#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su9 s ASP 40 N 0.00 6.86 0.12 6.43 1.01 -1.26 -0.46 116.67 129.37 1su9 s ASP 40 Ca 0.00 2.25 -0.31 0.00 0.71 0.00 0.00 52.55 55.20 1su9 s ASP 40 Cb 0.00 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 1su9 s ASP 40 CO 0.00 -0.64 1.44 0.00 0.21 0.00 0.00 175.17 176.17 1su9 s ALA 41 N 1.32 3.64 0.26 5.23 0.00 -0.76 -4.83 121.76 126.62 1su9 s ALA 41 Ca 0.64 1.18 -0.31 0.00 0.00 0.00 0.00 51.96 53.47 1su9 s ALA 41 Cb -0.35 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.09 1su9 s ALA 41 CO 0.30 -0.66 1.63 -2.30 0.00 0.00 0.00 175.76 174.73 1su9 n PRO 42 N 4.00 2.69 -1.28 0.00 -0.02 -1.26 -4.95 135.00 134.18 1su9 n PRO 42 Ca 0.12 0.96 -0.31 0.00 -2.02 0.00 0.00 63.50 62.25 1su9 n PRO 42 Cb 0.41 -2.76 0.09 0.00 -0.02 0.00 0.00 33.50 31.22 1su9 n PRO 42 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1su9 s ASN 43 N 0.73 4.41 -0.02 2.55 2.47 -1.26 -5.00 114.94 118.83 1su9 s ASN 43 Ca 0.68 1.91 -0.28 0.00 0.42 0.00 0.00 52.86 55.59 1su9 s ASN 43 Cb -0.51 -2.53 0.07 0.00 -1.45 0.00 0.00 41.25 36.82 1su9 s ASN 43 CO 0.43 -2.10 0.63 0.72 -3.72 0.00 0.00 177.10 173.06 1su9 s PHE 44 N -2.75 -0.60 -0.17 0.43 -0.12 -1.26 -5.00 117.98 108.51 1su9 s PHE 44 Ca 0.63 0.93 -0.01 0.00 -0.05 0.00 0.00 56.93 58.43 1su9 s PHE 44 Cb -0.19 0.40 0.05 0.00 -0.63 0.00 0.00 43.02 42.65 1su9 s PHE 44 CO 0.54 -0.63 -0.03 0.08 -0.05 0.00 0.00 175.22 175.13 1su9 s VAL 45 N -1.60 0.95 0.16 -2.49 1.01 -1.26 -2.01 120.40 115.16 1su9 s VAL 45 Ca -0.09 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1su9 s VAL 45 Cb -0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1su9 s VAL 45 CO 0.06 0.03 0.12 -0.76 0.00 0.00 0.00 175.10 174.55 1su9 s LEU 46 N 1.69 1.45 -0.15 3.92 1.43 -0.22 -4.96 118.68 121.84 1su9 s LEU 46 Ca -0.00 -1.22 -0.07 0.00 -1.03 0.00 0.00 54.13 51.82 1su9 s LEU 46 Cb -0.16 0.47 -0.04 0.00 0.03 0.00 0.00 46.19 46.49 1su9 s LEU 46 CO -0.07 -0.79 0.08 -1.61 0.23 0.00 0.00 176.35 174.18 1su9 s GLU 47 N -4.07 3.68 1.03 1.70 2.02 -1.26 0.08 118.70 121.88 1su9 s GLU 47 Ca 0.28 -0.28 -0.17 0.00 0.02 0.00 0.00 54.97 54.82 1su9 s GLU 47 Cb 0.07 -3.16 0.22 0.00 0.10 0.00 0.00 34.13 31.36 1su9 s GLU 47 CO 0.05 0.49 1.25 0.16 0.02 0.00 0.00 175.26 177.23 1su9 s ASP 48 N -0.24 2.46 0.00 -0.19 1.47 -0.50 -1.91 116.67 117.76 1su9 s ASP 48 Ca 0.09 0.41 0.05 0.00 1.18 0.00 0.00 52.55 54.27 1su9 s ASP 48 Cb -0.12 -0.53 0.24 0.00 -0.34 0.00 0.00 42.92 42.17 1su9 s ASP 48 CO 0.01 -3.15 0.93 0.35 0.68 0.00 0.00 175.17 173.99 1su9 n THR 49 N -4.07 0.77 0.61 2.11 -2.24 -0.17 -1.27 114.28 110.02 1su9 n THR 49 Ca 0.14 0.19 0.07 0.00 -2.27 0.00 0.00 64.05 62.19 1su9 n THR 49 Cb 0.59 -1.12 0.05 0.00 -2.10 0.00 0.00 70.33 67.75 1su9 n THR 49 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1su9 n ASN 50 N -1.22 2.06 0.00 3.42 3.02 -1.26 -4.98 115.26 116.30 1su9 n ASN 50 Ca 0.02 -1.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 1su9 n ASN 50 Cb 0.03 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1su9 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1su9 n GLY 51 N 0.88 0.71 3.73 7.41 0.00 -0.40 -5.06 105.19 112.46 1su9 n GLY 51 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1su9 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1su9 s LYS 52 N -0.73 4.59 0.09 1.61 2.20 -1.26 -4.77 119.74 121.47 1su9 s LYS 52 Ca 0.00 1.26 -0.31 0.00 -0.36 0.00 0.00 55.97 56.56 1su9 s LYS 52 Cb 0.00 -3.38 -0.07 0.00 -1.51 0.00 0.00 37.83 32.87 1su9 s LYS 52 CO 0.00 0.21 1.33 0.50 -0.36 0.00 0.00 175.35 177.03 1su9 s ARG 53 N 0.12 4.35 -0.11 4.03 3.52 -1.26 -1.41 118.95 128.19 1su9 s ARG 53 Ca 0.43 1.98 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 1su9 s ARG 53 Cb -0.22 -3.29 0.02 0.00 -1.56 0.00 0.00 34.95 29.91 1su9 s ARG 53 CO 0.26 -0.39 -0.09 0.42 -0.81 0.00 0.00 175.30 174.69 1su9 s ILE 54 N 1.14 1.08 -0.11 4.11 1.01 0.11 -4.96 121.20 123.58 1su9 s ILE 54 Ca 0.63 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.97 1su9 s ILE 54 Cb -0.34 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1su9 s ILE 54 CO 0.30 0.37 -0.22 -0.70 0.00 0.00 0.00 174.94 174.69 1su9 s GLU 55 N 1.52 2.87 0.29 2.79 2.12 -1.26 -1.06 118.70 125.97 1su9 s GLU 55 Ca 0.02 -0.81 0.05 0.00 0.36 0.00 0.00 54.97 54.58 1su9 s GLU 55 Cb -0.13 -2.26 0.72 0.00 0.26 0.00 0.00 34.13 32.73 1su9 s GLU 55 CO -0.06 0.07 1.74 1.25 -0.54 0.00 0.00 175.26 177.71 1su9 h LEU 56 N 7.03 0.56 -1.92 2.70 5.85 -1.79 -1.27 115.31 126.48 1su9 h LEU 56 Ca -0.26 0.12 0.15 0.00 0.84 0.00 0.00 57.88 58.73 1su9 h LEU 56 Cb 1.21 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1su9 h LEU 56 CO 0.50 0.13 0.39 0.77 -0.34 0.00 0.00 178.44 179.90 1su9 h SER 57 N 0.57 0.08 0.77 1.25 4.64 -1.96 0.83 113.55 119.73 1su9 h SER 57 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1su9 h SER 57 Cb 0.97 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1su9 h SER 57 CO -0.45 0.04 0.00 0.47 -0.87 0.00 0.00 176.83 176.03 1su9 n ASP 58 N -4.40 0.00 -0.69 4.97 8.00 -0.48 -2.83 116.55 121.12 1su9 n ASP 58 Ca 0.10 0.31 0.13 0.00 0.71 0.00 0.00 54.79 56.04 1su9 n ASP 58 Cb 0.57 -0.43 0.35 0.00 -0.02 0.00 0.00 41.12 41.59 1su9 n ASP 58 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1su9 n LEU 59 N -1.43 2.14 -4.77 0.64 4.77 0.29 -4.93 117.00 113.70 1su9 n LEU 59 Ca 0.08 -0.73 -0.41 0.00 -0.03 0.00 0.00 56.01 54.92 1su9 n LEU 59 Cb 0.27 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1su9 n LEU 59 CO 0.23 0.37 1.13 -0.54 -1.33 0.00 0.00 177.39 177.24 1su9 s LYS 60 N -1.97 4.15 0.00 3.23 1.02 -1.13 -1.35 119.74 123.68 1su9 s LYS 60 Ca 0.34 2.52 0.00 0.00 0.02 0.00 0.00 55.97 58.85 1su9 s LYS 60 Cb 0.21 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1su9 s LYS 60 CO 0.32 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 1su9 n GLY 61 N 0.69 2.32 3.46 -3.33 0.00 -0.45 -5.05 105.19 102.82 1su9 n GLY 61 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1su9 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1su9 s LYS 62 N -0.27 1.67 0.45 1.61 1.02 -0.46 -4.79 119.74 118.98 1su9 s LYS 62 Ca 0.00 -1.39 -0.19 0.00 0.02 0.00 0.00 55.97 54.41 1su9 s LYS 62 Cb 0.00 -1.97 -0.10 0.00 -0.52 0.00 0.00 37.83 35.24 1su9 s LYS 62 CO 0.00 0.43 0.94 0.20 -0.92 0.00 0.00 175.35 176.00 1su9 s GLY 63 N -2.54 2.29 -0.13 -3.33 0.00 0.20 -3.69 107.32 100.11 1su9 s GLY 63 Ca 0.20 0.30 -0.00 0.00 0.00 0.00 0.00 44.72 45.22 1su9 s GLY 63 CO 0.11 0.57 -0.07 0.14 0.00 0.00 0.00 173.10 173.85 1su9 s VAL 64 N -2.30 1.06 -0.72 1.40 1.01 0.10 -0.03 120.40 120.92 1su9 s VAL 64 Ca 0.60 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 1su9 s VAL 64 Cb -0.09 -1.12 0.13 0.00 0.00 0.00 0.00 36.38 35.30 1su9 s VAL 64 CO 0.19 0.31 0.84 0.12 0.00 0.00 0.00 175.10 176.57 1su9 s PHE 65 N 1.68 3.13 -0.25 5.22 2.19 0.52 -1.14 117.98 129.33 1su9 s PHE 65 Ca 0.04 -1.22 -0.11 0.00 0.33 0.00 0.00 56.93 55.97 1su9 s PHE 65 Cb -0.13 -4.07 -0.05 0.00 -1.31 0.00 0.00 43.02 37.46 1su9 s PHE 65 CO -0.08 -1.32 0.20 -1.17 1.83 0.00 0.00 175.22 174.67 1su9 s LEU 66 N 2.36 4.09 0.11 6.12 2.96 -0.29 -1.75 118.68 132.28 1su9 s LEU 66 Ca 0.19 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.25 1su9 s LEU 66 Cb -0.16 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1su9 s LEU 66 CO -0.00 0.01 -0.11 0.54 -1.32 0.00 0.00 176.35 175.47 1su9 s ASN 67 N 1.29 1.59 -0.12 3.68 6.03 -0.83 0.14 114.94 126.73 1su9 s ASN 67 Ca 0.09 -0.85 0.02 0.00 -1.03 0.00 0.00 52.86 51.09 1su9 s ASN 67 Cb -0.14 -0.01 -0.01 0.00 -3.03 0.00 0.00 41.25 38.06 1su9 s ASN 67 CO 0.07 -0.26 -0.18 -0.36 -2.03 0.00 0.00 177.10 174.34 1su9 s PHE 68 N -2.55 2.69 0.17 1.54 0.40 -0.26 0.25 117.98 120.23 1su9 s PHE 68 Ca 0.08 -0.88 -0.07 0.00 -0.60 0.00 0.00 56.93 55.46 1su9 s PHE 68 Cb -0.02 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.70 1su9 s PHE 68 CO 0.01 -0.34 0.24 1.67 0.70 0.00 0.00 175.22 177.50 1su9 s TRP 69 N 0.40 0.60 0.04 0.36 1.48 -0.29 -2.88 118.94 118.65 1su9 s TRP 69 Ca -0.14 -0.94 0.01 0.00 -1.06 0.00 0.00 56.10 53.97 1su9 s TRP 69 Cb -0.17 -0.18 -0.03 0.00 -1.16 0.00 0.00 33.47 31.93 1su9 s TRP 69 CO 0.06 -0.70 -0.06 0.20 -4.06 0.00 0.00 176.95 172.39 1su9 s GLY 70 N -3.02 0.46 0.35 3.67 0.00 -1.26 -1.49 107.32 106.03 1su9 s GLY 70 Ca 0.22 -0.82 0.25 0.00 0.00 0.00 0.00 44.72 44.37 1su9 s GLY 70 CO 0.03 -0.89 1.76 -0.91 0.00 0.00 0.00 173.10 173.09 1su9 h THR 71 N 4.24 0.00 0.00 0.90 1.35 -2.00 -2.08 112.91 115.32 1su9 h THR 71 Ca -0.35 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1su9 h THR 71 Cb 1.19 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1su9 h THR 71 CO 0.46 0.00 -0.44 -2.67 -0.25 0.00 0.00 175.52 172.62 1su9 n TRP 72 N -2.37 0.00 -2.22 4.73 2.14 -1.26 -4.87 117.44 113.59 1su9 n TRP 72 Ca -0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 1su9 n TRP 72 Cb 0.11 -0.28 -0.02 0.00 -0.81 0.00 0.00 31.31 30.30 1su9 n TRP 72 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1su9 h GLU 74 N 11.77 1.08 -0.29 0.00 4.39 -1.89 -1.66 114.58 127.97 1su9 h GLU 74 Ca -0.29 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.33 1su9 h GLU 74 Cb 1.13 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1su9 h GLU 74 CO 1.09 0.71 0.11 -1.35 -1.16 0.00 0.00 179.01 178.41 1su9 h PRO 75 N 1.11 0.40 -0.10 2.33 0.11 -1.94 -2.16 132.00 131.75 1su9 h PRO 75 Ca 0.41 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.34 1su9 h PRO 75 Cb 0.17 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1su9 h PRO 75 CO -0.17 0.35 -0.53 0.00 -0.21 0.00 0.00 178.00 177.43 1su9 h LYS 77 N 0.22 0.79 0.21 0.00 1.57 -1.01 -0.19 116.57 118.16 1su9 h LYS 77 Ca 0.00 -0.15 -0.31 0.00 -1.87 0.00 0.00 60.65 58.32 1su9 h LYS 77 Cb 1.01 -0.12 0.03 0.00 0.08 0.00 0.00 32.23 33.22 1su9 h LYS 77 CO 0.08 0.71 -1.44 0.87 -0.57 0.00 0.00 179.45 179.11 1su9 h LYS 78 N 0.76 0.45 0.04 3.15 1.57 -1.21 -3.39 116.57 117.94 1su9 h LYS 78 Ca 0.17 -0.77 -0.23 0.00 -1.87 0.00 0.00 60.65 57.95 1su9 h LYS 78 Cb 0.27 0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1su9 h LYS 78 CO -0.00 1.37 -1.06 0.93 -0.57 0.00 0.00 179.45 180.12 1su9 h GLU 79 N 0.02 0.11 -0.92 3.15 5.08 -0.56 -3.35 114.58 118.10 1su9 h GLU 79 Ca -0.26 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.00 1su9 h GLU 79 Cb 2.04 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 31.29 1su9 h GLU 79 CO 0.22 1.06 0.57 0.74 -1.00 0.00 0.00 179.01 180.60 1su9 h PHE 80 N 0.04 1.06 -0.41 4.33 -1.00 -1.23 -0.21 116.94 119.51 1su9 h PHE 80 Ca -0.05 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.71 1su9 h PHE 80 Cb 1.80 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 41.00 1su9 h PHE 80 CO 0.02 0.50 0.06 -1.35 -1.61 0.00 0.00 178.31 175.94 1su9 h PRO 81 N 1.01 0.62 -0.29 1.51 0.11 -1.71 -0.39 132.00 132.85 1su9 h PRO 81 Ca 0.42 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 66.34 1su9 h PRO 81 Cb 0.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1su9 h PRO 81 CO -0.20 0.60 -0.06 1.88 -0.21 0.00 0.00 178.00 180.01 1su9 h TYR 82 N 0.60 0.62 -0.66 0.65 0.05 -1.41 -1.49 116.97 115.32 1su9 h TYR 82 Ca 0.13 -0.13 0.03 0.00 0.05 0.00 0.00 58.73 58.82 1su9 h TYR 82 Cb 0.29 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.84 1su9 h TYR 82 CO 0.01 0.74 0.41 0.52 -1.05 0.00 0.00 178.16 178.79 1su9 h MET 83 N 0.33 0.77 -0.39 4.88 2.86 -0.67 -0.88 114.93 121.82 1su9 h MET 83 Ca 0.08 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1su9 h MET 83 Cb 0.53 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1su9 h MET 83 CO 0.03 0.51 0.19 0.00 1.06 0.00 0.00 176.91 178.70 1su9 h ALA 84 N 1.29 0.50 -0.74 6.32 0.00 -0.91 0.22 119.26 125.95 1su9 h ALA 84 Ca 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1su9 h ALA 84 Cb 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1su9 h ALA 84 CO -0.12 0.06 0.46 -0.97 0.00 0.00 0.00 179.25 178.68 1su9 h ASN 85 N 0.50 0.89 0.46 0.00 -1.24 -0.85 -2.40 115.58 112.93 1su9 h ASN 85 Ca 0.14 -0.06 -0.14 0.00 0.71 0.00 0.00 56.30 56.95 1su9 h ASN 85 Cb 0.11 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1su9 h ASN 85 CO -0.02 0.68 -0.61 1.56 -1.29 0.00 0.00 177.43 177.76 1su9 h GLN 86 N 1.02 0.15 -0.47 6.67 1.08 -0.90 -3.02 115.11 119.64 1su9 h GLN 86 Ca 0.27 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1su9 h GLN 86 Cb -0.05 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1su9 h GLN 86 CO -0.05 0.71 0.26 -0.92 -0.95 0.00 0.00 178.83 177.87 1su9 h TYR 87 N 0.11 0.62 -0.16 2.96 3.20 -0.07 -0.39 116.97 123.24 1su9 h TYR 87 Ca -0.01 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.90 1su9 h TYR 87 Cb 1.10 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1su9 h TYR 87 CO 0.01 0.43 0.11 0.87 -1.64 0.00 0.00 178.16 177.95 1su9 h LYS 88 N 0.64 0.03 0.09 1.82 1.57 -1.34 -0.26 116.57 119.12 1su9 h LYS 88 Ca 0.17 -0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.63 1su9 h LYS 88 Cb 0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1su9 h LYS 88 CO -0.03 0.02 -1.69 1.25 -0.57 0.00 0.00 179.45 178.43 1su9 h HIS 89 N 0.03 0.33 0.00 -1.35 2.76 -1.30 -3.42 115.15 112.21 1su9 h HIS 89 Ca 0.07 -0.24 -0.08 0.00 -2.20 0.00 0.00 60.37 57.92 1su9 h HIS 89 Cb 0.25 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 1su9 h HIS 89 CO -0.00 1.67 -0.70 0.74 -1.30 0.00 0.00 177.93 178.34 1su9 h PHE 90 N -0.31 0.00 -0.26 5.26 0.04 -0.96 -3.39 116.94 117.32 1su9 h PHE 90 Ca -0.39 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.45 1su9 h PHE 90 Cb 1.77 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.86 1su9 h PHE 90 CO 0.09 0.33 -0.17 -0.22 -0.60 0.00 0.00 178.31 177.74 1su9 h LYS 91 N 0.00 -0.14 0.00 1.51 3.64 -1.16 0.31 116.57 120.73 1su9 h LYS 91 Ca -0.04 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1su9 h LYS 91 Cb 1.29 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1su9 h LYS 91 CO 0.04 -0.10 0.00 -1.13 -2.27 0.00 0.00 179.45 175.99 1su9 n SER 92 N -5.33 0.00 -1.06 4.20 3.41 -1.26 -2.40 113.62 111.18 1su9 n SER 92 Ca -0.00 0.15 0.12 0.00 -0.26 0.00 0.00 58.87 58.88 1su9 n SER 92 Cb 0.25 -0.34 0.20 0.00 -0.26 0.00 0.00 64.21 64.06 1su9 n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1su9 n GLN 93 N -1.34 2.41 -0.21 4.33 6.02 0.07 -4.96 117.38 123.69 1su9 n GLN 93 Ca 0.07 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 1su9 n GLN 93 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1su9 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1su9 n GLY 94 N 1.44 0.88 3.24 1.08 0.00 -1.01 -4.22 105.19 106.60 1su9 n GLY 94 Ca 0.18 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1su9 n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su9 s VAL 95 N -2.00 3.10 0.23 1.61 1.01 -1.01 -0.63 120.40 122.70 1su9 s VAL 95 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1su9 s VAL 95 Cb 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1su9 s VAL 95 CO 0.00 0.22 0.39 -0.70 0.00 0.00 0.00 175.10 175.01 1su9 s GLU 96 N 1.37 3.48 -0.06 2.72 2.56 0.95 -3.92 118.70 125.80 1su9 s GLU 96 Ca 0.01 -0.50 0.06 0.00 0.00 0.00 0.00 54.97 54.54 1su9 s GLU 96 Cb -0.16 -2.84 -0.01 0.00 2.00 0.00 0.00 34.13 33.12 1su9 s GLU 96 CO -0.03 0.38 -0.25 0.42 -0.56 0.00 0.00 175.26 175.22 1su9 s ILE 97 N -1.96 2.05 -0.26 -3.70 1.01 -1.26 -0.36 121.20 116.72 1su9 s ILE 97 Ca 0.37 -1.06 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 1su9 s ILE 97 Cb -0.10 -1.74 0.08 0.00 0.01 0.00 0.00 42.46 40.71 1su9 s ILE 97 CO 0.30 0.57 0.06 -0.69 0.00 0.00 0.00 174.94 175.18 1su9 s VAL 98 N -0.12 0.75 -0.53 2.92 1.01 -0.72 -3.80 120.40 119.91 1su9 s VAL 98 Ca -0.05 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 1su9 s VAL 98 Cb -0.14 -1.39 0.09 0.00 0.00 0.00 0.00 36.38 34.95 1su9 s VAL 98 CO 0.04 -0.44 0.57 0.00 0.00 0.00 0.00 175.10 175.27 1su9 s ALA 99 N 1.72 3.50 -0.45 5.51 0.00 -0.29 -1.96 121.76 129.79 1su9 s ALA 99 Ca 0.04 -2.18 -0.26 0.00 0.00 0.00 0.00 51.96 49.56 1su9 s ALA 99 Cb -0.17 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1su9 s ALA 99 CO -0.17 -2.06 0.96 0.08 0.00 0.00 0.00 175.76 174.58 1su9 s VAL 100 N 2.17 4.44 0.13 0.00 1.01 0.14 -1.47 120.40 126.81 1su9 s VAL 100 Ca 0.08 0.88 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 1su9 s VAL 100 Cb -0.25 -4.45 -0.06 0.00 0.00 0.00 0.00 36.38 31.62 1su9 s VAL 100 CO 0.07 -0.83 0.95 0.21 0.00 0.00 0.00 175.10 175.50 1su9 s ASN 101 N 2.25 7.52 -0.70 3.32 3.84 -0.33 -1.13 114.94 129.71 1su9 s ASN 101 Ca 0.39 1.81 -0.07 0.00 0.21 0.00 0.00 52.86 55.20 1su9 s ASN 101 Cb -0.10 -2.59 -0.15 0.00 -0.55 0.00 0.00 41.25 37.86 1su9 s ASN 101 CO 0.26 -0.02 3.24 1.33 -2.79 0.00 0.00 177.10 179.12 1su9 n VAL 102 N 2.57 3.64 -0.61 -5.21 0.24 -0.56 -1.65 118.33 116.75 1su9 n VAL 102 Ca 0.01 -2.20 0.00 0.00 -2.04 0.00 0.00 64.34 60.11 1su9 n VAL 102 Cb 0.49 -2.18 0.00 0.00 -1.47 0.00 0.00 33.84 30.67 1su9 n VAL 102 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1su9 n GLY 103 N 2.68 0.64 3.93 7.63 0.00 -1.03 -4.87 105.19 114.16 1su9 n GLY 103 Ca 0.57 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1su9 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1su9 s GLU 104 N -1.03 2.50 0.62 1.61 2.02 -1.26 -4.92 118.70 118.24 1su9 s GLU 104 Ca 0.00 -0.20 -0.17 0.00 0.02 0.00 0.00 54.97 54.62 1su9 s GLU 104 Cb 0.00 -2.23 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 1su9 s GLU 104 CO 0.00 -0.99 1.17 -1.54 0.02 0.00 0.00 175.26 173.92 1su9 s SER 105 N -4.43 5.07 0.35 -0.19 1.04 -1.26 -4.84 113.70 109.44 1su9 s SER 105 Ca 0.57 2.27 0.06 0.00 0.48 0.00 0.00 55.95 59.33 1su9 s SER 105 Cb -0.11 -2.58 0.73 0.00 0.10 0.00 0.00 66.02 64.16 1su9 s SER 105 CO 0.44 -1.66 1.92 0.11 0.98 0.00 0.00 173.24 175.03 1su9 h LYS 106 N 0.54 0.76 -0.20 4.02 1.57 -1.99 -1.19 116.57 120.08 1su9 h LYS 106 Ca -0.49 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.09 1su9 h LYS 106 Cb 1.28 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1su9 h LYS 106 CO 0.54 0.50 -0.51 0.97 -0.57 0.00 0.00 179.45 180.38 1su9 h ILE 107 N 0.78 1.32 -0.35 1.86 6.09 -1.99 0.12 117.51 125.35 1su9 h ILE 107 Ca 0.37 -1.74 -0.05 0.00 -1.37 0.00 0.00 64.86 62.08 1su9 h ILE 107 Cb 0.41 1.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.41 1su9 h ILE 107 CO -0.15 0.54 0.04 0.00 -3.07 0.00 0.00 178.15 175.52 1su9 h ALA 108 N 1.01 0.47 -0.29 0.18 0.00 -1.63 -2.04 119.26 116.97 1su9 h ALA 108 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1su9 h ALA 108 Cb 1.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1su9 h ALA 108 CO 0.10 0.18 0.04 0.28 0.00 0.00 0.00 179.25 179.85 1su9 h VAL 109 N 0.42 1.24 -0.52 0.00 2.07 -1.18 -2.55 116.25 115.73 1su9 h VAL 109 Ca 0.10 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.86 1su9 h VAL 109 Cb 0.38 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1su9 h VAL 109 CO 0.01 0.26 0.25 -0.74 0.02 0.00 0.00 177.57 177.37 1su9 h HIS 110 N 0.29 0.45 -0.69 1.57 6.17 -0.90 -0.35 115.15 121.70 1su9 h HIS 110 Ca 0.09 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.14 1su9 h HIS 110 Cb 0.35 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 30.13 1su9 h HIS 110 CO 0.02 0.20 0.22 -0.91 0.71 0.00 0.00 177.93 178.18 1su9 h ASN 111 N 0.48 0.98 -0.32 3.26 -0.26 -1.31 -1.87 115.58 116.54 1su9 h ASN 111 Ca 0.23 -0.17 -0.08 0.00 -0.56 0.00 0.00 56.30 55.73 1su9 h ASN 111 Cb 0.17 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 1su9 h ASN 111 CO -0.18 0.90 -0.10 0.15 -1.06 0.00 0.00 177.43 177.14 1su9 h PHE 112 N 1.01 0.72 -0.92 1.19 3.04 -1.00 -1.04 116.94 119.94 1su9 h PHE 112 Ca 0.23 -0.16 0.03 0.00 3.98 0.00 0.00 57.97 62.04 1su9 h PHE 112 Cb 0.27 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 38.56 1su9 h PHE 112 CO 0.02 0.83 0.60 0.52 -2.02 0.00 0.00 178.31 178.26 1su9 h MET 113 N 0.41 1.15 -0.20 1.11 2.86 -0.86 -1.76 114.93 117.63 1su9 h MET 113 Ca 0.08 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 1su9 h MET 113 Cb 0.61 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1su9 h MET 113 CO 0.04 0.76 -0.15 -0.22 1.06 0.00 0.00 176.91 178.40 1su9 h LYS 114 N 1.19 0.46 -0.13 1.72 3.64 -1.21 -1.39 116.57 120.85 1su9 h LYS 114 Ca 0.36 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1su9 h LYS 114 Cb -0.03 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1su9 h LYS 114 CO -0.11 0.78 -0.04 0.77 -2.27 0.00 0.00 179.45 178.58 1su9 h SER 115 N 0.14 0.17 -0.33 4.20 0.02 -0.90 -3.11 113.55 113.75 1su9 h SER 115 Ca 0.04 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1su9 h SER 115 Cb 0.67 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 1su9 h SER 115 CO 0.04 0.25 0.01 -1.22 -1.14 0.00 0.00 176.83 174.77 1su9 n TYR 116 N -4.38 1.12 -3.92 3.45 4.01 -0.69 -4.99 117.16 111.76 1su9 n TYR 116 Ca -0.01 -1.07 -0.30 0.00 -0.16 0.00 0.00 57.90 56.36 1su9 n TYR 116 Cb 0.19 -0.39 0.02 0.00 -0.31 0.00 0.00 39.34 38.85 1su9 n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1su9 n GLY 117 N -0.63 -0.48 3.71 2.72 0.00 -1.04 -4.10 105.19 105.38 1su9 n GLY 117 Ca 0.26 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 1su9 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su9 s VAL 118 N -3.33 2.87 -0.04 1.61 1.01 -0.55 -4.85 120.40 117.12 1su9 s VAL 118 Ca 0.63 0.59 0.06 0.00 0.00 0.00 0.00 61.98 63.25 1su9 s VAL 118 Cb -0.31 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 32.77 1su9 s VAL 118 CO 0.83 0.04 0.95 -0.46 0.00 0.00 0.00 175.10 176.46 1su9 n ASN 119 N 4.20 1.38 -4.57 3.32 6.94 -1.26 -4.92 115.26 120.34 1su9 n ASN 119 Ca 0.13 -2.14 -0.27 0.00 -0.02 0.00 0.00 54.58 52.29 1su9 n ASN 119 Cb 0.40 -0.17 -0.11 0.00 -2.36 0.00 0.00 39.78 37.54 1su9 n ASN 119 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1su9 s PHE 120 N -1.21 2.41 0.19 -2.53 -0.12 -1.26 -5.06 117.98 110.40 1su9 s PHE 120 Ca 0.10 -0.63 -0.32 0.00 -0.05 0.00 0.00 56.93 56.03 1su9 s PHE 120 Cb 0.09 -1.57 -0.11 0.00 -0.63 0.00 0.00 43.02 40.79 1su9 s PHE 120 CO 0.01 0.46 1.63 -2.14 -0.05 0.00 0.00 175.22 175.13 1su9 s PRO 121 N -3.69 4.18 -0.10 1.99 0.02 -1.25 -4.96 135.00 131.19 1su9 s PRO 121 Ca 0.34 2.47 0.02 0.00 0.02 0.00 0.00 61.00 63.85 1su9 s PRO 121 Cb 0.07 -3.12 0.01 0.00 0.02 0.00 0.00 34.50 31.49 1su9 s PRO 121 CO 0.17 -0.66 -0.16 0.08 -0.33 0.00 0.00 177.00 176.10 1su9 s VAL 122 N 1.09 1.49 0.27 3.83 1.01 -1.26 -1.14 120.40 125.70 1su9 s VAL 122 Ca 0.72 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 62.14 1su9 s VAL 122 Cb -0.46 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1su9 s VAL 122 CO 0.32 0.44 -0.03 0.68 0.00 0.00 0.00 175.10 176.51 1su9 s VAL 123 N 0.85 3.26 -0.33 2.92 -7.23 -0.54 -1.00 120.40 118.32 1su9 s VAL 123 Ca -0.10 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.02 1su9 s VAL 123 Cb -0.15 -2.76 0.04 0.00 0.56 0.00 0.00 36.38 34.06 1su9 s VAL 123 CO 0.01 -0.37 0.10 -0.76 -0.31 0.00 0.00 175.10 173.77 1su9 s LEU 124 N -3.65 4.27 -1.30 1.32 1.43 -0.80 -1.19 118.68 118.75 1su9 s LEU 124 Ca 0.31 -1.10 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 1su9 s LEU 124 Cb -0.06 -1.87 0.15 0.00 0.03 0.00 0.00 46.19 44.44 1su9 s LEU 124 CO 0.19 -0.31 1.94 -0.67 0.23 0.00 0.00 176.35 177.72 1su9 n ASP 125 N 4.82 5.00 -0.32 2.29 2.03 -0.66 -4.58 116.55 125.13 1su9 n ASP 125 Ca -0.13 -3.08 0.18 0.00 0.52 0.00 0.00 54.79 52.29 1su9 n ASP 125 Cb 0.45 -1.50 0.38 0.00 -0.72 0.00 0.00 41.12 39.74 1su9 n ASP 125 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1su9 h THR 126 N 3.74 0.30 -0.30 5.18 1.35 -1.91 -1.49 112.91 119.78 1su9 h THR 126 Ca 0.42 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.19 1su9 h THR 126 Cb 0.62 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 1su9 h THR 126 CO 1.66 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 176.08 1su9 n ASP 127 N -5.14 3.24 -1.34 5.36 5.68 -1.26 -4.67 116.55 118.42 1su9 n ASP 127 Ca 0.27 -2.39 -0.18 0.00 -0.50 0.00 0.00 54.79 51.99 1su9 n ASP 127 Cb 0.84 -0.34 -0.08 0.00 -1.14 0.00 0.00 41.12 40.40 1su9 n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1su9 n ARG 128 N 0.07 -1.47 -0.18 0.11 1.74 -0.59 -4.86 116.66 111.48 1su9 n ARG 128 Ca 0.15 1.11 -0.10 0.00 -0.77 0.00 0.00 57.85 58.24 1su9 n ARG 128 Cb 0.59 -5.48 0.01 0.00 -1.02 0.00 0.00 32.46 26.57 1su9 n ARG 128 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1su9 h GLN 129 N 0.01 1.04 -0.44 5.56 4.20 -1.93 -1.91 115.11 121.63 1su9 h GLN 129 Ca -0.36 -0.40 -0.13 0.00 0.06 0.00 0.00 58.65 57.82 1su9 h GLN 129 Cb 1.27 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 1su9 h GLN 129 CO 0.53 1.09 -0.26 0.28 -0.67 0.00 0.00 178.83 179.80 1su9 h VAL 130 N 0.91 1.27 -0.47 -0.54 2.07 -1.92 0.19 116.25 117.77 1su9 h VAL 130 Ca 0.14 -1.42 0.06 0.00 0.82 0.00 0.00 66.70 66.30 1su9 h VAL 130 Cb 0.70 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1su9 h VAL 130 CO 0.05 0.48 0.18 0.25 0.02 0.00 0.00 177.57 178.56 1su9 h LEU 131 N 0.79 0.21 -0.56 2.57 6.46 -1.90 -1.35 115.31 121.52 1su9 h LEU 131 Ca 0.10 0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 1su9 h LEU 131 Cb 0.82 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 1su9 h LEU 131 CO 0.07 0.15 0.10 0.44 -0.62 0.00 0.00 178.44 178.58 1su9 h ASP 132 N 0.37 0.89 -0.75 1.25 3.32 -1.07 -1.61 116.42 118.82 1su9 h ASP 132 Ca 0.22 -0.26 0.10 0.00 0.02 0.00 0.00 57.03 57.12 1su9 h ASP 132 Cb 0.21 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 1su9 h ASP 132 CO -0.21 0.92 0.49 0.00 -1.72 0.00 0.00 179.24 178.72 1su9 h ALA 133 N 1.00 1.85 -0.18 3.45 0.00 -0.22 0.26 119.26 125.42 1su9 h ALA 133 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1su9 h ALA 133 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1su9 h ALA 133 CO 0.01 -0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1su9 n TYR 134 N -4.50 0.23 -3.93 0.00 4.02 -0.58 -4.89 117.16 107.51 1su9 n TYR 134 Ca 0.13 -0.11 -0.26 0.00 -0.01 0.00 0.00 57.90 57.64 1su9 n TYR 134 Cb 0.36 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.67 1su9 n TYR 134 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1su9 n ASP 135 N 0.65 -1.16 -4.73 7.72 2.03 0.92 -4.90 116.55 117.08 1su9 n ASP 135 Ca 0.17 -0.95 -0.41 0.00 0.52 0.00 0.00 54.79 54.12 1su9 n ASP 135 Cb 0.42 -3.29 -0.04 0.00 -0.72 0.00 0.00 41.12 37.48 1su9 n ASP 135 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1su9 s VAL 136 N -3.78 4.63 0.00 5.18 1.01 -0.76 -4.97 120.40 121.72 1su9 s VAL 136 Ca 0.14 1.98 0.00 0.00 0.00 0.00 0.00 61.98 64.09 1su9 s VAL 136 Cb -0.07 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1su9 s VAL 136 CO 0.87 0.29 0.00 -0.24 0.00 0.00 0.00 175.10 176.03 1su9 n SER 137 N 3.03 0.00 -4.78 3.32 2.88 -1.26 -4.87 113.62 111.94 1su9 n SER 137 Ca 0.02 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.19 1su9 n SER 137 Cb 0.50 -0.05 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 1su9 n SER 137 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1su9 s PRO 138 N -0.61 4.11 -0.11 -1.46 0.04 -1.26 -5.03 135.00 130.69 1su9 s PRO 138 Ca 0.00 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.63 1su9 s PRO 138 Cb 0.00 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 1su9 s PRO 138 CO 0.00 -0.20 -0.18 -0.51 0.04 0.00 0.00 177.00 176.15 1su9 s LEU 139 N -2.66 2.42 0.66 -3.56 1.43 -1.26 -3.73 118.68 111.98 1su9 s LEU 139 Ca 0.58 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 1su9 s LEU 139 Cb -0.23 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.52 1su9 s LEU 139 CO 0.29 0.18 0.96 -2.16 0.23 0.00 0.00 176.35 175.86 1su9 s PRO 140 N 0.22 2.42 -0.01 1.29 0.04 -1.26 -4.97 135.00 132.73 1su9 s PRO 140 Ca -0.12 -0.24 0.01 0.00 0.04 0.00 0.00 61.00 60.69 1su9 s PRO 140 Cb -0.16 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.17 1su9 s PRO 140 CO 0.06 -1.05 -0.01 0.99 0.04 0.00 0.00 177.00 177.04 1su9 s THR 141 N -3.14 0.15 -0.08 1.26 2.01 -1.14 -4.68 115.64 110.03 1su9 s THR 141 Ca 0.58 -0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.63 1su9 s THR 141 Cb -0.11 -0.18 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 1su9 s THR 141 CO 0.44 0.09 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.34 1su9 s THR 142 N 0.42 1.93 -0.17 -0.82 2.01 0.15 -1.10 115.64 118.06 1su9 s THR 142 Ca -0.04 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 1su9 s THR 142 Cb -0.06 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 1su9 s THR 142 CO -0.01 0.53 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.02 1su9 s PHE 143 N 0.17 2.91 -0.36 4.92 0.40 0.38 -0.16 117.98 126.25 1su9 s PHE 143 Ca -0.12 -0.67 -0.17 0.00 -0.60 0.00 0.00 56.93 55.37 1su9 s PHE 143 Cb -0.16 -1.96 -0.00 0.00 0.51 0.00 0.00 43.02 41.41 1su9 s PHE 143 CO 0.06 -0.29 0.43 -0.51 0.70 0.00 0.00 175.22 175.61 1su9 s LEU 144 N 0.74 4.47 -0.19 -0.37 1.43 -0.16 -1.13 118.68 123.45 1su9 s LEU 144 Ca -0.04 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1su9 s LEU 144 Cb -0.15 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 1su9 s LEU 144 CO 0.02 -0.42 -0.05 -0.63 0.23 0.00 0.00 176.35 175.49 1su9 s ILE 145 N 2.17 3.43 0.92 -0.59 1.01 -0.30 -0.45 121.20 127.40 1su9 s ILE 145 Ca 0.14 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 1su9 s ILE 145 Cb -0.16 -2.53 0.15 0.00 0.01 0.00 0.00 42.46 39.93 1su9 s ILE 145 CO 0.13 0.45 1.18 0.54 0.00 0.00 0.00 174.94 177.23 1su9 s ASN 146 N 1.10 3.42 0.60 3.58 6.03 -0.55 0.01 114.94 129.14 1su9 s ASN 146 Ca 0.01 0.77 0.31 0.00 -1.03 0.00 0.00 52.86 52.92 1su9 s ASN 146 Cb -0.15 -1.19 1.80 0.00 -3.03 0.00 0.00 41.25 38.69 1su9 s ASN 146 CO -0.01 -2.58 2.17 -0.65 -2.03 0.00 0.00 177.10 174.00 1su9 h PRO 147 N -1.52 0.00 0.00 3.55 0.11 -1.77 0.20 132.00 132.57 1su9 h PRO 147 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1su9 h PRO 147 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1su9 h PRO 147 CO 0.56 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.74 1su9 n GLU 148 N -3.68 0.09 -0.54 1.05 4.71 -1.26 -1.35 120.64 119.67 1su9 n GLU 148 Ca -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1su9 n GLU 148 Cb 0.22 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 1su9 n GLU 148 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1su9 n GLY 149 N 1.33 0.68 3.71 0.62 0.00 0.06 -5.02 105.19 106.57 1su9 n GLY 149 Ca 0.08 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1su9 n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1su9 s LYS 150 N -0.97 2.90 -0.29 1.61 -0.14 -1.26 -1.82 119.74 119.78 1su9 s LYS 150 Ca 0.00 -0.53 -0.29 0.00 -1.36 0.00 0.00 55.97 53.79 1su9 s LYS 150 Cb 0.00 -2.75 0.01 0.00 -1.68 0.00 0.00 37.83 33.41 1su9 s LYS 150 CO 0.00 0.65 1.15 0.08 -0.76 0.00 0.00 175.35 176.47 1su9 s VAL 151 N -1.06 4.41 -0.64 3.17 1.01 0.40 -1.48 120.40 126.19 1su9 s VAL 151 Ca 0.19 1.63 0.22 0.00 0.00 0.00 0.00 61.98 64.02 1su9 s VAL 151 Cb -0.12 -4.29 -0.25 0.00 0.00 0.00 0.00 36.38 31.72 1su9 s VAL 151 CO 0.09 -0.41 0.78 1.33 0.00 0.00 0.00 175.10 176.89 1su9 n VAL 152 N 5.84 0.02 -3.60 2.92 0.24 0.41 -4.05 118.33 120.11 1su9 n VAL 152 Ca 0.13 -0.19 -0.11 0.00 -2.04 0.00 0.00 64.34 62.13 1su9 n VAL 152 Cb 0.47 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.36 1su9 n VAL 152 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1su9 s LYS 153 N -3.19 0.62 -0.16 7.34 2.20 -1.23 -5.00 119.74 120.32 1su9 s LYS 153 Ca 0.02 0.39 0.01 0.00 -0.36 0.00 0.00 55.97 56.03 1su9 s LYS 153 Cb 0.15 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.79 1su9 s LYS 153 CO 0.88 -0.15 -0.18 0.08 -0.36 0.00 0.00 175.35 175.62 1su9 s VAL 154 N -0.50 1.86 -0.18 4.02 1.01 -1.26 -0.99 120.40 124.35 1su9 s VAL 154 Ca -0.01 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1su9 s VAL 154 Cb -0.02 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1su9 s VAL 154 CO -0.01 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 1su9 s VAL 155 N 1.34 3.06 -0.25 2.92 1.01 0.77 -4.95 120.40 124.30 1su9 s VAL 155 Ca 0.04 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1su9 s VAL 155 Cb -0.13 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1su9 s VAL 155 CO -0.11 0.48 0.29 0.35 0.00 0.00 0.00 175.10 176.10 1su9 n THR 156 N 4.34 0.00 -2.47 3.92 -2.24 -1.26 -0.68 114.28 115.89 1su9 n THR 156 Ca -0.19 -0.45 -0.23 0.00 -2.27 0.00 0.00 64.05 60.92 1su9 n THR 156 Cb 0.51 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.84 1su9 n THR 156 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1su9 s GLY 157 N -1.01 1.77 0.66 3.38 0.00 -1.26 -4.87 107.32 105.99 1su9 s GLY 157 Ca 0.02 -1.32 -0.14 0.00 0.00 0.00 0.00 44.72 43.28 1su9 s GLY 157 CO 0.11 -0.91 1.09 -0.51 0.00 0.00 0.00 173.10 172.89 1su9 s THR 158 N -3.04 3.46 -0.01 0.90 -4.23 -1.26 -5.04 115.64 106.42 1su9 s THR 158 Ca 0.61 0.63 0.04 0.00 -1.18 0.00 0.00 61.69 61.79 1su9 s THR 158 Cb -0.09 -3.17 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 1su9 s THR 158 CO 0.42 -0.46 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.86 1su9 s MET 159 N -4.29 1.11 0.55 3.99 1.00 -1.26 -5.12 119.30 115.28 1su9 s MET 159 Ca 0.65 -0.51 -0.02 0.00 0.00 0.00 0.00 55.69 55.81 1su9 s MET 159 Cb -0.18 -1.08 0.02 0.00 0.00 0.00 0.00 34.83 33.59 1su9 s MET 159 CO 0.44 0.29 0.80 0.95 0.00 0.00 0.00 175.02 177.50 1su9 s THR 160 N -0.36 3.26 0.29 2.05 -4.23 -1.26 -4.83 115.64 110.56 1su9 s THR 160 Ca 0.05 -0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.16 1su9 s THR 160 Cb -0.05 -3.25 0.13 0.00 1.34 0.00 0.00 72.50 70.66 1su9 s THR 160 CO -0.00 -0.21 1.81 -0.08 -0.54 0.00 0.00 174.62 175.60 1su9 h GLU 161 N 0.03 0.68 -0.91 3.99 4.81 -1.97 -1.93 114.58 119.28 1su9 h GLU 161 Ca -0.44 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 58.66 1su9 h GLU 161 Cb 1.28 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 1su9 h GLU 161 CO 0.57 0.70 0.58 0.77 -0.73 0.00 0.00 179.01 180.90 1su9 h SER 162 N 0.64 0.96 -0.38 1.04 0.02 -1.99 0.12 113.55 113.96 1su9 h SER 162 Ca 0.13 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1su9 h SER 162 Cb 0.40 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1su9 h SER 162 CO 0.01 0.64 -0.01 0.24 -1.14 0.00 0.00 176.83 176.58 1su9 h MET 163 N 1.11 0.67 -0.86 3.45 2.86 -1.81 -1.70 114.93 118.65 1su9 h MET 163 Ca 0.37 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1su9 h MET 163 Cb 0.06 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1su9 h MET 163 CO -0.14 0.77 0.46 0.82 1.06 0.00 0.00 176.91 179.89 1su9 h ILE 164 N 0.49 1.25 -0.24 -1.22 2.04 -0.69 0.11 117.51 119.24 1su9 h ILE 164 Ca 0.11 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1su9 h ILE 164 Cb 0.48 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1su9 h ILE 164 CO 0.02 0.29 0.15 -0.74 0.00 0.00 0.00 178.15 177.87 1su9 h HIS 165 N 1.20 0.32 -0.65 1.37 2.76 -0.61 -1.38 115.15 118.16 1su9 h HIS 165 Ca 0.30 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.40 1su9 h HIS 165 Cb 0.04 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 1su9 h HIS 165 CO 0.01 0.24 0.11 -0.44 -1.30 0.00 0.00 177.93 176.55 1su9 h ASP 166 N 0.31 1.02 -0.63 3.26 3.32 -0.84 -2.21 116.42 120.64 1su9 h ASP 166 Ca 0.09 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 1su9 h ASP 166 Cb 0.01 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1su9 h ASP 166 CO -0.02 1.01 0.21 1.88 -1.72 0.00 0.00 179.24 180.60 1su9 h TYR 167 N 1.00 1.03 0.00 4.55 0.05 -0.51 -2.03 116.97 121.07 1su9 h TYR 167 Ca 0.20 -0.09 -0.09 0.00 0.05 0.00 0.00 58.73 58.80 1su9 h TYR 167 Cb 0.42 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1su9 h TYR 167 CO 0.03 0.82 -0.42 0.52 -1.05 0.00 0.00 178.16 178.07 1su9 h MET 168 N 0.97 0.00 0.00 4.88 2.86 -1.05 -2.37 114.93 120.23 1su9 h MET 168 Ca 0.22 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1su9 h MET 168 Cb 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1su9 h MET 168 CO -0.01 0.42 -0.51 -0.91 1.06 0.00 0.00 176.91 176.95 1su9 h ASN 169 N 0.00 0.00 0.13 1.22 -0.26 -0.81 -2.21 115.58 113.65 1su9 h ASN 169 Ca -0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1su9 h ASN 169 Cb 0.85 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.10 1su9 h ASN 169 CO 0.05 0.51 -0.14 -0.07 -1.06 0.00 0.00 177.43 176.72 1su9 h LEU 170 N 0.00 0.03 -3.01 1.61 4.07 -0.83 -3.01 115.31 114.18 1su9 h LEU 170 Ca -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1su9 h LEU 170 Cb 0.92 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1su9 h LEU 170 CO 0.07 0.18 0.00 2.30 -1.08 0.00 0.00 178.44 179.91 1su9 n ILE 171 N -4.35 1.36 -2.34 1.22 -5.35 -1.09 -4.96 119.36 103.86 1su9 n ILE 171 Ca -0.02 -1.35 -0.41 0.00 -0.27 0.00 0.00 62.75 60.69 1su9 n ILE 171 Cb 0.22 0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 38.34 1su9 n ILE 171 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1su9 s LYS 172 N -1.61 4.44 0.25 6.28 2.20 -0.85 -3.42 119.74 127.04 1su9 s LYS 172 Ca 0.21 1.90 -0.05 0.00 -0.36 0.00 0.00 55.97 57.66 1su9 s LYS 172 Cb 0.15 -3.26 0.28 0.00 -1.51 0.00 0.00 37.83 33.49 1su9 s LYS 172 CO 0.08 -0.19 1.93 -1.35 -0.36 0.00 0.00 175.35 175.45 1su9 h PRO 173 N 5.83 1.30 -0.01 4.03 0.11 -1.80 -3.49 132.00 137.97 1su9 h PRO 173 Ca -0.44 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1su9 h PRO 173 Cb 1.21 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1su9 h PRO 173 CO 0.78 0.86 0.00 0.41 -0.21 0.00 0.00 178.00 179.84