h ASP 168 Ca 0.50 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.50 3bh6 h ASP 168 Cb 0.67 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3bh6 h ASP 168 CO -0.34 0.27 -0.17 1.23 -1.72 0.00 0.00 179.24 178.52 3bh6 h GLY 169 N 0.47 0.21 1.42 2.75 0.00 -0.85 -3.14 103.07 103.93 3bh6 h GLY 169 Ca 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 3bh6 h GLY 169 CO -0.05 0.25 0.17 -0.33 0.00 0.00 0.00 176.54 176.57 3bh6 h MET 170 N -0.37 0.74 -0.89 4.80 2.86 -0.61 -1.85 114.93 119.61 3bh6 h MET 170 Ca -0.01 -0.12 0.06 0.00 -2.06 0.00 0.00 59.70 57.57 3bh6 h MET 170 Cb 0.81 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.28 3bh6 h MET 170 CO 0.03 0.63 0.56 -0.91 1.06 0.00 0.00 176.91 178.28 3bh6 h ASN 171 N 0.72 0.88 -0.32 1.22 2.35 -0.78 -0.88 115.58 118.78 3bh6 h ASN 171 Ca 0.17 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 3bh6 h ASN 171 Cb 0.20 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3bh6 h ASN 171 CO -0.01 0.56 -0.08 -0.25 -1.65 0.00 0.00 177.43 176.00 3bh6 h TRP 172 N 1.01 0.79 -0.31 1.19 7.01 -1.35 -0.91 115.95 123.39 3bh6 h TRP 172 Ca 0.39 -0.13 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 3bh6 h TRP 172 Cb 0.17 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 3bh6 h TRP 172 CO -0.03 0.79 0.16 0.28 -2.79 0.00 0.00 178.44 176.85 3bh6 h VAL 173 N 0.67 1.14 -0.50 2.65 2.07 -0.55 -1.90 116.25 119.83 3bh6 h VAL 173 Ca 0.12 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 3bh6 h VAL 173 Cb 0.54 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3bh6 h VAL 173 CO 0.03 0.14 0.04 0.00 0.02 0.00 0.00 177.57 177.80 3bh6 h LYS 175 N 0.72 0.63 -0.46 0.00 3.64 -0.93 -2.73 116.57 117.44 3bh6 h LYS 175 Ca 0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3bh6 h LYS 175 Cb 0.46 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3bh6 h LYS 175 CO 0.02 0.42 0.00 0.09 -2.27 0.00 0.00 179.45 177.71 3bh6 n ASN 176 N -4.65 3.89 0.00 4.20 3.02 -0.74 -5.09 115.26 115.90 3bh6 n ASN 176 Ca 0.21 -2.41 0.16 0.00 -0.03 0.00 0.00 54.58 52.51 3bh6 n ASN 176 Cb 0.60 -0.45 0.93 0.00 -0.61 0.00 0.00 39.78 40.25 3bh6 n ASN 176 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16