#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n6l n ASN 16 N 0.00 3.03 -4.80 1.61 6.94 -1.24 -4.76 115.26 116.04 1n6l n ASN 16 Ca 0.00 -1.90 -0.37 0.00 -0.02 0.00 0.00 54.58 52.29 1n6l n ASN 16 Cb 0.00 -0.23 -0.06 0.00 -2.36 0.00 0.00 39.78 37.12 1n6l n ASN 16 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1n6l s LYS 17 N -1.10 4.37 -0.09 -3.83 1.02 -1.18 -4.96 119.74 113.97 1n6l s LYS 17 Ca 0.29 1.03 0.01 0.00 0.02 0.00 0.00 55.97 57.32 1n6l s LYS 17 Cb 0.16 -2.88 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 1n6l s LYS 17 CO 0.22 0.37 -0.12 0.96 -0.92 0.00 0.00 175.35 175.86 1n6l s ILE 18 N -1.53 1.17 0.14 2.17 -4.36 -1.26 0.04 121.20 117.57 1n6l s ILE 18 Ca 0.45 -0.46 0.09 0.00 -0.26 0.00 0.00 60.65 60.47 1n6l s ILE 18 Cb -0.18 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.40 1n6l s ILE 18 CO 0.22 0.37 -0.22 0.00 0.24 0.00 0.00 174.94 175.56 1n6l s GLN 20 N -2.29 0.19 0.07 0.00 0.74 -1.26 0.19 119.66 117.30 1n6l s GLN 20 Ca 0.12 -0.21 -0.21 0.00 0.05 0.00 0.00 55.36 55.11 1n6l s GLN 20 Cb -0.09 0.07 0.05 0.00 1.10 0.00 0.00 33.01 34.15 1n6l s GLN 20 CO 0.06 -0.03 0.50 -0.59 -0.55 0.00 0.00 175.29 174.68 1n6l s PHE 21 N -0.63 -0.39 -0.17 1.67 -0.12 -0.88 -4.95 117.98 112.52 1n6l s PHE 21 Ca -0.07 0.36 -0.13 0.00 -0.05 0.00 0.00 56.93 57.04 1n6l s PHE 21 Cb -0.04 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.64 1n6l s PHE 21 CO -0.00 -0.66 0.25 0.21 -0.05 0.00 0.00 175.22 174.97 1n6l s LYS 22 N -2.73 4.22 -0.05 1.99 2.20 -1.26 -1.61 119.74 122.50 1n6l s LYS 22 Ca -0.04 0.02 0.04 0.00 -0.36 0.00 0.00 55.97 55.64 1n6l s LYS 22 Cb -0.00 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1n6l s LYS 22 CO -0.04 0.26 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.87 1n6l s LEU 23 N 0.41 1.88 -0.01 5.43 0.20 -0.02 -0.58 118.68 125.99 1n6l s LEU 23 Ca 0.15 -0.37 0.07 0.00 0.69 0.00 0.00 54.13 54.67 1n6l s LEU 23 Cb -0.13 -0.99 -0.02 0.00 -0.43 0.00 0.00 46.19 44.62 1n6l s LEU 23 CO 0.03 0.13 -0.23 0.54 -0.29 0.00 0.00 176.35 176.52 1n6l s VAL 24 N 0.18 2.29 -0.14 1.68 0.11 -0.60 -0.67 120.40 123.26 1n6l s VAL 24 Ca -0.07 -1.08 -0.03 0.00 -2.93 0.00 0.00 61.98 57.87 1n6l s VAL 24 Cb -0.13 -1.83 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 1n6l s VAL 24 CO 0.03 0.54 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.56 1n6l s LEU 25 N -0.75 3.33 0.08 2.54 1.02 -0.10 -0.66 118.68 124.13 1n6l s LEU 25 Ca 0.11 -0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.22 1n6l s LEU 25 Cb -0.10 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.28 1n6l s LEU 25 CO -0.00 0.21 -0.10 -0.76 0.02 0.00 0.00 176.35 175.72 1n6l s LEU 26 N 0.12 2.36 0.00 1.79 1.43 -0.49 -2.86 118.68 121.03 1n6l s LEU 26 Ca -0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1n6l s LEU 26 Cb -0.13 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1n6l s LEU 26 CO 0.03 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.98 1n6l n GLY 27 N 0.82 3.27 3.71 -3.19 0.00 -1.26 -0.52 105.19 108.02 1n6l n GLY 27 Ca -0.18 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 1n6l n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n6l n GLU 28 N -1.22 1.19 -3.11 1.61 2.13 -1.26 -4.18 120.64 115.81 1n6l n GLU 28 Ca 0.00 0.46 -0.39 0.00 0.66 0.00 0.00 57.16 57.89 1n6l n GLU 28 Cb 0.00 -2.49 -0.05 0.00 0.27 0.00 0.00 31.44 29.17 1n6l n GLU 28 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1n6l s SER 29 N -1.27 7.03 -0.70 4.31 0.15 -1.24 -1.92 113.70 120.06 1n6l s SER 29 Ca 0.80 1.23 0.05 0.00 0.70 0.00 0.00 55.95 58.73 1n6l s SER 29 Cb -0.39 -2.40 0.20 0.00 -1.71 0.00 0.00 66.02 61.71 1n6l s SER 29 CO 0.43 0.02 0.59 -0.81 1.20 0.00 0.00 173.24 174.68 1n6l n PRO 30 N 3.02 2.10 0.05 5.44 -0.04 -1.26 -4.92 135.00 139.40 1n6l n PRO 30 Ca -0.04 -4.55 0.10 0.00 -0.04 0.00 0.00 63.50 58.97 1n6l n PRO 30 Cb 0.51 -2.29 0.42 0.00 -0.04 0.00 0.00 33.50 32.10 1n6l n PRO 30 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1n6l n VAL 31 N 1.63 0.75 0.00 0.52 0.24 -0.81 -4.88 118.33 115.78 1n6l n VAL 31 Ca 0.23 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.68 1n6l n VAL 31 Cb 0.37 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 1n6l n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n6l n GLY 32 N 0.37 1.63 0.28 7.63 0.00 -1.26 -4.63 105.19 109.21 1n6l n GLY 32 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1n6l n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n6l h LYS 33 N 0.00 -0.43 -0.83 1.61 1.57 -1.91 0.04 116.57 116.62 1n6l h LYS 33 Ca 0.00 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1n6l h LYS 33 Cb 0.00 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1n6l h LYS 33 CO 0.00 -0.29 0.47 0.77 -0.57 0.00 0.00 179.45 179.83 1n6l h SER 34 N -0.45 1.02 -0.73 0.86 0.02 -1.95 -1.84 113.55 110.47 1n6l h SER 34 Ca 0.03 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1n6l h SER 34 Cb 0.47 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1n6l h SER 34 CO -0.14 0.81 0.25 0.28 -1.14 0.00 0.00 176.83 176.89 1n6l h SER 35 N 1.15 1.05 -0.48 3.07 0.02 -1.88 0.45 113.55 116.92 1n6l h SER 35 Ca 0.29 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1n6l h SER 35 Cb 0.00 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1n6l h SER 35 CO -0.05 0.96 0.24 -0.07 -1.14 0.00 0.00 176.83 176.77 1n6l h LEU 36 N 1.08 0.62 -0.17 5.07 3.38 -0.48 -0.12 115.31 124.70 1n6l h LEU 36 Ca 0.24 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1n6l h LEU 36 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1n6l h LEU 36 CO -0.01 0.57 0.03 0.58 0.09 0.00 0.00 178.44 179.69 1n6l h VAL 37 N 0.64 1.22 -0.88 1.22 2.07 -1.08 -1.96 116.25 117.48 1n6l h VAL 37 Ca 0.17 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.01 1n6l h VAL 37 Cb 0.10 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1n6l h VAL 37 CO -0.02 0.22 0.58 -0.07 0.02 0.00 0.00 177.57 178.29 1n6l h LEU 38 N 0.07 0.95 -0.50 2.57 3.38 -0.77 0.14 115.31 121.15 1n6l h LEU 38 Ca 0.05 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1n6l h LEU 38 Cb 0.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1n6l h LEU 38 CO 0.00 0.66 0.08 -0.09 0.09 0.00 0.00 178.44 179.18 1n6l h ARG 39 N 1.11 0.83 -0.24 1.13 9.65 -0.80 0.11 114.38 126.16 1n6l h ARG 39 Ca 0.35 -0.22 -0.10 0.00 -1.10 0.00 0.00 59.98 58.90 1n6l h ARG 39 Cb 0.01 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.49 1n6l h ARG 39 CO -0.10 0.83 -0.23 0.35 2.80 0.00 0.00 179.97 183.61 1n6l h PHE 40 N 0.70 0.70 0.20 2.20 3.57 -0.71 -1.60 116.94 121.99 1n6l h PHE 40 Ca 0.15 -0.21 -0.31 0.00 3.53 0.00 0.00 57.97 61.14 1n6l h PHE 40 Cb 0.40 -0.15 0.02 0.00 2.79 0.00 0.00 35.95 39.01 1n6l h PHE 40 CO 0.03 0.91 -1.44 0.28 -2.23 0.00 0.00 178.31 175.85 1n6l h VAL 41 N 0.29 1.18 -0.00 1.41 2.07 -0.74 -3.40 116.25 117.05 1n6l h VAL 41 Ca 0.04 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1n6l h VAL 41 Cb 0.78 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1n6l h VAL 41 CO 0.06 0.79 -0.04 0.29 0.02 0.00 0.00 177.57 178.69 1n6l n LYS 42 N -3.78 1.09 -2.04 1.57 5.02 0.33 -4.99 118.16 115.35 1n6l n LYS 42 Ca -0.20 -0.57 -0.17 0.00 -2.02 0.00 0.00 58.31 55.35 1n6l n LYS 42 Cb 1.02 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 35.02 1n6l n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n6l n GLY 43 N 0.44 0.35 3.59 0.72 0.00 -0.60 -4.97 105.19 104.71 1n6l n GLY 43 Ca 0.02 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1n6l n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n6l s GLN 44 N -4.36 1.99 -0.11 1.61 -0.21 -1.16 -4.95 119.66 112.47 1n6l s GLN 44 Ca 0.00 -1.72 -0.05 0.00 0.02 0.00 0.00 55.36 53.61 1n6l s GLN 44 Cb 0.00 -1.90 0.05 0.00 1.00 0.00 0.00 33.01 32.16 1n6l s GLN 44 CO 0.00 0.22 0.25 0.12 -2.12 0.00 0.00 175.29 173.76 1n6l s PHE 45 N -2.49 -0.35 -0.21 0.91 5.36 -1.26 -2.70 117.98 117.23 1n6l s PHE 45 Ca 0.33 0.83 -0.02 0.00 -0.96 0.00 0.00 56.93 57.11 1n6l s PHE 45 Cb -0.02 0.01 0.01 0.00 -0.34 0.00 0.00 43.02 42.68 1n6l s PHE 45 CO 0.18 -0.27 -0.11 -1.01 -1.46 0.00 0.00 175.22 172.56 1n6l s HIS 46 N 1.60 2.90 0.50 10.12 3.76 -1.26 -4.97 115.29 127.94 1n6l s HIS 46 Ca -0.06 -1.30 0.16 0.00 -0.15 0.00 0.00 55.06 53.71 1n6l s HIS 46 Cb -0.11 -2.03 1.21 0.00 1.11 0.00 0.00 32.58 32.76 1n6l s HIS 46 CO -0.08 -0.67 2.11 1.49 -0.85 0.00 0.00 174.74 176.73 1n6l h GLU 47 N 8.03 0.00 -4.75 1.40 4.57 -2.02 -3.35 114.58 118.45 1n6l h GLU 47 Ca -0.42 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.08 1n6l h GLU 47 Cb 1.14 0.00 -0.34 0.00 -0.16 0.00 0.00 28.75 29.39 1n6l h GLU 47 CO 0.61 0.05 -0.70 -0.06 -1.18 0.00 0.00 179.01 177.73 1n6l s PHE 48 N -4.95 3.33 -0.07 0.92 0.40 -1.26 -5.08 117.98 111.27 1n6l s PHE 48 Ca -0.05 -2.07 0.02 0.00 -0.60 0.00 0.00 56.93 54.23 1n6l s PHE 48 Cb 0.17 -2.24 0.01 0.00 0.51 0.00 0.00 43.02 41.47 1n6l s PHE 48 CO 0.67 -0.84 -0.13 -1.14 0.70 0.00 0.00 175.22 174.48 1n6l s GLN 49 N 1.19 1.84 0.49 0.44 2.00 -1.26 -5.13 119.66 119.24 1n6l s GLN 49 Ca -0.04 -0.46 -0.21 0.00 -2.00 0.00 0.00 55.36 52.66 1n6l s GLN 49 Cb -0.20 -1.52 -0.08 0.00 0.80 0.00 0.00 33.01 32.02 1n6l s GLN 49 CO -0.02 0.02 1.08 -1.83 -0.50 0.00 0.00 175.29 174.04 1n6l s GLU 50 N 0.69 3.70 0.38 1.67 -1.05 -1.26 -4.96 118.70 117.88 1n6l s GLU 50 Ca -0.14 1.50 -0.27 0.00 -0.15 0.00 0.00 54.97 55.91 1n6l s GLU 50 Cb -0.16 -2.15 -0.10 0.00 -0.44 0.00 0.00 34.13 31.28 1n6l s GLU 50 CO 0.03 -0.54 1.42 -1.12 0.95 0.00 0.00 175.26 176.01 1n6l s SER 51 N -1.80 6.33 0.34 0.83 0.01 -1.26 -4.96 113.70 113.20 1n6l s SER 51 Ca 0.67 2.92 -0.26 0.00 1.31 0.00 0.00 55.95 60.60 1n6l s SER 51 Cb -0.21 -2.66 -0.10 0.00 0.21 0.00 0.00 66.02 63.27 1n6l s SER 51 CO 0.24 -0.86 1.00 -0.89 0.41 0.00 0.00 173.24 173.14 1n6l s THR 52 N -1.15 3.96 -0.32 1.44 2.01 -1.26 -5.03 115.64 115.29 1n6l s THR 52 Ca 0.54 1.62 -0.05 0.00 0.31 0.00 0.00 61.69 64.11 1n6l s THR 52 Cb -0.44 -3.89 0.04 0.00 0.01 0.00 0.00 72.50 68.22 1n6l s THR 52 CO 0.59 0.12 0.06 -0.63 -0.69 0.00 0.00 174.62 174.07 1n6l s ILE 53 N -1.58 3.50 0.00 1.82 1.01 -1.26 -4.65 121.20 120.04 1n6l s ILE 53 Ca 0.52 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1n6l s ILE 53 Cb -0.21 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1n6l s ILE 53 CO 0.27 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1n6l n GLY 54 N 4.75 1.86 3.48 6.18 0.00 -1.26 -4.72 105.19 115.47 1n6l n GLY 54 Ca -0.13 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1n6l n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6l s ALA 55 N -1.00 -1.74 0.13 4.61 0.00 -1.26 -0.70 121.76 121.81 1n6l s ALA 55 Ca 0.00 0.89 0.07 0.00 0.00 0.00 0.00 51.96 52.92 1n6l s ALA 55 Cb 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 1n6l s ALA 55 CO 0.00 -0.66 -0.17 0.00 0.00 0.00 0.00 175.76 174.93 1n6l s ALA 56 N -3.00 1.77 -0.05 0.00 0.00 -0.30 -4.97 121.76 115.22 1n6l s ALA 56 Ca 0.01 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 50.66 1n6l s ALA 56 Cb -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1n6l s ALA 56 CO -0.08 0.22 -0.18 0.12 0.00 0.00 0.00 175.76 175.85 1n6l s PHE 57 N -1.84 1.79 0.08 0.00 5.36 -1.26 -0.76 117.98 121.35 1n6l s PHE 57 Ca 0.11 -0.54 -0.05 0.00 -0.96 0.00 0.00 56.93 55.48 1n6l s PHE 57 Cb -0.07 -1.21 -0.02 0.00 -0.34 0.00 0.00 43.02 41.39 1n6l s PHE 57 CO 0.05 -0.19 0.10 -0.51 -1.46 0.00 0.00 175.22 173.21 1n6l s LEU 58 N 0.10 1.84 0.09 6.12 1.02 -0.60 -5.01 118.68 122.23 1n6l s LEU 58 Ca -0.06 -0.81 0.04 0.00 0.02 0.00 0.00 54.13 53.32 1n6l s LEU 58 Cb -0.12 0.69 -0.03 0.00 0.02 0.00 0.00 46.19 46.74 1n6l s LEU 58 CO 0.03 -0.68 -0.10 0.28 0.02 0.00 0.00 176.35 175.89 1n6l s THR 59 N -3.89 0.90 -0.15 5.49 -1.32 -1.26 -0.50 115.64 114.91 1n6l s THR 59 Ca 0.07 -1.54 -0.18 0.00 -1.21 0.00 0.00 61.69 58.83 1n6l s THR 59 Cb 0.06 -1.24 0.05 0.00 -1.51 0.00 0.00 72.50 69.86 1n6l s THR 59 CO -0.10 -0.51 0.48 -1.58 -2.21 0.00 0.00 174.62 170.71 1n6l s GLN 60 N -2.55 0.64 -0.08 7.08 2.00 -0.95 -4.93 119.66 120.87 1n6l s GLN 60 Ca 0.03 0.51 0.04 0.00 -2.00 0.00 0.00 55.36 53.94 1n6l s GLN 60 Cb -0.04 0.30 -0.00 0.00 0.80 0.00 0.00 33.01 34.07 1n6l s GLN 60 CO 0.00 -0.11 -0.22 0.99 -0.50 0.00 0.00 175.29 175.45 1n6l s THR 61 N -0.12 1.90 0.26 -0.34 2.01 -1.26 0.35 115.64 118.43 1n6l s THR 61 Ca -0.03 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.07 1n6l s THR 61 Cb -0.03 -1.64 -0.06 0.00 0.01 0.00 0.00 72.50 70.78 1n6l s THR 61 CO 0.02 0.53 0.01 0.68 -0.69 0.00 0.00 174.62 175.16 1n6l s VAL 62 N 0.26 1.13 -0.33 3.82 -7.23 0.15 -4.97 120.40 113.23 1n6l s VAL 62 Ca -0.14 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 57.88 1n6l s VAL 62 Cb -0.16 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 1n6l s VAL 62 CO 0.07 -0.23 0.20 0.00 -0.31 0.00 0.00 175.10 174.82 1n6l s LEU 64 N 1.66 4.73 0.00 0.00 2.96 -0.04 -5.00 118.68 122.99 1n6l s LEU 64 Ca 0.05 -2.31 0.00 0.00 -0.22 0.00 0.00 54.13 51.65 1n6l s LEU 64 Cb -0.17 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1n6l s LEU 64 CO 0.08 -0.37 0.00 0.47 -1.32 0.00 0.00 176.35 175.22 1n6l n ASP 65 N 4.07 0.00 -1.01 3.68 8.00 -1.26 -1.43 116.55 128.60 1n6l n ASP 65 Ca 0.04 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.62 1n6l n ASP 65 Cb 0.40 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.77 1n6l n ASP 65 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1n6l n ASP 66 N 11.46 4.01 -4.14 -2.24 5.75 -1.26 -4.51 116.55 125.61 1n6l n ASP 66 Ca 0.00 -2.83 -0.25 0.00 -0.01 0.00 0.00 54.79 51.70 1n6l n ASP 66 Cb 0.00 -0.52 -0.16 0.00 -1.03 0.00 0.00 41.12 39.42 1n6l n ASP 66 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1n6l s THR 67 N -2.49 1.36 -0.54 2.12 2.01 -0.51 -3.12 115.64 114.46 1n6l s THR 67 Ca 0.41 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.52 1n6l s THR 67 Cb 0.32 -1.15 0.08 0.00 0.01 0.00 0.00 72.50 71.76 1n6l s THR 67 CO 0.12 0.39 0.63 -0.89 -0.69 0.00 0.00 174.62 174.18 1n6l s THR 68 N -0.18 4.90 -0.21 -0.82 2.01 0.11 -0.86 115.64 120.58 1n6l s THR 68 Ca 0.01 -0.76 -0.15 0.00 0.31 0.00 0.00 61.69 61.10 1n6l s THR 68 Cb -0.09 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 1n6l s THR 68 CO 0.01 -0.91 0.38 -0.69 -0.69 0.00 0.00 174.62 172.72 1n6l s VAL 69 N 2.53 5.21 -0.28 3.82 1.01 -0.43 -0.65 120.40 131.61 1n6l s VAL 69 Ca 0.12 0.65 -0.09 0.00 0.00 0.00 0.00 61.98 62.67 1n6l s VAL 69 Cb -0.22 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1n6l s VAL 69 CO 0.09 0.25 0.12 -0.75 0.00 0.00 0.00 175.10 174.81 1n6l s LYS 70 N 1.37 3.57 -0.18 2.72 2.20 0.13 -0.67 119.74 128.88 1n6l s LYS 70 Ca 0.18 -0.55 -0.19 0.00 -0.36 0.00 0.00 55.97 55.04 1n6l s LYS 70 Cb -0.15 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1n6l s LYS 70 CO 0.08 -0.28 0.55 -0.06 -0.36 0.00 0.00 175.35 175.28 1n6l s PHE 71 N 1.64 3.41 -0.40 4.03 0.08 0.15 -2.07 117.98 124.82 1n6l s PHE 71 Ca 0.06 0.87 -0.09 0.00 0.12 0.00 0.00 56.93 57.89 1n6l s PHE 71 Cb -0.16 -2.70 0.06 0.00 -0.57 0.00 0.00 43.02 39.66 1n6l s PHE 71 CO 0.06 -0.06 0.23 -1.21 -0.10 0.00 0.00 175.22 174.13 1n6l s GLU 72 N 1.48 2.63 -0.23 0.44 2.02 -0.63 -2.23 118.70 122.18 1n6l s GLU 72 Ca 0.27 -1.36 -0.06 0.00 0.02 0.00 0.00 54.97 53.83 1n6l s GLU 72 Cb -0.16 -3.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.33 1n6l s GLU 72 CO 0.10 -0.87 0.04 0.42 0.02 0.00 0.00 175.26 174.97 1n6l s ILE 73 N 1.44 4.17 -0.39 -1.63 1.01 0.34 -0.84 121.20 125.30 1n6l s ILE 73 Ca 0.02 -0.23 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 1n6l s ILE 73 Cb -0.22 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.35 1n6l s ILE 73 CO 0.03 0.38 0.25 0.26 0.00 0.00 0.00 174.94 175.87 1n6l s TRP 74 N 1.29 3.24 -0.58 3.97 0.52 0.16 -1.56 118.94 125.97 1n6l s TRP 74 Ca 0.04 -0.71 -0.18 0.00 0.02 0.00 0.00 56.10 55.27 1n6l s TRP 74 Cb -0.15 -2.51 0.11 0.00 -1.15 0.00 0.00 33.47 29.77 1n6l s TRP 74 CO 0.02 -0.59 0.67 0.34 0.02 0.00 0.00 176.95 177.42 1n6l s ASP 75 N 1.63 6.18 0.45 2.95 2.15 0.06 -0.92 116.67 129.17 1n6l s ASP 75 Ca 0.04 -1.48 -0.15 0.00 0.43 0.00 0.00 52.55 51.38 1n6l s ASP 75 Cb -0.19 -2.29 -0.08 0.00 -0.30 0.00 0.00 42.92 40.06 1n6l s ASP 75 CO 0.09 -1.08 0.89 0.42 -0.17 0.00 0.00 175.17 175.32 1n6l s THR 76 N 2.52 4.60 0.06 1.71 -4.23 -1.13 -1.14 115.64 118.03 1n6l s THR 76 Ca 0.10 1.06 -0.30 0.00 -1.18 0.00 0.00 61.69 61.37 1n6l s THR 76 Cb -0.25 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 69.85 1n6l s THR 76 CO 0.06 -0.52 1.07 0.00 -0.54 0.00 0.00 174.62 174.70 1n6l s ALA 77 N -2.40 3.29 -0.95 3.99 0.00 0.13 -4.91 121.76 120.90 1n6l s ALA 77 Ca 0.57 0.70 0.25 0.00 0.00 0.00 0.00 51.96 53.47 1n6l s ALA 77 Cb -0.10 -3.37 0.47 0.00 0.00 0.00 0.00 23.12 20.12 1n6l s ALA 77 CO 0.27 -0.27 1.39 0.41 0.00 0.00 0.00 175.76 177.55 1n6l n GLY 78 N 2.80 -1.26 3.74 0.00 0.00 -1.26 -4.82 105.19 104.39 1n6l n GLY 78 Ca 0.06 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1n6l n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n6l n GLN 79 N -1.57 2.11 -0.31 1.61 6.02 -1.26 -3.72 117.38 120.25 1n6l n GLN 79 Ca 0.05 0.75 0.20 0.00 -0.01 0.00 0.00 57.00 57.99 1n6l n GLN 79 Cb 0.35 -2.54 0.47 0.00 1.02 0.00 0.00 30.24 29.54 1n6l n GLN 79 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1n6l h GLU 80 N 2.17 0.46 0.00 -1.09 4.39 -1.98 -0.55 114.58 117.98 1n6l h GLU 80 Ca -0.50 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1n6l h GLU 80 Cb 1.28 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1n6l h GLU 80 CO 0.60 0.30 0.00 2.89 -1.16 0.00 0.00 179.01 181.65 1n6l n ARG 81 N -4.64 0.09 -0.14 2.33 1.85 -1.26 -1.19 116.66 113.71 1n6l n ARG 81 Ca 0.24 0.53 0.12 0.00 -1.00 0.00 0.00 57.85 57.74 1n6l n ARG 81 Cb 0.78 -1.77 0.18 0.00 -1.05 0.00 0.00 32.46 30.60 1n6l n ARG 81 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1n6l n TYR 82 N -1.97 0.36 -0.27 2.89 4.02 -0.21 -4.54 117.16 117.43 1n6l n TYR 82 Ca -0.00 -0.19 0.04 0.00 -0.01 0.00 0.00 57.90 57.74 1n6l n TYR 82 Cb 0.06 -0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.56 1n6l n TYR 82 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1n6l h HIS 83 N 4.41 0.73 0.00 -0.72 2.76 -1.26 -1.07 115.15 120.00 1n6l h HIS 83 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1n6l h HIS 83 Cb 0.97 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.72 1n6l h HIS 83 CO 0.18 0.24 0.00 -1.13 -1.30 0.00 0.00 177.93 175.92 1n6l n SER 84 N -4.84 0.40 0.05 3.26 3.41 -1.26 -1.77 113.62 112.87 1n6l n SER 84 Ca 0.14 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 1n6l n SER 84 Cb 0.33 -0.71 0.15 0.00 -0.26 0.00 0.00 64.21 63.72 1n6l n SER 84 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n6l n LEU 85 N -1.99 0.66 -0.26 1.04 4.77 -0.41 -4.49 117.00 116.33 1n6l n LEU 85 Ca 0.01 0.16 0.05 0.00 -0.03 0.00 0.00 56.01 56.21 1n6l n LEU 85 Cb 0.12 -0.17 0.19 0.00 -2.33 0.00 0.00 43.42 41.23 1n6l n LEU 85 CO 0.12 -0.02 1.02 0.00 -1.33 0.00 0.00 177.39 177.18 1n6l h ALA 86 N 2.55 1.08 -0.00 -1.18 0.00 -1.36 -0.74 119.26 119.60 1n6l h ALA 86 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1n6l h ALA 86 Cb 0.73 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1n6l h ALA 86 CO 0.00 -0.20 0.00 -1.35 0.00 0.00 0.00 179.25 177.70 1n6l h PRO 87 N 0.46 0.00 0.00 0.00 0.11 -1.80 0.12 132.00 130.88 1n6l h PRO 87 Ca 0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.50 1n6l h PRO 87 Cb 0.63 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 1n6l h PRO 87 CO -0.40 0.00 -0.12 0.52 -0.21 0.00 0.00 178.00 177.80 1n6l h MET 88 N 0.00 0.00 0.00 1.05 2.86 -1.44 -0.85 114.93 116.55 1n6l h MET 88 Ca 0.00 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.28 1n6l h MET 88 Cb 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 1n6l h MET 88 CO -0.00 0.12 -2.32 0.66 1.06 0.00 0.00 176.91 176.42 1n6l n TYR 89 N -3.47 0.10 0.11 -0.22 0.53 0.28 -4.55 117.16 109.95 1n6l n TYR 89 Ca -0.01 0.04 0.11 0.00 -1.02 0.00 0.00 57.90 57.02 1n6l n TYR 89 Cb 0.27 -1.02 -0.09 0.00 -1.03 0.00 0.00 39.34 37.47 1n6l n TYR 89 CO 0.00 0.00 0.00 2.48 -1.02 0.00 0.00 176.86 178.32 1n6l n TYR 90 N -2.78 0.37 -0.27 -0.72 0.18 -0.43 -4.49 117.16 109.02 1n6l n TYR 90 Ca -0.31 0.11 -0.05 0.00 1.88 0.00 0.00 57.90 59.52 1n6l n TYR 90 Cb 1.15 -0.64 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 1n6l n TYR 90 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 1n6l h ARG 91 N 0.00 -0.11 -0.65 -3.48 2.43 -1.39 -1.26 114.38 109.92 1n6l h ARG 91 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1n6l h ARG 91 Cb 0.96 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1n6l h ARG 91 CO 0.00 -0.08 0.00 0.41 -1.51 0.00 0.00 179.97 178.79 1n6l n GLY 92 N -1.43 2.51 3.76 2.80 0.00 -1.26 -4.27 105.19 107.31 1n6l n GLY 92 Ca 0.05 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1n6l n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6l s ALA 93 N -1.86 3.32 -0.27 4.61 0.00 -0.48 -4.75 121.76 122.34 1n6l s ALA 93 Ca 0.47 0.84 0.23 0.00 0.00 0.00 0.00 51.96 53.50 1n6l s ALA 93 Cb 0.31 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1n6l s ALA 93 CO 0.23 -0.16 0.95 1.04 0.00 0.00 0.00 175.76 177.82 1n6l n GLN 94 N 0.89 0.56 -3.72 0.00 3.00 0.26 -4.68 117.38 113.68 1n6l n GLN 94 Ca 0.00 0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 56.93 1n6l n GLN 94 Cb 0.46 -1.73 -0.06 0.00 0.00 0.00 0.00 30.24 28.90 1n6l n GLN 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1n6l s ALA 95 N -3.36 -0.71 0.01 -1.58 0.00 -0.94 -1.48 121.76 113.71 1n6l s ALA 95 Ca -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 1n6l s ALA 95 Cb 0.11 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1n6l s ALA 95 CO 0.81 -0.53 0.00 0.00 0.00 0.00 0.00 175.76 176.04 1n6l s ALA 96 N -3.32 0.03 -0.20 0.00 0.00 -0.18 -1.56 121.76 116.53 1n6l s ALA 96 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1n6l s ALA 96 Cb 0.02 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1n6l s ALA 96 CO -0.08 -0.14 -0.18 0.42 0.00 0.00 0.00 175.76 175.78 1n6l s ILE 97 N -1.17 2.11 -0.22 0.00 1.01 0.16 -0.67 121.20 122.42 1n6l s ILE 97 Ca -0.13 -1.10 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 1n6l s ILE 97 Cb -0.08 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1n6l s ILE 97 CO -0.00 0.41 0.31 -0.69 0.00 0.00 0.00 174.94 174.96 1n6l s VAL 98 N 1.25 5.26 -0.07 2.92 1.01 0.16 -1.39 120.40 129.54 1n6l s VAL 98 Ca 0.02 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1n6l s VAL 98 Cb -0.15 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1n6l s VAL 98 CO -0.11 0.28 -0.09 -0.69 0.00 0.00 0.00 175.10 174.49 1n6l s VAL 99 N 1.25 3.50 0.36 2.92 1.01 0.32 -0.84 120.40 128.92 1n6l s VAL 99 Ca 0.14 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1n6l s VAL 99 Cb -0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1n6l s VAL 99 CO 0.07 0.59 0.11 -0.72 0.00 0.00 0.00 175.10 175.15 1n6l s TYR 100 N -0.73 1.80 -0.21 5.22 -0.85 -0.30 -4.06 117.35 118.22 1n6l s TYR 100 Ca 0.11 -1.19 -0.04 0.00 -0.52 0.00 0.00 57.07 55.44 1n6l s TYR 100 Cb -0.11 -1.14 -0.01 0.00 0.38 0.00 0.00 41.96 41.07 1n6l s TYR 100 CO 0.01 -0.23 -0.04 0.34 -1.52 0.00 0.00 175.55 174.12 1n6l s ASP 101 N -3.52 4.41 0.14 -0.18 3.68 -1.26 -0.66 116.67 119.28 1n6l s ASP 101 Ca 0.30 -0.34 0.13 0.00 2.13 0.00 0.00 52.55 54.77 1n6l s ASP 101 Cb 0.05 -1.75 0.63 0.00 -1.45 0.00 0.00 42.92 40.40 1n6l s ASP 101 CO 0.15 0.01 1.41 2.30 0.13 0.00 0.00 175.17 179.16 1n6l n ILE 102 N 4.62 1.32 0.77 4.11 -5.35 -0.39 -1.10 119.36 123.35 1n6l n ILE 102 Ca -0.18 0.47 0.10 0.00 -0.27 0.00 0.00 62.75 62.88 1n6l n ILE 102 Cb 0.51 -1.41 0.29 0.00 -1.74 0.00 0.00 39.64 37.29 1n6l n ILE 102 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1n6l n THR 103 N -1.85 0.39 -3.55 7.28 -2.24 -1.26 -0.24 114.28 112.81 1n6l n THR 103 Ca 0.01 -0.54 -0.29 0.00 -2.27 0.00 0.00 64.05 60.96 1n6l n THR 103 Cb 0.08 0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 68.75 1n6l n THR 103 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1n6l s ASN 104 N -1.44 3.54 0.32 3.42 3.84 -0.26 -4.45 114.94 119.91 1n6l s ASN 104 Ca 0.34 -1.29 0.01 0.00 0.21 0.00 0.00 52.86 52.13 1n6l s ASN 104 Cb 0.19 -0.37 0.57 0.00 -0.55 0.00 0.00 41.25 41.09 1n6l s ASN 104 CO 0.27 -0.44 1.94 -0.08 -2.79 0.00 0.00 177.10 176.00 1n6l h GLU 105 N 8.40 0.95 -0.47 0.43 4.81 -1.82 -1.73 114.58 125.15 1n6l h GLU 105 Ca -0.20 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1n6l h GLU 105 Cb 1.01 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1n6l h GLU 105 CO 0.44 0.63 0.22 1.49 -0.73 0.00 0.00 179.01 181.06 1n6l h GLU 106 N 0.98 0.66 -0.08 1.92 4.22 -1.95 -0.52 114.58 119.80 1n6l h GLU 106 Ca 0.35 -0.08 -0.08 0.00 0.08 0.00 0.00 59.36 59.63 1n6l h GLU 106 Cb 0.14 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1n6l h GLU 106 CO -0.12 0.52 -0.33 0.66 -2.18 0.00 0.00 179.01 177.56 1n6l h SER 107 N 0.66 0.16 -0.26 1.04 4.64 -1.65 0.33 113.55 118.47 1n6l h SER 107 Ca 0.17 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 1n6l h SER 107 Cb 0.08 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1n6l h SER 107 CO -0.02 0.49 -0.20 0.15 -0.87 0.00 0.00 176.83 176.38 1n6l h PHE 108 N 0.14 0.71 -0.84 4.77 3.57 -1.02 -1.14 116.94 123.12 1n6l h PHE 108 Ca 0.02 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.29 1n6l h PHE 108 Cb 0.66 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 1n6l h PHE 108 CO 0.01 0.89 0.40 0.00 -2.23 0.00 0.00 178.31 177.38 1n6l h ALA 109 N 0.71 1.08 -0.61 2.41 0.00 -0.81 -1.72 119.26 120.32 1n6l h ALA 109 Ca 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1n6l h ALA 109 Cb 0.74 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1n6l h ALA 109 CO 0.05 0.65 0.23 -0.09 0.00 0.00 0.00 179.25 180.09 1n6l h ARG 110 N 1.19 0.90 -0.79 0.00 9.65 -0.73 -2.24 114.38 122.36 1n6l h ARG 110 Ca 0.29 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 58.98 1n6l h ARG 110 Cb 0.12 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 1n6l h ARG 110 CO -0.04 0.75 0.36 0.00 2.80 0.00 0.00 179.97 183.84 1n6l h ALA 111 N 1.36 1.14 -0.44 2.80 0.00 -0.42 -1.50 119.26 122.20 1n6l h ALA 111 Ca 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1n6l h ALA 111 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1n6l h ALA 111 CO -0.02 0.64 0.11 0.87 0.00 0.00 0.00 179.25 180.85 1n6l h LYS 112 N 1.14 0.67 -0.02 0.00 1.57 -0.76 -0.38 116.57 118.78 1n6l h LYS 112 Ca 0.27 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1n6l h LYS 112 Cb 0.15 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1n6l h LYS 112 CO -0.03 0.61 -0.62 -0.91 -0.57 0.00 0.00 179.45 177.93 1n6l h ASN 113 N 0.65 0.10 -0.53 0.86 2.35 -1.00 -1.32 115.58 116.69 1n6l h ASN 113 Ca 0.15 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 1n6l h ASN 113 Cb 0.25 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1n6l h ASN 113 CO -0.00 0.69 0.06 -0.50 -1.65 0.00 0.00 177.43 176.03 1n6l h TRP 114 N 0.07 0.96 -0.62 1.19 -0.00 -0.48 -1.71 115.95 115.37 1n6l h TRP 114 Ca -0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 58.89 58.74 1n6l h TRP 114 Cb 1.10 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 29.97 1n6l h TRP 114 CO 0.01 0.87 0.39 0.28 -0.00 0.00 0.00 178.44 179.99 1n6l h VAL 115 N 0.78 1.17 -0.62 1.49 2.07 -0.81 -0.90 116.25 119.43 1n6l h VAL 115 Ca 0.16 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1n6l h VAL 115 Cb 0.45 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1n6l h VAL 115 CO 0.02 0.17 0.37 0.11 0.02 0.00 0.00 177.57 178.26 1n6l h LYS 116 N 0.84 0.84 -0.68 1.57 1.57 -1.05 -0.13 116.57 119.53 1n6l h LYS 116 Ca 0.23 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1n6l h LYS 116 Cb -0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1n6l h LYS 116 CO -0.05 0.60 0.26 1.49 -0.57 0.00 0.00 179.45 181.18 1n6l h GLU 117 N 0.84 1.03 -0.44 3.15 4.81 -0.94 -1.56 114.58 121.46 1n6l h GLU 117 Ca 0.22 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1n6l h GLU 117 Cb -0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1n6l h GLU 117 CO -0.04 0.87 0.09 -0.07 -0.73 0.00 0.00 179.01 179.12 1n6l h LEU 118 N 0.97 0.69 -1.86 1.64 3.38 -0.76 0.15 115.31 119.51 1n6l h LEU 118 Ca 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1n6l h LEU 118 Cb 0.23 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1n6l h LEU 118 CO -0.02 0.76 -0.13 1.56 0.09 0.00 0.00 178.44 180.70 1n6l h GLN 119 N 0.59 0.00 0.00 1.13 4.20 -0.76 -0.58 115.11 119.69 1n6l h GLN 119 Ca 0.14 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.51 1n6l h GLN 119 Cb 0.36 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.08 1n6l h GLN 119 CO 0.01 0.13 -2.05 0.54 -0.67 0.00 0.00 178.83 176.79 1n6l n ARG 120 N -3.91 0.66 -0.00 1.46 1.74 -0.61 -4.73 116.66 111.27 1n6l n ARG 120 Ca -0.02 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1n6l n ARG 120 Cb 0.23 -1.66 -0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1n6l n ARG 120 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1n6l n GLN 121 N -2.94 5.84 -2.35 5.56 1.13 0.48 -5.05 117.38 120.05 1n6l n GLN 121 Ca -0.26 -0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.56 1n6l n GLN 121 Cb 1.10 -0.60 0.14 0.00 0.11 0.00 0.00 30.24 30.99 1n6l n GLN 121 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n6l n ALA 122 N -1.09 -0.30 -1.75 -1.58 0.00 -0.23 -4.93 120.51 110.63 1n6l n ALA 122 Ca 0.00 -1.88 -0.42 0.00 0.00 0.00 0.00 53.44 51.15 1n6l n ALA 122 Cb 0.01 0.20 -0.00 0.00 0.00 0.00 0.00 19.45 19.66 1n6l n ALA 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n6l n SER 123 N -3.18 3.55 0.20 0.00 7.64 -1.26 -4.86 113.62 115.70 1n6l n SER 123 Ca 0.16 1.21 0.16 0.00 1.01 0.00 0.00 58.87 61.42 1n6l n SER 123 Cb 0.58 -1.58 0.81 0.00 -1.01 0.00 0.00 64.21 63.01 1n6l n SER 123 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1n6l h PRO 124 N 3.16 0.00 -0.54 1.43 0.13 -1.93 -2.24 132.00 132.01 1n6l h PRO 124 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1n6l h PRO 124 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1n6l h PRO 124 CO 0.66 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.52 1n6l n ASN 125 N -3.93 4.67 -4.77 1.44 5.03 -1.26 -5.00 115.26 111.45 1n6l n ASN 125 Ca 0.01 -2.61 -0.41 0.00 0.87 0.00 0.00 54.58 52.44 1n6l n ASN 125 Cb 0.30 -0.57 -0.01 0.00 -1.02 0.00 0.00 39.78 38.49 1n6l n ASN 125 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1n6l s ILE 126 N -2.14 2.31 -0.22 2.41 2.07 -0.85 -4.97 121.20 119.81 1n6l s ILE 126 Ca 0.48 0.30 -0.18 0.00 -1.41 0.00 0.00 60.65 59.84 1n6l s ILE 126 Cb 0.33 -3.19 -0.03 0.00 0.13 0.00 0.00 42.46 39.70 1n6l s ILE 126 CO 0.19 0.07 0.52 -0.69 -1.91 0.00 0.00 174.94 173.12 1n6l s VAL 127 N -0.84 5.09 -0.15 4.00 1.01 -0.55 -4.96 120.40 124.00 1n6l s VAL 127 Ca 0.54 0.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.44 1n6l s VAL 127 Cb -0.44 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1n6l s VAL 127 CO 0.56 0.14 -0.12 -0.63 0.00 0.00 0.00 175.10 175.05 1n6l s ILE 128 N 1.91 3.08 0.18 2.22 1.01 -1.26 -1.02 121.20 127.33 1n6l s ILE 128 Ca 0.23 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.33 1n6l s ILE 128 Cb -0.15 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1n6l s ILE 128 CO 0.09 0.51 -0.06 0.00 0.00 0.00 0.00 174.94 175.48 1n6l s ALA 129 N 0.58 3.05 -0.15 9.38 0.00 0.16 -1.29 121.76 133.48 1n6l s ALA 129 Ca -0.07 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.45 1n6l s ALA 129 Cb -0.15 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.16 1n6l s ALA 129 CO 0.03 0.46 -0.15 -1.17 0.00 0.00 0.00 175.76 174.93 1n6l s LEU 130 N -2.92 1.78 -0.25 0.00 2.96 0.24 -0.67 118.68 119.82 1n6l s LEU 130 Ca 0.26 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 1n6l s LEU 130 Cb -0.09 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 1n6l s LEU 130 CO 0.17 -0.04 0.09 -0.55 -1.32 0.00 0.00 176.35 174.70 1n6l s SER 131 N 1.43 5.35 -0.87 3.68 0.15 -0.02 -2.06 113.70 121.35 1n6l s SER 131 Ca 0.05 -0.15 -0.18 0.00 0.70 0.00 0.00 55.95 56.37 1n6l s SER 131 Cb -0.13 -1.97 0.15 0.00 -1.71 0.00 0.00 66.02 62.36 1n6l s SER 131 CO -0.11 -0.02 1.00 -0.83 1.20 0.00 0.00 173.24 174.48 1n6l s GLY 132 N 1.55 2.09 0.72 9.45 0.00 -0.50 -1.14 107.32 119.49 1n6l s GLY 132 Ca 0.06 -2.85 -0.07 0.00 0.00 0.00 0.00 44.72 41.86 1n6l s GLY 132 CO 0.05 1.79 1.04 0.21 0.00 0.00 0.00 173.10 176.19 1n6l s ASN 133 N 3.26 4.76 -1.17 1.64 2.47 0.17 -0.96 114.94 125.11 1n6l s ASN 133 Ca 0.27 0.49 -0.04 0.00 0.42 0.00 0.00 52.86 54.00 1n6l s ASN 133 Cb -0.08 -1.11 0.00 0.00 -1.45 0.00 0.00 41.25 38.62 1n6l s ASN 133 CO -0.08 -1.64 0.57 0.29 -3.72 0.00 0.00 177.10 172.52 1n6l n LYS 134 N -2.97 -4.32 0.23 0.43 5.02 -0.80 -1.26 118.16 114.49 1n6l n LYS 134 Ca 0.08 0.69 0.16 0.00 -2.02 0.00 0.00 58.31 57.22 1n6l n LYS 134 Cb 0.61 -5.13 0.81 0.00 -0.02 0.00 0.00 35.03 31.29 1n6l n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n6l h ALA 135 N 0.78 1.00 0.00 7.82 0.00 -1.21 -0.11 119.26 127.53 1n6l h ALA 135 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1n6l h ALA 135 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1n6l h ALA 135 CO 0.44 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 1n6l n ASP 136 N -2.64 0.63 -2.22 0.00 5.75 -1.26 -2.62 116.55 114.19 1n6l n ASP 136 Ca -0.01 0.66 -0.28 0.00 -0.01 0.00 0.00 54.79 55.15 1n6l n ASP 136 Cb 0.11 -0.79 0.13 0.00 -1.03 0.00 0.00 41.12 39.53 1n6l n ASP 136 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1n6l n LEU 137 N -2.21 7.04 0.28 -2.12 4.77 -0.05 -4.64 117.00 120.07 1n6l n LEU 137 Ca 0.02 -3.82 0.19 0.00 -0.03 0.00 0.00 56.01 52.37 1n6l n LEU 137 Cb 0.22 -0.90 0.95 0.00 -2.33 0.00 0.00 43.42 41.36 1n6l n LEU 137 CO 0.19 1.22 1.06 0.00 -1.33 0.00 0.00 177.39 178.53 1n6l h ALA 138 N 1.47 1.00 0.00 -1.18 0.00 -1.69 0.18 119.26 119.04 1n6l h ALA 138 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1n6l h ALA 138 Cb 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1n6l h ALA 138 CO 1.27 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.79 1n6l n ASN 139 N -2.84 0.00 -0.27 0.00 6.94 -1.26 -1.97 115.26 115.85 1n6l n ASN 139 Ca -0.02 0.34 0.07 0.00 -0.02 0.00 0.00 54.58 54.95 1n6l n ASN 139 Cb 0.11 -0.42 0.12 0.00 -2.36 0.00 0.00 39.78 37.23 1n6l n ASN 139 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1n6l n LYS 140 N -1.42 1.01 -1.62 -3.83 5.02 0.05 -5.09 118.16 112.28 1n6l n LYS 140 Ca 0.05 -2.33 -0.45 0.00 -2.02 0.00 0.00 58.31 53.56 1n6l n LYS 140 Cb 0.15 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 1n6l n LYS 140 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1n6l n ARG 141 N -1.04 1.60 0.00 1.97 0.63 -0.83 -4.45 116.66 114.54 1n6l n ARG 141 Ca 0.13 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 1n6l n ARG 141 Cb 0.68 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.55 1n6l n ARG 141 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1n6l n ALA 142 N 0.67 1.27 -4.06 5.13 0.00 0.67 -4.93 120.51 119.26 1n6l n ALA 142 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 1n6l n ALA 142 Cb 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.61 1n6l n ALA 142 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n6l s VAL 143 N -0.83 1.90 0.19 0.00 1.01 -0.63 -4.62 120.40 117.42 1n6l s VAL 143 Ca 0.00 -1.09 -0.32 0.00 0.00 0.00 0.00 61.98 60.57 1n6l s VAL 143 Cb 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 36.38 34.40 1n6l s VAL 143 CO 0.00 0.28 1.61 -0.62 0.00 0.00 0.00 175.10 176.37 1n6l s ASP 144 N 1.30 6.52 0.14 3.32 -1.08 -1.26 -4.92 116.67 120.69 1n6l s ASP 144 Ca -0.00 2.71 -0.18 0.00 -0.52 0.00 0.00 52.55 54.56 1n6l s ASP 144 Cb -0.16 -2.60 0.03 0.00 -1.46 0.00 0.00 42.92 38.73 1n6l s ASP 144 CO -0.09 -0.87 1.73 0.15 0.52 0.00 0.00 175.17 176.62 1n6l h PHE 145 N 6.62 0.11 -0.41 -5.34 3.57 -1.99 -1.88 116.94 117.63 1n6l h PHE 145 Ca -0.43 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 1n6l h PHE 145 Cb 1.20 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1n6l h PHE 145 CO 0.64 0.03 0.02 0.37 -2.23 0.00 0.00 178.31 177.14 1n6l h GLN 146 N 0.18 0.64 -0.56 1.11 5.75 -1.99 0.13 115.11 120.37 1n6l h GLN 146 Ca 0.14 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1n6l h GLN 146 Cb 0.14 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1n6l h GLN 146 CO -0.18 0.64 0.11 1.49 -2.65 0.00 0.00 178.83 178.25 1n6l h GLU 147 N 0.61 0.91 -0.47 1.69 4.81 -1.86 -0.12 114.58 120.16 1n6l h GLU 147 Ca 0.13 -0.23 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 1n6l h GLU 147 Cb 0.35 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1n6l h GLU 147 CO 0.01 0.86 -0.22 0.00 -0.73 0.00 0.00 179.01 178.94 1n6l h ALA 148 N 1.01 0.72 -0.61 2.92 0.00 -0.89 -1.14 119.26 121.27 1n6l h ALA 148 Ca 0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1n6l h ALA 148 Cb 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1n6l h ALA 148 CO 0.01 0.67 0.30 0.37 0.00 0.00 0.00 179.25 180.60 1n6l h GLN 149 N 0.83 0.87 -0.57 0.00 5.75 -0.71 -0.16 115.11 121.12 1n6l h GLN 149 Ca 0.11 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1n6l h GLN 149 Cb 0.79 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 1n6l h GLN 149 CO 0.07 0.70 0.22 0.77 -2.65 0.00 0.00 178.83 177.93 1n6l h SER 150 N 0.83 0.79 -0.39 -0.69 0.02 -0.81 0.95 113.55 114.25 1n6l h SER 150 Ca 0.21 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1n6l h SER 150 Cb 0.10 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1n6l h SER 150 CO -0.03 0.75 0.23 0.22 -1.14 0.00 0.00 176.83 176.86 1n6l h TYR 151 N 0.78 0.52 -0.54 3.45 3.20 -0.94 -0.96 116.97 122.49 1n6l h TYR 151 Ca 0.19 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1n6l h TYR 151 Cb 0.21 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1n6l h TYR 151 CO 0.01 0.38 0.21 0.00 -1.64 0.00 0.00 178.16 177.12 1n6l h ALA 152 N 1.10 0.70 -0.51 1.82 0.00 -0.69 -2.15 119.26 119.53 1n6l h ALA 152 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1n6l h ALA 152 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1n6l h ALA 152 CO -0.03 0.32 0.25 -0.44 0.00 0.00 0.00 179.25 179.35 1n6l h ASP 153 N 0.73 0.65 0.40 0.00 3.32 -0.57 -0.47 116.42 120.48 1n6l h ASP 153 Ca 0.18 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1n6l h ASP 153 Cb 0.20 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1n6l h ASP 153 CO -0.01 0.58 -0.17 0.44 -1.72 0.00 0.00 179.24 178.36 1n6l h ASP 154 N 0.67 0.00 -0.43 6.45 3.32 -1.02 -2.93 116.42 122.47 1n6l h ASP 154 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1n6l h ASP 154 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1n6l h ASP 154 CO -0.02 0.17 0.00 0.59 -1.72 0.00 0.00 179.24 178.25 1n6l n ASN 155 N -3.75 3.73 -3.61 6.45 4.13 -0.82 -4.99 115.26 116.39 1n6l n ASN 155 Ca -0.02 -2.37 -0.20 0.00 1.68 0.00 0.00 54.58 53.68 1n6l n ASN 155 Cb 0.28 -0.42 0.05 0.00 -1.54 0.00 0.00 39.78 38.15 1n6l n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1n6l n SER 156 N 0.50 -1.43 -4.45 6.41 7.64 -0.47 -5.01 113.62 116.81 1n6l n SER 156 Ca 0.19 -0.75 -0.31 0.00 1.01 0.00 0.00 58.87 59.00 1n6l n SER 156 Cb 0.68 -4.41 -0.13 0.00 -1.01 0.00 0.00 64.21 59.34 1n6l n SER 156 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n6l s LEU 157 N -6.57 2.58 -0.55 -3.43 1.43 -0.31 -4.69 118.68 107.13 1n6l s LEU 157 Ca 0.00 -0.42 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1n6l s LEU 157 Cb -0.00 -1.50 0.05 0.00 0.03 0.00 0.00 46.19 44.76 1n6l s LEU 157 CO 0.78 0.26 0.91 -0.22 0.23 0.00 0.00 176.35 178.31 1n6l s LEU 158 N -1.36 4.23 -0.14 1.79 2.96 -0.41 -4.46 118.68 121.29 1n6l s LEU 158 Ca 0.14 -0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1n6l s LEU 158 Cb -0.10 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 1n6l s LEU 158 CO 0.05 -1.21 0.11 0.12 -1.32 0.00 0.00 176.35 174.10 1n6l s PHE 159 N 3.80 3.44 -0.10 5.38 5.36 -1.26 -0.59 117.98 134.01 1n6l s PHE 159 Ca 0.28 0.37 -0.16 0.00 -0.96 0.00 0.00 56.93 56.46 1n6l s PHE 159 Cb -0.14 -1.99 0.04 0.00 -0.34 0.00 0.00 43.02 40.59 1n6l s PHE 159 CO 0.18 0.52 0.40 -1.64 -1.46 0.00 0.00 175.22 173.21 1n6l s MET 160 N -0.51 0.58 0.18 10.12 -1.94 -0.87 -4.97 119.30 121.89 1n6l s MET 160 Ca 0.11 0.31 -0.20 0.00 -1.71 0.00 0.00 55.69 54.21 1n6l s MET 160 Cb -0.12 0.27 -0.08 0.00 2.01 0.00 0.00 34.83 36.92 1n6l s MET 160 CO 0.02 -0.11 0.69 -1.21 -0.01 0.00 0.00 175.02 174.39 1n6l s GLU 161 N -0.36 4.26 0.14 2.03 2.02 -1.26 -1.41 118.70 124.11 1n6l s GLU 161 Ca -0.05 0.84 0.01 0.00 0.02 0.00 0.00 54.97 55.79 1n6l s GLU 161 Cb -0.03 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 1n6l s GLU 161 CO 0.02 0.46 0.00 0.95 0.02 0.00 0.00 175.26 176.72 1n6l s THR 162 N -1.40 0.50 -0.20 3.63 -4.23 -0.13 -4.64 115.64 109.16 1n6l s THR 162 Ca 0.39 -1.94 -0.05 0.00 -1.18 0.00 0.00 61.69 58.92 1n6l s THR 162 Cb -0.18 -1.98 0.07 0.00 1.34 0.00 0.00 72.50 71.75 1n6l s THR 162 CO 0.21 -0.58 0.09 -0.55 -0.54 0.00 0.00 174.62 173.26 1n6l s SER 163 N -3.10 2.68 0.40 3.99 0.15 -0.40 -0.94 113.70 116.49 1n6l s SER 163 Ca 0.21 -0.80 0.11 0.00 0.70 0.00 0.00 55.95 56.17 1n6l s SER 163 Cb 0.06 -0.31 0.83 0.00 -1.71 0.00 0.00 66.02 64.89 1n6l s SER 163 CO 0.01 -0.37 1.92 0.00 1.20 0.00 0.00 173.24 176.00 1n6l h ALA 164 N 8.40 1.54 -0.49 5.45 0.00 -1.89 0.27 119.26 132.53 1n6l h ALA 164 Ca -0.16 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1n6l h ALA 164 Cb 1.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1n6l h ALA 164 CO 0.33 0.33 0.01 -0.22 0.00 0.00 0.00 179.25 179.71 1n6l h LYS 165 N 0.15 0.87 0.00 0.00 3.64 -1.93 -3.30 116.57 115.99 1n6l h LYS 165 Ca 0.03 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1n6l h LYS 165 Cb 0.39 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1n6l h LYS 165 CO 0.03 0.90 -1.91 0.25 -2.27 0.00 0.00 179.45 176.44 1n6l n THR 166 N -4.34 0.01 -0.08 1.00 -2.24 -1.15 -4.97 114.28 102.52 1n6l n THR 166 Ca 0.01 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1n6l n THR 166 Cb 0.31 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1n6l n THR 166 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n6l n SER 167 N -2.21 0.00 -4.69 3.42 3.41 0.90 -5.04 113.62 109.41 1n6l n SER 167 Ca -0.03 0.00 -0.55 0.00 -0.26 0.00 0.00 58.87 58.03 1n6l n SER 167 Cb 0.55 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 1n6l n SER 167 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1n6l n MET 168 N -2.00 1.41 -1.08 4.33 0.00 -0.97 -1.48 117.12 117.34 1n6l n MET 168 Ca 0.00 0.52 -0.05 0.00 0.00 0.00 0.00 57.70 58.17 1n6l n MET 168 Cb 0.00 -2.24 -0.02 0.00 0.00 0.00 0.00 33.22 30.96 1n6l n MET 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1n6l n ASN 169 N 5.29 -5.33 0.08 6.12 3.02 -1.26 -1.27 115.26 121.91 1n6l n ASN 169 Ca 0.24 0.13 -0.11 0.00 -0.03 0.00 0.00 54.58 54.81 1n6l n ASN 169 Cb 0.18 -3.56 -0.07 0.00 -0.61 0.00 0.00 39.78 35.72 1n6l n ASN 169 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1n6l h VAL 170 N 0.00 0.71 -0.51 2.41 2.07 -1.56 -1.33 116.25 118.04 1n6l h VAL 170 Ca -0.10 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 1n6l h VAL 170 Cb 1.00 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1n6l h VAL 170 CO 0.15 0.18 0.19 -1.13 0.02 0.00 0.00 177.57 176.98 1n6l h ASN 171 N -0.88 0.67 -0.75 0.57 -0.73 -1.90 -2.95 115.58 109.61 1n6l h ASN 171 Ca -0.03 -0.08 0.01 0.00 1.87 0.00 0.00 56.30 58.07 1n6l h ASN 171 Cb 0.51 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.89 1n6l h ASN 171 CO 0.05 0.62 0.50 -0.33 -0.37 0.00 0.00 177.43 177.89 1n6l h GLU 172 N 0.73 0.99 -0.39 6.67 3.07 -1.90 -0.42 114.58 123.33 1n6l h GLU 172 Ca 0.17 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.82 1n6l h GLU 172 Cb 0.17 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1n6l h GLU 172 CO -0.01 0.65 -0.37 0.97 -1.40 0.00 0.00 179.01 178.85 1n6l h ILE 173 N 1.02 1.27 -0.48 3.13 2.10 -1.07 -0.38 117.51 123.11 1n6l h ILE 173 Ca 0.28 -1.55 -0.09 0.00 1.08 0.00 0.00 64.86 64.58 1n6l h ILE 173 Cb -0.11 1.36 -0.02 0.00 -1.09 0.00 0.00 36.82 36.96 1n6l h ILE 173 CO -0.06 0.52 -0.05 -0.26 -1.08 0.00 0.00 178.15 177.22 1n6l h PHE 174 N 0.76 0.96 -0.40 2.19 0.04 -1.41 -2.42 116.94 116.67 1n6l h PHE 174 Ca 0.07 -0.18 -0.12 0.00 2.80 0.00 0.00 57.97 60.53 1n6l h PHE 174 Cb 0.96 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 1n6l h PHE 174 CO 0.06 0.93 -0.22 0.52 -0.60 0.00 0.00 178.31 179.00 1n6l h MET 175 N 0.72 0.80 -0.53 1.51 2.86 -1.00 -2.18 114.93 117.11 1n6l h MET 175 Ca 0.13 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 1n6l h MET 175 Cb 0.57 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1n6l h MET 175 CO 0.03 0.95 0.17 0.00 1.06 0.00 0.00 176.91 179.12 1n6l h ALA 176 N 1.05 1.30 -0.15 6.32 0.00 -0.93 -0.78 119.26 126.08 1n6l h ALA 176 Ca 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1n6l h ALA 176 Cb 0.74 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1n6l h ALA 176 CO 0.06 0.50 0.02 0.82 0.00 0.00 0.00 179.25 180.65 1n6l h ILE 177 N 0.77 1.22 -0.88 0.00 2.04 -1.20 -2.84 117.51 116.61 1n6l h ILE 177 Ca 0.18 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.36 1n6l h ILE 177 Cb 0.22 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1n6l h ILE 177 CO -0.01 0.21 0.58 0.00 0.00 0.00 0.00 178.15 178.93 1n6l h ALA 178 N 0.80 1.48 0.00 1.87 0.00 -0.89 -1.47 119.26 121.04 1n6l h ALA 178 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1n6l h ALA 178 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1n6l h ALA 178 CO 0.00 0.42 -0.17 0.87 0.00 0.00 0.00 179.25 180.37 1n6l h LYS 179 N 1.06 0.00 -0.01 0.00 1.57 -1.01 -2.73 116.57 115.46 1n6l h LYS 179 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1n6l h LYS 179 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1n6l h LYS 179 CO -0.12 0.17 -0.20 1.63 -0.57 0.00 0.00 179.45 180.36 1n6l n LYS 180 N -3.93 1.06 -2.88 3.15 4.76 -0.58 -4.88 118.16 114.87 1n6l n LYS 180 Ca -0.02 -0.63 -0.34 0.00 -2.87 0.00 0.00 58.31 54.45 1n6l n LYS 180 Cb 0.26 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 31.90 1n6l n LYS 180 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1n6l s LEU 181 N -2.38 4.03 0.00 -0.35 1.43 -1.03 -5.05 118.68 115.33 1n6l s LEU 181 Ca 0.27 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1n6l s LEU 181 Cb 0.20 -4.36 0.00 0.00 0.03 0.00 0.00 46.19 42.06 1n6l s LEU 181 CO 0.48 -0.28 0.25 -2.65 0.23 0.00 0.00 176.35 174.38