#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 3.21 -0.24 0.03 1.00 -1.26 -5.02 119.30 117.03 1uzh s MET 2 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 55.69 55.18 1uzh s MET 2 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 34.83 31.84 1uzh s MET 2 CO 0.00 0.66 0.11 0.08 0.00 0.00 0.00 175.02 175.86 1uzh s VAL 3 N -1.26 4.76 -0.13 -6.03 1.01 -1.26 -4.85 120.40 112.64 1uzh s VAL 3 Ca 0.25 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1uzh s VAL 3 Cb -0.12 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1uzh s VAL 3 CO 0.16 0.35 1.46 0.86 0.00 0.00 0.00 175.10 177.93 1uzh s TRP 4 N 1.31 2.41 0.11 5.22 -0.11 -1.26 -0.54 118.94 126.09 1uzh s TRP 4 Ca 0.06 0.62 -0.30 0.00 1.22 0.00 0.00 56.10 57.69 1uzh s TRP 4 Cb -0.15 -3.73 -0.07 0.00 -1.50 0.00 0.00 33.47 28.03 1uzh s TRP 4 CO 0.05 -2.73 1.20 -0.08 -4.62 0.00 0.00 176.95 170.77 1uzh s THR 5 N 3.90 3.83 -1.31 5.86 -1.32 0.34 -4.91 115.64 122.03 1uzh s THR 5 Ca 0.64 1.40 0.29 0.00 -1.21 0.00 0.00 61.69 62.82 1uzh s THR 5 Cb -0.27 -3.90 0.39 0.00 -1.51 0.00 0.00 72.50 67.22 1uzh s THR 5 CO 0.22 0.16 1.95 -0.81 -2.21 0.00 0.00 174.62 173.93 1uzh n PRO 6 N 3.32 0.31 -3.48 7.08 -0.04 -1.26 -4.70 135.00 136.23 1uzh n PRO 6 Ca 0.07 -0.04 -0.38 0.00 -0.04 0.00 0.00 63.50 63.12 1uzh n PRO 6 Cb 0.46 -1.50 -0.08 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 -2.71 5.26 -1.35 0.52 1.01 -1.26 -4.42 120.40 117.45 1uzh s VAL 7 Ca 0.23 0.52 -0.19 0.00 0.00 0.00 0.00 61.98 62.54 1uzh s VAL 7 Cb 0.20 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1uzh s VAL 7 CO 0.50 0.28 0.42 0.59 0.00 0.00 0.00 175.10 176.90 1uzh n ASN 8 N 4.41 -2.09 -1.64 3.32 5.03 -1.26 -4.87 115.26 118.15 1uzh n ASN 8 Ca -0.11 -1.26 -0.09 0.00 0.87 0.00 0.00 54.58 53.99 1uzh n ASN 8 Cb 0.51 -1.81 0.08 0.00 -1.02 0.00 0.00 39.78 37.55 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 -2.50 3.14 -4.76 6.41 4.05 -1.07 -2.63 115.26 117.91 1uzh n ASN 9 Ca -0.20 -3.42 -0.38 0.00 0.45 0.00 0.00 54.58 51.02 1uzh n ASN 9 Cb 0.62 -0.41 0.02 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 -3.20 3.50 0.33 1.20 -0.14 -0.39 -4.82 119.74 116.20 1uzh s LYS 10 Ca 0.42 2.13 0.09 0.00 -1.36 0.00 0.00 55.97 57.25 1uzh s LYS 10 Cb 0.38 -2.42 -0.06 0.00 -1.68 0.00 0.00 37.83 34.05 1uzh s LYS 10 CO -0.02 -0.87 -0.10 -1.64 -0.76 0.00 0.00 175.35 171.96 1uzh s MET 11 N -2.69 1.76 -0.30 1.68 -1.94 -1.26 -4.62 119.30 111.92 1uzh s MET 11 Ca 0.66 -1.89 0.20 0.00 -1.71 0.00 0.00 55.69 52.94 1uzh s MET 11 Cb -0.37 -1.61 0.48 0.00 2.01 0.00 0.00 34.83 35.34 1uzh s MET 11 CO 0.46 0.14 1.02 1.19 -0.01 0.00 0.00 175.02 177.81 1uzh n PHE 12 N -0.74 1.25 -4.81 -0.03 3.01 -1.26 -5.08 117.46 109.81 1uzh n PHE 12 Ca -0.05 -2.53 0.00 0.00 1.01 0.00 0.00 57.45 55.88 1uzh n PHE 12 Cb 0.63 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 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 -0.29 0.00 -1.69 -1.08 -0.58 -1.26 -4.66 120.64 111.08 1uzh n GLU 13 Ca 0.09 0.00 -0.54 0.00 -0.42 0.00 0.00 57.16 56.29 1uzh n GLU 13 Cb 0.81 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.62 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 0.33 -0.49 2.62 -1.04 -1.26 -1.66 114.28 112.77 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 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 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 5.27 0.00 0.31 -1.42 0.99 -1.26 -4.59 117.46 116.75 1uzh n PHE 15 Ca 0.24 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.88 1uzh n PHE 15 Cb 0.19 0.00 0.92 0.00 -1.00 0.00 0.00 39.48 39.59 1uzh n PHE 15 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1uzh h SER 16 N 0.00 0.00 -0.01 4.37 0.02 -1.61 -1.85 113.55 114.48 1uzh h SER 16 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uzh h SER 16 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1uzh h SER 16 CO 0.00 0.00 -0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1uzh n TYR 17 N -2.96 0.00 -2.97 3.45 4.02 -1.26 -4.89 117.16 112.56 1uzh n TYR 17 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.69 1uzh n TYR 17 Cb 0.17 -0.00 0.02 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 -2.01 3.59 0.74 7.72 1.43 -0.70 -5.08 118.68 124.37 1uzh s LEU 18 Ca 0.39 -0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 1uzh s LEU 18 Cb 0.21 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.70 1uzh s LEU 18 CO 0.34 -0.82 1.15 -2.65 0.23 0.00 0.00 176.35 174.60 1uzh n PRO 19 N -1.98 0.53 -1.66 1.29 -0.02 -1.26 -4.90 135.00 126.99 1uzh n PRO 19 Ca 0.06 0.25 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 1uzh n PRO 19 Cb 0.59 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.47 1.83 -2.30 0.52 -0.02 -1.26 -4.88 135.00 126.42 1uzh n PRO 20 Ca 0.14 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 1uzh n PRO 20 Cb 0.49 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.65 4.37 0.88 2.45 1.43 -1.26 -5.02 118.68 120.89 1uzh s LEU 21 Ca 0.57 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.74 1uzh s LEU 21 Cb -0.60 -3.58 0.12 0.00 0.03 0.00 0.00 46.19 42.16 1uzh s LEU 21 CO 0.61 -0.55 1.11 0.42 0.23 0.00 0.00 176.35 178.17 1uzh s THR 22 N 1.00 2.46 0.24 5.49 -4.23 -1.26 -4.82 115.64 114.52 1uzh s THR 22 Ca 0.61 0.15 -0.05 0.00 -1.18 0.00 0.00 61.69 61.22 1uzh s THR 22 Cb -0.33 -2.83 0.22 0.00 1.34 0.00 0.00 72.50 70.90 1uzh s THR 22 CO 0.30 -0.20 1.86 0.44 -0.54 0.00 0.00 174.62 176.49 1uzh h ASP 23 N -1.42 0.88 -0.82 3.99 3.32 -1.99 -0.34 116.42 120.04 1uzh h ASP 23 Ca -0.50 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 1uzh h ASP 23 Cb 1.30 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 1uzh h ASP 23 CO 0.59 0.57 0.36 -0.08 -1.72 0.00 0.00 179.24 178.96 1uzh h GLU 24 N 1.02 1.20 -0.42 3.56 4.81 -1.99 -0.90 114.58 121.86 1uzh h GLU 24 Ca 0.38 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1uzh h GLU 24 Cb 0.14 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1uzh h GLU 24 CO -0.16 0.95 -0.03 1.96 -0.73 0.00 0.00 179.01 181.00 1uzh h GLN 25 N 1.18 0.76 -0.39 1.92 4.20 -1.75 -1.14 115.11 119.88 1uzh h GLN 25 Ca 0.28 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1uzh h GLN 25 Cb 0.17 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1uzh h GLN 25 CO -0.03 0.85 0.24 0.82 -0.67 0.00 0.00 178.83 180.05 1uzh h ILE 26 N 0.59 1.12 -0.85 2.54 2.04 -0.97 -2.22 117.51 119.76 1uzh h ILE 26 Ca 0.12 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1uzh h ILE 26 Cb 0.52 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1uzh h ILE 26 CO 0.03 0.12 0.56 0.00 0.00 0.00 0.00 178.15 178.86 1uzh h ALA 27 N 1.12 1.40 -0.42 1.87 0.00 -1.01 -1.42 119.26 120.80 1uzh h ALA 27 Ca 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1uzh h ALA 27 Cb -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1uzh h ALA 27 CO -0.03 0.55 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 1uzh h ALA 28 N 1.47 1.18 -0.63 0.00 0.00 -0.88 -0.68 119.26 119.71 1uzh h ALA 28 Ca 0.32 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1uzh h ALA 28 Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1uzh h ALA 28 CO -0.07 0.53 0.13 1.96 0.00 0.00 0.00 179.25 181.80 1uzh h GLN 29 N 0.65 1.03 -0.68 0.00 1.08 -0.68 -1.86 115.11 114.65 1uzh h GLN 29 Ca 0.13 -0.26 -0.07 0.00 -1.45 0.00 0.00 58.65 56.99 1uzh h GLN 29 Cb 0.44 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 1uzh h GLN 29 CO 0.02 0.95 0.13 0.28 -0.95 0.00 0.00 178.83 179.26 1uzh h VAL 30 N 0.95 1.26 -0.83 -0.54 2.07 -0.91 -1.62 116.25 116.62 1uzh h VAL 30 Ca 0.20 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1uzh h VAL 30 Cb 0.40 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1uzh h VAL 30 CO 0.01 0.38 0.53 0.44 0.02 0.00 0.00 177.57 178.95 1uzh h ASP 31 N 1.03 0.88 -0.37 0.57 3.32 -0.88 -1.55 116.42 119.43 1uzh h ASP 31 Ca 0.21 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1uzh h ASP 31 Cb 0.41 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1uzh h ASP 31 CO 0.01 0.61 0.22 0.22 -1.72 0.00 0.00 179.24 178.58 1uzh h TYR 32 N 1.04 0.48 -0.10 4.55 3.20 -0.70 0.14 116.97 125.57 1uzh h TYR 32 Ca 0.33 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.25 1uzh h TYR 32 Cb 0.01 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.07 1uzh h TYR 32 CO -0.02 0.35 -0.28 0.82 -1.64 0.00 0.00 178.16 177.39 1uzh h ILE 33 N 0.48 0.36 -0.47 1.81 2.04 -0.95 -2.44 117.51 118.35 1uzh h ILE 33 Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1uzh h ILE 33 Cb 0.00 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1uzh h ILE 33 CO -0.02 0.00 0.26 0.58 0.00 0.00 0.00 178.15 178.97 1uzh h VAL 34 N -0.36 1.16 -0.07 1.67 2.07 -1.00 -2.25 116.25 117.48 1uzh h VAL 34 Ca 0.09 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1uzh h VAL 34 Cb 0.50 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1uzh h VAL 34 CO -0.31 0.17 -0.00 0.00 0.02 0.00 0.00 177.57 177.45 1uzh h ALA 35 N 1.11 1.88 -0.01 1.67 0.00 -0.58 -1.86 119.26 121.47 1uzh h ALA 35 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1uzh h ALA 35 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uzh h ALA 35 CO -0.03 0.10 -0.26 0.09 0.00 0.00 0.00 179.25 179.15 1uzh n ASN 36 N -4.48 1.59 -0.38 0.00 3.02 -0.93 -4.96 115.26 109.12 1uzh n ASN 36 Ca -0.02 -1.28 -0.05 0.00 -0.03 0.00 0.00 54.58 53.20 1uzh n ASN 36 Cb 0.12 0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.34 0.76 3.89 7.41 0.00 -0.70 -5.03 105.19 112.85 1uzh n GLY 37 Ca 0.13 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.17 3.38 -0.39 1.61 0.51 -0.98 -4.99 118.94 115.91 1uzh s TRP 38 Ca 0.00 1.03 -0.18 0.00 -2.12 0.00 0.00 56.10 54.83 1uzh s TRP 38 Cb 0.00 -2.94 0.01 0.00 -0.81 0.00 0.00 33.47 29.73 1uzh s TRP 38 CO 0.00 -1.02 0.50 0.42 -0.51 0.00 0.00 176.95 176.35 1uzh s ILE 39 N -3.26 5.01 0.45 2.03 1.01 0.13 -4.74 121.20 121.83 1uzh s ILE 39 Ca 0.57 0.06 -0.23 0.00 0.00 0.00 0.00 60.65 61.05 1uzh s ILE 39 Cb -0.11 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 1uzh s ILE 39 CO 0.51 -0.35 1.11 -2.84 0.00 0.00 0.00 174.94 173.38 1uzh s PRO 40 N 2.37 3.85 -0.07 2.79 0.02 -1.26 -0.36 135.00 142.34 1uzh s PRO 40 Ca 0.17 1.64 -0.21 0.00 0.02 0.00 0.00 61.00 62.62 1uzh s PRO 40 Cb -0.16 -2.39 0.05 0.00 0.02 0.00 0.00 34.50 32.02 1uzh s PRO 40 CO 0.14 -0.44 0.49 0.00 -0.33 0.00 0.00 177.00 176.87 1uzh s LEU 42 N -0.90 3.20 0.03 0.00 1.43 -1.26 -0.78 118.68 120.40 1uzh s LEU 42 Ca -0.09 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1uzh s LEU 42 Cb -0.03 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1uzh s LEU 42 CO 0.05 0.27 -0.04 -1.61 0.23 0.00 0.00 176.35 175.25 1uzh s GLU 43 N -1.49 0.40 0.12 1.70 2.02 -0.82 -0.67 118.70 119.96 1uzh s GLU 43 Ca 0.18 -0.71 -0.08 0.00 0.02 0.00 0.00 54.97 54.38 1uzh s GLU 43 Cb -0.11 0.00 -0.01 0.00 0.10 0.00 0.00 34.13 34.11 1uzh s GLU 43 CO 0.08 -0.03 0.21 -0.59 0.02 0.00 0.00 175.26 174.95 1uzh s PHE 44 N -1.65 0.30 -0.10 1.61 -0.12 0.22 -0.93 117.98 117.32 1uzh s PHE 44 Ca -0.12 -0.71 -0.30 0.00 -0.05 0.00 0.00 56.93 55.75 1uzh s PHE 44 Cb -0.08 -0.10 0.09 0.00 -0.63 0.00 0.00 43.02 42.29 1uzh s PHE 44 CO -0.01 -0.60 0.77 0.00 -0.05 0.00 0.00 175.22 175.33 1uzh s ALA 45 N -3.91 -1.82 0.13 1.99 0.00 -0.44 -1.27 121.76 116.44 1uzh s ALA 45 Ca 0.11 1.44 -0.14 0.00 0.00 0.00 0.00 51.96 53.37 1uzh s ALA 45 Cb 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1uzh s ALA 45 CO -0.06 -0.35 1.60 0.93 0.00 0.00 0.00 175.76 177.88 1uzh h GLU 46 N 3.02 0.75 -5.53 0.00 5.08 -1.92 0.18 114.58 116.16 1uzh h GLU 46 Ca -0.25 -0.23 -0.44 0.00 -1.00 0.00 0.00 59.36 57.45 1uzh h GLU 46 Cb 1.15 -0.08 -0.18 0.00 0.50 0.00 0.00 28.75 30.14 1uzh h GLU 46 CO 0.34 0.81 -0.76 -1.01 -1.00 0.00 0.00 179.01 177.39 1uzh s HIS 47 N -5.08 1.50 -0.25 4.33 3.76 -1.26 -4.52 115.29 113.76 1uzh s HIS 47 Ca -0.13 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.25 1uzh s HIS 47 Cb 0.11 -0.77 0.07 0.00 1.11 0.00 0.00 32.58 33.09 1uzh s HIS 47 CO 0.80 0.19 -0.05 0.45 -0.85 0.00 0.00 174.74 175.28 1uzh s SER 48 N -2.55 4.08 -0.06 1.40 0.15 -1.26 -4.97 113.70 110.48 1uzh s SER 48 Ca 0.11 -1.33 0.06 0.00 0.70 0.00 0.00 55.95 55.48 1uzh s SER 48 Cb -0.05 -1.29 -0.01 0.00 -1.71 0.00 0.00 66.02 62.96 1uzh s SER 48 CO 0.04 -0.25 -0.25 0.20 1.20 0.00 0.00 173.24 174.19 1uzh s ASN 49 N 1.29 3.03 0.47 5.45 0.01 -1.26 -5.03 114.94 118.90 1uzh s ASN 49 Ca -0.04 -0.51 0.20 0.00 -0.71 0.00 0.00 52.86 51.79 1uzh s ASN 49 Cb -0.19 -0.89 1.18 0.00 0.41 0.00 0.00 41.25 41.76 1uzh s ASN 49 CO -0.07 0.23 1.94 1.55 -1.51 0.00 0.00 177.10 179.25 1uzh h PRO 50 N 6.14 0.25 0.00 -0.60 0.13 -1.99 -0.61 132.00 135.33 1uzh h PRO 50 Ca -0.30 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1uzh h PRO 50 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1uzh h PRO 50 CO 0.47 0.17 0.00 0.93 -0.23 0.00 0.00 178.00 179.34 1uzh h GLU 51 N 0.26 0.00 -5.26 0.86 3.07 -2.04 -3.43 114.58 108.04 1uzh h GLU 51 Ca 0.33 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.53 1uzh h GLU 51 Cb 0.94 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.69 1uzh h GLU 51 CO -0.08 0.00 0.16 -1.21 -1.40 0.00 0.00 179.01 176.49 1uzh s GLU 52 N -3.61 3.20 0.00 2.33 0.41 -0.24 -4.97 118.70 115.83 1uzh s GLU 52 Ca 0.02 -0.63 -0.25 0.00 -0.41 0.00 0.00 54.97 53.70 1uzh s GLU 52 Cb 0.09 -4.05 -0.18 0.00 -1.78 0.00 0.00 34.13 28.21 1uzh s GLU 52 CO 0.55 -1.21 1.32 0.74 -0.49 0.00 0.00 175.26 176.17 1uzh h PHE 53 N 9.02 -0.12 -2.98 1.61 0.04 -1.85 -3.46 116.94 119.20 1uzh h PHE 53 Ca -0.27 -0.00 -0.62 0.00 2.80 0.00 0.00 57.97 59.88 1uzh h PHE 53 Cb 1.09 0.04 -0.07 0.00 2.20 0.00 0.00 35.95 39.22 1uzh h PHE 53 CO 0.77 0.24 -0.28 0.71 -0.60 0.00 0.00 178.31 179.16 1uzh s TYR 54 N -4.66 3.65 0.57 -0.55 2.02 -1.26 -5.09 117.35 112.03 1uzh s TYR 54 Ca -0.15 0.83 0.06 0.00 -0.37 0.00 0.00 57.07 57.44 1uzh s TYR 54 Cb 0.02 -2.23 0.06 0.00 -0.40 0.00 0.00 41.96 39.42 1uzh s TYR 54 CO 0.63 0.59 0.52 0.91 -1.57 0.00 0.00 175.55 176.63 1uzh n TRP 55 N 2.20 -1.02 -3.16 2.71 7.02 -1.26 -5.09 117.44 118.84 1uzh n TRP 55 Ca -0.15 -2.31 -0.39 0.00 -1.02 0.00 0.00 57.50 53.63 1uzh n TRP 55 Cb 0.53 -0.48 -0.05 0.00 -2.42 0.00 0.00 31.31 28.88 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 -2.75 4.96 0.14 -0.99 2.01 -0.40 -4.88 115.64 113.74 1uzh s THR 56 Ca 0.40 1.29 -0.30 0.00 0.31 0.00 0.00 61.69 63.39 1uzh s THR 56 Cb -0.03 -3.96 -0.08 0.00 0.01 0.00 0.00 72.50 68.44 1uzh s THR 56 CO 0.25 0.36 1.26 -0.32 -0.69 0.00 0.00 174.62 175.48 1uzh s MET 57 N 0.18 4.42 -0.43 4.92 1.75 -1.26 -0.61 119.30 128.26 1uzh s MET 57 Ca 0.33 1.93 -0.25 0.00 -1.25 0.00 0.00 55.69 56.44 1uzh s MET 57 Cb -0.18 -3.26 0.02 0.00 2.84 0.00 0.00 34.83 34.25 1uzh s MET 57 CO 0.17 -0.24 0.92 -0.46 -0.65 0.00 0.00 175.02 174.77 1uzh s TRP 58 N 0.51 2.97 0.00 4.11 -0.11 0.16 -4.89 118.94 121.69 1uzh s TRP 58 Ca 0.58 0.50 0.00 0.00 1.22 0.00 0.00 56.10 58.39 1uzh s TRP 58 Cb -0.33 -3.87 0.00 0.00 -1.50 0.00 0.00 33.47 27.76 1uzh s TRP 58 CO 0.34 -1.02 0.00 1.63 -4.62 0.00 0.00 176.95 173.28 1uzh n LYS 59 N 7.05 0.00 -4.23 5.86 5.02 -1.26 -4.51 118.16 126.09 1uzh n LYS 59 Ca 0.06 0.00 -0.13 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 2.47 0.52 -0.35 1.43 -1.26 -5.11 118.68 116.38 1uzh s LEU 60 Ca 0.00 -1.03 -0.23 0.00 -1.03 0.00 0.00 54.13 51.84 1uzh s LEU 60 Cb 0.00 -0.23 -0.06 0.00 0.03 0.00 0.00 46.19 45.93 1uzh s LEU 60 CO 0.00 -0.40 1.31 -2.65 0.23 0.00 0.00 176.35 174.84 1uzh n PRO 61 N -0.16 1.72 -2.08 1.29 -0.02 -1.26 -4.82 135.00 129.67 1uzh n PRO 61 Ca -0.10 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 1uzh n PRO 61 Cb 0.61 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 -0.71 3.50 -1.79 -0.52 2.81 0.42 -4.96 117.12 115.86 1uzh n MET 62 Ca 0.09 -3.19 -0.41 0.00 -1.81 0.00 0.00 57.70 52.38 1uzh n MET 62 Cb 0.43 -2.99 -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 1.12 2.76 0.00 2.03 0.08 -1.26 -1.76 117.98 120.95 1uzh s PHE 63 Ca 0.44 0.82 0.00 0.00 0.12 0.00 0.00 56.93 58.31 1uzh s PHE 63 Cb 0.12 -4.05 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 1uzh s PHE 63 CO -0.03 -3.50 0.00 0.41 -0.10 0.00 0.00 175.22 171.99 1uzh n GLY 64 N 2.08 1.06 3.67 4.36 0.00 -1.26 -4.99 105.19 110.11 1uzh n GLY 64 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 6.53 1.37 -4.03 0.00 1.74 -1.26 -4.90 116.66 116.11 1uzh n ARG 66 Ca 0.15 -2.43 -0.31 0.00 -0.77 0.00 0.00 57.85 54.49 1uzh n ARG 66 Cb 0.44 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.64 4.67 0.45 0.55 -1.08 -1.26 -4.99 116.67 112.36 1uzh s ASP 67 Ca 0.28 -1.89 0.17 0.00 -0.52 0.00 0.00 52.55 50.59 1uzh s ASP 67 Cb 0.25 -1.61 1.12 0.00 -1.46 0.00 0.00 42.92 41.22 1uzh s ASP 67 CO 0.03 -0.32 1.96 1.55 0.52 0.00 0.00 175.17 178.91 1uzh h PRO 68 N 7.67 0.31 -0.56 4.34 0.13 -1.94 -1.62 132.00 140.34 1uzh h PRO 68 Ca -0.09 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.95 1uzh h PRO 68 Cb 1.03 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 1uzh h PRO 68 CO 0.50 0.21 0.08 0.52 -0.23 0.00 0.00 178.00 179.08 1uzh h MET 69 N 0.32 0.90 -0.55 0.86 2.86 -1.99 -1.10 114.93 116.24 1uzh h MET 69 Ca 0.30 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1uzh h MET 69 Cb 0.75 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1uzh h MET 69 CO -0.08 0.85 0.36 0.37 1.06 0.00 0.00 176.91 179.47 1uzh h GLN 70 N 0.85 0.73 -0.13 1.72 4.15 -1.73 -0.40 115.11 120.30 1uzh h GLN 70 Ca 0.18 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1uzh h GLN 70 Cb 0.39 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1uzh h GLN 70 CO 0.01 0.49 0.06 0.28 -1.93 0.00 0.00 178.83 177.74 1uzh h VAL 71 N 0.75 1.13 -0.56 2.39 2.07 -1.30 -2.00 116.25 118.73 1uzh h VAL 71 Ca 0.20 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1uzh h VAL 71 Cb -0.07 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1uzh h VAL 71 CO -0.04 0.12 0.35 -0.07 0.02 0.00 0.00 177.57 177.95 1uzh h LEU 72 N 0.07 0.66 -0.90 2.57 3.38 -0.99 -1.64 115.31 118.47 1uzh h LEU 72 Ca 0.04 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1uzh h LEU 72 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1uzh h LEU 72 CO -0.00 0.49 -0.10 0.03 0.09 0.00 0.00 178.44 178.95 1uzh h ARG 73 N 0.77 0.70 -0.14 1.13 3.08 -0.86 -2.44 114.38 116.61 1uzh h ARG 73 Ca 0.20 -0.22 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 1uzh h ARG 73 Cb -0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1uzh h ARG 73 CO -0.04 0.78 -0.51 0.93 -1.07 0.00 0.00 179.97 180.07 1uzh h GLU 74 N 0.64 0.39 -0.14 0.04 4.39 -0.59 0.22 114.58 119.53 1uzh h GLU 74 Ca 0.11 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.61 1uzh h GLU 74 Cb 0.55 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 1uzh h GLU 74 CO 0.03 0.81 -0.04 0.82 -1.16 0.00 0.00 179.01 179.47 1uzh h ILE 75 N 0.31 0.85 -0.22 3.13 2.04 -1.18 0.15 117.51 122.59 1uzh h ILE 75 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1uzh h ILE 75 Cb 1.00 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1uzh h ILE 75 CO 0.09 0.00 0.10 0.58 0.00 0.00 0.00 178.15 178.92 1uzh h VAL 76 N -0.01 0.98 -0.51 1.67 2.07 -1.13 -1.18 116.25 118.14 1uzh h VAL 76 Ca 0.07 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1uzh h VAL 76 Cb 0.11 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1uzh h VAL 76 CO -0.15 0.04 0.30 0.00 0.02 0.00 0.00 177.57 177.78 1uzh h ALA 77 N 1.12 0.65 -0.11 1.67 0.00 -0.65 -0.64 119.26 121.30 1uzh h ALA 77 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1uzh h ALA 77 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1uzh h ALA 77 CO -0.07 0.15 0.04 0.00 0.00 0.00 0.00 179.25 179.37 1uzh h THR 79 N 0.02 1.12 -0.29 0.00 1.35 -1.15 -0.68 112.91 113.29 1uzh h THR 79 Ca 0.04 -1.04 -0.07 0.00 -0.55 0.00 0.00 66.41 64.79 1uzh h THR 79 Cb 0.18 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1uzh h THR 79 CO -0.00 0.29 -0.09 0.50 -0.25 0.00 0.00 175.52 175.96 1uzh h LYS 80 N 0.00 0.57 0.00 4.72 3.64 -0.91 -2.43 116.57 122.16 1uzh h LYS 80 Ca -0.00 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.04 1uzh h LYS 80 Cb 0.55 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1uzh h LYS 80 CO 0.04 0.78 -0.54 0.00 -2.27 0.00 0.00 179.45 177.46 1uzh h ALA 81 N 0.77 1.04 -2.35 5.00 0.00 -1.00 -3.35 119.26 119.36 1uzh h ALA 81 Ca 0.07 -0.49 -0.59 0.00 0.00 0.00 0.00 54.91 53.90 1uzh h ALA 81 Cb 0.59 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.89 1uzh h ALA 81 CO 0.03 0.67 -0.84 1.19 0.00 0.00 0.00 179.25 180.31 1uzh n PHE 82 N -3.79 1.22 0.52 0.00 3.01 -0.29 -4.96 117.46 113.17 1uzh n PHE 82 Ca -0.01 -3.80 0.12 0.00 1.01 0.00 0.00 57.45 54.77 1uzh n PHE 82 Cb 0.57 -0.31 0.46 0.00 -0.01 0.00 0.00 39.48 40.18 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 1.71 0.18 -0.01 -1.08 -0.04 -0.92 -2.65 135.00 132.19 1uzh n PRO 83 Ca 0.25 0.31 0.09 0.00 -0.04 0.00 0.00 63.50 64.11 1uzh n PRO 83 Cb 0.45 -1.79 0.08 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.12 2.47 -4.90 3.54 8.00 -1.26 -4.74 116.55 117.54 1uzh n ASP 84 Ca 0.04 -1.73 -0.28 0.00 0.71 0.00 0.00 54.79 53.53 1uzh n ASP 84 Cb 0.29 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 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 -1.40 3.55 0.19 2.24 0.00 -1.08 -3.87 121.76 121.38 1uzh s ALA 85 Ca 0.21 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 1uzh s ALA 85 Cb 0.14 -2.39 -0.09 0.00 0.00 0.00 0.00 23.12 20.78 1uzh s ALA 85 CO 0.22 0.08 1.32 0.71 0.00 0.00 0.00 175.76 178.08 1uzh s TYR 86 N -2.26 3.25 -0.03 0.00 1.51 0.63 -4.01 117.35 116.43 1uzh s TYR 86 Ca 0.45 1.18 0.02 0.00 -1.01 0.00 0.00 57.07 57.72 1uzh s TYR 86 Cb -0.10 -3.62 0.01 0.00 -0.11 0.00 0.00 41.96 38.14 1uzh s TYR 86 CO 0.33 -1.96 -0.07 0.08 -1.11 0.00 0.00 175.55 172.82 1uzh s VAL 87 N 0.23 0.67 0.06 0.71 1.01 -0.49 -1.32 120.40 121.26 1uzh s VAL 87 Ca 0.58 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.35 1uzh s VAL 87 Cb -0.37 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1uzh s VAL 87 CO 0.37 0.23 -0.17 0.00 0.00 0.00 0.00 175.10 175.53 1uzh s ARG 88 N 0.45 1.06 -0.20 2.72 1.70 -0.10 -0.02 118.95 124.55 1uzh s ARG 88 Ca -0.07 -0.91 -0.10 0.00 -0.47 0.00 0.00 55.73 54.18 1uzh s ARG 88 Cb -0.10 -1.14 -0.05 0.00 -0.57 0.00 0.00 34.95 33.08 1uzh s ARG 88 CO 0.01 0.28 0.14 -1.17 -1.08 0.00 0.00 175.30 173.47 1uzh s LEU 89 N -1.39 4.21 0.26 -1.89 2.96 -0.41 -1.94 118.68 120.47 1uzh s LEU 89 Ca 0.03 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1uzh s LEU 89 Cb -0.09 -2.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.44 1uzh s LEU 89 CO 0.02 0.17 0.01 0.68 -1.32 0.00 0.00 176.35 175.91 1uzh s VAL 90 N 0.39 1.13 -0.01 1.68 -7.23 0.04 -1.68 120.40 114.72 1uzh s VAL 90 Ca 0.08 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1uzh s VAL 90 Cb -0.11 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1uzh s VAL 90 CO -0.01 -0.23 0.08 0.00 -0.31 0.00 0.00 175.10 174.62 1uzh s ALA 91 N -3.35 -0.18 0.03 1.32 0.00 -0.94 -0.73 121.76 117.91 1uzh s ALA 91 Ca 0.31 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.26 1uzh s ALA 91 Cb 0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1uzh s ALA 91 CO 0.11 -0.12 -0.10 -0.06 0.00 0.00 0.00 175.76 175.59 1uzh s PHE 92 N -0.74 2.79 -0.26 0.00 0.08 0.51 -0.39 117.98 119.97 1uzh s PHE 92 Ca -0.08 -0.11 -0.06 0.00 0.12 0.00 0.00 56.93 56.79 1uzh s PHE 92 Cb -0.05 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 40.84 1uzh s PHE 92 CO 0.00 0.35 0.05 0.34 -0.10 0.00 0.00 175.22 175.86 1uzh s ASP 93 N -1.54 4.96 0.05 1.36 -1.08 -0.33 -0.70 116.67 119.39 1uzh s ASP 93 Ca 0.17 -0.39 0.28 0.00 -0.52 0.00 0.00 52.55 52.09 1uzh s ASP 93 Cb -0.11 -1.87 1.00 0.00 -1.46 0.00 0.00 42.92 40.47 1uzh s ASP 93 CO 0.08 -0.08 1.79 -0.46 0.52 0.00 0.00 175.17 177.02 1uzh n ASN 94 N 4.88 0.27 -0.06 -0.34 6.94 -1.26 -1.26 115.26 124.43 1uzh n ASN 94 Ca -0.16 0.38 -0.14 0.00 -0.02 0.00 0.00 54.58 54.64 1uzh n ASN 94 Cb 0.50 -0.41 -0.13 0.00 -2.36 0.00 0.00 39.78 37.39 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 -0.00 -0.00 -3.83 1.08 -1.95 -3.26 115.11 107.15 1uzh h GLN 95 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1uzh h GLN 95 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1uzh h GLN 95 CO 0.00 0.93 -0.19 1.63 -0.95 0.00 0.00 178.83 180.25 1uzh n LYS 96 N -4.64 0.22 -3.74 1.46 5.02 -1.25 -4.98 118.16 110.25 1uzh n LYS 96 Ca -0.10 -0.07 -0.26 0.00 -2.02 0.00 0.00 58.31 55.86 1uzh n LYS 96 Cb 0.45 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.33 -1.24 -3.52 1.97 7.27 -0.39 -5.02 117.38 115.13 1uzh n GLN 97 Ca 0.09 0.69 -0.14 0.00 0.07 0.00 0.00 57.00 57.71 1uzh n GLN 97 Cb 0.32 -2.96 -0.04 0.00 2.41 0.00 0.00 30.24 29.96 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 -3.14 0.01 0.19 1.69 0.11 -0.92 -5.02 120.40 113.33 1uzh s VAL 98 Ca 0.14 -0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 1uzh s VAL 98 Cb -0.07 -0.99 -0.08 0.00 -1.53 0.00 0.00 36.38 33.71 1uzh s VAL 98 CO 0.89 -0.07 1.24 -1.58 -3.33 0.00 0.00 175.10 172.25 1uzh s GLN 99 N -2.56 4.45 -0.00 1.54 0.74 -1.26 -1.19 119.66 121.38 1uzh s GLN 99 Ca -0.05 1.94 0.05 0.00 0.05 0.00 0.00 55.36 57.35 1uzh s GLN 99 Cb -0.01 -3.23 -0.06 0.00 1.10 0.00 0.00 33.01 30.81 1uzh s GLN 99 CO -0.02 -0.15 0.15 1.51 -0.55 0.00 0.00 175.29 176.22 1uzh n ILE 100 N 2.58 0.00 -3.67 -2.34 3.06 0.47 -4.90 119.36 114.56 1uzh n ILE 100 Ca 0.05 -0.23 -0.10 0.00 -2.50 0.00 0.00 62.75 59.97 1uzh n ILE 100 Cb 0.44 0.65 -0.04 0.00 0.54 0.00 0.00 39.64 41.24 1uzh n ILE 100 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1uzh s MET 101 N -1.95 1.29 0.00 9.51 0.23 -1.21 -4.99 119.30 122.18 1uzh s MET 101 Ca -0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 55.69 53.88 1uzh s MET 101 Cb 0.03 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.85 1uzh s MET 101 CO 0.20 -0.54 0.00 0.41 -2.03 0.00 0.00 175.02 173.06 1uzh n GLY 102 N -0.32 1.64 3.46 3.16 0.00 -1.26 -2.22 105.19 109.66 1uzh n GLY 102 Ca -0.12 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.98 -0.50 0.25 1.61 -0.71 -0.68 -4.42 117.98 112.55 1uzh s PHE 103 Ca 0.00 0.43 -0.30 0.00 -1.04 0.00 0.00 56.93 56.03 1uzh s PHE 103 Cb 0.00 0.53 -0.09 0.00 -1.21 0.00 0.00 43.02 42.25 1uzh s PHE 103 CO 0.00 -0.72 1.22 -0.51 -1.34 0.00 0.00 175.22 173.87 1uzh s LEU 104 N -2.38 4.46 0.00 -1.99 1.02 -1.26 -1.29 118.68 117.24 1uzh s LEU 104 Ca 0.00 2.39 0.04 0.00 0.02 0.00 0.00 54.13 56.58 1uzh s LEU 104 Cb -0.01 -3.62 -0.02 0.00 0.02 0.00 0.00 46.19 42.56 1uzh s LEU 104 CO -0.08 -0.38 0.32 1.33 0.02 0.00 0.00 176.35 177.55 1uzh n VAL 105 N 1.78 0.00 -3.66 -1.59 0.24 0.97 -4.87 118.33 111.20 1uzh n VAL 105 Ca 0.02 -0.43 -0.15 0.00 -2.04 0.00 0.00 64.34 61.75 1uzh n VAL 105 Cb 0.44 1.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 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 -1.11 0.75 0.23 7.34 0.74 -0.93 -4.94 119.66 121.73 1uzh s GLN 106 Ca 0.03 0.52 0.09 0.00 0.05 0.00 0.00 55.36 56.04 1uzh s GLN 106 Cb 0.03 0.36 -0.05 0.00 1.10 0.00 0.00 33.01 34.45 1uzh s GLN 106 CO 0.14 -0.15 -0.15 1.03 -0.55 0.00 0.00 175.29 175.61 1uzh s ARG 107 N -0.29 1.43 0.53 1.67 0.52 -1.26 -1.39 118.95 120.16 1uzh s ARG 107 Ca -0.05 -1.65 -0.22 0.00 -0.52 0.00 0.00 55.73 53.29 1uzh s ARG 107 Cb -0.03 -1.27 -0.05 0.00 0.52 0.00 0.00 34.95 34.11 1uzh s ARG 107 CO 0.03 0.21 1.38 -2.14 0.02 0.00 0.00 175.30 174.80 1uzh s PRO 108 N -3.62 3.25 0.28 3.54 0.02 -1.25 -4.80 135.00 132.42 1uzh s PRO 108 Ca 0.25 2.28 0.14 0.00 0.02 0.00 0.00 61.00 63.69 1uzh s PRO 108 Cb -0.01 -2.34 0.20 0.00 0.02 0.00 0.00 34.50 32.37 1uzh s PRO 108 CO 0.09 -1.12 1.50 0.87 -0.33 0.00 0.00 177.00 178.01 1uzh h LYS 109 N 1.63 0.00 0.00 5.54 1.79 -1.85 -3.18 116.57 120.50 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 0.56 0.00 0.25 -1.08 0.00 0.00 179.45 179.76 1uzh n THR 110 N -3.35 0.54 -2.33 -0.16 -2.24 -1.26 -4.77 114.28 100.70 1uzh n THR 110 Ca 0.01 0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.50 1uzh n THR 110 Cb 0.70 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.90 3.56 -0.12 6.98 0.00 -1.20 -4.90 121.76 123.18 1uzh s ALA 111 Ca 0.12 0.73 0.14 0.00 0.00 0.00 0.00 51.96 52.95 1uzh s ALA 111 Cb 0.14 -3.57 0.29 0.00 0.00 0.00 0.00 23.12 19.97 1uzh s ALA 111 CO 0.36 -0.90 1.14 2.89 0.00 0.00 0.00 175.76 179.26 1uzh n ARG 112 N 5.50 1.01 -0.14 0.00 0.00 -1.26 -4.81 116.66 116.96 1uzh n ARG 112 Ca 0.12 -2.44 0.11 0.00 -0.00 0.00 0.00 57.85 55.64 1uzh n ARG 112 Cb 0.45 -1.20 0.29 0.00 -0.00 0.00 0.00 32.46 32.00 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 -0.91 2.39 -4.29 2.89 3.85 -1.26 -4.87 116.55 114.35 1uzh n ASP 113 Ca 0.13 -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 -1.64 1.46 -0.02 2.11 -0.12 -1.16 -1.27 117.98 117.35 1uzh s PHE 114 Ca 0.34 -0.67 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 1uzh s PHE 114 Cb 0.19 -0.71 -0.04 0.00 -0.63 0.00 0.00 43.02 41.83 1uzh s PHE 114 CO 0.27 0.20 0.03 -0.65 -0.05 0.00 0.00 175.22 175.03 1uzh s GLN 115 N -3.67 2.93 0.72 1.99 -1.52 -1.08 -4.84 119.66 114.19 1uzh s GLN 115 Ca 0.19 -0.53 -0.16 0.00 -1.95 0.00 0.00 55.36 52.91 1uzh s GLN 115 Cb 0.01 -2.77 0.02 0.00 -0.22 0.00 0.00 33.01 30.05 1uzh s GLN 115 CO 0.03 0.65 1.19 -0.35 -0.25 0.00 0.00 175.29 176.56 1uzh n PRO 116 N 1.43 0.68 -0.28 2.91 -0.04 -1.26 -4.88 135.00 133.56 1uzh n PRO 116 Ca -0.15 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.70 1uzh n PRO 116 Cb 0.53 -2.43 0.24 0.00 -0.04 0.00 0.00 33.50 31.79 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 -0.11 1.17 -0.01 0.55 0.00 -1.98 -1.13 119.26 117.77 1uzh h ALA 117 Ca -0.49 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1uzh h ALA 117 Cb 1.33 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1uzh h ALA 117 CO 0.49 -0.32 0.00 0.27 0.00 0.00 0.00 179.25 179.69 1uzh n ASN 118 N -5.09 0.12 -0.47 0.00 6.94 -1.26 -3.18 115.26 112.32 1uzh n ASN 118 Ca 0.18 -1.23 0.04 0.00 -0.02 0.00 0.00 54.58 53.55 1uzh n ASN 118 Cb 0.54 -0.00 0.11 0.00 -2.36 0.00 0.00 39.78 38.07 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 -0.81 2.90 0.21 -3.83 4.76 -0.43 -4.64 118.16 116.31 1uzh n LYS 119 Ca 0.19 -1.92 0.10 0.00 -2.87 0.00 0.00 58.31 53.81 1uzh n LYS 119 Cb 0.11 -1.21 0.24 0.00 -1.84 0.00 0.00 35.03 32.33 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 1.45 0.00 -5.10 1.97 3.08 -1.55 -3.45 114.38 110.78 1uzh h ARG 120 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 1uzh h ARG 120 Cb 0.69 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.53 1uzh h ARG 120 CO 0.01 0.13 -0.76 -1.54 -1.07 0.00 0.00 179.97 176.74 1uzh s SER 121 N -6.19 1.45 0.00 7.04 1.04 -1.26 -0.51 113.70 115.27 1uzh s SER 121 Ca 0.05 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1uzh s SER 121 Cb 0.07 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1uzh s SER 121 CO 0.66 -0.14 0.31 1.33 0.98 0.00 0.00 173.24 176.39