#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su5 s PRO 3 N 0.00 3.92 0.12 0.00 0.02 -1.26 -4.90 135.00 132.90 1su5 s PRO 3 Ca 0.00 1.98 -0.31 0.00 0.02 0.00 0.00 61.00 62.69 1su5 s PRO 3 Cb 0.00 -2.65 -0.08 0.00 0.02 0.00 0.00 34.50 31.80 1su5 s PRO 3 CO 0.00 -0.47 1.34 1.03 -0.33 0.00 0.00 177.00 178.57 1su5 s ARG 4 N -2.36 4.35 0.09 5.54 0.52 -1.26 -4.96 118.95 120.87 1su5 s ARG 4 Ca 0.59 2.02 -0.31 0.00 -0.52 0.00 0.00 55.73 57.51 1su5 s ARG 4 Cb -0.34 -3.26 -0.08 0.00 0.52 0.00 0.00 34.95 31.79 1su5 s ARG 4 CO 0.43 -0.37 1.60 0.21 0.02 0.00 0.00 175.30 177.18 1su5 s LYS 5 N 0.90 4.21 0.24 3.54 2.20 -1.26 -4.97 119.74 124.60 1su5 s LYS 5 Ca 0.62 2.30 -0.31 0.00 -0.36 0.00 0.00 55.97 58.22 1su5 s LYS 5 Cb -0.35 -3.47 -0.12 0.00 -1.51 0.00 0.00 37.83 32.37 1su5 s LYS 5 CO 0.31 -0.67 1.59 0.34 -0.36 0.00 0.00 175.35 176.56 1su5 n PHE 6 N 5.09 2.60 -4.43 4.03 -0.00 -1.26 -4.85 117.46 118.64 1su5 n PHE 6 Ca 0.15 0.24 -0.23 0.00 -0.00 0.00 0.00 57.45 57.60 1su5 n PHE 6 Cb 0.40 -2.58 -0.16 0.00 -0.00 0.00 0.00 39.48 37.14 1su5 n PHE 6 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 1su5 s PHE 7 N 0.43 1.22 -0.10 -5.13 2.19 -0.98 -0.98 117.98 114.63 1su5 s PHE 7 Ca 0.70 -0.43 0.01 0.00 0.33 0.00 0.00 56.93 57.53 1su5 s PHE 7 Cb -0.56 -0.94 0.02 0.00 -1.31 0.00 0.00 43.02 40.23 1su5 s PHE 7 CO 0.43 -0.25 -0.10 0.08 1.83 0.00 0.00 175.22 177.20 1su5 s VAL 8 N 0.78 1.14 -0.09 3.12 1.01 -0.03 -1.38 120.40 124.94 1su5 s VAL 8 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1su5 s VAL 8 Cb -0.15 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1su5 s VAL 8 CO 0.02 0.38 -0.09 -0.83 0.00 0.00 0.00 175.10 174.58 1su5 s GLY 9 N 1.32 1.64 -0.30 4.51 0.00 -0.21 -1.58 107.32 112.69 1su5 s GLY 9 Ca -0.02 -0.89 -0.08 0.00 0.00 0.00 0.00 44.72 43.73 1su5 s GLY 9 CO -0.04 -0.48 0.12 -0.32 0.00 0.00 0.00 173.10 172.37 1su5 s GLY 10 N -0.35 1.83 -0.54 0.20 0.00 0.38 -0.87 107.32 107.97 1su5 s GLY 10 Ca 0.05 -1.43 -0.17 0.00 0.00 0.00 0.00 44.72 43.16 1su5 s GLY 10 CO 0.02 0.68 0.54 0.21 0.00 0.00 0.00 173.10 174.55 1su5 s ASN 11 N 1.55 6.18 0.29 1.64 2.47 0.13 0.16 114.94 127.37 1su5 s ASN 11 Ca 0.03 -1.55 0.24 0.00 0.42 0.00 0.00 52.86 52.00 1su5 s ASN 11 Cb -0.17 -2.23 1.06 0.00 -1.45 0.00 0.00 41.25 38.45 1su5 s ASN 11 CO 0.04 -0.89 1.72 -0.50 -3.72 0.00 0.00 177.10 173.76 1su5 h TRP 12 N 8.95 0.00 0.00 0.43 6.55 -1.65 -3.38 115.95 126.84 1su5 h TRP 12 Ca -0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.55 1su5 h TRP 12 Cb 1.10 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.40 1su5 h TRP 12 CO 0.74 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 179.76 1su5 n LYS 13 N -2.30 0.00 -3.01 0.49 5.02 -1.26 -3.36 118.16 113.74 1su5 n LYS 13 Ca 0.01 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.86 1su5 n LYS 13 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 1su5 n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1su5 n MET 14 N 6.76 3.71 -3.86 1.97 0.00 -1.26 -4.24 117.12 120.20 1su5 n MET 14 Ca 0.00 -4.18 -0.11 0.00 -0.00 0.00 0.00 57.70 53.41 1su5 n MET 14 Cb 0.00 -2.73 -0.10 0.00 0.00 0.00 0.00 33.22 30.39 1su5 n MET 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1su5 s ASN 15 N 0.98 -0.02 0.00 6.12 0.01 -1.21 -5.14 114.94 115.68 1su5 s ASN 15 Ca 0.35 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.39 1su5 s ASN 15 Cb -0.02 0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.87 1su5 s ASN 15 CO -0.01 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.86 1su5 n GLY 16 N 1.62 2.33 2.12 0.66 0.00 -1.26 -4.82 105.19 105.84 1su5 n GLY 16 Ca -0.21 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 43.84 1su5 n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1su5 n ASP 17 N 0.00 2.35 -0.33 1.61 5.68 -1.26 -4.95 116.55 119.64 1su5 n ASP 17 Ca 0.00 -2.32 -0.02 0.00 -0.50 0.00 0.00 54.79 51.96 1su5 n ASP 17 Cb 0.00 0.33 0.14 0.00 -1.14 0.00 0.00 41.12 40.45 1su5 n ASP 17 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1su5 h LYS 18 N 0.00 1.23 -0.14 0.11 1.57 -1.98 -0.41 116.57 116.95 1su5 h LYS 18 Ca -0.23 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1su5 h LYS 18 Cb 0.75 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1su5 h LYS 18 CO 0.38 0.83 0.07 -0.22 -0.57 0.00 0.00 179.45 179.94 1su5 h LYS 19 N 1.27 0.20 0.24 3.15 3.64 -1.98 -1.62 116.57 121.48 1su5 h LYS 19 Ca 0.34 -0.03 -0.34 0.00 -1.27 0.00 0.00 60.65 59.35 1su5 h LYS 19 Cb -0.13 -0.04 0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1su5 h LYS 19 CO -0.07 0.24 -1.57 0.66 -2.27 0.00 0.00 179.45 176.44 1su5 h SER 20 N 0.12 0.78 -0.73 4.20 4.64 -1.90 -2.22 113.55 118.44 1su5 h SER 20 Ca 0.05 -0.93 -0.04 0.00 -0.47 0.00 0.00 61.79 60.41 1su5 h SER 20 Cb 0.10 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 1su5 h SER 20 CO -0.01 1.74 0.31 -0.07 -0.87 0.00 0.00 176.83 177.93 1su5 h LEU 21 N 0.13 1.00 -1.47 5.97 4.07 -1.21 -0.07 115.31 123.73 1su5 h LEU 21 Ca -0.29 -0.16 0.12 0.00 0.08 0.00 0.00 57.88 57.63 1su5 h LEU 21 Cb 2.15 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 43.58 1su5 h LEU 21 CO 0.25 0.88 0.50 1.23 -1.08 0.00 0.00 178.44 180.22 1su5 h GLY 22 N 1.04 0.86 1.30 0.83 0.00 -1.22 0.35 103.07 106.23 1su5 h GLY 22 Ca 0.25 -0.23 -0.27 0.00 0.00 0.00 0.00 47.33 47.07 1su5 h GLY 22 CO -0.02 0.11 -1.11 0.83 0.00 0.00 0.00 176.54 176.34 1su5 h GLU 23 N 0.56 0.61 -0.69 4.80 5.08 -0.96 -2.49 114.58 121.49 1su5 h GLU 23 Ca 0.36 -0.72 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1su5 h GLU 23 Cb 0.64 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1su5 h GLU 23 CO -0.13 1.31 0.41 1.25 -1.00 0.00 0.00 179.01 180.85 1su5 h LEU 24 N 0.31 0.82 -0.12 1.33 5.85 -0.19 -2.31 115.31 121.01 1su5 h LEU 24 Ca -0.14 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 1su5 h LEU 24 Cb 1.77 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 1su5 h LEU 24 CO 0.21 0.64 -0.17 0.40 -0.34 0.00 0.00 178.44 179.18 1su5 h ILE 25 N 0.93 1.37 -0.69 4.05 2.04 -0.38 -1.72 117.51 123.12 1su5 h ILE 25 Ca 0.25 -1.39 0.11 0.00 1.00 0.00 0.00 64.86 64.83 1su5 h ILE 25 Cb -0.03 2.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 1su5 h ILE 25 CO -0.05 0.40 0.28 -0.74 0.00 0.00 0.00 178.15 178.05 1su5 h HIS 26 N -0.08 0.48 -0.29 1.37 2.76 -1.44 0.49 115.15 118.43 1su5 h HIS 26 Ca 0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1su5 h HIS 26 Cb 0.73 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1su5 h HIS 26 CO 0.10 0.10 0.14 1.15 -1.30 0.00 0.00 177.93 178.12 1su5 h THR 27 N 0.45 1.15 -0.59 6.26 2.02 -1.29 -2.04 112.91 118.87 1su5 h THR 27 Ca 0.36 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 1su5 h THR 27 Cb 0.48 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1su5 h THR 27 CO -0.34 0.15 0.13 0.25 0.37 0.00 0.00 175.52 176.08 1su5 h LEU 28 N 0.34 0.90 -1.12 2.58 6.46 -0.58 -1.77 115.31 122.13 1su5 h LEU 28 Ca 0.10 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 1su5 h LEU 28 Cb 0.11 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 1su5 h LEU 28 CO -0.01 0.91 0.33 0.78 -0.62 0.00 0.00 178.44 179.83 1su5 h ASN 29 N 0.86 0.85 1.35 1.25 2.35 0.12 -2.84 115.58 119.52 1su5 h ASN 29 Ca 0.18 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1su5 h ASN 29 Cb 0.37 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1su5 h ASN 29 CO 0.00 0.71 -0.43 1.23 -1.65 0.00 0.00 177.43 177.30 1su5 h GLY 30 N 1.01 0.00 -3.28 2.83 0.00 -1.13 -3.48 103.07 99.02 1su5 h GLY 30 Ca 0.23 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.04 1su5 h GLY 30 CO -0.03 0.00 0.57 0.00 0.00 0.00 0.00 176.54 177.08 1su5 s ALA 31 N -3.22 3.20 -0.49 3.60 0.00 -0.69 -4.93 121.76 119.23 1su5 s ALA 31 Ca 0.05 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.88 1su5 s ALA 31 Cb 0.10 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1su5 s ALA 31 CO 0.70 -0.75 1.92 0.15 0.00 0.00 0.00 175.76 177.78 1su5 s LYS 32 N -2.29 2.82 -0.07 0.00 1.02 -1.26 -4.98 119.74 114.98 1su5 s LYS 32 Ca 0.58 1.04 -0.02 0.00 0.02 0.00 0.00 55.97 57.58 1su5 s LYS 32 Cb -0.35 -4.34 -0.03 0.00 -0.52 0.00 0.00 37.83 32.58 1su5 s LYS 32 CO 0.45 -2.48 0.02 -0.51 -0.92 0.00 0.00 175.35 171.91 1su5 s LEU 33 N 8.69 3.65 0.12 3.17 1.43 -1.26 -4.99 118.68 129.49 1su5 s LEU 33 Ca 0.76 0.15 -0.31 0.00 -1.03 0.00 0.00 54.13 53.71 1su5 s LEU 33 Cb -0.17 -1.89 -0.10 0.00 0.03 0.00 0.00 46.19 44.06 1su5 s LEU 33 CO 0.26 0.36 1.77 -0.55 0.23 0.00 0.00 176.35 178.43 1su5 s SER 34 N -1.02 6.47 0.52 2.29 0.15 -1.26 -4.85 113.70 115.99 1su5 s SER 34 Ca 0.15 2.70 0.22 0.00 0.70 0.00 0.00 55.95 59.72 1su5 s SER 34 Cb -0.11 -2.57 1.40 0.00 -1.71 0.00 0.00 66.02 63.03 1su5 s SER 34 CO 0.04 -0.97 2.12 0.00 1.20 0.00 0.00 173.24 175.63 1su5 h ALA 35 N 8.38 1.59 -0.55 5.45 0.00 -1.97 -2.54 119.26 129.62 1su5 h ALA 35 Ca -0.45 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.54 1su5 h ALA 35 Cb 1.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1su5 h ALA 35 CO 0.94 0.11 0.51 -0.44 0.00 0.00 0.00 179.25 180.37 1su5 h ASP 36 N 0.00 0.00 -3.26 0.00 3.45 -1.96 -3.44 116.42 111.21 1su5 h ASP 36 Ca -0.00 0.00 -0.60 0.00 0.43 0.00 0.00 57.03 56.86 1su5 h ASP 36 Cb 0.18 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 38.85 1su5 h ASP 36 CO 0.01 0.00 -0.38 -0.89 -1.57 0.00 0.00 179.24 176.41 1su5 s THR 37 N -4.72 5.34 -0.34 0.35 2.01 -0.96 -4.11 115.64 113.21 1su5 s THR 37 Ca -0.04 0.43 -0.24 0.00 0.31 0.00 0.00 61.69 62.15 1su5 s THR 37 Cb 0.17 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 69.11 1su5 s THR 37 CO 0.61 0.42 0.81 -0.70 -0.69 0.00 0.00 174.62 175.06 1su5 s GLU 38 N 0.36 3.84 -0.08 4.92 2.12 -0.16 -4.98 118.70 124.72 1su5 s GLU 38 Ca 0.14 0.45 -0.00 0.00 0.36 0.00 0.00 54.97 55.91 1su5 s GLU 38 Cb -0.12 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 1su5 s GLU 38 CO 0.02 -0.81 -0.05 0.08 -0.54 0.00 0.00 175.26 173.97 1su5 s VAL 39 N 3.11 3.90 0.01 3.70 1.01 -1.26 -0.85 120.40 130.02 1su5 s VAL 39 Ca 0.33 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1su5 s VAL 39 Cb -0.13 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1su5 s VAL 39 CO 0.16 0.59 -0.06 -0.69 0.00 0.00 0.00 175.10 175.09 1su5 s VAL 40 N -0.71 0.47 -0.17 2.92 1.01 -0.62 -1.24 120.40 122.07 1su5 s VAL 40 Ca 0.11 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1su5 s VAL 40 Cb -0.11 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.85 1su5 s VAL 40 CO 0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 175.10 174.93 1su5 s GLY 42 N 1.36 1.57 0.39 0.00 0.00 0.12 -0.80 107.32 109.97 1su5 s GLY 42 Ca 0.05 -1.81 -0.05 0.00 0.00 0.00 0.00 44.72 42.90 1su5 s GLY 42 CO -0.12 1.80 0.68 0.00 0.00 0.00 0.00 173.10 175.46 1su5 s ALA 43 N 3.36 3.50 0.54 3.20 0.00 -0.84 -1.96 121.76 129.56 1su5 s ALA 43 Ca 0.19 -0.54 -0.22 0.00 0.00 0.00 0.00 51.96 51.39 1su5 s ALA 43 Cb -0.19 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 1su5 s ALA 43 CO 0.11 -0.07 1.37 -2.30 0.00 0.00 0.00 175.76 174.87 1su5 n PRO 44 N -1.64 1.76 -0.32 0.00 -0.02 -1.26 -3.88 135.00 129.64 1su5 n PRO 44 Ca -0.01 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 1su5 n PRO 44 Cb 0.55 -2.58 0.26 0.00 -0.02 0.00 0.00 33.50 31.70 1su5 n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1su5 h SER 45 N 1.52 0.88 0.15 2.55 4.64 -1.95 0.06 113.55 121.40 1su5 h SER 45 Ca -0.51 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1su5 h SER 45 Cb 1.30 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1su5 h SER 45 CO 0.57 0.53 0.00 -0.29 -0.87 0.00 0.00 176.83 176.77 1su5 h ILE 46 N 0.98 0.00 -0.07 0.95 2.10 -2.03 -2.49 117.51 116.95 1su5 h ILE 46 Ca 0.43 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 66.30 1su5 h ILE 46 Cb 0.35 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1su5 h ILE 46 CO -0.19 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.66 1su5 n TYR 47 N -2.80 0.09 -0.05 2.19 0.53 -0.04 -4.80 117.16 112.29 1su5 n TYR 47 Ca -0.02 -0.19 -0.08 0.00 -1.02 0.00 0.00 57.90 56.59 1su5 n TYR 47 Cb 0.09 -0.01 -0.02 0.00 -1.03 0.00 0.00 39.34 38.37 1su5 n TYR 47 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 1su5 h LEU 48 N 1.13 -0.23 -0.60 7.72 3.38 -0.97 0.11 115.31 125.86 1su5 h LEU 48 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1su5 h LEU 48 Cb 0.39 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1su5 h LEU 48 CO 0.00 -0.08 0.38 -0.78 0.09 0.00 0.00 178.44 178.05 1su5 h ASP 49 N -0.01 0.71 -0.35 -0.43 -0.00 -1.85 -1.64 116.42 112.83 1su5 h ASP 49 Ca 0.11 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.03 57.09 1su5 h ASP 49 Cb 0.18 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.31 1su5 h ASP 49 CO -0.23 0.53 0.19 0.15 -0.00 0.00 0.00 179.24 179.88 1su5 h PHE 50 N 0.82 0.49 -0.58 0.28 3.04 -1.73 -2.03 116.94 117.22 1su5 h PHE 50 Ca 0.22 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1su5 h PHE 50 Cb -0.06 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.27 1su5 h PHE 50 CO -0.03 0.39 0.27 0.00 -2.02 0.00 0.00 178.31 176.93 1su5 h ALA 51 N 1.05 0.75 -0.70 2.41 0.00 -0.56 -1.93 119.26 120.28 1su5 h ALA 51 Ca 0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1su5 h ALA 51 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1su5 h ALA 51 CO -0.02 0.31 0.22 -0.09 0.00 0.00 0.00 179.25 179.67 1su5 h ARG 52 N 0.79 1.08 -0.63 0.00 9.65 -1.22 0.84 114.38 124.88 1su5 h ARG 52 Ca 0.20 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1su5 h ARG 52 Cb 0.13 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 1su5 h ARG 52 CO -0.02 0.93 0.41 1.96 2.80 0.00 0.00 179.97 186.05 1su5 h GLN 53 N 1.02 0.84 0.01 0.20 4.20 -1.13 -3.31 115.11 116.95 1su5 h GLN 53 Ca 0.22 -0.06 -0.30 0.00 0.06 0.00 0.00 58.65 58.58 1su5 h GLN 53 Cb 0.30 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1su5 h GLN 53 CO -0.01 0.57 -1.76 1.63 -0.67 0.00 0.00 178.83 178.58 1su5 n LYS 54 N -4.63 0.65 -2.56 1.46 4.76 -0.74 -4.84 118.16 112.25 1su5 n LYS 54 Ca 0.05 0.28 -0.36 0.00 -2.87 0.00 0.00 58.31 55.41 1su5 n LYS 54 Cb 0.03 -1.78 -0.04 0.00 -1.84 0.00 0.00 35.03 31.40 1su5 n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1su5 s LEU 55 N -6.16 4.11 0.46 -0.35 1.43 0.27 -4.89 118.68 113.55 1su5 s LEU 55 Ca -0.07 2.02 -0.25 0.00 -1.03 0.00 0.00 54.13 54.80 1su5 s LEU 55 Cb 0.08 -4.22 -0.08 0.00 0.03 0.00 0.00 46.19 42.00 1su5 s LEU 55 CO 0.82 -0.50 1.41 -0.62 0.23 0.00 0.00 176.35 177.68 1su5 s ASP 56 N -1.62 5.79 0.45 2.29 2.15 -1.26 -4.86 116.67 119.62 1su5 s ASP 56 Ca 0.59 2.88 0.31 0.00 0.43 0.00 0.00 52.55 56.75 1su5 s ASP 56 Cb -0.21 -2.65 1.56 0.00 -0.30 0.00 0.00 42.92 41.32 1su5 s ASP 56 CO 0.26 -1.23 1.94 0.00 -0.17 0.00 0.00 175.17 175.98 1su5 h ALA 57 N 2.19 1.00 0.00 3.66 0.00 -1.94 -0.59 119.26 123.58 1su5 h ALA 57 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1su5 h ALA 57 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1su5 h ALA 57 CO 0.60 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.72 1su5 h LYS 58 N 0.00 0.00 -5.52 0.00 1.57 -1.98 -3.42 116.57 107.22 1su5 h LYS 58 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1su5 h LYS 58 Cb 0.15 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.31 1su5 h LYS 58 CO 0.00 0.00 -0.58 0.42 -0.57 0.00 0.00 179.45 178.72 1su5 s ILE 59 N -3.23 4.67 0.48 1.86 1.01 -0.23 -4.69 121.20 121.08 1su5 s ILE 59 Ca 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 1su5 s ILE 59 Cb 0.10 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1su5 s ILE 59 CO 0.51 0.53 0.76 -0.83 0.00 0.00 0.00 174.94 175.91 1su5 s GLY 60 N -0.17 1.52 -0.07 6.18 0.00 -0.37 -4.75 107.32 109.66 1su5 s GLY 60 Ca 0.07 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.11 1su5 s GLY 60 CO 0.01 -0.53 -0.18 0.14 0.00 0.00 0.00 173.10 172.54 1su5 s VAL 61 N -2.71 1.60 -0.07 1.40 1.01 -1.26 -0.03 120.40 120.34 1su5 s VAL 61 Ca 0.48 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1su5 s VAL 61 Cb -0.10 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1su5 s VAL 61 CO 0.42 0.46 -0.17 0.00 0.00 0.00 0.00 175.10 175.81 1su5 s ALA 62 N 0.35 2.50 0.58 5.51 0.00 0.02 -2.00 121.76 128.72 1su5 s ALA 62 Ca -0.13 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 1su5 s ALA 62 Cb -0.16 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1su5 s ALA 62 CO 0.05 0.45 1.19 0.00 0.00 0.00 0.00 175.76 177.45 1su5 s ALA 63 N -0.33 2.58 -0.96 0.00 0.00 0.17 -1.98 121.76 121.25 1su5 s ALA 63 Ca 0.02 0.95 0.28 0.00 0.00 0.00 0.00 51.96 53.22 1su5 s ALA 63 Cb -0.13 -3.43 1.01 0.00 0.00 0.00 0.00 23.12 20.57 1su5 s ALA 63 CO 0.02 -1.06 1.78 1.04 0.00 0.00 0.00 175.76 177.55 1su5 n GLN 64 N -1.52 0.04 -3.69 0.00 6.02 -1.25 -0.36 117.38 116.61 1su5 n GLN 64 Ca 0.13 0.03 -0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1su5 n GLN 64 Cb 0.50 -1.54 -0.01 0.00 1.02 0.00 0.00 30.24 30.21 1su5 n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1su5 s ASN 65 N -3.21 -0.09 0.31 1.08 2.47 -1.23 -4.53 114.94 109.74 1su5 s ASN 65 Ca 0.13 -0.25 -0.11 0.00 0.42 0.00 0.00 52.86 53.05 1su5 s ASN 65 Cb 0.18 0.28 0.04 0.00 -1.45 0.00 0.00 41.25 40.30 1su5 s ASN 65 CO 0.58 -0.52 0.60 0.00 -3.72 0.00 0.00 177.10 174.04 1su5 n TYR 67 N -0.42 -0.57 0.27 0.00 9.36 0.08 -4.94 117.16 120.95 1su5 n TYR 67 Ca -0.06 -2.10 0.10 0.00 3.32 0.00 0.00 57.90 59.16 1su5 n TYR 67 Cb 0.46 -0.40 0.18 0.00 -0.63 0.00 0.00 39.34 38.96 1su5 n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1su5 n LYS 68 N -1.62 2.29 -4.11 2.98 2.85 -1.26 -4.52 118.16 114.76 1su5 n LYS 68 Ca -0.03 -2.10 -0.08 0.00 -1.05 0.00 0.00 58.31 55.05 1su5 n LYS 68 Cb 0.56 -1.44 -0.10 0.00 -0.65 0.00 0.00 35.03 33.40 1su5 n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1su5 s VAL 69 N -1.35 0.23 -0.09 0.58 -7.23 -1.26 -4.79 120.40 106.49 1su5 s VAL 69 Ca 0.33 -1.84 0.27 0.00 -1.81 0.00 0.00 61.98 58.92 1su5 s VAL 69 Cb 0.19 -1.66 0.31 0.00 0.56 0.00 0.00 36.38 35.79 1su5 s VAL 69 CO 0.27 -0.86 1.78 -0.65 -0.31 0.00 0.00 175.10 175.33 1su5 h PRO 70 N 3.07 0.00 -1.94 4.82 0.11 -1.98 -3.44 132.00 132.64 1su5 h PRO 70 Ca -0.34 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.85 1su5 h PRO 70 Cb 1.16 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.08 1su5 h PRO 70 CO 0.64 0.09 0.50 -1.59 -0.21 0.00 0.00 178.00 177.43 1su5 s LYS 71 N -3.45 0.73 0.00 1.05 -2.85 -1.26 -4.71 119.74 109.25 1su5 s LYS 71 Ca 0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.94 1su5 s LYS 71 Cb 0.08 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1su5 s LYS 71 CO 0.62 -0.28 0.00 0.41 0.10 0.00 0.00 175.35 176.20 1su5 n GLY 72 N 0.27 -0.79 2.99 0.59 0.00 -1.26 -5.01 105.19 101.98 1su5 n GLY 72 Ca -0.10 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1su5 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su5 n ALA 73 N -0.29 4.96 -3.37 4.61 0.00 -1.26 -4.73 120.51 120.43 1su5 n ALA 73 Ca 0.00 -3.92 -0.26 0.00 0.00 0.00 0.00 53.44 49.26 1su5 n ALA 73 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 19.45 15.87 1su5 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1su5 n PHE 74 N 6.49 0.05 -1.66 0.00 3.72 -1.26 -5.10 117.46 119.70 1su5 n PHE 74 Ca 0.50 -3.56 -0.46 0.00 -0.05 0.00 0.00 57.45 53.87 1su5 n PHE 74 Cb 0.41 -0.11 -0.04 0.00 -0.94 0.00 0.00 39.48 38.79 1su5 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1su5 n THR 75 N 2.06 0.16 0.00 4.37 -1.04 -1.26 -1.29 114.28 117.29 1su5 n THR 75 Ca 0.26 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1su5 n THR 75 Cb 0.48 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1su5 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1su5 n GLY 76 N 3.11 1.33 3.89 3.41 0.00 -1.26 -5.05 105.19 110.63 1su5 n GLY 76 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1su5 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1su5 s GLU 77 N -0.68 3.66 0.14 1.61 0.41 -0.41 -5.12 118.70 118.32 1su5 s GLU 77 Ca 0.00 0.00 0.10 0.00 -0.41 0.00 0.00 54.97 54.66 1su5 s GLU 77 Cb 0.00 -2.76 -0.04 0.00 -1.78 0.00 0.00 34.13 29.55 1su5 s GLU 77 CO 0.00 0.38 -0.24 0.96 -0.49 0.00 0.00 175.26 175.87 1su5 s ILE 78 N -1.79 2.08 0.26 -1.63 -4.36 -1.26 -5.02 121.20 109.49 1su5 s ILE 78 Ca 0.43 -1.79 0.10 0.00 -0.26 0.00 0.00 60.65 59.14 1su5 s ILE 78 Cb -0.12 -1.89 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 1su5 s ILE 78 CO 0.25 -0.05 -0.09 -0.94 0.24 0.00 0.00 174.94 174.36 1su5 s SER 79 N -2.24 4.17 0.27 4.36 1.04 -1.26 -0.74 113.70 119.30 1su5 s SER 79 Ca 0.14 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1su5 s SER 79 Cb -0.09 -0.64 0.62 0.00 0.10 0.00 0.00 66.02 66.02 1su5 s SER 79 CO 0.07 0.03 1.70 -0.65 0.98 0.00 0.00 173.24 175.37 1su5 h PRO 80 N 2.17 0.38 -0.93 4.02 0.11 -1.84 -1.30 132.00 134.61 1su5 h PRO 80 Ca -0.43 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.79 1su5 h PRO 80 Cb 1.25 -0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.18 1su5 h PRO 80 CO 0.59 0.25 0.55 0.00 -0.21 0.00 0.00 178.00 179.18 1su5 h ALA 81 N 1.66 1.43 -0.36 -0.75 0.00 -1.92 0.13 119.26 119.44 1su5 h ALA 81 Ca 0.50 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.38 1su5 h ALA 81 Cb 0.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1su5 h ALA 81 CO -0.50 0.06 -0.13 0.52 0.00 0.00 0.00 179.25 179.20 1su5 h MET 82 N 0.81 0.73 -0.35 0.00 2.86 -1.58 -0.35 114.93 117.05 1su5 h MET 82 Ca 0.49 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1su5 h MET 82 Cb 0.60 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1su5 h MET 82 CO -0.32 0.90 0.18 0.82 1.06 0.00 0.00 176.91 179.55 1su5 h ILE 83 N 0.52 1.15 -0.70 -1.22 2.04 -0.42 -1.91 117.51 116.97 1su5 h ILE 83 Ca 0.09 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1su5 h ILE 83 Cb 0.65 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1su5 h ILE 83 CO 0.04 0.16 0.39 0.11 0.00 0.00 0.00 178.15 178.85 1su5 h LYS 84 N 0.43 0.96 -0.19 2.37 1.57 -0.80 -1.99 116.57 118.91 1su5 h LYS 84 Ca 0.12 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1su5 h LYS 84 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1su5 h LYS 84 CO -0.02 0.69 -0.11 0.22 -0.57 0.00 0.00 179.45 179.67 1su5 h ASP 85 N 0.97 0.28 -0.36 0.86 3.58 -0.28 0.29 116.42 121.76 1su5 h ASP 85 Ca 0.25 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1su5 h ASP 85 Cb 0.01 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1su5 h ASP 85 CO -0.04 0.43 0.00 2.30 -2.88 0.00 0.00 179.24 179.04 1su5 n ILE 86 N -4.27 0.47 -0.51 2.25 -6.64 -0.94 -4.94 119.36 104.78 1su5 n ILE 86 Ca -0.00 -0.54 0.00 0.00 -1.77 0.00 0.00 62.75 60.44 1su5 n ILE 86 Cb 0.27 0.39 0.00 0.00 -1.44 0.00 0.00 39.64 38.86 1su5 n ILE 86 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1su5 n GLY 87 N 1.22 0.71 3.87 3.28 0.00 0.09 -4.75 105.19 109.61 1su5 n GLY 87 Ca 0.16 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1su5 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su5 s ALA 88 N -2.00 3.64 -0.41 4.61 0.00 -0.76 -4.94 121.76 121.91 1su5 s ALA 88 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.70 1su5 s ALA 88 Cb 0.00 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.79 1su5 s ALA 88 CO 0.00 0.53 0.71 0.00 0.00 0.00 0.00 175.76 177.00 1su5 n ALA 89 N 0.50 2.40 -2.49 0.00 0.00 -1.11 -3.57 120.51 116.25 1su5 n ALA 89 Ca -0.04 -0.63 -0.16 0.00 0.00 0.00 0.00 53.44 52.61 1su5 n ALA 89 Cb 0.52 -0.12 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 1su5 n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1su5 s TRP 90 N -0.44 1.19 -0.01 0.00 0.52 -0.85 -0.34 118.94 119.01 1su5 s TRP 90 Ca 0.05 -0.62 0.01 0.00 0.02 0.00 0.00 56.10 55.56 1su5 s TRP 90 Cb 0.03 -0.64 0.01 0.00 -1.15 0.00 0.00 33.47 31.72 1su5 s TRP 90 CO 0.05 0.06 -0.02 0.54 0.02 0.00 0.00 176.95 177.59 1su5 s VAL 91 N -2.34 0.21 -0.08 4.03 0.11 -0.85 -0.65 120.40 120.83 1su5 s VAL 91 Ca 0.07 -0.07 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 1su5 s VAL 91 Cb -0.04 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1su5 s VAL 91 CO 0.01 0.08 0.71 -0.63 -3.33 0.00 0.00 175.10 171.94 1su5 s ILE 92 N 0.21 5.04 0.04 7.04 1.01 0.51 -1.76 121.20 133.28 1su5 s ILE 92 Ca -0.02 1.44 0.05 0.00 0.00 0.00 0.00 60.65 62.12 1su5 s ILE 92 Cb -0.04 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1su5 s ILE 92 CO -0.01 0.23 -0.14 -0.76 0.00 0.00 0.00 174.94 174.27 1su5 s LEU 93 N 0.94 2.17 -1.07 2.97 1.43 -0.46 -3.48 118.68 121.19 1su5 s LEU 93 Ca 0.37 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1su5 s LEU 93 Cb -0.18 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.46 1su5 s LEU 93 CO 0.17 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1su5 n GLY 94 N 1.93 0.54 3.70 -3.19 0.00 -1.26 -0.77 105.19 106.13 1su5 n GLY 94 Ca -0.18 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 1su5 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1su5 n HIS 95 N -3.38 1.83 -0.31 1.61 -0.00 -1.26 -4.29 115.22 109.42 1su5 n HIS 95 Ca -0.12 0.45 0.16 0.00 0.46 0.00 0.00 57.72 58.67 1su5 n HIS 95 Cb 0.49 -2.30 0.35 0.00 -0.12 0.00 0.00 29.99 28.41 1su5 n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1su5 h SER 96 N 1.30 0.34 -0.07 0.26 0.87 -1.91 0.52 113.55 114.86 1su5 h SER 96 Ca -0.49 0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.14 1su5 h SER 96 Cb 1.32 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.42 1su5 h SER 96 CO 0.56 -0.05 -0.26 -0.33 -0.53 0.00 0.00 176.83 176.22 1su5 h GLU 97 N 0.37 0.51 -0.60 2.24 5.08 -1.96 0.02 114.58 120.23 1su5 h GLU 97 Ca 0.60 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.71 1su5 h GLU 97 Cb 1.21 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1su5 h GLU 97 CO -0.56 0.73 0.17 0.00 -1.00 0.00 0.00 179.01 178.35 1su5 h ARG 98 N 0.45 0.94 -0.01 2.33 2.47 -1.26 -1.74 114.38 117.55 1su5 h ARG 98 Ca 0.06 -0.21 -0.21 0.00 -1.26 0.00 0.00 59.98 58.36 1su5 h ARG 98 Cb 0.69 -0.13 0.02 0.00 -1.65 0.00 0.00 29.97 28.89 1su5 h ARG 98 CO 0.05 0.85 -0.81 0.00 0.56 0.00 0.00 179.97 180.62 1su5 h ARG 99 N 0.86 0.56 0.00 0.04 3.08 -1.02 0.02 114.38 117.93 1su5 h ARG 99 Ca 0.19 -0.60 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 1su5 h ARG 99 Cb 0.31 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1su5 h ARG 99 CO -0.00 1.21 -1.51 0.72 -1.07 0.00 0.00 179.97 179.32 1su5 n HIS 100 N -4.04 0.00 -0.11 3.04 8.25 -0.04 -2.67 115.22 119.66 1su5 n HIS 100 Ca -0.11 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.19 1su5 n HIS 100 Cb 0.77 -0.26 -0.13 0.00 1.12 0.00 0.00 29.99 31.49 1su5 n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1su5 n VAL 101 N -1.90 1.50 0.20 1.59 0.31 -0.71 -4.68 118.33 114.65 1su5 n VAL 101 Ca -0.02 -0.64 0.05 0.00 -0.01 0.00 0.00 64.34 63.71 1su5 n VAL 101 Cb 0.30 -1.25 0.08 0.00 -0.91 0.00 0.00 33.84 32.07 1su5 n VAL 101 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1su5 n PHE 102 N -3.17 0.17 -1.66 3.52 3.72 -0.89 -5.01 117.46 114.14 1su5 n PHE 102 Ca -0.41 -0.20 -0.07 0.00 -0.05 0.00 0.00 57.45 56.73 1su5 n PHE 102 Cb 1.03 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 39.55 1su5 n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1su5 n GLY 103 N 0.54 0.50 3.71 1.37 0.00 -0.56 -4.92 105.19 105.84 1su5 n GLY 103 Ca 0.08 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1su5 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1su5 s GLU 104 N -3.44 4.43 0.64 1.61 2.02 -0.11 -4.95 118.70 118.90 1su5 s GLU 104 Ca 0.00 1.70 -0.03 0.00 0.02 0.00 0.00 54.97 56.66 1su5 s GLU 104 Cb 0.00 -3.41 0.05 0.00 0.10 0.00 0.00 34.13 30.87 1su5 s GLU 104 CO 0.00 -0.27 0.92 -1.54 0.02 0.00 0.00 175.26 174.39 1su5 s SER 105 N 1.15 4.98 0.14 -0.19 1.04 -1.26 -4.33 113.70 115.22 1su5 s SER 105 Ca 0.57 0.23 -0.15 0.00 0.48 0.00 0.00 55.95 57.08 1su5 s SER 105 Cb -0.27 -0.97 0.01 0.00 0.10 0.00 0.00 66.02 64.89 1su5 s SER 105 CO 0.27 -1.43 1.70 0.44 0.98 0.00 0.00 173.24 175.21 1su5 h ASP 106 N -0.33 0.58 -0.38 7.02 3.32 -1.98 -1.13 116.42 123.52 1su5 h ASP 106 Ca -0.43 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 56.54 1su5 h ASP 106 Cb 1.31 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.63 1su5 h ASP 106 CO 0.56 0.58 -0.10 -0.08 -1.72 0.00 0.00 179.24 178.48 1su5 h GLU 107 N 0.55 -0.00 -0.04 3.56 4.81 -1.95 0.19 114.58 121.70 1su5 h GLU 107 Ca 0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1su5 h GLU 107 Cb 0.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1su5 h GLU 107 CO -0.01 -0.00 0.00 1.25 -0.73 0.00 0.00 179.01 179.52 1su5 h LEU 108 N -0.00 0.06 -0.85 1.64 5.85 -1.93 -2.02 115.31 118.06 1su5 h LEU 108 Ca 0.18 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1su5 h LEU 108 Cb 0.28 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1su5 h LEU 108 CO -0.39 0.32 0.52 0.40 -0.34 0.00 0.00 178.44 178.95 1su5 h ILE 109 N -0.20 1.02 -0.75 4.05 2.04 -1.04 -0.95 117.51 121.68 1su5 h ILE 109 Ca 0.01 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1su5 h ILE 109 Cb 0.28 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 1su5 h ILE 109 CO 0.00 0.17 0.47 1.23 0.00 0.00 0.00 178.15 180.02 1su5 h GLY 110 N 0.93 1.07 1.23 5.37 0.00 -0.43 -0.76 103.07 110.50 1su5 h GLY 110 Ca 0.38 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 47.11 1su5 h GLY 110 CO -0.19 0.41 -0.50 1.46 0.00 0.00 0.00 176.54 177.73 1su5 h GLN 111 N 1.03 0.82 -0.65 4.80 4.20 -0.58 -2.27 115.11 122.46 1su5 h GLN 111 Ca 0.27 -0.49 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1su5 h GLN 111 Cb -0.07 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1su5 h GLN 111 CO -0.05 1.12 0.38 0.87 -0.67 0.00 0.00 178.83 180.47 1su5 h LYS 112 N 0.64 0.89 -0.16 1.46 1.57 -0.74 -1.53 116.57 118.71 1su5 h LYS 112 Ca 0.03 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1su5 h LYS 112 Cb 1.08 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1su5 h LYS 112 CO 0.11 0.65 0.06 0.28 -0.57 0.00 0.00 179.45 179.98 1su5 h VAL 113 N 0.89 1.16 -0.99 0.50 2.07 -1.05 0.03 116.25 118.86 1su5 h VAL 113 Ca 0.23 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.35 1su5 h VAL 113 Cb 0.00 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1su5 h VAL 113 CO -0.04 0.15 0.63 0.00 0.02 0.00 0.00 177.57 178.33 1su5 h ALA 114 N 0.89 1.50 0.11 1.67 0.00 -1.28 -1.65 119.26 120.51 1su5 h ALA 114 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1su5 h ALA 114 Cb 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1su5 h ALA 114 CO -0.00 0.30 -0.05 1.25 0.00 0.00 0.00 179.25 180.74 1su5 h HIS 115 N 1.04 -0.13 -0.39 0.00 6.17 -1.01 -2.32 115.15 118.51 1su5 h HIS 115 Ca 0.46 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.60 1su5 h HIS 115 Cb 0.37 0.04 -0.05 0.00 2.52 0.00 0.00 27.41 30.29 1su5 h HIS 115 CO -0.00 0.37 0.08 0.00 0.71 0.00 0.00 177.93 179.09 1su5 h ALA 116 N -0.21 0.42 -0.69 5.26 0.00 -0.96 0.42 119.26 123.50 1su5 h ALA 116 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1su5 h ALA 116 Cb 0.56 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1su5 h ALA 116 CO 0.02 -0.32 0.39 -0.07 0.00 0.00 0.00 179.25 179.28 1su5 h LEU 117 N 0.21 0.86 -1.66 0.00 3.38 -1.41 -0.37 115.31 116.32 1su5 h LEU 117 Ca 0.19 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1su5 h LEU 117 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1su5 h LEU 117 CO -0.24 0.69 -0.20 0.00 0.09 0.00 0.00 178.44 178.79 1su5 h ALA 118 N 1.20 1.48 -0.00 1.53 0.00 -0.77 -1.70 119.26 121.00 1su5 h ALA 118 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1su5 h ALA 118 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1su5 h ALA 118 CO -0.04 0.25 -0.26 0.39 0.00 0.00 0.00 179.25 179.59 1su5 n GLU 119 N -4.02 0.20 -0.30 0.00 -0.58 0.07 -4.93 120.64 111.08 1su5 n GLU 119 Ca -0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1su5 n GLU 119 Cb 0.28 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1su5 n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1su5 n GLY 120 N 1.44 0.83 3.86 0.62 0.00 -0.63 -4.96 105.19 106.35 1su5 n GLY 120 Ca 0.08 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1su5 n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su5 s LEU 121 N 0.00 3.82 0.32 0.99 1.43 -0.24 -4.99 118.68 120.02 1su5 s LEU 121 Ca 0.00 1.28 -0.13 0.00 -1.03 0.00 0.00 54.13 54.25 1su5 s LEU 121 Cb 0.00 -4.16 -0.08 0.00 0.03 0.00 0.00 46.19 41.98 1su5 s LEU 121 CO 0.00 -0.41 0.71 -0.83 0.23 0.00 0.00 176.35 176.04 1su5 s GLY 122 N -2.96 2.23 -0.06 -3.19 0.00 0.54 -4.10 107.32 99.78 1su5 s GLY 122 Ca 0.54 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 45.23 1su5 s GLY 122 CO 0.28 0.11 -0.21 0.14 0.00 0.00 0.00 173.10 173.42 1su5 s VAL 123 N -2.04 1.76 -0.59 1.40 1.01 -0.05 -2.01 120.40 119.88 1su5 s VAL 123 Ca 0.52 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 1su5 s VAL 123 Cb -0.10 -1.51 0.15 0.00 0.00 0.00 0.00 36.38 34.92 1su5 s VAL 123 CO 0.21 0.49 0.52 -0.63 0.00 0.00 0.00 175.10 175.70 1su5 s ILE 124 N 0.06 5.07 -0.25 2.22 1.01 -0.72 -1.23 121.20 127.36 1su5 s ILE 124 Ca -0.07 -1.78 -0.21 0.00 0.00 0.00 0.00 60.65 58.59 1su5 s ILE 124 Cb -0.14 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 1su5 s ILE 124 CO 0.04 -0.89 0.65 0.00 0.00 0.00 0.00 174.94 174.74 1su5 s ALA 125 N 1.23 3.61 -0.07 9.38 0.00 -0.61 -1.35 121.76 133.94 1su5 s ALA 125 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1su5 s ALA 125 Cb -0.25 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1su5 s ALA 125 CO -0.00 -0.78 0.13 0.00 0.00 0.00 0.00 175.76 175.10 1su5 s ILE 127 N -1.12 0.04 0.00 0.00 -4.36 0.38 -4.64 121.20 111.50 1su5 s ILE 127 Ca 0.19 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 1su5 s ILE 127 Cb -0.12 -2.27 0.00 0.00 1.25 0.00 0.00 42.46 41.32 1su5 s ILE 127 CO 0.09 -0.20 0.00 0.61 0.24 0.00 0.00 174.94 175.69 1su5 n GLY 128 N -0.20 3.91 3.88 6.27 0.00 -1.26 -0.47 105.19 117.31 1su5 n GLY 128 Ca -0.02 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1su5 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1su5 s GLU 129 N -1.19 3.72 0.74 1.61 1.03 -1.26 -4.80 118.70 118.55 1su5 s GLU 129 Ca 0.00 0.10 -0.11 0.00 0.03 0.00 0.00 54.97 55.00 1su5 s GLU 129 Cb 0.00 -2.88 0.04 0.00 -0.80 0.00 0.00 34.13 30.49 1su5 s GLU 129 CO 0.00 0.48 1.08 0.15 -1.33 0.00 0.00 175.26 175.63 1su5 s LYS 130 N -2.35 2.54 0.17 -4.83 1.02 -1.26 -2.50 119.74 112.53 1su5 s LYS 130 Ca 0.39 0.94 -0.15 0.00 0.02 0.00 0.00 55.97 57.17 1su5 s LYS 130 Cb -0.13 -1.95 0.13 0.00 -0.52 0.00 0.00 37.83 35.36 1su5 s LYS 130 CO 0.21 -1.38 1.70 1.25 -0.92 0.00 0.00 175.35 176.21 1su5 h LEU 131 N -0.92 -0.16 -1.56 3.17 5.85 -1.98 -1.44 115.31 118.27 1su5 h LEU 131 Ca -0.45 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1su5 h LEU 131 Cb 1.23 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1su5 h LEU 131 CO 0.56 -0.05 0.09 -2.24 -0.34 0.00 0.00 178.44 176.47 1su5 h ASP 132 N 0.11 0.34 -0.08 1.25 2.03 -2.00 -1.04 116.42 117.04 1su5 h ASP 132 Ca 0.21 -0.03 -0.14 0.00 -0.73 0.00 0.00 57.03 56.34 1su5 h ASP 132 Cb 0.30 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 1su5 h ASP 132 CO -0.34 0.33 -0.43 -0.33 -1.03 0.00 0.00 179.24 177.44 1su5 h GLU 133 N 0.39 0.62 -0.73 4.15 5.08 -1.81 -2.55 114.58 119.72 1su5 h GLU 133 Ca 0.10 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1su5 h GLU 133 Cb 0.11 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1su5 h GLU 133 CO -0.01 0.93 0.42 -0.09 -1.00 0.00 0.00 179.01 179.26 1su5 h ARG 134 N 0.50 1.01 0.00 2.33 2.43 -0.14 -2.36 114.38 118.14 1su5 h ARG 134 Ca 0.04 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 1su5 h ARG 134 Cb 0.95 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1su5 h ARG 134 CO 0.09 0.73 -0.76 1.05 -1.51 0.00 0.00 179.97 179.57 1su5 h GLU 135 N 1.00 0.00 0.00 0.20 4.11 -1.47 -2.61 114.58 115.82 1su5 h GLU 135 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1su5 h GLU 135 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1su5 h GLU 135 CO -0.05 0.50 0.00 0.00 0.07 0.00 0.00 179.01 179.53 1su5 n ALA 136 N -2.28 1.52 -2.15 1.06 0.00 -0.96 -4.90 120.51 112.81 1su5 n ALA 136 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1su5 n ALA 136 Cb 0.78 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 19.06 1su5 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1su5 n GLY 137 N -0.44 0.19 0.55 0.00 0.00 -0.98 -4.95 105.19 99.56 1su5 n GLY 137 Ca 0.03 -0.66 0.06 0.00 0.00 0.00 0.00 46.02 45.46 1su5 n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1su5 n ILE 138 N -3.94 1.68 -0.05 -0.61 -5.35 -0.91 -4.76 119.36 105.43 1su5 n ILE 138 Ca -0.06 -2.45 -0.08 0.00 -0.27 0.00 0.00 62.75 59.90 1su5 n ILE 138 Cb 0.54 -0.03 -0.01 0.00 -1.74 0.00 0.00 39.64 38.40 1su5 n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1su5 h THR 139 N 1.89 0.49 0.16 7.28 2.02 -1.84 -1.55 112.91 121.36 1su5 h THR 139 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1su5 h THR 139 Cb 1.14 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1su5 h THR 139 CO 0.01 0.00 -0.46 -0.08 0.37 0.00 0.00 175.52 175.36 1su5 h GLU 140 N -0.18 -0.70 -0.80 6.66 4.81 -1.95 -1.70 114.58 120.72 1su5 h GLU 140 Ca 0.14 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.58 1su5 h GLU 140 Cb 0.39 0.16 -0.11 0.00 0.63 0.00 0.00 28.75 29.82 1su5 h GLU 140 CO -0.35 -0.47 0.32 -0.22 -0.73 0.00 0.00 179.01 177.56 1su5 h LYS 141 N -0.73 0.41 0.22 1.92 3.64 -1.83 -0.64 116.57 119.57 1su5 h LYS 141 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1su5 h LYS 141 Cb 0.73 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1su5 h LYS 141 CO -0.24 0.27 -0.11 0.28 -2.27 0.00 0.00 179.45 177.38 1su5 h VAL 142 N 0.42 0.74 -0.28 2.00 2.07 -0.93 -0.50 116.25 119.76 1su5 h VAL 142 Ca 0.46 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1su5 h VAL 142 Cb 0.77 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1su5 h VAL 142 CO -0.46 0.17 0.02 -0.37 0.02 0.00 0.00 177.57 176.95 1su5 h VAL 143 N -0.85 1.16 -0.04 2.57 -1.51 -1.17 0.06 116.25 116.47 1su5 h VAL 143 Ca -0.03 -0.62 -0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1su5 h VAL 143 Cb 0.51 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1su5 h VAL 143 CO 0.05 0.21 0.01 -0.26 -1.23 0.00 0.00 177.57 176.36 1su5 h PHE 144 N 0.41 0.06 -0.48 5.19 0.05 -1.09 0.15 116.94 121.23 1su5 h PHE 144 Ca 0.09 -0.01 0.06 0.00 3.82 0.00 0.00 57.97 61.94 1su5 h PHE 144 Cb 0.24 -0.02 -0.05 0.00 2.00 0.00 0.00 35.95 38.12 1su5 h PHE 144 CO 0.01 0.23 0.18 1.49 -0.18 0.00 0.00 178.31 180.03 1su5 h GLU 145 N -0.13 0.35 -0.49 1.51 4.81 -0.35 0.11 114.58 120.39 1su5 h GLU 145 Ca 0.01 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1su5 h GLU 145 Cb 0.20 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1su5 h GLU 145 CO -0.00 0.23 -0.09 1.96 -0.73 0.00 0.00 179.01 180.38 1su5 h GLN 146 N 0.36 0.89 -0.19 1.92 4.20 -0.92 -1.89 115.11 119.47 1su5 h GLN 146 Ca 0.22 -0.30 -0.16 0.00 0.06 0.00 0.00 58.65 58.48 1su5 h GLN 146 Cb 0.22 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1su5 h GLN 146 CO -0.22 0.94 -0.53 1.15 -0.67 0.00 0.00 178.83 179.50 1su5 h THR 147 N 0.80 1.32 -0.73 -0.54 2.02 -0.16 -2.69 112.91 112.93 1su5 h THR 147 Ca 0.13 -1.77 -0.06 0.00 0.77 0.00 0.00 66.41 65.49 1su5 h THR 147 Cb 0.61 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 1su5 h THR 147 CO 0.04 0.55 0.24 0.50 0.37 0.00 0.00 175.52 177.22 1su5 h LYS 148 N 0.43 1.13 -0.15 6.66 3.64 -0.57 0.30 116.57 128.01 1su5 h LYS 148 Ca 0.01 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.05 1su5 h LYS 148 Cb 1.06 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1su5 h LYS 148 CO 0.10 0.96 -0.35 0.00 -2.27 0.00 0.00 179.45 177.89 1su5 h ALA 149 N 1.12 1.12 0.29 5.00 0.00 -1.19 0.81 119.26 126.41 1su5 h ALA 149 Ca 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1su5 h ALA 149 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1su5 h ALA 149 CO -0.01 0.57 -0.14 0.82 0.00 0.00 0.00 179.25 180.49 1su5 h ILE 150 N 0.27 0.55 -0.48 0.00 2.04 -1.23 -3.35 117.51 115.32 1su5 h ILE 150 Ca 0.03 -0.82 0.13 0.00 1.00 0.00 0.00 64.86 65.20 1su5 h ILE 150 Cb 0.75 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1su5 h ILE 150 CO 0.06 0.13 0.34 0.00 0.00 0.00 0.00 178.15 178.68 1su5 h ALA 151 N -0.54 2.41 0.00 1.87 0.00 0.10 0.34 119.26 123.44 1su5 h ALA 151 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1su5 h ALA 151 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1su5 h ALA 151 CO 0.07 -0.55 0.00 -0.44 0.00 0.00 0.00 179.25 178.33 1su5 h ASP 152 N 0.03 0.00 0.00 0.00 5.19 -0.98 -2.65 116.42 118.01 1su5 h ASP 152 Ca 0.23 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1su5 h ASP 152 Cb 0.87 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.38 1su5 h ASP 152 CO -0.01 0.00 -0.13 0.59 -3.12 0.00 0.00 179.24 176.57 1su5 n ASN 153 N -2.32 2.16 -4.04 6.45 3.02 0.11 -4.97 115.26 115.68 1su5 n ASN 153 Ca -0.00 -3.26 -0.32 0.00 -0.03 0.00 0.00 54.58 50.98 1su5 n ASN 153 Cb 0.12 -0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 38.69 1su5 n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1su5 s VAL 154 N -2.91 2.04 -0.11 2.41 1.01 -1.00 -3.72 120.40 118.12 1su5 s VAL 154 Ca 0.33 -1.60 0.16 0.00 0.00 0.00 0.00 61.98 60.87 1su5 s VAL 154 Cb 0.30 -2.21 -0.15 0.00 0.00 0.00 0.00 36.38 34.32 1su5 s VAL 154 CO 0.01 -0.09 0.79 0.29 0.00 0.00 0.00 175.10 176.10 1su5 n LYS 155 N 4.47 0.62 -3.60 2.72 5.02 -1.26 -4.78 118.16 121.34 1su5 n LYS 155 Ca -0.12 0.23 -0.29 0.00 -2.02 0.00 0.00 58.31 56.11 1su5 n LYS 155 Cb 0.42 -1.80 -0.15 0.00 -0.02 0.00 0.00 35.03 33.48 1su5 n LYS 155 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1su5 s ASP 156 N -5.82 3.61 0.00 4.39 3.68 -1.26 -5.01 116.67 116.26 1su5 s ASP 156 Ca -0.03 -1.34 0.15 0.00 2.13 0.00 0.00 52.55 53.46 1su5 s ASP 156 Cb 0.09 -0.50 0.71 0.00 -1.45 0.00 0.00 42.92 41.76 1su5 s ASP 156 CO 0.81 -0.42 1.47 0.79 0.13 0.00 0.00 175.17 177.94 1su5 n TRP 157 N 5.13 0.00 0.31 -5.34 7.02 -1.26 -3.75 117.44 119.55 1su5 n TRP 157 Ca -0.05 0.00 0.21 0.00 -1.02 0.00 0.00 57.50 56.64 1su5 n TRP 157 Cb 0.42 -0.41 1.10 0.00 -2.42 0.00 0.00 31.31 30.00 1su5 n TRP 157 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1su5 h SER 158 N 0.00 0.00 -0.12 -0.99 4.64 -1.97 -2.25 113.55 112.85 1su5 h SER 158 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1su5 h SER 158 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1su5 h SER 158 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1su5 n LYS 159 N -2.93 2.77 -4.41 4.77 4.76 -1.25 -5.00 118.16 116.87 1su5 n LYS 159 Ca -0.03 -1.87 -0.32 0.00 -2.87 0.00 0.00 58.31 53.22 1su5 n LYS 159 Cb 0.07 -1.19 -0.10 0.00 -1.84 0.00 0.00 35.03 31.97 1su5 n LYS 159 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1su5 s VAL 160 N -1.33 3.69 -0.10 -0.18 1.01 -0.85 -0.87 120.40 121.77 1su5 s VAL 160 Ca 0.13 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1su5 s VAL 160 Cb 0.09 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1su5 s VAL 160 CO 0.06 0.36 -0.11 -0.69 0.00 0.00 0.00 175.10 174.72 1su5 s VAL 161 N -1.04 1.17 0.15 2.92 1.01 -0.37 -4.51 120.40 119.73 1su5 s VAL 161 Ca 0.18 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1su5 s VAL 161 Cb -0.11 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 35.07 1su5 s VAL 161 CO 0.09 0.38 0.99 -0.76 0.00 0.00 0.00 175.10 175.80 1su5 s LEU 162 N 1.30 4.52 -0.26 3.92 1.43 -0.31 -1.58 118.68 127.71 1su5 s LEU 162 Ca -0.02 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.99 1su5 s LEU 162 Cb -0.14 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.55 1su5 s LEU 162 CO -0.04 -0.06 -0.05 0.00 0.23 0.00 0.00 176.35 176.43 1su5 s ALA 163 N -0.27 2.22 -0.50 4.21 0.00 0.37 -0.55 121.76 127.25 1su5 s ALA 163 Ca 0.46 -1.63 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 1su5 s ALA 163 Cb -0.25 -1.55 0.04 0.00 0.00 0.00 0.00 23.12 21.35 1su5 s ALA 163 CO 0.31 -1.28 0.80 -0.47 0.00 0.00 0.00 175.76 175.13 1su5 s TYR 164 N 1.27 2.93 -0.34 0.00 5.04 -0.18 -0.47 117.35 125.61 1su5 s TYR 164 Ca -0.04 -0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.56 1su5 s TYR 164 Cb -0.19 -3.77 0.11 0.00 0.35 0.00 0.00 41.96 38.46 1su5 s TYR 164 CO -0.07 -1.12 0.11 -1.83 -1.34 0.00 0.00 175.55 171.30 1su5 s GLU 165 N 3.38 0.99 0.29 4.97 -1.05 0.38 -1.13 118.70 126.53 1su5 s GLU 165 Ca 0.27 -1.41 -0.30 0.00 -0.15 0.00 0.00 54.97 53.38 1su5 s GLU 165 Cb -0.14 -2.35 -0.11 0.00 -0.44 0.00 0.00 34.13 31.10 1su5 s GLU 165 CO 0.19 -1.00 1.51 -1.25 0.95 0.00 0.00 175.26 175.66 1su5 s PRO 166 N 1.25 4.18 0.27 -4.83 0.04 -1.25 -4.22 135.00 130.44 1su5 s PRO 166 Ca 0.11 2.47 -0.03 0.00 0.04 0.00 0.00 61.00 63.59 1su5 s PRO 166 Cb -0.19 -3.05 0.37 0.00 0.04 0.00 0.00 34.50 31.68 1su5 s PRO 166 CO -0.17 -0.53 1.92 0.28 0.04 0.00 0.00 177.00 178.54 1su5 h VAL 167 N 3.36 1.18 0.00 -0.36 2.07 -1.80 -1.41 116.25 119.30 1su5 h VAL 167 Ca -0.47 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1su5 h VAL 167 Cb 1.22 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1su5 h VAL 167 CO 0.76 0.22 0.00 -2.67 0.02 0.00 0.00 177.57 175.90 1su5 n TRP 168 N -4.43 0.00 0.50 1.57 4.27 -1.26 -2.48 117.44 115.60 1su5 n TRP 168 Ca 0.13 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.82 1su5 n TRP 168 Cb 0.08 -0.47 -0.11 0.00 -1.36 0.00 0.00 31.31 29.45 1su5 n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1su5 n ALA 169 N -1.47 3.62 -2.64 -1.67 0.00 -0.54 -4.69 120.51 113.13 1su5 n ALA 169 Ca 0.03 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 1su5 n ALA 169 Cb 0.12 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 1su5 n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1su5 s ILE 170 N -2.80 4.55 0.00 0.00 1.01 -1.04 -1.98 121.20 120.95 1su5 s ILE 170 Ca 0.02 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.39 1su5 s ILE 170 Cb 0.12 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1su5 s ILE 170 CO 0.69 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1su5 n GLY 171 N 3.84 0.25 0.00 6.18 0.00 -1.26 -4.86 105.19 109.34 1su5 n GLY 171 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1su5 n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1su5 n THR 172 N -2.44 0.02 -1.33 2.61 -2.24 -1.24 -4.94 114.28 104.73 1su5 n THR 172 Ca 0.00 -0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 1su5 n THR 172 Cb 0.25 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 1su5 n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su5 n GLY 173 N 1.47 1.17 2.83 3.38 0.00 -1.26 -4.97 105.19 107.81 1su5 n GLY 173 Ca 0.03 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1su5 n GLY 173 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1su5 n ASN 174 N -0.63 2.85 -4.86 1.61 3.02 -1.26 -5.08 115.26 110.91 1su5 n ASN 174 Ca -0.11 -3.18 -0.30 0.00 -0.03 0.00 0.00 54.58 50.96 1su5 n ASN 174 Cb 0.48 -0.74 0.05 0.00 -0.61 0.00 0.00 39.78 38.96 1su5 n ASN 174 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1su5 s PRO 175 N -1.45 2.74 0.32 3.52 0.04 -1.26 -4.11 135.00 134.80 1su5 s PRO 175 Ca 0.26 0.55 -0.29 0.00 0.04 0.00 0.00 61.00 61.56 1su5 s PRO 175 Cb -0.02 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 1su5 s PRO 175 CO -0.16 -1.13 1.38 0.09 0.04 0.00 0.00 177.00 177.22 1su5 n ASN 176 N -3.09 3.06 -4.71 6.66 4.13 -1.26 -5.01 115.26 115.05 1su5 n ASN 176 Ca 0.07 1.19 -0.32 0.00 1.68 0.00 0.00 54.58 57.20 1su5 n ASN 176 Cb 0.57 -1.51 0.13 0.00 -1.54 0.00 0.00 39.78 37.43 1su5 n ASN 176 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1su5 s THR 177 N -0.74 2.46 0.29 3.41 -4.23 -1.26 -4.80 115.64 110.77 1su5 s THR 177 Ca 0.59 0.16 0.03 0.00 -1.18 0.00 0.00 61.69 61.29 1su5 s THR 177 Cb -0.56 -2.40 0.30 0.00 1.34 0.00 0.00 72.50 71.19 1su5 s THR 177 CO 0.58 -0.18 1.66 -0.65 -0.54 0.00 0.00 174.62 175.49 1su5 h PRO 178 N -1.41 0.26 -0.57 3.99 0.11 -1.95 -1.70 132.00 130.73 1su5 h PRO 178 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1su5 h PRO 178 Cb 1.26 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1su5 h PRO 178 CO 0.46 0.17 0.26 1.96 -0.21 0.00 0.00 178.00 180.64 1su5 h GLN 179 N 0.27 0.84 -0.39 1.05 7.50 -1.95 -0.92 115.11 121.50 1su5 h GLN 179 Ca 0.56 -0.13 -0.07 0.00 0.50 0.00 0.00 58.65 59.51 1su5 h GLN 179 Cb 1.13 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 28.50 1su5 h GLN 179 CO -0.61 0.69 -0.02 1.96 -1.50 0.00 0.00 178.83 179.35 1su5 h GLN 180 N 0.78 0.71 -0.21 1.46 4.20 -1.68 -1.69 115.11 118.69 1su5 h GLN 180 Ca 0.20 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 1su5 h GLN 180 Cb 0.14 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1su5 h GLN 180 CO -0.02 0.81 -0.15 0.00 -0.67 0.00 0.00 178.83 178.80 1su5 h ALA 181 N 0.87 0.30 -0.45 3.87 0.00 -1.34 -2.80 119.26 119.71 1su5 h ALA 181 Ca 0.11 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1su5 h ALA 181 Cb 0.51 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1su5 h ALA 181 CO 0.02 0.19 0.05 0.37 0.00 0.00 0.00 179.25 179.88 1su5 h GLN 182 N 0.16 0.16 0.10 0.00 5.75 -1.13 0.14 115.11 120.30 1su5 h GLN 182 Ca 0.04 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1su5 h GLN 182 Cb 0.68 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 1su5 h GLN 182 CO 0.04 0.11 -0.27 1.49 -2.65 0.00 0.00 178.83 177.54 1su5 h GLU 183 N 0.17 -0.46 -0.47 1.69 4.81 -1.28 0.15 114.58 119.19 1su5 h GLU 183 Ca 0.22 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1su5 h GLU 183 Cb 0.30 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1su5 h GLU 183 CO -0.33 -0.31 0.03 0.28 -0.73 0.00 0.00 179.01 177.95 1su5 h VAL 184 N -0.48 1.26 -0.70 0.32 2.07 -1.28 -2.40 116.25 115.04 1su5 h VAL 184 Ca 0.03 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1su5 h VAL 184 Cb 0.51 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1su5 h VAL 184 CO -0.17 0.35 0.44 0.45 0.02 0.00 0.00 177.57 178.66 1su5 h HIS 185 N 0.66 0.83 -0.87 1.57 3.86 -0.45 -0.79 115.15 119.96 1su5 h HIS 185 Ca 0.14 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1su5 h HIS 185 Cb 0.47 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 1su5 h HIS 185 CO 0.03 0.48 0.54 1.49 0.86 0.00 0.00 177.93 181.34 1su5 h GLU 186 N 0.87 1.16 -0.12 2.45 4.81 -0.51 -1.28 114.58 121.96 1su5 h GLU 186 Ca 0.28 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1su5 h GLU 186 Cb 0.00 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1su5 h GLU 186 CO -0.10 0.80 -0.48 0.87 -0.73 0.00 0.00 179.01 179.36 1su5 h LYS 187 N 1.18 0.32 -0.43 1.92 1.57 -0.87 -1.67 116.57 118.59 1su5 h LYS 187 Ca 0.31 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1su5 h LYS 187 Cb -0.08 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1su5 h LYS 187 CO -0.06 0.74 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.26 1su5 h LEU 188 N 0.26 0.88 -0.58 2.94 3.38 -0.53 -1.30 115.31 120.36 1su5 h LEU 188 Ca 0.01 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 1su5 h LEU 188 Cb 0.95 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1su5 h LEU 188 CO 0.08 1.07 -0.19 -0.09 0.09 0.00 0.00 178.44 179.40 1su5 h ARG 189 N 0.75 0.94 -0.49 1.13 2.43 -1.10 -1.89 114.38 116.15 1su5 h ARG 189 Ca 0.10 -0.38 0.02 0.00 -0.81 0.00 0.00 59.98 58.91 1su5 h ARG 189 Cb 0.76 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1su5 h ARG 189 CO 0.06 1.04 0.30 0.78 -1.51 0.00 0.00 179.97 180.64 1su5 h GLY 190 N 0.92 0.69 0.48 2.80 0.00 -1.16 -1.70 103.07 105.10 1su5 h GLY 190 Ca 0.11 -0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.27 1su5 h GLY 190 CO 0.06 0.20 0.01 -0.25 0.00 0.00 0.00 176.54 176.57 1su5 h TRP 191 N 0.60 0.01 -0.81 5.60 7.01 -0.90 -2.07 115.95 125.39 1su5 h TRP 191 Ca 0.19 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 1su5 h TRP 191 Cb -0.00 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.07 1su5 h TRP 191 CO -0.06 -0.05 0.50 -0.07 -2.79 0.00 0.00 178.44 175.98 1su5 h LEU 192 N 0.11 0.96 0.20 0.65 3.38 -0.98 -0.03 115.31 119.61 1su5 h LEU 192 Ca 0.17 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1su5 h LEU 192 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1su5 h LEU 192 CO -0.27 0.73 -0.15 0.50 0.09 0.00 0.00 178.44 179.34 1su5 h LYS 193 N 1.11 -0.35 0.00 1.13 3.64 -0.86 0.17 116.57 121.41 1su5 h LYS 193 Ca 0.29 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1su5 h LYS 193 Cb -0.07 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1su5 h LYS 193 CO -0.06 -0.23 -0.34 0.66 -2.27 0.00 0.00 179.45 177.21 1su5 h SER 194 N -0.36 0.00 0.00 4.20 4.64 -0.95 -3.22 113.55 117.86 1su5 h SER 194 Ca -0.01 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 1su5 h SER 194 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1su5 h SER 194 CO -0.01 0.34 -1.71 1.41 -0.87 0.00 0.00 176.83 175.99 1su5 n HIS 195 N -3.30 0.00 0.00 4.77 8.25 -0.06 -4.89 115.22 119.98 1su5 n HIS 195 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1su5 n HIS 195 Cb 0.58 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1su5 n HIS 195 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1su5 n VAL 196 N -2.22 0.00 -3.53 1.59 0.31 0.53 -5.05 118.33 109.97 1su5 n VAL 196 Ca -0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.14 1su5 n VAL 196 Cb 0.64 -0.55 -0.02 0.00 -0.91 0.00 0.00 33.84 33.00 1su5 n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1su5 s SER 197 N 0.42 -0.31 0.13 4.52 1.04 -0.69 -4.98 113.70 113.82 1su5 s SER 197 Ca 0.00 -0.00 -0.22 0.00 0.48 0.00 0.00 55.95 56.21 1su5 s SER 197 Cb 0.00 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1su5 s SER 197 CO 0.00 -0.54 1.68 0.44 0.98 0.00 0.00 173.24 175.80 1su5 h ASP 198 N 2.00 -0.40 -0.80 7.02 3.32 -1.84 0.23 116.42 125.94 1su5 h ASP 198 Ca -0.19 0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.96 1su5 h ASP 198 Cb 1.22 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.92 1su5 h ASP 198 CO 0.29 -0.17 0.52 0.00 -1.72 0.00 0.00 179.24 178.16 1su5 h ALA 199 N 0.93 1.05 -0.36 3.45 0.00 -1.96 0.22 119.26 122.59 1su5 h ALA 199 Ca 0.09 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1su5 h ALA 199 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1su5 h ALA 199 CO -0.22 0.35 -0.25 0.28 0.00 0.00 0.00 179.25 179.41 1su5 h VAL 200 N 1.02 1.27 -0.57 0.00 2.07 -1.90 -1.14 116.25 117.00 1su5 h VAL 200 Ca 0.32 -1.36 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 1su5 h VAL 200 Cb -0.02 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1su5 h VAL 200 CO -0.10 0.45 -0.05 0.00 0.02 0.00 0.00 177.57 177.89 1su5 h ALA 201 N 1.09 0.78 0.00 1.67 0.00 0.22 -2.01 119.26 121.01 1su5 h ALA 201 Ca 0.08 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1su5 h ALA 201 Cb 0.75 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1su5 h ALA 201 CO 0.06 0.65 -0.31 1.96 0.00 0.00 0.00 179.25 181.61 1su5 h GLN 202 N 0.93 0.00 0.00 0.00 7.50 -0.50 -3.34 115.11 119.70 1su5 h GLN 202 Ca 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.30 1su5 h GLN 202 Cb 0.61 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.14 1su5 h GLN 202 CO 0.04 0.31 -1.90 -1.13 -1.50 0.00 0.00 178.83 174.65 1su5 n SER 203 N -3.19 0.54 -4.71 1.46 3.41 -0.44 -4.70 113.62 105.99 1su5 n SER 203 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.23 1su5 n SER 203 Cb 0.64 1.88 -0.04 0.00 -0.26 0.00 0.00 64.21 66.43 1su5 n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1su5 s THR 204 N -3.34 4.93 0.02 6.66 2.01 -0.76 -4.87 115.64 120.29 1su5 s THR 204 Ca -0.07 1.77 -0.30 0.00 0.31 0.00 0.00 61.69 63.39 1su5 s THR 204 Cb 0.12 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1su5 s THR 204 CO 0.81 0.17 1.06 -0.13 -0.69 0.00 0.00 174.62 175.84 1su5 s ARG 205 N 1.13 4.51 -0.32 4.92 3.00 -1.26 -4.97 118.95 125.97 1su5 s ARG 205 Ca 0.44 1.54 -0.00 0.00 0.00 0.00 0.00 55.73 57.71 1su5 s ARG 205 Cb -0.19 -3.43 0.07 0.00 0.00 0.00 0.00 34.95 31.40 1su5 s ARG 205 CO 0.22 -0.13 0.02 0.42 0.00 0.00 0.00 175.30 175.83 1su5 s ILE 206 N 1.07 2.82 0.16 1.52 1.01 -1.26 -1.16 121.20 125.36 1su5 s ILE 206 Ca 0.54 -1.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.50 1su5 s ILE 206 Cb -0.24 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 1su5 s ILE 206 CO 0.28 -0.26 0.37 0.27 0.00 0.00 0.00 174.94 175.60 1su5 s ILE 207 N 1.17 5.20 -0.12 2.92 -4.36 0.29 -0.80 121.20 125.50 1su5 s ILE 207 Ca -0.02 -0.13 -0.06 0.00 -0.26 0.00 0.00 60.65 60.19 1su5 s ILE 207 Cb -0.20 -3.66 -0.04 0.00 1.25 0.00 0.00 42.46 39.81 1su5 s ILE 207 CO -0.03 -0.03 0.09 -0.47 0.24 0.00 0.00 174.94 174.74 1su5 s TYR 208 N -1.72 3.42 0.04 1.37 6.14 -0.02 -1.01 117.35 125.58 1su5 s TYR 208 Ca 0.40 0.38 0.05 0.00 0.64 0.00 0.00 57.07 58.53 1su5 s TYR 208 Cb -0.12 -1.92 -0.02 0.00 0.42 0.00 0.00 41.96 40.32 1su5 s TYR 208 CO 0.26 0.58 -0.14 0.20 0.64 0.00 0.00 175.55 177.10 1su5 s GLY 209 N -0.79 0.81 0.00 8.97 0.00 -0.28 -1.30 107.32 114.73 1su5 s GLY 209 Ca 0.13 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1su5 s GLY 209 CO 0.03 -0.84 0.00 0.61 0.00 0.00 0.00 173.10 172.90 1su5 n GLY 210 N 1.79 1.69 3.14 0.20 0.00 -1.26 -3.92 105.19 106.84 1su5 n GLY 210 Ca -0.19 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 1su5 n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1su5 n SER 211 N 0.00 -5.66 -4.70 1.61 7.64 -0.84 -4.37 113.62 107.31 1su5 n SER 211 Ca 0.00 -0.39 -0.42 0.00 1.01 0.00 0.00 58.87 59.07 1su5 n SER 211 Cb 0.00 -4.33 -0.03 0.00 -1.01 0.00 0.00 64.21 58.84 1su5 n SER 211 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1su5 s VAL 212 N -3.21 4.51 0.32 0.44 1.01 -1.26 -4.66 120.40 117.55 1su5 s VAL 212 Ca 0.43 1.81 0.04 0.00 0.00 0.00 0.00 61.98 64.25 1su5 s VAL 212 Cb -0.19 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 1su5 s VAL 212 CO 0.53 0.07 0.05 0.42 0.00 0.00 0.00 175.10 176.16 1su5 s THR 213 N 1.62 1.23 0.41 3.92 -4.23 -1.26 -4.58 115.64 112.74 1su5 s THR 213 Ca 0.53 -2.01 0.18 0.00 -1.18 0.00 0.00 61.69 59.22 1su5 s THR 213 Cb -0.23 -2.77 0.39 0.00 1.34 0.00 0.00 72.50 71.23 1su5 s THR 213 CO 0.24 -0.03 1.80 1.23 -0.54 0.00 0.00 174.62 177.33 1su5 h GLY 214 N 2.13 1.06 1.46 3.99 0.00 -1.94 -1.38 103.07 108.39 1su5 h GLY 214 Ca -0.41 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 46.58 1su5 h GLY 214 CO 0.70 -0.08 -0.46 -1.33 0.00 0.00 0.00 176.54 175.37 1su5 h GLY 215 N 0.40 0.63 0.00 4.60 0.00 -1.96 -3.37 103.07 103.38 1su5 h GLY 215 Ca 0.55 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1su5 h GLY 215 CO -0.24 0.61 -0.91 1.16 0.00 0.00 0.00 176.54 177.16 1su5 n ASN 216 N -4.00 0.86 -0.12 0.19 0.23 -1.02 -4.66 115.26 106.73 1su5 n ASN 216 Ca -0.02 -0.68 -0.06 0.00 -0.53 0.00 0.00 54.58 53.28 1su5 n ASN 216 Cb 0.55 1.14 0.11 0.00 -2.08 0.00 0.00 39.78 39.51 1su5 n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1su5 h LYS 218 N 0.77 0.58 0.01 0.00 3.64 -1.81 0.10 116.57 119.87 1su5 h LYS 218 Ca 0.14 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.25 1su5 h LYS 218 Cb 0.56 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1su5 h LYS 218 CO 0.03 0.39 -1.11 0.93 -2.27 0.00 0.00 179.45 177.42 1su5 h GLU 219 N 0.60 0.03 -0.53 1.90 5.08 -1.88 -2.82 114.58 116.96 1su5 h GLU 219 Ca 0.32 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1su5 h GLU 219 Cb 0.30 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1su5 h GLU 219 CO -0.24 0.96 0.10 -0.07 -1.00 0.00 0.00 179.01 178.76 1su5 h LEU 220 N 0.01 0.83 -1.49 1.33 3.38 -1.36 -3.17 115.31 114.83 1su5 h LEU 220 Ca -0.06 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1su5 h LEU 220 Cb 1.82 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 1su5 h LEU 220 CO 0.13 0.87 -0.14 0.00 0.09 0.00 0.00 178.44 179.39 1su5 h ALA 221 N 0.99 1.58 0.00 1.53 0.00 -0.95 -2.80 119.26 119.61 1su5 h ALA 221 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1su5 h ALA 221 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1su5 h ALA 221 CO 0.01 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 1su5 n SER 222 N -4.30 0.00 -4.76 0.00 3.41 -1.07 -4.78 113.62 102.12 1su5 n SER 222 Ca -0.01 -0.09 -0.40 0.00 -0.26 0.00 0.00 58.87 58.10 1su5 n SER 222 Cb 0.25 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 1su5 n SER 222 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1su5 s GLN 223 N -2.58 4.59 0.52 4.33 -1.52 -1.06 -4.94 119.66 119.00 1su5 s GLN 223 Ca 0.25 1.87 0.26 0.00 -1.95 0.00 0.00 55.36 55.79 1su5 s GLN 223 Cb 0.18 -3.18 1.37 0.00 -0.22 0.00 0.00 33.01 31.17 1su5 s GLN 223 CO 0.41 0.13 1.96 1.25 -0.25 0.00 0.00 175.29 178.79 1su5 h HIS 224 N 3.86 0.07 0.00 0.91 2.76 -1.90 -2.72 115.15 118.14 1su5 h HIS 224 Ca -0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1su5 h HIS 224 Cb 1.21 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1su5 h HIS 224 CO 0.59 0.02 -0.00 -0.25 -1.30 0.00 0.00 177.93 176.99 1su5 n ASP 225 N -4.37 1.93 -4.43 3.26 9.92 -1.26 -4.90 116.55 116.70 1su5 n ASP 225 Ca 0.13 -2.05 -0.44 0.00 -0.53 0.00 0.00 54.79 51.90 1su5 n ASP 225 Cb 0.69 -0.04 -0.08 0.00 -0.64 0.00 0.00 41.12 41.05 1su5 n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1su5 s VAL 226 N -1.11 5.10 -2.11 2.53 1.01 -1.03 -4.66 120.40 120.14 1su5 s VAL 226 Ca 0.03 -0.74 0.19 0.00 0.00 0.00 0.00 61.98 61.46 1su5 s VAL 226 Cb 0.02 -4.15 0.48 0.00 0.00 0.00 0.00 36.38 32.74 1su5 s VAL 226 CO 0.00 -0.60 1.43 0.47 0.00 0.00 0.00 175.10 176.40 1su5 n ASP 227 N 5.56 2.90 0.00 3.32 10.43 0.02 -4.72 116.55 134.06 1su5 n ASP 227 Ca -0.10 -1.96 0.00 0.00 2.57 0.00 0.00 54.79 55.30 1su5 n ASP 227 Cb 0.45 -0.32 0.00 0.00 1.84 0.00 0.00 41.12 43.09 1su5 n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1su5 n GLY 228 N 1.38 0.42 2.98 0.44 0.00 -1.26 -2.32 105.19 106.83 1su5 n GLY 228 Ca 0.18 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 1su5 n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1su5 s PHE 229 N -2.79 0.08 -0.28 1.61 0.08 -0.48 -0.84 117.98 115.36 1su5 s PHE 229 Ca 0.00 -0.15 -0.09 0.00 0.12 0.00 0.00 56.93 56.81 1su5 s PHE 229 Cb 0.00 -0.07 -0.02 0.00 -0.57 0.00 0.00 43.02 42.36 1su5 s PHE 229 CO 0.00 -0.14 0.12 -1.17 -0.10 0.00 0.00 175.22 173.93 1su5 s LEU 230 N -0.79 3.81 -0.15 -0.37 2.96 -0.42 -1.05 118.68 122.67 1su5 s LEU 230 Ca -0.09 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1su5 s LEU 230 Cb -0.05 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.67 1su5 s LEU 230 CO -0.00 -0.11 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.03 1su5 s VAL 231 N 1.63 2.19 0.00 1.68 1.01 -0.05 -4.05 120.40 122.80 1su5 s VAL 231 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1su5 s VAL 231 Cb -0.16 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1su5 s VAL 231 CO 0.05 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1su5 n GLY 232 N 4.17 -0.02 0.29 4.51 0.00 -1.26 0.20 105.19 113.08 1su5 n GLY 232 Ca -0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.87 1su5 n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1su5 n GLY 233 N 3.79 -1.35 0.23 -0.02 0.00 -1.26 -0.24 105.19 106.34 1su5 n GLY 233 Ca 0.00 0.86 0.14 0.00 0.00 0.00 0.00 46.02 47.02 1su5 n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su5 h ALA 234 N 1.61 1.00 0.00 4.61 0.00 -1.87 -2.96 119.26 121.65 1su5 h ALA 234 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1su5 h ALA 234 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1su5 h ALA 234 CO -0.83 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.08 1su5 h SER 235 N 0.00 0.00 0.12 0.00 4.64 -0.81 -1.32 113.55 116.18 1su5 h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1su5 h SER 235 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1su5 h SER 235 CO 0.00 0.00 -0.10 0.18 -0.87 0.00 0.00 176.83 176.04 1su5 n LEU 236 N -2.61 1.11 -4.48 5.97 4.77 -1.12 -4.90 117.00 115.74 1su5 n LEU 236 Ca -0.00 -0.32 -0.24 0.00 -0.03 0.00 0.00 56.01 55.42 1su5 n LEU 236 Cb 0.15 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1su5 n LEU 236 CO 0.18 0.19 -0.41 -0.54 -1.33 0.00 0.00 177.39 175.48 1su5 s LYS 237 N -2.24 1.68 0.60 3.23 1.02 -0.50 -5.00 119.74 118.54 1su5 s LYS 237 Ca 0.33 -1.83 0.34 0.00 0.02 0.00 0.00 55.97 54.82 1su5 s LYS 237 Cb 0.20 -1.56 1.93 0.00 -0.52 0.00 0.00 37.83 37.88 1su5 s LYS 237 CO 0.42 0.18 2.26 -1.35 -0.92 0.00 0.00 175.35 175.94 1su5 h PRO 238 N 2.19 0.00 0.00 -1.68 0.11 -1.92 -2.37 132.00 128.33 1su5 h PRO 238 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1su5 h PRO 238 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1su5 h PRO 238 CO 0.66 0.02 0.00 -0.85 -0.21 0.00 0.00 178.00 177.62 1su5 n GLU 239 N -3.59 0.05 -0.25 1.05 0.28 -1.26 -2.47 120.64 114.45 1su5 n GLU 239 Ca -0.03 0.15 0.14 0.00 -0.16 0.00 0.00 57.16 57.26 1su5 n GLU 239 Cb 0.11 -1.50 0.42 0.00 1.43 0.00 0.00 31.44 31.90 1su5 n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1su5 h PHE 240 N 0.00 0.73 -0.37 -1.84 3.57 -1.43 -0.81 116.94 116.79 1su5 h PHE 240 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1su5 h PHE 240 Cb 0.31 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1su5 h PHE 240 CO 0.00 0.25 0.22 0.28 -2.23 0.00 0.00 178.31 176.83 1su5 h VAL 241 N 0.60 1.04 -0.18 1.41 2.07 -1.72 -0.67 116.25 118.80 1su5 h VAL 241 Ca 0.45 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.77 1su5 h VAL 241 Cb 0.83 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1su5 h VAL 241 CO -0.20 0.08 -0.09 0.44 0.02 0.00 0.00 177.57 177.82 1su5 h ASP 242 N 0.44 0.26 -0.18 0.57 3.32 -1.37 -1.41 116.42 118.06 1su5 h ASP 242 Ca 0.14 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 1su5 h ASP 242 Cb -0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1su5 h ASP 242 CO -0.06 0.39 -0.48 0.40 -1.72 0.00 0.00 179.24 177.76 1su5 h ILE 243 N 0.27 1.32 -0.59 0.35 2.04 -0.88 -1.79 117.51 118.22 1su5 h ILE 243 Ca 0.06 -1.73 0.12 0.00 1.00 0.00 0.00 64.86 64.31 1su5 h ILE 243 Cb 0.33 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1su5 h ILE 243 CO 0.02 0.54 0.41 0.40 0.00 0.00 0.00 178.15 179.51 1su5 h ILE 244 N 0.33 0.82 -0.83 -0.67 2.04 -0.75 -1.48 117.51 116.98 1su5 h ILE 244 Ca -0.01 -0.09 -0.33 0.00 1.00 0.00 0.00 64.86 65.43 1su5 h ILE 244 Cb 1.10 0.53 -0.20 0.00 -0.74 0.00 0.00 36.82 37.52 1su5 h ILE 244 CO 0.10 0.05 0.42 0.59 0.00 0.00 0.00 178.15 179.32 1su5 n ASN 245 N -4.45 4.38 -0.27 1.72 3.02 -0.56 -4.68 115.26 114.42 1su5 n ASN 245 Ca 0.10 -3.34 0.04 0.00 -0.03 0.00 0.00 54.58 51.35 1su5 n ASN 245 Cb 0.47 -0.78 0.17 0.00 -0.61 0.00 0.00 39.78 39.04 1su5 n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1su5 h ALA 246 N 2.03 1.12 -0.15 5.41 0.00 -0.42 -2.51 119.26 124.74 1su5 h ALA 246 Ca 0.41 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 55.18 1su5 h ALA 246 Cb 2.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.26 1su5 h ALA 246 CO 0.87 -0.02 -0.70 0.87 0.00 0.00 0.00 179.25 180.27 1su5 h LYS 247 N 0.66 0.63 -0.02 0.00 1.57 -1.84 -3.40 116.57 114.16 1su5 h LYS 247 Ca 0.40 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1su5 h LYS 247 Cb 0.46 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1su5 h LYS 247 CO -0.29 1.10 0.00 0.72 -0.57 0.00 0.00 179.45 180.41