#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6h n ASN 2 N 0.00 2.63 -4.74 3.17 3.02 -1.26 -5.00 115.26 113.08 1i6h n ASN 2 Ca 0.00 -1.90 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 1i6h n ASN 2 Cb 0.00 -0.17 -0.04 0.00 -0.61 0.00 0.00 39.78 38.96 1i6h n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i6h s ALA 3 N -0.97 3.37 0.30 5.41 0.00 -1.26 -5.05 121.76 123.56 1i6h s ALA 3 Ca 0.18 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 1i6h s ALA 3 Cb 0.10 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 1i6h s ALA 3 CO 0.13 -0.20 0.71 -1.25 0.00 0.00 0.00 175.76 175.16 1i6h s PRO 4 N -0.41 4.02 0.36 0.00 0.04 -1.26 -5.02 135.00 132.73 1i6h s PRO 4 Ca 0.49 0.66 -0.28 0.00 0.04 0.00 0.00 61.00 61.90 1i6h s PRO 4 Cb -0.29 -2.52 -0.11 0.00 0.04 0.00 0.00 34.50 31.61 1i6h s PRO 4 CO 0.35 0.21 1.47 -0.25 0.04 0.00 0.00 177.00 178.82 1i6h n ASP 5 N -0.18 3.65 -0.22 6.66 8.00 -1.26 -4.90 116.55 128.31 1i6h n ASP 5 Ca 0.02 1.22 -0.00 0.00 0.71 0.00 0.00 54.79 56.73 1i6h n ASP 5 Cb 0.53 -1.60 0.11 0.00 -0.02 0.00 0.00 41.12 40.14 1i6h n ASP 5 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1i6h h ARG 6 N 3.11 0.52 0.00 -1.24 2.47 -2.04 -2.10 114.38 115.10 1i6h h ARG 6 Ca -0.50 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.19 1i6h h ARG 6 Cb 1.25 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1i6h h ARG 6 CO 0.66 0.35 0.23 0.27 0.56 0.00 0.00 179.97 182.03 1i6h h PHE 7 N 0.54 0.00 0.00 3.04 -5.15 -1.99 0.77 116.94 114.16 1i6h h PHE 7 Ca 0.31 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.08 1i6h h PHE 7 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.47 1i6h h PHE 7 CO -0.12 0.00 0.00 0.39 -2.00 0.00 0.00 178.31 176.58 1i6h n GLU 8 N -2.71 0.27 0.12 6.09 1.02 -0.79 -1.35 120.64 123.29 1i6h n GLU 8 Ca -0.02 0.08 0.01 0.00 -0.02 0.00 0.00 57.16 57.22 1i6h n GLU 8 Cb 0.27 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1i6h n GLU 8 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1i6h h LEU 9 N 0.00 0.00 -0.19 -4.62 3.38 -1.05 -3.40 115.31 109.43 1i6h h LEU 9 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i6h h LEU 9 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1i6h h LEU 9 CO 0.00 0.56 0.00 2.22 0.09 0.00 0.00 178.44 181.31 1i6h n PHE 10 N -3.20 0.00 -3.81 1.13 1.16 -0.73 -4.25 117.46 107.76 1i6h n PHE 10 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.22 1i6h n PHE 10 Cb 0.77 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.51 1i6h n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1i6h s LEU 11 N -0.10 3.78 0.30 5.98 1.02 -0.46 -4.97 118.68 124.24 1i6h s LEU 11 Ca 0.00 -0.84 -0.29 0.00 0.02 0.00 0.00 54.13 53.02 1i6h s LEU 11 Cb 0.00 -1.82 -0.11 0.00 0.02 0.00 0.00 46.19 44.28 1i6h s LEU 11 CO 0.00 -0.20 1.46 -0.76 0.02 0.00 0.00 176.35 176.87 1i6h s LEU 12 N 1.43 4.37 0.00 1.79 1.02 -1.26 -4.71 118.68 121.33 1i6h s LEU 12 Ca 0.01 2.82 0.00 0.00 0.02 0.00 0.00 54.13 56.98 1i6h s LEU 12 Cb -0.18 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.39 1i6h s LEU 12 CO 0.01 -0.76 0.00 0.61 0.02 0.00 0.00 176.35 176.23 1i6h n GLY 13 N 1.53 1.15 3.80 -3.19 0.00 -1.26 -4.98 105.19 102.24 1i6h n GLY 13 Ca 0.04 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 1i6h n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i6h s GLU 14 N 1.06 4.21 -1.24 1.61 2.02 -1.26 -4.03 118.70 121.07 1i6h s GLU 14 Ca 0.00 0.71 0.00 0.00 0.02 0.00 0.00 54.97 55.70 1i6h s GLU 14 Cb 0.00 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1i6h s GLU 14 CO 0.00 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.27 1i6h n GLY 15 N 1.92 0.69 3.06 -1.39 0.00 -1.26 -5.00 105.19 103.21 1i6h n GLY 15 Ca -0.10 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1i6h n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i6h s GLU 16 N -3.77 2.56 0.08 1.61 2.02 -1.26 -5.13 118.70 114.82 1i6h s GLU 16 Ca 0.00 -0.74 0.04 0.00 0.02 0.00 0.00 54.97 54.29 1i6h s GLU 16 Cb 0.00 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1i6h s GLU 16 CO 0.00 -0.26 0.01 -1.12 0.02 0.00 0.00 175.26 173.91 1i6h s SER 17 N 1.37 5.11 0.51 -0.19 0.01 -1.26 -4.69 113.70 114.56 1i6h s SER 17 Ca 0.04 -0.14 0.27 0.00 1.31 0.00 0.00 55.95 57.43 1i6h s SER 17 Cb -0.14 -1.25 1.37 0.00 0.21 0.00 0.00 66.02 66.21 1i6h s SER 17 CO -0.11 0.18 1.90 0.11 0.41 0.00 0.00 173.24 175.73 1i6h h LYS 18 N 3.48 0.10 -3.98 12.44 1.79 -1.93 -3.40 116.57 125.07 1i6h h LYS 18 Ca -0.48 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 57.85 1i6h h LYS 18 Cb 1.16 -0.02 -0.18 0.00 -1.58 0.00 0.00 32.23 31.61 1i6h h LYS 18 CO 0.61 0.07 -0.62 -0.51 -1.08 0.00 0.00 179.45 177.92 1i6h s LEU 19 N -8.80 2.12 -0.01 2.94 1.43 -1.26 -2.07 118.68 113.03 1i6h s LEU 19 Ca -0.06 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1i6h s LEU 19 Cb 0.22 0.34 0.02 0.00 0.03 0.00 0.00 46.19 46.80 1i6h s LEU 19 CO 0.77 -0.48 0.01 -0.75 0.23 0.00 0.00 176.35 176.14 1i6h s LYS 20 N -2.66 0.03 -0.27 1.70 2.20 -0.93 -4.97 119.74 114.83 1i6h s LYS 20 Ca -0.05 0.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.69 1i6h s LYS 20 Cb -0.01 -0.21 0.07 0.00 -1.51 0.00 0.00 37.83 36.17 1i6h s LYS 20 CO -0.05 -0.11 -0.05 0.42 -0.36 0.00 0.00 175.35 175.21 1i6h s ILE 21 N 0.71 1.89 -0.01 5.43 1.01 -1.26 -1.38 121.20 127.59 1i6h s ILE 21 Ca -0.06 -1.62 0.04 0.00 0.00 0.00 0.00 60.65 59.01 1i6h s ILE 21 Cb -0.09 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 1i6h s ILE 21 CO -0.02 -0.21 -0.11 -1.81 0.00 0.00 0.00 174.94 172.80 1i6h s ASP 22 N 1.20 4.32 -0.11 3.58 1.01 -1.11 -5.00 116.67 120.55 1i6h s ASP 22 Ca -0.03 -0.20 -0.30 0.00 0.71 0.00 0.00 52.55 52.73 1i6h s ASP 22 Cb -0.19 -0.94 -0.01 0.00 1.01 0.00 0.00 42.92 42.79 1i6h s ASP 22 CO -0.07 0.30 1.08 -2.16 0.21 0.00 0.00 175.17 174.53 1i6h s PRO 23 N -1.21 4.37 0.82 8.23 0.04 -1.26 -1.26 135.00 144.72 1i6h s PRO 23 Ca 0.15 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 1i6h s PRO 23 Cb -0.11 -3.58 0.05 0.00 0.04 0.00 0.00 34.50 30.91 1i6h s PRO 23 CO 0.05 -0.42 0.89 -3.47 0.04 0.00 0.00 177.00 174.09 1i6h n ASP 24 N 5.36 -0.11 -0.02 6.66 -0.08 -0.69 -4.86 116.55 122.81 1i6h n ASP 24 Ca 0.10 0.53 0.02 0.00 -1.51 0.00 0.00 54.79 53.93 1i6h n ASP 24 Cb 0.47 -1.38 -0.09 0.00 2.34 0.00 0.00 41.12 42.46 1i6h n ASP 24 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1i6h n THR 25 N -3.20 0.26 -0.03 5.18 -2.24 -1.26 -4.70 114.28 108.29 1i6h n THR 25 Ca 0.11 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1i6h n THR 25 Cb 0.51 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 1i6h n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1i6h h LYS 26 N 0.00 0.11 -6.13 -0.78 1.79 -1.98 -3.46 116.57 106.12 1i6h h LYS 26 Ca -0.10 -0.07 -0.52 0.00 -2.18 0.00 0.00 60.65 57.77 1i6h h LYS 26 Cb 0.93 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.55 1i6h h LYS 26 CO 0.01 0.66 -0.33 0.00 -1.08 0.00 0.00 179.45 178.70 1i6h s ALA 27 N -3.91 4.22 0.08 3.86 0.00 -1.26 -5.13 121.76 119.62 1i6h s ALA 27 Ca -0.16 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.08 1i6h s ALA 27 Cb 0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1i6h s ALA 27 CO 0.71 -0.35 0.21 -1.25 0.00 0.00 0.00 175.76 175.07 1i6h s PRO 28 N -4.22 3.37 -1.52 0.00 0.04 -1.26 -4.31 135.00 127.10 1i6h s PRO 28 Ca 0.45 -0.51 -0.13 0.00 0.04 0.00 0.00 61.00 60.84 1i6h s PRO 28 Cb -0.03 -2.98 0.08 0.00 0.04 0.00 0.00 34.50 31.61 1i6h s PRO 28 CO 0.27 0.58 0.99 0.09 0.04 0.00 0.00 177.00 178.97 1i6h n ASN 29 N 0.10 -4.80 -4.36 6.66 3.02 -1.26 -4.75 115.26 109.88 1i6h n ASN 29 Ca -0.06 -0.77 -0.30 0.00 -0.03 0.00 0.00 54.58 53.42 1i6h n ASN 29 Cb 0.52 -3.93 -0.14 0.00 -0.61 0.00 0.00 39.78 35.61 1i6h n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i6h s ALA 30 N -3.31 2.29 -0.12 5.41 0.00 -1.26 -2.46 121.76 122.31 1i6h s ALA 30 Ca 0.65 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 1i6h s ALA 30 Cb -0.32 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.35 1i6h s ALA 30 CO 0.83 0.54 0.31 0.08 0.00 0.00 0.00 175.76 177.52 1i6h s VAL 31 N -0.84 -0.01 -0.37 0.00 1.01 -0.26 -1.71 120.40 118.23 1i6h s VAL 31 Ca 0.12 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1i6h s VAL 31 Cb -0.10 -0.45 0.06 0.00 0.00 0.00 0.00 36.38 35.89 1i6h s VAL 31 CO 0.03 0.01 0.15 -0.69 0.00 0.00 0.00 175.10 174.60 1i6h s VAL 32 N 0.49 3.70 -0.31 2.92 1.01 -0.39 -1.05 120.40 126.76 1i6h s VAL 32 Ca -0.03 -1.40 -0.14 0.00 0.00 0.00 0.00 61.98 60.41 1i6h s VAL 32 Cb -0.04 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1i6h s VAL 32 CO -0.03 -0.34 0.33 -0.63 0.00 0.00 0.00 175.10 174.44 1i6h s ILE 33 N 1.34 5.20 -0.08 2.22 1.01 0.64 -2.74 121.20 128.78 1i6h s ILE 33 Ca 0.01 0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.66 1i6h s ILE 33 Cb -0.21 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1i6h s ILE 33 CO 0.01 0.03 0.50 -0.89 0.00 0.00 0.00 174.94 174.58 1i6h s THR 34 N 1.98 5.11 -0.03 2.92 2.01 -0.48 -0.57 115.64 126.58 1i6h s THR 34 Ca 0.12 1.01 -0.01 0.00 0.31 0.00 0.00 61.69 63.12 1i6h s THR 34 Cb -0.16 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1i6h s THR 34 CO 0.11 0.37 0.07 -0.36 -0.69 0.00 0.00 174.62 174.12 1i6h s PHE 35 N 0.27 3.27 -0.03 4.92 0.40 0.13 -2.19 117.98 124.75 1i6h s PHE 35 Ca 0.27 0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.86 1i6h s PHE 35 Cb -0.16 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1i6h s PHE 35 CO 0.12 0.55 -0.13 -1.21 0.70 0.00 0.00 175.22 175.25 1i6h s GLU 36 N -1.50 2.49 -1.22 0.44 0.41 -0.88 -1.99 118.70 116.44 1i6h s GLU 36 Ca 0.20 -0.72 -0.20 0.00 -0.41 0.00 0.00 54.97 53.85 1i6h s GLU 36 Cb -0.12 -2.40 0.01 0.00 -1.78 0.00 0.00 34.13 29.84 1i6h s GLU 36 CO 0.11 0.62 0.67 1.63 -0.49 0.00 0.00 175.26 177.79 1i6h n LYS 37 N 2.08 -1.36 -3.71 1.61 4.76 0.42 -4.85 118.16 117.11 1i6h n LYS 37 Ca -0.17 0.34 -0.14 0.00 -2.87 0.00 0.00 58.31 55.47 1i6h n LYS 37 Cb 0.52 -3.79 -0.09 0.00 -1.84 0.00 0.00 35.03 29.83 1i6h n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1i6h s GLU 38 N -6.50 0.60 0.00 1.97 0.41 -0.88 -4.63 118.70 109.68 1i6h s GLU 38 Ca 0.37 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 55.38 1i6h s GLU 38 Cb -0.16 0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.48 1i6h s GLU 38 CO 0.90 -0.11 0.00 -0.40 -0.49 0.00 0.00 175.26 175.16 1i6h n ASP 39 N 2.37 0.97 -0.21 -0.19 5.68 -1.26 -2.85 116.55 121.06 1i6h n ASP 39 Ca -0.15 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.15 1i6h n ASP 39 Cb 0.57 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.67 1i6h n ASP 39 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1i6h h HIS 40 N 0.00 0.29 -0.80 2.11 3.86 -1.98 -2.74 115.15 115.89 1i6h h HIS 40 Ca 0.00 0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.32 1i6h h HIS 40 Cb 0.00 -0.03 -0.10 0.00 1.06 0.00 0.00 27.41 28.34 1i6h h HIS 40 CO 0.00 0.00 -0.47 2.41 0.86 0.00 0.00 177.93 180.73 1i6h n THR 41 N -5.09 -0.55 0.07 2.45 -1.04 -1.26 -0.91 114.28 107.95 1i6h n THR 41 Ca 0.10 2.05 -0.03 0.00 -2.04 0.00 0.00 64.05 64.13 1i6h n THR 41 Cb 0.34 -2.54 -0.01 0.00 -1.82 0.00 0.00 70.33 66.29 1i6h n THR 41 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1i6h h LEU 42 N 0.00 -0.17 -0.41 -4.42 4.07 -1.93 -3.20 115.31 109.24 1i6h h LEU 42 Ca 0.13 0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.13 1i6h h LEU 42 Cb 0.33 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.06 1i6h h LEU 42 CO -0.76 -0.03 -0.24 0.61 -1.08 0.00 0.00 178.44 176.94 1i6h n GLY 43 N 0.56 -1.12 0.24 0.83 0.00 -1.05 0.27 105.19 104.91 1i6h n GLY 43 Ca -0.03 0.50 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 1i6h n GLY 43 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1i6h h ASN 44 N 0.00 0.42 -0.28 1.61 -1.24 -1.20 -0.98 115.58 113.91 1i6h h ASN 44 Ca 0.07 -0.13 -0.05 0.00 0.71 0.00 0.00 56.30 56.89 1i6h h ASN 44 Cb 0.17 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1i6h h ASN 44 CO -0.39 0.66 -0.04 0.25 -1.29 0.00 0.00 177.43 176.62 1i6h h LEU 45 N 0.38 0.51 -0.80 0.34 5.85 -0.17 -1.15 115.31 120.27 1i6h h LEU 45 Ca 0.06 -0.34 -0.13 0.00 0.84 0.00 0.00 57.88 58.31 1i6h h LEU 45 Cb 0.62 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1i6h h LEU 45 CO 0.04 0.74 -0.54 0.40 -0.34 0.00 0.00 178.44 178.74 1i6h h ILE 46 N 0.28 1.37 -0.32 4.05 2.04 -1.09 -2.37 117.51 121.47 1i6h h ILE 46 Ca 0.07 -1.84 -0.04 0.00 1.00 0.00 0.00 64.86 64.06 1i6h h ILE 46 Cb 0.50 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1i6h h ILE 46 CO 0.02 0.54 0.06 -0.09 0.00 0.00 0.00 178.15 178.69 1i6h h ARG 47 N 0.12 0.53 -0.75 2.37 1.12 -1.02 -1.13 114.38 115.62 1i6h h ARG 47 Ca 0.00 -0.14 -0.03 0.00 -1.11 0.00 0.00 59.98 58.70 1i6h h ARG 47 Cb 0.99 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 30.85 1i6h h ARG 47 CO 0.08 0.60 0.34 0.00 -3.11 0.00 0.00 179.97 177.89 1i6h h ALA 48 N 0.90 0.97 -0.11 2.80 0.00 -1.02 -2.93 119.26 119.87 1i6h h ALA 48 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1i6h h ALA 48 Cb 0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1i6h h ALA 48 CO 0.00 0.56 -0.15 0.93 0.00 0.00 0.00 179.25 180.60 1i6h h GLU 49 N 1.07 0.29 0.00 0.00 4.39 -1.37 -2.81 114.58 116.15 1i6h h GLU 49 Ca 0.26 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1i6h h GLU 49 Cb 0.15 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1i6h h GLU 49 CO -0.03 0.73 0.28 1.28 -1.16 0.00 0.00 179.01 180.11 1i6h n LEU 50 N -4.58 0.35 -1.49 1.33 4.77 -0.43 0.34 117.00 117.29 1i6h n LEU 50 Ca -0.07 0.57 0.10 0.00 -0.03 0.00 0.00 56.01 56.58 1i6h n LEU 50 Cb 0.37 -0.52 0.34 0.00 -2.33 0.00 0.00 43.42 41.27 1i6h n LEU 50 CO 0.39 -0.69 0.80 -0.11 -1.33 0.00 0.00 177.39 176.45 1i6h n LEU 51 N -2.07 4.55 -0.04 2.23 7.94 -1.06 -3.92 117.00 124.63 1i6h n LEU 51 Ca -0.01 -2.39 0.02 0.00 -1.11 0.00 0.00 56.01 52.52 1i6h n LEU 51 Cb 0.30 -0.55 -0.14 0.00 0.53 0.00 0.00 43.42 43.56 1i6h n LEU 51 CO 0.06 0.83 -0.88 0.59 -1.11 0.00 0.00 177.39 176.88 1i6h n ASN 52 N 1.11 0.63 -4.65 1.96 3.02 0.15 -4.89 115.26 112.58 1i6h n ASN 52 Ca 0.25 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.37 1i6h n ASN 52 Cb 0.84 1.47 -0.02 0.00 -0.61 0.00 0.00 39.78 41.45 1i6h n ASN 52 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i6h s ASP 53 N -4.63 6.77 0.00 6.41 -1.08 -1.24 -4.89 116.67 118.01 1i6h s ASP 53 Ca -0.08 1.75 0.22 0.00 -0.52 0.00 0.00 52.55 53.92 1i6h s ASP 53 Cb 0.09 -2.54 1.29 0.00 -1.46 0.00 0.00 42.92 40.31 1i6h s ASP 53 CO 0.77 -0.90 1.67 0.54 0.52 0.00 0.00 175.17 177.77 1i6h n ARG 54 N 6.96 0.68 -0.32 4.34 1.74 -1.26 -1.92 116.66 126.87 1i6h n ARG 54 Ca 0.15 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.33 1i6h n ARG 54 Cb 0.45 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.65 1i6h n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1i6h n LYS 55 N -1.00 2.84 -3.62 5.56 4.76 -1.26 -4.87 118.16 120.57 1i6h n LYS 55 Ca 0.16 -2.47 -0.39 0.00 -2.87 0.00 0.00 58.31 52.75 1i6h n LYS 55 Cb 0.07 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 31.66 1i6h n LYS 55 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1i6h s VAL 56 N -1.07 4.93 -0.36 -0.18 1.01 -0.81 -0.71 120.40 123.21 1i6h s VAL 56 Ca 0.40 -0.16 0.23 0.00 0.00 0.00 0.00 61.98 62.45 1i6h s VAL 56 Cb 0.21 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1i6h s VAL 56 CO 0.26 0.14 1.07 0.18 0.00 0.00 0.00 175.10 176.75 1i6h n LEU 57 N 5.03 0.75 -3.50 3.92 4.77 0.77 -4.97 117.00 123.77 1i6h n LEU 57 Ca -0.14 0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 1i6h n LEU 57 Cb 0.50 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1i6h n LEU 57 CO 0.34 -0.12 0.48 0.12 -1.33 0.00 0.00 177.39 176.88 1i6h s PHE 58 N -3.31 -0.59 -0.30 -1.77 5.36 -1.06 -4.96 117.98 111.36 1i6h s PHE 58 Ca 0.01 0.86 -0.17 0.00 -0.96 0.00 0.00 56.93 56.67 1i6h s PHE 58 Cb 0.11 0.45 0.17 0.00 -0.34 0.00 0.00 43.02 43.42 1i6h s PHE 58 CO 0.78 -0.63 1.19 0.00 -1.46 0.00 0.00 175.22 175.11 1i6h s ALA 59 N -1.82 -3.93 0.31 11.12 0.00 -1.25 -2.79 121.76 123.40 1i6h s ALA 59 Ca -0.07 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.25 1i6h s ALA 59 Cb -0.00 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1i6h s ALA 59 CO 0.03 -1.61 0.20 0.00 0.00 0.00 0.00 175.76 174.38 1i6h s ALA 60 N 2.98 1.89 0.08 0.00 0.00 -1.17 -4.97 121.76 120.58 1i6h s ALA 60 Ca -0.02 -1.83 -0.26 0.00 0.00 0.00 0.00 51.96 49.85 1i6h s ALA 60 Cb -0.07 1.29 0.08 0.00 0.00 0.00 0.00 23.12 24.42 1i6h s ALA 60 CO -0.10 -0.57 0.66 1.52 0.00 0.00 0.00 175.76 177.27 1i6h s TYR 61 N -3.59 -0.54 -0.19 0.00 -0.85 -1.25 -1.56 117.35 109.36 1i6h s TYR 61 Ca 0.37 0.51 -0.20 0.00 -0.52 0.00 0.00 57.07 57.23 1i6h s TYR 61 Cb 0.04 0.52 0.06 0.00 0.38 0.00 0.00 41.96 42.95 1i6h s TYR 61 CO 0.21 -0.75 0.57 -1.59 -1.52 0.00 0.00 175.55 172.47 1i6h s LYS 62 N -3.01 0.70 -0.53 -3.49 -2.85 -0.75 -4.95 119.74 104.85 1i6h s LYS 62 Ca -0.01 0.70 -0.16 0.00 -1.00 0.00 0.00 55.97 55.50 1i6h s LYS 62 Cb -0.01 0.34 0.11 0.00 -2.06 0.00 0.00 37.83 36.21 1i6h s LYS 62 CO -0.07 -0.10 0.50 0.14 0.10 0.00 0.00 175.35 175.92 1i6h s VAL 63 N 0.11 5.17 0.55 1.79 -7.23 -1.26 -1.67 120.40 117.85 1i6h s VAL 63 Ca -0.02 -1.35 0.24 0.00 -1.81 0.00 0.00 61.98 59.05 1i6h s VAL 63 Cb -0.04 -4.31 0.35 0.00 0.56 0.00 0.00 36.38 32.93 1i6h s VAL 63 CO 0.02 -0.84 2.09 -0.33 -0.31 0.00 0.00 175.10 175.73 1i6h h GLU 64 N 8.90 0.00 -2.51 4.82 5.08 -1.94 -3.41 114.58 125.52 1i6h h GLU 64 Ca -0.30 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.97 1i6h h GLU 64 Cb 1.10 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.09 1i6h h GLU 64 CO 1.01 0.00 -0.31 -1.58 -1.00 0.00 0.00 179.01 177.14 1i6h s HIS 65 N -4.89 -0.76 0.36 4.33 2.46 -1.26 -5.03 115.29 110.50 1i6h s HIS 65 Ca -0.05 1.50 0.10 0.00 0.47 0.00 0.00 55.06 57.08 1i6h s HIS 65 Cb 0.17 0.33 0.87 0.00 -0.13 0.00 0.00 32.58 33.82 1i6h s HIS 65 CO 0.64 -0.44 1.83 -1.00 -2.47 0.00 0.00 174.74 173.31 1i6h h PRO 66 N 7.66 0.62 -0.90 2.88 0.13 -1.98 -2.57 132.00 137.85 1i6h h PRO 66 Ca -0.25 -0.04 0.23 0.00 -0.87 0.00 0.00 66.00 65.07 1i6h h PRO 66 Cb 1.15 -0.14 -0.16 0.00 0.13 0.00 0.00 31.00 31.98 1i6h h PRO 66 CO 0.19 0.41 0.07 0.74 -0.23 0.00 0.00 178.00 179.19 1i6h h PHE 67 N 0.64 0.05 -2.87 1.56 0.05 -1.98 -3.40 116.94 110.99 1i6h h PHE 67 Ca 0.50 0.06 -0.63 0.00 3.82 0.00 0.00 57.97 61.72 1i6h h PHE 67 Cb 0.92 0.12 -0.05 0.00 2.00 0.00 0.00 35.95 38.94 1i6h h PHE 67 CO -0.00 -0.33 -0.47 -0.06 -0.18 0.00 0.00 178.31 177.28 1i6h s PHE 68 N -6.02 3.54 -1.04 -0.55 2.99 -0.97 -5.06 117.98 110.88 1i6h s PHE 68 Ca -0.13 0.38 -0.09 0.00 0.00 0.00 0.00 56.93 57.09 1i6h s PHE 68 Cb 0.26 -1.85 0.26 0.00 0.00 0.00 0.00 43.02 41.70 1i6h s PHE 68 CO 0.77 0.61 1.01 0.00 -0.00 0.00 0.00 175.22 177.62 1i6h s ALA 69 N -1.39 4.57 0.16 5.36 0.00 -1.26 -4.74 121.76 124.46 1i6h s ALA 69 Ca 0.30 -3.76 -0.20 0.00 0.00 0.00 0.00 51.96 48.30 1i6h s ALA 69 Cb -0.13 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.58 1i6h s ALA 69 CO 0.21 -2.21 0.53 -0.98 0.00 0.00 0.00 175.76 173.31 1i6h s ARG 70 N -1.04 1.24 0.29 0.00 1.70 -1.13 -0.43 118.95 119.57 1i6h s ARG 70 Ca 0.28 -0.62 -0.12 0.00 -0.47 0.00 0.00 55.73 54.80 1i6h s ARG 70 Cb -0.10 0.54 0.01 0.00 -0.57 0.00 0.00 34.95 34.83 1i6h s ARG 70 CO -0.09 -0.53 0.54 -0.59 -1.08 0.00 0.00 175.30 173.56 1i6h s PHE 71 N -3.79 0.40 -0.08 5.89 -0.12 -0.84 -4.46 117.98 114.97 1i6h s PHE 71 Ca 0.03 -0.79 0.03 0.00 -0.05 0.00 0.00 56.93 56.15 1i6h s PHE 71 Cb -0.00 0.28 0.01 0.00 -0.63 0.00 0.00 43.02 42.68 1i6h s PHE 71 CO -0.11 -1.12 -0.17 0.15 -0.05 0.00 0.00 175.22 173.93 1i6h s LYS 72 N -3.61 2.22 -0.16 1.99 1.02 -0.67 0.18 119.74 120.71 1i6h s LYS 72 Ca 0.22 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.58 1i6h s LYS 72 Cb -0.02 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.50 1i6h s LYS 72 CO 0.11 0.07 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.40 1i6h s LEU 73 N 0.59 3.19 -0.07 3.17 2.96 0.27 -1.81 118.68 126.98 1i6h s LEU 73 Ca -0.15 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1i6h s LEU 73 Cb -0.16 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 1i6h s LEU 73 CO 0.05 0.15 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.55 1i6h s ARG 74 N 0.48 2.74 -0.02 1.98 3.52 -0.60 -0.26 118.95 126.78 1i6h s ARG 74 Ca -0.04 -0.57 -0.01 0.00 -0.13 0.00 0.00 55.73 54.98 1i6h s ARG 74 Cb -0.14 -2.56 0.02 0.00 -1.56 0.00 0.00 34.95 30.70 1i6h s ARG 74 CO 0.03 0.64 0.04 0.42 -0.81 0.00 0.00 175.30 175.62 1i6h s ILE 75 N -0.75 -0.04 -0.07 4.11 1.01 -0.22 -3.03 121.20 122.22 1i6h s ILE 75 Ca 0.12 0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.89 1i6h s ILE 75 Cb -0.11 -0.09 0.02 0.00 0.01 0.00 0.00 42.46 42.30 1i6h s ILE 75 CO 0.01 0.05 -0.03 -1.58 0.00 0.00 0.00 174.94 173.40 1i6h s GLN 76 N 0.68 0.88 0.28 2.79 0.74 -1.12 -1.11 119.66 122.81 1i6h s GLN 76 Ca -0.06 -0.04 0.09 0.00 0.05 0.00 0.00 55.36 55.40 1i6h s GLN 76 Cb -0.08 -1.06 -0.05 0.00 1.10 0.00 0.00 33.01 32.92 1i6h s GLN 76 CO -0.02 -0.22 -0.13 0.95 -0.55 0.00 0.00 175.29 175.32 1i6h s THR 77 N 1.55 2.06 0.26 -0.34 -4.23 -1.03 -0.16 115.64 113.75 1i6h s THR 77 Ca -0.01 -2.25 -0.31 0.00 -1.18 0.00 0.00 61.69 57.95 1i6h s THR 77 Cb -0.13 -2.36 -0.13 0.00 1.34 0.00 0.00 72.50 71.21 1i6h s THR 77 CO -0.04 -0.37 1.41 0.41 -0.54 0.00 0.00 174.62 175.49 1i6h n THR 78 N -0.60 1.10 -1.17 3.99 -1.04 0.11 -4.79 114.28 111.88 1i6h n THR 78 Ca -0.06 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.26 1i6h n THR 78 Cb 0.62 -1.54 -0.03 0.00 -1.82 0.00 0.00 70.33 67.56 1i6h n THR 78 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1i6h n GLU 79 N 1.85 0.00 0.00 -2.82 2.13 -1.26 -0.03 120.64 120.51 1i6h n GLU 79 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1i6h n GLU 79 Cb 0.33 -0.92 0.00 0.00 0.27 0.00 0.00 31.44 31.12 1i6h n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i6h n GLY 80 N 1.55 3.00 3.60 8.31 0.00 -1.26 -4.99 105.19 115.40 1i6h n GLY 80 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1i6h n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i6h s TYR 81 N -1.68 3.23 -0.17 1.61 6.04 0.95 -5.06 117.35 122.28 1i6h s TYR 81 Ca 0.00 0.20 -0.25 0.00 0.04 0.00 0.00 57.07 57.06 1i6h s TYR 81 Cb 0.00 -2.42 -0.02 0.00 -1.04 0.00 0.00 41.96 38.48 1i6h s TYR 81 CO 0.00 -0.17 0.81 0.34 -1.54 0.00 0.00 175.55 174.99 1i6h s ASP 82 N 1.71 6.93 0.38 4.32 -1.08 -1.26 -4.54 116.67 123.12 1i6h s ASP 82 Ca 0.09 1.14 0.10 0.00 -0.52 0.00 0.00 52.55 53.36 1i6h s ASP 82 Cb -0.16 -2.44 0.88 0.00 -1.46 0.00 0.00 42.92 39.73 1i6h s ASP 82 CO 0.11 -0.39 1.91 1.55 0.52 0.00 0.00 175.17 178.87 1i6h h PRO 83 N 7.35 0.60 -0.84 4.34 0.13 -1.92 0.39 132.00 142.04 1i6h h PRO 83 Ca -0.29 -0.04 0.16 0.00 -0.87 0.00 0.00 66.00 64.96 1i6h h PRO 83 Cb 1.13 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.06 1i6h h PRO 83 CO 0.83 0.40 0.55 0.87 -0.23 0.00 0.00 178.00 180.42 1i6h h LYS 84 N 0.62 0.52 -0.13 0.86 1.57 -1.98 1.95 116.57 119.98 1i6h h LYS 84 Ca 0.39 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 59.01 1i6h h LYS 84 Cb 0.65 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1i6h h LYS 84 CO -0.15 0.35 -0.43 -0.44 -0.57 0.00 0.00 179.45 178.20 1i6h h ASP 85 N 0.54 0.60 -0.19 0.86 3.32 -0.69 0.13 116.42 120.99 1i6h h ASP 85 Ca 0.42 -0.61 0.06 0.00 0.02 0.00 0.00 57.03 56.92 1i6h h ASP 85 Cb 0.85 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1i6h h ASP 85 CO -0.17 1.10 0.16 0.00 -1.72 0.00 0.00 179.24 178.61 1i6h h ALA 86 N 0.51 2.02 0.00 3.45 0.00 0.16 0.69 119.26 126.10 1i6h h ALA 86 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i6h h ALA 86 Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1i6h h ALA 86 CO 0.09 -0.26 -0.00 1.25 0.00 0.00 0.00 179.25 180.33 1i6h h LEU 87 N 0.00 -0.00 -0.07 0.00 5.85 0.32 -3.11 115.31 118.30 1i6h h LEU 87 Ca 0.09 -0.95 0.01 0.00 0.84 0.00 0.00 57.88 57.88 1i6h h LEU 87 Cb 0.41 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1i6h h LEU 87 CO -0.00 0.96 -0.22 0.11 -0.34 0.00 0.00 178.44 178.94 1i6h h LYS 88 N -0.97 -0.22 -0.95 1.25 1.57 0.22 -1.17 116.57 116.30 1i6h h LYS 88 Ca -0.00 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1i6h h LYS 88 Cb 0.95 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 33.17 1i6h h LYS 88 CO 0.00 -0.15 -0.45 -0.91 -0.57 0.00 0.00 179.45 177.37 1i6h h ASN 89 N -0.23 -1.65 -0.23 0.86 2.35 -1.05 -0.53 115.58 115.10 1i6h h ASN 89 Ca 0.01 0.31 0.06 0.00 -0.55 0.00 0.00 56.30 56.13 1i6h h ASN 89 Cb 0.27 0.81 -0.07 0.00 0.05 0.00 0.00 38.32 39.38 1i6h h ASN 89 CO -0.19 -0.28 -0.31 0.00 -1.65 0.00 0.00 177.43 175.01 1i6h h ALA 90 N 1.06 -0.27 -0.89 -0.83 0.00 -1.34 0.17 119.26 117.15 1i6h h ALA 90 Ca 0.28 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.36 1i6h h ALA 90 Cb 0.54 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1i6h h ALA 90 CO -0.94 -0.75 0.52 0.00 0.00 0.00 0.00 179.25 178.07 1i6h h ASN 92 N 0.81 -0.33 -1.47 0.00 2.35 -0.40 -0.29 115.58 116.24 1i6h h ASN 92 Ca 0.45 0.01 0.49 0.00 -0.55 0.00 0.00 56.30 56.70 1i6h h ASN 92 Cb 0.50 0.09 -0.12 0.00 0.05 0.00 0.00 38.32 38.83 1i6h h ASN 92 CO -0.29 -0.21 0.98 -0.24 -1.65 0.00 0.00 177.43 176.02 1i6h n SER 93 N -3.22 0.16 -0.02 5.81 2.88 0.47 0.12 113.62 119.82 1i6h n SER 93 Ca -0.05 1.28 -0.13 0.00 -1.33 0.00 0.00 58.87 58.64 1i6h n SER 93 Cb 0.15 -0.63 -0.10 0.00 -0.75 0.00 0.00 64.21 62.89 1i6h n SER 93 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1i6h h ILE 94 N 0.00 1.40 -0.18 2.46 2.04 -0.75 -2.26 117.51 120.22 1i6h h ILE 94 Ca 0.88 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1i6h h ILE 94 Cb 2.97 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 41.22 1i6h h ILE 94 CO -0.37 0.32 0.12 0.40 0.00 0.00 0.00 178.15 178.62 1i6h h ILE 95 N -0.44 1.04 0.16 -0.67 2.04 0.27 -0.70 117.51 119.21 1i6h h ILE 95 Ca 0.00 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1i6h h ILE 95 Cb 0.54 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1i6h h ILE 95 CO 0.01 0.04 -0.46 0.78 0.00 0.00 0.00 178.15 178.52 1i6h h ASN 96 N 0.24 -1.35 -0.73 1.72 2.35 -0.82 0.51 115.58 117.50 1i6h h ASN 96 Ca 0.07 0.14 0.16 0.00 -0.55 0.00 0.00 56.30 56.12 1i6h h ASN 96 Cb -0.03 0.49 -0.12 0.00 0.05 0.00 0.00 38.32 38.72 1i6h h ASN 96 CO -0.02 -0.50 0.09 0.11 -1.65 0.00 0.00 177.43 175.46 1i6h h LYS 97 N -0.69 0.17 0.15 0.81 1.57 -1.30 -0.15 116.57 117.14 1i6h h LYS 97 Ca -0.01 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1i6h h LYS 97 Cb 0.67 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 1i6h h LYS 97 CO -0.22 0.11 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.38 1i6h h LEU 98 N 0.18 -0.95 -0.30 2.94 3.38 0.51 0.90 115.31 121.97 1i6h h LEU 98 Ca 0.41 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.53 1i6h h LEU 98 Cb 0.71 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 1i6h h LEU 98 CO -0.58 -0.43 -0.50 1.23 0.09 0.00 0.00 178.44 178.26 1i6h h GLY 99 N -0.58 -0.85 -0.70 0.83 0.00 0.12 0.11 103.07 102.00 1i6h h GLY 99 Ca 0.02 0.63 0.06 0.00 0.00 0.00 0.00 47.33 48.05 1i6h h GLY 99 CO -0.17 -0.17 -0.41 0.00 0.00 0.00 0.00 176.54 175.78 1i6h n ALA 100 N -3.04 -0.45 -0.32 3.60 0.00 -0.19 0.11 120.51 120.22 1i6h n ALA 100 Ca -0.03 0.60 0.12 0.00 0.00 0.00 0.00 53.44 54.12 1i6h n ALA 100 Cb 0.36 0.04 0.29 0.00 0.00 0.00 0.00 19.45 20.15 1i6h n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i6h h LEU 101 N 0.00 0.60 -0.08 0.00 6.46 0.17 0.49 115.31 122.95 1i6h h LEU 101 Ca 0.11 0.11 0.04 0.00 -0.12 0.00 0.00 57.88 58.02 1i6h h LEU 101 Cb 0.29 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 1i6h h LEU 101 CO -0.66 0.18 -0.17 0.50 -0.62 0.00 0.00 178.44 177.68 1i6h h LYS 102 N 0.63 -0.22 0.00 1.25 3.64 0.33 -1.54 116.57 120.66 1i6h h LYS 102 Ca 0.55 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1i6h h LYS 102 Cb 0.89 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1i6h h LYS 102 CO -0.42 -0.15 0.00 2.41 -2.27 0.00 0.00 179.45 179.03 1i6h n THR 103 N -5.30 0.00 -0.53 1.00 -1.04 0.06 -1.73 114.28 106.74 1i6h n THR 103 Ca -0.04 1.38 0.43 0.00 -2.04 0.00 0.00 64.05 63.78 1i6h n THR 103 Cb 0.22 -2.34 0.70 0.00 -1.82 0.00 0.00 70.33 67.09 1i6h n THR 103 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1i6h n ASN 104 N -1.71 0.14 0.02 8.00 3.02 -0.60 0.16 115.26 124.28 1i6h n ASN 104 Ca 0.00 1.22 -0.12 0.00 -0.03 0.00 0.00 54.58 55.64 1i6h n ASN 104 Cb 0.00 -0.60 -0.09 0.00 -0.61 0.00 0.00 39.78 38.48 1i6h n ASN 104 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1i6h h PHE 105 N 0.00 -0.09 -0.53 3.10 3.57 -1.13 -2.45 116.94 119.40 1i6h h PHE 105 Ca 0.87 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.45 1i6h h PHE 105 Cb 3.02 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 41.76 1i6h h PHE 105 CO -0.00 0.40 0.36 0.93 -2.23 0.00 0.00 178.31 177.77 1i6h h GLU 106 N -0.66 0.36 0.00 1.11 5.08 0.23 0.53 114.58 121.24 1i6h h GLU 106 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1i6h h GLU 106 Cb 0.54 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1i6h h GLU 106 CO 0.02 0.24 0.00 2.41 -1.00 0.00 0.00 179.01 180.68 1i6h n THR 107 N -4.47 0.00 -0.32 1.13 -1.04 0.42 -2.58 114.28 107.42 1i6h n THR 107 Ca 0.08 1.04 0.06 0.00 -2.04 0.00 0.00 64.05 63.19 1i6h n THR 107 Cb 0.33 -1.96 0.14 0.00 -1.82 0.00 0.00 70.33 67.01 1i6h n THR 107 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1i6h n GLU 108 N -0.92 -0.08 -0.14 -2.82 -0.58 -0.93 0.11 120.64 115.28 1i6h n GLU 108 Ca 0.00 1.40 0.27 0.00 -0.42 0.00 0.00 57.16 58.41 1i6h n GLU 108 Cb 0.00 -2.10 0.72 0.00 -0.57 0.00 0.00 31.44 29.49 1i6h n GLU 108 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 1i6h h TRP 109 N 0.00 0.00 0.00 -0.32 2.91 0.08 -0.04 115.95 118.58 1i6h h TRP 109 Ca 0.44 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 60.33 1i6h h TRP 109 Cb 0.69 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.32 1i6h h TRP 109 CO -0.67 0.00 -0.74 -0.91 -1.03 0.00 0.00 178.44 175.09 1i6h h ASN 110 N 0.00 0.00 0.78 2.65 2.35 0.11 -3.11 115.58 118.36 1i6h h ASN 110 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 1i6h h ASN 110 Cb 1.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.98 1i6h h ASN 110 CO -0.00 0.59 0.00 0.18 -1.65 0.00 0.00 177.43 176.55 1i6h n LEU 111 N -3.19 0.00 -4.78 1.61 4.77 -0.05 -4.82 117.00 110.55 1i6h n LEU 111 Ca -0.00 0.45 -0.37 0.00 -0.03 0.00 0.00 56.01 56.05 1i6h n LEU 111 Cb 0.79 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1i6h n LEU 111 CO 0.42 -0.06 0.67 -1.10 -1.33 0.00 0.00 177.39 176.00 1i6h s GLN 112 N -2.89 4.52 -0.18 3.23 -1.52 -1.10 -5.06 119.66 116.66 1i6h s GLN 112 Ca 0.15 1.39 -0.02 0.00 -1.95 0.00 0.00 55.36 54.93 1i6h s GLN 112 Cb 0.17 -2.78 -0.01 0.00 -0.22 0.00 0.00 33.01 30.17 1i6h s GLN 112 CO 0.45 0.21 -0.10 0.99 -0.25 0.00 0.00 175.29 176.59 1i6h s THR 113 N -1.60 3.05 0.00 -0.19 2.01 -1.26 -5.06 115.64 112.59 1i6h s THR 113 Ca 0.51 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1i6h s THR 113 Cb -0.20 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 69.98 1i6h s THR 113 CO 0.25 0.48 0.00 -0.11 -0.69 0.00 0.00 174.62 174.55