#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n6i n ASN 16 N 0.00 2.30 -4.79 1.61 6.94 -1.25 -4.78 115.26 115.29 1n6i n ASN 16 Ca 0.00 -1.64 -0.35 0.00 -0.02 0.00 0.00 54.58 52.57 1n6i n ASN 16 Cb 0.00 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.36 1n6i n ASN 16 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1n6i s LYS 17 N -1.17 3.88 -0.03 -3.83 1.02 -1.23 -4.93 119.74 113.45 1n6i s LYS 17 Ca 0.18 1.50 0.02 0.00 0.02 0.00 0.00 55.97 57.69 1n6i s LYS 17 Cb 0.12 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.15 1n6i s LYS 17 CO 0.18 -0.39 -0.08 0.42 -0.92 0.00 0.00 175.35 174.57 1n6i s ILE 18 N -1.78 0.68 0.05 2.17 1.01 -1.26 -0.76 121.20 121.31 1n6i s ILE 18 Ca 0.64 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 61.04 1n6i s ILE 18 Cb -0.21 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 1n6i s ILE 18 CO 0.25 0.23 -0.11 0.00 0.00 0.00 0.00 174.94 175.31 1n6i s GLN 20 N -1.40 0.63 0.04 0.00 0.74 -1.26 -0.73 119.66 117.69 1n6i s GLN 20 Ca -0.04 -0.13 -0.00 0.00 0.05 0.00 0.00 55.36 55.24 1n6i s GLN 20 Cb -0.09 -0.65 -0.03 0.00 1.10 0.00 0.00 33.01 33.34 1n6i s GLN 20 CO 0.01 0.00 -0.03 -0.59 -0.55 0.00 0.00 175.29 174.13 1n6i s PHE 21 N 0.49 0.44 -0.23 1.67 -0.12 -0.68 -4.97 117.98 114.59 1n6i s PHE 21 Ca -0.06 -0.83 -0.14 0.00 -0.05 0.00 0.00 56.93 55.85 1n6i s PHE 21 Cb -0.10 -0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 41.93 1n6i s PHE 21 CO -0.00 -0.29 0.31 0.15 -0.05 0.00 0.00 175.22 175.34 1n6i s LYS 22 N -2.88 4.11 -0.02 1.99 1.02 -1.26 -1.46 119.74 121.24 1n6i s LYS 22 Ca -0.02 0.00 0.07 0.00 0.02 0.00 0.00 55.97 56.04 1n6i s LYS 22 Cb 0.00 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 1n6i s LYS 22 CO -0.06 -0.05 -0.23 -1.17 -0.92 0.00 0.00 175.35 172.93 1n6i s LEU 23 N 1.36 2.04 -0.01 3.17 0.20 0.46 -0.46 118.68 125.45 1n6i s LEU 23 Ca 0.14 -0.42 0.06 0.00 0.69 0.00 0.00 54.13 54.61 1n6i s LEU 23 Cb -0.15 -1.18 -0.02 0.00 -0.43 0.00 0.00 46.19 44.42 1n6i s LEU 23 CO 0.07 0.28 -0.20 0.54 -0.29 0.00 0.00 176.35 176.75 1n6i s VAL 24 N -0.51 1.57 -0.13 1.68 0.11 -0.71 -0.89 120.40 121.53 1n6i s VAL 24 Ca 0.08 -0.90 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1n6i s VAL 24 Cb -0.09 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 1n6i s VAL 24 CO -0.01 0.40 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.38 1n6i s LEU 25 N -0.58 3.39 0.09 2.54 1.43 0.02 -0.98 118.68 124.60 1n6i s LEU 25 Ca 0.08 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1n6i s LEU 25 Cb -0.08 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1n6i s LEU 25 CO -0.00 0.25 -0.12 -0.76 0.23 0.00 0.00 176.35 175.95 1n6i s LEU 26 N -0.13 2.37 0.00 1.79 1.43 -0.41 -3.17 118.68 120.57 1n6i s LEU 26 Ca 0.03 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1n6i s LEU 26 Cb -0.13 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.70 1n6i s LEU 26 CO 0.02 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.02 1n6i n GLY 27 N 0.75 3.78 3.62 -3.19 0.00 -1.26 -0.33 105.19 108.57 1n6i n GLY 27 Ca -0.17 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 1n6i n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n6i n GLU 28 N -1.48 0.51 -4.58 1.61 2.13 -1.26 -4.17 120.64 113.40 1n6i n GLU 28 Ca 0.00 0.23 -0.34 0.00 0.66 0.00 0.00 57.16 57.71 1n6i n GLU 28 Cb 0.00 -2.24 -0.12 0.00 0.27 0.00 0.00 31.44 29.35 1n6i n GLU 28 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1n6i s SER 29 N -1.66 4.64 -0.61 4.31 0.01 -1.25 -2.76 113.70 116.39 1n6i s SER 29 Ca 0.74 -0.07 -0.07 0.00 1.31 0.00 0.00 55.95 57.86 1n6i s SER 29 Cb -0.34 -1.36 0.16 0.00 0.21 0.00 0.00 66.02 64.68 1n6i s SER 29 CO 0.50 0.30 0.46 -2.16 0.41 0.00 0.00 173.24 172.75 1n6i s PRO 30 N -0.43 2.71 0.00 12.44 0.04 -1.26 -4.84 135.00 143.66 1n6i s PRO 30 Ca 0.06 -2.25 0.28 0.00 0.04 0.00 0.00 61.00 59.14 1n6i s PRO 30 Cb -0.12 -3.92 1.18 0.00 0.04 0.00 0.00 34.50 31.68 1n6i s PRO 30 CO 0.02 -1.20 1.82 1.33 0.04 0.00 0.00 177.00 179.01 1n6i n VAL 31 N 4.07 0.01 -0.14 -0.36 0.24 -1.11 -4.91 118.33 116.14 1n6i n VAL 31 Ca 0.04 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1n6i n VAL 31 Cb 0.41 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 1n6i n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n6i n GLY 32 N 1.14 1.08 0.20 7.63 0.00 -1.26 -4.55 105.19 109.43 1n6i n GLY 32 Ca 0.20 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1n6i n GLY 32 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1n6i h LYS 33 N 0.00 -0.36 -0.29 1.61 3.64 -1.90 -0.28 116.57 118.98 1n6i h LYS 33 Ca 0.00 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1n6i h LYS 33 Cb 0.02 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1n6i h LYS 33 CO 0.00 -0.24 -0.05 0.77 -2.27 0.00 0.00 179.45 177.66 1n6i h SER 34 N -0.37 0.43 -0.47 4.20 0.02 -1.95 -2.39 113.55 113.01 1n6i h SER 34 Ca -0.01 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 1n6i h SER 34 Cb 0.33 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1n6i h SER 34 CO -0.01 0.54 -0.14 0.28 -1.14 0.00 0.00 176.83 176.35 1n6i h SER 35 N 0.44 0.97 -0.25 3.07 0.02 -1.90 0.25 113.55 116.15 1n6i h SER 35 Ca 0.09 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1n6i h SER 35 Cb 0.36 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1n6i h SER 35 CO 0.02 1.10 0.16 0.25 -1.14 0.00 0.00 176.83 177.21 1n6i h LEU 36 N 0.85 0.26 -0.39 5.07 5.85 -0.57 -0.13 115.31 126.26 1n6i h LEU 36 Ca 0.13 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1n6i h LEU 36 Cb 0.69 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1n6i h LEU 36 CO 0.05 0.19 0.05 0.58 -0.34 0.00 0.00 178.44 178.97 1n6i h VAL 37 N 0.32 1.25 -0.85 1.05 2.07 -1.29 -2.34 116.25 116.45 1n6i h VAL 37 Ca 0.10 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1n6i h VAL 37 Cb -0.02 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1n6i h VAL 37 CO -0.03 0.30 0.53 0.25 0.02 0.00 0.00 177.57 178.64 1n6i h LEU 38 N 0.49 1.00 -0.33 2.57 5.85 -0.72 0.17 115.31 124.33 1n6i h LEU 38 Ca 0.12 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1n6i h LEU 38 Cb 0.39 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1n6i h LEU 38 CO 0.01 0.75 0.05 -0.09 -0.34 0.00 0.00 178.44 178.82 1n6i h ARG 39 N 1.16 0.55 -0.30 1.25 9.65 -0.82 -0.03 114.38 125.84 1n6i h ARG 39 Ca 0.31 -0.15 -0.05 0.00 -1.10 0.00 0.00 59.98 58.98 1n6i h ARG 39 Cb -0.08 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.42 1n6i h ARG 39 CO -0.06 0.64 -0.02 0.35 2.80 0.00 0.00 179.97 183.68 1n6i h PHE 40 N 0.38 0.60 0.12 2.20 3.57 -0.96 -0.36 116.94 122.50 1n6i h PHE 40 Ca 0.10 -0.11 -0.25 0.00 3.53 0.00 0.00 57.97 61.24 1n6i h PHE 40 Cb 0.36 -0.15 0.03 0.00 2.79 0.00 0.00 35.95 38.97 1n6i h PHE 40 CO 0.02 0.70 -1.04 0.28 -2.23 0.00 0.00 178.31 176.04 1n6i h VAL 41 N 0.33 1.37 0.00 1.41 2.07 -0.67 -3.39 116.25 117.37 1n6i h VAL 41 Ca 0.08 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1n6i h VAL 41 Cb 0.48 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1n6i h VAL 41 CO 0.02 0.72 0.00 0.29 0.02 0.00 0.00 177.57 178.62 1n6i n LYS 42 N -3.95 -0.35 -2.40 1.57 5.02 -0.07 -4.96 118.16 113.03 1n6i n LYS 42 Ca -0.13 -0.46 -0.20 0.00 -2.02 0.00 0.00 58.31 55.49 1n6i n LYS 42 Cb 0.90 -0.96 -0.01 0.00 -0.02 0.00 0.00 35.03 34.94 1n6i n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n6i n GLY 43 N 0.08 -0.47 3.53 0.72 0.00 -0.14 -4.97 105.19 103.94 1n6i n GLY 43 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1n6i n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n6i s GLN 44 N -5.03 1.89 -0.07 1.61 -0.21 -1.18 -4.95 119.66 111.72 1n6i s GLN 44 Ca 0.01 -1.67 -0.03 0.00 0.02 0.00 0.00 55.36 53.69 1n6i s GLN 44 Cb -0.00 -1.90 0.04 0.00 1.00 0.00 0.00 33.01 32.15 1n6i s GLN 44 CO 0.01 0.32 0.15 0.12 -2.12 0.00 0.00 175.29 173.77 1n6i s PHE 45 N -2.46 -0.16 -0.23 0.91 5.36 -1.26 -2.85 117.98 117.29 1n6i s PHE 45 Ca 0.31 0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 56.77 1n6i s PHE 45 Cb -0.05 -0.15 0.01 0.00 -0.34 0.00 0.00 43.02 42.49 1n6i s PHE 45 CO 0.17 -0.20 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.65 1n6i s HIS 46 N 1.57 2.98 0.51 10.12 3.76 -1.26 -4.96 115.29 128.00 1n6i s HIS 46 Ca -0.05 -1.28 0.17 0.00 -0.15 0.00 0.00 55.06 53.76 1n6i s HIS 46 Cb -0.12 -2.06 1.28 0.00 1.11 0.00 0.00 32.58 32.79 1n6i s HIS 46 CO -0.06 -0.66 2.13 1.49 -0.85 0.00 0.00 174.74 176.79 1n6i h GLU 47 N 8.05 0.00 -4.65 1.40 4.57 -2.02 -3.35 114.58 118.58 1n6i h GLU 47 Ca -0.39 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.12 1n6i h GLU 47 Cb 1.14 0.00 -0.37 0.00 -0.16 0.00 0.00 28.75 29.36 1n6i h GLU 47 CO 0.60 0.04 -0.67 -0.06 -1.18 0.00 0.00 179.01 177.74 1n6i s PHE 48 N -4.93 3.58 -0.11 0.92 0.40 -1.26 -5.08 117.98 111.49 1n6i s PHE 48 Ca -0.05 -2.55 0.01 0.00 -0.60 0.00 0.00 56.93 53.74 1n6i s PHE 48 Cb 0.17 -2.80 -0.02 0.00 0.51 0.00 0.00 43.02 40.88 1n6i s PHE 48 CO 0.66 -0.93 -0.14 -0.65 0.70 0.00 0.00 175.22 174.86 1n6i s GLN 49 N 1.06 3.17 0.24 0.44 -1.52 -1.26 -5.11 119.66 116.69 1n6i s GLN 49 Ca 0.05 -0.70 -0.30 0.00 -1.95 0.00 0.00 55.36 52.46 1n6i s GLN 49 Cb -0.21 -2.55 -0.09 0.00 -0.22 0.00 0.00 33.01 29.94 1n6i s GLN 49 CO -0.05 0.30 1.06 -1.21 -0.25 0.00 0.00 175.29 175.14 1n6i s GLU 50 N 0.11 4.68 0.34 2.91 0.41 -1.26 -4.97 118.70 120.93 1n6i s GLU 50 Ca -0.07 1.71 -0.28 0.00 -0.41 0.00 0.00 54.97 55.92 1n6i s GLU 50 Cb -0.15 -3.23 -0.12 0.00 -1.78 0.00 0.00 34.13 28.85 1n6i s GLU 50 CO 0.05 0.25 1.39 0.43 -0.49 0.00 0.00 175.26 176.89 1n6i n SER 51 N 1.57 3.19 -4.76 -0.19 7.64 -1.26 -4.92 113.62 114.88 1n6i n SER 51 Ca -0.00 1.20 -0.40 0.00 1.01 0.00 0.00 58.87 60.68 1n6i n SER 51 Cb 0.46 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.09 1n6i n SER 51 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1n6i s THR 52 N -0.93 3.04 -0.38 0.44 2.01 -1.26 -5.00 115.64 113.56 1n6i s THR 52 Ca 0.56 1.05 -0.08 0.00 0.31 0.00 0.00 61.69 63.53 1n6i s THR 52 Cb -0.54 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 68.36 1n6i s THR 52 CO 0.61 0.25 0.20 -0.63 -0.69 0.00 0.00 174.62 174.35 1n6i s ILE 53 N -1.15 4.09 0.00 1.82 1.01 -1.26 -4.71 121.20 121.00 1n6i s ILE 53 Ca 0.47 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1n6i s ILE 53 Cb -0.36 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1n6i s ILE 53 CO 0.48 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.67 1n6i n GLY 54 N 4.88 2.35 3.55 6.18 0.00 -1.26 -4.76 105.19 116.13 1n6i n GLY 54 Ca -0.11 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 1n6i n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6i s ALA 55 N -1.00 -1.94 0.07 4.61 0.00 -1.26 -0.88 121.76 121.36 1n6i s ALA 55 Ca 0.00 1.32 0.05 0.00 0.00 0.00 0.00 51.96 53.34 1n6i s ALA 55 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1n6i s ALA 55 CO 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 175.76 175.02 1n6i s ALA 56 N -2.57 1.17 -0.08 0.00 0.00 -0.17 -4.96 121.76 115.15 1n6i s ALA 56 Ca 0.06 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1n6i s ALA 56 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1n6i s ALA 56 CO -0.06 0.17 -0.21 0.12 0.00 0.00 0.00 175.76 175.78 1n6i s PHE 57 N -1.25 2.58 0.05 0.00 5.36 -1.26 -0.51 117.98 122.95 1n6i s PHE 57 Ca -0.02 -0.72 -0.02 0.00 -0.96 0.00 0.00 56.93 55.20 1n6i s PHE 57 Cb -0.10 -1.68 -0.03 0.00 -0.34 0.00 0.00 43.02 40.87 1n6i s PHE 57 CO 0.02 -0.22 0.01 -0.51 -1.46 0.00 0.00 175.22 173.06 1n6i s LEU 58 N 0.01 2.27 0.06 6.12 1.02 -0.32 -5.01 118.68 122.83 1n6i s LEU 58 Ca -0.07 -0.87 0.02 0.00 0.02 0.00 0.00 54.13 53.22 1n6i s LEU 58 Cb -0.15 0.34 -0.03 0.00 0.02 0.00 0.00 46.19 46.37 1n6i s LEU 58 CO 0.05 -0.59 -0.07 0.28 0.02 0.00 0.00 176.35 176.04 1n6i s THR 59 N -3.61 0.56 -0.09 5.49 -1.32 -1.26 -0.49 115.64 114.93 1n6i s THR 59 Ca 0.04 -1.34 -0.15 0.00 -1.21 0.00 0.00 61.69 59.03 1n6i s THR 59 Cb 0.05 -0.93 0.03 0.00 -1.51 0.00 0.00 72.50 70.15 1n6i s THR 59 CO -0.09 -0.54 0.38 -1.58 -2.21 0.00 0.00 174.62 170.58 1n6i s GLN 60 N -2.28 0.57 -0.09 7.08 2.00 -1.04 -4.92 119.66 120.98 1n6i s GLN 60 Ca -0.03 0.27 0.04 0.00 -2.00 0.00 0.00 55.36 53.63 1n6i s GLN 60 Cb -0.05 0.27 0.00 0.00 0.80 0.00 0.00 33.01 34.03 1n6i s GLN 60 CO -0.01 -0.12 -0.20 0.99 -0.50 0.00 0.00 175.29 175.45 1n6i s THR 61 N -0.42 1.77 0.31 -0.34 2.01 -1.26 -0.19 115.64 117.52 1n6i s THR 61 Ca -0.05 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.12 1n6i s THR 61 Cb -0.03 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1n6i s THR 61 CO 0.02 0.50 0.13 0.68 -0.69 0.00 0.00 174.62 175.26 1n6i s VAL 62 N 0.42 0.51 -0.23 3.82 -7.23 0.26 -4.98 120.40 112.98 1n6i s VAL 62 Ca -0.17 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 57.93 1n6i s VAL 62 Cb -0.17 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1n6i s VAL 62 CO 0.07 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 174.92 1n6i s LEU 64 N 1.22 3.59 0.00 0.00 2.96 0.31 -4.98 118.68 121.79 1n6i s LEU 64 Ca 0.04 -2.29 0.00 0.00 -0.22 0.00 0.00 54.13 51.67 1n6i s LEU 64 Cb -0.14 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 45.24 1n6i s LEU 64 CO 0.03 -0.34 0.00 0.47 -1.32 0.00 0.00 176.35 175.19 1n6i n ASP 65 N 4.04 0.00 -1.09 3.68 8.00 -1.26 -0.87 116.55 129.05 1n6i n ASP 65 Ca 0.04 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.61 1n6i n ASP 65 Cb 0.38 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.75 1n6i n ASP 65 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1n6i n ASP 66 N 10.81 4.02 -4.21 -2.24 5.75 -1.26 -4.54 116.55 124.87 1n6i n ASP 66 Ca 0.00 -2.59 -0.26 0.00 -0.01 0.00 0.00 54.79 51.93 1n6i n ASP 66 Cb 0.00 -0.48 -0.15 0.00 -1.03 0.00 0.00 41.12 39.46 1n6i n ASP 66 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1n6i s THR 67 N -2.08 1.58 -0.35 2.12 2.01 -0.04 -3.52 115.64 115.35 1n6i s THR 67 Ca 0.41 -0.92 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 1n6i s THR 67 Cb 0.29 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 1n6i s THR 67 CO 0.15 0.39 0.42 -0.89 -0.69 0.00 0.00 174.62 174.01 1n6i s THR 68 N -0.54 5.11 -0.21 -0.82 2.01 0.06 -0.53 115.64 120.72 1n6i s THR 68 Ca 0.08 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 1n6i s THR 68 Cb -0.08 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1n6i s THR 68 CO -0.00 -0.17 0.00 -0.69 -0.69 0.00 0.00 174.62 173.07 1n6i s VAL 69 N 2.17 3.92 -0.20 3.82 1.01 -0.27 -0.58 120.40 130.26 1n6i s VAL 69 Ca 0.14 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 1n6i s VAL 69 Cb -0.16 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1n6i s VAL 69 CO 0.12 0.42 0.04 -0.75 0.00 0.00 0.00 175.10 174.93 1n6i s LYS 70 N 1.15 3.78 -0.21 2.72 2.20 0.09 -0.57 119.74 128.90 1n6i s LYS 70 Ca 0.03 -0.44 -0.10 0.00 -0.36 0.00 0.00 55.97 55.10 1n6i s LYS 70 Cb -0.14 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1n6i s LYS 70 CO 0.01 0.09 0.13 -0.06 -0.36 0.00 0.00 175.35 175.17 1n6i s PHE 71 N 0.83 3.35 -0.31 4.03 2.99 0.74 -1.68 117.98 127.92 1n6i s PHE 71 Ca 0.02 0.24 -0.09 0.00 0.00 0.00 0.00 56.93 57.10 1n6i s PHE 71 Cb -0.14 -2.19 0.00 0.00 0.00 0.00 0.00 43.02 40.70 1n6i s PHE 71 CO 0.02 0.18 0.13 -1.21 -0.00 0.00 0.00 175.22 174.34 1n6i s GLU 72 N 0.63 3.21 -0.19 0.44 2.02 -0.53 -2.49 118.70 121.79 1n6i s GLU 72 Ca 0.07 -0.80 -0.01 0.00 0.02 0.00 0.00 54.97 54.26 1n6i s GLU 72 Cb -0.12 -3.50 0.01 0.00 0.10 0.00 0.00 34.13 30.61 1n6i s GLU 72 CO 0.01 -0.45 -0.13 0.42 0.02 0.00 0.00 175.26 175.13 1n6i s ILE 73 N 1.57 2.65 -0.35 -1.63 1.01 0.36 -0.40 121.20 124.41 1n6i s ILE 73 Ca 0.04 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 1n6i s ILE 73 Cb -0.17 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1n6i s ILE 73 CO 0.05 0.49 0.27 0.26 0.00 0.00 0.00 174.94 176.01 1n6i s TRP 74 N 1.24 3.23 -0.61 3.97 0.52 -0.07 -1.18 118.94 126.05 1n6i s TRP 74 Ca 0.03 -0.20 -0.17 0.00 0.02 0.00 0.00 56.10 55.78 1n6i s TRP 74 Cb -0.14 -2.52 0.13 0.00 -1.15 0.00 0.00 33.47 29.79 1n6i s TRP 74 CO -0.07 -0.39 0.63 0.34 0.02 0.00 0.00 176.95 177.48 1n6i s ASP 75 N 1.72 6.27 0.43 2.95 2.15 0.33 -0.80 116.67 129.72 1n6i s ASP 75 Ca 0.07 -1.78 -0.19 0.00 0.43 0.00 0.00 52.55 51.08 1n6i s ASP 75 Cb -0.17 -2.25 -0.10 0.00 -0.30 0.00 0.00 42.92 40.09 1n6i s ASP 75 CO 0.11 -0.93 0.92 0.42 -0.17 0.00 0.00 175.17 175.53 1n6i s THR 76 N 1.86 4.45 0.13 1.71 -4.23 -1.19 -1.00 115.64 117.37 1n6i s THR 76 Ca 0.09 1.37 -0.30 0.00 -1.18 0.00 0.00 61.69 61.67 1n6i s THR 76 Cb -0.25 -3.62 -0.07 0.00 1.34 0.00 0.00 72.50 69.91 1n6i s THR 76 CO 0.02 -0.36 1.08 0.00 -0.54 0.00 0.00 174.62 174.83 1n6i s ALA 77 N -2.22 3.33 -1.20 3.99 0.00 -0.06 -4.91 121.76 120.70 1n6i s ALA 77 Ca 0.60 0.76 0.26 0.00 0.00 0.00 0.00 51.96 53.58 1n6i s ALA 77 Cb -0.09 -3.35 0.63 0.00 0.00 0.00 0.00 23.12 20.30 1n6i s ALA 77 CO 0.16 -0.21 1.49 0.41 0.00 0.00 0.00 175.76 177.61 1n6i n GLY 78 N 2.35 -1.11 3.70 0.00 0.00 -1.26 -4.82 105.19 104.05 1n6i n GLY 78 Ca 0.04 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1n6i n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n6i n GLN 79 N -1.29 1.52 0.14 1.61 3.00 -1.26 -3.96 117.38 117.14 1n6i n GLN 79 Ca 0.07 0.56 0.15 0.00 -0.01 0.00 0.00 57.00 57.77 1n6i n GLN 79 Cb 0.34 -2.42 0.69 0.00 0.00 0.00 0.00 30.24 28.84 1n6i n GLN 79 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1n6i h GLU 80 N 1.30 0.00 0.00 -1.09 4.57 -1.97 -0.74 114.58 116.65 1n6i h GLU 80 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1n6i h GLU 80 Cb 1.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1n6i h GLU 80 CO 0.56 0.00 0.00 2.89 -1.18 0.00 0.00 179.01 181.28 1n6i n ARG 81 N -4.37 0.00 0.00 1.92 1.85 -1.26 -1.45 116.66 113.35 1n6i n ARG 81 Ca 0.03 0.32 0.09 0.00 -1.00 0.00 0.00 57.85 57.29 1n6i n ARG 81 Cb 0.35 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.31 1n6i n ARG 81 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1n6i n TYR 82 N -1.49 0.00 -0.26 2.89 4.02 -0.29 -4.57 117.16 117.46 1n6i n TYR 82 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.96 1n6i n TYR 82 Cb 0.12 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.61 1n6i n TYR 82 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1n6i h HIS 83 N 3.18 0.60 0.00 -0.72 2.76 -1.29 -0.97 115.15 118.70 1n6i h HIS 83 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1n6i h HIS 83 Cb 0.72 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.53 1n6i h HIS 83 CO 0.00 0.15 0.00 0.66 -1.30 0.00 0.00 177.93 177.44 1n6i h SER 84 N 0.53 0.00 0.70 3.26 4.64 -1.81 -1.71 113.55 119.17 1n6i h SER 84 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1n6i h SER 84 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1n6i h SER 84 CO -0.34 0.00 -0.79 0.18 -0.87 0.00 0.00 176.83 175.01 1n6i n LEU 85 N -2.36 0.66 -0.32 5.97 4.77 -0.37 -4.45 117.00 120.90 1n6i n LEU 85 Ca -0.00 0.14 0.12 0.00 -0.03 0.00 0.00 56.01 56.23 1n6i n LEU 85 Cb 0.11 -0.15 0.29 0.00 -2.33 0.00 0.00 43.42 41.34 1n6i n LEU 85 CO 0.14 -0.02 1.13 0.00 -1.33 0.00 0.00 177.39 177.31 1n6i h ALA 86 N 2.51 1.51 0.00 -1.18 0.00 -1.27 -0.67 119.26 120.16 1n6i h ALA 86 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1n6i h ALA 86 Cb 0.74 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1n6i h ALA 86 CO 0.00 -0.14 -0.01 -1.35 0.00 0.00 0.00 179.25 177.75 1n6i h PRO 87 N 0.63 0.00 0.00 0.00 0.11 -1.79 -0.19 132.00 130.75 1n6i h PRO 87 Ca 0.54 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.64 1n6i h PRO 87 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1n6i h PRO 87 CO -0.41 0.01 -0.07 0.52 -0.21 0.00 0.00 178.00 177.83 1n6i h MET 88 N 0.00 0.00 0.00 1.05 2.86 -1.42 -0.74 114.93 116.68 1n6i h MET 88 Ca -0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 1n6i h MET 88 Cb 0.03 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 1n6i h MET 88 CO 0.00 0.07 -2.18 0.66 1.06 0.00 0.00 176.91 176.52 1n6i n TYR 89 N -4.42 0.19 0.48 -0.22 4.02 -0.21 -4.50 117.16 112.49 1n6i n TYR 89 Ca -0.03 0.07 0.11 0.00 -0.01 0.00 0.00 57.90 58.04 1n6i n TYR 89 Cb 0.15 -0.95 -0.07 0.00 -0.02 0.00 0.00 39.34 38.44 1n6i n TYR 89 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 1n6i n TYR 90 N -2.72 0.14 -0.19 -0.72 0.18 -0.48 -4.32 117.16 109.05 1n6i n TYR 90 Ca -0.25 0.04 -0.01 0.00 1.88 0.00 0.00 57.90 59.56 1n6i n TYR 90 Cb 1.04 -0.37 0.09 0.00 -0.38 0.00 0.00 39.34 39.72 1n6i n TYR 90 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 1n6i h ARG 91 N 0.00 0.40 -0.66 -3.48 2.43 -1.36 -1.85 114.38 109.86 1n6i h ARG 91 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1n6i h ARG 91 Cb 0.77 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1n6i h ARG 91 CO 0.00 0.27 0.00 0.41 -1.51 0.00 0.00 179.97 179.14 1n6i n GLY 92 N -1.28 2.61 3.76 2.80 0.00 -1.26 -4.44 105.19 107.38 1n6i n GLY 92 Ca 0.07 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 1n6i n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6i s ALA 93 N -1.78 3.33 -0.26 4.61 0.00 -0.70 -4.80 121.76 122.16 1n6i s ALA 93 Ca 0.50 0.74 0.23 0.00 0.00 0.00 0.00 51.96 53.42 1n6i s ALA 93 Cb 0.32 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1n6i s ALA 93 CO 0.25 0.01 0.93 1.04 0.00 0.00 0.00 175.76 177.98 1n6i n GLN 94 N 1.11 0.56 -3.68 0.00 6.02 0.39 -4.71 117.38 117.07 1n6i n GLN 94 Ca -0.01 0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.91 1n6i n GLN 94 Cb 0.47 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 1n6i n GLN 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n6i s ALA 95 N -3.37 -0.85 0.03 -1.58 0.00 -0.94 -1.81 121.76 113.25 1n6i s ALA 95 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1n6i s ALA 95 Cb 0.11 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1n6i s ALA 95 CO 0.82 -0.55 -0.04 0.00 0.00 0.00 0.00 175.76 175.98 1n6i s ALA 96 N -3.33 0.23 -0.19 0.00 0.00 -0.04 -1.73 121.76 116.69 1n6i s ALA 96 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1n6i s ALA 96 Cb 0.01 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.31 1n6i s ALA 96 CO -0.08 -0.16 -0.14 0.42 0.00 0.00 0.00 175.76 175.79 1n6i s ILE 97 N -1.68 1.86 -0.23 0.00 1.01 -0.15 -0.52 121.20 121.48 1n6i s ILE 97 Ca -0.13 -1.03 -0.16 0.00 0.00 0.00 0.00 60.65 59.33 1n6i s ILE 97 Cb -0.08 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1n6i s ILE 97 CO -0.02 0.31 0.43 -0.69 0.00 0.00 0.00 174.94 174.97 1n6i s VAL 98 N 1.33 5.16 -0.09 2.92 1.01 -0.02 -1.29 120.40 129.42 1n6i s VAL 98 Ca 0.01 0.73 -0.02 0.00 0.00 0.00 0.00 61.98 62.70 1n6i s VAL 98 Cb -0.15 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1n6i s VAL 98 CO -0.10 0.18 -0.01 -0.69 0.00 0.00 0.00 175.10 174.48 1n6i s VAL 99 N 1.77 4.19 0.36 2.92 1.01 0.56 -1.02 120.40 130.19 1n6i s VAL 99 Ca 0.19 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1n6i s VAL 99 Cb -0.15 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1n6i s VAL 99 CO 0.09 0.59 0.12 -0.72 0.00 0.00 0.00 175.10 175.18 1n6i s TYR 100 N -0.75 1.77 -0.20 5.22 -0.85 -0.33 -4.22 117.35 117.98 1n6i s TYR 100 Ca 0.12 -1.24 -0.03 0.00 -0.52 0.00 0.00 57.07 55.39 1n6i s TYR 100 Cb -0.11 -1.10 -0.01 0.00 0.38 0.00 0.00 41.96 41.12 1n6i s TYR 100 CO 0.02 -0.30 -0.06 0.34 -1.52 0.00 0.00 175.55 174.03 1n6i s ASP 101 N -3.51 4.22 0.00 -0.18 3.68 -1.26 -0.62 116.67 119.00 1n6i s ASP 101 Ca 0.30 -0.39 0.04 0.00 2.13 0.00 0.00 52.55 54.63 1n6i s ASP 101 Cb 0.05 -1.71 0.16 0.00 -1.45 0.00 0.00 42.92 39.96 1n6i s ASP 101 CO 0.16 0.01 1.12 2.30 0.13 0.00 0.00 175.17 178.88 1n6i n ILE 102 N 4.57 1.76 0.74 4.11 -5.35 -0.31 -1.19 119.36 123.69 1n6i n ILE 102 Ca -0.18 0.44 0.12 0.00 -0.27 0.00 0.00 62.75 62.86 1n6i n ILE 102 Cb 0.51 -1.39 0.23 0.00 -1.74 0.00 0.00 39.64 37.26 1n6i n ILE 102 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1n6i n THR 103 N -1.51 0.28 -3.66 7.28 -2.24 -1.26 -0.21 114.28 112.96 1n6i n THR 103 Ca 0.01 -0.58 -0.29 0.00 -2.27 0.00 0.00 64.05 60.92 1n6i n THR 103 Cb 0.04 0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 69.12 1n6i n THR 103 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1n6i s ASN 104 N -1.69 3.80 0.36 3.42 3.84 -0.33 -4.43 114.94 119.91 1n6i s ASN 104 Ca 0.35 -1.59 0.04 0.00 0.21 0.00 0.00 52.86 51.86 1n6i s ASN 104 Cb 0.21 -0.68 0.68 0.00 -0.55 0.00 0.00 41.25 40.91 1n6i s ASN 104 CO 0.31 -0.41 2.00 -0.08 -2.79 0.00 0.00 177.10 176.12 1n6i h GLU 105 N 8.08 0.71 -0.71 0.43 4.81 -1.83 -1.86 114.58 124.21 1n6i h GLU 105 Ca -0.14 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1n6i h GLU 105 Cb 1.01 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 1n6i h GLU 105 CO 0.45 0.51 0.46 1.49 -0.73 0.00 0.00 179.01 181.19 1n6i h GLU 106 N 0.72 0.94 0.00 1.92 4.22 -1.94 -1.12 114.58 119.32 1n6i h GLU 106 Ca 0.19 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.48 1n6i h GLU 106 Cb -0.01 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1n6i h GLU 106 CO -0.03 0.63 -0.40 0.66 -2.18 0.00 0.00 179.01 177.69 1n6i h SER 107 N 0.97 0.00 -0.31 1.04 4.64 -1.67 -0.88 113.55 117.34 1n6i h SER 107 Ca 0.26 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 1n6i h SER 107 Cb -0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1n6i h SER 107 CO -0.05 0.40 -0.20 0.15 -0.87 0.00 0.00 176.83 176.25 1n6i h PHE 108 N 0.00 0.80 -0.74 4.77 3.57 -1.09 -1.00 116.94 123.26 1n6i h PHE 108 Ca -0.00 -0.22 -0.05 0.00 3.53 0.00 0.00 57.97 61.23 1n6i h PHE 108 Cb 0.72 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1n6i h PHE 108 CO 0.00 0.93 0.26 0.00 -2.23 0.00 0.00 178.31 177.27 1n6i h ALA 109 N 0.74 0.96 -0.63 2.41 0.00 -0.92 -2.12 119.26 119.70 1n6i h ALA 109 Ca 0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1n6i h ALA 109 Cb 0.75 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1n6i h ALA 109 CO 0.06 0.62 0.21 -0.09 0.00 0.00 0.00 179.25 180.04 1n6i h ARG 110 N 1.08 0.95 -0.73 0.00 9.65 -1.00 -2.15 114.38 122.17 1n6i h ARG 110 Ca 0.24 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 1n6i h ARG 110 Cb 0.27 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 1n6i h ARG 110 CO -0.01 0.81 0.36 0.00 2.80 0.00 0.00 179.97 183.92 1n6i h ALA 111 N 1.30 1.25 -0.30 2.80 0.00 -0.61 -1.45 119.26 122.24 1n6i h ALA 111 Ca 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1n6i h ALA 111 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1n6i h ALA 111 CO -0.01 0.58 -0.01 0.87 0.00 0.00 0.00 179.25 180.68 1n6i h LYS 112 N 1.04 0.46 -0.09 0.00 1.57 -0.77 -0.73 116.57 118.06 1n6i h LYS 112 Ca 0.25 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 1n6i h LYS 112 Cb 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1n6i h LYS 112 CO -0.03 0.50 -0.59 -0.91 -0.57 0.00 0.00 179.45 177.84 1n6i h ASN 113 N 0.45 0.33 -0.64 0.86 2.35 -0.95 -1.39 115.58 116.59 1n6i h ASN 113 Ca 0.10 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 1n6i h ASN 113 Cb 0.31 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1n6i h ASN 113 CO 0.01 0.85 0.10 -0.50 -1.65 0.00 0.00 177.43 176.23 1n6i h TRP 114 N 0.22 1.13 -0.65 1.19 4.06 -0.62 -1.28 115.95 120.00 1n6i h TRP 114 Ca -0.00 -0.16 -0.01 0.00 2.06 0.00 0.00 58.89 60.77 1n6i h TRP 114 Cb 1.10 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.92 1n6i h TRP 114 CO 0.03 0.96 0.36 0.28 -3.56 0.00 0.00 178.44 176.51 1n6i h VAL 115 N 0.97 1.20 -0.60 1.49 2.07 -0.84 -0.62 116.25 119.92 1n6i h VAL 115 Ca 0.19 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1n6i h VAL 115 Cb 0.44 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1n6i h VAL 115 CO 0.01 0.22 0.39 0.11 0.02 0.00 0.00 177.57 178.32 1n6i h LYS 116 N 0.89 0.80 -0.72 1.57 1.57 -1.00 0.06 116.57 119.73 1n6i h LYS 116 Ca 0.23 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1n6i h LYS 116 Cb 0.03 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1n6i h LYS 116 CO -0.04 0.54 0.34 1.49 -0.57 0.00 0.00 179.45 181.21 1n6i h GLU 117 N 0.82 1.05 -0.40 3.15 4.81 -0.76 -1.91 114.58 121.34 1n6i h GLU 117 Ca 0.22 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1n6i h GLU 117 Cb -0.08 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1n6i h GLU 117 CO -0.05 0.83 0.02 -0.07 -0.73 0.00 0.00 179.01 179.02 1n6i h LEU 118 N 1.02 0.68 -1.91 1.64 3.38 -0.70 1.00 115.31 120.43 1n6i h LEU 118 Ca 0.25 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1n6i h LEU 118 Cb 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1n6i h LEU 118 CO -0.03 0.81 -0.09 1.56 0.09 0.00 0.00 178.44 180.78 1n6i h GLN 119 N 0.54 0.00 0.00 1.13 4.20 -0.69 -1.44 115.11 118.85 1n6i h GLN 119 Ca 0.12 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.56 1n6i h GLN 119 Cb 0.45 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 1n6i h GLN 119 CO 0.02 0.09 -1.91 0.54 -0.67 0.00 0.00 178.83 176.90 1n6i n ARG 120 N -4.26 0.65 0.00 1.46 1.74 -0.74 -4.71 116.66 110.80 1n6i n ARG 120 Ca -0.03 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1n6i n ARG 120 Cb 0.17 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 1n6i n ARG 120 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1n6i n GLN 121 N -2.84 5.73 -1.96 5.56 1.13 0.32 -5.06 117.38 120.25 1n6i n GLN 121 Ca -0.20 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.74 1n6i n GLN 121 Cb 1.00 -0.56 0.05 0.00 0.11 0.00 0.00 30.24 30.85 1n6i n GLN 121 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n6i n ALA 122 N -1.04 0.46 -1.71 -1.58 0.00 -0.55 -4.93 120.51 111.16 1n6i n ALA 122 Ca 0.00 -1.17 -0.43 0.00 0.00 0.00 0.00 53.44 51.85 1n6i n ALA 122 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.70 1n6i n ALA 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n6i n SER 123 N -2.75 3.17 0.30 0.00 2.88 -1.26 -4.86 113.62 111.10 1n6i n SER 123 Ca 0.09 1.18 0.17 0.00 -1.33 0.00 0.00 58.87 58.98 1n6i n SER 123 Cb 0.34 -1.51 0.95 0.00 -0.75 0.00 0.00 64.21 63.24 1n6i n SER 123 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1n6i h PRO 124 N 3.61 0.00 -0.71 -1.46 0.13 -1.92 -2.20 132.00 129.45 1n6i h PRO 124 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1n6i h PRO 124 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1n6i h PRO 124 CO 0.70 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.60 1n6i n ASN 125 N -3.50 4.19 -4.77 1.44 5.03 -1.26 -4.99 115.26 111.41 1n6i n ASN 125 Ca -0.02 -2.14 -0.40 0.00 0.87 0.00 0.00 54.58 52.88 1n6i n ASN 125 Cb 0.13 -0.52 0.01 0.00 -1.02 0.00 0.00 39.78 38.38 1n6i n ASN 125 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1n6i s ILE 126 N -1.28 2.12 -0.21 2.41 2.07 -0.83 -4.97 121.20 120.51 1n6i s ILE 126 Ca 0.50 0.11 -0.16 0.00 -1.41 0.00 0.00 60.65 59.70 1n6i s ILE 126 Cb 0.28 -3.07 -0.04 0.00 0.13 0.00 0.00 42.46 39.76 1n6i s ILE 126 CO 0.31 0.02 0.39 -0.69 -1.91 0.00 0.00 174.94 173.05 1n6i s VAL 127 N -1.18 5.20 -0.19 4.00 1.01 -0.75 -4.97 120.40 123.52 1n6i s VAL 127 Ca 0.58 0.67 -0.02 0.00 0.00 0.00 0.00 61.98 63.21 1n6i s VAL 127 Cb -0.44 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1n6i s VAL 127 CO 0.58 0.24 -0.09 -0.63 0.00 0.00 0.00 175.10 175.20 1n6i s ILE 128 N 1.42 3.14 0.15 2.22 1.01 -1.26 -0.86 121.20 127.01 1n6i s ILE 128 Ca 0.18 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1n6i s ILE 128 Cb -0.15 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1n6i s ILE 128 CO 0.08 0.47 0.09 0.00 0.00 0.00 0.00 174.94 175.58 1n6i s ALA 129 N 1.12 3.47 -0.13 9.38 0.00 0.32 -1.33 121.76 134.59 1n6i s ALA 129 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1n6i s ALA 129 Cb -0.14 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.71 1n6i s ALA 129 CO -0.02 0.54 -0.13 -1.17 0.00 0.00 0.00 175.76 174.98 1n6i s LEU 130 N -2.93 1.57 -0.24 0.00 2.96 0.54 -0.84 118.68 119.73 1n6i s LEU 130 Ca 0.30 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 1n6i s LEU 130 Cb -0.10 -1.07 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 1n6i s LEU 130 CO 0.22 -0.06 0.04 -0.55 -1.32 0.00 0.00 176.35 174.68 1n6i s SER 131 N 1.42 4.89 -0.76 3.68 0.15 -0.19 -2.04 113.70 120.86 1n6i s SER 131 Ca 0.02 -0.26 -0.18 0.00 0.70 0.00 0.00 55.95 56.23 1n6i s SER 131 Cb -0.13 -1.87 0.13 0.00 -1.71 0.00 0.00 66.02 62.44 1n6i s SER 131 CO -0.08 -0.03 0.89 -0.83 1.20 0.00 0.00 173.24 174.39 1n6i s GLY 132 N 1.55 1.95 0.70 9.45 0.00 -0.50 -1.19 107.32 119.29 1n6i s GLY 132 Ca 0.06 -2.58 -0.08 0.00 0.00 0.00 0.00 44.72 42.12 1n6i s GLY 132 CO 0.02 1.72 1.03 0.21 0.00 0.00 0.00 173.10 176.07 1n6i s ASN 133 N 3.36 4.95 -0.98 1.64 2.47 0.21 -0.85 114.94 125.74 1n6i s ASN 133 Ca 0.21 0.60 -0.06 0.00 0.42 0.00 0.00 52.86 54.03 1n6i s ASN 133 Cb -0.14 -1.29 0.01 0.00 -1.45 0.00 0.00 41.25 38.37 1n6i s ASN 133 CO -0.02 -1.53 0.74 0.29 -3.72 0.00 0.00 177.10 172.85 1n6i n LYS 134 N -2.93 -5.08 0.18 0.43 5.02 -0.77 -1.16 118.16 113.85 1n6i n LYS 134 Ca 0.07 0.59 0.13 0.00 -2.02 0.00 0.00 58.31 57.09 1n6i n LYS 134 Cb 0.60 -4.88 0.64 0.00 -0.02 0.00 0.00 35.03 31.37 1n6i n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n6i h ALA 135 N 0.71 1.00 0.00 7.82 0.00 -1.30 -0.73 119.26 126.76 1n6i h ALA 135 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1n6i h ALA 135 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1n6i h ALA 135 CO 0.39 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.24 1n6i n ASP 136 N -2.43 0.58 -2.26 0.00 5.75 -1.26 -2.74 116.55 114.19 1n6i n ASP 136 Ca -0.00 0.62 -0.30 0.00 -0.01 0.00 0.00 54.79 55.10 1n6i n ASP 136 Cb 0.13 -0.75 0.11 0.00 -1.03 0.00 0.00 41.12 39.58 1n6i n ASP 136 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1n6i n LEU 137 N -2.12 7.26 0.32 -2.12 4.77 -0.28 -4.65 117.00 120.19 1n6i n LEU 137 Ca 0.03 -3.97 0.21 0.00 -0.03 0.00 0.00 56.01 52.25 1n6i n LEU 137 Cb 0.26 -0.93 1.10 0.00 -2.33 0.00 0.00 43.42 41.52 1n6i n LEU 137 CO 0.21 1.30 1.15 0.00 -1.33 0.00 0.00 177.39 178.71 1n6i h ALA 138 N 1.62 1.07 0.00 -1.18 0.00 -1.71 0.22 119.26 119.28 1n6i h ALA 138 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1n6i h ALA 138 Cb 1.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1n6i h ALA 138 CO 1.37 0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.90 1n6i n ASN 139 N -3.19 0.15 -0.11 0.00 0.23 -1.26 -1.82 115.26 109.26 1n6i n ASN 139 Ca -0.02 0.54 0.09 0.00 -0.53 0.00 0.00 54.58 54.66 1n6i n ASN 139 Cb 0.11 -0.57 0.13 0.00 -2.08 0.00 0.00 39.78 37.38 1n6i n ASN 139 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1n6i n LYS 140 N -1.66 1.22 -1.63 -3.83 5.02 0.06 -5.08 118.16 112.25 1n6i n LYS 140 Ca 0.03 -2.51 -0.46 0.00 -2.02 0.00 0.00 58.31 53.34 1n6i n LYS 140 Cb 0.16 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 1n6i n LYS 140 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1n6i n ARG 141 N -1.35 1.65 0.00 1.97 0.63 -0.75 -4.44 116.66 114.38 1n6i n ARG 141 Ca 0.15 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 1n6i n ARG 141 Cb 0.65 -2.15 0.00 0.00 0.45 0.00 0.00 32.46 31.41 1n6i n ARG 141 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1n6i n ALA 142 N 1.44 1.59 -4.07 5.13 0.00 0.71 -4.93 120.51 120.39 1n6i n ALA 142 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 1n6i n ALA 142 Cb 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.59 1n6i n ALA 142 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n6i s VAL 143 N -1.23 2.17 0.23 0.00 1.01 -0.73 -4.67 120.40 117.19 1n6i s VAL 143 Ca 0.00 -1.10 -0.31 0.00 0.00 0.00 0.00 61.98 60.57 1n6i s VAL 143 Cb 0.00 -2.02 -0.11 0.00 0.00 0.00 0.00 36.38 34.26 1n6i s VAL 143 CO 0.00 0.38 1.57 -0.62 0.00 0.00 0.00 175.10 176.43 1n6i s ASP 144 N 1.25 6.51 0.12 3.32 -1.08 -1.26 -4.93 116.67 120.60 1n6i s ASP 144 Ca 0.01 2.77 -0.20 0.00 -0.52 0.00 0.00 52.55 54.61 1n6i s ASP 144 Cb -0.15 -2.61 -0.06 0.00 -1.46 0.00 0.00 42.92 38.64 1n6i s ASP 144 CO -0.10 -0.84 1.75 0.15 0.52 0.00 0.00 175.17 176.65 1n6i h PHE 145 N 5.75 0.13 -0.29 -5.34 3.57 -1.99 -1.90 116.94 116.87 1n6i h PHE 145 Ca -0.45 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 1n6i h PHE 145 Cb 1.21 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1n6i h PHE 145 CO 0.62 0.07 0.01 0.37 -2.23 0.00 0.00 178.31 177.15 1n6i h GLN 146 N 0.17 0.43 -0.40 1.11 5.75 -1.99 0.11 115.11 120.29 1n6i h GLN 146 Ca 0.07 -0.08 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 1n6i h GLN 146 Cb 0.03 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 1n6i h GLN 146 CO -0.07 0.45 -0.18 1.49 -2.65 0.00 0.00 178.83 177.88 1n6i h GLU 147 N 0.42 0.82 -0.53 1.69 4.81 -1.86 -0.73 114.58 119.22 1n6i h GLU 147 Ca 0.10 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 58.87 1n6i h GLU 147 Cb 0.26 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1n6i h GLU 147 CO 0.01 0.98 -0.10 0.00 -0.73 0.00 0.00 179.01 179.17 1n6i h ALA 148 N 0.82 0.83 -0.59 2.92 0.00 -0.77 -1.39 119.26 121.08 1n6i h ALA 148 Ca 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1n6i h ALA 148 Cb 0.73 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1n6i h ALA 148 CO 0.06 0.66 0.27 0.37 0.00 0.00 0.00 179.25 180.60 1n6i h GLN 149 N 0.87 0.86 -0.47 0.00 5.75 -0.62 0.34 115.11 121.84 1n6i h GLN 149 Ca 0.14 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 1n6i h GLN 149 Cb 0.65 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 1n6i h GLN 149 CO 0.04 0.71 0.10 1.03 -2.65 0.00 0.00 178.83 178.06 1n6i h SER 150 N 0.81 0.72 -0.51 -0.69 0.87 -0.95 0.68 113.55 114.48 1n6i h SER 150 Ca 0.20 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1n6i h SER 150 Cb 0.14 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1n6i h SER 150 CO -0.02 0.78 0.33 0.22 -0.53 0.00 0.00 176.83 177.61 1n6i h TYR 151 N 0.64 0.63 -0.51 2.24 3.20 -0.99 0.15 116.97 122.33 1n6i h TYR 151 Ca 0.15 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1n6i h TYR 151 Cb 0.34 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1n6i h TYR 151 CO 0.02 0.39 0.19 0.00 -1.64 0.00 0.00 178.16 177.12 1n6i h ALA 152 N 1.20 0.67 -0.26 1.82 0.00 -0.58 -2.07 119.26 120.02 1n6i h ALA 152 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1n6i h ALA 152 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1n6i h ALA 152 CO -0.05 0.29 0.14 -0.44 0.00 0.00 0.00 179.25 179.19 1n6i h ASP 153 N 0.69 0.33 0.24 0.00 3.32 -0.52 0.37 116.42 120.86 1n6i h ASP 153 Ca 0.17 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1n6i h ASP 153 Cb 0.22 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1n6i h ASP 153 CO -0.01 0.33 -0.08 0.44 -1.72 0.00 0.00 179.24 178.20 1n6i h ASP 154 N 0.30 0.00 -0.36 6.45 3.32 -0.83 -2.86 116.42 122.44 1n6i h ASP 154 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1n6i h ASP 154 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1n6i h ASP 154 CO -0.01 0.08 0.00 0.59 -1.72 0.00 0.00 179.24 178.18 1n6i n ASN 155 N -3.74 3.79 -3.72 6.45 3.02 -0.79 -4.99 115.26 115.28 1n6i n ASN 155 Ca -0.02 -2.59 -0.24 0.00 -0.03 0.00 0.00 54.58 51.70 1n6i n ASN 155 Cb 0.19 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 38.93 1n6i n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1n6i n SER 156 N 0.12 -2.09 -4.47 6.41 7.64 -0.46 -5.01 113.62 115.77 1n6i n SER 156 Ca 0.19 -0.89 -0.31 0.00 1.01 0.00 0.00 58.87 58.87 1n6i n SER 156 Cb 0.75 -3.79 -0.12 0.00 -1.01 0.00 0.00 64.21 60.03 1n6i n SER 156 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n6i s LEU 157 N -6.62 2.66 -0.60 -3.43 1.43 -0.00 -4.69 118.68 107.44 1n6i s LEU 157 Ca 0.12 -0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 52.59 1n6i s LEU 157 Cb -0.04 -1.55 0.05 0.00 0.03 0.00 0.00 46.19 44.68 1n6i s LEU 157 CO 0.83 0.26 0.98 -0.22 0.23 0.00 0.00 176.35 178.43 1n6i s LEU 158 N -1.39 4.10 -0.12 1.79 0.20 -0.44 -4.47 118.68 118.35 1n6i s LEU 158 Ca 0.15 -0.53 -0.05 0.00 0.69 0.00 0.00 54.13 54.38 1n6i s LEU 158 Cb -0.11 -2.70 -0.04 0.00 -0.43 0.00 0.00 46.19 42.92 1n6i s LEU 158 CO 0.05 -1.34 0.08 0.12 -0.29 0.00 0.00 176.35 174.98 1n6i s PHE 159 N 4.13 3.40 -0.11 5.38 5.36 -1.26 -0.34 117.98 134.54 1n6i s PHE 159 Ca 0.29 0.35 -0.18 0.00 -0.96 0.00 0.00 56.93 56.43 1n6i s PHE 159 Cb -0.13 -1.91 0.04 0.00 -0.34 0.00 0.00 43.02 40.68 1n6i s PHE 159 CO 0.16 0.56 0.45 -1.64 -1.46 0.00 0.00 175.22 173.29 1n6i s MET 160 N -0.76 0.65 0.09 10.12 -1.94 -0.87 -4.97 119.30 121.63 1n6i s MET 160 Ca 0.13 0.34 -0.19 0.00 -1.71 0.00 0.00 55.69 54.26 1n6i s MET 160 Cb -0.12 0.31 -0.07 0.00 2.01 0.00 0.00 34.83 36.96 1n6i s MET 160 CO 0.03 -0.14 0.58 -1.21 -0.01 0.00 0.00 175.02 174.27 1n6i s GLU 161 N -0.43 4.19 0.17 2.03 2.02 -1.26 -1.40 118.70 124.01 1n6i s GLU 161 Ca -0.06 0.72 0.03 0.00 0.02 0.00 0.00 54.97 55.69 1n6i s GLU 161 Cb -0.03 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 1n6i s GLU 161 CO 0.03 0.60 -0.04 0.95 0.02 0.00 0.00 175.26 176.82 1n6i s THR 162 N -1.18 0.89 -0.21 3.63 -4.23 -0.03 -4.64 115.64 109.87 1n6i s THR 162 Ca 0.31 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1n6i s THR 162 Cb -0.19 -2.03 0.07 0.00 1.34 0.00 0.00 72.50 71.70 1n6i s THR 162 CO 0.19 -0.58 0.10 -0.55 -0.54 0.00 0.00 174.62 173.24 1n6i s SER 163 N -3.18 2.83 0.44 3.99 0.15 -0.40 -1.08 113.70 116.45 1n6i s SER 163 Ca 0.21 -0.88 0.15 0.00 0.70 0.00 0.00 55.95 56.13 1n6i s SER 163 Cb 0.05 -0.34 1.00 0.00 -1.71 0.00 0.00 66.02 65.02 1n6i s SER 163 CO 0.03 -0.38 1.98 0.00 1.20 0.00 0.00 173.24 176.07 1n6i h ALA 164 N 8.38 1.67 -0.47 5.45 0.00 -1.88 0.26 119.26 132.67 1n6i h ALA 164 Ca -0.17 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1n6i h ALA 164 Cb 1.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1n6i h ALA 164 CO 0.35 0.24 -0.06 -0.22 0.00 0.00 0.00 179.25 179.56 1n6i h LYS 165 N 0.00 0.87 0.00 0.00 3.64 -1.93 -3.30 116.57 115.85 1n6i h LYS 165 Ca -0.00 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1n6i h LYS 165 Cb 0.34 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1n6i h LYS 165 CO 0.03 0.95 -1.81 0.25 -2.27 0.00 0.00 179.45 176.60 1n6i n THR 166 N -4.29 0.02 -0.15 1.00 -2.24 -1.13 -4.98 114.28 102.52 1n6i n THR 166 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1n6i n THR 166 Cb 0.35 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1n6i n THR 166 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n6i n SER 167 N -2.16 0.00 -4.67 3.42 3.41 0.88 -5.04 113.62 109.45 1n6i n SER 167 Ca -0.03 0.00 -0.54 0.00 -0.26 0.00 0.00 58.87 58.05 1n6i n SER 167 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1n6i n SER 167 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1n6i n MET 168 N -2.00 1.43 -1.09 4.33 0.00 -1.04 -1.52 117.12 117.22 1n6i n MET 168 Ca 0.00 0.52 -0.08 0.00 0.00 0.00 0.00 57.70 58.14 1n6i n MET 168 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 33.22 30.96 1n6i n MET 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1n6i n ASN 169 N 4.76 -4.40 0.14 6.12 3.02 -1.26 -1.28 115.26 122.36 1n6i n ASN 169 Ca 0.23 0.19 -0.11 0.00 -0.03 0.00 0.00 54.58 54.85 1n6i n ASN 169 Cb 0.19 -3.28 -0.07 0.00 -0.61 0.00 0.00 39.78 36.01 1n6i n ASN 169 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1n6i h VAL 170 N 0.00 0.55 -0.39 2.41 2.07 -1.58 -1.29 116.25 118.02 1n6i h VAL 170 Ca -0.15 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 1n6i h VAL 170 Cb 0.89 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1n6i h VAL 170 CO 0.23 0.12 -0.00 -1.13 0.02 0.00 0.00 177.57 176.80 1n6i h ASN 171 N -0.92 0.58 -0.67 0.57 -0.73 -1.90 -3.03 115.58 109.49 1n6i h ASN 171 Ca -0.04 -0.12 0.01 0.00 1.87 0.00 0.00 56.30 58.02 1n6i h ASN 171 Cb 0.51 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 38.91 1n6i h ASN 171 CO 0.07 0.66 0.44 -0.33 -0.37 0.00 0.00 177.43 177.89 1n6i h GLU 172 N 0.59 0.86 -0.39 6.67 3.07 -1.90 -0.05 114.58 123.43 1n6i h GLU 172 Ca 0.12 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.81 1n6i h GLU 172 Cb 0.38 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1n6i h GLU 172 CO 0.01 0.57 -0.24 0.97 -1.40 0.00 0.00 179.01 178.92 1n6i h ILE 173 N 0.89 1.27 -0.34 3.13 2.10 -1.11 0.30 117.51 123.75 1n6i h ILE 173 Ca 0.25 -1.37 -0.09 0.00 1.08 0.00 0.00 64.86 64.73 1n6i h ILE 173 Cb -0.07 1.24 -0.01 0.00 -1.09 0.00 0.00 36.82 36.89 1n6i h ILE 173 CO -0.07 0.46 -0.15 -0.26 -1.08 0.00 0.00 178.15 177.05 1n6i h PHE 174 N 0.68 0.80 -0.27 2.19 0.04 -1.42 -2.41 116.94 116.55 1n6i h PHE 174 Ca 0.09 -0.19 -0.09 0.00 2.80 0.00 0.00 57.97 60.58 1n6i h PHE 174 Cb 0.77 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1n6i h PHE 174 CO 0.04 0.89 -0.22 0.52 -0.60 0.00 0.00 178.31 178.95 1n6i h MET 175 N 0.47 0.50 -0.40 1.51 2.86 -0.87 -2.03 114.93 116.96 1n6i h MET 175 Ca 0.08 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1n6i h MET 175 Cb 0.68 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1n6i h MET 175 CO 0.05 0.69 -0.06 0.00 1.06 0.00 0.00 176.91 178.65 1n6i h ALA 176 N 1.32 1.15 -0.17 6.32 0.00 -0.79 -1.03 119.26 126.05 1n6i h ALA 176 Ca 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1n6i h ALA 176 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1n6i h ALA 176 CO 0.04 0.54 0.03 0.82 0.00 0.00 0.00 179.25 180.69 1n6i h ILE 177 N 0.63 1.22 -0.92 0.00 2.04 -1.10 -2.82 117.51 116.57 1n6i h ILE 177 Ca 0.12 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.31 1n6i h ILE 177 Cb 0.48 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 1n6i h ILE 177 CO 0.03 0.22 0.60 0.00 0.00 0.00 0.00 178.15 178.99 1n6i h ALA 178 N 0.82 1.48 0.00 1.87 0.00 -1.00 -1.68 119.26 120.74 1n6i h ALA 178 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1n6i h ALA 178 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1n6i h ALA 178 CO 0.00 0.39 -0.21 0.87 0.00 0.00 0.00 179.25 180.31 1n6i h LYS 179 N 1.07 0.00 -0.01 0.00 1.57 -1.04 -2.77 116.57 115.39 1n6i h LYS 179 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1n6i h LYS 179 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1n6i h LYS 179 CO -0.14 0.21 -0.11 1.63 -0.57 0.00 0.00 179.45 180.47 1n6i n LYS 180 N -4.13 1.39 0.00 3.15 4.76 -0.66 -5.11 118.16 117.56 1n6i n LYS 180 Ca -0.02 -0.86 0.13 0.00 -2.87 0.00 0.00 58.31 54.69 1n6i n LYS 180 Cb 0.28 -1.48 0.30 0.00 -1.84 0.00 0.00 35.03 32.29 1n6i n LYS 180 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31