#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su1 s LYS 3 N 0.00 1.04 0.03 2.12 2.20 -1.26 -3.85 119.74 120.02 1su1 s LYS 3 Ca 0.00 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 55.37 1su1 s LYS 3 Cb 0.00 -1.74 -0.03 0.00 -1.51 0.00 0.00 37.83 34.55 1su1 s LYS 3 CO 0.00 -0.44 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.83 1su1 s LEU 4 N 1.78 2.42 -0.01 5.43 1.43 -0.72 -1.55 118.68 127.46 1su1 s LEU 4 Ca 0.02 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1su1 s LEU 4 Cb -0.15 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1su1 s LEU 4 CO -0.07 0.27 -0.14 -0.32 0.23 0.00 0.00 176.35 176.32 1su1 s MET 5 N -1.23 2.38 0.00 1.70 -2.45 -0.94 -0.23 119.30 118.53 1su1 s MET 5 Ca 0.13 -0.78 0.08 0.00 -1.25 0.00 0.00 55.69 53.87 1su1 s MET 5 Cb -0.10 -2.34 -0.02 0.00 1.25 0.00 0.00 34.83 33.61 1su1 s MET 5 CO 0.03 0.60 -0.25 -0.06 1.05 0.00 0.00 175.02 176.39 1su1 s PHE 6 N -0.83 2.22 -0.04 4.11 0.40 0.56 -0.73 117.98 123.66 1su1 s PHE 6 Ca 0.13 -0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 55.99 1su1 s PHE 6 Cb -0.11 -1.40 0.01 0.00 0.51 0.00 0.00 43.02 42.04 1su1 s PHE 6 CO 0.03 0.01 0.16 0.00 0.70 0.00 0.00 175.22 176.12 1su1 s ALA 7 N -0.65 -0.38 0.09 5.36 0.00 -0.43 -0.30 121.76 125.45 1su1 s ALA 7 Ca 0.10 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.17 1su1 s ALA 7 Cb -0.10 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.91 1su1 s ALA 7 CO -0.00 -0.12 0.36 0.45 0.00 0.00 0.00 175.76 176.45 1su1 s SER 8 N -0.42 -0.18 -1.00 0.00 0.15 -1.26 -1.82 113.70 109.16 1su1 s SER 8 Ca -0.05 -0.26 -0.13 0.00 0.70 0.00 0.00 55.95 56.21 1su1 s SER 8 Cb -0.03 0.43 -0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1su1 s SER 8 CO 0.01 -0.75 0.73 0.47 1.20 0.00 0.00 173.24 174.90 1su1 n ASP 9 N 0.11 -5.64 0.11 5.45 8.00 -0.78 -2.87 116.55 120.93 1su1 n ASP 9 Ca -0.17 -0.85 -0.20 0.00 0.71 0.00 0.00 54.79 54.29 1su1 n ASP 9 Cb 0.62 -3.29 -0.15 0.00 -0.02 0.00 0.00 41.12 38.29 1su1 n ASP 9 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1su1 h ILE 10 N -1.14 1.35 -6.46 0.53 2.04 -1.24 -3.33 117.51 109.26 1su1 h ILE 10 Ca -0.54 -2.87 -0.50 0.00 1.00 0.00 0.00 64.86 61.95 1su1 h ILE 10 Cb 1.31 2.95 -0.08 0.00 -0.74 0.00 0.00 36.82 40.26 1su1 h ILE 10 CO 0.42 0.85 -0.83 1.41 0.00 0.00 0.00 178.15 180.01 1su1 n HIS 11 N -3.60 -1.89 -0.74 1.37 8.25 -0.55 -2.39 115.22 115.68 1su1 n HIS 11 Ca -0.13 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1su1 n HIS 11 Cb 1.06 -3.68 0.00 0.00 1.12 0.00 0.00 29.99 28.49 1su1 n HIS 11 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1su1 n GLY 12 N -1.69 1.10 3.59 -1.41 0.00 -0.03 -3.93 105.19 102.82 1su1 n GLY 12 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1su1 n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1su1 s SER 13 N -2.95 5.94 0.14 1.61 0.15 -1.01 -0.59 113.70 116.98 1su1 s SER 13 Ca 0.00 0.88 -0.15 0.00 0.70 0.00 0.00 55.95 57.38 1su1 s SER 13 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1su1 s SER 13 CO 0.00 -1.75 1.66 0.25 1.20 0.00 0.00 173.24 174.60 1su1 h LEU 14 N 13.67 0.62 -1.00 3.45 5.85 -1.53 -2.04 115.31 134.33 1su1 h LEU 14 Ca -0.30 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1su1 h LEU 14 Cb 1.14 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1su1 h LEU 14 CO 1.10 0.66 0.36 -0.65 -0.34 0.00 0.00 178.44 179.56 1su1 h PRO 15 N 0.55 1.07 -0.55 5.25 0.11 -1.76 -0.10 132.00 136.56 1su1 h PRO 15 Ca 0.14 -0.15 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 1su1 h PRO 15 Cb 0.26 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1su1 h PRO 15 CO -0.00 0.82 0.08 0.00 -0.21 0.00 0.00 178.00 178.69 1su1 h ALA 16 N 1.33 0.73 0.09 -0.75 0.00 -1.83 -2.23 119.26 116.61 1su1 h ALA 16 Ca 0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1su1 h ALA 16 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1su1 h ALA 16 CO -0.03 0.48 -0.04 1.15 0.00 0.00 0.00 179.25 180.81 1su1 h THR 17 N 0.81 0.92 -0.25 0.00 2.02 -0.85 -1.05 112.91 114.51 1su1 h THR 17 Ca 0.17 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1su1 h THR 17 Cb 0.42 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1su1 h THR 17 CO 0.01 0.01 0.13 -0.33 0.37 0.00 0.00 175.52 175.71 1su1 h GLU 18 N -0.14 0.34 -0.06 6.66 5.08 -0.94 -0.25 114.58 125.26 1su1 h GLU 18 Ca -0.01 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.12 1su1 h GLU 18 Cb 0.11 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1su1 h GLU 18 CO 0.02 0.26 -0.79 -0.09 -1.00 0.00 0.00 179.01 177.41 1su1 h ARG 19 N 0.35 0.44 0.07 2.33 9.65 -1.13 -2.12 114.38 123.95 1su1 h ARG 19 Ca 0.09 -0.38 -0.00 0.00 -1.10 0.00 0.00 59.98 58.58 1su1 h ARG 19 Cb 0.03 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1su1 h ARG 19 CO -0.01 1.03 -0.03 0.28 2.80 0.00 0.00 179.97 184.03 1su1 h VAL 20 N 0.28 1.08 0.00 0.20 2.07 -0.14 -1.56 116.25 118.19 1su1 h VAL 20 Ca -0.04 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1su1 h VAL 20 Cb 1.38 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1su1 h VAL 20 CO 0.14 0.13 -0.05 -0.07 0.02 0.00 0.00 177.57 177.74 1su1 h LEU 21 N -0.32 0.00 0.06 2.57 3.38 -1.10 0.86 115.31 120.75 1su1 h LEU 21 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1su1 h LEU 21 Cb 0.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1su1 h LEU 21 CO 0.02 0.05 -0.53 -0.08 0.09 0.00 0.00 178.44 177.98 1su1 h GLU 22 N 0.00 0.26 -0.10 1.13 4.81 -1.10 -2.75 114.58 116.83 1su1 h GLU 22 Ca -0.00 -0.35 -0.08 0.00 -0.13 0.00 0.00 59.36 58.79 1su1 h GLU 22 Cb 0.16 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1su1 h GLU 22 CO 0.01 1.10 -0.32 -0.07 -0.73 0.00 0.00 179.01 179.00 1su1 h LEU 23 N -0.42 0.19 -0.14 1.64 3.38 -0.76 -2.21 115.31 116.98 1su1 h LEU 23 Ca -0.08 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1su1 h LEU 23 Cb 1.33 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1su1 h LEU 23 CO 0.10 0.51 0.02 0.15 0.09 0.00 0.00 178.44 179.31 1su1 h PHE 24 N 0.16 0.26 -0.40 1.13 3.57 -0.90 0.13 116.94 120.89 1su1 h PHE 24 Ca 0.02 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1su1 h PHE 24 Cb 0.66 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1su1 h PHE 24 CO 0.01 0.42 0.09 0.00 -2.23 0.00 0.00 178.31 176.61 1su1 h ALA 25 N 0.80 1.42 0.00 2.41 0.00 -1.30 -2.77 119.26 119.82 1su1 h ALA 25 Ca 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1su1 h ALA 25 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1su1 h ALA 25 CO 0.00 0.42 -0.66 1.96 0.00 0.00 0.00 179.25 180.98 1su1 h GLN 26 N 0.58 0.00 -0.10 0.00 4.20 -1.28 -3.33 115.11 115.18 1su1 h GLN 26 Ca 0.13 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 1su1 h GLN 26 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1su1 h GLN 26 CO -0.00 0.20 -0.63 0.66 -0.67 0.00 0.00 178.83 178.39 1su1 h SER 27 N 0.00 0.44 0.00 1.46 4.64 -0.68 -3.47 113.55 115.93 1su1 h SER 27 Ca -0.03 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1su1 h SER 27 Cb 1.23 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1su1 h SER 27 CO 0.03 0.96 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 1su1 n GLY 28 N 0.36 1.38 3.43 -0.77 0.00 -1.15 -5.02 105.19 103.42 1su1 n GLY 28 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1su1 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su1 n ALA 29 N -0.98 -1.54 0.07 4.61 0.00 -1.26 -4.92 120.51 116.50 1su1 n ALA 29 Ca 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.32 1su1 n ALA 29 Cb 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 19.45 17.55 1su1 n ALA 29 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1su1 h GLN 30 N 0.50 0.30 -4.93 0.00 5.75 -1.67 -3.48 115.11 111.58 1su1 h GLN 30 Ca -0.42 -0.52 -0.30 0.00 -0.15 0.00 0.00 58.65 57.26 1su1 h GLN 30 Cb 1.40 0.19 -0.15 0.00 1.07 0.00 0.00 27.48 29.99 1su1 h GLN 30 CO 0.49 1.19 -0.71 -1.58 -2.65 0.00 0.00 178.83 175.56 1su1 s TRP 31 N -2.61 1.11 -0.23 3.99 0.51 -1.26 -4.91 118.94 115.54 1su1 s TRP 31 Ca -0.10 -0.77 0.02 0.00 -2.12 0.00 0.00 56.10 53.13 1su1 s TRP 31 Cb 0.06 -0.59 0.05 0.00 -0.81 0.00 0.00 33.47 32.18 1su1 s TRP 31 CO 0.86 0.00 -0.13 -1.17 -0.51 0.00 0.00 176.95 176.00 1su1 s LEU 32 N -2.94 2.96 -0.29 2.99 2.96 -0.13 -2.20 118.68 122.02 1su1 s LEU 32 Ca 0.12 -1.14 -0.17 0.00 -0.22 0.00 0.00 54.13 52.72 1su1 s LEU 32 Cb 0.02 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 1su1 s LEU 32 CO -0.01 -0.14 0.49 -0.69 -1.32 0.00 0.00 176.35 174.68 1su1 s VAL 33 N 1.19 5.07 -0.30 1.68 1.01 0.09 -2.16 120.40 126.98 1su1 s VAL 33 Ca -0.04 0.65 -0.07 0.00 0.00 0.00 0.00 61.98 62.52 1su1 s VAL 33 Cb -0.18 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1su1 s VAL 33 CO -0.08 0.00 0.09 -0.63 0.00 0.00 0.00 175.10 174.49 1su1 s ILE 34 N 2.29 3.97 -1.59 2.22 1.01 -0.47 -1.31 121.20 127.33 1su1 s ILE 34 Ca 0.19 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1su1 s ILE 34 Cb -0.16 -3.08 0.07 0.00 0.01 0.00 0.00 42.46 39.31 1su1 s ILE 34 CO 0.11 0.03 0.89 0.18 0.00 0.00 0.00 174.94 176.15 1su1 n LEU 35 N 4.86 0.82 0.00 2.97 4.77 -0.76 -2.79 117.00 126.88 1su1 n LEU 35 Ca -0.14 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1su1 n LEU 35 Cb 0.47 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1su1 n LEU 35 CO 0.32 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1su1 n GLY 36 N 0.41 2.18 3.14 -0.72 0.00 -1.21 -4.14 105.19 104.84 1su1 n GLY 36 Ca 0.03 -2.04 -0.03 0.00 0.00 0.00 0.00 46.02 43.98 1su1 n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1su1 n ASP 37 N 0.00 -7.50 -0.10 1.61 9.92 -1.26 -1.86 116.55 117.36 1su1 n ASP 37 Ca 0.00 -0.17 -0.24 0.00 -0.53 0.00 0.00 54.79 53.85 1su1 n ASP 37 Cb 0.00 -4.95 -0.11 0.00 -0.64 0.00 0.00 41.12 35.42 1su1 n ASP 37 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1su1 n VAL 38 N -1.88 1.56 -0.08 2.53 0.31 -1.26 -0.99 118.33 118.51 1su1 n VAL 38 Ca -0.03 -0.23 -0.14 0.00 -0.01 0.00 0.00 64.34 63.93 1su1 n VAL 38 Cb 0.52 -1.93 -0.07 0.00 -0.91 0.00 0.00 33.84 31.45 1su1 n VAL 38 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1su1 n LEU 39 N -4.22 2.31 -4.69 7.52 4.77 -1.26 -0.85 117.00 120.57 1su1 n LEU 39 Ca -0.40 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.19 1su1 n LEU 39 Cb 0.80 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1su1 n LEU 39 CO 0.17 0.61 1.20 0.21 -1.33 0.00 0.00 177.39 178.26 1su1 s ASN 40 N -5.93 6.75 0.47 -1.43 3.84 -1.26 -2.08 114.94 115.31 1su1 s ASN 40 Ca -0.22 2.26 0.17 0.00 0.21 0.00 0.00 52.86 55.28 1su1 s ASN 40 Cb 0.07 -2.56 1.13 0.00 -0.55 0.00 0.00 41.25 39.34 1su1 s ASN 40 CO 0.34 -0.79 2.04 1.12 -2.79 0.00 0.00 177.10 177.02 1su1 h HIS 41 N 8.03 0.00 0.00 0.43 2.07 -1.95 -3.40 115.15 120.33 1su1 h HIS 41 Ca -0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.12 1su1 h HIS 41 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 1su1 h HIS 41 CO 0.76 0.14 0.00 0.41 -3.07 0.00 0.00 177.93 176.17 1su1 n GLY 42 N -1.08 1.49 0.33 6.13 0.00 -1.26 -4.77 105.19 106.03 1su1 n GLY 42 Ca -0.03 -1.10 0.20 0.00 0.00 0.00 0.00 46.02 45.10 1su1 n GLY 42 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1su1 h PRO 43 N 0.00 0.04 -0.09 1.61 0.11 -1.99 -1.88 132.00 129.79 1su1 h PRO 43 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1su1 h PRO 43 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1su1 h PRO 43 CO 0.00 0.02 0.00 0.54 -0.21 0.00 0.00 178.00 178.35 1su1 n ARG 44 N -5.37 1.41 -4.16 1.05 5.12 -1.26 -4.93 116.66 108.51 1su1 n ARG 44 Ca 0.28 -0.61 -0.10 0.00 -1.93 0.00 0.00 57.85 55.49 1su1 n ARG 44 Cb 0.93 -1.34 -0.10 0.00 -1.16 0.00 0.00 32.46 30.79 1su1 n ARG 44 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1su1 s ASN 45 N -1.57 0.27 0.77 0.55 4.22 -0.71 -5.15 114.94 113.33 1su1 s ASN 45 Ca 0.30 -1.25 -0.13 0.00 -2.14 0.00 0.00 52.86 49.65 1su1 s ASN 45 Cb 0.15 0.31 0.06 0.00 1.28 0.00 0.00 41.25 43.06 1su1 s ASN 45 CO 0.24 -0.75 1.15 0.00 -2.04 0.00 0.00 177.10 175.69 1su1 s ALA 46 N -4.07 2.07 0.31 3.54 0.00 -1.26 -4.75 121.76 117.60 1su1 s ALA 46 Ca 0.27 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.54 1su1 s ALA 46 Cb 0.07 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1su1 s ALA 46 CO 0.04 -1.93 1.37 -0.51 0.00 0.00 0.00 175.76 174.73 1su1 s LEU 47 N -5.61 4.40 0.85 0.00 1.02 -1.26 -4.95 118.68 113.13 1su1 s LEU 47 Ca 0.68 2.73 -0.13 0.00 0.02 0.00 0.00 54.13 57.43 1su1 s LEU 47 Cb -0.23 -3.64 0.11 0.00 0.02 0.00 0.00 46.19 42.45 1su1 s LEU 47 CO 0.50 -0.64 1.19 -2.84 0.02 0.00 0.00 176.35 174.58 1su1 s PRO 48 N -1.35 1.60 0.24 1.29 0.02 -1.26 -4.96 135.00 130.58 1su1 s PRO 48 Ca 0.53 0.07 -0.31 0.00 0.02 0.00 0.00 61.00 61.31 1su1 s PRO 48 Cb -0.41 -1.91 -0.13 0.00 0.02 0.00 0.00 34.50 32.06 1su1 s PRO 48 CO 0.51 -1.84 1.46 -1.91 -0.33 0.00 0.00 177.00 174.89 1su1 n GLU 49 N -3.48 2.17 -3.58 5.54 2.13 -1.26 -2.45 120.64 119.71 1su1 n GLU 49 Ca 0.09 0.77 -0.26 0.00 0.66 0.00 0.00 57.16 58.42 1su1 n GLU 49 Cb 0.60 -2.46 0.03 0.00 0.27 0.00 0.00 31.44 29.88 1su1 n GLU 49 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1su1 n GLY 50 N 2.29 -0.51 3.66 8.31 0.00 -1.26 -4.08 105.19 113.60 1su1 n GLY 50 Ca 0.12 0.17 -0.49 0.00 0.00 0.00 0.00 46.02 45.82 1su1 n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1su1 n TYR 51 N -4.54 2.25 -2.74 1.61 9.36 -1.03 -1.90 117.16 120.18 1su1 n TYR 51 Ca -0.00 0.04 -0.06 0.00 3.32 0.00 0.00 57.90 61.19 1su1 n TYR 51 Cb 0.55 -2.65 0.04 0.00 -0.63 0.00 0.00 39.34 36.65 1su1 n TYR 51 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1su1 n ALA 52 N 7.08 -1.97 -0.33 2.98 0.00 0.24 -4.90 120.51 123.60 1su1 n ALA 52 Ca 0.25 -1.06 0.02 0.00 0.00 0.00 0.00 53.44 52.64 1su1 n ALA 52 Cb 0.29 -1.74 0.09 0.00 0.00 0.00 0.00 19.45 18.09 1su1 n ALA 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1su1 h PRO 53 N 4.21 -0.02 0.00 0.00 0.11 -1.83 -0.37 132.00 134.10 1su1 h PRO 53 Ca -0.09 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1su1 h PRO 53 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1su1 h PRO 53 CO 0.15 -0.01 -0.09 0.00 -0.21 0.00 0.00 178.00 177.84 1su1 h ALA 54 N 1.67 1.81 0.01 -0.75 0.00 -1.96 -1.35 119.26 118.69 1su1 h ALA 54 Ca 0.40 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.96 1su1 h ALA 54 Cb 0.64 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1su1 h ALA 54 CO -0.94 0.11 -1.46 0.87 0.00 0.00 0.00 179.25 177.84 1su1 h LYS 55 N 0.00 0.02 -0.63 0.00 1.57 -1.51 -3.07 116.57 112.95 1su1 h LYS 55 Ca -0.00 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1su1 h LYS 55 Cb 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1su1 h LYS 55 CO 0.01 0.71 0.15 0.28 -0.57 0.00 0.00 179.45 180.03 1su1 h VAL 56 N 0.00 1.26 -0.52 0.50 2.07 -0.90 -2.08 116.25 116.58 1su1 h VAL 56 Ca -0.19 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.45 1su1 h VAL 56 Cb 1.93 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 1su1 h VAL 56 CO 0.10 0.35 0.24 0.58 0.02 0.00 0.00 177.57 178.86 1su1 h VAL 57 N 0.93 0.90 -0.60 2.57 2.07 -1.32 0.10 116.25 120.91 1su1 h VAL 57 Ca 0.20 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1su1 h VAL 57 Cb 0.37 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1su1 h VAL 57 CO 0.00 0.08 0.01 -0.33 0.02 0.00 0.00 177.57 177.36 1su1 h GLU 58 N 0.46 1.05 0.30 1.57 5.08 -1.40 -1.07 114.58 120.57 1su1 h GLU 58 Ca 0.24 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1su1 h GLU 58 Cb 0.20 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1su1 h GLU 58 CO -0.20 1.02 -0.14 0.00 -1.00 0.00 0.00 179.01 178.69 1su1 h ARG 59 N 0.96 -0.38 -0.78 2.33 2.47 -0.71 -3.23 114.38 115.04 1su1 h ARG 59 Ca 0.17 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1su1 h ARG 59 Cb 0.53 0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.90 1su1 h ARG 59 CO 0.03 -0.09 0.47 -0.07 0.56 0.00 0.00 179.97 180.87 1su1 h LEU 60 N -0.66 0.94 -0.34 3.04 3.38 -0.81 -2.32 115.31 118.54 1su1 h LEU 60 Ca -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1su1 h LEU 60 Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1su1 h LEU 60 CO 0.07 0.73 0.01 0.59 0.09 0.00 0.00 178.44 179.93 1su1 n ASN 61 N -4.48 0.13 0.21 -0.43 5.03 -0.41 -1.27 115.26 114.04 1su1 n ASN 61 Ca 0.08 0.55 0.11 0.00 0.87 0.00 0.00 54.58 56.18 1su1 n ASN 61 Cb 0.06 -0.57 0.17 0.00 -1.02 0.00 0.00 39.78 38.42 1su1 n ASN 61 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1su1 h GLU 62 N 0.00 0.00 0.00 3.52 5.08 -1.43 -3.22 114.58 118.52 1su1 h GLU 62 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1su1 h GLU 62 Cb 0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1su1 h GLU 62 CO 0.00 0.08 -0.35 1.33 -1.00 0.00 0.00 179.01 179.07 1su1 n VAL 63 N -3.12 1.80 -0.28 3.13 0.24 -0.40 -4.82 118.33 114.88 1su1 n VAL 63 Ca 0.03 -2.53 0.11 0.00 -2.04 0.00 0.00 64.34 59.92 1su1 n VAL 63 Cb 0.55 -0.11 0.36 0.00 -1.47 0.00 0.00 33.84 33.17 1su1 n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1su1 h ALA 64 N 0.56 1.78 0.00 2.33 0.00 -1.52 -0.33 119.26 122.08 1su1 h ALA 64 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1su1 h ALA 64 Cb 1.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1su1 h ALA 64 CO 0.01 -0.02 0.00 -2.39 0.00 0.00 0.00 179.25 176.85 1su1 n HIS 65 N -4.57 0.00 -0.14 0.00 1.44 -1.26 -2.12 115.22 108.57 1su1 n HIS 65 Ca 0.18 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.90 1su1 n HIS 65 Cb 0.45 -0.24 0.02 0.00 0.12 0.00 0.00 29.99 30.34 1su1 n HIS 65 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1su1 n LYS 66 N -1.24 2.79 -4.02 -1.40 5.02 -0.14 -5.03 118.16 114.14 1su1 n LYS 66 Ca 0.08 -1.66 -0.36 0.00 -2.02 0.00 0.00 58.31 54.35 1su1 n LYS 66 Cb 0.11 -1.07 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 1su1 n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1su1 s VAL 67 N -1.23 5.04 -0.12 -0.18 1.01 -0.90 -0.96 120.40 123.06 1su1 s VAL 67 Ca 0.05 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1su1 s VAL 67 Cb 0.04 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1su1 s VAL 67 CO 0.01 0.56 -0.19 -0.63 0.00 0.00 0.00 175.10 174.85 1su1 s ILE 68 N -0.55 1.82 0.08 2.22 1.01 -0.92 -4.87 121.20 119.99 1su1 s ILE 68 Ca 0.11 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1su1 s ILE 68 Cb -0.12 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1su1 s ILE 68 CO 0.02 0.50 0.21 0.00 0.00 0.00 0.00 174.94 175.67 1su1 s ALA 69 N 0.82 -0.30 0.18 9.38 0.00 -1.26 -1.36 121.76 129.23 1su1 s ALA 69 Ca -0.08 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 51.43 1su1 s ALA 69 Cb -0.16 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1su1 s ALA 69 CO -0.00 -0.50 -0.17 0.14 0.00 0.00 0.00 175.76 175.22 1su1 s VAL 70 N -3.69 1.81 -0.09 0.00 -7.23 -1.12 -4.52 120.40 105.56 1su1 s VAL 70 Ca 0.04 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 1su1 s VAL 70 Cb 0.04 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1su1 s VAL 70 CO -0.10 -0.40 1.49 -0.60 -0.31 0.00 0.00 175.10 175.18 1su1 s ARG 71 N -3.05 4.21 0.61 4.82 3.52 0.68 -3.30 118.95 126.43 1su1 s ARG 71 Ca 0.18 1.98 -0.08 0.00 -0.13 0.00 0.00 55.73 57.68 1su1 s ARG 71 Cb -0.04 -3.88 -0.00 0.00 -1.56 0.00 0.00 34.95 29.47 1su1 s ARG 71 CO 0.07 -0.78 0.96 0.20 -0.81 0.00 0.00 175.30 174.94 1su1 s GLY 72 N 2.74 1.60 0.59 8.12 0.00 -1.26 -4.44 107.32 114.67 1su1 s GLY 72 Ca 0.66 -0.48 0.37 0.00 0.00 0.00 0.00 44.72 45.27 1su1 s GLY 72 CO 0.24 -0.19 2.15 3.45 0.00 0.00 0.00 173.10 178.74 1su1 h ASN 73 N -0.26 0.00 0.13 1.64 -1.07 -1.95 -2.51 115.58 111.57 1su1 h ASN 73 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1su1 h ASN 73 Cb 1.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1su1 h ASN 73 CO 0.62 0.02 -0.37 0.00 0.07 0.00 0.00 177.43 177.77 1su1 s ASP 75 N -2.51 7.13 0.30 0.00 1.01 -0.94 -4.61 116.67 117.04 1su1 s ASP 75 Ca 0.21 1.52 0.03 0.00 0.71 0.00 0.00 52.55 55.03 1su1 s ASP 75 Cb 0.19 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1su1 s ASP 75 CO 0.55 0.01 0.16 -0.94 0.21 0.00 0.00 175.17 175.16 1su1 s SER 76 N -1.64 1.43 0.25 0.27 1.04 -1.26 -4.86 113.70 108.94 1su1 s SER 76 Ca 0.45 -1.54 -0.03 0.00 0.48 0.00 0.00 55.95 55.31 1su1 s SER 76 Cb -0.17 0.37 0.49 0.00 0.10 0.00 0.00 66.02 66.82 1su1 s SER 76 CO 0.22 -0.88 1.74 -0.33 0.98 0.00 0.00 173.24 174.97 1su1 h GLU 77 N 2.25 0.49 -0.54 4.02 5.08 -2.00 0.13 114.58 124.01 1su1 h GLU 77 Ca -0.34 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1su1 h GLU 77 Cb 1.25 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1su1 h GLU 77 CO 0.52 0.33 0.36 -0.24 -1.00 0.00 0.00 179.01 178.98 1su1 h VAL 78 N 0.51 1.10 -0.48 3.13 3.04 -1.99 -1.72 116.25 119.83 1su1 h VAL 78 Ca 0.44 -0.23 -0.03 0.00 -1.01 0.00 0.00 66.70 65.87 1su1 h VAL 78 Cb 0.65 0.37 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 1su1 h VAL 78 CO -0.39 0.12 0.19 0.44 -1.01 0.00 0.00 177.57 176.92 1su1 h ASP 79 N 0.67 0.67 -0.48 3.17 3.32 -1.14 -2.51 116.42 120.12 1su1 h ASP 79 Ca 0.21 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1su1 h ASP 79 Cb 0.02 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1su1 h ASP 79 CO -0.05 0.66 0.14 -0.61 -1.72 0.00 0.00 179.24 177.67 1su1 h GLN 80 N 0.64 0.82 0.00 3.56 5.75 -1.06 -0.37 115.11 124.44 1su1 h GLN 80 Ca 0.16 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1su1 h GLN 80 Cb 0.21 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 1su1 h GLN 80 CO -0.01 0.73 -0.02 1.98 -2.65 0.00 0.00 178.83 178.86 1su1 h MET 81 N 0.79 0.00 0.11 1.69 4.05 -0.91 -3.04 114.93 117.62 1su1 h MET 81 Ca 0.18 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.23 1su1 h MET 81 Cb 0.27 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 1su1 h MET 81 CO -0.00 0.02 -2.04 1.28 0.23 0.00 0.00 176.91 176.39 1su1 n LEU 82 N -4.19 2.66 -4.69 3.39 4.32 -0.72 -4.90 117.00 112.87 1su1 n LEU 82 Ca -0.03 0.17 -0.42 0.00 -0.02 0.00 0.00 56.01 55.71 1su1 n LEU 82 Cb 0.10 -1.09 -0.03 0.00 -1.62 0.00 0.00 43.42 40.79 1su1 n LEU 82 CO 0.31 0.85 0.81 -0.76 -1.22 0.00 0.00 177.39 177.38 1su1 s LEU 83 N -7.00 4.27 0.00 2.23 1.43 -0.23 -4.94 118.68 114.44 1su1 s LEU 83 Ca -0.24 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 1su1 s LEU 83 Cb 0.07 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1su1 s LEU 83 CO 0.74 -0.45 0.86 1.41 0.23 0.00 0.00 176.35 179.15 1su1 n HIS 84 N 4.84 0.00 -4.28 0.29 8.25 -1.26 -4.77 115.22 118.29 1su1 n HIS 84 Ca 0.09 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.36 1su1 n HIS 84 Cb 0.49 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.48 1su1 n HIS 84 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1su1 s PHE 85 N -1.96 1.57 -0.24 4.41 -0.71 -1.26 -4.91 117.98 114.88 1su1 s PHE 85 Ca 0.00 -0.53 -0.29 0.00 -1.04 0.00 0.00 56.93 55.07 1su1 s PHE 85 Cb 0.00 -0.80 -0.02 0.00 -1.21 0.00 0.00 43.02 40.99 1su1 s PHE 85 CO 0.00 0.22 1.56 -2.14 -1.34 0.00 0.00 175.22 173.52 1su1 s PRO 86 N -2.83 3.81 -0.00 1.99 0.02 -1.26 -4.90 135.00 131.83 1su1 s PRO 86 Ca 0.13 1.57 0.04 0.00 0.02 0.00 0.00 61.00 62.75 1su1 s PRO 86 Cb -0.05 -4.01 -0.05 0.00 0.02 0.00 0.00 34.50 30.42 1su1 s PRO 86 CO 0.04 -1.28 0.13 0.44 -0.33 0.00 0.00 177.00 176.01 1su1 n ILE 87 N 6.40 0.00 0.28 2.83 -5.35 -1.26 -4.03 119.36 118.23 1su1 n ILE 87 Ca 0.18 -0.29 0.13 0.00 -0.27 0.00 0.00 62.75 62.50 1su1 n ILE 87 Cb 0.46 0.78 0.61 0.00 -1.74 0.00 0.00 39.64 39.74 1su1 n ILE 87 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1su1 h THR 88 N 0.00 0.00 -3.00 7.28 1.35 -1.90 0.19 112.91 116.84 1su1 h THR 88 Ca 0.00 -0.14 -0.54 0.00 -0.55 0.00 0.00 66.41 65.18 1su1 h THR 88 Cb 0.12 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1su1 h THR 88 CO 0.00 0.00 0.75 0.00 -0.25 0.00 0.00 175.52 176.02 1su1 s ALA 89 N -3.51 3.54 0.28 6.62 0.00 -1.26 -4.61 121.76 122.82 1su1 s ALA 89 Ca 0.00 0.91 0.36 0.00 0.00 0.00 0.00 51.96 53.24 1su1 s ALA 89 Cb 0.08 -3.55 1.67 0.00 0.00 0.00 0.00 23.12 21.32 1su1 s ALA 89 CO 0.33 -0.74 2.10 -1.00 0.00 0.00 0.00 175.76 176.44 1su1 h PRO 90 N 7.37 0.00 -2.68 0.00 0.13 -1.88 -0.12 132.00 134.82 1su1 h PRO 90 Ca -0.39 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1su1 h PRO 90 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1su1 h PRO 90 CO 0.88 0.01 0.28 1.67 -0.23 0.00 0.00 178.00 180.61 1su1 s TRP 91 N -3.84 -0.50 -0.26 1.56 1.48 -1.26 -4.28 118.94 111.84 1su1 s TRP 91 Ca -0.01 0.40 -0.21 0.00 -1.06 0.00 0.00 56.10 55.22 1su1 s TRP 91 Cb 0.10 0.53 0.07 0.00 -1.16 0.00 0.00 33.47 33.02 1su1 s TRP 91 CO 0.51 -0.74 0.69 -1.14 -4.06 0.00 0.00 176.95 172.21 1su1 s GLN 92 N -3.24 0.77 0.08 3.25 0.74 -0.38 -5.01 119.66 115.87 1su1 s GLN 92 Ca 0.00 1.04 -0.06 0.00 0.05 0.00 0.00 55.36 56.40 1su1 s GLN 92 Cb -0.01 0.31 -0.05 0.00 1.10 0.00 0.00 33.01 34.36 1su1 s GLN 92 CO -0.09 -0.11 0.33 -0.65 -0.55 0.00 0.00 175.29 174.21 1su1 s GLN 93 N 0.77 3.61 -0.17 1.67 -0.21 -1.26 -1.05 119.66 123.01 1su1 s GLN 93 Ca -0.03 -0.08 0.01 0.00 0.02 0.00 0.00 55.36 55.27 1su1 s GLN 93 Cb -0.05 -2.96 0.03 0.00 1.00 0.00 0.00 33.01 31.03 1su1 s GLN 93 CO -0.06 0.55 -0.12 0.08 -2.12 0.00 0.00 175.29 173.63 1su1 s VAL 94 N -1.49 1.58 -0.18 1.09 1.01 0.01 -4.97 120.40 117.45 1su1 s VAL 94 Ca 0.35 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 1su1 s VAL 94 Cb -0.13 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1su1 s VAL 94 CO 0.21 0.30 0.82 -0.76 0.00 0.00 0.00 175.10 175.67 1su1 s LEU 95 N 1.45 4.16 0.39 3.92 1.02 -1.26 -1.13 118.68 127.23 1su1 s LEU 95 Ca 0.02 1.13 0.08 0.00 0.02 0.00 0.00 54.13 55.37 1su1 s LEU 95 Cb -0.15 -3.20 -0.05 0.00 0.02 0.00 0.00 46.19 42.81 1su1 s LEU 95 CO -0.09 -0.41 0.11 -0.76 0.02 0.00 0.00 176.35 175.23 1su1 s LEU 96 N 2.23 3.07 0.11 1.79 1.02 -0.12 -5.02 118.68 121.76 1su1 s LEU 96 Ca 0.37 -1.05 -0.32 0.00 0.02 0.00 0.00 54.13 53.15 1su1 s LEU 96 Cb -0.16 -1.39 -0.11 0.00 0.02 0.00 0.00 46.19 44.55 1su1 s LEU 96 CO 0.11 -0.43 1.58 -0.08 0.02 0.00 0.00 176.35 177.56 1su1 h GLU 97 N 1.58 -0.65 0.00 1.70 4.81 -2.04 -3.20 114.58 116.78 1su1 h GLU 97 Ca -0.43 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1su1 h GLU 97 Cb 1.25 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1su1 h GLU 97 CO 0.70 -0.43 -0.66 1.63 -0.73 0.00 0.00 179.01 179.51 1su1 n LYS 98 N -5.47 0.05 -3.86 1.92 5.02 -1.26 -5.02 118.16 109.53 1su1 n LYS 98 Ca -0.07 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.19 1su1 n LYS 98 Cb 0.39 -1.52 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 1su1 n LYS 98 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1su1 s GLN 99 N -3.03 1.30 0.05 1.97 0.00 -1.21 -5.02 119.66 113.72 1su1 s GLN 99 Ca 0.09 -0.82 0.01 0.00 -0.00 0.00 0.00 55.36 54.64 1su1 s GLN 99 Cb 0.17 0.37 -0.04 0.00 0.00 0.00 0.00 33.01 33.51 1su1 s GLN 99 CO 0.74 -0.61 0.12 1.03 0.00 0.00 0.00 175.29 176.57 1su1 s ARG 100 N -2.32 3.10 -0.19 9.60 0.52 -1.26 -0.95 118.95 127.45 1su1 s ARG 100 Ca 0.20 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 54.85 1su1 s ARG 100 Cb -0.02 -2.86 -0.00 0.00 0.52 0.00 0.00 34.95 32.58 1su1 s ARG 100 CO 0.05 0.61 -0.11 -0.51 0.02 0.00 0.00 175.30 175.35 1su1 s LEU 101 N -2.20 2.60 -0.46 2.53 1.02 -0.28 -1.07 118.68 120.81 1su1 s LEU 101 Ca 0.29 -0.47 -0.13 0.00 0.02 0.00 0.00 54.13 53.84 1su1 s LEU 101 Cb -0.12 -1.63 0.09 0.00 0.02 0.00 0.00 46.19 44.55 1su1 s LEU 101 CO 0.21 0.02 0.36 0.12 0.02 0.00 0.00 176.35 177.08 1su1 s PHE 102 N 1.21 3.29 -0.17 0.29 5.36 0.31 -0.81 117.98 127.46 1su1 s PHE 102 Ca 0.02 -1.26 -0.16 0.00 -0.96 0.00 0.00 56.93 54.57 1su1 s PHE 102 Cb -0.14 -3.22 -0.04 0.00 -0.34 0.00 0.00 43.02 39.28 1su1 s PHE 102 CO -0.05 -0.86 0.40 -0.51 -1.46 0.00 0.00 175.22 172.74 1su1 s LEU 103 N 1.54 4.21 0.06 6.12 1.43 -0.22 -0.82 118.68 131.00 1su1 s LEU 103 Ca 0.04 0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 53.50 1su1 s LEU 103 Cb -0.25 -2.54 0.06 0.00 0.03 0.00 0.00 46.19 43.49 1su1 s LEU 103 CO 0.04 -0.02 0.58 0.28 0.23 0.00 0.00 176.35 177.46 1su1 s THR 104 N 0.93 0.01 0.04 5.49 -1.32 -0.77 -1.25 115.64 118.78 1su1 s THR 104 Ca 0.21 -0.12 -0.23 0.00 -1.21 0.00 0.00 61.69 60.34 1su1 s THR 104 Cb -0.14 -0.99 -0.16 0.00 -1.51 0.00 0.00 72.50 69.69 1su1 s THR 104 CO 0.08 -0.06 1.51 -0.74 -2.21 0.00 0.00 174.62 173.19 1su1 h HIS 105 N 2.59 0.08 0.00 9.09 2.76 -1.74 -3.32 115.15 124.61 1su1 h HIS 105 Ca -0.31 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 1su1 h HIS 105 Cb 1.22 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.16 1su1 h HIS 105 CO 0.33 0.30 0.00 0.41 -1.30 0.00 0.00 177.93 177.66 1su1 n GLY 106 N -0.43 1.05 0.10 5.26 0.00 -1.22 0.12 105.19 110.07 1su1 n GLY 106 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1su1 n GLY 106 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1su1 h HIS 107 N 0.00 0.00 0.00 1.61 2.07 -1.92 -3.39 115.15 113.52 1su1 h HIS 107 Ca 0.00 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.16 1su1 h HIS 107 Cb 0.00 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 29.92 1su1 h HIS 107 CO 0.00 0.66 -2.35 1.28 -3.07 0.00 0.00 177.93 174.45 1su1 n LEU 108 N -3.07 2.83 -4.15 6.12 4.77 -1.26 -4.99 117.00 117.25 1su1 n LEU 108 Ca -0.06 -0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.66 1su1 n LEU 108 Cb 0.85 -0.81 -0.13 0.00 -2.33 0.00 0.00 43.42 40.99 1su1 n LEU 108 CO 0.43 0.85 -0.46 -0.36 -1.33 0.00 0.00 177.39 176.52 1su1 s PHE 109 N -2.47 1.19 -3.03 -1.77 0.08 -1.26 -4.87 117.98 105.84 1su1 s PHE 109 Ca -0.32 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.34 1su1 s PHE 109 Cb 0.09 -0.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.85 1su1 s PHE 109 CO 0.53 0.04 0.00 0.41 -0.10 0.00 0.00 175.22 176.10 1su1 n GLY 110 N 1.69 -0.87 0.48 4.36 0.00 -1.11 -3.38 105.19 106.37 1su1 n GLY 110 Ca -0.19 -0.98 0.30 0.00 0.00 0.00 0.00 46.02 45.15 1su1 n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1su1 h PRO 111 N 0.00 0.12 0.00 1.61 0.11 -2.00 -0.06 132.00 131.79 1su1 h PRO 111 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1su1 h PRO 111 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1su1 h PRO 111 CO 0.00 0.08 -0.74 0.39 -0.21 0.00 0.00 178.00 177.52 1su1 n GLU 112 N -4.34 0.29 -3.22 1.05 4.71 -1.26 -4.49 120.64 113.37 1su1 n GLU 112 Ca 0.24 0.06 -0.24 0.00 -0.01 0.00 0.00 57.16 57.21 1su1 n GLU 112 Cb 1.08 -1.66 -0.07 0.00 -1.01 0.00 0.00 31.44 29.78 1su1 n GLU 112 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1su1 n ASN 113 N -2.06 -0.27 -4.77 1.62 4.05 -0.07 -5.13 115.26 108.63 1su1 n ASN 113 Ca 0.03 -2.63 -0.39 0.00 0.45 0.00 0.00 54.58 52.04 1su1 n ASN 113 Cb 0.44 -0.44 -0.02 0.00 1.23 0.00 0.00 39.78 41.00 1su1 n ASN 113 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1su1 s LEU 114 N -0.73 4.25 0.39 1.20 1.43 -1.01 -2.77 118.68 121.44 1su1 s LEU 114 Ca 0.34 2.48 -0.05 0.00 -1.03 0.00 0.00 54.13 55.88 1su1 s LEU 114 Cb 0.13 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1su1 s LEU 114 CO -0.14 -0.68 0.67 -2.84 0.23 0.00 0.00 176.35 173.59 1su1 s PRO 115 N -2.16 3.60 -0.09 1.29 0.02 -1.26 -5.00 135.00 131.39 1su1 s PRO 115 Ca 0.55 0.09 -0.30 0.00 0.02 0.00 0.00 61.00 61.36 1su1 s PRO 115 Cb -0.34 -2.51 -0.03 0.00 0.02 0.00 0.00 34.50 31.64 1su1 s PRO 115 CO 0.44 0.01 1.30 0.00 -0.33 0.00 0.00 177.00 178.41 1su1 s ALA 116 N -2.42 3.59 0.24 -1.55 0.00 -1.26 -5.00 121.76 115.36 1su1 s ALA 116 Ca 0.46 0.62 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1su1 s ALA 116 Cb -0.10 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1su1 s ALA 116 CO 0.37 -1.00 0.17 -0.51 0.00 0.00 0.00 175.76 174.79 1su1 s LEU 117 N 2.91 1.34 0.32 0.00 1.43 -1.26 -5.17 118.68 118.25 1su1 s LEU 117 Ca 0.58 -1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 1su1 s LEU 117 Cb -0.25 0.43 -0.04 0.00 0.03 0.00 0.00 46.19 46.36 1su1 s LEU 117 CO 0.20 -0.91 0.53 0.20 0.23 0.00 0.00 176.35 176.61 1su1 s ASN 118 N -3.23 6.33 0.21 2.29 0.01 -1.26 -5.00 114.94 114.28 1su1 s ASN 118 Ca 0.40 0.49 -0.32 0.00 -0.71 0.00 0.00 52.86 52.71 1su1 s ASN 118 Cb 0.06 -2.05 -0.14 0.00 0.41 0.00 0.00 41.25 39.53 1su1 s ASN 118 CO 0.17 -0.25 1.48 1.67 -1.51 0.00 0.00 177.10 178.66 1su1 n GLN 119 N -1.52 2.08 -0.99 -0.60 7.27 -1.26 -1.06 117.38 121.31 1su1 n GLN 119 Ca -0.04 0.74 0.00 0.00 0.07 0.00 0.00 57.00 57.77 1su1 n GLN 119 Cb 0.55 -2.45 0.00 0.00 2.41 0.00 0.00 30.24 30.75 1su1 n GLN 119 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1su1 n ASN 120 N 2.67 -3.00 -4.85 1.69 4.13 0.66 -4.98 115.26 111.58 1su1 n ASN 120 Ca 0.14 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.11 1su1 n ASN 120 Cb 0.30 -0.97 0.11 0.00 -1.54 0.00 0.00 39.78 37.68 1su1 n ASN 120 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1su1 s ASP 121 N -2.13 4.09 -0.11 6.41 1.01 -0.22 -4.77 116.67 120.94 1su1 s ASP 121 Ca 0.00 0.86 0.02 0.00 0.71 0.00 0.00 52.55 54.14 1su1 s ASP 121 Cb 0.00 -1.38 0.01 0.00 1.01 0.00 0.00 42.92 42.56 1su1 s ASP 121 CO 0.00 -2.18 -0.18 -0.69 0.21 0.00 0.00 175.17 172.34 1su1 s VAL 122 N -3.46 1.68 -0.35 -1.27 1.01 -0.23 -1.81 120.40 115.96 1su1 s VAL 122 Ca 0.63 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1su1 s VAL 122 Cb -0.13 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1su1 s VAL 122 CO 0.51 0.48 0.71 -0.22 0.00 0.00 0.00 175.10 176.57 1su1 s LEU 123 N 0.89 4.18 -0.22 3.92 2.96 0.11 -0.53 118.68 129.98 1su1 s LEU 123 Ca -0.08 0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1su1 s LEU 123 Cb -0.15 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 1su1 s LEU 123 CO -0.01 -0.64 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.67 1su1 s VAL 124 N 2.87 3.55 0.24 1.68 1.01 -0.00 -0.68 120.40 129.07 1su1 s VAL 124 Ca 0.28 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1su1 s VAL 124 Cb -0.14 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1su1 s VAL 124 CO 0.15 0.41 0.45 -0.72 0.00 0.00 0.00 175.10 175.39 1su1 s TYR 125 N 1.46 0.41 0.00 5.22 1.13 -0.68 -1.84 117.35 123.04 1su1 s TYR 125 Ca 0.05 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 54.95 1su1 s TYR 125 Cb -0.14 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.85 1su1 s TYR 125 CO -0.02 -0.96 0.00 0.41 -2.51 0.00 0.00 175.55 172.47 1su1 n GLY 126 N -0.37 3.53 4.66 5.49 0.00 0.12 -4.07 105.19 114.54 1su1 n GLY 126 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1su1 n GLY 126 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1su1 n HIS 127 N 0.00 0.00 0.32 1.61 -0.00 -1.13 -4.50 115.22 111.52 1su1 n HIS 127 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 1su1 n HIS 127 Cb 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 29.99 30.18 1su1 n HIS 127 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1su1 h THR 128 N 0.00 0.00 -0.42 3.57 1.35 -1.94 -3.47 112.91 112.00 1su1 h THR 128 Ca 0.00 -0.85 -0.18 0.00 -0.55 0.00 0.00 66.41 64.83 1su1 h THR 128 Cb 0.00 1.73 -0.07 0.00 -1.73 0.00 0.00 68.15 68.07 1su1 h THR 128 CO 0.00 0.00 -0.16 1.41 -0.25 0.00 0.00 175.52 176.52 1su1 n HIS 129 N -2.77 0.00 -4.55 4.73 8.25 -1.26 -4.85 115.22 114.77 1su1 n HIS 129 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 1su1 n HIS 129 Cb 0.50 -2.00 -0.14 0.00 1.12 0.00 0.00 29.99 29.48 1su1 n HIS 129 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1su1 s LEU 130 N -2.00 2.85 0.37 2.41 1.43 -1.26 -3.00 118.68 119.48 1su1 s LEU 130 Ca 0.00 -0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 52.53 1su1 s LEU 130 Cb 0.00 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.46 1su1 s LEU 130 CO 0.00 0.14 1.22 -2.84 0.23 0.00 0.00 176.35 175.10 1su1 s PRO 131 N 0.53 4.20 -0.15 1.29 0.02 -1.26 -4.26 135.00 135.37 1su1 s PRO 131 Ca -0.07 2.00 -0.11 0.00 0.02 0.00 0.00 61.00 62.84 1su1 s PRO 131 Cb -0.15 -2.87 0.05 0.00 0.02 0.00 0.00 34.50 31.54 1su1 s PRO 131 CO 0.03 -0.24 0.39 0.08 -0.33 0.00 0.00 177.00 176.93 1su1 s VAL 132 N -1.27 -0.01 -0.46 3.83 1.01 -0.10 -4.92 120.40 118.46 1su1 s VAL 132 Ca 0.53 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.62 1su1 s VAL 132 Cb -0.35 -0.56 0.18 0.00 0.00 0.00 0.00 36.38 35.66 1su1 s VAL 132 CO 0.45 0.02 0.61 0.00 0.00 0.00 0.00 175.10 176.18 1su1 s ALA 133 N 0.75 -1.46 0.28 5.51 0.00 -1.24 -0.73 121.76 124.86 1su1 s ALA 133 Ca -0.04 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 1su1 s ALA 133 Cb -0.05 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.60 1su1 s ALA 133 CO -0.05 -2.19 0.64 -1.83 0.00 0.00 0.00 175.76 172.34 1su1 s GLU 134 N 1.03 1.77 -0.17 0.00 -1.05 -0.91 -4.13 118.70 115.23 1su1 s GLU 134 Ca 0.26 -1.14 -0.15 0.00 -0.15 0.00 0.00 54.97 53.79 1su1 s GLU 134 Cb -0.02 0.56 -0.04 0.00 -0.44 0.00 0.00 34.13 34.19 1su1 s GLU 134 CO -0.07 -0.79 0.33 -1.14 0.95 0.00 0.00 175.26 174.53 1su1 s GLN 135 N -3.75 4.25 -0.37 -4.83 0.74 -1.26 -0.30 119.66 114.13 1su1 s GLN 135 Ca 0.16 0.14 0.02 0.00 0.05 0.00 0.00 55.36 55.72 1su1 s GLN 135 Cb -0.04 -3.45 0.11 0.00 1.10 0.00 0.00 33.01 30.73 1su1 s GLN 135 CO 0.09 0.17 0.13 0.50 -0.55 0.00 0.00 175.29 175.63 1su1 s ARG 136 N 0.66 1.26 6.20 1.67 6.06 0.80 -4.92 118.95 130.68 1su1 s ARG 136 Ca 0.18 -1.74 0.00 0.00 -2.50 0.00 0.00 55.73 51.66 1su1 s ARG 136 Cb -0.13 -2.66 0.00 0.00 0.06 0.00 0.00 34.95 32.22 1su1 s ARG 136 CO 0.05 -1.02 0.00 0.41 -2.50 0.00 0.00 175.30 172.24 1su1 n GLY 137 N 4.16 0.82 0.05 8.12 0.00 -1.26 -3.11 105.19 113.97 1su1 n GLY 137 Ca 0.03 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1su1 n GLY 137 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1su1 n GLU 138 N 12.33 0.24 -4.07 1.61 0.00 -1.26 -4.93 120.64 124.56 1su1 n GLU 138 Ca 0.00 0.07 -0.27 0.00 0.00 0.00 0.00 57.16 56.96 1su1 n GLU 138 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 31.44 29.75 1su1 n GLU 138 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 1su1 s ILE 139 N -3.14 1.70 0.07 3.84 -4.36 -1.18 -0.24 121.20 117.88 1su1 s ILE 139 Ca 0.07 -1.61 0.04 0.00 -0.26 0.00 0.00 60.65 58.89 1su1 s ILE 139 Cb 0.14 -2.31 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 1su1 s ILE 139 CO 0.71 0.00 -0.02 -0.36 0.24 0.00 0.00 174.94 175.51 1su1 s PHE 140 N -2.75 2.97 -0.10 1.37 0.08 -0.75 -0.14 117.98 118.66 1su1 s PHE 140 Ca 0.30 -0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.36 1su1 s PHE 140 Cb -0.01 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 1su1 s PHE 140 CO 0.18 0.46 -0.18 -1.01 -0.10 0.00 0.00 175.22 174.57 1su1 s HIS 141 N -1.23 2.66 -0.04 0.36 3.76 0.59 -0.71 115.29 120.68 1su1 s HIS 141 Ca 0.23 -0.68 -0.01 0.00 -0.15 0.00 0.00 55.06 54.45 1su1 s HIS 141 Cb -0.12 -1.73 0.03 0.00 1.11 0.00 0.00 32.58 31.87 1su1 s HIS 141 CO 0.15 -0.20 0.02 0.12 -0.85 0.00 0.00 174.74 173.98 1su1 s PHE 142 N 0.08 0.34 -0.13 1.40 5.36 0.15 -2.14 117.98 123.03 1su1 s PHE 142 Ca -0.08 0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 55.88 1su1 s PHE 142 Cb -0.15 -0.53 0.05 0.00 -0.34 0.00 0.00 43.02 42.05 1su1 s PHE 142 CO 0.05 -0.20 0.05 1.21 -1.46 0.00 0.00 175.22 174.87 1su1 s ASN 143 N 1.57 2.16 0.00 6.13 3.84 0.09 -1.69 114.94 127.03 1su1 s ASN 143 Ca -0.02 -0.45 0.11 0.00 0.21 0.00 0.00 52.86 52.71 1su1 s ASN 143 Cb -0.13 -0.38 0.64 0.00 -0.55 0.00 0.00 41.25 40.83 1su1 s ASN 143 CO -0.03 -0.28 1.16 -0.81 -2.79 0.00 0.00 177.10 174.35 1su1 n PRO 144 N 5.18 0.67 0.00 0.43 -0.04 -1.26 -0.92 135.00 139.06 1su1 n PRO 144 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1su1 n PRO 144 Cb 0.49 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1su1 n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1su1 n GLY 145 N 0.25 -1.15 3.67 0.55 0.00 -1.26 -3.29 105.19 103.96 1su1 n GLY 145 Ca 0.08 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 1su1 n GLY 145 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1su1 s SER 146 N -4.00 5.02 0.00 1.61 0.15 -1.26 -4.26 113.70 110.96 1su1 s SER 146 Ca 0.00 -0.08 0.26 0.00 0.70 0.00 0.00 55.95 56.83 1su1 s SER 146 Cb 0.00 -1.26 0.70 0.00 -1.71 0.00 0.00 66.02 63.75 1su1 s SER 146 CO 0.00 0.25 1.53 1.33 1.20 0.00 0.00 173.24 177.55 1su1 n VAL 147 N 1.16 0.00 0.00 4.45 0.24 -1.14 -0.53 118.33 122.51 1su1 n VAL 147 Ca -0.13 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1su1 n VAL 147 Cb 0.52 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 1su1 n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1su1 n SER 148 N -0.88 2.37 -3.17 -1.34 7.64 -1.25 -4.74 113.62 112.24 1su1 n SER 148 Ca 0.10 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.73 1su1 n SER 148 Cb 0.34 0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.53 1su1 n SER 148 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1su1 n ILE 149 N -1.97 1.75 -1.54 0.44 5.41 -1.26 -4.79 119.36 117.41 1su1 n ILE 149 Ca 0.00 -5.07 -0.40 0.00 1.00 0.00 0.00 62.75 58.28 1su1 n ILE 149 Cb 0.29 -1.51 0.02 0.00 -0.71 0.00 0.00 39.64 37.73 1su1 n ILE 149 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1su1 n PRO 150 N 0.43 0.86 -4.39 0.38 -0.02 -1.26 -4.85 135.00 126.15 1su1 n PRO 150 Ca 0.28 0.32 -0.19 0.00 -2.02 0.00 0.00 63.50 61.89 1su1 n PRO 150 Cb 0.46 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 1su1 n PRO 150 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1su1 s LYS 151 N -2.05 1.56 -1.80 -0.52 1.02 -1.16 -4.84 119.74 111.95 1su1 s LYS 151 Ca 0.67 -1.86 0.00 0.00 0.02 0.00 0.00 55.97 54.79 1su1 s LYS 151 Cb -0.52 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.27 1su1 s LYS 151 CO 0.55 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.12 1su1 n GLY 152 N -0.59 1.63 1.89 -3.33 0.00 -1.26 -2.16 105.19 101.36 1su1 n GLY 152 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1su1 n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1su1 n GLY 153 N -0.25 0.75 3.86 -0.02 0.00 -1.26 -5.05 105.19 103.23 1su1 n GLY 153 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1su1 n GLY 153 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1su1 s ASN 154 N -2.49 6.62 0.64 1.61 0.01 -0.92 -5.07 114.94 115.34 1su1 s ASN 154 Ca 0.00 1.19 -0.12 0.00 -0.71 0.00 0.00 52.86 53.22 1su1 s ASN 154 Cb 0.00 -2.34 -0.02 0.00 0.41 0.00 0.00 41.25 39.30 1su1 s ASN 154 CO 0.00 -0.32 1.04 -2.84 -1.51 0.00 0.00 177.10 173.48 1su1 s PRO 155 N -3.48 3.26 0.33 -0.60 0.02 -1.26 -4.41 135.00 128.86 1su1 s PRO 155 Ca 0.52 0.95 -0.28 0.00 0.02 0.00 0.00 61.00 62.21 1su1 s PRO 155 Cb -0.10 -2.03 -0.12 0.00 0.02 0.00 0.00 34.50 32.26 1su1 s PRO 155 CO 0.25 -0.84 1.33 0.00 -0.33 0.00 0.00 177.00 177.41 1su1 n ALA 156 N -2.70 1.43 -2.76 -1.55 0.00 -1.26 -4.86 120.51 108.81 1su1 n ALA 156 Ca 0.07 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 1su1 n ALA 156 Cb 0.54 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 1su1 n ALA 156 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1su1 s SER 157 N -0.21 0.02 0.25 0.00 1.04 0.31 -1.17 113.70 113.93 1su1 s SER 157 Ca 0.57 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 56.13 1su1 s SER 157 Cb -0.56 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 1su1 s SER 157 CO 0.61 -0.92 0.13 -0.72 0.98 0.00 0.00 173.24 173.32 1su1 s TYR 158 N -3.97 1.43 0.29 5.02 1.13 0.20 -3.34 117.35 118.10 1su1 s TYR 158 Ca 0.18 -1.31 0.10 0.00 -1.41 0.00 0.00 57.07 54.63 1su1 s TYR 158 Cb 0.03 -0.77 -0.05 0.00 -1.10 0.00 0.00 41.96 40.07 1su1 s TYR 158 CO 0.01 -0.50 -0.02 0.20 -2.51 0.00 0.00 175.55 172.73 1su1 s GLY 159 N -3.28 1.79 -0.17 5.49 0.00 0.59 -0.08 107.32 111.66 1su1 s GLY 159 Ca 0.38 -1.76 -0.14 0.00 0.00 0.00 0.00 44.72 43.20 1su1 s GLY 159 CO 0.14 -1.80 0.45 -0.29 0.00 0.00 0.00 173.10 171.60 1su1 s MET 160 N -3.67 0.49 -0.25 2.90 0.00 -0.44 -0.32 119.30 118.01 1su1 s MET 160 Ca 0.32 0.70 -0.03 0.00 0.00 0.00 0.00 55.69 56.69 1su1 s MET 160 Cb -0.05 0.16 0.02 0.00 0.00 0.00 0.00 34.83 34.96 1su1 s MET 160 CO 0.19 -0.10 -0.04 -1.17 0.00 0.00 0.00 175.02 173.90 1su1 s LEU 161 N 0.66 3.24 -0.17 4.11 2.96 0.68 -1.26 118.68 128.91 1su1 s LEU 161 Ca -0.03 -0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 53.03 1su1 s LEU 161 Cb -0.05 -1.70 0.07 0.00 0.50 0.00 0.00 46.19 45.01 1su1 s LEU 161 CO -0.04 -0.12 0.15 -0.62 -1.32 0.00 0.00 176.35 174.39 1su1 s ASP 162 N 1.36 1.71 -1.14 3.68 2.15 -0.37 -1.75 116.67 122.32 1su1 s ASP 162 Ca 0.01 -0.32 -0.05 0.00 0.43 0.00 0.00 52.55 52.62 1su1 s ASP 162 Cb -0.16 0.08 -0.03 0.00 -0.30 0.00 0.00 42.92 42.50 1su1 s ASP 162 CO -0.03 -0.32 0.90 -3.20 -0.17 0.00 0.00 175.17 172.34 1su1 n ASN 163 N 5.30 -4.49 0.00 -0.34 5.15 -1.25 -2.26 115.26 117.37 1su1 n ASN 163 Ca -0.06 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.18 1su1 n ASN 163 Cb 0.49 -4.82 0.00 0.00 -0.53 0.00 0.00 39.78 34.93 1su1 n ASN 163 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1su1 n ASP 164 N -3.11 -3.46 -4.30 1.20 8.00 -1.26 -4.98 116.55 108.64 1su1 n ASP 164 Ca -0.16 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.01 1su1 n ASP 164 Cb 0.64 -2.06 -0.15 0.00 -0.02 0.00 0.00 41.12 39.53 1su1 n ASP 164 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1su1 s VAL 165 N -1.63 2.65 -0.25 2.53 1.01 -0.96 0.14 120.40 123.89 1su1 s VAL 165 Ca 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1su1 s VAL 165 Cb 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1su1 s VAL 165 CO 0.00 0.54 0.14 -0.76 0.00 0.00 0.00 175.10 175.02 1su1 s LEU 166 N 0.40 3.94 -0.02 3.92 1.43 0.13 -1.23 118.68 127.26 1su1 s LEU 166 Ca -0.13 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1su1 s LEU 166 Cb -0.17 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 1su1 s LEU 166 CO 0.06 0.03 -0.10 -0.44 0.23 0.00 0.00 176.35 176.13 1su1 s SER 167 N 1.27 1.29 -0.25 2.29 0.01 -0.39 -0.99 113.70 116.93 1su1 s SER 167 Ca 0.07 -0.20 -0.13 0.00 1.31 0.00 0.00 55.95 57.00 1su1 s SER 167 Cb -0.14 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.77 1su1 s SER 167 CO 0.06 0.10 0.26 -0.69 0.41 0.00 0.00 173.24 173.37 1su1 s VAL 168 N 0.02 5.28 -0.01 3.43 1.01 0.76 -1.33 120.40 129.56 1su1 s VAL 168 Ca -0.00 0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.43 1su1 s VAL 168 Cb -0.07 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1su1 s VAL 168 CO 0.00 0.27 -0.26 -0.63 0.00 0.00 0.00 175.10 174.48 1su1 s ILE 169 N 1.45 2.08 0.15 2.22 1.01 0.89 -1.15 121.20 127.86 1su1 s ILE 169 Ca 0.11 -1.16 -0.31 0.00 0.00 0.00 0.00 60.65 59.29 1su1 s ILE 169 Cb -0.15 -1.73 -0.09 0.00 0.01 0.00 0.00 42.46 40.49 1su1 s ILE 169 CO 0.08 0.54 1.50 0.00 0.00 0.00 0.00 174.94 177.05 1su1 s ALA 170 N -0.65 3.71 0.22 9.38 0.00 -0.65 -0.63 121.76 133.13 1su1 s ALA 170 Ca 0.10 1.29 -0.08 0.00 0.00 0.00 0.00 51.96 53.27 1su1 s ALA 170 Cb -0.10 -3.59 0.24 0.00 0.00 0.00 0.00 23.12 19.67 1su1 s ALA 170 CO -0.00 -0.72 1.85 1.25 0.00 0.00 0.00 175.76 178.13 1su1 h LEU 171 N 6.68 0.75 0.00 0.00 6.46 -1.47 0.11 115.31 127.85 1su1 h LEU 171 Ca -0.43 0.01 -0.18 0.00 -0.12 0.00 0.00 57.88 57.16 1su1 h LEU 171 Cb 1.21 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.96 1su1 h LEU 171 CO 0.89 0.51 -1.25 -3.20 -0.62 0.00 0.00 178.44 174.77 1su1 n ASN 172 N -4.65 1.87 -0.02 1.25 5.15 -1.26 -4.56 115.26 113.04 1su1 n ASN 172 Ca 0.09 0.46 -0.11 0.00 -0.60 0.00 0.00 54.58 54.42 1su1 n ASN 172 Cb 0.12 -0.88 -0.06 0.00 -0.53 0.00 0.00 39.78 38.43 1su1 n ASN 172 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1su1 h ASP 173 N -1.00 0.15 -0.40 1.20 3.58 -1.93 -3.46 116.42 114.55 1su1 h ASP 173 Ca -0.27 -0.11 -0.09 0.00 0.42 0.00 0.00 57.03 56.98 1su1 h ASP 173 Cb 1.09 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 1su1 h ASP 173 CO -0.16 0.22 -0.10 0.00 -2.88 0.00 0.00 179.24 176.32 1su1 n GLN 174 N -4.94 -0.33 -3.50 0.28 6.02 0.37 -4.97 117.38 110.32 1su1 n GLN 174 Ca -0.05 0.47 -0.33 0.00 -0.01 0.00 0.00 57.00 57.07 1su1 n GLN 174 Cb 0.09 -4.18 -0.05 0.00 1.02 0.00 0.00 30.24 27.11 1su1 n GLN 174 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1su1 s SER 175 N -2.89 6.65 -0.42 1.08 1.04 -1.26 -4.70 113.70 113.20 1su1 s SER 175 Ca 0.00 0.86 -0.29 0.00 0.48 0.00 0.00 55.95 57.00 1su1 s SER 175 Cb 0.00 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.94 1su1 s SER 175 CO 0.00 0.06 1.24 -0.63 0.98 0.00 0.00 173.24 174.88 1su1 s ILE 176 N -1.59 4.13 0.01 -1.02 1.01 -1.26 -1.64 121.20 120.83 1su1 s ILE 176 Ca 0.40 1.18 -0.19 0.00 0.00 0.00 0.00 60.65 62.04 1su1 s ILE 176 Cb -0.13 -4.42 -0.26 0.00 0.01 0.00 0.00 42.46 37.66 1su1 s ILE 176 CO 0.20 -0.83 1.06 0.40 0.00 0.00 0.00 174.94 175.78 1su1 h ILE 177 N 6.23 1.41 -2.58 2.92 2.04 -1.50 -3.48 117.51 122.55 1su1 h ILE 177 Ca -0.24 -2.25 -0.04 0.00 1.00 0.00 0.00 64.86 63.32 1su1 h ILE 177 Cb 1.08 2.73 -0.15 0.00 -0.74 0.00 0.00 36.82 39.73 1su1 h ILE 177 CO 1.10 0.66 0.18 0.00 0.00 0.00 0.00 178.15 180.09 1su1 s ALA 178 N -3.01 -1.63 -0.05 1.87 0.00 -1.21 -4.99 121.76 112.73 1su1 s ALA 178 Ca -0.12 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 1su1 s ALA 178 Cb 0.04 0.48 0.11 0.00 0.00 0.00 0.00 23.12 23.74 1su1 s ALA 178 CO 0.85 -0.58 0.92 1.14 0.00 0.00 0.00 175.76 178.09 1su1 s GLN 179 N -2.59 0.75 -0.20 0.00 -2.07 -1.26 -0.17 119.66 114.12 1su1 s GLN 179 Ca -0.04 -0.19 -0.21 0.00 -1.82 0.00 0.00 55.36 53.10 1su1 s GLN 179 Cb -0.01 0.35 0.06 0.00 -1.09 0.00 0.00 33.01 32.32 1su1 s GLN 179 CO -0.03 -0.31 0.60 0.54 -1.32 0.00 0.00 175.29 174.77 1su1 s VAL 180 N -2.63 0.00 0.02 3.63 0.11 -0.16 -4.80 120.40 116.57 1su1 s VAL 180 Ca 0.03 -0.02 -0.22 0.00 -2.93 0.00 0.00 61.98 58.85 1su1 s VAL 180 Cb -0.01 -0.84 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 1su1 s VAL 180 CO -0.06 -0.01 0.64 0.00 -3.33 0.00 0.00 175.10 172.34 1su1 s ALA 181 N 0.14 3.47 -1.50 1.54 0.00 -1.26 -0.69 121.76 123.46 1su1 s ALA 181 Ca -0.01 0.11 0.13 0.00 0.00 0.00 0.00 51.96 52.19 1su1 s ALA 181 Cb -0.04 -2.80 0.20 0.00 0.00 0.00 0.00 23.12 20.47 1su1 s ALA 181 CO 0.02 0.17 1.06 0.44 0.00 0.00 0.00 175.76 177.44 1su1 n ILE 182 N 2.60 0.34 0.00 0.00 -5.35 0.12 -4.97 119.36 112.11 1su1 n ILE 182 Ca -0.06 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 1su1 n ILE 182 Cb 0.51 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 1su1 n ILE 182 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38