#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 4.20 0.10 0.00 0.02 -1.26 -4.91 135.00 133.15 1su5 s PRO 3 Ca 0.00 2.32 -0.31 0.00 0.02 0.00 0.00 61.00 63.03 1su5 s PRO 3 Cb 0.00 -2.98 -0.08 0.00 0.02 0.00 0.00 34.50 31.47 1su5 s PRO 3 CO 0.00 -0.36 1.44 1.03 -0.33 0.00 0.00 177.00 178.78 1su5 s ARG 4 N -1.98 4.29 0.15 5.54 0.52 -1.26 -4.95 118.95 121.25 1su5 s ARG 4 Ca 0.52 2.12 -0.31 0.00 -0.52 0.00 0.00 55.73 57.53 1su5 s ARG 4 Cb -0.42 -3.31 -0.10 0.00 0.52 0.00 0.00 34.95 31.64 1su5 s ARG 4 CO 0.55 -0.50 1.63 0.21 0.02 0.00 0.00 175.30 177.21 1su5 s LYS 5 N 1.42 4.19 0.28 3.54 2.20 -1.26 -4.96 119.74 125.15 1su5 s LYS 5 Ca 0.66 2.41 -0.30 0.00 -0.36 0.00 0.00 55.97 58.38 1su5 s LYS 5 Cb -0.37 -3.28 -0.12 0.00 -1.51 0.00 0.00 37.83 32.55 1su5 s LYS 5 CO 0.30 -0.68 1.63 0.12 -0.36 0.00 0.00 175.35 176.36 1su5 s PHE 6 N 1.62 2.76 -0.09 4.03 5.99 -1.26 -4.86 117.98 126.18 1su5 s PHE 6 Ca 0.73 0.69 0.00 0.00 0.00 0.00 0.00 56.93 58.35 1su5 s PHE 6 Cb -0.44 -4.10 0.02 0.00 0.00 0.00 0.00 43.02 38.50 1su5 s PHE 6 CO 0.32 -3.78 -0.07 0.12 -0.00 0.00 0.00 175.22 171.82 1su5 s PHE 7 N 0.20 1.21 -0.13 10.12 2.19 -0.62 -0.78 117.98 130.16 1su5 s PHE 7 Ca 0.65 -0.51 0.00 0.00 0.33 0.00 0.00 56.93 57.41 1su5 s PHE 7 Cb -0.48 -1.03 0.02 0.00 -1.31 0.00 0.00 43.02 40.22 1su5 s PHE 7 CO 0.46 -0.38 -0.13 0.14 1.83 0.00 0.00 175.22 177.14 1su5 s VAL 8 N 1.44 1.39 -0.03 3.12 -7.23 -0.22 -0.94 120.40 117.92 1su5 s VAL 8 Ca -0.01 -0.54 -0.07 0.00 -1.81 0.00 0.00 61.98 59.56 1su5 s VAL 8 Cb -0.13 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 1su5 s VAL 8 CO -0.04 0.43 0.23 -0.83 -0.31 0.00 0.00 175.10 174.58 1su5 s GLY 9 N 1.41 2.23 -0.37 2.32 0.00 -0.17 -2.27 107.32 110.47 1su5 s GLY 9 Ca 0.02 -0.60 -0.00 0.00 0.00 0.00 0.00 44.72 44.14 1su5 s GLY 9 CO -0.08 -0.40 0.11 -0.32 0.00 0.00 0.00 173.10 172.42 1su5 s GLY 10 N -1.53 1.93 -0.70 0.20 0.00 0.87 -1.09 107.32 107.00 1su5 s GLY 10 Ca 0.24 -2.42 -0.22 0.00 0.00 0.00 0.00 44.72 42.31 1su5 s GLY 10 CO 0.13 0.94 1.00 0.21 0.00 0.00 0.00 173.10 175.39 1su5 s ASN 11 N 1.40 6.23 0.27 1.64 2.47 0.18 -0.07 114.94 127.06 1su5 s ASN 11 Ca 0.07 -1.11 0.22 0.00 0.42 0.00 0.00 52.86 52.46 1su5 s ASN 11 Cb -0.21 -2.42 1.02 0.00 -1.45 0.00 0.00 41.25 38.19 1su5 s ASN 11 CO -0.05 -1.41 1.66 0.79 -3.72 0.00 0.00 177.10 174.37 1su5 n TRP 12 N 7.65 0.73 -3.37 0.43 8.01 -0.85 -4.18 117.44 125.87 1su5 n TRP 12 Ca 0.00 0.33 0.00 0.00 -1.31 0.00 0.00 57.50 56.52 1su5 n TRP 12 Cb 0.46 -1.03 0.00 0.00 -2.01 0.00 0.00 31.31 28.73 1su5 n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1su5 n LYS 13 N -2.20 0.00 -2.94 -0.99 5.02 -1.26 -3.21 118.16 112.57 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 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 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 6.35 3.54 -3.81 1.97 0.00 -1.26 -4.22 117.12 119.68 1su5 n MET 14 Ca 0.00 -3.99 -0.12 0.00 -0.00 0.00 0.00 57.70 53.58 1su5 n MET 14 Cb 0.00 -2.87 -0.11 0.00 0.00 0.00 0.00 33.22 30.24 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 1.80 -0.17 0.00 6.12 0.01 -1.20 -5.14 114.94 116.37 1su5 s ASN 15 Ca 0.39 0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.78 1su5 s ASN 15 Cb -0.02 0.38 0.00 0.00 0.41 0.00 0.00 41.25 42.02 1su5 s ASN 15 CO -0.01 -0.20 0.00 0.61 -1.51 0.00 0.00 177.10 175.99 1su5 n GLY 16 N 2.35 1.40 2.21 0.66 0.00 -1.26 -4.82 105.19 105.72 1su5 n GLY 16 Ca -0.16 -1.89 -0.17 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.24 1.22 -0.14 1.61 5.68 -1.26 -4.97 116.55 118.45 1su5 n ASP 17 Ca 0.00 -2.42 0.04 0.00 -0.50 0.00 0.00 54.79 51.91 1su5 n ASP 17 Cb 0.00 0.65 0.35 0.00 -1.14 0.00 0.00 41.12 40.98 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 0.75 0.22 0.11 1.57 -1.98 0.16 116.57 117.40 1su5 h LYS 18 Ca -0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1su5 h LYS 18 Cb 0.80 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1su5 h LYS 18 CO 0.34 0.49 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.38 1su5 h LYS 19 N 0.77 -0.29 0.02 3.15 1.63 -1.98 -0.88 116.57 118.98 1su5 h LYS 19 Ca 0.26 0.02 -0.21 0.00 -0.85 0.00 0.00 60.65 59.87 1su5 h LYS 19 Cb 0.08 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1su5 h LYS 19 CO -0.07 -0.02 -0.94 0.66 -3.45 0.00 0.00 179.45 175.64 1su5 h SER 20 N -0.56 0.28 0.15 4.20 4.64 -1.90 -2.28 113.55 118.09 1su5 h SER 20 Ca -0.03 -0.24 -0.20 0.00 -0.47 0.00 0.00 61.79 60.85 1su5 h SER 20 Cb 0.41 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1su5 h SER 20 CO 0.05 1.07 -0.76 -0.07 -0.87 0.00 0.00 176.83 176.25 1su5 h LEU 21 N 0.11 0.61 -0.88 5.97 4.07 -1.06 -1.40 115.31 122.72 1su5 h LEU 21 Ca -0.06 -0.41 0.09 0.00 0.08 0.00 0.00 57.88 57.58 1su5 h LEU 21 Cb 1.59 -0.18 -0.07 0.00 1.08 0.00 0.00 40.66 43.08 1su5 h LEU 21 CO 0.14 1.17 0.53 1.23 -1.08 0.00 0.00 178.44 180.44 1su5 h GLY 22 N 1.08 1.37 1.04 0.83 0.00 -1.03 0.14 103.07 106.50 1su5 h GLY 22 Ca -0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1su5 h GLY 22 CO 0.14 0.19 -0.30 0.83 0.00 0.00 0.00 176.54 177.39 1su5 h GLU 23 N 0.90 0.82 0.01 4.80 5.08 -1.28 -1.01 114.58 123.90 1su5 h GLU 23 Ca 0.41 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1su5 h GLU 23 Cb 0.32 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1su5 h GLU 23 CO -0.23 1.05 -0.00 1.25 -1.00 0.00 0.00 179.01 180.08 1su5 h LEU 24 N 0.61 -0.01 -0.21 1.33 5.85 -0.99 -1.32 115.31 120.57 1su5 h LEU 24 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1su5 h LEU 24 Cb 0.88 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1su5 h LEU 24 CO 0.08 0.00 0.09 0.40 -0.34 0.00 0.00 178.44 178.67 1su5 h ILE 25 N -0.02 1.15 -0.80 4.05 2.04 -1.00 -1.26 117.51 121.68 1su5 h ILE 25 Ca -0.00 -0.46 0.09 0.00 1.00 0.00 0.00 64.86 65.49 1su5 h ILE 25 Cb 0.02 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 1su5 h ILE 25 CO 0.00 0.15 0.46 -0.74 0.00 0.00 0.00 178.15 178.02 1su5 h HIS 26 N 0.19 0.83 -0.15 1.37 2.76 -1.10 0.46 115.15 119.50 1su5 h HIS 26 Ca 0.07 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1su5 h HIS 26 Cb 0.16 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1su5 h HIS 26 CO -0.02 0.34 0.04 1.15 -1.30 0.00 0.00 177.93 178.15 1su5 h THR 27 N 0.77 1.19 -0.41 6.26 2.02 -1.01 -2.45 112.91 119.28 1su5 h THR 27 Ca 0.38 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 67.00 1su5 h THR 27 Cb 0.34 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1su5 h THR 27 CO -0.24 0.18 0.21 -0.07 0.37 0.00 0.00 175.52 175.97 1su5 h LEU 28 N 0.06 0.31 -2.10 2.58 3.38 -0.28 -1.47 115.31 117.80 1su5 h LEU 28 Ca 0.05 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1su5 h LEU 28 Cb 0.24 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1su5 h LEU 28 CO -0.00 0.22 0.06 0.78 0.09 0.00 0.00 178.44 179.59 1su5 h ASN 29 N 0.42 0.00 0.77 -0.43 2.35 -0.06 -2.70 115.58 115.94 1su5 h ASN 29 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1su5 h ASN 29 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1su5 h ASN 29 CO -0.11 0.00 -1.09 0.61 -1.65 0.00 0.00 177.43 175.18 1su5 n GLY 30 N -1.50 -1.37 3.77 2.83 0.00 -0.87 -5.00 105.19 103.05 1su5 n GLY 30 Ca -0.01 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1su5 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su5 s ALA 31 N -3.34 2.61 -0.85 4.61 0.00 -0.61 -4.95 121.76 119.23 1su5 s ALA 31 Ca -0.00 0.76 -0.25 0.00 0.00 0.00 0.00 51.96 52.47 1su5 s ALA 31 Cb 0.11 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1su5 s ALA 31 CO 0.80 -0.96 1.51 0.15 0.00 0.00 0.00 175.76 177.26 1su5 s LYS 32 N -3.52 3.18 -0.06 0.00 1.02 -1.26 -5.00 119.74 114.10 1su5 s LYS 32 Ca 0.72 -0.46 -0.05 0.00 0.02 0.00 0.00 55.97 56.20 1su5 s LYS 32 Cb -0.24 -4.76 -0.04 0.00 -0.52 0.00 0.00 37.83 32.27 1su5 s LYS 32 CO 0.32 -2.41 0.17 -0.51 -0.92 0.00 0.00 175.35 171.99 1su5 s LEU 33 N 6.48 4.38 -0.03 3.17 1.43 -1.26 -4.98 118.68 127.87 1su5 s LEU 33 Ca 0.48 0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 53.69 1su5 s LEU 33 Cb -0.05 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 1su5 s LEU 33 CO 0.04 0.33 1.54 -0.55 0.23 0.00 0.00 176.35 177.94 1su5 s SER 34 N -1.53 6.74 0.61 2.29 0.15 -1.26 -4.86 113.70 115.84 1su5 s SER 34 Ca 0.22 2.18 0.33 0.00 0.70 0.00 0.00 55.95 59.38 1su5 s SER 34 Cb -0.12 -2.55 1.94 0.00 -1.71 0.00 0.00 66.02 63.58 1su5 s SER 34 CO 0.12 -0.84 2.24 0.00 1.20 0.00 0.00 173.24 175.96 1su5 h ALA 35 N 8.72 1.44 0.00 5.45 0.00 -1.96 -1.82 119.26 131.08 1su5 h ALA 35 Ca -0.38 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1su5 h ALA 35 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1su5 h ALA 35 CO 0.94 -0.08 -0.02 -0.44 0.00 0.00 0.00 179.25 179.65 1su5 h ASP 36 N 0.00 0.00 -3.30 0.00 3.45 -1.96 -3.44 116.42 111.16 1su5 h ASP 36 Ca 0.02 0.00 -0.60 0.00 0.43 0.00 0.00 57.03 56.88 1su5 h ASP 36 Cb 0.14 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 38.79 1su5 h ASP 36 CO -0.00 0.02 -0.47 -0.89 -1.57 0.00 0.00 179.24 176.33 1su5 s THR 37 N -3.95 5.39 -0.37 0.35 2.01 -0.69 -4.03 115.64 114.35 1su5 s THR 37 Ca -0.02 0.23 -0.24 0.00 0.31 0.00 0.00 61.69 61.97 1su5 s THR 37 Cb 0.11 -3.49 0.01 0.00 0.01 0.00 0.00 72.50 69.14 1su5 s THR 37 CO 0.50 0.42 0.83 -0.70 -0.69 0.00 0.00 174.62 174.98 1su5 s GLU 38 N 0.44 3.76 -0.10 4.92 2.12 0.04 -4.97 118.70 124.92 1su5 s GLU 38 Ca 0.09 0.37 -0.01 0.00 0.36 0.00 0.00 54.97 55.77 1su5 s GLU 38 Cb -0.11 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.43 1su5 s GLU 38 CO -0.01 -0.89 -0.03 0.08 -0.54 0.00 0.00 175.26 173.87 1su5 s VAL 39 N 3.22 4.04 -0.00 3.70 1.01 -1.26 -1.06 120.40 130.05 1su5 s VAL 39 Ca 0.33 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1su5 s VAL 39 Cb -0.13 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1su5 s VAL 39 CO 0.18 0.58 -0.00 -0.69 0.00 0.00 0.00 175.10 175.16 1su5 s VAL 40 N -0.58 0.04 -0.18 2.92 1.01 -0.96 -1.43 120.40 121.23 1su5 s VAL 40 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1su5 s VAL 40 Cb -0.12 -0.05 0.01 0.00 0.00 0.00 0.00 36.38 36.22 1su5 s VAL 40 CO 0.02 0.02 -0.18 0.00 0.00 0.00 0.00 175.10 174.96 1su5 s GLY 42 N 1.18 1.38 0.15 0.00 0.00 0.89 -0.42 107.32 110.51 1su5 s GLY 42 Ca 0.02 -1.30 -0.00 0.00 0.00 0.00 0.00 44.72 43.44 1su5 s GLY 42 CO -0.08 2.08 0.33 0.00 0.00 0.00 0.00 173.10 175.42 1su5 s ALA 43 N 4.03 3.89 0.48 3.20 0.00 -0.87 -2.01 121.76 130.48 1su5 s ALA 43 Ca 0.30 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 51.20 1su5 s ALA 43 Cb -0.13 -1.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 1su5 s ALA 43 CO 0.18 0.57 1.15 -2.30 0.00 0.00 0.00 175.76 175.36 1su5 n PRO 44 N -0.33 1.51 -0.32 0.00 -0.02 -1.26 -4.04 135.00 130.54 1su5 n PRO 44 Ca -0.05 0.55 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 1su5 n PRO 44 Cb 0.53 -2.28 0.17 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.49 0.82 0.01 2.55 4.64 -1.96 0.45 113.55 121.57 1su5 h SER 45 Ca -0.48 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1su5 h SER 45 Cb 1.32 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1su5 h SER 45 CO 0.57 0.50 0.00 -0.29 -0.87 0.00 0.00 176.83 176.73 1su5 h ILE 46 N 0.94 0.00 -0.00 0.95 2.10 -2.03 -2.48 117.51 117.00 1su5 h ILE 46 Ca 0.41 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 66.34 1su5 h ILE 46 Cb 0.28 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 1su5 h ILE 46 CO -0.21 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.64 1su5 n TYR 47 N -2.42 0.00 -0.09 2.19 0.53 0.11 -4.81 117.16 112.67 1su5 n TYR 47 Ca -0.02 -0.34 -0.09 0.00 -1.02 0.00 0.00 57.90 56.42 1su5 n TYR 47 Cb 0.04 -0.03 -0.02 0.00 -1.03 0.00 0.00 39.34 38.30 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 0.03 0.39 -0.31 7.72 3.38 -0.94 0.24 115.31 125.81 1su5 h LEU 48 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1su5 h LEU 48 Cb 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1su5 h LEU 48 CO 0.00 0.37 0.20 -0.78 0.09 0.00 0.00 178.44 178.32 1su5 h ASP 49 N 0.37 0.35 -0.51 -0.43 -0.00 -1.87 -1.12 116.42 113.22 1su5 h ASP 49 Ca 0.11 -0.01 0.01 0.00 -0.00 0.00 0.00 57.03 57.14 1su5 h ASP 49 Cb 0.07 -0.09 -0.03 0.00 -0.00 0.00 0.00 39.33 39.29 1su5 h ASP 49 CO -0.02 0.26 0.32 0.15 -0.00 0.00 0.00 179.24 179.95 1su5 h PHE 50 N 0.41 0.60 -0.91 0.28 3.04 -1.80 -1.99 116.94 116.57 1su5 h PHE 50 Ca 0.11 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.10 1su5 h PHE 50 Cb -0.04 -0.20 -0.05 0.00 2.56 0.00 0.00 35.95 38.22 1su5 h PHE 50 CO -0.05 0.36 0.60 0.00 -2.02 0.00 0.00 178.31 177.20 1su5 h ALA 51 N 1.21 1.37 0.00 2.41 0.00 -0.22 -1.31 119.26 122.71 1su5 h ALA 51 Ca 0.20 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 1su5 h ALA 51 Cb -0.03 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.42 1su5 h ALA 51 CO -0.07 0.57 -1.00 -0.09 0.00 0.00 0.00 179.25 178.66 1su5 h ARG 52 N 1.21 0.56 -0.10 0.00 9.65 -0.95 -1.18 114.38 123.57 1su5 h ARG 52 Ca 0.34 -0.61 0.02 0.00 -1.10 0.00 0.00 59.98 58.63 1su5 h ARG 52 Cb -0.09 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 1su5 h ARG 52 CO -0.09 1.22 -0.01 1.96 2.80 0.00 0.00 179.97 185.86 1su5 h GLN 53 N 0.31 0.02 0.12 0.20 4.20 -1.14 -3.31 115.11 115.51 1su5 h GLN 53 Ca -0.11 -0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.31 1su5 h GLN 53 Cb 1.65 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.42 1su5 h GLN 53 CO 0.19 0.01 -1.39 0.87 -0.67 0.00 0.00 178.83 177.84 1su5 h LYS 54 N 0.02 0.25 -6.90 1.46 1.79 -1.21 -3.45 116.57 108.53 1su5 h LYS 54 Ca 0.05 -0.43 -0.51 0.00 -2.18 0.00 0.00 60.65 57.58 1su5 h LYS 54 Cb 0.06 0.16 0.04 0.00 -1.58 0.00 0.00 32.23 30.91 1su5 h LYS 54 CO -0.09 1.15 0.51 -0.51 -1.08 0.00 0.00 179.45 179.43 1su5 s LEU 55 N -7.04 4.32 0.22 2.94 1.43 -0.45 -4.92 118.68 115.19 1su5 s LEU 55 Ca -0.06 2.36 -0.32 0.00 -1.03 0.00 0.00 54.13 55.08 1su5 s LEU 55 Cb 0.07 -3.87 -0.14 0.00 0.03 0.00 0.00 46.19 42.28 1su5 s LEU 55 CO 0.87 -0.50 1.38 -0.67 0.23 0.00 0.00 176.35 177.66 1su5 n ASP 56 N 0.48 2.53 0.02 2.29 2.03 -1.26 -4.87 116.55 117.77 1su5 n ASP 56 Ca 0.02 1.14 0.22 0.00 0.52 0.00 0.00 54.79 56.69 1su5 n ASP 56 Cb 0.45 -1.39 0.73 0.00 -0.72 0.00 0.00 41.12 40.19 1su5 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1su5 h ALA 57 N 4.24 2.32 0.00 -1.67 0.00 -1.93 -0.61 119.26 121.61 1su5 h ALA 57 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1su5 h ALA 57 Cb 1.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1su5 h ALA 57 CO 0.76 -0.77 0.00 0.87 0.00 0.00 0.00 179.25 180.11 1su5 h LYS 58 N 0.00 0.00 -5.50 0.00 1.57 -1.98 -3.40 116.57 107.26 1su5 h LYS 58 Ca 0.25 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.43 1su5 h LYS 58 Cb 1.25 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.45 1su5 h LYS 58 CO -0.00 0.00 -0.13 0.42 -0.57 0.00 0.00 179.45 179.16 1su5 s ILE 59 N -3.40 5.16 0.61 1.86 1.01 -0.24 -4.71 121.20 121.49 1su5 s ILE 59 Ca 0.05 0.82 -0.07 0.00 0.00 0.00 0.00 60.65 61.45 1su5 s ILE 59 Cb 0.07 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1su5 s ILE 59 CO 0.60 0.23 0.94 -0.83 0.00 0.00 0.00 174.94 175.88 1su5 s GLY 60 N 1.04 1.60 -0.07 6.18 0.00 -0.51 -4.74 107.32 110.82 1su5 s GLY 60 Ca 0.22 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.39 1su5 s GLY 60 CO 0.09 -0.28 -0.13 0.14 0.00 0.00 0.00 173.10 172.92 1su5 s VAL 61 N -3.06 1.19 -0.10 1.40 1.01 -1.26 -0.25 120.40 119.32 1su5 s VAL 61 Ca 0.54 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1su5 s VAL 61 Cb -0.11 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1su5 s VAL 61 CO 0.47 0.37 -0.18 0.00 0.00 0.00 0.00 175.10 175.75 1su5 s ALA 62 N 0.63 2.42 0.62 5.51 0.00 0.44 -2.41 121.76 128.98 1su5 s ALA 62 Ca -0.15 -0.94 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 1su5 s ALA 62 Cb -0.16 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 1su5 s ALA 62 CO 0.04 0.32 1.18 0.00 0.00 0.00 0.00 175.76 177.30 1su5 s ALA 63 N 0.17 2.47 -1.93 0.00 0.00 0.22 -2.06 121.76 120.63 1su5 s ALA 63 Ca -0.10 0.89 0.28 0.00 0.00 0.00 0.00 51.96 53.02 1su5 s ALA 63 Cb -0.16 -3.42 1.01 0.00 0.00 0.00 0.00 23.12 20.55 1su5 s ALA 63 CO 0.06 -1.26 1.72 1.04 0.00 0.00 0.00 175.76 177.32 1su5 n GLN 64 N -1.89 1.02 0.00 0.00 6.02 -1.26 -0.24 117.38 121.04 1su5 n GLN 64 Ca 0.13 -0.52 0.00 0.00 -0.01 0.00 0.00 57.00 56.60 1su5 n GLN 64 Cb 0.50 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.27 1su5 n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1su5 n ASN 65 N -0.53 0.00 -2.29 1.08 5.15 -1.23 -4.61 115.26 112.83 1su5 n ASN 65 Ca 0.15 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 54.05 1su5 n ASN 65 Cb 0.32 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 1su5 n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1su5 s TYR 67 N -3.99 1.49 -2.12 0.00 5.04 0.95 -4.92 117.35 113.80 1su5 s TYR 67 Ca 0.15 -0.89 0.20 0.00 -2.44 0.00 0.00 57.07 54.09 1su5 s TYR 67 Cb -0.02 -1.88 0.35 0.00 0.35 0.00 0.00 41.96 40.76 1su5 s TYR 67 CO 0.11 -0.51 1.29 0.36 -1.34 0.00 0.00 175.55 175.47 1su5 n LYS 68 N -1.79 2.26 -4.17 4.97 2.85 -1.26 -4.53 118.16 116.49 1su5 n LYS 68 Ca -0.03 -2.08 -0.11 0.00 -1.05 0.00 0.00 58.31 55.04 1su5 n LYS 68 Cb 0.65 -1.43 -0.10 0.00 -0.65 0.00 0.00 35.03 33.49 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 -1.36 0.44 -0.30 0.58 -7.23 -1.26 -4.76 120.40 106.51 1su5 s VAL 69 Ca 0.32 -1.92 0.27 0.00 -1.81 0.00 0.00 61.98 58.84 1su5 s VAL 69 Cb 0.19 -1.89 0.35 0.00 0.56 0.00 0.00 36.38 35.59 1su5 s VAL 69 CO 0.27 -0.66 1.75 -0.65 -0.31 0.00 0.00 175.10 175.50 1su5 h PRO 70 N 2.89 0.00 -2.35 4.82 0.11 -1.98 -3.44 132.00 132.05 1su5 h PRO 70 Ca -0.35 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.86 1su5 h PRO 70 Cb 1.18 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 1su5 h PRO 70 CO 0.63 0.00 0.47 -1.59 -0.21 0.00 0.00 178.00 177.29 1su5 s LYS 71 N -3.35 0.91 0.00 1.05 -2.85 -1.26 -4.72 119.74 109.52 1su5 s LYS 71 Ca 0.05 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.67 1su5 s LYS 71 Cb 0.07 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 1su5 s LYS 71 CO 0.61 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 176.07 1su5 n GLY 72 N -0.28 1.13 3.08 0.59 0.00 -1.26 -5.00 105.19 103.45 1su5 n GLY 72 Ca -0.09 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.21 3.79 -3.43 4.61 0.00 -1.26 -4.70 120.51 118.31 1su5 n ALA 73 Ca 0.00 -3.48 -0.26 0.00 0.00 0.00 0.00 53.44 49.70 1su5 n ALA 73 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 19.45 15.77 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 7.91 0.90 -1.68 0.00 3.72 -1.26 -5.09 117.46 121.97 1su5 n PHE 74 Ca 0.50 -3.74 -0.46 0.00 -0.05 0.00 0.00 57.45 53.70 1su5 n PHE 74 Cb 0.41 -0.25 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 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 1.86 0.12 0.00 4.37 -1.04 -1.26 -1.51 114.28 116.82 1su5 n THR 75 Ca 0.25 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1su5 n THR 75 Cb 0.46 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 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 3.68 1.74 3.90 3.41 0.00 -1.26 -5.06 105.19 111.60 1su5 n GLY 76 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.78 3.67 0.17 1.61 0.41 -0.57 -5.12 118.70 118.09 1su5 s GLU 77 Ca 0.00 0.07 0.09 0.00 -0.41 0.00 0.00 54.97 54.72 1su5 s GLU 77 Cb 0.00 -2.64 -0.04 0.00 -1.78 0.00 0.00 34.13 29.67 1su5 s GLU 77 CO 0.00 0.23 -0.19 0.96 -0.49 0.00 0.00 175.26 175.77 1su5 s ILE 78 N -2.03 1.88 0.20 -1.63 -4.36 -1.26 -5.00 121.20 108.99 1su5 s ILE 78 Ca 0.45 -1.92 0.10 0.00 -0.26 0.00 0.00 60.65 59.02 1su5 s ILE 78 Cb -0.11 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 1su5 s ILE 78 CO 0.28 -0.28 -0.16 -0.94 0.24 0.00 0.00 174.94 174.09 1su5 s SER 79 N -2.63 3.89 0.33 4.36 1.04 -1.26 -0.04 113.70 119.39 1su5 s SER 79 Ca 0.16 -0.73 0.11 0.00 0.48 0.00 0.00 55.95 55.97 1su5 s SER 79 Cb -0.06 -0.51 0.97 0.00 0.10 0.00 0.00 66.02 66.52 1su5 s SER 79 CO 0.07 0.10 1.69 -0.65 0.98 0.00 0.00 173.24 175.43 1su5 h PRO 80 N 2.92 0.43 -0.88 4.02 0.11 -1.84 -0.69 132.00 136.06 1su5 h PRO 80 Ca -0.46 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1su5 h PRO 80 Cb 1.21 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1su5 h PRO 80 CO 0.52 0.28 0.58 0.00 -0.21 0.00 0.00 178.00 179.18 1su5 h ALA 81 N 1.79 1.50 -0.46 -0.75 0.00 -1.92 0.21 119.26 119.63 1su5 h ALA 81 Ca 0.68 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.48 1su5 h ALA 81 Cb 1.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1su5 h ALA 81 CO -0.55 0.39 -0.04 0.52 0.00 0.00 0.00 179.25 179.57 1su5 h MET 82 N 1.04 0.84 -0.56 0.00 2.86 -1.45 0.04 114.93 117.69 1su5 h MET 82 Ca 0.37 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1su5 h MET 82 Cb 0.13 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1su5 h MET 82 CO -0.13 0.91 0.16 0.82 1.06 0.00 0.00 176.91 179.73 1su5 h ILE 83 N 0.68 1.24 -0.46 -1.22 2.04 -0.66 -1.89 117.51 117.24 1su5 h ILE 83 Ca 0.12 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 1su5 h ILE 83 Cb 0.56 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1su5 h ILE 83 CO 0.03 0.31 -0.04 0.11 0.00 0.00 0.00 178.15 178.57 1su5 h LYS 84 N 0.80 0.78 -0.74 2.37 1.57 -0.63 -1.88 116.57 118.84 1su5 h LYS 84 Ca 0.18 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1su5 h LYS 84 Cb 0.32 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1su5 h LYS 84 CO -0.00 0.82 0.49 0.22 -0.57 0.00 0.00 179.45 180.40 1su5 h ASP 85 N 0.72 0.79 -0.18 0.86 3.58 -0.20 -0.20 116.42 121.80 1su5 h ASP 85 Ca 0.13 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1su5 h ASP 85 Cb 0.50 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1su5 h ASP 85 CO 0.03 0.56 0.00 2.30 -2.88 0.00 0.00 179.24 179.24 1su5 n ILE 86 N -4.44 0.22 -0.35 2.25 -6.64 -0.90 -4.95 119.36 104.55 1su5 n ILE 86 Ca 0.09 -0.38 0.00 0.00 -1.77 0.00 0.00 62.75 60.68 1su5 n ILE 86 Cb 0.09 0.46 0.00 0.00 -1.44 0.00 0.00 39.64 38.76 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 1.17 0.76 3.84 3.28 0.00 -0.09 -4.80 105.19 109.36 1su5 n GLY 87 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.31 3.09 -0.03 4.61 0.00 -0.72 -4.93 121.76 121.47 1su5 s ALA 88 Ca 0.00 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.19 1su5 s ALA 88 Cb 0.00 -3.09 0.06 0.00 0.00 0.00 0.00 23.12 20.09 1su5 s ALA 88 CO 0.00 -0.14 0.92 0.00 0.00 0.00 0.00 175.76 176.54 1su5 n ALA 89 N -1.37 1.84 -2.74 0.00 0.00 -1.15 -3.72 120.51 113.37 1su5 n ALA 89 Ca 0.06 -1.23 -0.10 0.00 0.00 0.00 0.00 53.44 52.18 1su5 n ALA 89 Cb 0.54 -0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.08 0.44 -0.00 0.00 0.52 -1.01 -0.71 118.94 117.09 1su5 s TRP 90 Ca 0.07 -0.65 0.01 0.00 0.02 0.00 0.00 56.10 55.55 1su5 s TRP 90 Cb 0.06 -0.30 -0.00 0.00 -1.15 0.00 0.00 33.47 32.08 1su5 s TRP 90 CO 0.01 -0.20 -0.04 0.54 0.02 0.00 0.00 176.95 177.27 1su5 s VAL 91 N -2.03 0.35 -0.02 4.03 0.11 -0.86 -0.61 120.40 121.37 1su5 s VAL 91 Ca -0.09 -0.19 -0.21 0.00 -2.93 0.00 0.00 61.98 58.56 1su5 s VAL 91 Cb -0.06 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 1su5 s VAL 91 CO -0.03 0.10 0.62 -0.63 -3.33 0.00 0.00 175.10 171.83 1su5 s ILE 92 N -0.10 4.93 0.03 7.04 1.01 0.67 -1.74 121.20 133.04 1su5 s ILE 92 Ca 0.02 1.29 0.04 0.00 0.00 0.00 0.00 60.65 61.99 1su5 s ILE 92 Cb -0.02 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1su5 s ILE 92 CO -0.00 0.38 -0.11 -0.76 0.00 0.00 0.00 174.94 174.45 1su5 s LEU 93 N 0.01 2.14 -0.93 2.97 1.43 -0.02 -3.50 118.68 120.79 1su5 s LEU 93 Ca 0.32 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1su5 s LEU 93 Cb -0.18 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.59 1su5 s LEU 93 CO 0.17 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1su5 n GLY 94 N 2.11 0.70 3.65 -3.19 0.00 -1.26 -0.57 105.19 106.62 1su5 n GLY 94 Ca -0.18 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.19 1.11 -0.30 1.61 -0.00 -1.26 -4.37 115.22 108.82 1su5 n HIS 95 Ca -0.10 0.43 0.13 0.00 0.46 0.00 0.00 57.72 58.63 1su5 n HIS 95 Cb 0.41 -2.17 0.29 0.00 -0.12 0.00 0.00 29.99 28.40 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 0.41 0.12 0.05 0.26 0.87 -1.91 0.40 113.55 113.75 1su5 h SER 96 Ca -0.49 0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.16 1su5 h SER 96 Cb 1.36 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.52 1su5 h SER 96 CO 0.51 -0.10 -0.28 -0.33 -0.53 0.00 0.00 176.83 176.10 1su5 h GLU 97 N 0.28 0.36 -0.45 2.24 5.08 -1.97 -1.24 114.58 118.88 1su5 h GLU 97 Ca 0.55 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.66 1su5 h GLU 97 Cb 1.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1su5 h GLU 97 CO -0.60 0.62 -0.15 0.00 -1.00 0.00 0.00 179.01 177.87 1su5 h ARG 98 N 0.32 0.86 -0.11 2.33 2.47 -1.26 -1.71 114.38 117.29 1su5 h ARG 98 Ca 0.05 -0.32 -0.18 0.00 -1.26 0.00 0.00 59.98 58.26 1su5 h ARG 98 Cb 0.66 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.94 1su5 h ARG 98 CO 0.05 0.96 -0.65 0.00 0.56 0.00 0.00 179.97 180.88 1su5 h ARG 99 N 0.77 0.63 0.00 0.04 3.08 -1.17 0.27 114.38 117.99 1su5 h ARG 99 Ca 0.12 -0.53 -0.04 0.00 0.07 0.00 0.00 59.98 59.60 1su5 h ARG 99 Cb 0.67 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1su5 h ARG 99 CO 0.05 1.15 -1.51 0.72 -1.07 0.00 0.00 179.97 179.31 1su5 n HIS 100 N -4.10 0.00 -0.07 3.04 8.25 -0.49 -2.65 115.22 119.21 1su5 n HIS 100 Ca -0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.17 1su5 n HIS 100 Cb 0.68 -0.29 -0.13 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.97 1.63 0.01 1.59 0.31 -0.69 -4.67 118.33 114.54 1su5 n VAL 101 Ca -0.05 -0.55 0.05 0.00 -0.01 0.00 0.00 64.34 63.78 1su5 n VAL 101 Cb 0.39 -1.65 0.11 0.00 -0.91 0.00 0.00 33.84 31.77 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 -3.54 0.29 -2.14 3.52 3.72 -0.90 -5.01 117.46 113.39 1su5 n PHE 102 Ca -0.39 -0.35 -0.10 0.00 -0.05 0.00 0.00 57.45 56.55 1su5 n PHE 102 Cb 0.98 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 39.49 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 0.44 0.02 3.67 1.37 0.00 -0.21 -4.89 105.19 105.59 1su5 n GLY 103 Ca 0.09 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.41 4.30 0.83 1.61 2.02 0.76 -4.95 118.70 118.87 1su5 s GLU 104 Ca 0.00 1.46 -0.12 0.00 0.02 0.00 0.00 54.97 56.33 1su5 s GLU 104 Cb 0.00 -3.64 0.10 0.00 0.10 0.00 0.00 34.13 30.69 1su5 s GLU 104 CO 0.00 -0.57 1.19 -1.54 0.02 0.00 0.00 175.26 174.36 1su5 s SER 105 N 1.38 4.27 0.25 -0.19 1.04 -1.26 -4.31 113.70 114.87 1su5 s SER 105 Ca 0.48 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1su5 s SER 105 Cb -0.18 -1.20 0.30 0.00 0.10 0.00 0.00 66.02 65.04 1su5 s SER 105 CO 0.12 -2.05 1.65 0.44 0.98 0.00 0.00 173.24 174.37 1su5 h ASP 106 N -1.16 0.56 -0.29 7.02 3.32 -1.99 -1.99 116.42 121.89 1su5 h ASP 106 Ca -0.46 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.34 1su5 h ASP 106 Cb 1.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1su5 h ASP 106 CO 0.63 0.85 0.09 -0.08 -1.72 0.00 0.00 179.24 179.01 1su5 h GLU 107 N 0.46 0.45 -0.37 3.56 4.81 -1.94 -0.33 114.58 121.23 1su5 h GLU 107 Ca 0.05 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1su5 h GLU 107 Cb 0.80 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1su5 h GLU 107 CO 0.06 0.51 0.19 1.25 -0.73 0.00 0.00 179.01 180.29 1su5 h LEU 108 N 0.31 0.48 -0.39 1.64 5.85 -1.92 -2.13 115.31 119.15 1su5 h LEU 108 Ca 0.09 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1su5 h LEU 108 Cb 0.25 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1su5 h LEU 108 CO -0.00 0.47 0.17 0.40 -0.34 0.00 0.00 178.44 179.13 1su5 h ILE 109 N 0.47 0.94 -0.65 4.05 2.04 -1.24 -1.00 117.51 122.11 1su5 h ILE 109 Ca 0.13 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.93 1su5 h ILE 109 Cb 0.11 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1su5 h ILE 109 CO -0.02 0.06 0.35 1.23 0.00 0.00 0.00 178.15 179.78 1su5 h GLY 110 N 0.35 0.96 1.00 5.37 0.00 -0.90 0.13 103.07 109.98 1su5 h GLY 110 Ca 0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1su5 h GLY 110 CO -0.14 0.13 0.27 1.46 0.00 0.00 0.00 176.54 178.26 1su5 h GLN 111 N 0.64 0.95 -1.00 4.80 4.20 -1.02 -0.59 115.11 123.08 1su5 h GLN 111 Ca 0.30 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1su5 h GLN 111 Cb 0.22 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 1su5 h GLN 111 CO -0.20 0.79 0.67 0.87 -0.67 0.00 0.00 178.83 180.28 1su5 h LYS 112 N 0.90 1.32 -0.37 1.46 1.57 -0.30 -0.82 116.57 120.33 1su5 h LYS 112 Ca 0.22 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1su5 h LYS 112 Cb 0.18 -0.30 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1su5 h LYS 112 CO -0.02 0.88 -0.17 0.28 -0.57 0.00 0.00 179.45 179.84 1su5 h VAL 113 N 1.36 1.28 -0.72 0.50 2.07 -0.22 -1.17 116.25 119.36 1su5 h VAL 113 Ca 0.37 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1su5 h VAL 113 Cb -0.16 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1su5 h VAL 113 CO -0.08 0.43 0.46 0.00 0.02 0.00 0.00 177.57 178.40 1su5 h ALA 114 N 0.80 0.93 0.13 1.67 0.00 -0.66 -2.26 119.26 119.86 1su5 h ALA 114 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1su5 h ALA 114 Cb 0.72 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1su5 h ALA 114 CO 0.05 0.26 -0.06 1.25 0.00 0.00 0.00 179.25 180.76 1su5 h HIS 115 N 0.91 -0.16 -0.58 0.00 6.17 -0.86 -2.37 115.15 118.26 1su5 h HIS 115 Ca 0.28 -0.00 0.08 0.00 0.71 0.00 0.00 60.37 61.43 1su5 h HIS 115 Cb -0.03 0.05 -0.06 0.00 2.52 0.00 0.00 27.41 29.89 1su5 h HIS 115 CO -0.03 0.30 0.25 0.00 0.71 0.00 0.00 177.93 179.16 1su5 h ALA 116 N 0.00 0.75 -0.70 5.26 0.00 -1.23 -0.32 119.26 123.03 1su5 h ALA 116 Ca -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1su5 h ALA 116 Cb 0.53 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1su5 h ALA 116 CO 0.03 -0.14 0.31 -0.07 0.00 0.00 0.00 179.25 179.38 1su5 h LEU 117 N 0.46 0.94 -1.36 0.00 3.38 -1.46 -0.63 115.31 116.63 1su5 h LEU 117 Ca 0.28 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1su5 h LEU 117 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1su5 h LEU 117 CO -0.25 0.83 -0.22 0.00 0.09 0.00 0.00 178.44 178.89 1su5 h ALA 118 N 1.15 1.12 -0.01 1.53 0.00 -0.84 -1.04 119.26 121.17 1su5 h ALA 118 Ca 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1su5 h ALA 118 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1su5 h ALA 118 CO -0.03 0.28 -0.01 0.39 0.00 0.00 0.00 179.25 179.89 1su5 n GLU 119 N -3.53 1.24 -0.76 0.00 -0.58 -0.19 -4.93 120.64 111.89 1su5 n GLU 119 Ca -0.01 -0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 1su5 n GLU 119 Cb 0.38 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 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 1.09 0.54 3.91 0.62 0.00 -0.39 -4.97 105.19 105.99 1su5 n GLY 120 Ca 0.21 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 4.01 0.34 0.99 1.43 -0.28 -4.97 118.68 120.20 1su5 s LEU 121 Ca 0.00 0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 53.76 1su5 s LEU 121 Cb 0.00 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 1su5 s LEU 121 CO 0.00 -0.24 0.64 -0.83 0.23 0.00 0.00 176.35 176.14 1su5 s GLY 122 N -3.31 1.86 -0.06 -3.19 0.00 0.11 -4.18 107.32 98.54 1su5 s GLY 122 Ca 0.44 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.74 1su5 s GLY 122 CO 0.32 -0.31 -0.14 0.14 0.00 0.00 0.00 173.10 173.10 1su5 s VAL 123 N -2.21 1.27 -0.60 1.40 1.01 -0.11 -2.02 120.40 119.13 1su5 s VAL 123 Ca 0.46 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 1su5 s VAL 123 Cb -0.10 -1.14 0.10 0.00 0.00 0.00 0.00 36.38 35.24 1su5 s VAL 123 CO 0.31 0.38 0.73 -0.63 0.00 0.00 0.00 175.10 175.90 1su5 s ILE 124 N 0.53 4.78 -0.20 2.22 1.01 -0.71 -1.01 121.20 127.81 1su5 s ILE 124 Ca -0.13 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 1su5 s ILE 124 Cb -0.15 -4.51 -0.02 0.00 0.01 0.00 0.00 42.46 37.78 1su5 s ILE 124 CO 0.04 -1.16 0.63 0.00 0.00 0.00 0.00 174.94 174.44 1su5 s ALA 125 N 2.79 3.55 0.01 9.38 0.00 -0.41 -0.84 121.76 136.23 1su5 s ALA 125 Ca 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 1su5 s ALA 125 Cb -0.23 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1su5 s ALA 125 CO 0.06 -0.57 0.13 0.00 0.00 0.00 0.00 175.76 175.37 1su5 s ILE 127 N -1.28 0.00 0.00 0.00 -4.36 -0.09 -4.67 121.20 110.80 1su5 s ILE 127 Ca 0.26 -1.77 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 1su5 s ILE 127 Cb -0.12 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.14 1su5 s ILE 127 CO 0.17 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.96 1su5 n GLY 128 N -0.40 4.01 3.76 6.27 0.00 -1.26 -1.27 105.19 116.29 1su5 n GLY 128 Ca 0.02 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.43 2.94 0.65 1.61 1.03 -1.26 -4.82 118.70 116.42 1su5 s GLU 129 Ca 0.00 -0.59 -0.13 0.00 0.03 0.00 0.00 54.97 54.28 1su5 s GLU 129 Cb 0.00 -2.77 -0.01 0.00 -0.80 0.00 0.00 34.13 30.55 1su5 s GLU 129 CO 0.00 0.61 1.06 0.15 -1.33 0.00 0.00 175.26 175.75 1su5 s LYS 130 N -1.96 3.08 0.20 -4.83 1.02 -1.26 -2.53 119.74 113.47 1su5 s LYS 130 Ca 0.25 1.08 -0.11 0.00 0.02 0.00 0.00 55.97 57.21 1su5 s LYS 130 Cb -0.12 -2.01 0.26 0.00 -0.52 0.00 0.00 37.83 35.44 1su5 s LYS 130 CO 0.16 -0.99 1.72 1.25 -0.92 0.00 0.00 175.35 176.57 1su5 h LEU 131 N -0.20 0.09 -1.02 3.17 5.85 -1.97 -1.41 115.31 119.82 1su5 h LEU 131 Ca -0.45 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.39 1su5 h LEU 131 Cb 1.22 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 1su5 h LEU 131 CO 0.57 0.06 0.66 -2.24 -0.34 0.00 0.00 178.44 177.15 1su5 h ASP 132 N 0.31 1.12 -0.46 1.25 2.03 -1.99 -1.30 116.42 117.37 1su5 h ASP 132 Ca 0.29 -0.02 -0.06 0.00 -0.73 0.00 0.00 57.03 56.52 1su5 h ASP 132 Cb 0.40 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 38.61 1su5 h ASP 132 CO -0.34 0.78 0.09 -0.33 -1.03 0.00 0.00 179.24 178.41 1su5 h GLU 133 N 1.30 0.82 -0.45 4.15 5.08 -1.68 -1.45 114.58 122.35 1su5 h GLU 133 Ca 0.39 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1su5 h GLU 133 Cb -0.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1su5 h GLU 133 CO -0.11 0.76 0.12 -0.09 -1.00 0.00 0.00 179.01 178.70 1su5 h ARG 134 N 0.78 0.71 0.00 2.33 2.43 -0.30 -1.78 114.38 118.55 1su5 h ARG 134 Ca 0.17 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1su5 h ARG 134 Cb 0.34 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1su5 h ARG 134 CO 0.00 0.70 -0.11 1.05 -1.51 0.00 0.00 179.97 180.11 1su5 h GLU 135 N 0.59 0.00 0.00 0.20 4.11 -1.15 -2.49 114.58 115.85 1su5 h GLU 135 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1su5 h GLU 135 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1su5 h GLU 135 CO -0.00 0.11 0.00 0.00 0.07 0.00 0.00 179.01 179.19 1su5 h ALA 136 N 1.89 1.00 0.00 1.06 0.00 -1.17 -3.47 119.26 118.57 1su5 h ALA 136 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1su5 h ALA 136 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1su5 h ALA 136 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1su5 n GLY 137 N 0.32 0.75 1.75 0.00 0.00 -0.94 -4.98 105.19 102.09 1su5 n GLY 137 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.08 2.86 -0.09 -0.61 -5.35 -0.70 -4.64 119.36 108.75 1su5 n ILE 138 Ca 0.00 -2.04 -0.07 0.00 -0.27 0.00 0.00 62.75 60.37 1su5 n ILE 138 Cb 0.00 -0.37 -0.01 0.00 -1.74 0.00 0.00 39.64 37.52 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 1.62 0.35 0.00 7.28 2.02 -1.83 -1.12 112.91 121.23 1su5 h THR 139 Ca 0.35 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.56 1su5 h THR 139 Cb 2.25 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 1su5 h THR 139 CO 0.72 0.00 -0.24 -0.08 0.37 0.00 0.00 175.52 176.29 1su5 h GLU 140 N -0.21 -0.36 -0.62 6.66 4.81 -1.95 -1.57 114.58 121.34 1su5 h GLU 140 Ca 0.17 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.52 1su5 h GLU 140 Cb 0.48 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.87 1su5 h GLU 140 CO -0.47 -0.24 0.25 -0.22 -0.73 0.00 0.00 179.01 177.60 1su5 h LYS 141 N -0.38 0.43 0.00 1.92 3.64 -1.73 0.19 116.57 120.65 1su5 h LYS 141 Ca 0.06 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1su5 h LYS 141 Cb 0.46 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1su5 h LYS 141 CO -0.21 0.29 -0.00 0.28 -2.27 0.00 0.00 179.45 177.53 1su5 h VAL 142 N 0.45 1.40 -0.33 2.00 2.07 -1.06 -2.06 116.25 118.72 1su5 h VAL 142 Ca 0.31 -1.18 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 1su5 h VAL 142 Cb 0.37 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1su5 h VAL 142 CO -0.29 0.31 -0.14 -0.37 0.02 0.00 0.00 177.57 177.09 1su5 h VAL 143 N -0.51 1.25 -0.32 2.57 -1.51 -1.09 -0.88 116.25 115.75 1su5 h VAL 143 Ca -0.00 -1.11 -0.03 0.00 -1.23 0.00 0.00 66.70 64.32 1su5 h VAL 143 Cb 0.51 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1su5 h VAL 143 CO 0.00 0.37 0.07 -0.26 -1.23 0.00 0.00 177.57 176.51 1su5 h PHE 144 N 0.53 0.54 -0.57 5.19 0.05 -0.98 0.41 116.94 122.10 1su5 h PHE 144 Ca 0.09 -0.07 0.04 0.00 3.82 0.00 0.00 57.97 61.85 1su5 h PHE 144 Cb 0.56 -0.15 -0.04 0.00 2.00 0.00 0.00 35.95 38.31 1su5 h PHE 144 CO 0.02 0.58 0.33 1.49 -0.18 0.00 0.00 178.31 180.55 1su5 h GLU 145 N 0.35 0.62 -0.43 1.51 4.81 -1.07 0.11 114.58 120.49 1su5 h GLU 145 Ca 0.10 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1su5 h GLU 145 Cb 0.31 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1su5 h GLU 145 CO 0.00 0.41 -0.10 1.96 -0.73 0.00 0.00 179.01 180.56 1su5 h GLN 146 N 0.64 0.82 -0.52 1.92 4.20 -0.90 -2.13 115.11 119.14 1su5 h GLN 146 Ca 0.24 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1su5 h GLN 146 Cb 0.08 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1su5 h GLN 146 CO -0.13 0.93 -0.08 1.15 -0.67 0.00 0.00 178.83 180.03 1su5 h THR 147 N 0.64 1.27 -0.77 -0.54 2.02 0.21 -2.54 112.91 113.20 1su5 h THR 147 Ca 0.11 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1su5 h THR 147 Cb 0.63 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1su5 h THR 147 CO 0.04 0.43 0.46 0.50 0.37 0.00 0.00 175.52 177.32 1su5 h LYS 148 N 0.85 1.05 -0.28 6.66 3.64 -0.69 0.49 116.57 128.29 1su5 h LYS 148 Ca 0.14 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1su5 h LYS 148 Cb 0.64 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1su5 h LYS 148 CO 0.04 0.75 -0.24 0.00 -2.27 0.00 0.00 179.45 177.73 1su5 h ALA 149 N 1.25 1.07 0.17 5.00 0.00 -1.21 0.14 119.26 125.68 1su5 h ALA 149 Ca 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1su5 h ALA 149 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1su5 h ALA 149 CO -0.05 0.57 -0.08 0.82 0.00 0.00 0.00 179.25 180.50 1su5 h ILE 150 N 0.47 0.94 -0.06 0.00 2.04 -1.13 -3.34 117.51 116.42 1su5 h ILE 150 Ca 0.07 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1su5 h ILE 150 Cb 0.67 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1su5 h ILE 150 CO 0.05 0.14 -0.02 0.00 0.00 0.00 0.00 178.15 178.32 1su5 h ALA 151 N 0.22 1.85 0.00 1.87 0.00 0.92 -0.28 119.26 123.84 1su5 h ALA 151 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1su5 h ALA 151 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1su5 h ALA 151 CO 0.04 0.12 0.00 -0.44 0.00 0.00 0.00 179.25 178.97 1su5 h ASP 152 N 0.09 0.00 -0.03 0.00 3.32 -0.88 -2.60 116.42 116.32 1su5 h ASP 152 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1su5 h ASP 152 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1su5 h ASP 152 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1su5 n ASN 153 N -2.40 2.23 -4.18 6.45 3.02 -0.12 -4.94 115.26 115.32 1su5 n ASN 153 Ca -0.01 -2.36 -0.35 0.00 -0.03 0.00 0.00 54.58 51.83 1su5 n ASN 153 Cb 0.10 -0.16 -0.14 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.63 3.04 -0.06 2.41 1.01 -0.98 -4.04 120.40 120.14 1su5 s VAL 154 Ca 0.13 -1.39 -0.06 0.00 0.00 0.00 0.00 61.98 60.66 1su5 s VAL 154 Cb 0.10 -2.75 -0.28 0.00 0.00 0.00 0.00 36.38 33.45 1su5 s VAL 154 CO 0.02 -0.12 0.60 0.11 0.00 0.00 0.00 175.10 175.71 1su5 h LYS 155 N 8.01 0.30 -4.52 2.72 1.57 -1.92 -3.45 116.57 119.27 1su5 h LYS 155 Ca -0.21 -0.51 -0.64 0.00 -1.87 0.00 0.00 60.65 57.42 1su5 h LYS 155 Cb 1.06 0.19 -0.38 0.00 0.08 0.00 0.00 32.23 33.18 1su5 h LYS 155 CO 0.54 1.19 -0.77 0.34 -0.57 0.00 0.00 179.45 180.18 1su5 s ASP 156 N -7.06 4.30 0.00 0.86 3.68 -1.26 -4.97 116.67 112.21 1su5 s ASP 156 Ca -0.16 -1.56 0.28 0.00 2.13 0.00 0.00 52.55 53.24 1su5 s ASP 156 Cb 0.06 -1.38 1.29 0.00 -1.45 0.00 0.00 42.92 41.44 1su5 s ASP 156 CO 0.82 -0.28 1.93 0.79 0.13 0.00 0.00 175.17 178.56 1su5 n TRP 157 N 4.50 0.00 0.31 -5.34 7.02 -1.26 -3.76 117.44 118.91 1su5 n TRP 157 Ca -0.07 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.60 1su5 n TRP 157 Cb 0.43 -0.40 1.05 0.00 -2.42 0.00 0.00 31.31 29.98 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 -0.17 -0.99 4.64 -1.96 -1.64 113.55 113.42 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 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1su5 h SER 158 CO 0.00 0.00 -0.01 0.29 -0.87 0.00 0.00 176.83 176.24 1su5 n LYS 159 N -3.41 2.29 -4.85 4.77 5.02 -1.25 -4.98 118.16 115.75 1su5 n LYS 159 Ca -0.03 -2.76 -0.33 0.00 -2.02 0.00 0.00 58.31 53.17 1su5 n LYS 159 Cb 0.12 -1.72 -0.13 0.00 -0.02 0.00 0.00 35.03 33.28 1su5 n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1su5 s VAL 160 N -2.86 3.15 -0.18 -0.18 1.01 -0.62 -0.93 120.40 119.78 1su5 s VAL 160 Ca 0.39 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1su5 s VAL 160 Cb 0.32 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1su5 s VAL 160 CO 0.06 0.59 -0.17 -0.69 0.00 0.00 0.00 175.10 174.89 1su5 s VAL 161 N -0.69 1.89 0.17 2.92 1.01 -0.18 -4.39 120.40 121.13 1su5 s VAL 161 Ca 0.11 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1su5 s VAL 161 Cb -0.11 -1.76 -0.07 0.00 0.00 0.00 0.00 36.38 34.44 1su5 s VAL 161 CO 0.01 0.46 1.12 -0.76 0.00 0.00 0.00 175.10 175.93 1su5 s LEU 162 N 1.35 4.47 -0.22 3.92 1.43 0.24 -1.28 118.68 128.59 1su5 s LEU 162 Ca 0.04 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.25 1su5 s LEU 162 Cb -0.14 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.54 1su5 s LEU 162 CO -0.12 -0.27 -0.06 0.00 0.23 0.00 0.00 176.35 176.13 1su5 s ALA 163 N -0.08 1.89 -0.39 4.21 0.00 0.61 0.32 121.76 128.32 1su5 s ALA 163 Ca 0.51 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.06 1su5 s ALA 163 Cb -0.30 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.48 1su5 s ALA 163 CO 0.35 -1.05 0.46 -0.47 0.00 0.00 0.00 175.76 175.05 1su5 s TYR 164 N 1.43 3.17 -0.31 0.00 5.04 0.64 -0.91 117.35 126.40 1su5 s TYR 164 Ca -0.04 -0.15 -0.01 0.00 -2.44 0.00 0.00 57.07 54.44 1su5 s TYR 164 Cb -0.18 -2.90 0.10 0.00 0.35 0.00 0.00 41.96 39.33 1su5 s TYR 164 CO -0.07 -0.63 0.10 -1.83 -1.34 0.00 0.00 175.55 171.78 1su5 s GLU 165 N 2.24 0.71 0.17 4.97 -1.05 -0.40 -0.78 118.70 124.57 1su5 s GLU 165 Ca 0.15 -1.08 -0.30 0.00 -0.15 0.00 0.00 54.97 53.58 1su5 s GLU 165 Cb -0.16 -1.97 -0.09 0.00 -0.44 0.00 0.00 34.13 31.47 1su5 s GLU 165 CO 0.14 -0.99 1.35 -1.25 0.95 0.00 0.00 175.26 175.46 1su5 s PRO 166 N 1.59 4.35 0.35 -4.83 0.04 -1.26 -4.14 135.00 131.10 1su5 s PRO 166 Ca 0.10 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.27 1su5 s PRO 166 Cb -0.17 -3.20 0.68 0.00 0.04 0.00 0.00 34.50 31.84 1su5 s PRO 166 CO -0.25 -0.34 1.95 0.28 0.04 0.00 0.00 177.00 178.69 1su5 h VAL 167 N 3.90 1.05 0.00 -0.36 2.07 -1.81 -0.66 116.25 120.44 1su5 h VAL 167 Ca -0.44 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1su5 h VAL 167 Cb 1.21 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1su5 h VAL 167 CO 0.81 0.15 0.00 -2.67 0.02 0.00 0.00 177.57 175.88 1su5 n TRP 168 N -4.47 0.00 0.39 1.57 4.27 -1.26 -2.67 117.44 115.27 1su5 n TRP 168 Ca 0.11 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.77 1su5 n TRP 168 Cb 0.20 -0.06 -0.07 0.00 -1.36 0.00 0.00 31.31 30.02 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 -1.06 3.21 -2.55 -1.67 0.00 -0.26 -4.70 120.51 113.49 1su5 n ALA 169 Ca 0.16 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 1su5 n ALA 169 Cb 0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.28 4.49 0.00 0.00 1.01 -1.09 -2.24 121.20 121.08 1su5 s ILE 170 Ca 0.02 1.80 0.00 0.00 0.00 0.00 0.00 60.65 62.47 1su5 s ILE 170 Cb 0.08 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1su5 s ILE 170 CO 0.48 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1su5 n GLY 171 N 3.47 0.44 0.01 6.18 0.00 -1.26 -4.84 105.19 109.18 1su5 n GLY 171 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.14 0.04 -1.35 2.61 -2.24 -1.24 -4.95 114.28 105.01 1su5 n THR 172 Ca 0.00 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1su5 n THR 172 Cb 0.07 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.46 1.25 2.54 3.38 0.00 -1.26 -4.96 105.19 107.60 1su5 n GLY 173 Ca 0.04 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.50 3.65 -4.85 1.61 3.02 -1.26 -5.09 115.26 111.84 1su5 n ASN 174 Ca -0.12 -3.40 -0.32 0.00 -0.03 0.00 0.00 54.58 50.71 1su5 n ASN 174 Cb 0.47 -0.70 -0.04 0.00 -0.61 0.00 0.00 39.78 38.90 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 -2.27 3.97 0.32 3.52 0.04 -1.26 -4.18 135.00 135.14 1su5 s PRO 175 Ca 0.37 0.86 -0.27 0.00 0.04 0.00 0.00 61.00 62.00 1su5 s PRO 175 Cb 0.11 -2.22 -0.14 0.00 0.04 0.00 0.00 34.50 32.29 1su5 s PRO 175 CO -0.04 -0.14 0.88 0.09 0.04 0.00 0.00 177.00 177.82 1su5 n ASN 176 N -1.24 0.64 -4.75 6.66 4.13 -1.26 -4.97 115.26 114.47 1su5 n ASN 176 Ca 0.06 1.11 -0.31 0.00 1.68 0.00 0.00 54.58 57.11 1su5 n ASN 176 Cb 0.54 -1.23 0.10 0.00 -1.54 0.00 0.00 39.78 37.65 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 -1.14 3.09 0.28 3.41 -4.23 -1.26 -4.83 115.64 110.95 1su5 s THR 177 Ca 0.61 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.49 1su5 s THR 177 Cb -0.69 -2.80 0.29 0.00 1.34 0.00 0.00 72.50 70.64 1su5 s THR 177 CO 0.59 -0.44 1.66 -0.65 -0.54 0.00 0.00 174.62 175.24 1su5 h PRO 178 N -1.07 0.22 -0.17 3.99 0.11 -1.93 -2.04 132.00 131.11 1su5 h PRO 178 Ca -0.44 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.67 1su5 h PRO 178 Cb 1.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1su5 h PRO 178 CO 0.50 0.14 0.08 1.96 -0.21 0.00 0.00 178.00 180.47 1su5 h GLN 179 N 0.22 0.17 -0.53 1.05 7.50 -1.94 -1.05 115.11 120.53 1su5 h GLN 179 Ca 0.52 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.65 1su5 h GLN 179 Cb 1.01 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.48 1su5 h GLN 179 CO -0.62 0.11 0.29 1.96 -1.50 0.00 0.00 178.83 179.06 1su5 h GLN 180 N 0.17 0.75 -0.25 1.46 4.20 -1.79 -1.60 115.11 118.04 1su5 h GLN 180 Ca 0.07 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1su5 h GLN 180 Cb 0.02 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1su5 h GLN 180 CO -0.05 0.58 0.02 0.00 -0.67 0.00 0.00 178.83 178.71 1su5 h ALA 181 N 1.12 0.34 -0.56 3.87 0.00 -1.29 -2.75 119.26 119.98 1su5 h ALA 181 Ca 0.19 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1su5 h ALA 181 Cb 0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1su5 h ALA 181 CO -0.03 0.04 0.19 0.37 0.00 0.00 0.00 179.25 179.82 1su5 h GLN 182 N 0.23 0.34 -0.11 0.00 5.75 -1.07 -0.45 115.11 119.80 1su5 h GLN 182 Ca 0.07 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1su5 h GLN 182 Cb 0.37 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 1su5 h GLN 182 CO 0.01 0.23 -0.08 1.49 -2.65 0.00 0.00 178.83 177.83 1su5 h GLU 183 N 0.35 -0.08 -0.22 1.69 4.81 -1.09 0.16 114.58 120.20 1su5 h GLU 183 Ca 0.28 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.37 1su5 h GLU 183 Cb 0.35 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1su5 h GLU 183 CO -0.31 -0.05 -0.44 0.28 -0.73 0.00 0.00 179.01 177.77 1su5 h VAL 184 N -0.08 1.31 -0.93 0.32 2.07 -1.24 -2.61 116.25 115.10 1su5 h VAL 184 Ca 0.07 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 65.98 1su5 h VAL 184 Cb 0.19 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 1su5 h VAL 184 CO -0.16 0.52 0.60 0.45 0.02 0.00 0.00 177.57 179.00 1su5 h HIS 185 N 0.39 1.13 -0.78 1.57 3.86 -0.91 -1.69 115.15 118.72 1su5 h HIS 185 Ca 0.01 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1su5 h HIS 185 Cb 1.04 -0.37 -0.04 0.00 1.06 0.00 0.00 27.41 29.10 1su5 h HIS 185 CO 0.09 0.64 0.41 1.49 0.86 0.00 0.00 177.93 181.42 1su5 h GLU 186 N 1.16 1.09 -0.14 2.45 4.81 -0.58 -1.59 114.58 121.79 1su5 h GLU 186 Ca 0.38 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 59.31 1su5 h GLU 186 Cb 0.03 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1su5 h GLU 186 CO -0.13 0.82 -0.58 0.87 -0.73 0.00 0.00 179.01 179.26 1su5 h LYS 187 N 1.08 0.44 -0.38 1.92 1.57 -1.06 -1.07 116.57 119.06 1su5 h LYS 187 Ca 0.27 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1su5 h LYS 187 Cb 0.05 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1su5 h LYS 187 CO -0.04 0.90 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.41 1su5 h LEU 188 N 0.33 0.90 -0.86 2.94 3.38 -1.14 -0.20 115.31 120.66 1su5 h LEU 188 Ca -0.00 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 1su5 h LEU 188 Cb 1.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1su5 h LEU 188 CO 0.10 1.14 0.00 -0.09 0.09 0.00 0.00 178.44 179.68 1su5 h ARG 189 N 0.66 0.85 -0.84 1.13 2.43 -1.10 0.10 114.38 117.62 1su5 h ARG 189 Ca 0.08 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1su5 h ARG 189 Cb 0.84 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 1su5 h ARG 189 CO 0.07 0.85 0.51 0.78 -1.51 0.00 0.00 179.97 180.67 1su5 h GLY 190 N 0.98 1.21 0.81 2.80 0.00 -0.99 -0.79 103.07 107.09 1su5 h GLY 190 Ca 0.15 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1su5 h GLY 190 CO 0.02 0.48 -0.22 -0.25 0.00 0.00 0.00 176.54 176.57 1su5 h TRP 191 N 1.15 -0.59 -0.90 5.60 7.01 0.22 -1.50 115.95 126.93 1su5 h TRP 191 Ca 0.30 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.43 1su5 h TRP 191 Cb -0.05 0.22 -0.07 0.00 -2.10 0.00 0.00 29.16 27.16 1su5 h TRP 191 CO -0.00 -0.34 0.58 -0.07 -2.79 0.00 0.00 178.44 175.82 1su5 h LEU 192 N -0.52 0.71 -0.53 0.65 3.38 -0.70 0.10 115.31 118.41 1su5 h LEU 192 Ca -0.02 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1su5 h LEU 192 Cb 0.45 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1su5 h LEU 192 CO -0.01 0.37 -0.35 0.50 0.09 0.00 0.00 178.44 179.04 1su5 h LYS 193 N 0.75 0.82 0.00 1.13 3.64 -0.69 0.03 116.57 122.25 1su5 h LYS 193 Ca 0.45 -0.40 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 1su5 h LYS 193 Cb 0.65 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1su5 h LYS 193 CO -0.21 1.03 -1.11 0.66 -2.27 0.00 0.00 179.45 177.55 1su5 h SER 194 N 0.68 0.00 0.00 4.20 4.64 -0.40 -3.36 113.55 119.31 1su5 h SER 194 Ca 0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1su5 h SER 194 Cb 0.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1su5 h SER 194 CO 0.08 0.67 -1.83 1.41 -0.87 0.00 0.00 176.83 176.29 1su5 n HIS 195 N -3.08 0.00 0.00 4.77 8.25 0.28 -4.91 115.22 120.53 1su5 n HIS 195 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1su5 n HIS 195 Cb 0.85 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 -2.18 0.00 -3.49 1.59 0.31 -0.08 -5.05 118.33 109.43 1su5 n VAL 196 Ca -0.08 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.16 1su5 n VAL 196 Cb 0.55 -0.42 -0.02 0.00 -0.91 0.00 0.00 33.84 33.04 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 0.69 -0.42 0.21 4.52 1.04 -0.75 -5.00 113.70 114.00 1su5 s SER 197 Ca 0.00 -0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 1su5 s SER 197 Cb 0.00 0.45 0.26 0.00 0.10 0.00 0.00 66.02 66.83 1su5 s SER 197 CO 0.00 -0.73 1.76 0.44 0.98 0.00 0.00 173.24 175.69 1su5 h ASP 198 N 2.00 0.32 -0.25 7.02 3.32 -1.83 -1.73 116.42 125.26 1su5 h ASP 198 Ca -0.26 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1su5 h ASP 198 Cb 1.26 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1su5 h ASP 198 CO 0.33 0.20 0.05 0.00 -1.72 0.00 0.00 179.24 178.09 1su5 h ALA 199 N 1.39 0.33 -0.03 3.45 0.00 -1.95 -1.33 119.26 121.13 1su5 h ALA 199 Ca 0.30 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1su5 h ALA 199 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1su5 h ALA 199 CO -0.27 0.01 -0.28 0.28 0.00 0.00 0.00 179.25 178.99 1su5 h VAL 200 N 0.23 1.22 -0.14 0.00 2.07 -1.90 -0.79 116.25 116.93 1su5 h VAL 200 Ca 0.08 -1.02 -0.18 0.00 0.82 0.00 0.00 66.70 66.40 1su5 h VAL 200 Cb 0.31 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1su5 h VAL 200 CO 0.00 0.30 -0.65 0.00 0.02 0.00 0.00 177.57 177.24 1su5 h ALA 201 N 1.67 0.60 0.00 1.67 0.00 -0.90 -2.14 119.26 120.17 1su5 h ALA 201 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1su5 h ALA 201 Cb 0.53 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1su5 h ALA 201 CO 0.04 0.72 -0.53 0.37 0.00 0.00 0.00 179.25 179.84 1su5 h GLN 202 N 0.39 0.00 0.00 0.00 5.75 -0.94 -3.36 115.11 116.95 1su5 h GLN 202 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1su5 h GLN 202 Cb 1.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.77 1su5 h GLN 202 CO 0.12 0.50 -1.74 -1.13 -2.65 0.00 0.00 178.83 173.94 1su5 n SER 203 N -3.22 0.96 -4.75 -0.69 3.41 -0.33 -4.68 113.62 104.31 1su5 n SER 203 Ca 0.02 -0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 58.17 1su5 n SER 203 Cb 0.74 1.75 -0.05 0.00 -0.26 0.00 0.00 64.21 66.39 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 -3.18 4.71 -0.05 6.66 2.01 -0.81 -4.90 115.64 120.08 1su5 s THR 204 Ca -0.06 1.57 -0.26 0.00 0.31 0.00 0.00 61.69 63.26 1su5 s THR 204 Cb 0.11 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1su5 s THR 204 CO 0.73 0.40 0.80 -0.13 -0.69 0.00 0.00 174.62 175.73 1su5 s ARG 205 N -0.26 4.47 -0.33 4.92 3.00 -1.26 -4.97 118.95 124.53 1su5 s ARG 205 Ca 0.37 1.07 -0.00 0.00 0.00 0.00 0.00 55.73 57.16 1su5 s ARG 205 Cb -0.20 -3.46 0.07 0.00 0.00 0.00 0.00 34.95 31.36 1su5 s ARG 205 CO 0.22 0.01 0.04 0.42 0.00 0.00 0.00 175.30 175.99 1su5 s ILE 206 N 0.94 2.81 0.14 1.52 1.01 -1.25 -0.59 121.20 125.77 1su5 s ILE 206 Ca 0.42 -1.75 0.00 0.00 0.00 0.00 0.00 60.65 59.33 1su5 s ILE 206 Cb -0.19 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1su5 s ILE 206 CO 0.21 -0.32 0.30 0.27 0.00 0.00 0.00 174.94 175.41 1su5 s ILE 207 N 1.14 5.29 -0.20 2.92 -4.36 0.15 -1.51 121.20 124.64 1su5 s ILE 207 Ca 0.00 -0.43 -0.09 0.00 -0.26 0.00 0.00 60.65 59.87 1su5 s ILE 207 Cb -0.20 -3.69 -0.05 0.00 1.25 0.00 0.00 42.46 39.77 1su5 s ILE 207 CO -0.04 -0.03 0.11 -0.47 0.24 0.00 0.00 174.94 174.75 1su5 s TYR 208 N -1.70 3.33 0.09 1.37 6.14 0.01 -0.26 117.35 126.33 1su5 s TYR 208 Ca 0.36 0.20 0.09 0.00 0.64 0.00 0.00 57.07 58.37 1su5 s TYR 208 Cb -0.12 -2.15 -0.03 0.00 0.42 0.00 0.00 41.96 40.08 1su5 s TYR 208 CO 0.28 0.19 -0.25 0.20 0.64 0.00 0.00 175.55 176.61 1su5 s GLY 209 N 0.50 1.40 0.00 8.97 0.00 0.04 -1.14 107.32 117.09 1su5 s GLY 209 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1su5 s GLY 209 CO -0.00 -1.26 0.00 0.61 0.00 0.00 0.00 173.10 172.44 1su5 n GLY 210 N 1.31 0.92 2.51 0.20 0.00 -1.25 -4.06 105.19 104.81 1su5 n GLY 210 Ca -0.18 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.16 -4.71 1.61 7.64 -0.95 -4.30 113.62 108.74 1su5 n SER 211 Ca 0.00 -0.21 -0.42 0.00 1.01 0.00 0.00 58.87 59.25 1su5 n SER 211 Cb 0.00 -2.93 -0.03 0.00 -1.01 0.00 0.00 64.21 60.24 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 -2.99 4.60 0.27 0.44 1.01 -1.26 -4.66 120.40 117.81 1su5 s VAL 212 Ca 0.22 1.91 0.05 0.00 0.00 0.00 0.00 61.98 64.16 1su5 s VAL 212 Cb -0.10 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 1su5 s VAL 212 CO 0.28 0.17 -0.01 0.42 0.00 0.00 0.00 175.10 175.96 1su5 s THR 213 N 0.84 1.32 0.56 3.92 -4.23 -1.26 -4.56 115.64 112.22 1su5 s THR 213 Ca 0.53 -2.06 0.26 0.00 -1.18 0.00 0.00 61.69 59.23 1su5 s THR 213 Cb -0.24 -2.48 0.36 0.00 1.34 0.00 0.00 72.50 71.48 1su5 s THR 213 CO 0.29 -0.25 2.08 1.23 -0.54 0.00 0.00 174.62 177.43 1su5 h GLY 214 N 2.32 0.00 1.84 3.99 0.00 -1.93 -0.58 103.07 108.71 1su5 h GLY 214 Ca -0.39 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.71 1su5 h GLY 214 CO 0.67 0.00 -1.06 -1.33 0.00 0.00 0.00 176.54 174.81 1su5 h GLY 215 N 0.00 0.14 -0.11 4.60 0.00 -1.96 -3.37 103.07 102.38 1su5 h GLY 215 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1su5 h GLY 215 CO -0.00 0.30 -0.75 1.16 0.00 0.00 0.00 176.54 177.25 1su5 n ASN 216 N -3.47 0.93 0.02 0.19 0.23 -1.02 -4.69 115.26 107.46 1su5 n ASN 216 Ca -0.04 -0.96 -0.11 0.00 -0.53 0.00 0.00 54.58 52.94 1su5 n ASN 216 Cb 0.95 0.93 0.03 0.00 -2.08 0.00 0.00 39.78 39.60 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 0.37 0.16 0.00 0.00 3.64 -1.80 0.63 116.57 119.56 1su5 h LYS 218 Ca -0.02 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.13 1su5 h LYS 218 Cb 1.23 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1su5 h LYS 218 CO 0.12 0.10 -1.14 0.93 -2.27 0.00 0.00 179.45 177.20 1su5 h GLU 219 N 0.16 0.00 -0.41 1.90 5.08 -1.88 -2.80 114.58 116.63 1su5 h GLU 219 Ca 0.36 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.59 1su5 h GLU 219 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1su5 h GLU 219 CO -0.53 0.84 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.01 1su5 h LEU 220 N 0.00 0.86 -1.21 1.33 3.38 -1.38 -3.23 115.31 115.06 1su5 h LEU 220 Ca -0.08 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 1su5 h LEU 220 Cb 1.80 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1su5 h LEU 220 CO 0.11 1.06 -0.38 0.00 0.09 0.00 0.00 178.44 179.32 1su5 h ALA 221 N 1.00 1.35 0.00 1.53 0.00 -0.80 -2.98 119.26 119.36 1su5 h ALA 221 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1su5 h ALA 221 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1su5 h ALA 221 CO 0.06 0.49 0.00 -1.13 0.00 0.00 0.00 179.25 178.67 1su5 n SER 222 N -4.08 0.21 -4.77 0.00 3.41 -1.06 -4.79 113.62 102.54 1su5 n SER 222 Ca -0.02 0.53 -0.38 0.00 -0.26 0.00 0.00 58.87 58.74 1su5 n SER 222 Cb 0.42 -0.58 -0.01 0.00 -0.26 0.00 0.00 64.21 63.77 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 -3.05 3.94 0.40 4.33 -1.52 -1.13 -4.92 119.66 117.71 1su5 s GLN 223 Ca 0.10 1.90 0.11 0.00 -1.95 0.00 0.00 55.36 55.52 1su5 s GLN 223 Cb 0.14 -2.62 0.92 0.00 -0.22 0.00 0.00 33.01 31.23 1su5 s GLN 223 CO 0.45 -0.43 1.97 1.25 -0.25 0.00 0.00 175.29 178.27 1su5 h HIS 224 N 2.48 0.57 -0.13 0.91 2.76 -1.90 -3.02 115.15 116.81 1su5 h HIS 224 Ca -0.49 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1su5 h HIS 224 Cb 1.24 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.02 1su5 h HIS 224 CO 0.54 0.28 0.00 -0.25 -1.30 0.00 0.00 177.93 177.20 1su5 n ASP 225 N -4.48 2.25 -4.43 3.26 9.92 -1.26 -4.88 116.55 116.94 1su5 n ASP 225 Ca 0.10 -1.87 -0.44 0.00 -0.53 0.00 0.00 54.79 52.06 1su5 n ASP 225 Cb 0.32 -0.09 -0.08 0.00 -0.64 0.00 0.00 41.12 40.63 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 -0.90 5.19 -2.19 2.53 1.01 -1.14 -4.69 120.40 120.21 1su5 s VAL 226 Ca 0.10 -0.79 0.19 0.00 0.00 0.00 0.00 61.98 61.48 1su5 s VAL 226 Cb 0.05 -4.06 0.43 0.00 0.00 0.00 0.00 36.38 32.80 1su5 s VAL 226 CO 0.07 -0.49 1.43 0.47 0.00 0.00 0.00 175.10 176.58 1su5 n ASP 227 N 5.32 2.43 0.00 3.32 10.43 -0.57 -4.71 116.55 132.78 1su5 n ASP 227 Ca -0.11 -1.90 0.00 0.00 2.57 0.00 0.00 54.79 55.35 1su5 n ASP 227 Cb 0.45 -0.23 0.00 0.00 1.84 0.00 0.00 41.12 43.18 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 1.27 0.43 2.93 0.44 0.00 -1.26 -1.59 105.19 107.42 1su5 n GLY 228 Ca 0.17 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.24 -0.07 -0.33 1.61 0.08 -0.12 -0.81 117.98 115.11 1su5 s PHE 229 Ca 0.00 0.20 -0.15 0.00 0.12 0.00 0.00 56.93 57.10 1su5 s PHE 229 Cb 0.00 0.01 -0.02 0.00 -0.57 0.00 0.00 43.02 42.44 1su5 s PHE 229 CO 0.00 -0.05 0.34 -1.17 -0.10 0.00 0.00 175.22 174.24 1su5 s LEU 230 N 0.14 4.36 -0.14 -0.37 2.96 -0.29 -1.00 118.68 124.34 1su5 s LEU 230 Ca -0.01 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1su5 s LEU 230 Cb -0.02 -2.31 -0.00 0.00 0.50 0.00 0.00 46.19 44.36 1su5 s LEU 230 CO -0.00 -0.28 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.89 1su5 s VAL 231 N 1.97 2.60 0.00 1.68 1.01 -0.25 -3.95 120.40 123.46 1su5 s VAL 231 Ca 0.11 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1su5 s VAL 231 Cb -0.16 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1su5 s VAL 231 CO 0.11 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1su5 n GLY 232 N 3.89 -0.09 0.27 4.51 0.00 -1.26 0.51 105.19 113.02 1su5 n GLY 232 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.86 1su5 n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1su5 h GLY 233 N 0.00 0.69 2.00 -0.02 0.00 -1.92 0.25 103.07 104.07 1su5 h GLY 233 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1su5 h GLY 233 CO 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 176.54 176.26 1su5 h ALA 234 N 1.71 1.00 0.00 3.60 0.00 -1.88 -2.97 119.26 120.72 1su5 h ALA 234 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1su5 h ALA 234 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1su5 h ALA 234 CO -0.70 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.21 1su5 h SER 235 N 0.00 0.00 0.18 0.00 4.64 -1.15 -1.81 113.55 115.41 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 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1su5 h SER 235 CO 0.00 0.00 -0.17 0.18 -0.87 0.00 0.00 176.83 175.97 1su5 n LEU 236 N -2.50 1.06 -4.57 5.97 4.77 -1.12 -4.89 117.00 115.73 1su5 n LEU 236 Ca 0.01 -0.29 -0.24 0.00 -0.03 0.00 0.00 56.01 55.47 1su5 n LEU 236 Cb 0.23 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1su5 n LEU 236 CO 0.21 0.19 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.54 1su5 s LYS 237 N -2.36 1.97 0.59 3.23 1.02 -0.69 -5.00 119.74 118.51 1su5 s LYS 237 Ca 0.29 -1.67 0.29 0.00 0.02 0.00 0.00 55.97 54.89 1su5 s LYS 237 Cb 0.20 -1.92 1.68 0.00 -0.52 0.00 0.00 37.83 37.27 1su5 s LYS 237 CO 0.46 0.27 2.12 -1.35 -0.92 0.00 0.00 175.35 175.94 1su5 h PRO 238 N 2.02 0.00 0.00 -1.68 0.11 -1.92 -2.07 132.00 128.45 1su5 h PRO 238 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 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 0.63 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.57 1su5 n GLU 239 N -3.80 0.25 -0.12 1.05 0.28 -1.26 -2.10 120.64 114.93 1su5 n GLU 239 Ca 0.01 0.12 0.12 0.00 -0.16 0.00 0.00 57.16 57.25 1su5 n GLU 239 Cb 0.29 -1.50 0.48 0.00 1.43 0.00 0.00 31.44 32.15 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 0.49 -0.46 -1.84 3.57 -1.37 -1.70 116.94 115.64 1su5 h PHE 240 Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1su5 h PHE 240 Cb 0.18 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1su5 h PHE 240 CO 0.00 0.22 0.23 0.28 -2.23 0.00 0.00 178.31 176.81 1su5 h VAL 241 N 0.46 1.18 -0.17 1.41 2.07 -1.66 0.78 116.25 120.32 1su5 h VAL 241 Ca 0.31 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1su5 h VAL 241 Cb 0.60 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1su5 h VAL 241 CO -0.10 0.20 -0.14 0.44 0.02 0.00 0.00 177.57 178.00 1su5 h ASP 242 N 0.61 0.25 -0.16 0.57 3.32 -1.56 -1.49 116.42 117.97 1su5 h ASP 242 Ca 0.16 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 1su5 h ASP 242 Cb 0.11 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.60 1su5 h ASP 242 CO -0.02 0.42 -0.52 0.40 -1.72 0.00 0.00 179.24 177.80 1su5 h ILE 243 N 0.25 1.33 -0.71 0.35 2.04 -0.75 -2.47 117.51 117.56 1su5 h ILE 243 Ca 0.05 -1.78 0.15 0.00 1.00 0.00 0.00 64.86 64.28 1su5 h ILE 243 Cb 0.40 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 1su5 h ILE 243 CO 0.02 0.55 0.48 0.40 0.00 0.00 0.00 178.15 179.60 1su5 h ILE 244 N 0.29 0.78 -0.99 -0.67 2.04 -0.49 -1.81 117.51 116.66 1su5 h ILE 244 Ca -0.02 -0.11 -0.62 0.00 1.00 0.00 0.00 64.86 65.11 1su5 h ILE 244 Cb 1.14 0.43 -0.29 0.00 -0.74 0.00 0.00 36.82 37.36 1su5 h ILE 244 CO 0.11 0.06 0.80 0.59 0.00 0.00 0.00 178.15 179.71 1su5 n ASN 245 N -4.45 6.40 -0.23 1.72 3.02 -0.59 -4.67 115.26 116.45 1su5 n ASN 245 Ca 0.13 -3.72 -0.07 0.00 -0.03 0.00 0.00 54.58 50.89 1su5 n ASN 245 Cb 0.55 -0.93 0.04 0.00 -0.61 0.00 0.00 39.78 38.83 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 1.67 0.84 -0.15 5.41 0.00 -0.90 -2.90 119.26 123.24 1su5 h ALA 246 Ca 0.62 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 55.14 1su5 h ALA 246 Cb 1.49 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1su5 h ALA 246 CO 1.43 0.43 -0.79 0.87 0.00 0.00 0.00 179.25 181.19 1su5 h LYS 247 N 0.91 0.78 -0.03 0.00 1.57 -1.86 -3.38 116.57 114.57 1su5 h LYS 247 Ca 0.22 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1su5 h LYS 247 Cb 0.16 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1su5 h LYS 247 CO -0.02 1.25 0.00 0.72 -0.57 0.00 0.00 179.45 180.83