#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uad s LEU 12 N 0.00 3.64 0.65 1.04 1.02 -1.26 -5.02 118.68 118.75 1uad s LEU 12 Ca 0.00 1.35 -0.18 0.00 0.02 0.00 0.00 54.13 55.32 1uad s LEU 12 Cb 0.00 -4.29 -0.01 0.00 0.02 0.00 0.00 46.19 41.92 1uad s LEU 12 CO 0.00 -0.56 1.26 0.00 0.02 0.00 0.00 176.35 177.07 1uad s ALA 13 N -2.62 2.37 -0.23 4.21 0.00 -1.26 -4.82 121.76 119.41 1uad s ALA 13 Ca 0.55 1.11 -0.03 0.00 0.00 0.00 0.00 51.96 53.58 1uad s ALA 13 Cb -0.10 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.58 1uad s ALA 13 CO 0.35 -1.54 0.07 -1.17 0.00 0.00 0.00 175.76 173.48 1uad s LEU 14 N -4.43 1.16 -0.27 0.00 2.96 -1.26 -1.36 118.68 115.49 1uad s LEU 14 Ca 0.80 -1.02 -0.14 0.00 -0.22 0.00 0.00 54.13 53.54 1uad s LEU 14 Cb -0.34 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 1uad s LEU 14 CO 0.39 -0.35 0.34 -1.00 -1.32 0.00 0.00 176.35 174.41 1uad s HIS 15 N 1.89 3.25 -0.46 5.38 3.76 -0.63 -4.98 115.29 123.50 1uad s HIS 15 Ca 0.03 0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 55.14 1uad s HIS 15 Cb -0.17 -2.54 0.04 0.00 1.11 0.00 0.00 32.58 31.03 1uad s HIS 15 CO -0.16 -0.21 0.51 0.15 -0.85 0.00 0.00 174.74 174.18 1uad s LYS 16 N 1.98 3.09 -0.04 1.40 1.02 -1.26 -1.03 119.74 124.90 1uad s LYS 16 Ca 0.14 -0.90 -0.03 0.00 0.02 0.00 0.00 55.97 55.20 1uad s LYS 16 Cb -0.16 -4.05 -0.04 0.00 -0.52 0.00 0.00 37.83 33.07 1uad s LYS 16 CO 0.10 -1.03 0.12 0.08 -0.92 0.00 0.00 175.35 173.70 1uad s VAL 17 N 2.25 5.09 -0.09 3.17 1.01 0.83 -0.64 120.40 132.02 1uad s VAL 17 Ca 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1uad s VAL 17 Cb -0.19 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1uad s VAL 17 CO 0.12 0.42 -0.13 -0.63 0.00 0.00 0.00 175.10 174.88 1uad s ILE 18 N -1.18 1.29 -0.22 2.22 1.01 -0.21 -1.06 121.20 123.06 1uad s ILE 18 Ca 0.22 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 1uad s ILE 18 Cb -0.12 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1uad s ILE 18 CO 0.12 0.40 0.60 -0.04 0.00 0.00 0.00 174.94 176.02 1uad s MET 19 N 0.87 4.16 0.15 2.79 -1.94 -0.22 -1.34 119.30 123.76 1uad s MET 19 Ca -0.10 0.52 0.06 0.00 -1.71 0.00 0.00 55.69 54.46 1uad s MET 19 Cb -0.15 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.04 1uad s MET 19 CO 0.01 -0.30 -0.13 0.14 -0.01 0.00 0.00 175.02 174.73 1uad s VAL 20 N 2.11 1.40 0.00 -6.03 -7.23 -0.57 -3.41 120.40 106.66 1uad s VAL 20 Ca 0.26 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1uad s VAL 20 Cb -0.16 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.06 1uad s VAL 20 CO 0.09 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 1uad n GLY 21 N 0.15 3.36 3.61 2.32 0.00 -1.26 -0.67 105.19 112.70 1uad n GLY 21 Ca -0.12 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 1uad n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uad s SER 22 N 0.00 2.20 0.39 1.61 0.01 -1.26 -4.19 113.70 112.46 1uad s SER 22 Ca 0.00 1.63 -0.27 0.00 1.31 0.00 0.00 55.95 58.62 1uad s SER 22 Cb 0.00 -2.29 -0.10 0.00 0.21 0.00 0.00 66.02 63.84 1uad s SER 22 CO 0.00 -3.46 1.39 -0.83 0.41 0.00 0.00 173.24 170.76 1uad s GLY 23 N -2.87 2.95 0.00 3.44 0.00 -1.26 -3.24 107.32 106.33 1uad s GLY 23 Ca 0.66 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.79 1uad s GLY 23 CO 0.60 2.05 0.00 0.61 0.00 0.00 0.00 173.10 176.36 1uad n GLY 24 N 0.60 0.58 0.24 0.20 0.00 -1.26 -4.89 105.19 100.67 1uad n GLY 24 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 1uad n GLY 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1uad h VAL 25 N 0.00 0.16 0.00 1.61 -1.51 -1.93 -3.47 116.25 111.11 1uad h VAL 25 Ca 0.00 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 1uad h VAL 25 Cb 0.10 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1uad h VAL 25 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 1uad n GLY 26 N 0.39 1.78 0.25 5.19 0.00 -1.26 -4.48 105.19 107.06 1uad n GLY 26 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 1uad n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uad h LYS 27 N 0.00 0.82 -0.17 1.61 1.57 -1.91 -1.06 116.57 117.43 1uad h LYS 27 Ca 0.00 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.55 1uad h LYS 27 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1uad h LYS 27 CO 0.00 0.58 -0.50 0.77 -0.57 0.00 0.00 179.45 179.73 1uad h SER 28 N 0.82 0.73 -0.53 0.86 0.02 -1.96 -2.37 113.55 111.12 1uad h SER 28 Ca 0.22 -0.59 0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1uad h SER 28 Cb -0.03 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 1uad h SER 28 CO -0.04 1.19 0.30 0.00 -1.14 0.00 0.00 176.83 177.15 1uad h ALA 29 N 0.56 0.69 -0.45 3.77 0.00 -1.95 0.24 119.26 122.12 1uad h ALA 29 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1uad h ALA 29 Cb 1.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1uad h ALA 29 CO 0.11 -0.01 0.25 -0.07 0.00 0.00 0.00 179.25 179.53 1uad h LEU 30 N 0.59 0.56 0.08 0.00 3.38 -1.19 -0.83 115.31 117.90 1uad h LEU 30 Ca 0.22 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1uad h LEU 30 Cb 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1uad h LEU 30 CO -0.12 0.48 -0.04 0.74 0.09 0.00 0.00 178.44 179.59 1uad h THR 31 N 0.59 0.94 -0.06 0.22 2.02 -0.82 -1.62 112.91 114.18 1uad h THR 31 Ca 0.16 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 1uad h THR 31 Cb 0.04 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1uad h THR 31 CO -0.03 0.01 -0.35 -0.07 0.37 0.00 0.00 175.52 175.46 1uad h LEU 32 N -0.13 0.11 -0.26 2.58 3.38 -0.46 0.32 115.31 120.84 1uad h LEU 32 Ca -0.01 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1uad h LEU 32 Cb 0.10 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1uad h LEU 32 CO 0.02 0.46 -0.40 -0.61 0.09 0.00 0.00 178.44 177.99 1uad h GLN 33 N 0.09 0.74 -0.30 1.13 5.75 -1.05 0.91 115.11 122.39 1uad h GLN 33 Ca 0.01 -0.44 -0.07 0.00 -0.15 0.00 0.00 58.65 58.00 1uad h GLN 33 Cb 0.67 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 1uad h GLN 33 CO 0.05 1.07 -0.09 0.35 -2.65 0.00 0.00 178.83 177.56 1uad h PHE 34 N 0.48 0.68 -0.00 3.99 3.57 -0.88 -0.02 116.94 124.75 1uad h PHE 34 Ca 0.02 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 1uad h PHE 34 Cb 1.00 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1uad h PHE 34 CO 0.08 0.80 -0.01 0.52 -2.23 0.00 0.00 178.31 177.46 1uad h MET 35 N 0.36 0.01 -0.06 1.11 2.86 -0.39 -3.39 114.93 115.43 1uad h MET 35 Ca 0.07 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1uad h MET 35 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1uad h MET 35 CO 0.03 0.66 0.00 0.66 1.06 0.00 0.00 176.91 179.33 1uad n TYR 36 N -4.76 0.12 -3.10 -0.22 4.02 0.30 -5.01 117.16 108.50 1uad n TYR 36 Ca -0.09 -0.66 -0.22 0.00 -0.01 0.00 0.00 57.90 56.92 1uad n TYR 36 Cb 0.33 -0.09 0.02 0.00 -0.02 0.00 0.00 39.34 39.58 1uad n TYR 36 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1uad n ASP 37 N -0.62 -5.37 -4.30 7.72 8.00 -0.02 -4.95 116.55 117.01 1uad n ASP 37 Ca 0.07 -0.30 -0.16 0.00 0.71 0.00 0.00 54.79 55.10 1uad n ASP 37 Cb 0.42 -4.36 -0.10 0.00 -0.02 0.00 0.00 41.12 37.05 1uad n ASP 37 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1uad s GLU 38 N -5.78 1.21 -0.18 -1.24 -1.05 -1.22 -4.98 118.70 105.46 1uad s GLU 38 Ca 0.32 -1.53 -0.07 0.00 -0.15 0.00 0.00 54.97 53.53 1uad s GLU 38 Cb -0.15 -0.85 0.08 0.00 -0.44 0.00 0.00 34.13 32.77 1uad s GLU 38 CO 0.40 0.11 0.40 0.12 0.95 0.00 0.00 175.26 177.24 1uad s PHE 39 N -3.18 -0.69 -0.02 4.83 5.36 -1.26 -2.99 117.98 120.03 1uad s PHE 39 Ca 0.20 1.38 0.01 0.00 -0.96 0.00 0.00 56.93 57.57 1uad s PHE 39 Cb 0.01 0.25 0.01 0.00 -0.34 0.00 0.00 43.02 42.96 1uad s PHE 39 CO 0.04 -0.42 -0.04 0.14 -1.46 0.00 0.00 175.22 173.48 1uad s VAL 40 N 2.18 0.44 -0.87 3.12 -7.23 -1.26 -5.07 120.40 111.71 1uad s VAL 40 Ca -0.04 -0.14 -0.25 0.00 -1.81 0.00 0.00 61.98 59.74 1uad s VAL 40 Cb -0.11 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.39 1uad s VAL 40 CO -0.12 0.17 1.72 -0.70 -0.31 0.00 0.00 175.10 175.85 1uad s GLU 41 N 0.45 2.94 0.05 4.82 2.56 -1.26 -4.91 118.70 123.34 1uad s GLU 41 Ca -0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 54.97 54.53 1uad s GLU 41 Cb -0.09 -4.94 -0.03 0.00 2.00 0.00 0.00 34.13 31.07 1uad s GLU 41 CO -0.00 -2.80 -0.01 0.16 -0.56 0.00 0.00 175.26 172.05 1uad s ASP 42 N 6.69 0.42 -0.32 -1.70 -4.77 -1.26 -5.13 116.67 110.60 1uad s ASP 42 Ca 0.59 -0.89 -0.07 0.00 -3.30 0.00 0.00 52.55 48.88 1uad s ASP 42 Cb -0.06 0.20 0.02 0.00 -1.09 0.00 0.00 42.92 41.99 1uad s ASP 42 CO 0.02 -0.56 0.09 -0.47 0.70 0.00 0.00 175.17 174.95 1uad s TYR 43 N -3.53 3.20 -0.46 2.11 6.14 -1.26 -5.02 117.35 118.53 1uad s TYR 43 Ca 0.03 -1.19 0.06 0.00 0.64 0.00 0.00 57.07 56.61 1uad s TYR 43 Cb 0.05 -2.26 0.18 0.00 0.42 0.00 0.00 41.96 40.35 1uad s TYR 43 CO -0.09 -0.65 0.56 -1.21 0.64 0.00 0.00 175.55 174.80 1uad s GLU 44 N 1.45 0.96 0.21 4.97 2.02 -1.26 -5.14 118.70 121.91 1uad s GLU 44 Ca 0.01 -1.32 -0.31 0.00 0.02 0.00 0.00 54.97 53.36 1uad s GLU 44 Cb -0.18 -0.54 -0.15 0.00 0.10 0.00 0.00 34.13 33.35 1uad s GLU 44 CO 0.03 -1.33 1.14 -2.30 0.02 0.00 0.00 175.26 172.82 1uad n PRO 45 N 3.15 1.27 -3.50 0.39 -0.02 -1.26 -4.95 135.00 130.07 1uad n PRO 45 Ca 0.21 0.45 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 1uad n PRO 45 Cb 0.52 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 1uad n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1uad s THR 46 N -0.40 5.01 -0.05 3.45 2.01 -1.26 -5.01 115.64 119.39 1uad s THR 46 Ca 0.69 0.51 -0.05 0.00 0.31 0.00 0.00 61.69 63.14 1uad s THR 46 Cb -0.80 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.03 1uad s THR 46 CO 0.54 0.19 -0.10 1.17 -0.69 0.00 0.00 174.62 175.73 1uad n LYS 47 N 0.62 0.16 -3.33 4.92 4.81 -1.26 -4.02 118.16 120.06 1uad n LYS 47 Ca -0.05 0.06 0.03 0.00 -0.87 0.00 0.00 58.31 57.48 1uad n LYS 47 Cb 0.52 -0.74 -0.03 0.00 0.02 0.00 0.00 35.03 34.80 1uad n LYS 47 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uad s ALA 48 N -2.86 -2.82 0.08 3.14 0.00 -1.26 -2.75 121.76 115.29 1uad s ALA 48 Ca -0.09 1.90 0.10 0.00 0.00 0.00 0.00 51.96 53.87 1uad s ALA 48 Cb 0.01 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1uad s ALA 48 CO 0.13 -1.11 -0.26 -0.51 0.00 0.00 0.00 175.76 174.02 1uad s ASP 49 N 2.62 3.13 -0.04 0.00 1.01 -0.00 -4.98 116.67 118.40 1uad s ASP 49 Ca -0.00 -0.66 0.06 0.00 0.71 0.00 0.00 52.55 52.67 1uad s ASP 49 Cb -0.08 -0.24 -0.02 0.00 1.01 0.00 0.00 42.92 43.59 1uad s ASP 49 CO -0.16 0.21 -0.24 -0.44 0.21 0.00 0.00 175.17 174.75 1uad s SER 50 N -1.61 3.23 0.02 0.27 0.01 -1.26 -0.73 113.70 113.63 1uad s SER 50 Ca 0.12 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 56.95 1uad s SER 50 Cb -0.10 -0.66 -0.02 0.00 0.21 0.00 0.00 66.02 65.45 1uad s SER 50 CO 0.04 0.29 -0.07 -0.31 0.41 0.00 0.00 173.24 173.60 1uad s TYR 51 N -0.41 0.58 -0.28 2.43 1.51 -0.41 -4.99 117.35 115.77 1uad s TYR 51 Ca 0.04 -0.35 -0.15 0.00 -1.01 0.00 0.00 57.07 55.60 1uad s TYR 51 Cb -0.12 -0.35 0.09 0.00 -0.11 0.00 0.00 41.96 41.47 1uad s TYR 51 CO 0.01 -0.06 0.70 0.50 -1.11 0.00 0.00 175.55 175.60 1uad s ARG 52 N -1.03 0.67 0.21 -0.62 3.52 -1.26 0.01 118.95 120.45 1uad s ARG 52 Ca -0.06 1.22 -0.18 0.00 -0.13 0.00 0.00 55.73 56.59 1uad s ARG 52 Cb -0.07 0.23 0.03 0.00 -1.56 0.00 0.00 34.95 33.58 1uad s ARG 52 CO 0.00 -0.15 0.54 -1.59 -0.81 0.00 0.00 175.30 173.29 1uad s LYS 53 N 1.79 1.43 0.15 5.12 -2.85 -0.82 -4.99 119.74 119.57 1uad s LYS 53 Ca -0.09 -0.90 -0.29 0.00 -1.00 0.00 0.00 55.97 53.68 1uad s LYS 53 Cb -0.06 0.53 -0.07 0.00 -2.06 0.00 0.00 37.83 36.17 1uad s LYS 53 CO -0.20 -0.61 0.93 0.15 0.10 0.00 0.00 175.35 175.72 1uad s LYS 54 N -3.89 4.73 0.05 1.78 1.02 -1.26 -1.32 119.74 120.86 1uad s LYS 54 Ca 0.10 1.42 -0.02 0.00 0.02 0.00 0.00 55.97 57.50 1uad s LYS 54 Cb -0.01 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1uad s LYS 54 CO -0.01 0.34 -0.00 0.14 -0.92 0.00 0.00 175.35 174.90 1uad s VAL 55 N -0.47 0.20 -0.31 3.17 -7.23 -0.48 -4.94 120.40 110.34 1uad s VAL 55 Ca 0.44 -1.67 -0.07 0.00 -1.81 0.00 0.00 61.98 58.87 1uad s VAL 55 Cb -0.24 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.30 1uad s VAL 55 CO 0.30 -0.92 0.09 -0.69 -0.31 0.00 0.00 175.10 173.57 1uad s VAL 56 N -3.75 4.00 -0.35 1.32 1.01 -1.26 -1.03 120.40 120.34 1uad s VAL 56 Ca 0.05 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1uad s VAL 56 Cb 0.06 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1uad s VAL 56 CO -0.09 0.02 0.16 -0.22 0.00 0.00 0.00 175.10 174.97 1uad s LEU 57 N 1.49 4.45 -1.40 3.92 2.96 0.35 -4.54 118.68 125.92 1uad s LEU 57 Ca 0.02 -0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 52.94 1uad s LEU 57 Cb -0.18 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.58 1uad s LEU 57 CO 0.03 -0.33 0.77 0.47 -1.32 0.00 0.00 176.35 175.97 1uad n ASP 58 N 4.93 -2.30 0.00 3.68 8.00 -1.26 -1.58 116.55 128.03 1uad n ASP 58 Ca -0.12 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1uad n ASP 58 Cb 0.46 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.67 1uad n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uad n GLY 59 N -1.65 2.82 3.70 0.44 0.00 -1.26 -5.00 105.19 104.23 1uad n GLY 59 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1uad n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uad s GLU 60 N -0.10 4.12 -0.03 1.61 2.02 -0.61 -5.05 118.70 120.65 1uad s GLU 60 Ca 0.00 -0.25 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 1uad s GLU 60 Cb 0.00 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1uad s GLU 60 CO 0.00 0.23 1.31 -2.00 0.02 0.00 0.00 175.26 174.82 1uad s GLU 61 N 0.55 4.31 0.27 1.61 2.12 -1.26 -0.49 118.70 125.80 1uad s GLU 61 Ca 0.07 1.82 0.06 0.00 0.36 0.00 0.00 54.97 57.28 1uad s GLU 61 Cb -0.12 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 1uad s GLU 61 CO -0.00 -0.53 0.21 1.33 -0.54 0.00 0.00 175.26 175.73 1uad n VAL 62 N 4.67 0.00 -4.83 3.70 0.24 -0.20 -4.59 118.33 117.32 1uad n VAL 62 Ca 0.12 -1.90 -0.27 0.00 -2.04 0.00 0.00 64.34 60.26 1uad n VAL 62 Cb 0.45 0.91 -0.16 0.00 -1.47 0.00 0.00 33.84 33.57 1uad n VAL 62 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1uad s GLN 63 N -3.08 2.00 -0.09 7.34 -0.21 -0.46 -1.39 119.66 123.77 1uad s GLN 63 Ca 0.29 -0.60 -0.03 0.00 0.02 0.00 0.00 55.36 55.05 1uad s GLN 63 Cb 0.01 -1.65 -0.03 0.00 1.00 0.00 0.00 33.01 32.34 1uad s GLN 63 CO 0.21 0.17 0.02 -1.50 -2.12 0.00 0.00 175.29 172.06 1uad s ILE 64 N 0.29 4.43 -0.07 1.08 2.07 -0.43 -1.60 121.20 126.97 1uad s ILE 64 Ca -0.10 -0.20 0.04 0.00 -1.41 0.00 0.00 60.65 58.99 1uad s ILE 64 Cb -0.14 -2.88 -0.00 0.00 0.13 0.00 0.00 42.46 39.57 1uad s ILE 64 CO 0.04 0.60 -0.22 -0.62 -1.91 0.00 0.00 174.94 172.83 1uad s ASP 65 N -0.83 2.77 -0.11 4.50 -1.08 -0.20 -1.95 116.67 119.77 1uad s ASP 65 Ca 0.13 -0.48 0.01 0.00 -0.52 0.00 0.00 52.55 51.69 1uad s ASP 65 Cb -0.11 -1.03 0.02 0.00 -1.46 0.00 0.00 42.92 40.33 1uad s ASP 65 CO 0.02 0.17 -0.14 -0.63 0.52 0.00 0.00 175.17 175.11 1uad s ILE 66 N 0.18 1.41 -0.31 4.11 1.01 0.10 -0.12 121.20 127.58 1uad s ILE 66 Ca -0.11 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1uad s ILE 66 Cb -0.15 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1uad s ILE 66 CO 0.06 0.43 0.17 -0.22 0.00 0.00 0.00 174.94 175.37 1uad s LEU 67 N 1.11 4.16 -0.29 2.97 2.96 -0.22 -1.29 118.68 128.08 1uad s LEU 67 Ca -0.04 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.28 1uad s LEU 67 Cb -0.14 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1uad s LEU 67 CO -0.03 -0.19 0.20 -0.62 -1.32 0.00 0.00 176.35 174.39 1uad s ASP 68 N 1.64 6.01 0.46 3.68 2.15 0.09 -1.06 116.67 129.64 1uad s ASP 68 Ca 0.05 -0.10 0.08 0.00 0.43 0.00 0.00 52.55 53.01 1uad s ASP 68 Cb -0.17 -2.12 0.01 0.00 -0.30 0.00 0.00 42.92 40.34 1uad s ASP 68 CO 0.07 -0.09 0.46 0.42 -0.17 0.00 0.00 175.17 175.86 1uad s THR 69 N 1.75 2.45 0.32 1.71 -4.23 -1.22 -0.82 115.64 115.61 1uad s THR 69 Ca 0.07 -1.29 -0.27 0.00 -1.18 0.00 0.00 61.69 59.02 1uad s THR 69 Cb -0.16 -2.74 -0.09 0.00 1.34 0.00 0.00 72.50 70.84 1uad s THR 69 CO 0.11 0.00 1.00 0.00 -0.54 0.00 0.00 174.62 175.18 1uad s ALA 70 N -2.54 3.23 -0.01 3.99 0.00 -1.11 -4.80 121.76 120.53 1uad s ALA 70 Ca 0.48 0.65 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 1uad s ALA 70 Cb -0.04 -3.23 -0.34 0.00 0.00 0.00 0.00 23.12 19.51 1uad s ALA 70 CO 0.29 0.02 0.90 0.78 0.00 0.00 0.00 175.76 177.76 1uad h GLY 71 N 3.26 0.52 -5.02 0.00 0.00 -1.79 -3.45 103.07 96.59 1uad h GLY 71 Ca -0.47 -1.33 -0.66 0.00 0.00 0.00 0.00 47.33 44.88 1uad h GLY 71 CO 0.65 1.16 0.12 0.61 0.00 0.00 0.00 176.54 179.08 1uad n GLN 72 N -3.81 0.94 -0.07 4.80 10.64 -1.26 -4.08 117.38 124.54 1uad n GLN 72 Ca -0.18 0.33 0.01 0.00 -1.83 0.00 0.00 57.00 55.33 1uad n GLN 72 Cb 1.03 -1.74 0.03 0.00 -0.86 0.00 0.00 30.24 28.70 1uad n GLN 72 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 1uad n GLU 73 N 1.45 1.31 0.00 2.61 0.00 -1.26 -3.95 120.64 120.80 1uad n GLU 73 Ca 0.15 -0.25 0.05 0.00 0.00 0.00 0.00 57.16 57.10 1uad n GLU 73 Cb 0.25 -1.56 0.27 0.00 0.00 0.00 0.00 31.44 30.40 1uad n GLU 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1uad n ASP 74 N 0.05 0.00 -4.50 -1.84 9.92 -1.26 -4.70 116.55 114.21 1uad n ASP 74 Ca 0.02 -1.36 -0.34 0.00 -0.53 0.00 0.00 54.79 52.58 1uad n ASP 74 Cb 0.32 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.68 1uad n ASP 74 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1uad s TYR 75 N -2.00 2.96 0.00 1.24 1.51 -1.25 -5.01 117.35 114.80 1uad s TYR 75 Ca 0.14 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1uad s TYR 75 Cb 0.06 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 1uad s TYR 75 CO 0.11 0.05 0.00 0.00 -1.11 0.00 0.00 175.55 174.60 1uad n ALA 76 N 3.11 2.58 0.31 3.71 0.00 -1.26 -4.72 120.51 124.24 1uad n ALA 76 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.40 1uad n ALA 76 Cb 0.53 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.30 1uad n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uad h ALA 77 N 0.00 1.00 -0.28 0.00 0.00 -2.01 -3.15 119.26 114.82 1uad h ALA 77 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1uad h ALA 77 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uad h ALA 77 CO 0.00 0.00 -0.36 0.82 0.00 0.00 0.00 179.25 179.71 1uad h ILE 78 N 0.00 1.30 -0.59 0.00 2.04 -1.96 -3.12 117.51 115.18 1uad h ILE 78 Ca 0.00 -1.55 0.05 0.00 1.00 0.00 0.00 64.86 64.36 1uad h ILE 78 Cb 0.83 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.48 1uad h ILE 78 CO 0.00 0.50 0.32 0.03 0.00 0.00 0.00 178.15 179.00 1uad h ARG 79 N 0.49 0.59 -0.68 2.37 2.47 -1.83 -2.63 114.38 115.16 1uad h ARG 79 Ca 0.03 -0.04 0.14 0.00 -1.26 0.00 0.00 59.98 58.86 1uad h ARG 79 Cb 0.95 -0.13 -0.10 0.00 -1.65 0.00 0.00 29.97 29.04 1uad h ARG 79 CO 0.09 0.39 0.16 -0.44 0.56 0.00 0.00 179.97 180.72 1uad h ASP 80 N 0.61 0.01 -0.10 7.04 3.32 -1.58 0.16 116.42 125.87 1uad h ASP 80 Ca 0.26 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.42 1uad h ASP 80 Cb 0.14 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1uad h ASP 80 CO -0.16 -0.01 0.00 -1.13 -1.72 0.00 0.00 179.24 176.22 1uad h ASN 81 N 0.27 0.18 0.51 6.45 -1.24 -1.49 -1.71 115.58 118.55 1uad h ASN 81 Ca 0.37 -0.30 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 1uad h ASN 81 Cb 0.60 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.58 1uad h ASN 81 CO -0.46 0.43 -0.42 1.88 -1.29 0.00 0.00 177.43 177.57 1uad h TYR 82 N -0.08 -1.14 -0.98 0.67 0.99 -1.12 -2.78 116.97 112.52 1uad h TYR 82 Ca 0.03 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.93 1uad h TYR 82 Cb 0.34 0.43 -0.09 0.00 1.00 0.00 0.00 36.73 38.41 1uad h TYR 82 CO 0.03 -0.60 0.61 0.74 -0.00 0.00 0.00 178.16 178.94 1uad h PHE 83 N -0.92 0.98 0.00 4.88 0.05 -0.73 -0.53 116.94 120.67 1uad h PHE 83 Ca -0.06 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.71 1uad h PHE 83 Cb 0.79 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 38.43 1uad h PHE 83 CO -0.18 0.28 -0.25 -0.09 -0.18 0.00 0.00 178.31 177.89 1uad h ARG 84 N 0.76 0.00 0.00 1.51 2.43 -1.05 -2.45 114.38 115.58 1uad h ARG 84 Ca 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1uad h ARG 84 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1uad h ARG 84 CO -0.30 0.25 -0.06 -1.13 -1.51 0.00 0.00 179.97 177.22 1uad n SER 85 N -4.23 0.26 -4.89 -3.80 3.41 -0.22 -4.87 113.62 99.28 1uad n SER 85 Ca -0.02 0.45 -0.31 0.00 -0.26 0.00 0.00 58.87 58.73 1uad n SER 85 Cb 0.30 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 1uad n SER 85 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1uad s GLY 86 N -3.16 2.16 -0.06 5.00 0.00 -0.92 -4.93 107.32 105.39 1uad s GLY 86 Ca 0.13 -0.41 0.16 0.00 0.00 0.00 0.00 44.72 44.60 1uad s GLY 86 CO 0.56 -0.29 0.28 1.18 0.00 0.00 0.00 173.10 174.84 1uad n GLU 87 N -0.31 0.78 -3.82 2.90 1.02 0.18 -5.00 120.64 116.39 1uad n GLU 87 Ca -0.01 -0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 56.90 1uad n GLU 87 Cb 0.53 -1.41 -0.09 0.00 -0.02 0.00 0.00 31.44 30.45 1uad n GLU 87 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1uad s GLY 88 N -4.27 -0.03 -0.03 0.62 0.00 -0.63 -4.10 107.32 98.88 1uad s GLY 88 Ca -0.07 -0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.69 1uad s GLY 88 CO 0.70 -0.18 -0.15 -1.36 0.00 0.00 0.00 173.10 172.11 1uad s PHE 89 N -1.69 1.42 -0.37 1.90 0.40 -0.63 -1.04 117.98 117.96 1uad s PHE 89 Ca -0.12 -0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 55.80 1uad s PHE 89 Cb -0.05 -0.95 0.05 0.00 0.51 0.00 0.00 43.02 42.59 1uad s PHE 89 CO 0.01 -0.09 0.17 -0.51 0.70 0.00 0.00 175.22 175.49 1uad s LEU 90 N -0.10 4.66 -0.56 -0.37 1.43 -0.45 -1.72 118.68 121.57 1uad s LEU 90 Ca 0.00 -1.29 -0.20 0.00 -1.03 0.00 0.00 54.13 51.62 1uad s LEU 90 Cb -0.09 -1.92 0.07 0.00 0.03 0.00 0.00 46.19 44.29 1uad s LEU 90 CO 0.01 -0.41 0.75 0.00 0.23 0.00 0.00 176.35 176.93 1uad s VAL 92 N 3.06 5.18 0.13 0.00 1.01 0.15 -0.13 120.40 129.81 1uad s VAL 92 Ca 0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1uad s VAL 92 Cb -0.19 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1uad s VAL 92 CO 0.11 0.47 0.18 0.72 0.00 0.00 0.00 175.10 176.59 1uad s PHE 93 N -1.14 0.49 -0.14 5.22 -0.71 -0.38 -4.11 117.98 117.22 1uad s PHE 93 Ca 0.20 -0.88 -0.07 0.00 -1.04 0.00 0.00 56.93 55.14 1uad s PHE 93 Cb -0.12 -0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 1uad s PHE 93 CO 0.10 -0.61 0.11 0.45 -1.34 0.00 0.00 175.22 173.93 1uad s SER 94 N -2.97 6.14 0.28 1.98 0.15 -1.26 -0.54 113.70 117.48 1uad s SER 94 Ca 0.16 0.34 0.24 0.00 0.70 0.00 0.00 55.95 57.39 1uad s SER 94 Cb 0.05 -1.99 1.04 0.00 -1.71 0.00 0.00 66.02 63.40 1uad s SER 94 CO -0.02 0.33 1.72 2.30 1.20 0.00 0.00 173.24 178.77 1uad n ILE 95 N 2.48 0.85 1.11 6.45 -5.35 -0.61 -1.98 119.36 122.31 1uad n ILE 95 Ca -0.19 0.32 0.12 0.00 -0.27 0.00 0.00 62.75 62.73 1uad n ILE 95 Cb 0.54 -1.27 0.33 0.00 -1.74 0.00 0.00 39.64 37.50 1uad n ILE 95 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1uad n THR 96 N -2.28 0.14 -3.54 7.28 -2.24 -1.26 0.82 114.28 113.20 1uad n THR 96 Ca 0.01 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.08 1uad n THR 96 Cb 0.20 0.79 -0.13 0.00 -2.10 0.00 0.00 70.33 69.08 1uad n THR 96 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1uad s GLU 97 N -1.86 0.58 0.39 -0.78 2.12 -0.84 -4.50 118.70 113.81 1uad s GLU 97 Ca 0.34 -1.21 0.17 0.00 0.36 0.00 0.00 54.97 54.63 1uad s GLU 97 Cb 0.20 -1.46 1.05 0.00 0.26 0.00 0.00 34.13 34.18 1uad s GLU 97 CO 0.30 -1.14 1.80 1.98 -0.54 0.00 0.00 175.26 177.66 1uad h MET 98 N 7.40 0.43 -0.63 4.30 1.85 -1.84 -0.60 114.93 125.84 1uad h MET 98 Ca -0.03 -0.03 0.05 0.00 -0.61 0.00 0.00 59.70 59.08 1uad h MET 98 Cb 0.98 -0.10 -0.05 0.00 0.43 0.00 0.00 31.60 32.86 1uad h MET 98 CO 0.35 0.29 0.36 1.49 -0.40 0.00 0.00 176.91 178.99 1uad h GLU 99 N 0.44 0.65 -0.16 0.39 4.81 -1.94 -1.29 114.58 117.49 1uad h GLU 99 Ca 0.56 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.69 1uad h GLU 99 Cb 1.33 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1uad h GLU 99 CO -0.27 0.43 -0.17 0.66 -0.73 0.00 0.00 179.01 178.94 1uad h SER 100 N 0.67 0.26 -0.15 1.04 4.64 -1.44 -2.13 113.55 116.44 1uad h SER 100 Ca 0.27 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 1uad h SER 100 Cb 0.13 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1uad h SER 100 CO -0.16 0.45 -0.02 0.15 -0.87 0.00 0.00 176.83 176.38 1uad h PHE 101 N 0.25 0.30 0.00 4.77 3.57 -1.19 -2.74 116.94 121.90 1uad h PHE 101 Ca 0.05 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1uad h PHE 101 Cb 0.45 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1uad h PHE 101 CO 0.01 0.53 -0.10 0.00 -2.23 0.00 0.00 178.31 176.51 1uad h ALA 102 N 0.73 1.56 0.00 2.41 0.00 -1.03 -2.05 119.26 120.89 1uad h ALA 102 Ca 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1uad h ALA 102 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1uad h ALA 102 CO 0.01 0.13 -0.20 0.00 0.00 0.00 0.00 179.25 179.19 1uad h ALA 103 N 1.90 1.06 -0.63 0.00 0.00 -1.09 -3.20 119.26 117.30 1uad h ALA 103 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1uad h ALA 103 Cb 0.22 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1uad h ALA 103 CO 0.01 0.25 0.41 1.79 0.00 0.00 0.00 179.25 181.72 1uad h THR 104 N 0.00 1.03 -0.69 0.00 1.35 -1.23 -1.97 112.91 111.39 1uad h THR 104 Ca -0.00 -0.23 0.09 0.00 -0.55 0.00 0.00 66.41 65.72 1uad h THR 104 Cb 0.66 0.31 -0.07 0.00 -1.73 0.00 0.00 68.15 67.33 1uad h THR 104 CO 0.03 0.12 0.34 0.00 -0.25 0.00 0.00 175.52 175.76 1uad h ALA 105 N 1.65 0.94 0.31 6.62 0.00 -1.73 -0.38 119.26 126.68 1uad h ALA 105 Ca 0.26 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1uad h ALA 105 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1uad h ALA 105 CO -0.08 -0.05 -0.15 -0.44 0.00 0.00 0.00 179.25 178.53 1uad h ASP 106 N 0.59 -0.35 -0.40 0.00 3.32 -1.57 -1.46 116.42 116.54 1uad h ASP 106 Ca 0.34 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.45 1uad h ASP 106 Cb 0.35 0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 1uad h ASP 106 CO -0.26 -0.22 -0.02 -0.26 -1.72 0.00 0.00 179.24 176.76 1uad h PHE 107 N -0.46 -0.06 -0.41 4.55 0.04 -1.30 -0.60 116.94 118.70 1uad h PHE 107 Ca -0.04 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.84 1uad h PHE 107 Cb 0.35 0.09 -0.07 0.00 2.20 0.00 0.00 35.95 38.51 1uad h PHE 107 CO -0.05 -0.10 -0.05 -0.09 -0.60 0.00 0.00 178.31 177.42 1uad h ARG 108 N 0.08 0.05 0.12 1.51 9.65 -0.95 0.42 114.38 125.26 1uad h ARG 108 Ca 0.20 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.08 1uad h ARG 108 Cb 0.28 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1uad h ARG 108 CO -0.34 0.03 -0.18 1.49 2.80 0.00 0.00 179.97 183.77 1uad h GLU 109 N 0.05 -0.34 -0.68 0.20 4.81 -0.39 -0.84 114.58 117.39 1uad h GLU 109 Ca 0.20 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1uad h GLU 109 Cb 0.30 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1uad h GLU 109 CO -0.39 -0.22 0.42 0.37 -0.73 0.00 0.00 179.01 178.46 1uad h GLN 110 N -0.35 0.91 0.23 1.92 4.15 -0.68 -2.36 115.11 118.94 1uad h GLN 110 Ca 0.02 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1uad h GLN 110 Cb 0.36 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1uad h GLN 110 CO -0.09 0.63 -0.11 0.82 -1.93 0.00 0.00 178.83 178.15 1uad h ILE 111 N 0.93 0.80 -0.93 2.39 2.04 -0.54 -3.01 117.51 119.19 1uad h ILE 111 Ca 0.24 -0.81 0.18 0.00 1.00 0.00 0.00 64.86 65.47 1uad h ILE 111 Cb -0.05 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.17 1uad h ILE 111 CO -0.05 0.16 0.60 -0.07 0.00 0.00 0.00 178.15 178.79 1uad h LEU 112 N -0.76 0.59 0.63 1.44 3.38 -1.08 -1.87 115.31 117.63 1uad h LEU 112 Ca -0.03 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1uad h LEU 112 Cb 0.50 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1uad h LEU 112 CO 0.05 0.25 -0.30 -0.09 0.09 0.00 0.00 178.44 178.44 1uad h ARG 113 N 0.60 -0.81 -1.00 1.13 2.43 -1.43 0.11 114.38 115.40 1uad h ARG 113 Ca 0.49 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.73 1uad h ARG 113 Cb 0.95 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.63 1uad h ARG 113 CO -0.24 -0.54 0.66 -0.39 -1.51 0.00 0.00 179.97 177.95 1uad h VAL 114 N -0.88 1.23 0.00 0.20 -1.51 -1.36 -2.05 116.25 111.89 1uad h VAL 114 Ca -0.09 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1uad h VAL 114 Cb 0.65 -0.22 0.00 0.00 -2.13 0.00 0.00 31.29 29.59 1uad h VAL 114 CO 0.14 0.24 -0.03 0.11 -1.23 0.00 0.00 177.57 176.81 1uad h LYS 115 N 1.33 0.00 -6.37 5.19 1.57 -1.40 -3.47 116.57 113.42 1uad h LYS 115 Ca 0.38 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.68 1uad h LYS 115 Cb -0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1uad h LYS 115 CO -0.09 0.00 -0.87 0.39 -0.57 0.00 0.00 179.45 178.31 1uad n GLU 116 N -2.48 -3.73 -3.40 3.15 1.02 0.37 -4.96 120.64 110.60 1uad n GLU 116 Ca 0.05 0.47 -0.02 0.00 -0.02 0.00 0.00 57.16 57.64 1uad n GLU 116 Cb 0.46 -4.71 -0.05 0.00 -0.02 0.00 0.00 31.44 27.12 1uad n GLU 116 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1uad s ASP 117 N -4.36 -0.83 0.36 1.62 3.68 -1.16 -5.02 116.67 110.96 1uad s ASP 117 Ca 0.01 0.96 0.27 0.00 2.13 0.00 0.00 52.55 55.92 1uad s ASP 117 Cb -0.00 1.87 0.95 0.00 -1.45 0.00 0.00 42.92 44.29 1uad s ASP 117 CO 0.87 -0.25 1.79 -0.33 0.13 0.00 0.00 175.17 177.37 1uad h GLU 118 N 8.06 0.00 -0.47 4.34 4.39 -1.93 -3.15 114.58 125.82 1uad h GLU 118 Ca -0.20 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.28 1uad h GLU 118 Cb 1.13 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.65 1uad h GLU 118 CO 0.20 0.00 0.08 0.09 -1.16 0.00 0.00 179.01 178.21 1uad n ASN 119 N -2.64 2.98 -4.75 1.42 3.02 -1.26 -5.02 115.26 109.01 1uad n ASN 119 Ca 0.03 -3.63 -0.41 0.00 -0.03 0.00 0.00 54.58 50.53 1uad n ASN 119 Cb 0.35 -0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 38.82 1uad n ASN 119 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1uad s VAL 120 N -3.20 2.83 -0.29 2.41 0.11 -1.19 -4.85 120.40 116.23 1uad s VAL 120 Ca 0.47 0.73 -0.43 0.00 -2.93 0.00 0.00 61.98 59.81 1uad s VAL 120 Cb 0.41 -3.46 -0.19 0.00 -1.53 0.00 0.00 36.38 31.61 1uad s VAL 120 CO 0.03 0.13 1.47 -2.65 -3.33 0.00 0.00 175.10 170.75 1uad n PRO 121 N 2.06 0.28 -3.68 1.54 -0.02 -1.26 -4.89 135.00 129.03 1uad n PRO 121 Ca 0.05 0.10 -0.14 0.00 -2.02 0.00 0.00 63.50 61.50 1uad n PRO 121 Cb 0.41 -1.64 -0.08 0.00 -0.02 0.00 0.00 33.50 32.17 1uad n PRO 121 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1uad s PHE 122 N 2.11 -0.64 -0.02 6.00 5.36 -1.26 -1.61 117.98 127.92 1uad s PHE 122 Ca 0.99 1.56 0.01 0.00 -0.96 0.00 0.00 56.93 58.53 1uad s PHE 122 Cb -1.33 0.22 0.01 0.00 -0.34 0.00 0.00 43.02 41.59 1uad s PHE 122 CO 0.70 -0.31 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.61 1uad s LEU 123 N 0.33 1.63 -0.23 6.12 1.02 -0.70 -4.32 118.68 122.54 1uad s LEU 123 Ca -0.00 -0.08 -0.19 0.00 0.02 0.00 0.00 54.13 53.88 1uad s LEU 123 Cb -0.04 -0.28 -0.03 0.00 0.02 0.00 0.00 46.19 45.86 1uad s LEU 123 CO 0.00 -0.01 0.54 -0.22 0.02 0.00 0.00 176.35 176.69 1uad s LEU 124 N 0.42 4.10 -0.21 1.79 2.96 -0.62 -0.88 118.68 126.24 1uad s LEU 124 Ca -0.05 0.64 -0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1uad s LEU 124 Cb -0.08 -2.73 0.02 0.00 0.50 0.00 0.00 46.19 43.90 1uad s LEU 124 CO -0.00 -0.25 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.95 1uad s VAL 125 N 2.00 2.44 -0.63 1.68 1.01 0.82 -1.83 120.40 125.89 1uad s VAL 125 Ca 0.24 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 1uad s VAL 125 Cb -0.16 -2.12 0.13 0.00 0.00 0.00 0.00 36.38 34.24 1uad s VAL 125 CO 0.09 0.41 0.67 -0.83 0.00 0.00 0.00 175.10 175.44 1uad s GLY 126 N 1.31 2.04 0.60 4.51 0.00 -0.17 -1.25 107.32 114.37 1uad s GLY 126 Ca 0.03 -2.55 -0.06 0.00 0.00 0.00 0.00 44.72 42.13 1uad s GLY 126 CO -0.09 1.42 0.92 0.21 0.00 0.00 0.00 173.10 175.56 1uad s ASN 127 N 3.38 5.56 -0.35 1.64 2.47 0.29 -0.56 114.94 127.37 1uad s ASN 127 Ca 0.11 0.73 -0.01 0.00 0.42 0.00 0.00 52.86 54.11 1uad s ASN 127 Cb -0.23 -1.70 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 1uad s ASN 127 CO 0.02 -1.10 0.14 0.29 -3.72 0.00 0.00 177.10 172.73 1uad n LYS 128 N -2.62 -1.13 0.33 0.43 5.02 0.16 -1.58 118.16 118.77 1uad n LYS 128 Ca 0.05 0.20 0.21 0.00 -2.02 0.00 0.00 58.31 56.75 1uad n LYS 128 Cb 0.58 -3.59 1.14 0.00 -0.02 0.00 0.00 35.03 33.14 1uad n LYS 128 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1uad h SER 129 N -0.33 0.00 0.78 4.39 4.64 -0.97 -1.06 113.55 121.01 1uad h SER 129 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1uad h SER 129 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1uad h SER 129 CO 0.13 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.19 1uad n ASP 130 N -3.20 0.32 -2.87 4.97 5.75 -1.26 -3.42 116.55 116.84 1uad n ASP 130 Ca -0.03 0.56 -0.38 0.00 -0.01 0.00 0.00 54.79 54.94 1uad n ASP 130 Cb 0.10 -0.64 0.03 0.00 -1.03 0.00 0.00 41.12 39.59 1uad n ASP 130 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1uad n LEU 131 N -1.84 7.02 -0.12 -2.12 4.77 -0.40 -4.75 117.00 119.55 1uad n LEU 131 Ca 0.04 -4.93 0.14 0.00 -0.03 0.00 0.00 56.01 51.23 1uad n LEU 131 Cb 0.25 -0.96 0.51 0.00 -2.33 0.00 0.00 43.42 40.89 1uad n LEU 131 CO 0.20 1.86 1.20 -0.08 -1.33 0.00 0.00 177.39 179.24 1uad h GLU 132 N 2.97 0.39 0.00 3.23 4.57 -1.78 -0.88 114.58 123.08 1uad h GLU 132 Ca 0.52 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 1uad h GLU 132 Cb 0.19 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1uad h GLU 132 CO 1.32 0.26 0.00 -0.44 -1.18 0.00 0.00 179.01 178.97 1uad h ASP 133 N 0.40 0.00 -0.22 1.04 3.45 -1.93 -2.48 116.42 116.68 1uad h ASP 133 Ca 0.32 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.78 1uad h ASP 133 Cb 0.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 1uad h ASP 133 CO -0.09 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.87 1uad n LYS 134 N -2.92 2.79 -1.66 3.56 5.02 -0.35 -5.04 118.16 119.56 1uad n LYS 134 Ca -0.01 -2.11 -0.46 0.00 -2.02 0.00 0.00 58.31 53.71 1uad n LYS 134 Cb 0.14 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1uad n LYS 134 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1uad n ARG 135 N -0.06 2.01 -0.00 1.97 0.63 -0.94 -4.35 116.66 115.92 1uad n ARG 135 Ca 0.11 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 1uad n ARG 135 Cb 0.49 -2.41 -0.00 0.00 0.45 0.00 0.00 32.46 30.98 1uad n ARG 135 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1uad n GLN 136 N 2.55 1.61 -4.30 -0.14 6.02 0.24 -4.92 117.38 118.43 1uad n GLN 136 Ca 0.14 -0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.79 1uad n GLN 136 Cb 0.30 -0.89 -0.15 0.00 1.02 0.00 0.00 30.24 30.51 1uad n GLN 136 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1uad s VAL 137 N -1.79 2.70 0.46 5.09 1.01 -0.66 -4.69 120.40 122.51 1uad s VAL 137 Ca -0.00 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 1uad s VAL 137 Cb 0.00 -2.16 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 1uad s VAL 137 CO 0.01 0.50 1.01 -0.94 0.00 0.00 0.00 175.10 175.69 1uad s SER 138 N 1.06 6.58 0.19 3.32 1.04 -1.26 -4.92 113.70 119.71 1uad s SER 138 Ca -0.01 1.88 -0.12 0.00 0.48 0.00 0.00 55.95 58.18 1uad s SER 138 Cb -0.15 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.58 1uad s SER 138 CO -0.04 -0.61 1.80 0.58 0.98 0.00 0.00 173.24 175.95 1uad h VAL 139 N 1.76 0.98 -0.21 5.02 2.07 -1.99 -1.88 116.25 122.01 1uad h VAL 139 Ca -0.49 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1uad h VAL 139 Cb 1.21 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1uad h VAL 139 CO 0.60 0.11 -0.04 -0.33 0.02 0.00 0.00 177.57 177.93 1uad h GLU 140 N 0.60 0.02 -0.25 1.57 4.39 -1.99 0.67 114.58 119.58 1uad h GLU 140 Ca 0.25 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.98 1uad h GLU 140 Cb 0.12 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1uad h GLU 140 CO -0.15 0.01 0.07 0.93 -1.16 0.00 0.00 179.01 178.71 1uad h GLU 141 N 0.02 0.17 -0.40 2.33 5.08 -1.84 -1.10 114.58 118.83 1uad h GLU 141 Ca 0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1uad h GLU 141 Cb 0.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1uad h GLU 141 CO -0.20 0.11 0.25 0.00 -1.00 0.00 0.00 179.01 178.17 1uad h ALA 142 N 1.17 0.52 -0.39 3.43 0.00 -0.99 -2.55 119.26 120.45 1uad h ALA 142 Ca 0.11 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1uad h ALA 142 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1uad h ALA 142 CO -0.13 0.00 0.23 0.87 0.00 0.00 0.00 179.25 180.22 1uad h LYS 143 N 0.54 0.46 -0.69 0.00 1.57 -0.56 -2.03 116.57 115.85 1uad h LYS 143 Ca 0.15 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 1uad h LYS 143 Cb -0.01 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.14 1uad h LYS 143 CO -0.03 0.30 0.38 -0.91 -0.57 0.00 0.00 179.45 178.62 1uad h ASN 144 N 0.47 0.56 -0.74 0.86 2.35 -1.00 -0.63 115.58 117.45 1uad h ASN 144 Ca 0.15 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 1uad h ASN 144 Cb 0.00 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1uad h ASN 144 CO -0.07 0.35 0.22 -0.09 -1.65 0.00 0.00 177.43 176.19 1uad h ARG 145 N 0.69 1.15 -0.66 0.81 2.43 -1.17 -1.01 114.38 116.63 1uad h ARG 145 Ca 0.31 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1uad h ARG 145 Cb 0.21 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1uad h ARG 145 CO -0.19 0.99 0.28 0.00 -1.51 0.00 0.00 179.97 179.54 1uad h ALA 146 N 1.11 0.86 -0.20 2.80 0.00 -0.61 -1.97 119.26 121.24 1uad h ALA 146 Ca 0.24 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1uad h ALA 146 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1uad h ALA 146 CO -0.00 0.46 -0.33 0.93 0.00 0.00 0.00 179.25 180.31 1uad h GLU 147 N 0.93 0.42 -0.76 0.00 5.08 -0.86 0.58 114.58 119.97 1uad h GLU 147 Ca 0.22 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1uad h GLU 147 Cb 0.18 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1uad h GLU 147 CO -0.02 0.70 0.30 0.37 -1.00 0.00 0.00 179.01 179.36 1uad h GLN 148 N 0.36 1.14 -0.00 2.33 5.75 -0.78 -1.75 115.11 122.16 1uad h GLN 148 Ca 0.04 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1uad h GLN 148 Cb 0.76 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1uad h GLN 148 CO 0.06 0.92 -0.16 0.91 -2.65 0.00 0.00 178.83 177.91 1uad n TRP 149 N -4.28 0.00 -3.21 3.99 8.01 -0.78 -4.95 117.44 116.23 1uad n TRP 149 Ca 0.07 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.10 1uad n TRP 149 Cb 0.19 -0.20 0.07 0.00 -2.01 0.00 0.00 31.31 29.35 1uad n TRP 149 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1uad n ASN 150 N -1.00 -3.49 -4.15 -0.99 5.15 -0.01 -5.03 115.26 105.74 1uad n ASN 150 Ca 0.13 -0.45 -0.11 0.00 -0.60 0.00 0.00 54.58 53.55 1uad n ASN 150 Cb 0.30 -4.03 -0.10 0.00 -0.53 0.00 0.00 39.78 35.41 1uad n ASN 150 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1uad s VAL 151 N -3.26 0.65 0.53 3.44 -7.23 -0.03 -5.02 120.40 109.48 1uad s VAL 151 Ca 0.20 -1.77 -0.18 0.00 -1.81 0.00 0.00 61.98 58.42 1uad s VAL 151 Cb -0.09 -1.47 -0.07 0.00 0.56 0.00 0.00 36.38 35.32 1uad s VAL 151 CO 0.56 -0.78 1.03 0.20 -0.31 0.00 0.00 175.10 175.80 1uad s ASN 152 N -2.75 6.22 -0.08 4.85 0.01 -1.26 -4.11 114.94 117.81 1uad s ASN 152 Ca 0.07 1.81 0.04 0.00 -0.71 0.00 0.00 52.86 54.08 1uad s ASN 152 Cb 0.02 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.14 1uad s ASN 152 CO -0.04 -0.86 -0.23 -0.47 -1.51 0.00 0.00 177.10 173.99 1uad s TYR 153 N -2.27 2.54 -0.01 2.20 5.04 -1.26 -1.59 117.35 122.00 1uad s TYR 153 Ca 0.64 -0.81 0.01 0.00 -2.44 0.00 0.00 57.07 54.47 1uad s TYR 153 Cb -0.15 -1.67 0.01 0.00 0.35 0.00 0.00 41.96 40.50 1uad s TYR 153 CO 0.28 -0.27 -0.01 0.08 -1.34 0.00 0.00 175.55 174.28 1uad s VAL 154 N 0.06 0.15 -0.14 3.14 1.01 -0.76 -5.00 120.40 118.85 1uad s VAL 154 Ca -0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1uad s VAL 154 Cb -0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1uad s VAL 154 CO 0.06 0.08 0.14 -1.61 0.00 0.00 0.00 175.10 173.76 1uad s GLU 155 N 0.35 3.66 0.28 2.72 2.02 -1.26 -1.00 118.70 125.46 1uad s GLU 155 Ca -0.03 -0.16 0.04 0.00 0.02 0.00 0.00 54.97 54.84 1uad s GLU 155 Cb -0.05 -3.25 -0.06 0.00 0.10 0.00 0.00 34.13 30.86 1uad s GLU 155 CO -0.01 0.64 0.03 0.95 0.02 0.00 0.00 175.26 176.90 1uad s THR 156 N -0.62 1.09 -0.20 3.63 -4.23 0.27 -4.64 115.64 110.94 1uad s THR 156 Ca 0.13 -2.02 -0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1uad s THR 156 Cb -0.12 -2.60 0.08 0.00 1.34 0.00 0.00 72.50 71.21 1uad s THR 156 CO 0.02 -0.13 0.18 -0.55 -0.54 0.00 0.00 174.62 173.60 1uad s SER 157 N -3.40 1.79 0.57 3.99 0.15 -1.02 -0.43 113.70 115.37 1uad s SER 157 Ca 0.34 -0.42 0.35 0.00 0.70 0.00 0.00 55.95 56.92 1uad s SER 157 Cb 0.07 0.15 1.65 0.00 -1.71 0.00 0.00 66.02 66.19 1uad s SER 157 CO 0.13 -0.34 2.10 0.00 1.20 0.00 0.00 173.24 176.32 1uad h ALA 158 N 8.35 1.04 0.13 5.45 0.00 -1.91 0.62 119.26 132.94 1uad h ALA 158 Ca -0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1uad h ALA 158 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1uad h ALA 158 CO 0.29 0.04 -0.06 -0.22 0.00 0.00 0.00 179.25 179.30 1uad h LYS 159 N 0.00 -0.16 -0.00 0.00 3.64 -1.94 -3.33 116.57 114.77 1uad h LYS 159 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1uad h LYS 159 Cb 0.36 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1uad h LYS 159 CO 0.00 0.24 -0.44 0.25 -2.27 0.00 0.00 179.45 177.23 1uad n THR 160 N -4.86 0.00 -0.99 1.00 -2.24 -1.21 -4.94 114.28 101.05 1uad n THR 160 Ca -0.06 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1uad n THR 160 Cb 0.24 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1uad n THR 160 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1uad n ARG 161 N -1.39 -0.61 -1.67 -0.78 0.63 0.22 -4.97 116.66 108.08 1uad n ARG 161 Ca 0.07 0.15 -0.46 0.00 -0.92 0.00 0.00 57.85 56.68 1uad n ARG 161 Cb 0.34 -3.62 -0.04 0.00 0.45 0.00 0.00 32.46 29.58 1uad n ARG 161 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uad n ALA 162 N 1.00 1.26 -0.80 5.13 0.00 -1.06 -1.96 120.51 124.08 1uad n ALA 162 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1uad n ALA 162 Cb 0.15 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1uad n ALA 162 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1uad n ASN 163 N 4.20 -4.12 0.05 0.00 5.03 -1.26 -2.42 115.26 116.74 1uad n ASN 163 Ca 0.18 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.50 1uad n ASN 163 Cb 0.29 -3.02 -0.08 0.00 -1.02 0.00 0.00 39.78 35.94 1uad n ASN 163 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1uad h VAL 164 N 0.00 1.08 -0.80 2.41 2.07 -1.70 -1.62 116.25 117.69 1uad h VAL 164 Ca 0.00 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1uad h VAL 164 Cb 0.69 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1uad h VAL 164 CO 0.00 0.13 0.40 0.44 0.02 0.00 0.00 177.57 178.56 1uad h ASP 165 N -0.34 1.02 -0.35 0.57 3.32 -1.88 -2.84 116.42 115.92 1uad h ASP 165 Ca -0.01 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 56.97 1uad h ASP 165 Cb 0.29 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1uad h ASP 165 CO 0.02 0.85 0.12 0.50 -1.72 0.00 0.00 179.24 179.01 1uad h LYS 166 N 1.13 0.26 -0.62 3.56 3.64 -1.88 -0.07 116.57 122.59 1uad h LYS 166 Ca 0.28 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1uad h LYS 166 Cb 0.09 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1uad h LYS 166 CO -0.04 0.17 0.22 -0.39 -2.27 0.00 0.00 179.45 177.14 1uad h VAL 167 N 0.27 1.23 -0.24 2.00 -1.51 -1.06 0.18 116.25 117.11 1uad h VAL 167 Ca 0.16 -0.75 -0.12 0.00 -1.23 0.00 0.00 66.70 64.76 1uad h VAL 167 Cb 0.14 0.52 -0.00 0.00 -2.13 0.00 0.00 31.29 29.81 1uad h VAL 167 CO -0.17 0.29 -0.32 -0.26 -1.23 0.00 0.00 177.57 175.89 1uad h PHE 168 N 0.90 0.79 -0.27 5.19 0.04 -1.34 -1.92 116.94 120.33 1uad h PHE 168 Ca 0.21 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 1uad h PHE 168 Cb 0.22 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1uad h PHE 168 CO 0.02 0.99 0.01 0.74 -0.60 0.00 0.00 178.31 179.47 1uad h PHE 169 N 0.35 0.50 -0.78 -0.55 -1.00 -0.78 -1.47 116.94 113.22 1uad h PHE 169 Ca 0.03 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 1uad h PHE 169 Cb 0.90 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 40.29 1uad h PHE 169 CO 0.08 0.60 0.40 -0.44 -1.61 0.00 0.00 178.31 177.34 1uad h ASP 170 N 0.25 0.99 -0.73 2.17 3.32 -0.69 0.03 116.42 121.77 1uad h ASP 170 Ca 0.08 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1uad h ASP 170 Cb 0.39 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1uad h ASP 170 CO 0.01 0.82 0.19 0.25 -1.72 0.00 0.00 179.24 178.80 1uad h LEU 171 N 1.08 1.09 -0.91 1.55 5.85 -1.24 -1.99 115.31 120.75 1uad h LEU 171 Ca 0.27 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1uad h LEU 171 Cb 0.07 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1uad h LEU 171 CO -0.04 1.03 0.08 0.24 -0.34 0.00 0.00 178.44 179.41 1uad h MET 172 N 1.10 0.89 -0.43 1.25 2.86 -0.64 -1.43 114.93 118.52 1uad h MET 172 Ca 0.23 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1uad h MET 172 Cb 0.36 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1uad h MET 172 CO -0.00 0.83 0.10 0.00 1.06 0.00 0.00 176.91 178.90 1uad h ARG 173 N 0.84 0.65 -0.13 1.72 3.08 -0.59 0.34 114.38 120.29 1uad h ARG 173 Ca 0.17 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1uad h ARG 173 Cb 0.39 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1uad h ARG 173 CO 0.01 0.60 -0.05 0.93 -1.07 0.00 0.00 179.97 180.39 1uad h GLU 174 N 0.63 0.26 -0.96 0.04 5.08 -0.75 0.16 114.58 119.04 1uad h GLU 174 Ca 0.14 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1uad h GLU 174 Cb 0.25 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1uad h GLU 174 CO -0.00 0.58 0.63 0.82 -1.00 0.00 0.00 179.01 180.05 1uad h ILE 175 N -0.07 1.22 0.52 3.13 2.04 -0.89 0.40 117.51 123.86 1uad h ILE 175 Ca 0.03 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1uad h ILE 175 Cb 0.50 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1uad h ILE 175 CO 0.02 0.23 -0.25 -0.09 0.00 0.00 0.00 178.15 178.05 1uad h ARG 176 N 1.28 -0.68 -0.51 2.37 2.43 -0.07 -1.08 114.38 118.12 1uad h ARG 176 Ca 0.36 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.67 1uad h ARG 176 Cb -0.10 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.52 1uad h ARG 176 CO -0.09 -0.45 0.07 0.00 -1.51 0.00 0.00 179.97 177.98 1uad h ALA 177 N -0.22 0.54 -0.59 2.80 0.00 -0.27 -1.44 119.26 120.08 1uad h ALA 177 Ca -0.07 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1uad h ALA 177 Cb 0.54 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 1uad h ALA 177 CO 0.11 -0.34 0.19 -0.09 0.00 0.00 0.00 179.25 179.13 1uad h ARG 178 N 0.19 0.34 0.00 0.00 9.65 -0.62 0.15 114.38 124.09 1uad h ARG 178 Ca 0.26 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 1uad h ARG 178 Cb 0.37 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1uad h ARG 178 CO -0.37 0.23 0.00 0.87 2.80 0.00 0.00 179.97 183.50 1uad h LYS 179 N 0.35 0.00 -0.02 0.20 1.57 -0.17 -2.68 116.57 115.82 1uad h LYS 179 Ca 0.30 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1uad h LYS 179 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1uad h LYS 179 CO -0.33 0.00 -0.04 0.52 -0.57 0.00 0.00 179.45 179.04 1uad h MET 180 N 0.00 0.06 -0.41 3.15 2.86 -0.30 -2.85 114.93 117.44 1uad h MET 180 Ca 0.00 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1uad h MET 180 Cb 0.40 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1uad h MET 180 CO 0.00 0.60 0.26 0.93 1.06 0.00 0.00 176.91 179.76 1uad h GLU 181 N -0.48 0.51 0.00 1.72 5.08 -1.25 -2.62 114.58 117.55 1uad h GLU 181 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1uad h GLU 181 Cb 0.60 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1uad h GLU 181 CO 0.01 0.34 0.00 -0.25 -1.00 0.00 0.00 179.01 178.11 1uad n ASP 182 N -4.83 0.00 0.00 1.42 10.43 -1.03 -5.14 116.55 117.40 1uad n ASP 182 Ca 0.01 -0.66 0.00 0.00 2.57 0.00 0.00 54.79 56.71 1uad n ASP 182 Cb 0.04 -0.08 0.00 0.00 1.84 0.00 0.00 41.12 42.91 1uad n ASP 182 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93