#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uzh s MET 2 N 0.00 3.45 -0.23 0.03 1.00 -1.26 -5.02 119.30 117.27 1uzh s MET 2 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 55.69 55.28 1uzh s MET 2 Cb 0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 34.83 31.69 1uzh s MET 2 CO 0.00 0.67 0.14 0.08 0.00 0.00 0.00 175.02 175.91 1uzh s VAL 3 N -1.34 5.24 -0.07 -6.03 1.01 -1.26 -4.85 120.40 113.09 1uzh s VAL 3 Ca 0.28 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1uzh s VAL 3 Cb -0.13 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1uzh s VAL 3 CO 0.19 0.37 1.39 0.86 0.00 0.00 0.00 175.10 177.91 1uzh s TRP 4 N 0.95 2.70 0.08 5.22 -0.11 -1.26 -0.64 118.94 125.88 1uzh s TRP 4 Ca 0.07 0.79 -0.30 0.00 1.22 0.00 0.00 56.10 57.88 1uzh s TRP 4 Cb -0.13 -3.64 -0.06 0.00 -1.50 0.00 0.00 33.47 28.15 1uzh s TRP 4 CO 0.03 -2.37 1.11 -0.08 -4.62 0.00 0.00 176.95 171.03 1uzh s THR 5 N 3.11 4.19 -0.97 5.86 -1.32 0.11 -4.92 115.64 121.71 1uzh s THR 5 Ca 0.62 1.66 0.29 0.00 -1.21 0.00 0.00 61.69 63.05 1uzh s THR 5 Cb -0.28 -4.06 0.24 0.00 -1.51 0.00 0.00 72.50 66.89 1uzh s THR 5 CO 0.23 0.18 1.91 -0.81 -2.21 0.00 0.00 174.62 173.91 1uzh n PRO 6 N 3.42 0.03 -3.35 7.08 -0.04 -1.26 -4.72 135.00 136.16 1uzh n PRO 6 Ca 0.06 0.03 -0.38 0.00 -0.04 0.00 0.00 63.50 63.16 1uzh n PRO 6 Cb 0.47 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 1uzh n PRO 6 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uzh s VAL 7 N -3.01 5.17 -1.31 0.52 1.01 -1.26 -4.43 120.40 117.09 1uzh s VAL 7 Ca 0.14 0.78 -0.22 0.00 0.00 0.00 0.00 61.98 62.68 1uzh s VAL 7 Cb 0.18 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1uzh s VAL 7 CO 0.54 0.23 0.50 0.59 0.00 0.00 0.00 175.10 176.96 1uzh n ASN 8 N 4.53 -2.65 -1.87 3.32 5.03 -1.26 -4.88 115.26 117.48 1uzh n ASN 8 Ca -0.07 -1.25 -0.10 0.00 0.87 0.00 0.00 54.58 54.03 1uzh n ASN 8 Cb 0.51 -1.89 0.07 0.00 -1.02 0.00 0.00 39.78 37.44 1uzh n ASN 8 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1uzh n ASN 9 N -2.45 3.11 -4.76 6.41 4.05 -1.08 -2.41 115.26 118.14 1uzh n ASN 9 Ca -0.18 -3.21 -0.38 0.00 0.45 0.00 0.00 54.58 51.26 1uzh n ASN 9 Cb 0.61 -0.41 0.03 0.00 1.23 0.00 0.00 39.78 41.24 1uzh n ASN 9 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1uzh s LYS 10 N -3.21 3.28 0.31 1.20 -0.14 -0.39 -4.83 119.74 115.97 1uzh s LYS 10 Ca 0.41 2.07 0.08 0.00 -1.36 0.00 0.00 55.97 57.16 1uzh s LYS 10 Cb 0.38 -2.26 -0.06 0.00 -1.68 0.00 0.00 37.83 34.21 1uzh s LYS 10 CO -0.02 -1.02 -0.07 -1.64 -0.76 0.00 0.00 175.35 171.84 1uzh s MET 11 N -2.90 1.68 -0.30 1.68 -1.94 -1.26 -4.67 119.30 111.59 1uzh s MET 11 Ca 0.70 -1.86 0.20 0.00 -1.71 0.00 0.00 55.69 53.02 1uzh s MET 11 Cb -0.36 -1.38 0.48 0.00 2.01 0.00 0.00 34.83 35.57 1uzh s MET 11 CO 0.43 0.07 1.05 1.19 -0.01 0.00 0.00 175.02 177.74 1uzh n PHE 12 N -0.68 1.01 -4.79 -0.03 3.01 -1.26 -5.08 117.46 109.63 1uzh n PHE 12 Ca -0.05 -2.46 0.00 0.00 1.01 0.00 0.00 57.45 55.95 1uzh n PHE 12 Cb 0.64 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1uzh n PHE 12 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1uzh n GLU 13 N -0.34 0.00 -1.68 -1.08 -0.58 -1.26 -4.67 120.64 111.03 1uzh n GLU 13 Ca 0.07 0.00 -0.47 0.00 -0.42 0.00 0.00 57.16 56.34 1uzh n GLU 13 Cb 0.81 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.64 1uzh n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1uzh n THR 14 N 0.00 0.34 -0.49 2.62 -1.04 -1.26 -1.37 114.28 113.08 1uzh n THR 14 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1uzh n THR 14 Cb 0.00 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 1uzh n THR 14 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1uzh n PHE 15 N 5.29 0.00 0.40 -1.42 0.99 -1.26 -4.63 117.46 116.82 1uzh n PHE 15 Ca 0.20 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.73 1uzh n PHE 15 Cb 0.29 0.00 0.35 0.00 -1.00 0.00 0.00 39.48 39.12 1uzh n PHE 15 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1uzh n SER 16 N 0.00 0.23 -0.83 4.37 3.41 -0.47 -1.85 113.62 118.48 1uzh n SER 16 Ca 0.00 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 1uzh n SER 16 Cb 0.00 -0.61 0.24 0.00 -0.26 0.00 0.00 64.21 63.58 1uzh n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1uzh n TYR 17 N -1.76 0.08 -3.01 7.33 4.02 -1.26 -4.90 117.16 117.66 1uzh n TYR 17 Ca 0.02 -0.04 -0.19 0.00 -0.01 0.00 0.00 57.90 57.68 1uzh n TYR 17 Cb 0.16 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.50 1uzh n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1uzh s LEU 18 N -1.91 3.62 0.71 7.72 1.43 -0.77 -5.08 118.68 124.40 1uzh s LEU 18 Ca 0.32 -0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 1uzh s LEU 18 Cb 0.20 -2.81 0.01 0.00 0.03 0.00 0.00 46.19 43.62 1uzh s LEU 18 CO 0.31 -0.78 1.02 -2.65 0.23 0.00 0.00 176.35 174.48 1uzh n PRO 19 N -1.97 0.59 -1.63 1.29 -0.02 -1.26 -4.91 135.00 127.09 1uzh n PRO 19 Ca 0.05 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1uzh n PRO 19 Cb 0.59 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1uzh n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1uzh n PRO 20 N -1.90 1.52 -2.49 0.52 -0.02 -1.26 -4.88 135.00 126.49 1uzh n PRO 20 Ca 0.13 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1uzh n PRO 20 Cb 0.49 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1uzh n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uzh s LEU 21 N -0.52 4.35 0.86 2.45 1.43 -1.26 -5.02 118.68 120.98 1uzh s LEU 21 Ca 0.61 1.91 -0.12 0.00 -1.03 0.00 0.00 54.13 55.50 1uzh s LEU 21 Cb -0.58 -3.57 0.11 0.00 0.03 0.00 0.00 46.19 42.17 1uzh s LEU 21 CO 0.58 -0.44 1.10 0.42 0.23 0.00 0.00 176.35 178.24 1uzh s THR 22 N 1.24 2.64 0.26 5.49 -4.23 -1.26 -4.81 115.64 114.97 1uzh s THR 22 Ca 0.57 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 61.26 1uzh s THR 22 Cb -0.27 -2.88 0.24 0.00 1.34 0.00 0.00 72.50 70.93 1uzh s THR 22 CO 0.28 -0.27 1.83 0.44 -0.54 0.00 0.00 174.62 176.35 1uzh h ASP 23 N -1.35 0.80 -0.62 3.99 3.32 -1.99 -0.02 116.42 120.55 1uzh h ASP 23 Ca -0.49 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 1uzh h ASP 23 Cb 1.29 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1uzh h ASP 23 CO 0.59 0.45 0.11 -0.08 -1.72 0.00 0.00 179.24 178.58 1uzh h GLU 24 N 0.90 1.04 -0.42 3.56 4.81 -1.98 -0.54 114.58 121.95 1uzh h GLU 24 Ca 0.43 -0.27 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1uzh h GLU 24 Cb 0.37 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1uzh h GLU 24 CO -0.24 0.96 -0.13 1.96 -0.73 0.00 0.00 179.01 180.82 1uzh h GLN 25 N 0.98 0.83 -0.43 1.92 4.20 -1.70 -0.54 115.11 120.37 1uzh h GLN 25 Ca 0.20 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1uzh h GLN 25 Cb 0.42 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1uzh h GLN 25 CO 0.01 0.96 0.24 0.82 -0.67 0.00 0.00 178.83 180.19 1uzh h ILE 26 N 0.65 1.16 -0.70 2.54 2.04 -0.87 -2.11 117.51 120.22 1uzh h ILE 26 Ca 0.10 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1uzh h ILE 26 Cb 0.67 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1uzh h ILE 26 CO 0.05 0.16 0.46 0.00 0.00 0.00 0.00 178.15 178.82 1uzh h ALA 27 N 1.09 1.50 -0.61 1.87 0.00 -0.94 -1.34 119.26 120.83 1uzh h ALA 27 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1uzh h ALA 27 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1uzh h ALA 27 CO -0.02 0.46 0.07 0.00 0.00 0.00 0.00 179.25 179.76 1uzh h ALA 28 N 1.56 0.96 -0.65 0.00 0.00 -0.80 -1.27 119.26 119.07 1uzh h ALA 28 Ca 0.26 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1uzh h ALA 28 Cb -0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1uzh h ALA 28 CO -0.06 0.64 0.12 1.96 0.00 0.00 0.00 179.25 181.92 1uzh h GLN 29 N 0.95 1.04 -0.75 0.00 1.08 -0.70 -1.70 115.11 115.03 1uzh h GLN 29 Ca 0.18 -0.26 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 1uzh h GLN 29 Cb 0.46 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 1uzh h GLN 29 CO 0.02 0.94 0.27 0.28 -0.95 0.00 0.00 178.83 179.39 1uzh h VAL 30 N 0.98 1.26 -0.87 -0.54 2.07 -1.05 -1.73 116.25 116.37 1uzh h VAL 30 Ca 0.20 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1uzh h VAL 30 Cb 0.39 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1uzh h VAL 30 CO 0.01 0.34 0.57 0.44 0.02 0.00 0.00 177.57 178.95 1uzh h ASP 31 N 1.10 0.97 -0.38 0.57 3.32 -0.88 -1.81 116.42 119.32 1uzh h ASP 31 Ca 0.25 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1uzh h ASP 31 Cb 0.26 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1uzh h ASP 31 CO -0.01 0.69 0.24 0.22 -1.72 0.00 0.00 179.24 178.65 1uzh h TYR 32 N 1.14 0.48 -0.10 4.55 3.20 -0.61 0.20 116.97 125.83 1uzh h TYR 32 Ca 0.33 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.24 1uzh h TYR 32 Cb -0.06 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 1uzh h TYR 32 CO -0.00 0.32 -0.12 0.82 -1.64 0.00 0.00 178.16 177.54 1uzh h ILE 33 N 0.50 0.67 -0.25 1.81 2.04 -0.87 -2.31 117.51 119.10 1uzh h ILE 33 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 1uzh h ILE 33 Cb -0.03 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1uzh h ILE 33 CO -0.03 0.00 0.08 0.58 0.00 0.00 0.00 178.15 178.78 1uzh h VAL 34 N -0.16 1.20 -0.29 1.67 2.07 -1.10 -2.31 116.25 117.33 1uzh h VAL 34 Ca 0.08 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 67.03 1uzh h VAL 34 Cb 0.27 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1uzh h VAL 34 CO -0.20 0.21 0.20 0.00 0.02 0.00 0.00 177.57 177.80 1uzh h ALA 35 N 0.90 2.12 -0.02 1.67 0.00 -0.50 -2.26 119.26 121.17 1uzh h ALA 35 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1uzh h ALA 35 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1uzh h ALA 35 CO -0.00 -0.19 -0.03 0.09 0.00 0.00 0.00 179.25 179.12 1uzh n ASN 36 N -4.47 2.25 -0.39 0.00 3.02 -0.88 -4.96 115.26 109.82 1uzh n ASN 36 Ca 0.03 -1.72 -0.05 0.00 -0.03 0.00 0.00 54.58 52.81 1uzh n ASN 36 Cb 0.28 0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.46 1uzh n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uzh n GLY 37 N 1.28 0.77 3.90 7.41 0.00 -0.85 -5.02 105.19 112.67 1uzh n GLY 37 Ca 0.16 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 1uzh n GLY 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uzh s TRP 38 N -2.15 3.33 -0.40 1.61 0.51 -0.92 -4.98 118.94 115.94 1uzh s TRP 38 Ca 0.00 0.84 -0.18 0.00 -2.12 0.00 0.00 56.10 54.63 1uzh s TRP 38 Cb 0.00 -2.82 0.01 0.00 -0.81 0.00 0.00 33.47 29.86 1uzh s TRP 38 CO 0.00 -0.90 0.50 0.42 -0.51 0.00 0.00 176.95 176.46 1uzh s ILE 39 N -3.11 5.02 0.47 2.03 1.01 0.57 -4.75 121.20 122.44 1uzh s ILE 39 Ca 0.55 -0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.94 1uzh s ILE 39 Cb -0.11 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 1uzh s ILE 39 CO 0.48 -0.38 1.13 -2.84 0.00 0.00 0.00 174.94 173.32 1uzh s PRO 40 N 2.35 3.75 -0.04 2.79 0.02 -1.26 0.23 135.00 142.83 1uzh s PRO 40 Ca 0.16 1.66 -0.21 0.00 0.02 0.00 0.00 61.00 62.63 1uzh s PRO 40 Cb -0.16 -2.32 0.04 0.00 0.02 0.00 0.00 34.50 32.09 1uzh s PRO 40 CO 0.15 -0.53 0.46 0.00 -0.33 0.00 0.00 177.00 176.75 1uzh s LEU 42 N -1.13 3.02 0.04 0.00 1.43 -1.26 -0.86 118.68 119.91 1uzh s LEU 42 Ca -0.11 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1uzh s LEU 42 Cb -0.03 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1uzh s LEU 42 CO 0.06 0.30 -0.06 -1.61 0.23 0.00 0.00 176.35 175.27 1uzh s GLU 43 N -1.24 0.49 0.10 1.70 2.02 -0.72 -0.85 118.70 120.20 1uzh s GLU 43 Ca 0.15 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.30 1uzh s GLU 43 Cb -0.11 -0.17 -0.01 0.00 0.10 0.00 0.00 34.13 33.94 1uzh s GLU 43 CO 0.05 0.02 0.19 -0.59 0.02 0.00 0.00 175.26 174.95 1uzh s PHE 44 N -1.57 0.22 -0.06 1.61 -0.12 0.03 -0.72 117.98 117.37 1uzh s PHE 44 Ca -0.10 -0.65 -0.31 0.00 -0.05 0.00 0.00 56.93 55.83 1uzh s PHE 44 Cb -0.09 -0.08 0.08 0.00 -0.63 0.00 0.00 43.02 42.30 1uzh s PHE 44 CO -0.00 -0.56 0.73 0.00 -0.05 0.00 0.00 175.22 175.33 1uzh s ALA 45 N -3.88 -1.79 0.15 1.99 0.00 -0.50 -0.85 121.76 116.88 1uzh s ALA 45 Ca 0.07 1.34 -0.14 0.00 0.00 0.00 0.00 51.96 53.24 1uzh s ALA 45 Cb 0.05 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1uzh s ALA 45 CO -0.09 -0.37 1.71 0.93 0.00 0.00 0.00 175.76 177.94 1uzh h GLU 46 N 2.91 0.73 -5.39 0.00 5.08 -1.92 0.27 114.58 116.26 1uzh h GLU 46 Ca -0.26 -0.13 -0.41 0.00 -1.00 0.00 0.00 59.36 57.56 1uzh h GLU 46 Cb 1.15 -0.12 -0.19 0.00 0.50 0.00 0.00 28.75 30.09 1uzh h GLU 46 CO 0.38 0.64 -0.76 -1.01 -1.00 0.00 0.00 179.01 177.26 1uzh s HIS 47 N -5.57 1.37 -0.24 4.33 3.76 -1.26 -4.52 115.29 113.15 1uzh s HIS 47 Ca -0.13 -0.55 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 1uzh s HIS 47 Cb 0.11 -0.72 0.06 0.00 1.11 0.00 0.00 32.58 33.14 1uzh s HIS 47 CO 0.77 0.13 -0.06 0.45 -0.85 0.00 0.00 174.74 175.18 1uzh s SER 48 N -2.39 3.96 -0.05 1.40 0.15 -1.26 -4.97 113.70 110.53 1uzh s SER 48 Ca 0.08 -1.22 0.06 0.00 0.70 0.00 0.00 55.95 55.56 1uzh s SER 48 Cb -0.05 -1.25 -0.01 0.00 -1.71 0.00 0.00 66.02 63.00 1uzh s SER 48 CO 0.03 -0.23 -0.23 0.20 1.20 0.00 0.00 173.24 174.20 1uzh s ASN 49 N 1.34 2.88 0.48 5.45 0.01 -1.26 -5.04 114.94 118.80 1uzh s ASN 49 Ca -0.06 -0.48 0.20 0.00 -0.71 0.00 0.00 52.86 51.80 1uzh s ASN 49 Cb -0.19 -0.78 1.21 0.00 0.41 0.00 0.00 41.25 41.90 1uzh s ASN 49 CO -0.06 0.23 1.97 1.55 -1.51 0.00 0.00 177.10 179.28 1uzh h PRO 50 N 6.09 0.21 0.00 -0.60 0.13 -1.99 -0.79 132.00 135.05 1uzh h PRO 50 Ca -0.32 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1uzh h PRO 50 Cb 1.17 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1uzh h PRO 50 CO 0.47 0.14 0.00 0.93 -0.23 0.00 0.00 178.00 179.31 1uzh h GLU 51 N 0.22 0.00 -5.01 0.86 3.07 -2.04 -3.43 114.58 108.24 1uzh h GLU 51 Ca 0.29 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.46 1uzh h GLU 51 Cb 0.83 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.56 1uzh h GLU 51 CO -0.05 0.00 -0.03 -1.21 -1.40 0.00 0.00 179.01 176.31 1uzh s GLU 52 N -3.48 3.14 0.00 2.33 0.41 -0.30 -4.97 118.70 115.83 1uzh s GLU 52 Ca 0.03 -0.75 -0.25 0.00 -0.41 0.00 0.00 54.97 53.60 1uzh s GLU 52 Cb 0.09 -4.02 -0.18 0.00 -1.78 0.00 0.00 34.13 28.23 1uzh s GLU 52 CO 0.52 -1.05 1.30 0.74 -0.49 0.00 0.00 175.26 176.28 1uzh h PHE 53 N 8.87 -0.14 -2.85 1.61 0.04 -1.85 -3.45 116.94 119.16 1uzh h PHE 53 Ca -0.27 -0.00 -0.64 0.00 2.80 0.00 0.00 57.97 59.86 1uzh h PHE 53 Cb 1.10 0.05 -0.06 0.00 2.20 0.00 0.00 35.95 39.23 1uzh h PHE 53 CO 0.70 0.22 -0.34 0.71 -0.60 0.00 0.00 178.31 179.00 1uzh s TYR 54 N -4.61 3.65 0.54 -0.55 2.02 -1.26 -5.10 117.35 112.04 1uzh s TYR 54 Ca -0.15 0.75 0.05 0.00 -0.37 0.00 0.00 57.07 57.36 1uzh s TYR 54 Cb 0.02 -2.13 0.05 0.00 -0.40 0.00 0.00 41.96 39.51 1uzh s TYR 54 CO 0.62 0.67 0.45 0.91 -1.57 0.00 0.00 175.55 176.62 1uzh n TRP 55 N 2.00 -0.81 -3.19 2.71 7.02 -1.26 -5.09 117.44 118.82 1uzh n TRP 55 Ca -0.17 -2.24 -0.39 0.00 -1.02 0.00 0.00 57.50 53.68 1uzh n TRP 55 Cb 0.54 -0.45 -0.05 0.00 -2.42 0.00 0.00 31.31 28.92 1uzh n TRP 55 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1uzh s THR 56 N -2.64 5.00 0.13 -0.99 2.01 -0.03 -4.87 115.64 114.25 1uzh s THR 56 Ca 0.34 1.23 -0.30 0.00 0.31 0.00 0.00 61.69 63.27 1uzh s THR 56 Cb -0.03 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.48 1uzh s THR 56 CO 0.22 0.36 1.26 -0.32 -0.69 0.00 0.00 174.62 175.44 1uzh s MET 57 N 0.21 4.42 -0.44 4.92 1.75 -1.26 -0.79 119.30 128.11 1uzh s MET 57 Ca 0.32 1.90 -0.26 0.00 -1.25 0.00 0.00 55.69 56.40 1uzh s MET 57 Cb -0.17 -3.28 0.02 0.00 2.84 0.00 0.00 34.83 34.25 1uzh s MET 57 CO 0.16 -0.25 0.96 -0.46 -0.65 0.00 0.00 175.02 174.78 1uzh s TRP 58 N 0.64 2.95 0.00 4.11 -0.11 -0.03 -4.89 118.94 121.60 1uzh s TRP 58 Ca 0.58 0.54 0.00 0.00 1.22 0.00 0.00 56.10 58.44 1uzh s TRP 58 Cb -0.33 -3.96 0.00 0.00 -1.50 0.00 0.00 33.47 27.68 1uzh s TRP 58 CO 0.33 -1.06 0.00 1.63 -4.62 0.00 0.00 176.95 173.23 1uzh n LYS 59 N 7.17 0.00 -4.25 5.86 5.02 -1.26 -4.51 118.16 126.19 1uzh n LYS 59 Ca 0.07 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 1uzh n LYS 59 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 1uzh n LYS 59 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uzh s LEU 60 N 0.00 2.52 0.52 -0.35 1.43 -1.26 -5.11 118.68 116.43 1uzh s LEU 60 Ca 0.00 -0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 51.89 1uzh s LEU 60 Cb 0.00 -0.36 -0.06 0.00 0.03 0.00 0.00 46.19 45.80 1uzh s LEU 60 CO 0.00 -0.32 1.22 -2.65 0.23 0.00 0.00 176.35 174.83 1uzh n PRO 61 N -0.13 1.53 -2.18 1.29 -0.02 -1.26 -4.82 135.00 129.40 1uzh n PRO 61 Ca -0.11 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1uzh n PRO 61 Cb 0.60 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1uzh n PRO 61 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1uzh n MET 62 N -0.68 3.47 -1.80 -0.52 2.81 0.07 -4.96 117.12 115.51 1uzh n MET 62 Ca 0.10 -3.31 -0.42 0.00 -1.81 0.00 0.00 57.70 52.27 1uzh n MET 62 Cb 0.44 -3.00 -0.02 0.00 -0.71 0.00 0.00 33.22 29.93 1uzh n MET 62 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1uzh s PHE 63 N 0.98 2.83 0.00 2.03 0.08 -1.26 -1.94 117.98 120.70 1uzh s PHE 63 Ca 0.42 0.69 0.00 0.00 0.12 0.00 0.00 56.93 58.16 1uzh s PHE 63 Cb 0.11 -4.05 0.00 0.00 -0.57 0.00 0.00 43.02 38.50 1uzh s PHE 63 CO -0.02 -3.67 0.00 0.41 -0.10 0.00 0.00 175.22 171.85 1uzh n GLY 64 N 2.67 1.29 3.67 4.36 0.00 -1.26 -4.99 105.19 110.93 1uzh n GLY 64 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1uzh n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uzh n ARG 66 N 6.23 1.33 -3.96 0.00 1.74 -1.26 -4.91 116.66 115.83 1uzh n ARG 66 Ca 0.14 -2.60 -0.31 0.00 -0.77 0.00 0.00 57.85 54.31 1uzh n ARG 66 Cb 0.44 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 1uzh n ARG 66 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1uzh s ASP 67 N -2.86 4.42 0.50 0.55 -1.08 -1.26 -4.99 116.67 111.94 1uzh s ASP 67 Ca 0.32 -1.78 0.20 0.00 -0.52 0.00 0.00 52.55 50.77 1uzh s ASP 67 Cb 0.28 -1.39 1.25 0.00 -1.46 0.00 0.00 42.92 41.60 1uzh s ASP 67 CO 0.03 -0.33 2.02 1.55 0.52 0.00 0.00 175.17 178.96 1uzh h PRO 68 N 7.79 0.13 -0.48 4.34 0.13 -1.94 -1.47 132.00 140.50 1uzh h PRO 68 Ca -0.10 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.95 1uzh h PRO 68 Cb 1.03 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 1uzh h PRO 68 CO 0.48 0.09 0.01 0.52 -0.23 0.00 0.00 178.00 178.87 1uzh h MET 69 N 0.13 0.78 -0.47 0.86 2.86 -1.99 -1.07 114.93 116.03 1uzh h MET 69 Ca 0.21 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1uzh h MET 69 Cb 0.65 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1uzh h MET 69 CO -0.03 0.78 0.21 0.37 1.06 0.00 0.00 176.91 179.31 1uzh h GLN 70 N 0.74 0.69 -0.33 1.72 4.15 -1.70 -0.61 115.11 119.75 1uzh h GLN 70 Ca 0.15 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1uzh h GLN 70 Cb 0.43 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1uzh h GLN 70 CO 0.02 0.59 0.17 0.28 -1.93 0.00 0.00 178.83 177.96 1uzh h VAL 71 N 0.62 1.15 -0.73 2.39 2.07 -1.31 -1.94 116.25 118.49 1uzh h VAL 71 Ca 0.16 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1uzh h VAL 71 Cb 0.14 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1uzh h VAL 71 CO -0.02 0.15 0.37 -0.07 0.02 0.00 0.00 177.57 178.02 1uzh h LEU 72 N 0.41 0.93 -0.98 2.57 3.38 -0.99 -1.47 115.31 119.15 1uzh h LEU 72 Ca 0.12 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1uzh h LEU 72 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1uzh h LEU 72 CO -0.02 0.77 -0.06 0.03 0.09 0.00 0.00 178.44 179.25 1uzh h ARG 73 N 1.03 0.67 -0.27 1.13 3.08 -0.89 -2.28 114.38 116.85 1uzh h ARG 73 Ca 0.25 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 1uzh h ARG 73 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1uzh h ARG 73 CO -0.04 0.73 -0.40 0.93 -1.07 0.00 0.00 179.97 180.12 1uzh h GLU 74 N 0.62 0.65 -0.41 0.04 4.39 -0.62 -1.14 114.58 118.12 1uzh h GLU 74 Ca 0.12 -0.34 0.08 0.00 0.34 0.00 0.00 59.36 59.56 1uzh h GLU 74 Cb 0.48 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.07 1uzh h GLU 74 CO 0.03 0.94 -0.05 0.82 -1.16 0.00 0.00 179.01 179.59 1uzh h ILE 75 N 0.53 0.64 -0.29 3.13 2.04 -1.00 0.15 117.51 122.72 1uzh h ILE 75 Ca 0.04 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1uzh h ILE 75 Cb 0.93 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1uzh h ILE 75 CO 0.08 0.01 0.18 0.58 0.00 0.00 0.00 178.15 179.00 1uzh h VAL 76 N 0.05 1.09 -0.51 1.67 2.07 -1.13 -1.09 116.25 118.40 1uzh h VAL 76 Ca 0.20 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1uzh h VAL 76 Cb 0.30 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1uzh h VAL 76 CO -0.38 0.09 0.24 0.00 0.02 0.00 0.00 177.57 177.54 1uzh h ALA 77 N 1.09 0.65 -0.00 1.67 0.00 -0.92 0.26 119.26 122.00 1uzh h ALA 77 Ca 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uzh h ALA 77 Cb -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1uzh h ALA 77 CO -0.02 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1uzh h THR 79 N -0.08 1.06 -0.42 0.00 1.35 -1.12 -1.11 112.91 112.59 1uzh h THR 79 Ca 0.00 -1.18 -0.10 0.00 -0.55 0.00 0.00 66.41 64.59 1uzh h THR 79 Cb 0.08 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1uzh h THR 79 CO -0.00 0.32 -0.12 0.50 -0.25 0.00 0.00 175.52 175.96 1uzh h LYS 80 N 0.00 0.82 0.00 4.72 3.64 -0.81 -2.37 116.57 122.57 1uzh h LYS 80 Ca -0.00 -0.33 -0.13 0.00 -1.27 0.00 0.00 60.65 58.92 1uzh h LYS 80 Cb 0.64 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1uzh h LYS 80 CO 0.04 0.95 -0.60 0.00 -2.27 0.00 0.00 179.45 177.57 1uzh h ALA 81 N 0.85 0.96 -2.24 5.00 0.00 -0.98 -3.36 119.26 119.48 1uzh h ALA 81 Ca 0.10 -0.55 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 1uzh h ALA 81 Cb 0.66 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 17.96 1uzh h ALA 81 CO 0.05 0.75 -0.89 1.19 0.00 0.00 0.00 179.25 180.35 1uzh n PHE 82 N -3.76 0.93 0.44 0.00 3.01 -0.45 -4.96 117.46 112.66 1uzh n PHE 82 Ca -0.01 -3.74 0.11 0.00 1.01 0.00 0.00 57.45 54.81 1uzh n PHE 82 Cb 0.61 -0.31 0.44 0.00 -0.01 0.00 0.00 39.48 40.22 1uzh n PHE 82 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1uzh n PRO 83 N 1.62 0.15 -0.04 -1.08 -0.04 -0.90 -2.60 135.00 132.10 1uzh n PRO 83 Ca 0.25 0.37 0.07 0.00 -0.04 0.00 0.00 63.50 64.15 1uzh n PRO 83 Cb 0.47 -1.77 0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1uzh n PRO 83 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1uzh n ASP 84 N -2.04 2.35 -4.91 3.54 8.00 -1.26 -4.72 116.55 117.50 1uzh n ASP 84 Ca 0.03 -1.66 -0.27 0.00 0.71 0.00 0.00 54.79 53.60 1uzh n ASP 84 Cb 0.22 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 1uzh n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uzh s ALA 85 N -1.16 3.52 0.23 2.24 0.00 -1.07 -3.92 121.76 121.61 1uzh s ALA 85 Ca 0.19 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 1uzh s ALA 85 Cb 0.12 -2.41 -0.09 0.00 0.00 0.00 0.00 23.12 20.75 1uzh s ALA 85 CO 0.18 -0.11 1.19 0.71 0.00 0.00 0.00 175.76 177.73 1uzh s TYR 86 N -2.46 3.42 -0.03 0.00 1.51 0.95 -3.88 117.35 116.86 1uzh s TYR 86 Ca 0.45 1.49 0.01 0.00 -1.01 0.00 0.00 57.07 58.00 1uzh s TYR 86 Cb -0.10 -3.43 0.02 0.00 -0.11 0.00 0.00 41.96 38.34 1uzh s TYR 86 CO 0.38 -1.14 -0.02 0.08 -1.11 0.00 0.00 175.55 173.75 1uzh s VAL 87 N -0.46 0.30 0.04 0.71 1.01 -0.26 -1.41 120.40 120.34 1uzh s VAL 87 Ca 0.50 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.54 1uzh s VAL 87 Cb -0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1uzh s VAL 87 CO 0.40 0.16 -0.20 0.00 0.00 0.00 0.00 175.10 175.45 1uzh s ARG 88 N 0.82 1.36 -0.15 2.72 1.70 0.10 0.12 118.95 125.63 1uzh s ARG 88 Ca -0.09 -0.93 -0.16 0.00 -0.47 0.00 0.00 55.73 54.08 1uzh s ARG 88 Cb -0.12 -1.47 -0.04 0.00 -0.57 0.00 0.00 34.95 32.74 1uzh s ARG 88 CO -0.01 0.38 0.40 -1.17 -1.08 0.00 0.00 175.30 173.82 1uzh s LEU 89 N -1.17 4.23 0.30 -1.89 2.96 -0.45 -1.76 118.68 120.89 1uzh s LEU 89 Ca 0.07 0.65 0.04 0.00 -0.22 0.00 0.00 54.13 54.66 1uzh s LEU 89 Cb -0.09 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.99 1uzh s LEU 89 CO 0.02 0.01 0.04 0.68 -1.32 0.00 0.00 176.35 175.78 1uzh s VAL 90 N 0.77 1.12 -0.07 1.68 -7.23 -0.04 -1.57 120.40 115.07 1uzh s VAL 90 Ca 0.21 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.29 1uzh s VAL 90 Cb -0.14 -2.68 0.02 0.00 0.56 0.00 0.00 36.38 34.14 1uzh s VAL 90 CO 0.08 -0.07 0.21 0.00 -0.31 0.00 0.00 175.10 175.01 1uzh s ALA 91 N -3.35 -0.52 0.01 1.32 0.00 -0.98 -0.47 121.76 117.76 1uzh s ALA 91 Ca 0.35 0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.87 1uzh s ALA 91 Cb 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1uzh s ALA 91 CO 0.14 -0.12 -0.09 -0.06 0.00 0.00 0.00 175.76 175.63 1uzh s PHE 92 N -0.11 2.82 -0.30 0.00 0.08 0.14 -0.54 117.98 120.07 1uzh s PHE 92 Ca -0.02 -0.08 -0.08 0.00 0.12 0.00 0.00 56.93 56.86 1uzh s PHE 92 Cb -0.02 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 1uzh s PHE 92 CO 0.01 0.35 0.11 0.34 -0.10 0.00 0.00 175.22 175.92 1uzh s ASP 93 N -1.42 5.31 0.08 1.36 -1.08 -0.42 -0.31 116.67 120.18 1uzh s ASP 93 Ca 0.17 -0.62 0.27 0.00 -0.52 0.00 0.00 52.55 51.85 1uzh s ASP 93 Cb -0.11 -1.93 1.04 0.00 -1.46 0.00 0.00 42.92 40.45 1uzh s ASP 93 CO 0.07 -0.19 1.84 -0.46 0.52 0.00 0.00 175.17 176.95 1uzh n ASN 94 N 4.92 0.31 -0.05 -0.34 6.94 -1.26 -1.20 115.26 124.59 1uzh n ASN 94 Ca -0.14 0.53 -0.15 0.00 -0.02 0.00 0.00 54.58 54.81 1uzh n ASN 94 Cb 0.49 -0.62 -0.13 0.00 -2.36 0.00 0.00 39.78 37.16 1uzh n ASN 94 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1uzh h GLN 95 N 0.00 0.05 -0.00 -3.83 1.08 -1.95 -3.25 115.11 107.21 1uzh h GLN 95 Ca 0.00 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1uzh h GLN 95 Cb 0.56 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1uzh h GLN 95 CO 0.00 0.95 -0.24 1.63 -0.95 0.00 0.00 178.83 180.22 1uzh n LYS 96 N -4.58 0.15 -3.67 1.46 5.02 -1.25 -4.99 118.16 110.31 1uzh n LYS 96 Ca -0.10 -0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 55.89 1uzh n LYS 96 Cb 0.49 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.01 1uzh n LYS 96 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1uzh n GLN 97 N -1.37 -1.28 -3.51 1.97 7.27 -0.34 -5.01 117.38 115.10 1uzh n GLN 97 Ca 0.08 0.77 -0.17 0.00 0.07 0.00 0.00 57.00 57.74 1uzh n GLN 97 Cb 0.33 -3.28 -0.06 0.00 2.41 0.00 0.00 30.24 29.64 1uzh n GLN 97 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1uzh s VAL 98 N -3.13 0.00 0.14 1.69 0.11 -0.91 -5.02 120.40 113.27 1uzh s VAL 98 Ca 0.14 -0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 58.87 1uzh s VAL 98 Cb -0.06 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.71 1uzh s VAL 98 CO 0.87 -0.00 1.41 -1.58 -3.33 0.00 0.00 175.10 172.47 1uzh s GLN 99 N -1.41 4.31 -0.01 1.54 0.74 -1.26 -1.30 119.66 122.27 1uzh s GLN 99 Ca -0.10 2.12 0.09 0.00 0.05 0.00 0.00 55.36 57.52 1uzh s GLN 99 Cb -0.00 -3.22 -0.12 0.00 1.10 0.00 0.00 33.01 30.76 1uzh s GLN 99 CO 0.08 -0.44 0.27 1.51 -0.55 0.00 0.00 175.29 176.16 1uzh n ILE 100 N 3.75 0.00 -3.82 -2.34 0.13 0.30 -4.91 119.36 112.47 1uzh n ILE 100 Ca 0.11 -0.24 -0.09 0.00 -1.10 0.00 0.00 62.75 61.43 1uzh n ILE 100 Cb 0.42 0.57 -0.04 0.00 -0.84 0.00 0.00 39.64 39.75 1uzh n ILE 100 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1uzh s MET 101 N -2.32 1.42 0.00 9.51 0.23 -1.20 -4.99 119.30 121.94 1uzh s MET 101 Ca -0.01 -0.97 0.00 0.00 -1.03 0.00 0.00 55.69 53.68 1uzh s MET 101 Cb 0.06 0.50 0.00 0.00 -1.53 0.00 0.00 34.83 33.87 1uzh s MET 101 CO 0.37 -0.60 0.00 0.41 -2.03 0.00 0.00 175.02 173.18 1uzh n GLY 102 N -0.34 2.14 3.49 3.16 0.00 -1.26 -2.32 105.19 110.06 1uzh n GLY 102 Ca -0.08 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1uzh n GLY 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uzh s PHE 103 N -0.66 -0.54 0.27 1.61 -0.71 -0.61 -4.39 117.98 112.95 1uzh s PHE 103 Ca 0.00 0.68 -0.30 0.00 -1.04 0.00 0.00 56.93 56.28 1uzh s PHE 103 Cb 0.00 0.48 -0.10 0.00 -1.21 0.00 0.00 43.02 42.19 1uzh s PHE 103 CO 0.00 -0.64 1.43 -0.51 -1.34 0.00 0.00 175.22 174.16 1uzh s LEU 104 N -1.85 4.39 0.00 -1.99 1.02 -1.26 -1.35 118.68 117.64 1uzh s LEU 104 Ca -0.04 2.70 0.04 0.00 0.02 0.00 0.00 54.13 56.85 1uzh s LEU 104 Cb -0.01 -3.63 -0.03 0.00 0.02 0.00 0.00 46.19 42.55 1uzh s LEU 104 CO -0.01 -0.69 0.27 1.33 0.02 0.00 0.00 176.35 177.27 1uzh n VAL 105 N 2.03 0.00 -3.65 -1.59 0.24 0.12 -4.86 118.33 110.61 1uzh n VAL 105 Ca 0.06 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.34 61.80 1uzh n VAL 105 Cb 0.40 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.72 1uzh n VAL 105 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1uzh s GLN 106 N -1.17 0.74 0.30 7.34 0.74 -0.91 -4.95 119.66 121.75 1uzh s GLN 106 Ca 0.02 0.92 0.11 0.00 0.05 0.00 0.00 55.36 56.46 1uzh s GLN 106 Cb 0.03 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.43 1uzh s GLN 106 CO 0.14 -0.10 -0.12 1.03 -0.55 0.00 0.00 175.29 175.70 1uzh s ARG 107 N 0.45 1.84 0.53 1.67 0.52 -1.26 -1.10 118.95 121.60 1uzh s ARG 107 Ca -0.01 -1.76 -0.22 0.00 -0.52 0.00 0.00 55.73 53.22 1uzh s ARG 107 Cb -0.05 -1.83 -0.05 0.00 0.52 0.00 0.00 34.95 33.54 1uzh s ARG 107 CO -0.01 0.27 1.33 -2.14 0.02 0.00 0.00 175.30 174.77 1uzh s PRO 108 N -3.58 3.25 0.24 3.54 0.02 -1.25 -4.77 135.00 132.45 1uzh s PRO 108 Ca 0.31 2.17 0.11 0.00 0.02 0.00 0.00 61.00 63.62 1uzh s PRO 108 Cb -0.03 -2.29 0.21 0.00 0.02 0.00 0.00 34.50 32.41 1uzh s PRO 108 CO 0.17 -1.08 1.52 0.87 -0.33 0.00 0.00 177.00 178.14 1uzh h LYS 109 N 1.57 0.00 0.00 5.54 1.79 -1.84 -3.17 116.57 120.45 1uzh h LYS 109 Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1uzh h LYS 109 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1uzh h LYS 109 CO 0.58 0.68 0.00 0.25 -1.08 0.00 0.00 179.45 179.88 1uzh n THR 110 N -3.56 0.47 -2.53 -0.16 -2.24 -1.26 -4.79 114.28 100.20 1uzh n THR 110 Ca -0.00 0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 1uzh n THR 110 Cb 0.71 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 1uzh n THR 110 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uzh s ALA 111 N -2.62 3.50 -0.11 6.98 0.00 -1.20 -4.90 121.76 123.41 1uzh s ALA 111 Ca 0.17 0.50 0.14 0.00 0.00 0.00 0.00 51.96 52.77 1uzh s ALA 111 Cb 0.13 -3.51 0.28 0.00 0.00 0.00 0.00 23.12 20.01 1uzh s ALA 111 CO 0.29 -0.79 1.14 2.89 0.00 0.00 0.00 175.76 179.29 1uzh n ARG 112 N 5.39 0.96 -0.14 0.00 0.00 -1.26 -4.80 116.66 116.81 1uzh n ARG 112 Ca 0.11 -2.37 0.10 0.00 -0.00 0.00 0.00 57.85 55.69 1uzh n ARG 112 Cb 0.47 -1.17 0.29 0.00 -0.00 0.00 0.00 32.46 32.06 1uzh n ARG 112 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1uzh n ASP 113 N -0.87 2.26 -4.28 2.89 3.85 -1.26 -4.88 116.55 114.27 1uzh n ASP 113 Ca 0.12 -1.85 -0.16 0.00 -0.71 0.00 0.00 54.79 52.20 1uzh n ASP 113 Cb 0.72 -0.18 -0.10 0.00 -1.35 0.00 0.00 41.12 40.20 1uzh n ASP 113 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 1uzh s PHE 114 N -1.63 1.43 -0.02 2.11 -0.12 -1.19 -1.26 117.98 117.30 1uzh s PHE 114 Ca 0.33 -0.67 -0.00 0.00 -0.05 0.00 0.00 56.93 56.53 1uzh s PHE 114 Cb 0.18 -0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 41.83 1uzh s PHE 114 CO 0.26 0.18 0.06 -0.65 -0.05 0.00 0.00 175.22 175.02 1uzh s GLN 115 N -3.59 3.02 0.67 1.99 -1.52 -1.01 -4.83 119.66 114.38 1uzh s GLN 115 Ca 0.18 -0.49 -0.17 0.00 -1.95 0.00 0.00 55.36 52.93 1uzh s GLN 115 Cb 0.01 -2.83 -0.00 0.00 -0.22 0.00 0.00 33.01 29.97 1uzh s GLN 115 CO 0.03 0.65 1.24 -0.35 -0.25 0.00 0.00 175.29 176.61 1uzh n PRO 116 N 1.36 0.94 -0.30 2.91 -0.04 -1.26 -4.89 135.00 133.72 1uzh n PRO 116 Ca -0.14 0.38 0.14 0.00 -0.04 0.00 0.00 63.50 63.84 1uzh n PRO 116 Cb 0.53 -2.48 0.31 0.00 -0.04 0.00 0.00 33.50 31.82 1uzh n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uzh h ALA 117 N 0.29 1.41 -0.01 0.55 0.00 -1.98 -0.99 119.26 118.53 1uzh h ALA 117 Ca -0.50 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1uzh h ALA 117 Cb 1.34 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1uzh h ALA 117 CO 0.52 -0.41 0.00 0.27 0.00 0.00 0.00 179.25 179.63 1uzh n ASN 118 N -5.11 0.31 -0.51 0.00 6.94 -1.26 -3.28 115.26 112.35 1uzh n ASN 118 Ca 0.22 -1.20 0.05 0.00 -0.02 0.00 0.00 54.58 53.63 1uzh n ASN 118 Cb 0.69 -0.01 0.12 0.00 -2.36 0.00 0.00 39.78 38.22 1uzh n ASN 118 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uzh n LYS 119 N -0.71 2.82 0.22 -3.83 4.76 -0.38 -4.63 118.16 116.41 1uzh n LYS 119 Ca 0.21 -1.92 0.11 0.00 -2.87 0.00 0.00 58.31 53.84 1uzh n LYS 119 Cb 0.15 -1.22 0.28 0.00 -1.84 0.00 0.00 35.03 32.40 1uzh n LYS 119 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uzh h ARG 120 N 1.65 0.00 -4.92 1.97 3.08 -1.56 -3.45 114.38 111.14 1uzh h ARG 120 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 1uzh h ARG 120 Cb 0.68 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.53 1uzh h ARG 120 CO 0.00 0.12 -0.74 -1.54 -1.07 0.00 0.00 179.97 176.74 1uzh s SER 121 N -6.15 1.32 0.00 7.04 1.04 -1.26 -0.71 113.70 114.98 1uzh s SER 121 Ca 0.04 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1uzh s SER 121 Cb 0.07 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1uzh s SER 121 CO 0.65 -0.21 0.21 1.33 0.98 0.00 0.00 173.24 176.20