#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8b h ASP 9 N 0.00 0.00 -0.59 4.39 3.45 -2.04 -2.86 116.42 118.78 1u8b h ASP 9 Ca 0.00 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.37 1u8b h ASP 9 Cb 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 1u8b h ASP 9 CO 0.00 0.30 0.00 0.44 -1.57 0.00 0.00 179.24 178.41 1u8b h ASP 10 N 0.00 1.02 -0.70 6.45 5.19 -2.05 0.46 116.42 126.78 1u8b h ASP 10 Ca -0.00 -0.31 -0.06 0.00 -0.62 0.00 0.00 57.03 56.04 1u8b h ASP 10 Cb 0.70 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 1u8b h ASP 10 CO 0.04 1.08 0.22 -0.61 -3.12 0.00 0.00 179.24 176.84 1u8b h GLN 11 N 0.93 1.11 -0.30 3.56 4.15 -1.96 -0.72 115.11 121.88 1u8b h GLN 11 Ca 0.17 -0.24 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 1u8b h GLN 11 Cb 0.55 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1u8b h GLN 11 CO 0.03 0.95 -0.06 0.00 -1.93 0.00 0.00 178.83 177.82 1u8b h ARG 12 N 1.07 0.49 -0.48 1.69 3.08 -1.16 -2.21 114.38 116.86 1u8b h ARG 12 Ca 0.23 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 1u8b h ARG 12 Cb 0.31 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1u8b h ARG 12 CO -0.01 0.56 0.08 2.35 -1.07 0.00 0.00 179.97 181.89 1u8b h TRP 13 N 0.46 0.83 -0.19 3.04 -0.00 0.10 -1.98 115.95 118.21 1u8b h TRP 13 Ca 0.09 -0.11 -0.04 0.00 -0.00 0.00 0.00 58.89 58.82 1u8b h TRP 13 Cb 0.40 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.32 1u8b h TRP 13 CO 0.01 0.77 -0.08 1.96 -0.00 0.00 0.00 178.44 181.10 1u8b h GLN 14 N 0.66 0.29 -0.51 2.65 1.08 -0.74 -0.01 115.11 118.53 1u8b h GLN 14 Ca 0.15 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.24 1u8b h GLN 14 Cb 0.38 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1u8b h GLN 14 CO 0.01 0.39 0.13 0.77 -0.95 0.00 0.00 178.83 179.18 1u8b h SER 15 N 0.28 0.76 -0.09 1.46 0.02 -0.85 -1.47 113.55 113.67 1u8b h SER 15 Ca 0.06 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1u8b h SER 15 Cb 0.33 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1u8b h SER 15 CO 0.02 0.79 0.03 0.58 -1.14 0.00 0.00 176.83 177.10 1u8b h VAL 16 N 0.70 1.18 -0.47 2.27 2.07 -0.54 -0.31 116.25 121.15 1u8b h VAL 16 Ca 0.16 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1u8b h VAL 16 Cb 0.32 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1u8b h VAL 16 CO 0.00 0.15 0.31 -0.07 0.02 0.00 0.00 177.57 177.99 1u8b h LEU 17 N -0.04 0.47 0.00 2.57 3.38 -0.98 0.53 115.31 121.24 1u8b h LEU 17 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1u8b h LEU 17 Cb 0.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1u8b h LEU 17 CO -0.00 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.86 1u8b n ALA 18 N -2.48 2.32 -4.14 1.53 0.00 -0.56 -4.89 120.51 112.30 1u8b n ALA 18 Ca 0.05 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 1u8b n ALA 18 Cb 0.13 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 1u8b n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u8b n ARG 19 N -1.36 -3.53 -2.31 0.00 1.74 0.19 -4.85 116.66 106.54 1u8b n ARG 19 Ca 0.11 0.41 -0.43 0.00 -0.77 0.00 0.00 57.85 57.17 1u8b n ARG 19 Cb 0.25 -5.06 -0.02 0.00 -1.02 0.00 0.00 32.46 26.61 1u8b n ARG 19 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1u8b s ASP 20 N -3.47 6.56 0.43 0.55 3.68 -0.79 -4.41 116.67 119.22 1u8b s ASP 20 Ca 0.61 1.35 0.12 0.00 2.13 0.00 0.00 52.55 56.76 1u8b s ASP 20 Cb -0.33 -2.54 0.94 0.00 -1.45 0.00 0.00 42.92 39.54 1u8b s ASP 20 CO 0.91 -1.15 1.99 -0.65 0.13 0.00 0.00 175.17 176.39 1u8b h PRO 21 N 9.85 0.14 0.00 4.34 0.11 -1.90 -1.43 132.00 143.12 1u8b h PRO 21 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1u8b h PRO 21 Cb 1.12 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1u8b h PRO 21 CO 1.02 0.25 0.04 -0.91 -0.21 0.00 0.00 178.00 178.19 1u8b h ASN 22 N 0.14 0.00 1.13 -2.05 4.21 -1.99 -0.51 115.58 116.51 1u8b h ASN 22 Ca 0.03 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.51 1u8b h ASN 22 Cb 0.26 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1u8b h ASN 22 CO 0.01 0.00 -0.89 0.00 -1.29 0.00 0.00 177.43 175.27 1u8b h ALA 23 N 1.92 0.61 -2.62 -0.83 0.00 -1.65 -3.45 119.26 113.23 1u8b h ALA 23 Ca 0.00 -0.14 -0.56 0.00 0.00 0.00 0.00 54.91 54.21 1u8b h ALA 23 Cb 0.07 0.04 0.11 0.00 0.00 0.00 0.00 17.79 18.01 1u8b h ALA 23 CO 0.00 0.16 0.58 -0.25 0.00 0.00 0.00 179.25 179.74 1u8b n ASP 24 N -2.80 3.02 0.00 0.00 8.00 -0.20 -1.31 116.55 123.27 1u8b n ASP 24 Ca -0.01 1.21 0.00 0.00 0.71 0.00 0.00 54.79 56.70 1u8b n ASP 24 Cb 0.60 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1u8b n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8b n GLY 25 N 0.74 2.37 0.27 0.44 0.00 -1.26 -4.79 105.19 102.96 1u8b n GLY 25 Ca 0.04 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.54 1u8b n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u8b h GLU 26 N 0.00 0.44 -2.55 1.61 4.39 -1.51 -3.47 114.58 113.48 1u8b h GLU 26 Ca 0.00 -0.09 0.15 0.00 0.34 0.00 0.00 59.36 59.77 1u8b h GLU 26 Cb 0.00 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1u8b h GLU 26 CO 0.00 0.47 0.57 -0.59 -1.16 0.00 0.00 179.01 178.30 1u8b s PHE 27 N -4.95 0.06 -0.01 4.33 -0.12 -1.24 -4.84 117.98 111.21 1u8b s PHE 27 Ca -0.07 -0.47 -0.02 0.00 -0.05 0.00 0.00 56.93 56.31 1u8b s PHE 27 Cb 0.16 0.71 0.00 0.00 -0.63 0.00 0.00 43.02 43.25 1u8b s PHE 27 CO 0.75 -0.95 0.05 0.54 -0.05 0.00 0.00 175.22 175.56 1u8b s VAL 28 N -2.23 0.03 0.15 -2.49 0.11 0.08 -4.57 120.40 111.48 1u8b s VAL 28 Ca 0.21 -0.21 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 1u8b s VAL 28 Cb -0.03 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 1u8b s VAL 28 CO 0.05 -0.11 -0.02 0.72 -3.33 0.00 0.00 175.10 172.41 1u8b s PHE 29 N -0.34 2.85 0.06 1.54 -0.71 -1.26 -0.82 117.98 119.31 1u8b s PHE 29 Ca -0.04 -0.12 0.07 0.00 -1.04 0.00 0.00 56.93 55.80 1u8b s PHE 29 Cb -0.03 -1.41 -0.03 0.00 -1.21 0.00 0.00 43.02 40.34 1u8b s PHE 29 CO 0.00 0.50 -0.18 0.00 -1.34 0.00 0.00 175.22 174.20 1u8b s ALA 30 N -1.58 1.54 -0.30 1.99 0.00 0.68 -4.29 121.76 119.81 1u8b s ALA 30 Ca 0.26 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1u8b s ALA 30 Cb -0.10 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.83 1u8b s ALA 30 CO 0.18 0.31 -0.01 0.08 0.00 0.00 0.00 175.76 176.32 1u8b s VAL 31 N -0.99 2.97 0.55 0.00 1.01 -0.65 -1.12 120.40 122.17 1u8b s VAL 31 Ca 0.04 -1.36 0.23 0.00 0.00 0.00 0.00 61.98 60.90 1u8b s VAL 31 Cb -0.09 -2.69 0.33 0.00 0.00 0.00 0.00 36.38 33.93 1u8b s VAL 31 CO 0.02 -0.08 2.14 0.08 0.00 0.00 0.00 175.10 177.27 1u8b h ARG 32 N 8.00 0.00 0.00 2.72 0.11 -1.57 0.40 114.38 124.04 1u8b h ARG 32 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1u8b h ARG 32 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 1u8b h ARG 32 CO 0.53 0.00 0.00 1.79 0.10 0.00 0.00 179.97 182.39 1u8b h THR 33 N 0.00 0.00 0.00 0.08 1.35 -1.95 -3.30 112.91 109.09 1u8b h THR 33 Ca 0.06 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1u8b h THR 33 Cb 0.25 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1u8b h THR 33 CO -0.00 0.00 -1.02 0.35 -0.25 0.00 0.00 175.52 174.60 1u8b n THR 34 N -2.60 0.00 -2.04 6.82 -2.24 -0.54 -5.01 114.28 108.67 1u8b n THR 34 Ca 0.04 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 1u8b n THR 34 Cb 0.39 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 1u8b n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u8b n GLY 35 N 2.30 0.30 3.45 3.38 0.00 0.13 -4.97 105.19 109.78 1u8b n GLY 35 Ca -0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1u8b n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u8b s ILE 36 N -2.73 2.60 0.31 -0.61 1.01 -1.24 -1.34 121.20 119.21 1u8b s ILE 36 Ca 0.00 -1.59 0.05 0.00 0.00 0.00 0.00 60.65 59.11 1u8b s ILE 36 Cb 0.00 -2.17 -0.06 0.00 0.01 0.00 0.00 42.46 40.23 1u8b s ILE 36 CO 0.00 0.11 0.02 0.72 0.00 0.00 0.00 174.94 175.80 1u8b s PHE 37 N -1.10 1.97 0.06 3.97 -0.71 -0.93 -1.63 117.98 119.61 1u8b s PHE 37 Ca 0.16 -0.88 0.04 0.00 -1.04 0.00 0.00 56.93 55.21 1u8b s PHE 37 Cb -0.10 -1.25 -0.04 0.00 -1.21 0.00 0.00 43.02 40.41 1u8b s PHE 37 CO 0.08 0.10 0.00 1.03 -1.34 0.00 0.00 175.22 175.09 1u8b s ARG 39 N -3.84 2.64 0.58 1.99 0.52 -1.26 -1.83 118.95 117.75 1u8b s ARG 39 Ca 0.34 -0.75 0.31 0.00 -0.52 0.00 0.00 55.73 55.11 1u8b s ARG 39 Cb 0.08 -2.59 1.39 0.00 0.52 0.00 0.00 34.95 34.34 1u8b s ARG 39 CO 0.14 0.57 1.73 -1.35 0.02 0.00 0.00 175.30 176.41 1u8b h PRO 40 N 3.75 0.00 -0.65 3.54 0.11 -1.87 -0.58 132.00 136.30 1u8b h PRO 40 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u8b h PRO 40 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1u8b h PRO 40 CO 0.59 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.25 1u8b n SER 41 N -3.75 4.22 -4.72 -2.05 3.41 -1.26 -3.86 113.62 105.62 1u8b n SER 41 Ca 0.18 -2.33 -0.42 0.00 -0.26 0.00 0.00 58.87 56.04 1u8b n SER 41 Cb 1.08 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 1u8b n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8b n ARG 43 N 4.10 0.24 -2.19 0.00 5.12 -1.26 -4.85 116.66 117.83 1u8b n ARG 43 Ca 0.16 0.12 -0.38 0.00 -1.93 0.00 0.00 57.85 55.82 1u8b n ARG 43 Cb 0.36 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.15 1u8b n ARG 43 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u8b s ALA 44 N -2.43 3.14 0.53 7.54 0.00 -1.26 -4.95 121.76 124.34 1u8b s ALA 44 Ca 0.14 1.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.97 1u8b s ALA 44 Cb 0.09 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 1u8b s ALA 44 CO 0.19 -0.68 0.77 2.89 0.00 0.00 0.00 175.76 178.93 1u8b n ARG 45 N -0.04 0.83 -1.85 0.00 1.85 -1.26 -4.91 116.66 111.29 1u8b n ARG 45 Ca 0.05 0.31 -0.31 0.00 -1.00 0.00 0.00 57.85 56.90 1u8b n ARG 45 Cb 0.46 -1.90 0.02 0.00 -1.05 0.00 0.00 32.46 29.99 1u8b n ARG 45 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1u8b s HIS 46 N -1.53 3.53 0.51 2.89 3.76 -1.26 -5.09 115.29 118.11 1u8b s HIS 46 Ca 0.69 1.25 0.09 0.00 -0.15 0.00 0.00 55.06 56.94 1u8b s HIS 46 Cb -0.48 -2.80 0.05 0.00 1.11 0.00 0.00 32.58 30.46 1u8b s HIS 46 CO 0.53 -0.83 0.68 0.00 -0.85 0.00 0.00 174.74 174.27 1u8b s ALA 47 N -3.20 4.61 0.08 -1.40 0.00 -1.26 -5.07 121.76 115.52 1u8b s ALA 47 Ca 0.56 -1.93 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 1u8b s ALA 47 Cb -0.11 -1.46 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 1u8b s ALA 47 CO 0.54 -0.62 1.04 -0.51 0.00 0.00 0.00 175.76 176.21 1u8b s LEU 48 N -4.52 4.43 0.23 0.00 1.43 -1.26 -4.93 118.68 114.07 1u8b s LEU 48 Ca 0.57 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 1u8b s LEU 48 Cb -0.07 -3.58 0.31 0.00 0.03 0.00 0.00 46.19 42.88 1u8b s LEU 48 CO 0.36 -0.23 1.41 -1.14 0.23 0.00 0.00 176.35 176.97 1u8b n ARG 49 N 3.26 -0.15 0.06 1.70 3.00 -1.26 0.79 116.66 124.06 1u8b n ARG 49 Ca 0.05 1.40 0.03 0.00 -0.00 0.00 0.00 57.85 59.33 1u8b n ARG 49 Cb 0.49 -2.09 0.17 0.00 0.00 0.00 0.00 32.46 31.03 1u8b n ARG 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1u8b n GLU 50 N -5.40 0.04 0.00 -0.14 0.28 -1.26 -0.63 120.64 113.53 1u8b n GLU 50 Ca 0.12 0.46 0.08 0.00 -0.16 0.00 0.00 57.16 57.66 1u8b n GLU 50 Cb 0.41 -1.79 -0.06 0.00 1.43 0.00 0.00 31.44 31.42 1u8b n GLU 50 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1u8b n ASN 51 N -1.67 1.10 -4.91 -1.84 3.02 0.24 -5.00 115.26 106.20 1u8b n ASN 51 Ca -0.00 -1.05 -0.31 0.00 -0.03 0.00 0.00 54.58 53.19 1u8b n ASN 51 Cb 0.16 0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 40.11 1u8b n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1u8b s VAL 52 N -2.38 5.21 0.10 2.41 1.01 0.20 -1.46 120.40 125.49 1u8b s VAL 52 Ca 0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 1u8b s VAL 52 Cb 0.13 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1u8b s VAL 52 CO 0.60 0.02 0.16 -0.94 0.00 0.00 0.00 175.10 174.94 1u8b s SER 53 N -2.58 0.18 0.11 3.32 1.04 -0.27 -4.96 113.70 110.53 1u8b s SER 53 Ca 0.39 -0.77 0.09 0.00 0.48 0.00 0.00 55.95 56.15 1u8b s SER 53 Cb -0.12 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1u8b s SER 53 CO 0.26 -0.73 -0.23 -0.36 0.98 0.00 0.00 173.24 173.16 1u8b s PHE 54 N -3.90 1.99 -0.00 5.02 0.40 -1.26 -0.23 117.98 120.00 1u8b s PHE 54 Ca 0.08 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1u8b s PHE 54 Cb 0.05 -1.08 -0.00 0.00 0.51 0.00 0.00 43.02 42.49 1u8b s PHE 54 CO -0.09 0.25 -0.06 0.71 0.70 0.00 0.00 175.22 176.74 1u8b s TYR 55 N -1.12 0.53 0.66 0.36 1.51 -0.00 -4.98 117.35 114.31 1u8b s TYR 55 Ca 0.09 -0.10 0.44 0.00 -1.01 0.00 0.00 57.07 56.49 1u8b s TYR 55 Cb -0.10 -0.34 2.40 0.00 -0.11 0.00 0.00 41.96 43.81 1u8b s TYR 55 CO 0.05 -0.01 2.35 0.00 -1.11 0.00 0.00 175.55 176.83 1u8b h ALA 56 N 5.99 1.02 -1.99 3.71 0.00 -1.89 0.27 119.26 126.37 1u8b h ALA 56 Ca -0.28 0.00 0.21 0.00 0.00 0.00 0.00 54.91 54.84 1u8b h ALA 56 Cb 1.19 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1u8b h ALA 56 CO 0.50 -0.02 0.62 0.54 0.00 0.00 0.00 179.25 180.89 1u8b s ASN 57 N -5.11 -0.18 0.06 0.00 2.20 -1.26 -4.27 114.94 106.38 1u8b s ASN 57 Ca -0.05 -0.20 -0.18 0.00 -0.94 0.00 0.00 52.86 51.49 1u8b s ASN 57 Cb 0.13 0.34 -0.07 0.00 -2.00 0.00 0.00 41.25 39.65 1u8b s ASN 57 CO 0.40 -0.61 1.29 0.00 -2.94 0.00 0.00 177.10 175.24 1u8b h ALA 58 N 2.00 -0.73 -0.26 3.54 0.00 -1.87 -2.69 119.26 119.25 1u8b h ALA 58 Ca -0.24 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1u8b h ALA 58 Cb 1.22 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 1u8b h ALA 58 CO 0.27 -0.81 -0.16 -1.13 0.00 0.00 0.00 179.25 177.42 1u8b n SER 59 N -4.03 -0.28 -0.28 0.00 3.41 -1.26 0.35 113.62 111.53 1u8b n SER 59 Ca -0.04 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 1u8b n SER 59 Cb 0.20 -0.10 0.31 0.00 -0.26 0.00 0.00 64.21 64.36 1u8b n SER 59 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1u8b h GLU 60 N 0.00 0.83 0.48 4.33 5.08 -1.92 -0.03 114.58 123.35 1u8b h GLU 60 Ca 0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1u8b h GLU 60 Cb 0.11 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1u8b h GLU 60 CO -0.25 0.55 -0.23 0.00 -1.00 0.00 0.00 179.01 178.08 1u8b h ALA 61 N 1.56 -0.64 -0.09 3.43 0.00 0.62 -1.46 119.26 122.69 1u8b h ALA 61 Ca 0.41 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1u8b h ALA 61 Cb 0.43 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1u8b h ALA 61 CO -0.18 -0.84 -0.41 -0.07 0.00 0.00 0.00 179.25 177.76 1u8b h LEU 62 N -0.69 -1.28 -1.43 0.00 -0.00 -0.49 0.28 115.31 111.70 1u8b h LEU 62 Ca -0.07 0.17 0.43 0.00 -0.00 0.00 0.00 57.88 58.41 1u8b h LEU 62 Cb 0.52 0.51 -0.12 0.00 -0.00 0.00 0.00 40.66 41.57 1u8b h LEU 62 CO 0.11 -0.43 0.86 0.00 -0.00 0.00 0.00 178.44 178.97 1u8b h ALA 63 N 0.09 2.75 -0.36 1.53 0.00 -0.81 1.08 119.26 123.54 1u8b h ALA 63 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1u8b h ALA 63 Cb 0.63 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1u8b h ALA 63 CO -0.37 -1.36 0.00 0.00 0.00 0.00 0.00 179.25 177.52 1u8b n ALA 64 N -2.53 2.48 -0.93 0.00 0.00 0.95 -4.92 120.51 115.55 1u8b n ALA 64 Ca 0.37 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1u8b n ALA 64 Cb 1.42 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1u8b n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8b n GLY 65 N 1.04 0.62 3.46 0.00 0.00 0.37 -5.06 105.19 105.62 1u8b n GLY 65 Ca 0.12 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1u8b n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u8b s PHE 66 N -2.00 2.89 0.10 1.61 0.08 -1.11 -4.91 117.98 114.65 1u8b s PHE 66 Ca 0.00 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 56.68 1u8b s PHE 66 Cb 0.00 -1.83 -0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1u8b s PHE 66 CO 0.00 -0.01 0.29 -0.98 -0.10 0.00 0.00 175.22 174.41 1u8b s ARG 67 N 0.03 3.51 0.61 0.44 1.04 -0.45 -3.79 118.95 120.33 1u8b s ARG 67 Ca -0.02 -0.32 -0.19 0.00 -1.04 0.00 0.00 55.73 54.16 1u8b s ARG 67 Cb -0.14 -2.95 -0.03 0.00 -2.04 0.00 0.00 34.95 29.79 1u8b s ARG 67 CO 0.04 0.54 1.28 -1.25 -0.04 0.00 0.00 175.30 175.87 1u8b s PRO 68 N -2.66 2.81 0.46 3.89 0.04 -1.26 -2.20 135.00 136.08 1u8b s PRO 68 Ca 0.37 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.21 1u8b s PRO 68 Cb -0.12 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1u8b s PRO 68 CO 0.27 -1.39 1.20 0.00 0.04 0.00 0.00 177.00 177.12 1u8b n LYS 70 N -0.47 1.63 -0.02 0.00 5.02 -1.26 -3.18 118.16 119.87 1u8b n LYS 70 Ca 0.07 -0.96 -0.02 0.00 -2.02 0.00 0.00 58.31 55.38 1u8b n LYS 70 Cb 0.47 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 1u8b n LYS 70 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1u8b n ARG 71 N 0.22 2.96 0.00 1.97 1.74 -1.26 -4.75 116.66 117.54 1u8b n ARG 71 Ca 0.13 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.25 1u8b n ARG 71 Cb 0.26 -1.11 0.01 0.00 -1.02 0.00 0.00 32.46 30.60 1u8b n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u8b n GLN 73 N -0.12 -1.37 0.00 0.00 3.00 -1.19 -4.82 117.38 112.88 1u8b n GLN 73 Ca 0.04 0.68 0.15 0.00 -0.01 0.00 0.00 57.00 57.86 1u8b n GLN 73 Cb 0.19 -2.38 0.89 0.00 0.00 0.00 0.00 30.24 28.94 1u8b n GLN 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1u8b n PRO 74 N -2.95 0.95 0.04 -1.09 -0.04 -1.26 -3.17 135.00 127.49 1u8b n PRO 74 Ca -0.29 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.29 1u8b n PRO 74 Cb 0.67 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.68 1u8b n PRO 74 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1u8b n ASP 75 N -0.99 0.63 -4.90 3.54 3.85 -1.26 -4.56 116.55 112.85 1u8b n ASP 75 Ca 0.22 -0.04 -0.33 0.00 -0.71 0.00 0.00 54.79 53.94 1u8b n ASP 75 Cb 0.10 0.69 -0.05 0.00 -1.35 0.00 0.00 41.12 40.51 1u8b n ASP 75 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1u8b s LYS 76 N -3.24 3.55 1.16 0.11 1.02 -1.19 -5.00 119.74 116.14 1u8b s LYS 76 Ca 0.03 -0.19 -0.17 0.00 0.02 0.00 0.00 55.97 55.66 1u8b s LYS 76 Cb 0.13 -3.00 0.26 0.00 -0.52 0.00 0.00 37.83 34.71 1u8b s LYS 76 CO 0.79 0.58 1.08 0.00 -0.92 0.00 0.00 175.35 176.88 1u8b s ALA 77 N -1.47 0.44 -0.07 5.17 0.00 -1.26 -4.90 121.76 119.66 1u8b s ALA 77 Ca 0.34 -0.66 -0.34 0.00 0.00 0.00 0.00 51.96 51.30 1u8b s ALA 77 Cb -0.13 -3.01 -0.12 0.00 0.00 0.00 0.00 23.12 19.87 1u8b s ALA 77 CO 0.22 -3.49 1.88 0.27 0.00 0.00 0.00 175.76 174.65 1u8b n ASN 78 N -4.68 3.50 -0.04 0.00 6.94 -1.26 -4.85 115.26 114.86 1u8b n ASN 78 Ca 0.09 0.97 0.23 0.00 -0.02 0.00 0.00 54.58 55.85 1u8b n ASN 78 Cb 0.58 -1.38 0.71 0.00 -2.36 0.00 0.00 39.78 37.32 1u8b n ASN 78 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 1u8b h PRO 79 N 9.22 0.00 0.00 -0.53 0.11 -1.99 -3.33 132.00 135.47 1u8b h PRO 79 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u8b h PRO 79 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1u8b h PRO 79 CO 0.95 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 181.63 1u8b n ARG 80 N -4.29 0.00 -0.05 1.05 0.00 -1.26 -0.49 116.66 111.61 1u8b n ARG 80 Ca 0.12 0.17 -0.08 0.00 -0.00 0.00 0.00 57.85 58.06 1u8b n ARG 80 Cb 0.70 -0.28 -0.02 0.00 -0.00 0.00 0.00 32.46 32.86 1u8b n ARG 80 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1u8b h GLN 81 N 0.00 0.07 -0.42 2.89 5.75 -1.99 -1.69 115.11 119.71 1u8b h GLN 81 Ca 0.00 -0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.58 1u8b h GLN 81 Cb 0.00 -0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.44 1u8b h GLN 81 CO 0.00 0.04 -0.29 1.25 -2.65 0.00 0.00 178.83 177.18 1u8b h HIS 82 N 0.07 -0.79 -0.64 3.99 2.76 -1.00 0.21 115.15 119.75 1u8b h HIS 82 Ca 0.11 0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1u8b h HIS 82 Cb 0.13 0.41 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 1u8b h HIS 82 CO -0.19 -0.36 0.42 0.00 -1.30 0.00 0.00 177.93 176.51 1u8b h ARG 83 N -0.21 0.82 -0.88 5.26 -0.00 -0.53 -1.98 114.38 116.86 1u8b h ARG 83 Ca 0.19 -0.05 0.04 0.00 -0.50 0.00 0.00 59.98 59.66 1u8b h ARG 83 Cb 0.52 -0.19 -0.06 0.00 0.00 0.00 0.00 29.97 30.24 1u8b h ARG 83 CO -0.54 0.55 0.56 -0.07 0.00 0.00 0.00 179.97 180.46 1u8b h LEU 84 N 0.85 0.92 -1.29 3.04 3.38 -0.17 -0.37 115.31 121.66 1u8b h LEU 84 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1u8b h LEU 84 Cb -0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1u8b h LEU 84 CO -0.06 0.61 0.41 0.44 0.09 0.00 0.00 178.44 179.93 1u8b h ASP 85 N 1.07 0.78 0.25 -0.43 3.32 0.05 -2.81 116.42 118.65 1u8b h ASP 85 Ca 0.36 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1u8b h ASP 85 Cb 0.07 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1u8b h ASP 85 CO -0.14 0.59 -0.14 0.11 -1.72 0.00 0.00 179.24 177.94 1u8b h LYS 86 N 0.91 -0.36 0.50 3.56 1.79 -0.43 -2.88 116.57 119.67 1u8b h LYS 86 Ca 0.24 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.72 1u8b h LYS 86 Cb -0.06 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1u8b h LYS 86 CO -0.05 -0.24 -0.43 0.82 -1.08 0.00 0.00 179.45 178.47 1u8b h ILE 87 N -0.37 0.14 -0.97 1.86 1.08 -1.28 -2.07 117.51 115.90 1u8b h ILE 87 Ca -0.03 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.62 1u8b h ILE 87 Cb 0.30 0.14 -0.17 0.00 -3.07 0.00 0.00 36.82 34.02 1u8b h ILE 87 CO 0.04 0.00 -0.30 0.41 -0.69 0.00 0.00 178.15 177.60 1u8b n THR 88 N -5.53 -0.45 -0.31 -0.27 -1.04 -1.08 0.74 114.28 106.33 1u8b n THR 88 Ca -0.12 2.24 -0.04 0.00 -2.04 0.00 0.00 64.05 64.10 1u8b n THR 88 Cb 0.42 -3.04 0.08 0.00 -1.82 0.00 0.00 70.33 65.98 1u8b n THR 88 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1u8b h HIS 89 N 0.00 1.09 -0.64 -1.42 -0.00 -1.27 -1.80 115.15 111.11 1u8b h HIS 89 Ca 0.41 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.74 1u8b h HIS 89 Cb 0.65 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 1u8b h HIS 89 CO -0.79 0.71 0.19 0.00 -0.00 0.00 0.00 177.93 178.04 1u8b h ALA 90 N 1.29 1.13 -0.53 5.26 0.00 0.10 -1.48 119.26 125.04 1u8b h ALA 90 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1u8b h ALA 90 Cb -0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1u8b h ALA 90 CO -0.06 0.60 0.34 0.00 0.00 0.00 0.00 179.25 180.12 1u8b h ARG 92 N 0.72 0.95 0.00 0.00 -0.00 -0.91 -2.46 114.38 112.68 1u8b h ARG 92 Ca 0.19 -0.25 -0.03 0.00 -0.50 0.00 0.00 59.98 59.39 1u8b h ARG 92 Cb -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 29.80 1u8b h ARG 92 CO -0.04 0.91 -0.12 -0.07 0.00 0.00 0.00 179.97 180.65 1u8b h LEU 93 N 0.89 0.00 -0.10 3.04 3.38 -0.90 -2.65 115.31 118.98 1u8b h LEU 93 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1u8b h LEU 93 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1u8b h LEU 93 CO 0.02 0.12 -0.24 0.18 0.09 0.00 0.00 178.44 178.61 1u8b n LEU 94 N -3.36 0.38 -3.55 1.67 4.77 -0.72 -4.49 117.00 111.70 1u8b n LEU 94 Ca -0.01 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.70 1u8b n LEU 94 Cb 0.31 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1u8b n LEU 94 CO 0.30 0.08 2.80 -0.62 -1.33 0.00 0.00 177.39 178.62 1u8b n GLU 95 N -1.30 3.61 -3.63 3.23 1.02 -1.00 -4.56 120.64 118.02 1u8b n GLU 95 Ca 0.09 -2.75 -0.16 0.00 -0.02 0.00 0.00 57.16 54.32 1u8b n GLU 95 Cb 0.32 -2.93 -0.07 0.00 -0.02 0.00 0.00 31.44 28.74 1u8b n GLU 95 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1u8b s GLN 96 N 1.58 0.86 0.11 3.49 -2.07 -1.26 -5.07 119.66 117.29 1u8b s GLN 96 Ca 0.56 0.18 -0.20 0.00 -1.82 0.00 0.00 55.36 54.08 1u8b s GLN 96 Cb 0.16 0.40 -0.09 0.00 -1.09 0.00 0.00 33.01 32.39 1u8b s GLN 96 CO -0.07 -0.24 1.73 0.93 -1.32 0.00 0.00 175.29 176.32 1u8b h GLU 97 N 3.66 0.23 -6.47 9.60 4.39 -1.94 -3.42 114.58 120.64 1u8b h GLU 97 Ca -0.28 -0.02 -0.53 0.00 0.34 0.00 0.00 59.36 58.87 1u8b h GLU 97 Cb 1.16 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 29.79 1u8b h GLU 97 CO 0.36 0.20 1.13 0.95 -1.16 0.00 0.00 179.01 180.49 1u8b s THR 98 N -5.98 2.71 0.34 1.13 -4.23 -1.26 -4.91 115.64 103.44 1u8b s THR 98 Ca -0.13 0.09 -0.29 0.00 -1.18 0.00 0.00 61.69 60.18 1u8b s THR 98 Cb 0.08 -3.06 -0.11 0.00 1.34 0.00 0.00 72.50 70.74 1u8b s THR 98 CO 0.69 -0.00 1.55 -2.16 -0.54 0.00 0.00 174.62 174.16 1u8b s PRO 99 N 3.14 4.10 -0.18 3.99 0.04 -1.26 -5.02 135.00 139.81 1u8b s PRO 99 Ca 0.82 2.60 -0.01 0.00 0.04 0.00 0.00 61.00 64.45 1u8b s PRO 99 Cb -0.44 -2.99 -0.00 0.00 0.04 0.00 0.00 34.50 31.11 1u8b s PRO 99 CO 0.37 -0.60 -0.12 0.08 0.04 0.00 0.00 177.00 176.77 1u8b s VAL 100 N -0.62 2.90 0.45 -0.36 1.01 -1.26 -5.11 120.40 117.41 1u8b s VAL 100 Ca 0.58 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 1u8b s VAL 100 Cb -0.48 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.55 1u8b s VAL 100 CO 0.57 0.49 0.98 0.42 0.00 0.00 0.00 175.10 177.55 1u8b s THR 101 N 1.02 4.26 0.42 3.92 -4.23 -1.26 -4.87 115.64 114.90 1u8b s THR 101 Ca -0.01 1.36 0.18 0.00 -1.18 0.00 0.00 61.69 62.04 1u8b s THR 101 Cb -0.15 -3.57 0.38 0.00 1.34 0.00 0.00 72.50 70.50 1u8b s THR 101 CO -0.02 -0.34 1.85 0.25 -0.54 0.00 0.00 174.62 175.81 1u8b h LEU 102 N 1.70 0.41 -0.07 4.79 6.46 -1.99 0.69 115.31 127.30 1u8b h LEU 102 Ca -0.49 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.30 1u8b h LEU 102 Cb 1.19 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1u8b h LEU 102 CO 0.61 0.16 -0.01 -0.08 -0.62 0.00 0.00 178.44 178.49 1u8b h GLU 103 N 0.41 0.12 -0.79 1.25 4.81 -1.97 0.57 114.58 118.98 1u8b h GLU 103 Ca 0.48 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.62 1u8b h GLU 103 Cb 1.20 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 1u8b h GLU 103 CO -0.18 0.44 0.33 0.00 -0.73 0.00 0.00 179.01 178.86 1u8b h ALA 104 N 0.69 1.08 0.08 2.92 0.00 -1.59 -0.23 119.26 122.21 1u8b h ALA 104 Ca 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1u8b h ALA 104 Cb 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1u8b h ALA 104 CO 0.01 0.66 -0.04 1.25 0.00 0.00 0.00 179.25 181.12 1u8b h LEU 105 N 1.15 -0.09 -0.66 0.00 5.85 -0.77 -2.05 115.31 118.74 1u8b h LEU 105 Ca 0.27 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1u8b h LEU 105 Cb 0.20 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 1u8b h LEU 105 CO -0.02 0.18 0.26 0.00 -0.34 0.00 0.00 178.44 178.52 1u8b h ALA 106 N 0.52 0.87 -0.16 1.25 0.00 0.44 -0.18 119.26 122.01 1u8b h ALA 106 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1u8b h ALA 106 Cb 0.32 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1u8b h ALA 106 CO 0.02 -0.17 -0.19 0.38 0.00 0.00 0.00 179.25 179.29 1u8b h ASP 107 N 0.45 -0.60 -0.36 0.00 3.04 -0.89 0.80 116.42 118.85 1u8b h ASP 107 Ca 0.34 0.11 0.04 0.00 -3.24 0.00 0.00 57.03 54.27 1u8b h ASP 107 Cb 0.43 0.28 -0.04 0.00 -1.04 0.00 0.00 39.33 38.96 1u8b h ASP 107 CO -0.32 -0.24 0.14 1.56 -2.04 0.00 0.00 179.24 178.34 1u8b h GLN 108 N -0.23 0.29 -0.00 4.15 4.20 -0.33 -1.71 115.11 121.48 1u8b h GLN 108 Ca 0.11 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1u8b h GLN 108 Cb 0.39 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1u8b h GLN 108 CO -0.29 0.19 -0.07 1.33 -0.67 0.00 0.00 178.83 179.32 1u8b n VAL 109 N -5.00 0.00 -2.65 -0.54 0.24 -0.54 -5.11 118.33 104.73 1u8b n VAL 109 Ca 0.01 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.34 62.23 1u8b n VAL 109 Cb 0.12 -0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 32.30 1u8b n VAL 109 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u8b n ALA 110 N -0.93 -3.59 -2.61 2.33 0.00 0.26 -5.00 120.51 110.99 1u8b n ALA 110 Ca 0.16 1.28 -0.38 0.00 0.00 0.00 0.00 53.44 54.50 1u8b n ALA 110 Cb 0.25 -2.51 -0.06 0.00 0.00 0.00 0.00 19.45 17.13 1u8b n ALA 110 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u8b s SER 112 N -1.23 6.69 0.56 0.00 1.04 -1.26 -5.04 113.70 114.46 1u8b s SER 112 Ca -0.12 0.82 0.32 0.00 0.48 0.00 0.00 55.95 57.46 1u8b s SER 112 Cb 0.01 -2.23 1.46 0.00 0.10 0.00 0.00 66.02 65.36 1u8b s SER 112 CO 0.78 0.24 1.82 1.55 0.98 0.00 0.00 173.24 178.61 1u8b h PRO 113 N 5.41 0.00 -0.01 4.02 0.13 -1.91 0.10 132.00 139.73 1u8b h PRO 113 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1u8b h PRO 113 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1u8b h PRO 113 CO 0.66 0.00 0.00 0.35 -0.23 0.00 0.00 178.00 178.78 1u8b h PHE 114 N 0.00 0.01 -0.44 1.56 3.04 -1.99 -2.24 116.94 116.89 1u8b h PHE 114 Ca 0.41 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.30 1u8b h PHE 114 Cb 1.83 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.32 1u8b h PHE 114 CO 0.00 0.29 0.04 0.45 -2.02 0.00 0.00 178.31 177.07 1u8b h HIS 115 N -0.27 0.80 0.16 0.41 3.86 -1.45 -1.91 115.15 116.76 1u8b h HIS 115 Ca 0.00 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.10 1u8b h HIS 115 Cb 0.28 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1u8b h HIS 115 CO 0.02 0.78 -0.19 1.25 0.86 0.00 0.00 177.93 180.65 1u8b h LEU 116 N 0.59 -0.52 -0.61 2.43 5.85 -1.36 0.93 115.31 122.62 1u8b h LEU 116 Ca 0.13 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1u8b h LEU 116 Cb 0.43 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1u8b h LEU 116 CO 0.02 -0.28 0.36 -0.74 -0.34 0.00 0.00 178.44 177.46 1u8b h HIS 117 N -0.39 0.67 -0.49 1.25 2.76 -1.36 0.14 115.15 117.74 1u8b h HIS 117 Ca 0.01 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 1u8b h HIS 117 Cb 0.39 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1u8b h HIS 117 CO -0.16 0.37 0.07 -0.09 -1.30 0.00 0.00 177.93 176.82 1u8b h ARG 118 N 0.70 0.81 -0.25 5.26 2.43 -1.08 -2.57 114.38 119.68 1u8b h ARG 118 Ca 0.25 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 1u8b h ARG 118 Cb 0.06 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1u8b h ARG 118 CO -0.12 0.81 -0.22 1.25 -1.51 0.00 0.00 179.97 180.19 1u8b h LEU 119 N 0.68 0.63 0.03 3.80 5.85 -0.54 -2.55 115.31 123.21 1u8b h LEU 119 Ca 0.15 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.43 1u8b h LEU 119 Cb 0.40 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1u8b h LEU 119 CO 0.01 0.96 -0.16 0.15 -0.34 0.00 0.00 178.44 179.06 1u8b h PHE 120 N 0.31 -0.41 0.00 1.25 3.04 -0.69 0.46 116.94 120.90 1u8b h PHE 120 Ca 0.05 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1u8b h PHE 120 Cb 0.76 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.45 1u8b h PHE 120 CO 0.07 -0.23 -0.06 -0.22 -2.02 0.00 0.00 178.31 175.85 1u8b h LYS 121 N -0.28 0.00 0.17 1.11 3.64 -1.51 0.28 116.57 119.98 1u8b h LYS 121 Ca 0.04 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.13 1u8b h LYS 121 Cb 0.33 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1u8b h LYS 121 CO -0.13 0.06 -1.32 0.00 -2.27 0.00 0.00 179.45 175.79 1u8b h ALA 122 N 1.94 0.01 0.04 5.00 0.00 -0.58 -2.57 119.26 123.10 1u8b h ALA 122 Ca -0.00 -0.88 -0.24 0.00 0.00 0.00 0.00 54.91 53.80 1u8b h ALA 122 Cb 0.26 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1u8b h ALA 122 CO 0.01 0.88 -1.26 1.15 0.00 0.00 0.00 179.25 180.02 1u8b h THR 123 N 0.10 0.99 0.15 0.00 2.02 0.42 -3.41 112.91 113.19 1u8b h THR 123 Ca -0.17 -2.27 -0.29 0.00 0.77 0.00 0.00 66.41 64.44 1u8b h THR 123 Cb 2.04 2.49 0.01 0.00 -1.74 0.00 0.00 68.15 70.95 1u8b h THR 123 CO 0.23 0.51 -1.45 0.71 0.37 0.00 0.00 175.52 175.89 1u8b h THR 124 N -0.70 1.08 0.00 3.16 1.35 -0.66 -3.51 112.91 113.63 1u8b h THR 124 Ca -0.31 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 1u8b h THR 124 Cb 1.48 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.71 1u8b h THR 124 CO -0.09 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1u8b n GLY 125 N 1.77 1.59 3.90 5.82 0.00 -0.97 -5.04 105.19 112.26 1u8b n GLY 125 Ca -0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1u8b n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u8b s THR 127 N -2.00 4.98 0.29 2.61 -4.23 -1.26 -4.96 115.64 111.07 1u8b s THR 127 Ca 0.00 -0.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.55 1u8b s THR 127 Cb 0.00 -3.63 0.28 0.00 1.34 0.00 0.00 72.50 70.49 1u8b s THR 127 CO 0.00 -0.22 1.75 -0.65 -0.54 0.00 0.00 174.62 174.96 1u8b h PRO 128 N 1.76 0.60 0.11 3.99 0.11 -1.93 -0.77 132.00 135.87 1u8b h PRO 128 Ca -0.49 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.60 1u8b h PRO 128 Cb 1.22 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1u8b h PRO 128 CO 0.64 0.40 -0.24 -0.22 -0.21 0.00 0.00 178.00 178.36 1u8b h LYS 129 N 0.62 -0.42 -0.59 1.05 1.63 -2.00 -1.47 116.57 115.39 1u8b h LYS 129 Ca 0.54 0.03 0.07 0.00 -0.85 0.00 0.00 60.65 60.44 1u8b h LYS 129 Cb 0.88 0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 32.55 1u8b h LYS 129 CO -0.42 -0.28 0.26 0.00 -3.45 0.00 0.00 179.45 175.56 1u8b h ALA 130 N 0.33 0.76 -0.79 5.00 0.00 -1.63 -1.34 119.26 121.59 1u8b h ALA 130 Ca 0.03 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1u8b h ALA 130 Cb 0.46 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1u8b h ALA 130 CO -0.14 -0.12 0.45 2.35 0.00 0.00 0.00 179.25 181.79 1u8b h TRP 131 N 0.48 0.82 -0.38 0.00 2.91 -0.69 0.53 115.95 119.63 1u8b h TRP 131 Ca 0.28 0.03 -0.12 0.00 1.13 0.00 0.00 58.89 60.21 1u8b h TRP 131 Cb 0.27 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 1u8b h TRP 131 CO -0.13 0.36 -0.25 0.37 -1.03 0.00 0.00 178.44 177.76 1u8b h GLN 132 N 0.78 0.77 -0.54 2.65 4.15 -0.43 -1.48 115.11 121.01 1u8b h GLN 132 Ca 0.37 -0.32 -0.11 0.00 0.77 0.00 0.00 58.65 59.36 1u8b h GLN 132 Cb 0.30 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1u8b h GLN 132 CO -0.23 0.94 -0.11 1.96 -1.93 0.00 0.00 178.83 179.46 1u8b h GLN 133 N 0.67 1.03 -0.42 1.69 4.20 -0.13 -2.07 115.11 120.08 1u8b h GLN 133 Ca 0.09 -0.38 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 1u8b h GLN 133 Cb 0.76 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1u8b h GLN 133 CO 0.06 1.07 0.15 0.00 -0.67 0.00 0.00 178.83 179.44 1u8b h ALA 134 N 0.92 0.55 -0.24 3.87 0.00 0.17 0.13 119.26 124.66 1u8b h ALA 134 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1u8b h ALA 134 Cb 0.68 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1u8b h ALA 134 CO 0.05 0.18 0.07 2.35 0.00 0.00 0.00 179.25 181.90 1u8b h TRP 135 N 0.53 0.12 -0.08 0.00 7.01 -1.14 -1.60 115.95 120.79 1u8b h TRP 135 Ca 0.14 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.18 1u8b h TRP 135 Cb 0.23 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.25 1u8b h TRP 135 CO 0.01 0.05 -0.09 0.00 -2.79 0.00 0.00 178.44 175.62 1u8b h ARG 136 N 0.17 -0.11 -0.17 2.65 3.08 -1.06 -3.09 114.38 115.85 1u8b h ARG 136 Ca 0.11 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1u8b h ARG 136 Cb 0.09 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1u8b h ARG 136 CO -0.13 -0.08 -0.13 0.00 -1.07 0.00 0.00 179.97 178.57 1u8b h ALA 137 N 0.94 -0.25 -0.00 0.04 0.00 -0.11 -3.52 119.26 116.36 1u8b h ALA 137 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1u8b h ALA 137 Cb 0.21 0.96 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1u8b h ALA 137 CO -0.15 -0.33 0.00 2.89 0.00 0.00 0.00 179.25 181.66