#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urh s THR 3 N 0.00 5.25 0.00 12.58 2.01 -1.26 -4.55 115.64 129.67 1urh s THR 3 Ca 0.00 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1urh s THR 3 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1urh s THR 3 CO 0.00 0.28 0.54 0.79 -0.69 0.00 0.00 174.62 175.53 1urh n TRP 4 N 0.81 0.00 -4.21 4.92 7.02 -1.26 -5.06 117.44 119.66 1urh n TRP 4 Ca -0.10 -0.13 -0.26 0.00 -1.02 0.00 0.00 57.50 55.99 1urh n TRP 4 Cb 0.52 -0.01 -0.08 0.00 -2.42 0.00 0.00 31.31 29.32 1urh n TRP 4 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1urh s PHE 5 N -0.26 2.83 -0.02 -5.99 0.08 -1.26 0.38 117.98 113.75 1urh s PHE 5 Ca 0.00 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 56.93 1urh s PHE 5 Cb 0.00 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.09 1urh s PHE 5 CO 0.00 0.52 -0.06 0.14 -0.10 0.00 0.00 175.22 175.72 1urh s VAL 6 N -1.74 0.57 0.72 -0.44 -7.23 0.73 -4.84 120.40 108.16 1urh s VAL 6 Ca 0.27 -0.26 -0.11 0.00 -1.81 0.00 0.00 61.98 60.08 1urh s VAL 6 Cb -0.09 -0.51 0.02 0.00 0.56 0.00 0.00 36.38 36.36 1urh s VAL 6 CO 0.18 0.18 1.07 -0.83 -0.31 0.00 0.00 175.10 175.40 1urh s GLY 7 N 0.17 1.64 0.08 2.32 0.00 -1.26 -1.15 107.32 109.12 1urh s GLY 7 Ca -0.02 -0.13 -0.31 0.00 0.00 0.00 0.00 44.72 44.26 1urh s GLY 7 CO -0.00 0.22 1.63 0.00 0.00 0.00 0.00 173.10 174.96 1urh h ALA 8 N -0.76 -0.73 0.00 3.20 0.00 -1.95 -1.52 119.26 117.50 1urh h ALA 8 Ca -0.45 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1urh h ALA 8 Cb 1.23 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1urh h ALA 8 CO 0.60 -0.93 0.35 -0.44 0.00 0.00 0.00 179.25 178.83 1urh h ASP 9 N -0.72 0.00 0.00 0.00 3.32 -1.97 0.35 116.42 117.39 1urh h ASP 9 Ca -0.05 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1urh h ASP 9 Cb 0.60 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1urh h ASP 9 CO 0.04 0.00 -0.46 -0.25 -1.72 0.00 0.00 179.24 176.85 1urh h TRP 10 N 0.00 0.00 -0.44 4.55 7.01 -1.67 -2.86 115.95 122.54 1urh h TRP 10 Ca 0.00 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1urh h TRP 10 Cb 0.69 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 1urh h TRP 10 CO 0.00 1.13 0.29 1.25 -2.79 0.00 0.00 178.44 178.33 1urh h LEU 11 N -1.00 0.43 0.74 0.65 5.85 0.18 0.18 115.31 122.34 1urh h LEU 11 Ca -0.13 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1urh h LEU 11 Cb 1.08 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.01 1urh h LEU 11 CO -0.08 0.30 -0.36 0.00 -0.34 0.00 0.00 178.44 177.96 1urh h ALA 12 N 1.74 -1.04 -1.15 1.25 0.00 -0.86 0.33 119.26 119.53 1urh h ALA 12 Ca 0.17 -0.22 0.38 0.00 0.00 0.00 0.00 54.91 55.24 1urh h ALA 12 Cb 0.08 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 18.13 1urh h ALA 12 CO -0.04 -0.97 0.71 1.49 0.00 0.00 0.00 179.25 180.44 1urh h GLU 13 N -1.22 0.18 -0.32 0.00 4.57 -1.08 0.28 114.58 116.99 1urh h GLU 13 Ca -0.10 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1urh h GLU 13 Cb 0.77 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1urh h GLU 13 CO 0.17 0.12 0.00 0.72 -1.18 0.00 0.00 179.01 178.84 1urh n HIS 14 N -4.86 1.09 -0.20 0.92 8.25 -0.03 -4.77 115.22 115.62 1urh n HIS 14 Ca 0.34 -0.82 0.01 0.00 -0.26 0.00 0.00 57.72 56.99 1urh n HIS 14 Cb 1.21 -0.32 0.11 0.00 1.12 0.00 0.00 29.99 32.10 1urh n HIS 14 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1urh h ILE 15 N 2.20 0.58 -0.15 1.59 6.09 0.34 -0.82 117.51 127.34 1urh h ILE 15 Ca 0.00 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1urh h ILE 15 Cb 1.48 0.37 0.00 0.00 0.47 0.00 0.00 36.82 39.13 1urh h ILE 15 CO 0.25 0.04 0.00 0.47 -3.07 0.00 0.00 178.15 175.83 1urh n ASP 16 N -5.19 1.51 -4.70 2.19 8.00 -1.26 -4.92 116.55 112.18 1urh n ASP 16 Ca 0.09 -1.69 -0.42 0.00 0.71 0.00 0.00 54.79 53.48 1urh n ASP 16 Cb 0.34 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 1urh n ASP 16 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1urh n ASP 17 N 0.22 4.06 0.11 -2.24 -0.08 -0.32 -4.93 116.55 113.38 1urh n ASP 17 Ca 0.16 1.02 0.01 0.00 -1.51 0.00 0.00 54.79 54.47 1urh n ASP 17 Cb 0.30 -1.56 0.34 0.00 2.34 0.00 0.00 41.12 42.54 1urh n ASP 17 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1urh h PRO 18 N 7.84 0.24 -0.85 -0.67 0.13 -1.91 -3.10 132.00 133.67 1urh h PRO 18 Ca -0.45 -0.07 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 1urh h PRO 18 Cb 1.21 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1urh h PRO 18 CO 0.95 0.45 0.10 0.39 -0.23 0.00 0.00 178.00 179.66 1urh n GLU 19 N -4.20 2.57 -3.78 0.86 -0.58 -1.26 -4.81 120.64 109.43 1urh n GLU 19 Ca -0.01 -1.56 -0.20 0.00 -0.42 0.00 0.00 57.16 54.97 1urh n GLU 19 Cb 0.33 -1.80 -0.17 0.00 -0.57 0.00 0.00 31.44 29.22 1urh n GLU 19 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1urh s ILE 20 N -1.82 0.15 -0.09 -3.67 1.01 -1.17 -2.00 121.20 113.61 1urh s ILE 20 Ca 0.28 0.22 0.01 0.00 0.00 0.00 0.00 60.65 61.15 1urh s ILE 20 Cb 0.22 -0.33 -0.02 0.00 0.01 0.00 0.00 42.46 42.34 1urh s ILE 20 CO 0.07 0.20 -0.11 -1.10 0.00 0.00 0.00 174.94 174.01 1urh s GLN 21 N 1.77 2.97 -0.21 2.79 -0.21 -1.20 -4.87 119.66 120.71 1urh s GLN 21 Ca 0.01 -0.63 -0.09 0.00 0.02 0.00 0.00 55.36 54.66 1urh s GLN 21 Cb -0.13 -2.57 -0.05 0.00 1.00 0.00 0.00 33.01 31.26 1urh s GLN 21 CO -0.03 0.47 0.12 0.42 -2.12 0.00 0.00 175.29 174.14 1urh s ILE 22 N -0.30 5.19 -0.19 1.08 1.01 -1.26 -1.07 121.20 125.66 1urh s ILE 22 Ca 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 1urh s ILE 22 Cb -0.13 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1urh s ILE 22 CO 0.03 0.41 -0.12 -0.63 0.00 0.00 0.00 174.94 174.62 1urh s ILE 23 N 0.63 2.77 -0.62 2.92 1.01 0.57 -1.38 121.20 127.10 1urh s ILE 23 Ca 0.06 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 59.83 1urh s ILE 23 Cb -0.12 -2.21 0.12 0.00 0.01 0.00 0.00 42.46 40.26 1urh s ILE 23 CO 0.01 0.49 0.68 -0.62 0.00 0.00 0.00 174.94 175.49 1urh s ASP 24 N 1.19 6.26 -0.75 3.58 -1.08 -0.15 -1.26 116.67 124.46 1urh s ASP 24 Ca 0.02 -1.68 -0.01 0.00 -0.52 0.00 0.00 52.55 50.36 1urh s ASP 24 Cb -0.14 -2.27 0.38 0.00 -1.46 0.00 0.00 42.92 39.42 1urh s ASP 24 CO -0.05 -0.99 1.88 0.00 0.52 0.00 0.00 175.17 176.52 1urh n ALA 25 N 5.83 6.26 -1.20 3.66 0.00 -0.37 -1.06 120.51 133.63 1urh n ALA 25 Ca -0.07 -4.06 -0.32 0.00 0.00 0.00 0.00 53.44 48.99 1urh n ALA 25 Cb 0.42 -1.72 0.10 0.00 0.00 0.00 0.00 19.45 18.26 1urh n ALA 25 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1urh s ARG 26 N -3.96 2.03 -0.30 0.00 0.52 -1.26 -4.27 118.95 111.72 1urh s ARG 26 Ca 0.53 1.47 -0.13 0.00 -0.52 0.00 0.00 55.73 57.08 1urh s ARG 26 Cb 0.44 -1.85 0.15 0.00 0.52 0.00 0.00 34.95 34.21 1urh s ARG 26 CO -0.32 -1.86 0.85 1.41 0.02 0.00 0.00 175.30 175.39 1urh s MET 27 N -4.40 0.43 0.42 3.54 -2.45 -1.26 -4.67 119.30 110.90 1urh s MET 27 Ca 0.67 1.02 -0.24 0.00 -1.25 0.00 0.00 55.69 55.90 1urh s MET 27 Cb -0.22 0.57 -0.11 0.00 1.25 0.00 0.00 34.83 36.32 1urh s MET 27 CO 0.51 -0.14 0.96 0.00 1.05 0.00 0.00 175.02 177.39 1urh n ALA 28 N 5.03 -0.02 -2.47 4.11 0.00 -1.26 -4.90 120.51 121.00 1urh n ALA 28 Ca -0.11 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 1urh n ALA 28 Cb 0.52 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 1urh n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1urh s SER 29 N -0.77 7.05 -0.03 0.00 0.15 -1.26 -4.95 113.70 113.89 1urh s SER 29 Ca 0.63 1.78 -0.37 0.00 0.70 0.00 0.00 55.95 58.70 1urh s SER 29 Cb -0.57 -2.56 -0.18 0.00 -1.71 0.00 0.00 66.02 61.01 1urh s SER 29 CO 0.57 -0.60 1.00 -2.65 1.20 0.00 0.00 173.24 172.76 1urh n PRO 30 N 5.36 0.00 -2.03 5.44 -0.02 -1.26 -1.11 135.00 141.38 1urh n PRO 30 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1urh n PRO 30 Cb 0.46 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1urh n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1urh n GLY 31 N 1.49 0.73 2.72 -1.23 0.00 -1.26 -4.94 105.19 102.71 1urh n GLY 31 Ca 0.19 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 1urh n GLY 31 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1urh n GLN 32 N -0.74 1.43 -0.05 1.61 7.27 -0.27 -4.99 117.38 121.65 1urh n GLN 32 Ca 0.00 -2.00 0.00 0.00 0.07 0.00 0.00 57.00 55.07 1urh n GLN 32 Cb 0.45 -0.25 0.00 0.00 2.41 0.00 0.00 30.24 32.85 1urh n GLN 32 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1urh n GLU 33 N -1.11 0.24 -0.02 3.69 0.00 -1.26 -3.68 120.64 118.49 1urh n GLU 33 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.04 1urh n GLU 33 Cb 0.85 -1.38 -0.01 0.00 0.00 0.00 0.00 31.44 30.90 1urh n GLU 33 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1urh n ASP 34 N 1.29 1.03 -4.75 4.31 5.75 -1.26 -5.02 116.55 117.90 1urh n ASP 34 Ca 0.00 0.16 -0.38 0.00 -0.01 0.00 0.00 54.79 54.56 1urh n ASP 34 Cb 0.12 -0.49 0.04 0.00 -1.03 0.00 0.00 41.12 39.76 1urh n ASP 34 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1urh s ARG 35 N -1.99 3.12 -0.35 0.11 0.52 -1.24 -4.98 118.95 114.14 1urh s ARG 35 Ca -0.12 2.15 -0.05 0.00 -0.52 0.00 0.00 55.73 57.19 1urh s ARG 35 Cb 0.02 -2.20 0.06 0.00 0.52 0.00 0.00 34.95 33.34 1urh s ARG 35 CO 0.17 -1.18 0.12 1.21 0.02 0.00 0.00 175.30 175.64 1urh s ASN 36 N -1.08 5.24 0.21 0.23 2.47 -1.26 -4.90 114.94 115.84 1urh s ASN 36 Ca 0.72 -1.40 -0.17 0.00 0.42 0.00 0.00 52.86 52.43 1urh s ASN 36 Cb -0.38 -1.84 0.20 0.00 -1.45 0.00 0.00 41.25 37.78 1urh s ASN 36 CO 0.45 -0.38 1.59 0.58 -3.72 0.00 0.00 177.10 175.62 1urh h VAL 37 N 6.28 0.19 -0.85 -5.21 2.07 -1.96 -1.69 116.25 115.07 1urh h VAL 37 Ca -0.21 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.46 1urh h VAL 37 Cb 1.07 0.19 -0.15 0.00 -1.52 0.00 0.00 31.29 30.88 1urh h VAL 37 CO 0.62 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 177.91 1urh h ALA 38 N 1.29 0.28 0.00 1.67 0.00 -1.96 2.15 119.26 122.70 1urh h ALA 38 Ca 0.28 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 1urh h ALA 38 Cb 0.55 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1urh h ALA 38 CO -0.73 -0.54 -0.01 1.96 0.00 0.00 0.00 179.25 179.93 1urh h GLN 39 N -0.04 0.00 0.08 0.00 1.08 -1.75 -0.89 115.11 113.60 1urh h GLN 39 Ca 0.35 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.26 1urh h GLN 39 Cb 0.60 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1urh h GLN 39 CO -0.88 0.01 -1.51 1.49 -0.95 0.00 0.00 178.83 176.99 1urh h GLU 40 N 0.00 0.18 0.59 1.46 4.81 0.35 -3.17 114.58 118.80 1urh h GLU 40 Ca -0.00 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1urh h GLU 40 Cb 0.12 0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1urh h GLU 40 CO 0.00 1.00 -0.28 -0.92 -0.73 0.00 0.00 179.01 178.08 1urh h TYR 41 N 0.05 -0.74 -0.97 0.92 3.20 0.88 -3.07 116.97 117.24 1urh h TYR 41 Ca -0.23 -0.02 0.27 0.00 3.14 0.00 0.00 58.73 61.90 1urh h TYR 41 Cb 1.98 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 40.45 1urh h TYR 41 CO 0.05 -0.41 0.68 -0.07 -1.64 0.00 0.00 178.16 176.77 1urh h LEU 42 N -0.96 0.11 -0.01 2.82 -0.00 -1.33 -0.64 115.31 115.30 1urh h LEU 42 Ca -0.08 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1urh h LEU 42 Cb 0.66 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1urh h LEU 42 CO 0.13 0.03 -0.07 0.59 -0.00 0.00 0.00 178.44 179.13 1urh n ASN 43 N -4.33 0.08 0.00 -0.43 5.03 -1.16 -0.62 115.26 113.83 1urh n ASN 43 Ca 0.21 0.30 0.00 0.00 0.87 0.00 0.00 54.58 55.96 1urh n ASN 43 Cb 0.97 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 39.37 1urh n ASN 43 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1urh n GLY 44 N 1.47 1.97 3.54 7.41 0.00 -0.25 -4.81 105.19 114.52 1urh n GLY 44 Ca 0.08 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.37 1urh n GLY 44 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1urh s HIS 45 N 0.00 0.22 0.19 1.61 -3.43 -0.50 -4.62 115.29 108.76 1urh s HIS 45 Ca 0.00 -0.58 -0.31 0.00 -0.80 0.00 0.00 55.06 53.37 1urh s HIS 45 Cb 0.00 0.22 -0.10 0.00 -1.43 0.00 0.00 32.58 31.27 1urh s HIS 45 CO 0.00 -0.94 1.56 0.42 -2.00 0.00 0.00 174.74 173.78 1urh s ILE 46 N -3.97 2.55 -0.12 -5.38 1.01 -1.26 -0.73 121.20 113.31 1urh s ILE 46 Ca 0.17 0.41 -0.38 0.00 0.00 0.00 0.00 60.65 60.85 1urh s ILE 46 Cb -0.00 -3.26 -0.16 0.00 0.01 0.00 0.00 42.46 39.05 1urh s ILE 46 CO 0.04 0.04 1.62 -0.81 0.00 0.00 0.00 174.94 175.83 1urh n PRO 47 N 3.60 1.30 -0.62 2.79 -0.04 -1.26 -1.95 135.00 138.82 1urh n PRO 47 Ca 0.13 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1urh n PRO 47 Cb 0.38 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1urh n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1urh n GLY 48 N 3.64 0.80 3.82 0.55 0.00 -1.26 -4.98 105.19 107.75 1urh n GLY 48 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 1urh n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1urh s ALA 49 N -3.10 3.26 0.04 4.61 0.00 -0.82 -4.45 121.76 121.29 1urh s ALA 49 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.24 1urh s ALA 49 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1urh s ALA 49 CO 0.00 0.25 -0.01 0.14 0.00 0.00 0.00 175.76 176.14 1urh s VAL 50 N -1.85 4.02 -0.54 0.00 -7.23 -0.48 -4.70 120.40 109.62 1urh s VAL 50 Ca 0.52 -0.80 -0.28 0.00 -1.81 0.00 0.00 61.98 59.62 1urh s VAL 50 Cb -0.13 -2.84 0.03 0.00 0.56 0.00 0.00 36.38 34.00 1urh s VAL 50 CO 0.18 0.27 1.13 0.12 -0.31 0.00 0.00 175.10 176.49 1urh s PHE 51 N -1.17 2.71 -0.94 2.82 5.36 -1.26 -0.97 117.98 124.51 1urh s PHE 51 Ca 0.22 0.44 -0.15 0.00 -0.96 0.00 0.00 56.93 56.48 1urh s PHE 51 Cb -0.12 -4.40 0.20 0.00 -0.34 0.00 0.00 43.02 38.36 1urh s PHE 51 CO 0.13 -1.44 1.00 0.12 -1.46 0.00 0.00 175.22 173.58 1urh s PHE 52 N 4.61 3.62 -0.46 10.12 2.19 -0.22 -4.95 117.98 132.88 1urh s PHE 52 Ca 0.42 -1.93 -0.28 0.00 0.33 0.00 0.00 56.93 55.46 1urh s PHE 52 Cb -0.08 -4.02 0.00 0.00 -1.31 0.00 0.00 43.02 37.62 1urh s PHE 52 CO 0.26 -1.18 1.50 0.34 1.83 0.00 0.00 175.22 177.97 1urh s ASP 53 N 2.55 6.14 0.19 6.13 3.68 -1.26 -4.37 116.67 129.73 1urh s ASP 53 Ca 0.27 0.71 -0.05 0.00 2.13 0.00 0.00 52.55 55.61 1urh s ASP 53 Cb -0.08 -2.54 0.11 0.00 -1.45 0.00 0.00 42.92 38.97 1urh s ASP 53 CO -0.08 -1.61 1.55 0.40 0.13 0.00 0.00 175.17 175.55 1urh h ILE 54 N 6.52 1.29 0.00 4.11 2.04 -1.92 -3.20 117.51 126.35 1urh h ILE 54 Ca -0.28 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.01 1urh h ILE 54 Cb 1.11 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1urh h ILE 54 CO 1.11 0.51 0.00 -0.62 0.00 0.00 0.00 178.15 179.15 1urh n GLU 55 N -4.04 0.00 -0.11 2.37 -0.58 -1.26 -2.42 120.64 114.60 1urh n GLU 55 Ca -0.02 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1urh n GLU 55 Cb 0.53 -0.83 0.00 0.00 -0.57 0.00 0.00 31.44 30.57 1urh n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1urh n ALA 56 N -1.40 2.03 0.00 0.62 0.00 -1.26 -1.29 120.51 119.21 1urh n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1urh n ALA 56 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1urh n ALA 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1urh n LEU 57 N 1.89 0.00 -4.73 0.00 0.00 -1.18 -4.98 117.00 108.00 1urh n LEU 57 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.63 1urh n LEU 57 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.47 1urh n LEU 57 CO 0.00 0.00 0.20 -0.44 0.00 0.00 0.00 177.39 177.15 1urh s SER 58 N -0.88 6.75 0.05 1.96 0.01 -0.41 -4.61 113.70 116.57 1urh s SER 58 Ca 0.00 0.89 -0.31 0.00 1.31 0.00 0.00 55.95 57.85 1urh s SER 58 Cb 0.00 -2.31 -0.07 0.00 0.21 0.00 0.00 66.02 63.85 1urh s SER 58 CO 0.00 0.01 1.56 -1.81 0.41 0.00 0.00 173.24 173.41 1urh s ASP 59 N 0.50 6.69 -0.04 2.44 1.01 -0.05 -4.87 116.67 122.35 1urh s ASP 59 Ca 0.28 2.36 0.03 0.00 0.71 0.00 0.00 52.55 55.93 1urh s ASP 59 Cb -0.16 -2.56 0.15 0.00 1.01 0.00 0.00 42.92 41.36 1urh s ASP 59 CO 0.12 -0.82 0.83 1.41 0.21 0.00 0.00 175.17 176.91 1urh n HIS 60 N 5.43 0.36 0.00 4.23 8.25 -1.26 -4.50 115.22 127.73 1urh n HIS 60 Ca 0.15 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1urh n HIS 60 Cb 0.42 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1urh n HIS 60 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1urh n THR 61 N 0.08 0.00 -3.96 1.59 -2.24 -1.26 -5.15 114.28 103.34 1urh n THR 61 Ca 0.05 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1urh n THR 61 Cb 0.37 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1urh n THR 61 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1urh s SER 62 N 0.00 0.06 0.52 3.42 1.04 -1.26 -5.06 113.70 112.42 1urh s SER 62 Ca 0.00 -1.00 0.31 0.00 0.48 0.00 0.00 55.95 55.74 1urh s SER 62 Cb 0.00 0.67 1.16 0.00 0.10 0.00 0.00 66.02 67.95 1urh s SER 62 CO 0.00 -1.30 1.91 -0.65 0.98 0.00 0.00 173.24 174.18 1urh h PRO 63 N 2.14 0.00 -6.34 4.02 0.11 -1.88 -3.45 132.00 126.59 1urh h PRO 63 Ca -0.26 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.20 1urh h PRO 63 Cb 1.25 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.24 1urh h PRO 63 CO 0.34 0.00 -0.66 -0.51 -0.21 0.00 0.00 178.00 176.97 1urh s LEU 64 N -6.12 3.47 0.79 2.35 1.43 -1.26 -4.62 118.68 114.72 1urh s LEU 64 Ca 0.02 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1urh s LEU 64 Cb 0.08 -2.19 0.07 0.00 0.03 0.00 0.00 46.19 44.18 1urh s LEU 64 CO 0.56 0.17 1.11 -2.84 0.23 0.00 0.00 176.35 175.58 1urh s PRO 65 N -2.36 2.05 -0.95 1.29 0.02 -1.26 -3.64 135.00 130.14 1urh s PRO 65 Ca 0.26 1.31 -0.00 0.00 0.02 0.00 0.00 61.00 62.59 1urh s PRO 65 Cb -0.12 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1urh s PRO 65 CO 0.19 -1.82 0.00 0.72 -0.33 0.00 0.00 177.00 175.76 1urh n HIS 66 N -3.49 -0.53 -2.25 6.54 8.25 -1.26 -2.16 115.22 120.31 1urh n HIS 66 Ca 0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 1urh n HIS 66 Cb 0.52 -2.58 -0.02 0.00 1.12 0.00 0.00 29.99 29.04 1urh n HIS 66 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1urh n MET 67 N -2.07 -2.01 -2.61 -0.41 2.81 -1.26 -4.87 117.12 106.70 1urh n MET 67 Ca -0.13 0.67 -0.43 0.00 -1.81 0.00 0.00 57.70 56.00 1urh n MET 67 Cb 0.60 -5.21 -0.02 0.00 -0.71 0.00 0.00 33.22 27.88 1urh n MET 67 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1urh s LEU 68 N -5.32 3.63 0.89 4.03 1.02 -0.92 -0.87 118.68 121.14 1urh s LEU 68 Ca 0.00 0.41 -0.12 0.00 0.02 0.00 0.00 54.13 54.44 1urh s LEU 68 Cb 0.00 -3.50 0.07 0.00 0.02 0.00 0.00 46.19 42.78 1urh s LEU 68 CO 0.00 -1.27 0.80 -2.65 0.02 0.00 0.00 176.35 173.25 1urh n PRO 69 N 7.88 -0.18 -1.89 1.29 -0.02 -1.26 -4.02 135.00 136.80 1urh n PRO 69 Ca 0.11 0.01 -0.38 0.00 -2.02 0.00 0.00 63.50 61.22 1urh n PRO 69 Cb 0.49 -2.12 0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1urh n PRO 69 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1urh s ARG 70 N -3.93 3.14 0.00 -0.52 3.52 -1.26 -4.77 118.95 115.13 1urh s ARG 70 Ca 0.64 2.08 0.00 0.00 -0.13 0.00 0.00 55.73 58.32 1urh s ARG 70 Cb -0.25 -2.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.96 1urh s ARG 70 CO 0.60 -1.14 0.15 -2.30 -0.81 0.00 0.00 175.30 171.80 1urh n PRO 71 N -1.13 0.16 0.00 5.12 -0.02 -1.26 -0.48 135.00 137.39 1urh n PRO 71 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1urh n PRO 71 Cb 0.46 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1urh n PRO 71 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1urh n GLU 72 N 0.87 0.33 0.09 -0.52 4.07 -1.26 -4.23 120.64 120.00 1urh n GLU 72 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 1urh n GLU 72 Cb 0.08 -0.62 0.01 0.00 -0.06 0.00 0.00 31.44 30.85 1urh n GLU 72 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1urh h THR 73 N 0.00 1.57 0.37 6.31 2.02 -1.11 -3.05 112.91 119.02 1urh h THR 73 Ca 0.00 -2.75 -0.02 0.00 0.77 0.00 0.00 66.41 64.41 1urh h THR 73 Cb 0.24 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1urh h THR 73 CO 0.00 0.79 -0.18 0.15 0.37 0.00 0.00 175.52 176.65 1urh h PHE 74 N 0.02 -0.46 -0.88 3.16 3.57 -1.77 -2.43 116.94 118.15 1urh h PHE 74 Ca -0.02 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.69 1urh h PHE 74 Cb 1.46 0.15 -0.16 0.00 2.79 0.00 0.00 35.95 40.19 1urh h PHE 74 CO 0.01 -0.29 0.03 0.00 -2.23 0.00 0.00 178.31 175.83 1urh h ALA 75 N -1.14 1.00 -0.28 2.41 0.00 -1.80 0.98 119.26 120.44 1urh h ALA 75 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1urh h ALA 75 Cb 0.38 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1urh h ALA 75 CO 0.08 -0.49 0.18 0.28 0.00 0.00 0.00 179.25 179.31 1urh h VAL 76 N 0.07 1.07 -0.68 0.00 2.07 -1.62 0.29 116.25 117.45 1urh h VAL 76 Ca 0.51 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.85 1urh h VAL 76 Cb 0.98 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1urh h VAL 76 CO -0.79 0.07 0.27 0.00 0.02 0.00 0.00 177.57 177.14 1urh h ALA 77 N 1.10 0.88 0.03 1.67 0.00 0.89 -0.91 119.26 122.92 1urh h ALA 77 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1urh h ALA 77 Cb -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1urh h ALA 77 CO -0.02 0.51 -0.02 0.52 0.00 0.00 0.00 179.25 180.24 1urh h MET 78 N 0.97 -0.04 -1.08 0.00 2.86 0.89 -1.99 114.93 116.54 1urh h MET 78 Ca 0.23 0.00 0.30 0.00 -2.06 0.00 0.00 59.70 58.17 1urh h MET 78 Cb 0.21 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 1urh h MET 78 CO -0.02 0.59 0.75 0.00 1.06 0.00 0.00 176.91 179.29 1urh h ARG 79 N -0.72 0.11 0.08 1.72 3.08 -0.40 0.36 114.38 118.61 1urh h ARG 79 Ca -0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1urh h ARG 79 Cb 0.65 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1urh h ARG 79 CO 0.01 0.07 -0.04 1.49 -1.07 0.00 0.00 179.97 180.43 1urh h GLU 80 N 0.11 -0.10 0.00 0.04 4.22 -1.04 2.34 114.58 120.15 1urh h GLU 80 Ca 0.54 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.99 1urh h GLU 80 Cb 1.93 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1urh h GLU 80 CO -0.09 0.45 0.08 -0.11 -2.18 0.00 0.00 179.01 177.16 1urh n LEU 81 N -4.82 0.36 -1.90 1.64 7.94 0.84 -4.50 117.00 116.56 1urh n LEU 81 Ca -0.08 0.63 -0.01 0.00 -1.11 0.00 0.00 56.01 55.44 1urh n LEU 81 Cb 0.30 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.59 1urh n LEU 81 CO 0.28 -0.75 0.07 0.61 -1.11 0.00 0.00 177.39 176.48 1urh n GLY 82 N -1.34 -0.65 2.80 -3.96 0.00 0.91 -4.65 105.19 98.31 1urh n GLY 82 Ca -0.01 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1urh n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1urh s VAL 83 N -2.51 -0.06 -0.60 1.61 0.11 -1.14 -4.64 120.40 113.18 1urh s VAL 83 Ca 0.02 0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 59.07 1urh s VAL 83 Cb -0.01 -0.11 0.08 0.00 -1.53 0.00 0.00 36.38 34.82 1urh s VAL 83 CO 0.20 0.08 0.80 0.20 -3.33 0.00 0.00 175.10 173.05 1urh s ASN 84 N 1.05 6.19 -0.56 3.54 -0.87 -1.25 -3.60 114.94 119.45 1urh s ASN 84 Ca -0.09 -1.18 -0.18 0.00 -1.57 0.00 0.00 52.86 49.85 1urh s ASN 84 Cb -0.12 -2.35 -0.16 0.00 -0.02 0.00 0.00 41.25 38.60 1urh s ASN 84 CO -0.03 -1.21 1.79 0.00 -2.57 0.00 0.00 177.10 175.07 1urh n GLN 85 N 6.85 1.15 0.00 -0.60 10.64 -1.04 -1.38 117.38 132.99 1urh n GLN 85 Ca -0.07 -1.43 0.00 0.00 -1.83 0.00 0.00 57.00 53.67 1urh n GLN 85 Cb 0.44 -2.62 0.00 0.00 -0.86 0.00 0.00 30.24 27.20 1urh n GLN 85 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1urh n ASP 86 N 6.79 0.00 -4.82 2.61 5.68 -1.26 -4.83 116.55 120.71 1urh n ASP 86 Ca 0.42 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.42 1urh n ASP 86 Cb 0.30 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.38 1urh n ASP 86 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1urh s LYS 87 N -0.43 1.83 -0.74 0.11 1.02 -0.48 -4.87 119.74 116.18 1urh s LYS 87 Ca 0.00 0.42 -0.26 0.00 0.02 0.00 0.00 55.97 56.15 1urh s LYS 87 Cb 0.00 -1.91 0.04 0.00 -0.52 0.00 0.00 37.83 35.44 1urh s LYS 87 CO 0.00 -1.74 1.22 -1.58 -0.92 0.00 0.00 175.35 172.32 1urh s HIS 88 N -3.29 2.40 0.59 3.18 5.65 -0.85 -4.71 115.29 118.26 1urh s HIS 88 Ca 0.62 -0.23 -0.16 0.00 0.25 0.00 0.00 55.06 55.53 1urh s HIS 88 Cb -0.14 -4.55 -0.03 0.00 -1.18 0.00 0.00 32.58 26.68 1urh s HIS 88 CO 0.53 -1.96 1.07 -0.51 -0.65 0.00 0.00 174.74 173.21 1urh s LEU 89 N 5.27 3.52 -0.20 8.88 1.43 -1.02 -3.21 118.68 133.35 1urh s LEU 89 Ca 0.33 1.89 -0.04 0.00 -1.03 0.00 0.00 54.13 55.28 1urh s LEU 89 Cb -0.09 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.65 1urh s LEU 89 CO 0.12 -1.24 0.07 -0.63 0.23 0.00 0.00 176.35 174.91 1urh s ILE 90 N -2.34 0.25 -0.07 -0.59 -1.09 -0.24 -1.36 121.20 115.77 1urh s ILE 90 Ca 0.65 -0.49 -0.11 0.00 -2.23 0.00 0.00 60.65 58.47 1urh s ILE 90 Cb -0.18 -0.90 -0.05 0.00 -1.58 0.00 0.00 42.46 39.76 1urh s ILE 90 CO 0.36 -0.33 0.26 -0.69 -1.23 0.00 0.00 174.94 173.31 1urh s VAL 91 N 1.97 5.29 0.18 2.92 1.01 -0.17 -0.31 120.40 131.29 1urh s VAL 91 Ca 0.02 0.49 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 1urh s VAL 91 Cb -0.17 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1urh s VAL 91 CO -0.13 0.60 0.25 -0.72 0.00 0.00 0.00 175.10 175.10 1urh s TYR 92 N -1.01 0.59 0.17 5.22 -0.85 -0.39 -1.47 117.35 119.61 1urh s TYR 92 Ca 0.19 -0.93 0.03 0.00 -0.52 0.00 0.00 57.07 55.83 1urh s TYR 92 Cb -0.14 -0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.02 1urh s TYR 92 CO 0.08 -0.71 0.17 -0.40 -1.52 0.00 0.00 175.55 173.17 1urh n ASP 93 N -0.23 -0.45 -0.48 -0.18 3.85 -1.26 -1.23 116.55 116.57 1urh n ASP 93 Ca -0.05 -2.05 0.39 0.00 -0.71 0.00 0.00 54.79 52.38 1urh n ASP 93 Cb 0.63 0.96 0.70 0.00 -1.35 0.00 0.00 41.12 42.05 1urh n ASP 93 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1urh h GLU 94 N 0.00 0.08 0.00 0.11 5.08 -1.94 0.67 114.58 118.58 1urh h GLU 94 Ca -0.12 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1urh h GLU 94 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1urh h GLU 94 CO 0.17 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.64 1urh n GLY 95 N -1.65 0.67 0.22 -3.84 0.00 -1.26 0.94 105.19 100.26 1urh n GLY 95 Ca 0.36 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.42 1urh n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1urh n ASN 96 N 0.00 1.22 -0.34 1.61 0.23 -1.26 -1.83 115.26 114.88 1urh n ASN 96 Ca 0.00 -1.11 -0.04 0.00 -0.53 0.00 0.00 54.58 52.90 1urh n ASN 96 Cb 0.00 0.37 -0.02 0.00 -2.08 0.00 0.00 39.78 38.05 1urh n ASN 96 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1urh n LEU 97 N -0.13 0.01 -0.06 -4.53 7.94 -1.26 -4.57 117.00 114.40 1urh n LEU 97 Ca 0.04 0.11 -0.11 0.00 -1.11 0.00 0.00 56.01 54.93 1urh n LEU 97 Cb 0.18 -1.68 -0.05 0.00 0.53 0.00 0.00 43.42 42.40 1urh n LEU 97 CO 0.09 -0.57 0.76 0.15 -1.11 0.00 0.00 177.39 176.71 1urh h PHE 98 N 0.00 0.38 0.00 1.96 3.57 -1.96 -3.40 116.94 117.48 1urh h PHE 98 Ca -0.09 -0.06 -0.23 0.00 3.53 0.00 0.00 57.97 61.12 1urh h PHE 98 Cb 0.63 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1urh h PHE 98 CO 0.34 0.54 -1.86 -1.13 -2.23 0.00 0.00 178.31 173.96 1urh n SER 99 N -4.70 2.75 -0.31 0.41 3.41 -1.26 -4.24 113.62 109.68 1urh n SER 99 Ca -0.04 -0.07 0.16 0.00 -0.26 0.00 0.00 58.87 58.65 1urh n SER 99 Cb 0.23 -0.15 0.34 0.00 -0.26 0.00 0.00 64.21 64.37 1urh n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1urh h ALA 100 N 0.05 1.49 0.00 7.33 0.00 -1.79 0.31 119.26 126.65 1urh h ALA 100 Ca -0.34 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1urh h ALA 100 Cb 1.55 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1urh h ALA 100 CO -0.05 -0.46 -0.04 -1.35 0.00 0.00 0.00 179.25 177.36 1urh h PRO 101 N 0.29 0.00 0.15 0.00 0.11 -1.85 0.49 132.00 131.18 1urh h PRO 101 Ca 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.70 1urh h PRO 101 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1urh h PRO 101 CO -0.61 0.04 -0.07 -0.09 -0.21 0.00 0.00 178.00 177.06 1urh h ARG 102 N 0.00 -0.20 -0.94 1.05 9.65 -0.64 -1.72 114.38 121.58 1urh h ARG 102 Ca -0.00 0.01 0.16 0.00 -1.10 0.00 0.00 59.98 59.06 1urh h ARG 102 Cb 0.25 0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.80 1urh h ARG 102 CO 0.01 0.16 0.60 0.00 2.80 0.00 0.00 179.97 183.53 1urh h ALA 103 N -0.57 1.82 -0.49 2.80 0.00 -0.91 0.20 119.26 122.10 1urh h ALA 103 Ca -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1urh h ALA 103 Cb 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1urh h ALA 103 CO 0.03 -0.10 0.25 2.35 0.00 0.00 0.00 179.25 181.78 1urh h TRP 104 N 0.70 0.68 0.81 0.00 7.01 -0.05 -2.31 115.95 122.79 1urh h TRP 104 Ca 0.50 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.43 1urh h TRP 104 Cb 0.82 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 27.68 1urh h TRP 104 CO -0.00 0.53 -0.39 2.35 -2.79 0.00 0.00 178.44 178.14 1urh h TRP 105 N 0.64 -1.00 -0.86 2.65 7.01 0.24 -2.73 115.95 121.89 1urh h TRP 105 Ca 0.17 -0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.31 1urh h TRP 105 Cb 0.08 0.33 -0.16 0.00 -2.10 0.00 0.00 29.16 27.31 1urh h TRP 105 CO -0.01 -0.61 -0.24 0.52 -2.79 0.00 0.00 178.44 175.30 1urh h MET 106 N -1.25 -0.01 0.34 2.65 2.86 -0.88 0.73 114.93 119.37 1urh h MET 106 Ca -0.11 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1urh h MET 106 Cb 0.84 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 1urh h MET 106 CO 0.18 -0.01 -0.48 -0.07 1.06 0.00 0.00 176.91 177.60 1urh h LEU 107 N -0.01 -1.35 -2.02 1.22 3.38 -1.38 0.07 115.31 115.22 1urh h LEU 107 Ca 0.40 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.48 1urh h LEU 107 Cb 0.63 0.47 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1urh h LEU 107 CO -0.89 -0.59 -0.08 0.03 0.09 0.00 0.00 178.44 176.99 1urh h ARG 108 N -0.86 0.00 0.00 1.13 3.08 -0.90 -1.65 114.38 115.18 1urh h ARG 108 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1urh h ARG 108 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1urh h ARG 108 CO -0.14 0.08 0.00 1.15 -1.07 0.00 0.00 179.97 179.99 1urh h THR 109 N 0.00 0.00 -0.52 2.04 2.02 -0.13 -2.98 112.91 113.33 1urh h THR 109 Ca -0.00 -0.72 -0.22 0.00 0.77 0.00 0.00 66.41 66.23 1urh h THR 109 Cb 0.30 1.71 -0.13 0.00 -1.74 0.00 0.00 68.15 68.29 1urh h THR 109 CO 0.01 0.00 0.14 0.49 0.37 0.00 0.00 175.52 176.53 1urh n PHE 110 N -2.72 1.67 -2.13 3.16 3.72 -0.06 -1.29 117.46 119.80 1urh n PHE 110 Ca 0.04 -1.46 -0.00 0.00 -0.05 0.00 0.00 57.45 55.98 1urh n PHE 110 Cb 0.46 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 1urh n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1urh n GLY 111 N -0.88 -3.43 3.19 1.37 0.00 -1.13 -4.47 105.19 99.84 1urh n GLY 111 Ca 0.38 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.56 1urh n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1urh s VAL 112 N -0.91 -0.98 0.03 1.61 1.01 -1.23 -4.91 120.40 115.03 1urh s VAL 112 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 1urh s VAL 112 Cb -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 1urh s VAL 112 CO 0.41 -0.02 0.98 -1.84 0.00 0.00 0.00 175.10 174.63 1urh n GLU 113 N 4.56 -0.09 -3.71 2.72 0.28 -1.26 -4.28 120.64 118.85 1urh n GLU 113 Ca 0.10 0.97 -0.38 0.00 -0.16 0.00 0.00 57.16 57.69 1urh n GLU 113 Cb 0.56 -1.45 -0.12 0.00 1.43 0.00 0.00 31.44 31.86 1urh n GLU 113 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1urh s LYS 114 N -3.56 2.63 -0.04 3.44 -2.85 -1.26 -5.01 119.74 113.08 1urh s LYS 114 Ca -0.02 -1.21 0.04 0.00 -1.00 0.00 0.00 55.97 53.78 1urh s LYS 114 Cb 0.02 -3.54 -0.00 0.00 -2.06 0.00 0.00 37.83 32.25 1urh s LYS 114 CO 0.12 -0.71 -0.17 0.08 0.10 0.00 0.00 175.35 174.78 1urh s VAL 115 N 1.42 1.38 0.43 1.79 1.01 -1.26 -2.43 120.40 122.74 1urh s VAL 115 Ca -0.00 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1urh s VAL 115 Cb -0.20 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1urh s VAL 115 CO 0.03 0.40 0.12 -1.20 0.00 0.00 0.00 175.10 174.45 1urh n SER 116 N 3.13 1.64 -4.09 3.32 7.64 -0.46 -4.97 113.62 119.82 1urh n SER 116 Ca -0.18 -3.19 -0.20 0.00 1.01 0.00 0.00 58.87 56.31 1urh n SER 116 Cb 0.53 0.91 -0.15 0.00 -1.01 0.00 0.00 64.21 64.50 1urh n SER 116 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1urh s ILE 117 N -3.04 0.97 -0.35 0.44 1.01 0.16 -1.00 121.20 119.39 1urh s ILE 117 Ca 0.17 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 1urh s ILE 117 Cb 0.01 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.66 1urh s ILE 117 CO 0.12 0.20 1.07 -0.22 0.00 0.00 0.00 174.94 176.11 1urh s LEU 118 N -0.49 3.89 0.37 2.97 2.96 -0.54 -0.19 118.68 127.65 1urh s LEU 118 Ca 0.04 0.92 -0.28 0.00 -0.22 0.00 0.00 54.13 54.58 1urh s LEU 118 Cb -0.05 -3.51 -0.11 0.00 0.50 0.00 0.00 46.19 43.01 1urh s LEU 118 CO -0.00 -0.93 1.49 -0.83 -1.32 0.00 0.00 176.35 174.75 1urh s GLY 119 N 1.80 2.89 0.00 7.98 0.00 -0.30 -1.81 107.32 117.87 1urh s GLY 119 Ca 0.45 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.73 1urh s GLY 119 CO 0.18 2.27 0.00 0.61 0.00 0.00 0.00 173.10 176.16 1urh n GLY 120 N 0.59 2.90 7.00 0.20 0.00 -1.07 -4.44 105.19 110.37 1urh n GLY 120 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1urh n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1urh n GLY 121 N -1.98 0.94 0.38 -0.02 0.00 -0.75 0.15 105.19 103.91 1urh n GLY 121 Ca 0.00 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 1urh n GLY 121 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1urh h LEU 122 N 0.00 -0.89 -1.13 0.99 5.85 0.53 0.72 115.31 121.36 1urh h LEU 122 Ca 0.00 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1urh h LEU 122 Cb 0.00 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 1urh h LEU 122 CO 0.00 -0.52 0.60 0.00 -0.34 0.00 0.00 178.44 178.19 1urh h ALA 123 N -0.38 1.64 0.05 1.25 0.00 0.46 0.14 119.26 122.42 1urh h ALA 123 Ca -0.05 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1urh h ALA 123 Cb 0.68 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1urh h ALA 123 CO 0.01 0.13 -0.27 0.78 0.00 0.00 0.00 179.25 179.90 1urh h GLY 124 N 0.88 -0.46 0.09 0.00 0.00 0.66 -0.61 103.07 103.63 1urh h GLY 124 Ca 0.46 0.32 0.07 0.00 0.00 0.00 0.00 47.33 48.19 1urh h GLY 124 CO -0.23 -0.22 -0.22 -0.25 0.00 0.00 0.00 176.54 175.62 1urh h TRP 125 N -0.44 -0.58 -0.18 5.60 2.91 0.10 -2.11 115.95 121.25 1urh h TRP 125 Ca 0.05 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 1urh h TRP 125 Cb 0.50 0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.45 1urh h TRP 125 CO -0.28 -0.30 -0.14 1.96 -1.03 0.00 0.00 178.44 178.65 1urh h GLN 126 N -0.19 0.29 -0.28 2.65 4.20 -1.00 -1.81 115.11 118.97 1urh h GLN 126 Ca 0.16 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.88 1urh h GLN 126 Cb 0.44 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1urh h GLN 126 CO -0.43 0.43 0.21 0.00 -0.67 0.00 0.00 178.83 178.38 1urh h ARG 127 N 0.27 0.00 -0.83 1.46 3.08 -0.40 0.70 114.38 118.67 1urh h ARG 127 Ca 0.05 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 1urh h ARG 127 Cb 0.41 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 1urh h ARG 127 CO 0.02 0.00 0.16 -0.25 -1.07 0.00 0.00 179.97 178.83 1urh n ASP 128 N -4.35 3.87 -3.91 7.04 9.92 -0.69 -4.92 116.55 123.52 1urh n ASP 128 Ca 0.04 -2.77 -0.34 0.00 -0.53 0.00 0.00 54.79 51.19 1urh n ASP 128 Cb 0.37 -0.66 0.01 0.00 -0.64 0.00 0.00 41.12 40.20 1urh n ASP 128 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1urh n ASP 129 N 0.05 -3.24 -4.66 -2.24 9.92 0.24 -4.96 116.55 111.65 1urh n ASP 129 Ca 0.26 -1.11 -0.35 0.00 -0.53 0.00 0.00 54.79 53.06 1urh n ASP 129 Cb 1.02 -2.70 -0.10 0.00 -0.64 0.00 0.00 41.12 38.70 1urh n ASP 129 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1urh s LEU 130 N -6.94 3.63 0.55 0.64 1.02 -1.20 -5.05 118.68 111.34 1urh s LEU 130 Ca 0.32 0.12 -0.21 0.00 0.02 0.00 0.00 54.13 54.38 1urh s LEU 130 Cb -0.14 -1.86 -0.05 0.00 0.02 0.00 0.00 46.19 44.17 1urh s LEU 130 CO 0.91 0.31 1.30 -0.76 0.02 0.00 0.00 176.35 178.13 1urh s LEU 131 N -0.49 3.82 0.01 1.79 1.43 -1.26 -4.68 118.68 119.30 1urh s LEU 131 Ca 0.09 2.61 0.07 0.00 -1.03 0.00 0.00 54.13 55.87 1urh s LEU 131 Cb -0.12 -4.35 -0.03 0.00 0.03 0.00 0.00 46.19 41.72 1urh s LEU 131 CO 0.02 -1.51 -0.19 -0.76 0.23 0.00 0.00 176.35 174.14 1urh s LEU 132 N -3.61 2.51 0.24 1.79 2.01 -1.26 -4.57 118.68 115.79 1urh s LEU 132 Ca 0.72 -0.40 -0.03 0.00 0.01 0.00 0.00 54.13 54.43 1urh s LEU 132 Cb -0.37 -1.48 -0.05 0.00 0.01 0.00 0.00 46.19 44.31 1urh s LEU 132 CO 0.42 0.29 0.48 -0.70 1.01 0.00 0.00 176.35 177.85 1urh s GLU 133 N -1.14 3.59 0.44 1.70 2.12 0.09 -4.83 118.70 120.68 1urh s GLU 133 Ca 0.13 -0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.36 1urh s GLU 133 Cb -0.10 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.52 1urh s GLU 133 CO 0.03 0.30 0.04 -2.00 -0.54 0.00 0.00 175.26 173.10 1urh s GLU 134 N -3.39 2.02 0.56 4.30 2.12 -1.26 -1.40 118.70 121.64 1urh s GLU 134 Ca 0.42 -2.24 0.00 0.00 0.36 0.00 0.00 54.97 53.51 1urh s GLU 134 Cb -0.11 -1.22 0.00 0.00 0.26 0.00 0.00 34.13 33.06 1urh s GLU 134 CO 0.29 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 1urh n GLY 135 N -1.05 -3.36 3.76 -1.50 0.00 0.21 -4.87 105.19 98.38 1urh n GLY 135 Ca -0.11 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 1urh n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1urh s ALA 136 N -4.24 2.62 -0.18 4.61 0.00 -1.26 -4.86 121.76 118.45 1urh s ALA 136 Ca 0.00 1.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.91 1urh s ALA 136 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1urh s ALA 136 CO 0.00 -1.11 0.06 0.08 0.00 0.00 0.00 175.76 174.79 1urh s VAL 137 N -1.57 4.73 -0.68 0.00 1.01 -1.26 -5.06 120.40 117.58 1urh s VAL 137 Ca 0.75 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.73 1urh s VAL 137 Cb -0.31 -3.13 0.21 0.00 0.00 0.00 0.00 36.38 33.15 1urh s VAL 137 CO 0.34 0.46 0.63 1.21 0.00 0.00 0.00 175.10 177.74 1urh n GLU 138 N 3.59 2.21 -1.34 2.72 0.00 -1.26 -4.98 120.64 121.59 1urh n GLU 138 Ca -0.17 -4.59 -0.31 0.00 0.00 0.00 0.00 57.16 52.10 1urh n GLU 138 Cb 0.52 -2.28 0.09 0.00 0.00 0.00 0.00 31.44 29.77 1urh n GLU 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1urh s LEU 139 N -1.99 2.94 1.35 4.31 1.02 -1.26 -5.03 118.68 120.02 1urh s LEU 139 Ca 0.33 1.71 -0.20 0.00 0.02 0.00 0.00 54.13 55.98 1urh s LEU 139 Cb 0.05 -4.41 0.35 0.00 0.02 0.00 0.00 46.19 42.20 1urh s LEU 139 CO -0.09 -1.97 0.96 -2.84 0.02 0.00 0.00 176.35 172.43 1urh s PRO 140 N -4.95 -2.40 -0.59 1.29 0.02 -1.26 -4.73 135.00 122.36 1urh s PRO 140 Ca 0.61 0.33 -0.27 0.00 0.02 0.00 0.00 61.00 61.68 1urh s PRO 140 Cb -0.16 -1.42 0.01 0.00 0.02 0.00 0.00 34.50 32.94 1urh s PRO 140 CO 0.56 -4.58 1.50 -2.00 -0.33 0.00 0.00 177.00 172.15 1urh s GLU 141 N -4.89 3.15 0.13 5.54 2.12 -1.26 -4.07 118.70 119.41 1urh s GLU 141 Ca 0.69 0.40 -0.35 0.00 0.36 0.00 0.00 54.97 56.07 1urh s GLU 141 Cb -0.17 -4.19 -0.16 0.00 0.26 0.00 0.00 34.13 29.87 1urh s GLU 141 CO 0.60 -2.13 1.27 0.41 -0.54 0.00 0.00 175.26 174.86 1urh n GLY 142 N 5.38 0.31 3.71 -1.50 0.00 0.79 -4.91 105.19 108.97 1urh n GLY 142 Ca 0.13 0.62 -0.42 0.00 0.00 0.00 0.00 46.02 46.35 1urh n GLY 142 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1urh s GLU 143 N 0.10 4.49 -0.30 1.61 2.12 -1.24 -3.86 118.70 121.63 1urh s GLU 143 Ca 0.79 1.61 -0.13 0.00 0.36 0.00 0.00 54.97 57.61 1urh s GLU 143 Cb -0.90 -3.40 0.18 0.00 0.26 0.00 0.00 34.13 30.28 1urh s GLU 143 CO 0.49 -0.17 1.07 0.12 -0.54 0.00 0.00 175.26 176.23 1urh s PHE 144 N 1.04 -0.45 0.33 5.30 5.36 -1.26 -2.51 117.98 125.79 1urh s PHE 144 Ca 0.56 0.36 0.03 0.00 -0.96 0.00 0.00 56.93 56.92 1urh s PHE 144 Cb -0.26 0.11 -0.04 0.00 -0.34 0.00 0.00 43.02 42.49 1urh s PHE 144 CO 0.29 -0.25 0.11 1.21 -1.46 0.00 0.00 175.22 175.12 1urh s ASN 145 N 2.96 1.97 0.00 6.13 3.84 -1.26 -4.44 114.94 124.14 1urh s ASN 145 Ca 0.13 -1.51 0.00 0.00 0.21 0.00 0.00 52.86 51.69 1urh s ASN 145 Cb -0.06 0.25 0.00 0.00 -0.55 0.00 0.00 41.25 40.90 1urh s ASN 145 CO -0.17 -0.80 0.00 0.00 -2.79 0.00 0.00 177.10 173.35 1urh n ALA 146 N -0.66 -0.27 0.00 1.71 0.00 -1.26 -5.01 120.51 115.02 1urh n ALA 146 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1urh n ALA 146 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1urh n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1urh n ALA 147 N 0.00 0.00 0.00 0.00 0.00 -1.26 -5.00 120.51 114.25 1urh n ALA 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1urh n ALA 147 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1urh n ALA 147 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1urh n PHE 148 N -1.42 0.00 -3.97 0.00 7.35 -1.26 -4.46 117.46 113.71 1urh n PHE 148 Ca 0.00 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.43 1urh n PHE 148 Cb 0.00 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.66 1urh n PHE 148 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1urh s ASN 149 N 0.00 2.02 -0.01 -2.13 3.84 -0.41 -4.77 114.94 113.48 1urh s ASN 149 Ca 0.00 -0.27 -0.23 0.00 0.21 0.00 0.00 52.86 52.57 1urh s ASN 149 Cb 0.00 -0.78 -0.15 0.00 -0.55 0.00 0.00 41.25 39.77 1urh s ASN 149 CO 0.00 -0.11 1.07 -0.65 -2.79 0.00 0.00 177.10 174.62 1urh h PRO 150 N 8.04 -0.50 0.00 0.43 0.11 -1.94 -3.29 132.00 134.84 1urh h PRO 150 Ca -0.29 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1urh h PRO 150 Cb 1.14 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1urh h PRO 150 CO 0.40 -0.19 0.69 -1.91 -0.21 0.00 0.00 178.00 176.79 1urh n GLU 151 N -5.16 0.01 0.04 1.05 4.07 -1.26 -0.18 120.64 119.22 1urh n GLU 151 Ca -0.09 0.45 0.12 0.00 -0.06 0.00 0.00 57.16 57.57 1urh n GLU 151 Cb 0.28 -2.11 0.11 0.00 -0.06 0.00 0.00 31.44 29.67 1urh n GLU 151 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1urh n ALA 152 N -1.18 3.17 -2.38 4.31 0.00 -1.24 -4.60 120.51 118.60 1urh n ALA 152 Ca 0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 52.92 1urh n ALA 152 Cb 0.69 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 1urh n ALA 152 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1urh s VAL 153 N -3.17 1.55 0.07 0.00 1.01 0.75 -1.27 120.40 119.34 1urh s VAL 153 Ca 0.05 -2.13 0.01 0.00 0.00 0.00 0.00 61.98 59.91 1urh s VAL 153 Cb 0.14 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1urh s VAL 153 CO 0.75 -0.42 -0.05 0.68 0.00 0.00 0.00 175.10 176.06 1urh s VAL 154 N -3.08 0.47 0.24 2.92 -7.23 -1.06 -4.88 120.40 107.78 1urh s VAL 154 Ca 0.26 -1.64 -0.19 0.00 -1.81 0.00 0.00 61.98 58.61 1urh s VAL 154 Cb 0.03 -1.30 -0.08 0.00 0.56 0.00 0.00 36.38 35.58 1urh s VAL 154 CO 0.09 -0.78 0.72 -0.54 -0.31 0.00 0.00 175.10 174.28 1urh s LYS 155 N -3.22 4.20 0.51 4.82 1.02 -1.26 -4.48 119.74 121.33 1urh s LYS 155 Ca 0.04 0.82 0.25 0.00 0.02 0.00 0.00 55.97 57.09 1urh s LYS 155 Cb 0.02 -2.80 1.35 0.00 -0.52 0.00 0.00 37.83 35.88 1urh s LYS 155 CO -0.05 0.36 1.96 0.28 -0.92 0.00 0.00 175.35 176.98 1urh h VAL 156 N 2.60 0.71 0.00 3.17 2.07 -1.88 -0.74 116.25 122.18 1urh h VAL 156 Ca -0.48 -0.03 -0.19 0.00 0.82 0.00 0.00 66.70 66.83 1urh h VAL 156 Cb 1.19 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1urh h VAL 156 CO 0.65 0.01 -0.88 0.71 0.02 0.00 0.00 177.57 178.08 1urh h THR 157 N 0.08 1.64 0.00 2.57 1.35 -1.98 -3.20 112.91 113.36 1urh h THR 157 Ca 0.31 -3.03 -0.18 0.00 -0.55 0.00 0.00 66.41 62.96 1urh h THR 157 Cb 1.12 2.64 -0.03 0.00 -1.73 0.00 0.00 68.15 70.15 1urh h THR 157 CO -0.03 0.87 -0.98 0.44 -0.25 0.00 0.00 175.52 175.57 1urh h ASP 158 N 0.00 0.00 -0.14 5.36 5.19 -1.54 -2.86 116.42 122.42 1urh h ASP 158 Ca -0.01 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1urh h ASP 158 Cb 1.57 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.07 1urh h ASP 158 CO 0.12 0.77 0.07 0.58 -3.12 0.00 0.00 179.24 177.65 1urh h VAL 159 N 0.00 1.13 0.44 -1.35 2.07 -1.49 -0.62 116.25 116.43 1urh h VAL 159 Ca -0.07 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1urh h VAL 159 Cb 1.64 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1urh h VAL 159 CO 0.09 0.12 -0.23 0.25 0.02 0.00 0.00 177.57 177.82 1urh h LEU 160 N 0.10 -0.56 -2.01 2.57 5.85 -1.62 1.46 115.31 121.11 1urh h LEU 160 Ca 0.05 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.95 1urh h LEU 160 Cb 0.13 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1urh h LEU 160 CO -0.01 -0.38 0.42 -0.07 -0.34 0.00 0.00 178.44 178.06 1urh h LEU 161 N -0.62 0.00 0.12 2.25 3.38 -1.43 0.78 115.31 119.78 1urh h LEU 161 Ca -0.06 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.62 1urh h LEU 161 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1urh h LEU 161 CO 0.08 0.00 -1.52 0.00 0.09 0.00 0.00 178.44 177.10 1urh h ALA 162 N 1.67 0.22 -0.40 1.53 0.00 -0.07 -3.18 119.26 119.02 1urh h ALA 162 Ca 0.26 -1.14 -0.12 0.00 0.00 0.00 0.00 54.91 53.91 1urh h ALA 162 Cb 1.10 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1urh h ALA 162 CO -0.00 0.90 -0.23 1.03 0.00 0.00 0.00 179.25 180.95 1urh h SER 163 N -0.26 0.82 0.36 0.00 0.87 0.28 0.42 113.55 116.04 1urh h SER 163 Ca -0.33 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 59.91 1urh h SER 163 Cb 1.80 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1urh h SER 163 CO 0.06 1.02 -0.17 -0.74 -0.53 0.00 0.00 176.83 176.47 1urh h HIS 164 N 0.70 -0.45 -0.37 2.24 6.17 0.40 -3.00 115.15 120.85 1urh h HIS 164 Ca 0.09 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.16 1urh h HIS 164 Cb 0.75 0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.83 1urh h HIS 164 CO 0.04 -0.27 0.00 -0.85 0.71 0.00 0.00 177.93 177.56 1urh n GLU 165 N -5.30 2.18 -3.40 5.26 0.28 -1.20 -4.97 120.64 113.49 1urh n GLU 165 Ca -0.11 -1.80 -0.19 0.00 -0.16 0.00 0.00 57.16 54.90 1urh n GLU 165 Cb 0.21 -1.45 0.06 0.00 1.43 0.00 0.00 31.44 31.70 1urh n GLU 165 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1urh n ASN 166 N 1.00 -5.11 -0.03 -1.84 2.85 0.12 -4.92 115.26 107.33 1urh n ASN 166 Ca 0.18 -0.76 -0.13 0.00 -0.11 0.00 0.00 54.58 53.76 1urh n ASN 166 Cb 0.47 -4.76 -0.14 0.00 1.24 0.00 0.00 39.78 36.60 1urh n ASN 166 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1urh n THR 167 N -3.65 1.62 -4.43 -0.44 -2.24 0.30 -4.96 114.28 100.48 1urh n THR 167 Ca -0.13 -0.75 -0.19 0.00 -2.27 0.00 0.00 64.05 60.70 1urh n THR 167 Cb 0.63 -1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 67.64 1urh n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1urh n ALA 168 N -2.74 0.30 -2.75 6.98 0.00 -1.25 -4.27 120.51 116.77 1urh n ALA 168 Ca -0.25 -1.40 -0.16 0.00 0.00 0.00 0.00 53.44 51.63 1urh n ALA 168 Cb 1.06 0.81 -0.14 0.00 0.00 0.00 0.00 19.45 21.18 1urh n ALA 168 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1urh s GLN 169 N -3.10 0.47 0.14 0.00 -2.07 -0.74 -4.79 119.66 109.56 1urh s GLN 169 Ca 0.04 -0.24 0.05 0.00 -1.82 0.00 0.00 55.36 53.39 1urh s GLN 169 Cb 0.00 -0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 31.44 1urh s GLN 169 CO 0.03 0.12 0.08 0.42 -1.32 0.00 0.00 175.29 174.61 1urh s ILE 170 N -0.22 4.27 0.02 3.63 1.01 -1.26 -0.95 121.20 127.70 1urh s ILE 170 Ca 0.01 -1.07 0.07 0.00 0.00 0.00 0.00 60.65 59.66 1urh s ILE 170 Cb -0.03 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1urh s ILE 170 CO -0.00 -0.03 -0.20 -0.63 0.00 0.00 0.00 174.94 174.08 1urh s ILE 171 N -1.60 1.58 -0.27 2.92 1.01 0.17 -0.97 121.20 124.04 1urh s ILE 171 Ca 0.29 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1urh s ILE 171 Cb -0.11 -1.35 0.05 0.00 0.01 0.00 0.00 42.46 41.07 1urh s ILE 171 CO 0.21 0.30 -0.08 -0.62 0.00 0.00 0.00 174.94 174.76 1urh s ASP 172 N -0.84 4.55 0.00 3.58 -1.08 -0.01 -2.01 116.67 120.85 1urh s ASP 172 Ca 0.07 -1.32 0.26 0.00 -0.52 0.00 0.00 52.55 51.04 1urh s ASP 172 Cb -0.08 -1.60 1.42 0.00 -1.46 0.00 0.00 42.92 41.19 1urh s ASP 172 CO 0.01 -0.20 1.90 0.00 0.52 0.00 0.00 175.17 177.39 1urh n ALA 173 N 4.51 2.37 -1.74 3.66 0.00 -1.26 -2.11 120.51 125.93 1urh n ALA 173 Ca -0.14 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 1urh n ALA 173 Cb 0.43 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.46 1urh n ALA 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1urh n ARG 174 N -1.17 2.24 -1.68 0.00 1.74 -1.26 -1.86 116.66 114.67 1urh n ARG 174 Ca 0.15 0.79 -0.45 0.00 -0.77 0.00 0.00 57.85 57.58 1urh n ARG 174 Cb 0.16 -2.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.05 1urh n ARG 174 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1urh n PRO 175 N 0.14 2.22 -0.18 5.56 -0.04 -1.26 -4.21 135.00 137.22 1urh n PRO 175 Ca 0.05 0.79 0.17 0.00 -0.04 0.00 0.00 63.50 64.47 1urh n PRO 175 Cb 0.39 -2.52 0.30 0.00 -0.04 0.00 0.00 33.50 31.64 1urh n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1urh n ALA 176 N 2.58 0.56 -0.83 0.55 0.00 -1.26 -2.09 120.51 120.01 1urh n ALA 176 Ca 0.13 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1urh n ALA 176 Cb 0.32 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1urh n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1urh n ALA 177 N -2.61 -0.05 0.00 0.00 0.00 -1.26 -2.35 120.51 114.23 1urh n ALA 177 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1urh n ALA 177 Cb 0.68 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1urh n ALA 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1urh n ARG 178 N -0.99 0.00 0.00 0.00 1.74 -0.89 -3.27 116.66 113.25 1urh n ARG 178 Ca 0.00 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1urh n ARG 178 Cb 0.00 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 1urh n ARG 178 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1urh n PHE 179 N -1.28 0.00 0.12 -1.55 7.35 -0.99 -4.10 117.46 117.01 1urh n PHE 179 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1urh n PHE 179 Cb 0.16 -0.43 0.00 0.00 0.35 0.00 0.00 39.48 39.57 1urh n PHE 179 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1urh n ASN 180 N -1.78 0.33 -2.14 -2.13 2.04 -1.20 -5.02 115.26 105.36 1urh n ASN 180 Ca 0.00 -0.24 0.00 0.00 -0.44 0.00 0.00 54.58 53.90 1urh n ASN 180 Cb 0.00 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.19 1urh n ASN 180 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1urh n ALA 181 N 0.86 -2.06 -1.64 -2.53 0.00 -1.26 -5.14 120.51 108.75 1urh n ALA 181 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1urh n ALA 181 Cb 0.06 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1urh n ALA 181 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1urh n ARG 192 N 1.82 0.00 -1.19 0.00 1.85 -1.26 -5.08 116.66 112.80 1urh n ARG 192 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.58 1urh n ARG 192 Cb 0.00 -1.93 -0.14 0.00 -1.05 0.00 0.00 32.46 29.34 1urh n ARG 192 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1urh n GLY 193 N -1.05 -0.39 3.58 2.89 0.00 -1.26 -4.77 105.19 104.19 1urh n GLY 193 Ca 0.00 0.56 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 1urh n GLY 193 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1urh s HIS 194 N 4.39 1.81 0.19 1.61 5.04 -1.26 -4.91 115.29 122.16 1urh s HIS 194 Ca 1.07 0.71 -0.33 0.00 -1.54 0.00 0.00 55.06 54.97 1urh s HIS 194 Cb -0.88 -4.13 -0.13 0.00 0.04 0.00 0.00 32.58 27.49 1urh s HIS 194 CO 0.41 -2.59 1.64 -0.89 -2.34 0.00 0.00 174.74 170.98 1urh n ILE 195 N 7.31 0.07 -2.19 0.89 -0.00 -1.26 -4.89 119.36 119.29 1urh n ILE 195 Ca 0.21 -0.02 -0.41 0.00 -0.00 0.00 0.00 62.75 62.54 1urh n ILE 195 Cb 0.49 -1.76 -0.03 0.00 -0.00 0.00 0.00 39.64 38.34 1urh n ILE 195 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1urh s PRO 196 N 0.93 4.38 0.00 0.38 0.04 -1.26 -2.38 135.00 137.10 1urh s PRO 196 Ca 0.76 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.91 1urh s PRO 196 Cb -0.59 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1urh s PRO 196 CO 0.36 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.59 1urh n GLY 197 N 1.89 2.73 3.68 0.56 0.00 -1.26 -5.00 105.19 107.78 1urh n GLY 197 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1urh n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1urh n ALA 198 N -1.56 1.22 -2.81 4.61 0.00 -1.00 -4.69 120.51 116.29 1urh n ALA 198 Ca 0.00 0.40 -0.36 0.00 0.00 0.00 0.00 53.44 53.48 1urh n ALA 198 Cb 0.00 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.10 1urh n ALA 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1urh s LEU 199 N -0.11 4.32 -0.07 0.00 1.43 -0.15 -4.90 118.68 119.21 1urh s LEU 199 Ca 0.66 0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 53.97 1urh s LEU 199 Cb -0.63 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1urh s LEU 199 CO 0.52 0.31 0.53 0.21 0.23 0.00 0.00 176.35 178.14 1urh s ASN 200 N -0.47 6.81 -0.42 2.29 2.47 -1.26 -0.83 114.94 123.53 1urh s ASN 200 Ca 0.13 0.96 0.05 0.00 0.42 0.00 0.00 52.86 54.42 1urh s ASN 200 Cb -0.12 -2.32 0.18 0.00 -1.45 0.00 0.00 41.25 37.55 1urh s ASN 200 CO 0.02 0.05 0.37 0.52 -3.72 0.00 0.00 177.10 174.34 1urh n VAL 201 N 3.23 -1.01 -1.72 -5.21 0.31 -0.90 -4.88 118.33 108.15 1urh n VAL 201 Ca -0.07 -3.57 -0.62 0.00 -0.01 0.00 0.00 64.34 60.06 1urh n VAL 201 Cb 0.51 -1.72 -0.09 0.00 -0.91 0.00 0.00 33.84 31.64 1urh n VAL 201 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1urh n PRO 202 N 2.61 0.58 0.17 5.55 -0.02 -1.26 -4.36 135.00 138.27 1urh n PRO 202 Ca 0.28 0.21 0.18 0.00 -2.02 0.00 0.00 63.50 62.16 1urh n PRO 202 Cb 0.48 -1.81 0.80 0.00 -0.02 0.00 0.00 33.50 32.96 1urh n PRO 202 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1urh h TRP 203 N 6.02 0.00 -0.12 6.00 5.08 -1.63 -0.89 115.95 130.41 1urh h TRP 203 Ca -0.45 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.39 1urh h TRP 203 Cb 1.35 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.49 1urh h TRP 203 CO 0.71 0.00 -0.47 1.79 -1.28 0.00 0.00 178.44 179.18 1urh h THR 204 N 0.00 1.33 -0.15 0.12 1.35 -1.86 -2.90 112.91 110.79 1urh h THR 204 Ca 0.12 -1.68 0.04 0.00 -0.55 0.00 0.00 66.41 64.34 1urh h THR 204 Cb 0.70 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1urh h THR 204 CO -0.00 0.50 0.16 -0.08 -0.25 0.00 0.00 175.52 175.85 1urh h GLU 205 N 0.25 0.00 -0.01 4.72 4.81 -1.51 -0.38 114.58 122.47 1urh h GLU 205 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1urh h GLU 205 Cb 0.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1urh h GLU 205 CO 0.08 0.00 -0.20 1.28 -0.73 0.00 0.00 179.01 179.44 1urh n LEU 206 N -3.92 0.96 -4.45 1.64 4.77 -1.10 -4.92 117.00 109.97 1urh n LEU 206 Ca 0.01 -0.23 -0.31 0.00 -0.03 0.00 0.00 56.01 55.44 1urh n LEU 206 Cb 0.27 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.11 1urh n LEU 206 CO 0.29 0.18 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.35 1urh s VAL 207 N -2.44 2.84 -0.28 4.08 1.01 -0.15 -2.51 120.40 122.95 1urh s VAL 207 Ca 0.27 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1urh s VAL 207 Cb 0.20 -2.15 0.09 0.00 0.00 0.00 0.00 36.38 34.52 1urh s VAL 207 CO 0.49 0.44 0.10 -0.60 0.00 0.00 0.00 175.10 175.53 1urh s ARG 208 N -1.14 0.43 -0.62 2.72 6.06 0.33 -4.87 118.95 121.86 1urh s ARG 208 Ca 0.13 -0.70 -0.17 0.00 -2.50 0.00 0.00 55.73 52.49 1urh s ARG 208 Cb -0.10 -1.62 0.03 0.00 0.06 0.00 0.00 34.95 33.31 1urh s ARG 208 CO 0.03 -0.94 0.64 -0.85 -2.50 0.00 0.00 175.30 171.68 1urh n GLU 209 N 5.08 -1.78 -0.60 5.12 0.28 -1.26 -2.99 120.64 124.49 1urh n GLU 209 Ca -0.05 1.27 0.00 0.00 -0.16 0.00 0.00 57.16 58.22 1urh n GLU 209 Cb 0.43 -3.00 0.00 0.00 1.43 0.00 0.00 31.44 30.30 1urh n GLU 209 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1urh n GLY 210 N -0.93 1.35 3.55 -1.84 0.00 -0.76 -3.96 105.19 102.60 1urh n GLY 210 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1urh n GLY 210 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1urh s GLU 211 N -0.13 1.48 0.32 1.61 -1.05 -1.16 -2.58 118.70 117.18 1urh s GLU 211 Ca 0.00 -1.20 -0.29 0.00 -0.15 0.00 0.00 54.97 53.33 1urh s GLU 211 Cb 0.00 0.46 -0.10 0.00 -0.44 0.00 0.00 34.13 34.05 1urh s GLU 211 CO 0.00 -0.61 1.21 -0.51 0.95 0.00 0.00 175.26 176.30 1urh s LEU 212 N -3.00 4.46 1.33 1.83 1.43 -1.26 -0.51 118.68 122.96 1urh s LEU 212 Ca 0.20 2.48 -0.20 0.00 -1.03 0.00 0.00 54.13 55.58 1urh s LEU 212 Cb -0.00 -3.67 0.34 0.00 0.03 0.00 0.00 46.19 42.88 1urh s LEU 212 CO 0.07 -0.38 0.98 -0.54 0.23 0.00 0.00 176.35 176.70 1urh s LYS 213 N -1.70 -2.25 0.93 1.70 1.02 -1.04 -4.78 119.74 113.62 1urh s LYS 213 Ca 0.48 0.22 -0.12 0.00 0.02 0.00 0.00 55.97 56.57 1urh s LYS 213 Cb -0.36 -1.45 0.15 0.00 -0.52 0.00 0.00 37.83 35.65 1urh s LYS 213 CO 0.47 -4.45 1.09 0.95 -0.92 0.00 0.00 175.35 172.48 1urh s THR 214 N -2.45 2.49 0.13 2.17 -4.23 -1.26 -4.74 115.64 107.74 1urh s THR 214 Ca 0.69 0.16 -0.24 0.00 -1.18 0.00 0.00 61.69 61.12 1urh s THR 214 Cb -0.15 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 1urh s THR 214 CO 0.59 -0.21 1.65 0.74 -0.54 0.00 0.00 174.62 176.85 1urh h THR 215 N -1.69 0.52 -0.99 3.99 2.02 -1.98 0.07 112.91 114.85 1urh h THR 215 Ca -0.51 0.00 0.23 0.00 0.77 0.00 0.00 66.41 66.90 1urh h THR 215 Cb 1.29 0.52 -0.09 0.00 -1.74 0.00 0.00 68.15 68.14 1urh h THR 215 CO 0.54 0.00 0.63 0.44 0.37 0.00 0.00 175.52 177.51 1urh h ASP 216 N -0.28 0.52 0.35 4.18 3.32 -1.98 0.54 116.42 123.08 1urh h ASP 216 Ca 0.08 0.07 -0.24 0.00 0.02 0.00 0.00 57.03 56.96 1urh h ASP 216 Cb 0.39 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1urh h ASP 216 CO -0.23 0.16 -0.99 -0.33 -1.72 0.00 0.00 179.24 176.13 1urh h GLU 217 N 0.49 0.41 -0.22 3.56 5.08 -1.63 -1.83 114.58 120.43 1urh h GLU 217 Ca 0.55 -0.47 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1urh h GLU 217 Cb 1.24 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1urh h GLU 217 CO -0.28 1.14 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.39 1urh h LEU 218 N 0.22 0.56 -0.78 1.33 3.38 0.79 -2.27 115.31 118.54 1urh h LEU 218 Ca -0.09 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 1urh h LEU 218 Cb 1.64 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1urh h LEU 218 CO 0.17 0.91 -0.24 -0.78 0.09 0.00 0.00 178.44 178.59 1urh h ASP 219 N 0.44 0.68 1.48 -0.43 -0.00 0.06 -2.51 116.42 116.14 1urh h ASP 219 Ca 0.04 -0.24 0.00 0.00 -0.00 0.00 0.00 57.03 56.83 1urh h ASP 219 Cb 0.90 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 40.05 1urh h ASP 219 CO 0.08 0.90 0.00 0.00 -0.00 0.00 0.00 179.24 180.21 1urh h ALA 220 N 1.16 1.00 0.03 -0.78 0.00 -1.13 -2.47 119.26 117.06 1urh h ALA 220 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1urh h ALA 220 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1urh h ALA 220 CO 0.05 0.00 -0.01 0.82 0.00 0.00 0.00 179.25 180.11 1urh h ILE 221 N 0.00 0.56 -0.29 0.00 1.08 -1.11 -2.24 117.51 115.51 1urh h ILE 221 Ca 0.00 -1.37 0.07 0.00 -0.39 0.00 0.00 64.86 63.18 1urh h ILE 221 Cb 0.74 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 1urh h ILE 221 CO 0.00 0.18 0.21 -0.26 -0.69 0.00 0.00 178.15 177.59 1urh h PHE 222 N -1.00 0.05 0.31 1.37 0.05 -1.53 -2.63 116.94 113.56 1urh h PHE 222 Ca -0.00 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 1urh h PHE 222 Cb 0.33 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 38.27 1urh h PHE 222 CO 0.08 0.03 -0.15 0.35 -0.18 0.00 0.00 178.31 178.45 1urh h PHE 223 N 0.05 -0.38 0.00 -0.55 3.57 -1.50 -1.67 116.94 116.46 1urh h PHE 223 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1urh h PHE 223 Cb 0.48 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1urh h PHE 223 CO -0.00 -0.05 0.00 0.41 -2.23 0.00 0.00 178.31 176.44 1urh n GLY 224 N 0.27 -0.03 0.23 2.40 0.00 -0.84 -1.30 105.19 105.92 1urh n GLY 224 Ca -0.08 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1urh n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1urh n ARG 225 N -0.94 1.36 0.00 1.61 5.12 -1.02 -4.99 116.66 117.80 1urh n ARG 225 Ca 0.01 -0.70 0.00 0.00 -1.93 0.00 0.00 57.85 55.23 1urh n ARG 225 Cb 0.00 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 1urh n ARG 225 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1urh n GLY 226 N 0.64 1.67 3.74 -0.13 0.00 -0.42 -4.68 105.19 106.01 1urh n GLY 226 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1urh n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1urh s VAL 227 N -2.34 2.60 0.08 1.61 1.01 -0.64 -5.02 120.40 117.70 1urh s VAL 227 Ca 0.00 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.53 1urh s VAL 227 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1urh s VAL 227 CO 0.00 0.07 -0.17 -0.44 0.00 0.00 0.00 175.10 174.56 1urh s SER 228 N 0.55 1.97 0.00 3.32 0.01 -1.26 -4.40 113.70 113.89 1urh s SER 228 Ca 0.62 -0.61 0.20 0.00 1.31 0.00 0.00 55.95 57.46 1urh s SER 228 Cb -0.43 -0.09 0.54 0.00 0.21 0.00 0.00 66.02 66.25 1urh s SER 228 CO 0.41 -0.01 1.45 -1.22 0.41 0.00 0.00 173.24 174.28 1urh n TYR 229 N 1.33 0.76 -0.01 2.43 4.01 -1.26 -4.32 117.16 120.10 1urh n TYR 229 Ca -0.20 -0.38 -0.08 0.00 -0.16 0.00 0.00 57.90 57.08 1urh n TYR 229 Cb 0.54 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.51 1urh n TYR 229 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1urh h ASP 230 N 3.64 -0.09 -3.06 7.72 2.03 -2.01 -3.45 116.42 121.21 1urh h ASP 230 Ca 0.00 -0.39 -0.60 0.00 -0.73 0.00 0.00 57.03 55.30 1urh h ASP 230 Cb 0.83 0.02 -0.05 0.00 -0.83 0.00 0.00 39.33 39.30 1urh h ASP 230 CO 0.00 0.56 -0.22 -0.54 -1.03 0.00 0.00 179.24 178.01 1urh s LYS 231 N -2.48 3.85 0.99 4.15 1.02 -1.26 -5.06 119.74 120.95 1urh s LYS 231 Ca -0.10 0.31 -0.17 0.00 0.02 0.00 0.00 55.97 56.04 1urh s LYS 231 Cb -0.01 -3.12 -0.06 0.00 -0.52 0.00 0.00 37.83 34.13 1urh s LYS 231 CO 0.37 0.63 -0.33 -2.30 -0.92 0.00 0.00 175.35 172.80 1urh n PRO 232 N 1.42 -0.28 -4.28 -1.68 -0.02 -1.26 -4.69 135.00 124.21 1urh n PRO 232 Ca -0.11 -0.06 -0.23 0.00 -2.02 0.00 0.00 63.50 61.08 1urh n PRO 232 Cb 0.52 -1.40 -0.12 0.00 -0.02 0.00 0.00 33.50 32.48 1urh n PRO 232 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1urh s ILE 233 N -2.18 1.64 -0.03 4.25 1.01 -1.25 -1.79 121.20 122.84 1urh s ILE 233 Ca 0.48 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1urh s ILE 233 Cb -0.16 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.80 1urh s ILE 233 CO 0.74 -0.13 -0.00 -0.63 0.00 0.00 0.00 174.94 174.91 1urh s ILE 234 N -1.35 0.20 -0.17 2.92 1.01 -0.12 -3.16 121.20 120.53 1urh s ILE 234 Ca 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 1urh s ILE 234 Cb -0.09 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 1urh s ILE 234 CO 0.04 0.16 -0.04 -0.69 0.00 0.00 0.00 174.94 174.40 1urh s VAL 235 N 1.07 3.67 0.00 2.92 1.01 0.50 -0.65 120.40 128.92 1urh s VAL 235 Ca -0.09 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1urh s VAL 235 Cb -0.14 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1urh s VAL 235 CO -0.02 0.47 0.00 -0.24 0.00 0.00 0.00 175.10 175.31 1urh n SER 236 N 3.95 0.00 0.00 3.32 2.88 -0.85 0.37 113.62 123.29 1urh n SER 236 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1urh n SER 236 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1urh n SER 236 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1urh n GLY 238 N 5.00 1.78 0.00 0.46 0.00 -1.26 -4.36 105.19 106.81 1urh n GLY 238 Ca 0.00 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.73 1urh n GLY 238 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1urh n SER 239 N 0.09 0.00 0.00 1.61 3.41 -1.26 -4.94 113.62 112.53 1urh n SER 239 Ca 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 1urh n SER 239 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1urh n SER 239 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1urh n GLY 240 N 0.39 0.38 0.23 5.00 0.00 -1.26 -4.17 105.19 105.76 1urh n GLY 240 Ca 0.16 -1.37 0.16 0.00 0.00 0.00 0.00 46.02 44.97 1urh n GLY 240 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1urh h VAL 241 N 0.00 0.00 0.00 1.61 3.04 -1.94 -3.15 116.25 115.81 1urh h VAL 241 Ca 0.00 -0.12 -0.05 0.00 -1.01 0.00 0.00 66.70 65.52 1urh h VAL 241 Cb 0.00 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 1urh h VAL 241 CO 0.00 0.00 -0.22 0.71 -1.01 0.00 0.00 177.57 177.05 1urh h THR 242 N 0.00 0.47 -0.57 3.17 1.35 -1.74 -3.25 112.91 112.35 1urh h THR 242 Ca 0.00 -1.27 0.17 0.00 -0.55 0.00 0.00 66.41 64.75 1urh h THR 242 Cb 0.14 1.92 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1urh h THR 242 CO 0.00 0.22 0.47 0.00 -0.25 0.00 0.00 175.52 175.96 1urh h ALA 243 N 1.78 2.43 -0.78 6.62 0.00 -1.83 0.24 119.26 127.71 1urh h ALA 243 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1urh h ALA 243 Cb 0.90 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1urh h ALA 243 CO 0.03 -0.76 0.51 0.00 0.00 0.00 0.00 179.25 179.03 1urh h ALA 244 N 1.60 1.81 -0.86 0.00 0.00 -1.84 -1.70 119.26 118.27 1urh h ALA 244 Ca 0.27 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.37 1urh h ALA 244 Cb 1.20 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 1urh h ALA 244 CO -0.00 0.03 0.36 0.28 0.00 0.00 0.00 179.25 179.91 1urh h VAL 245 N 0.68 0.53 0.00 0.00 2.07 -0.78 0.13 116.25 118.89 1urh h VAL 245 Ca 0.37 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.65 1urh h VAL 245 Cb 0.50 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1urh h VAL 245 CO -0.14 0.08 -0.44 0.58 0.02 0.00 0.00 177.57 177.67 1urh h VAL 246 N 0.42 1.07 -0.11 2.57 2.07 -1.44 -2.24 116.25 118.59 1urh h VAL 246 Ca 0.51 -1.63 -0.14 0.00 0.82 0.00 0.00 66.70 66.26 1urh h VAL 246 Cb 0.92 1.95 0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1urh h VAL 246 CO -0.49 0.43 -0.49 0.25 0.02 0.00 0.00 177.57 177.29 1urh h LEU 247 N 0.00 0.62 -0.35 2.57 6.46 -0.72 -2.78 115.31 121.12 1urh h LEU 247 Ca -0.00 -0.63 0.04 0.00 -0.12 0.00 0.00 57.88 57.17 1urh h LEU 247 Cb 0.91 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 1urh h LEU 247 CO 0.06 1.15 0.10 0.25 -0.62 0.00 0.00 178.44 179.38 1urh h LEU 248 N 0.13 0.09 -0.38 2.25 5.85 -0.99 0.33 115.31 122.58 1urh h LEU 248 Ca -0.03 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1urh h LEU 248 Cb 1.13 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1urh h LEU 248 CO 0.10 0.09 0.23 0.00 -0.34 0.00 0.00 178.44 178.51 1urh h ALA 249 N 1.23 0.48 -0.37 1.25 0.00 -1.39 0.14 119.26 120.60 1urh h ALA 249 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1urh h ALA 249 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1urh h ALA 249 CO -0.18 -0.11 0.07 -0.07 0.00 0.00 0.00 179.25 178.96 1urh h LEU 250 N 0.46 0.50 -1.03 0.00 -0.00 -1.14 -0.31 115.31 113.79 1urh h LEU 250 Ca 0.15 -0.07 -0.05 0.00 -0.00 0.00 0.00 57.88 57.90 1urh h LEU 250 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.51 1urh h LEU 250 CO -0.07 0.52 0.12 0.00 -0.00 0.00 0.00 178.44 179.01 1urh h ALA 251 N 1.55 1.21 -0.24 1.53 0.00 0.11 -2.14 119.26 121.28 1urh h ALA 251 Ca 0.12 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1urh h ALA 251 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1urh h ALA 251 CO -0.00 0.54 -0.60 1.15 0.00 0.00 0.00 179.25 180.34 1urh h THR 252 N 0.79 1.29 0.00 0.00 2.02 -0.00 -2.92 112.91 114.08 1urh h THR 252 Ca 0.17 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.55 1urh h THR 252 Cb 0.30 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1urh h THR 252 CO -0.00 0.58 0.00 0.18 0.37 0.00 0.00 175.52 176.65 1urh n LEU 253 N -3.98 0.00 0.00 2.58 4.32 -0.20 -2.71 117.00 117.02 1urh n LEU 253 Ca -0.05 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1urh n LEU 253 Cb 0.65 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 1urh n LEU 253 CO 0.50 -0.02 0.00 0.47 -1.22 0.00 0.00 177.39 177.12 1urh n ASP 254 N -1.06 -2.01 -4.68 -1.43 8.00 -0.95 -4.98 116.55 109.44 1urh n ASP 254 Ca 0.13 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 1urh n ASP 254 Cb 0.08 -1.09 -0.03 0.00 -0.02 0.00 0.00 41.12 40.07 1urh n ASP 254 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1urh s VAL 255 N -2.38 2.87 0.62 2.53 1.01 -0.85 -4.98 120.40 119.22 1urh s VAL 255 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1urh s VAL 255 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1urh s VAL 255 CO 0.00 -0.01 0.95 -2.16 0.00 0.00 0.00 175.10 173.88 1urh s PRO 256 N 3.28 2.91 -1.15 2.72 0.04 -1.26 -4.59 135.00 136.95 1urh s PRO 256 Ca 0.81 0.10 -0.21 0.00 0.04 0.00 0.00 61.00 61.73 1urh s PRO 256 Cb -0.43 -2.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.90 1urh s PRO 256 CO 0.36 -0.78 0.78 0.27 0.04 0.00 0.00 177.00 177.67 1urh n ASN 257 N -2.68 -5.06 -4.22 6.66 0.23 -1.26 -4.79 115.26 104.14 1urh n ASN 257 Ca 0.05 -1.04 -0.33 0.00 -0.53 0.00 0.00 54.58 52.73 1urh n ASN 257 Cb 0.57 -3.24 -0.16 0.00 -2.08 0.00 0.00 39.78 34.88 1urh n ASN 257 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1urh s VAL 258 N -3.48 2.43 0.16 3.53 1.01 -1.26 -3.89 120.40 118.89 1urh s VAL 258 Ca 0.46 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1urh s VAL 258 Cb -0.17 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1urh s VAL 258 CO 0.87 0.52 -0.16 -0.54 0.00 0.00 0.00 175.10 175.80 1urh s LYS 259 N 0.93 1.19 0.23 2.72 1.02 -1.19 -4.77 119.74 119.87 1urh s LYS 259 Ca -0.03 -1.39 -0.13 0.00 0.02 0.00 0.00 55.97 54.44 1urh s LYS 259 Cb -0.15 -1.11 -0.08 0.00 -0.52 0.00 0.00 37.83 35.97 1urh s LYS 259 CO -0.03 0.21 0.60 -0.51 -0.92 0.00 0.00 175.35 174.71 1urh s LEU 260 N -2.74 4.19 -0.02 3.17 1.43 -0.40 -0.37 118.68 123.94 1urh s LEU 260 Ca 0.15 1.07 0.03 0.00 -1.03 0.00 0.00 54.13 54.35 1urh s LEU 260 Cb -0.04 -3.68 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 1urh s LEU 260 CO 0.05 -0.06 -0.12 -0.47 0.23 0.00 0.00 176.35 175.98 1urh s TYR 261 N -1.76 1.21 -0.37 0.29 5.04 0.16 -2.56 117.35 119.35 1urh s TYR 261 Ca 0.47 -0.29 -0.02 0.00 -2.44 0.00 0.00 57.07 54.79 1urh s TYR 261 Cb -0.12 -0.82 0.09 0.00 0.35 0.00 0.00 41.96 41.46 1urh s TYR 261 CO 0.20 -0.09 0.14 0.34 -1.34 0.00 0.00 175.55 174.80 1urh s ASP 262 N -0.01 5.11 -0.17 4.32 2.15 -1.26 -4.45 116.67 122.35 1urh s ASP 262 Ca -0.00 -1.88 -0.03 0.00 0.43 0.00 0.00 52.55 51.07 1urh s ASP 262 Cb -0.08 -1.77 -0.09 0.00 -0.30 0.00 0.00 42.92 40.67 1urh s ASP 262 CO 0.01 -0.46 1.79 0.61 -0.17 0.00 0.00 175.17 176.95 1urh n GLY 263 N 4.55 2.05 3.19 2.66 0.00 -1.26 -4.71 105.19 111.67 1urh n GLY 263 Ca -0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 1urh n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1urh s ALA 264 N 2.59 1.01 0.78 4.61 0.00 -1.26 -5.05 121.76 124.44 1urh s ALA 264 Ca 0.28 -1.58 -0.12 0.00 0.00 0.00 0.00 51.96 50.54 1urh s ALA 264 Cb 0.12 1.19 0.07 0.00 0.00 0.00 0.00 23.12 24.49 1urh s ALA 264 CO -0.01 -0.56 1.12 -0.46 0.00 0.00 0.00 175.76 175.86 1urh s TRP 265 N -4.11 2.27 0.00 0.00 -0.00 -1.26 -4.84 118.94 110.99 1urh s TRP 265 Ca 0.33 1.62 0.00 0.00 -0.00 0.00 0.00 56.10 58.05 1urh s TRP 265 Cb 0.07 -3.20 0.00 0.00 -0.00 0.00 0.00 33.47 30.34 1urh s TRP 265 CO 0.08 -2.14 0.00 -1.13 -0.00 0.00 0.00 176.95 173.76 1urh n SER 266 N -3.39 0.00 -3.25 5.86 3.41 -1.26 -4.91 113.62 110.08 1urh n SER 266 Ca 0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.68 1urh n SER 266 Cb 0.52 0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.71 1urh n SER 266 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1urh n GLU 267 N -1.94 0.67 0.00 4.33 0.00 -1.26 -4.84 120.64 117.60 1urh n GLU 267 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 57.16 55.66 1urh n GLU 267 Cb 0.00 2.02 0.00 0.00 0.00 0.00 0.00 31.44 33.46 1urh n GLU 267 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00