#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbb n SER 2 N 0.00 0.59 -4.70 1.62 3.41 -1.23 -4.72 113.62 108.58 1sbb n SER 2 Ca 0.00 0.10 -0.41 0.00 -0.26 0.00 0.00 58.87 58.31 1sbb n SER 2 Cb 0.00 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 1sbb n SER 2 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1sbb s GLN 3 N -2.15 4.41 0.16 4.33 0.74 -0.66 -4.95 119.66 121.54 1sbb s GLN 3 Ca -0.12 1.01 -0.34 0.00 0.05 0.00 0.00 55.36 55.96 1sbb s GLN 3 Cb 0.04 -3.49 -0.14 0.00 1.10 0.00 0.00 33.01 30.52 1sbb s GLN 3 CO 0.14 -0.08 1.53 -2.30 -0.55 0.00 0.00 175.29 174.04 1sbb n PRO 4 N 4.26 2.03 -1.70 1.67 -0.02 -1.26 -4.84 135.00 135.15 1sbb n PRO 4 Ca 0.02 0.73 -0.38 0.00 -2.02 0.00 0.00 63.50 61.85 1sbb n PRO 4 Cb 0.50 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.56 1sbb n PRO 4 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sbb n ASP 5 N 3.17 1.92 -4.65 2.55 9.92 -1.26 -4.89 116.55 123.31 1sbb n ASP 5 Ca 0.16 0.89 -0.42 0.00 -0.53 0.00 0.00 54.79 54.89 1sbb n ASP 5 Cb 0.28 -1.51 -0.03 0.00 -0.64 0.00 0.00 41.12 39.22 1sbb n ASP 5 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1sbb s PRO 6 N -2.97 4.06 0.56 -0.24 0.04 -1.26 -4.97 135.00 130.22 1sbb s PRO 6 Ca 0.76 2.19 -0.18 0.00 0.04 0.00 0.00 61.00 63.81 1sbb s PRO 6 Cb -0.41 -4.05 -0.05 0.00 0.04 0.00 0.00 34.50 30.03 1sbb s PRO 6 CO 0.46 -1.00 1.09 -1.59 0.04 0.00 0.00 177.00 176.00 1sbb s LYS 7 N 4.34 3.34 0.21 4.56 -2.85 -1.26 -4.93 119.74 123.16 1sbb s LYS 7 Ca 0.78 1.43 -0.17 0.00 -1.00 0.00 0.00 55.97 57.01 1sbb s LYS 7 Cb -0.34 -2.02 0.22 0.00 -2.06 0.00 0.00 37.83 33.63 1sbb s LYS 7 CO 0.32 -0.82 1.59 -1.35 0.10 0.00 0.00 175.35 175.19 1sbb h PRO 8 N 0.91 -0.07 -1.24 1.78 0.11 -1.99 0.01 132.00 131.50 1sbb h PRO 8 Ca -0.49 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1sbb h PRO 8 Cb 1.24 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1sbb h PRO 8 CO 0.57 -0.05 0.05 -3.47 -0.21 0.00 0.00 178.00 174.89 1sbb n ASP 9 N -5.47 3.70 0.00 -2.05 -0.08 -1.26 -2.94 116.55 108.45 1sbb n ASP 9 Ca 0.08 -2.23 0.00 0.00 -1.51 0.00 0.00 54.79 51.13 1sbb n ASP 9 Cb 0.38 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1sbb n ASP 9 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1sbb n GLU 10 N 0.62 1.12 -2.63 -0.67 2.13 -0.01 -5.05 120.64 116.15 1sbb n GLU 10 Ca 0.05 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.51 1sbb n GLU 10 Cb 0.57 -1.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.23 1sbb n GLU 10 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1sbb s LEU 11 N -3.26 4.11 0.08 4.31 1.43 -1.15 -4.99 118.68 119.20 1sbb s LEU 11 Ca 0.00 1.93 -0.31 0.00 -1.03 0.00 0.00 54.13 54.72 1sbb s LEU 11 Cb 0.00 -4.26 -0.07 0.00 0.03 0.00 0.00 46.19 41.89 1sbb s LEU 11 CO 0.00 -0.43 1.33 -1.00 0.23 0.00 0.00 176.35 176.48 1sbb s HIS 12 N -1.78 3.24 -0.25 0.29 3.76 -1.26 -5.00 115.29 114.29 1sbb s HIS 12 Ca 0.58 1.04 -0.19 0.00 -0.15 0.00 0.00 55.06 56.34 1sbb s HIS 12 Cb -0.18 -3.60 -0.02 0.00 1.11 0.00 0.00 32.58 29.88 1sbb s HIS 12 CO 0.23 -2.05 0.56 0.15 -0.85 0.00 0.00 174.74 172.79 1sbb s LYS 13 N 1.31 4.10 0.51 1.40 -0.14 -1.26 -4.50 119.74 121.16 1sbb s LYS 13 Ca 0.63 0.43 0.20 0.00 -1.36 0.00 0.00 55.97 55.86 1sbb s LYS 13 Cb -0.34 -3.64 1.28 0.00 -1.68 0.00 0.00 37.83 33.46 1sbb s LYS 13 CO 0.29 -0.35 2.06 0.66 -0.76 0.00 0.00 175.35 177.25 1sbb h SER 14 N 7.90 0.06 0.62 2.83 4.64 -1.33 -1.43 113.55 126.84 1sbb h SER 14 Ca -0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1sbb h SER 14 Cb 1.14 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1sbb h SER 14 CO 0.74 0.04 -0.04 0.77 -0.87 0.00 0.00 176.83 177.47 1sbb h SER 15 N 0.07 0.00 0.92 4.97 4.64 -1.89 -1.44 113.55 120.83 1sbb h SER 15 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1sbb h SER 15 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1sbb h SER 15 CO -0.01 0.04 -0.05 0.29 -0.87 0.00 0.00 176.83 176.22 1sbb n LYS 16 N -3.21 0.02 -3.62 4.77 5.02 -0.54 -4.69 118.16 115.92 1sbb n LYS 16 Ca -0.01 -0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.92 1sbb n LYS 16 Cb 0.24 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 1sbb n LYS 16 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1sbb s PHE 17 N -2.98 3.44 -0.40 2.13 5.36 -0.54 -2.28 117.98 122.71 1sbb s PHE 17 Ca 0.14 0.49 0.09 0.00 -0.96 0.00 0.00 56.93 56.69 1sbb s PHE 17 Cb 0.19 -2.26 0.27 0.00 -0.34 0.00 0.00 43.02 40.88 1sbb s PHE 17 CO 0.54 0.27 0.58 0.25 -1.46 0.00 0.00 175.22 175.40 1sbb n THR 18 N 3.53 -0.34 -2.66 0.12 -2.24 0.13 -4.93 114.28 107.88 1sbb n THR 18 Ca -0.14 -4.23 -0.03 0.00 -2.27 0.00 0.00 64.05 57.39 1sbb n THR 18 Cb 0.52 -1.63 0.12 0.00 -2.10 0.00 0.00 70.33 67.24 1sbb n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sbb n GLY 19 N 1.13 1.63 1.83 3.38 0.00 -1.26 -4.21 105.19 107.70 1sbb n GLY 19 Ca 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1sbb n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sbb n LEU 20 N -1.24 -3.78 0.03 0.99 4.32 -1.25 -4.56 117.00 111.51 1sbb n LEU 20 Ca -0.14 1.03 0.10 0.00 -0.02 0.00 0.00 56.01 56.98 1sbb n LEU 20 Cb 0.84 -1.94 0.42 0.00 -1.62 0.00 0.00 43.42 41.11 1sbb n LEU 20 CO -0.13 -1.54 0.82 0.80 -1.22 0.00 0.00 177.39 176.11 1sbb n MET 21 N 0.72 0.06 0.23 3.23 0.00 -0.66 -2.99 117.12 117.71 1sbb n MET 21 Ca -0.12 0.23 0.17 0.00 -0.00 0.00 0.00 57.70 57.98 1sbb n MET 21 Cb 0.19 -1.60 0.87 0.00 0.00 0.00 0.00 33.22 32.68 1sbb n MET 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1sbb h GLU 22 N 0.00 0.00 0.00 2.12 4.57 0.26 0.64 114.58 122.17 1sbb h GLU 22 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1sbb h GLU 22 Cb 0.36 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1sbb h GLU 22 CO 0.00 0.00 -0.34 -0.91 -1.18 0.00 0.00 179.01 176.58 1sbb h ASN 23 N 0.00 0.00 0.00 1.04 2.35 -1.81 -1.90 115.58 115.26 1sbb h ASN 23 Ca 0.07 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.62 1sbb h ASN 23 Cb 0.43 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1sbb h ASN 23 CO -0.00 0.34 -1.08 -0.03 -1.65 0.00 0.00 177.43 175.01 1sbb h MET 24 N 0.00 0.00 -0.64 0.81 4.05 -1.19 -3.38 114.93 114.58 1sbb h MET 24 Ca -0.00 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.54 1sbb h MET 24 Cb 0.86 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.54 1sbb h MET 24 CO 0.04 0.96 -0.28 -0.22 0.23 0.00 0.00 176.91 177.65 1sbb h LYS 25 N -1.00 -0.10 -1.01 0.39 3.64 -1.19 0.10 116.57 117.40 1sbb h LYS 25 Ca -0.29 0.01 0.28 0.00 -1.27 0.00 0.00 60.65 59.37 1sbb h LYS 25 Cb 1.23 0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 32.95 1sbb h LYS 25 CO -0.18 -0.06 0.60 0.28 -2.27 0.00 0.00 179.45 177.81 1sbb h VAL 26 N -0.10 0.45 -0.01 2.00 2.07 -1.53 0.77 116.25 119.90 1sbb h VAL 26 Ca 0.27 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 1sbb h VAL 26 Cb 0.54 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1sbb h VAL 26 CO -0.70 0.09 -0.22 -0.07 0.02 0.00 0.00 177.57 176.69 1sbb h LEU 27 N 0.48 0.01 -3.47 2.57 3.38 -1.14 -2.99 115.31 114.15 1sbb h LEU 27 Ca 0.68 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.38 1sbb h LEU 27 Cb 1.41 -0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.00 1sbb h LEU 27 CO -0.51 0.23 -0.04 -1.22 0.09 0.00 0.00 178.44 176.99 1sbb n TYR 28 N -4.27 1.48 -2.69 1.13 4.01 0.25 -4.79 117.16 112.28 1sbb n TYR 28 Ca -0.02 -1.77 -0.23 0.00 -0.16 0.00 0.00 57.90 55.72 1sbb n TYR 28 Cb 0.28 -0.57 0.10 0.00 -0.31 0.00 0.00 39.34 38.84 1sbb n TYR 28 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1sbb s ASP 29 N -2.51 4.48 0.62 7.72 1.01 -1.09 -4.27 116.67 122.62 1sbb s ASP 29 Ca 0.47 -0.49 0.26 0.00 0.71 0.00 0.00 52.55 53.50 1sbb s ASP 29 Cb 0.42 0.09 1.24 0.00 1.01 0.00 0.00 42.92 45.68 1sbb s ASP 29 CO 0.01 -1.77 1.67 0.44 0.21 0.00 0.00 175.17 175.73 1sbb h ASP 30 N -0.39 0.00 -3.38 0.27 5.19 -1.93 -3.42 116.42 112.76 1sbb h ASP 30 Ca -0.35 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.51 1sbb h ASP 30 Cb 1.27 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.74 1sbb h ASP 30 CO 0.40 0.00 0.04 0.20 -3.12 0.00 0.00 179.24 176.75 1sbb s ASN 31 N -4.43 7.11 -0.08 6.45 0.01 -1.26 -5.05 114.94 117.69 1sbb s ASN 31 Ca -0.03 1.36 -0.32 0.00 -0.71 0.00 0.00 52.86 53.16 1sbb s ASN 31 Cb 0.12 -2.40 0.13 0.00 0.41 0.00 0.00 41.25 39.52 1sbb s ASN 31 CO 0.43 0.19 1.24 -1.38 -1.51 0.00 0.00 177.10 176.07 1sbb s HIS 32 N -1.24 -0.08 0.17 2.20 -3.43 -1.26 -4.83 115.29 106.82 1sbb s HIS 32 Ca 0.34 -0.01 -0.15 0.00 -0.80 0.00 0.00 55.06 54.45 1sbb s HIS 32 Cb -0.19 0.54 -0.07 0.00 -1.43 0.00 0.00 32.58 31.42 1sbb s HIS 32 CO 0.21 -0.27 0.59 0.08 -2.00 0.00 0.00 174.74 173.35 1sbb s VAL 33 N -2.46 4.80 -0.25 -5.38 1.01 -0.10 -4.94 120.40 113.09 1sbb s VAL 33 Ca 0.12 0.89 -0.10 0.00 0.00 0.00 0.00 61.98 62.90 1sbb s VAL 33 Cb 0.02 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.76 1sbb s VAL 33 CO -0.04 0.20 0.55 -0.44 0.00 0.00 0.00 175.10 175.37 1sbb s SER 34 N -1.77 -0.75 0.00 3.32 0.01 -1.24 -1.56 113.70 111.71 1sbb s SER 34 Ca 0.40 1.30 0.01 0.00 1.31 0.00 0.00 55.95 58.97 1sbb s SER 34 Cb -0.15 1.72 -0.00 0.00 0.21 0.00 0.00 66.02 67.80 1sbb s SER 34 CO 0.20 -0.22 -0.03 0.00 0.41 0.00 0.00 173.24 173.59 1sbb s ALA 35 N 2.51 0.26 -0.07 1.44 0.00 0.21 -4.93 121.76 121.18 1sbb s ALA 35 Ca -0.05 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.73 1sbb s ALA 35 Cb -0.11 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1sbb s ALA 35 CO -0.16 0.04 -0.13 0.42 0.00 0.00 0.00 175.76 175.93 1sbb s ILE 36 N -0.23 1.19 -0.91 0.00 1.01 -1.26 0.27 121.20 121.28 1sbb s ILE 36 Ca -0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 1sbb s ILE 36 Cb -0.02 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 1sbb s ILE 36 CO -0.00 0.37 0.74 -3.20 0.00 0.00 0.00 174.94 172.84 1sbb n ASN 37 N 3.91 -6.39 -4.25 3.58 5.15 -0.74 -4.97 115.26 111.55 1sbb n ASN 37 Ca -0.22 -0.59 -0.14 0.00 -0.60 0.00 0.00 54.58 53.03 1sbb n ASN 37 Cb 0.52 -4.04 -0.10 0.00 -0.53 0.00 0.00 39.78 35.63 1sbb n ASN 37 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1sbb s VAL 38 N -3.17 1.15 0.05 3.44 -7.23 -0.46 -4.88 120.40 109.31 1sbb s VAL 38 Ca 0.19 -2.04 0.08 0.00 -1.81 0.00 0.00 61.98 58.40 1sbb s VAL 38 Cb -0.05 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 1sbb s VAL 38 CO 0.81 -0.74 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.91 1sbb s LYS 39 N -3.70 1.96 0.35 4.82 2.20 -1.26 -0.66 119.74 123.44 1sbb s LYS 39 Ca 0.16 -1.04 -0.29 0.00 -0.36 0.00 0.00 55.97 54.44 1sbb s LYS 39 Cb 0.02 -2.13 -0.11 0.00 -1.51 0.00 0.00 37.83 34.11 1sbb s LYS 39 CO 0.00 0.52 1.49 -1.54 -0.36 0.00 0.00 175.35 175.47 1sbb s SER 40 N -1.49 6.39 0.00 1.43 1.04 -1.26 -4.73 113.70 115.08 1sbb s SER 40 Ca 0.14 3.00 0.15 0.00 0.48 0.00 0.00 55.95 59.72 1sbb s SER 40 Cb -0.10 -2.66 -0.03 0.00 0.10 0.00 0.00 66.02 63.33 1sbb s SER 40 CO 0.05 -0.85 0.78 2.30 0.98 0.00 0.00 173.24 176.50 1sbb n ILE 41 N 0.87 0.00 -3.94 -1.02 -6.64 -0.06 -4.68 119.36 103.89 1sbb n ILE 41 Ca 0.02 -0.32 -0.00 0.00 -1.77 0.00 0.00 62.75 60.69 1sbb n ILE 41 Cb 0.39 1.15 0.02 0.00 -1.44 0.00 0.00 39.64 39.76 1sbb n ILE 41 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1sbb s ASP 42 N -1.88 0.01 -0.21 7.28 2.15 -1.08 -5.00 116.67 117.94 1sbb s ASP 42 Ca 0.11 -0.44 -0.19 0.00 0.43 0.00 0.00 52.55 52.46 1sbb s ASP 42 Cb 0.12 0.32 0.06 0.00 -0.30 0.00 0.00 42.92 43.12 1sbb s ASP 42 CO 0.41 -0.64 0.57 -1.58 -0.17 0.00 0.00 175.17 173.75 1sbb s GLN 43 N -2.06 0.65 -0.14 4.34 0.74 -1.26 -0.38 119.66 121.55 1sbb s GLN 43 Ca 0.26 0.81 -0.11 0.00 0.05 0.00 0.00 55.36 56.37 1sbb s GLN 43 Cb -0.02 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 1sbb s GLN 43 CO 0.02 -0.08 -0.21 0.34 -0.55 0.00 0.00 175.29 174.81 1sbb n PHE 44 N 2.88 0.61 -4.48 1.67 7.35 -1.25 -4.13 117.46 120.11 1sbb n PHE 44 Ca -0.14 0.26 -0.24 0.00 -0.76 0.00 0.00 57.45 56.57 1sbb n PHE 44 Cb 0.56 -0.65 -0.10 0.00 0.35 0.00 0.00 39.48 39.63 1sbb n PHE 44 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1sbb s LEU 45 N -7.88 2.62 0.65 -2.13 1.02 -1.26 -4.37 118.68 107.32 1sbb s LEU 45 Ca -0.18 -1.15 0.31 0.00 0.02 0.00 0.00 54.13 53.13 1sbb s LEU 45 Cb 0.02 -0.90 1.69 0.00 0.02 0.00 0.00 46.19 47.03 1sbb s LEU 45 CO 0.26 -0.19 1.98 0.10 0.02 0.00 0.00 176.35 178.53 1sbb h TYR 46 N 2.18 0.00 -0.67 0.29 -0.00 -1.98 -1.72 116.97 115.07 1sbb h TYR 46 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.32 1sbb h TYR 46 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 1sbb h TYR 46 CO 0.75 0.00 0.00 1.97 -0.00 0.00 0.00 178.16 180.88 1sbb n PHE 47 N -3.15 0.89 -4.41 0.10 -1.74 -1.26 -4.46 117.46 103.43 1sbb n PHE 47 Ca -0.00 -0.48 -0.22 0.00 -0.56 0.00 0.00 57.45 56.19 1sbb n PHE 47 Cb 0.39 -0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.30 1sbb n PHE 47 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 1sbb s ASP 48 N -1.03 2.11 -0.13 5.98 1.47 -0.65 0.37 116.67 124.79 1sbb s ASP 48 Ca 0.45 -1.58 -0.06 0.00 1.18 0.00 0.00 52.55 52.54 1sbb s ASP 48 Cb 0.24 0.37 0.06 0.00 -0.34 0.00 0.00 42.92 43.25 1sbb s ASP 48 CO 0.31 -0.87 0.29 -0.76 0.68 0.00 0.00 175.17 174.82 1sbb s LEU 49 N -3.47 -0.01 -0.19 2.11 1.43 -0.31 -4.56 118.68 113.68 1sbb s LEU 49 Ca 0.32 0.65 -0.21 0.00 -1.03 0.00 0.00 54.13 53.85 1sbb s LEU 49 Cb 0.04 0.87 -0.03 0.00 0.03 0.00 0.00 46.19 47.11 1sbb s LEU 49 CO 0.16 -0.20 0.64 -0.63 0.23 0.00 0.00 176.35 176.55 1sbb s ILE 50 N 1.81 5.02 -0.08 -0.59 -1.09 0.49 -1.24 121.20 125.52 1sbb s ILE 50 Ca -0.05 1.21 0.02 0.00 -2.23 0.00 0.00 60.65 59.61 1sbb s ILE 50 Cb -0.11 -3.95 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 1sbb s ILE 50 CO -0.10 0.12 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.28 1sbb s TYR 51 N 1.81 2.72 -0.91 3.97 1.51 0.34 -0.88 117.35 125.90 1sbb s TYR 51 Ca 0.30 -0.41 -0.23 0.00 -1.01 0.00 0.00 57.07 55.71 1sbb s TYR 51 Cb -0.16 -1.71 0.06 0.00 -0.11 0.00 0.00 41.96 40.04 1sbb s TYR 51 CO 0.11 -0.01 1.32 -1.12 -1.11 0.00 0.00 175.55 174.74 1sbb s SER 52 N -0.24 6.41 -0.22 2.29 0.01 -1.26 -0.65 113.70 120.04 1sbb s SER 52 Ca 0.01 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1sbb s SER 52 Cb -0.13 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.62 1sbb s SER 52 CO 0.03 -1.52 -0.05 -0.63 0.41 0.00 0.00 173.24 171.48 1sbb s ILE 53 N 4.76 1.38 0.20 1.44 1.01 0.56 -4.97 121.20 125.58 1sbb s ILE 53 Ca 0.40 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.79 1sbb s ILE 53 Cb -0.04 -1.64 -0.08 0.00 0.01 0.00 0.00 42.46 40.71 1sbb s ILE 53 CO -0.02 -0.06 0.71 -0.54 0.00 0.00 0.00 174.94 175.03 1sbb s LYS 54 N 1.48 4.27 -1.32 2.79 3.01 -1.22 -3.55 119.74 125.19 1sbb s LYS 54 Ca -0.04 0.87 -0.16 0.00 -1.01 0.00 0.00 55.97 55.63 1sbb s LYS 54 Cb -0.18 -2.96 0.09 0.00 -1.01 0.00 0.00 37.83 33.78 1sbb s LYS 54 CO -0.07 0.44 1.80 -3.47 0.51 0.00 0.00 175.35 174.56 1sbb n ASP 55 N 0.91 4.78 -0.37 2.83 -0.08 -0.12 -4.83 116.55 119.68 1sbb n ASP 55 Ca -0.04 -2.93 0.28 0.00 -1.51 0.00 0.00 54.79 50.60 1sbb n ASP 55 Cb 0.51 -1.68 0.55 0.00 2.34 0.00 0.00 41.12 42.83 1sbb n ASP 55 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1sbb h THR 56 N 4.94 0.31 0.00 5.18 1.35 -1.94 0.60 112.91 123.36 1sbb h THR 56 Ca 0.45 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.21 1sbb h THR 56 Cb 0.81 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1sbb h THR 56 CO 1.52 0.05 0.00 0.29 -0.25 0.00 0.00 175.52 177.13 1sbb n LYS 57 N -4.79 0.00 0.19 4.72 4.76 -1.26 -4.66 118.16 117.12 1sbb n LYS 57 Ca 0.31 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.82 1sbb n LYS 57 Cb 1.10 -0.18 0.57 0.00 -1.84 0.00 0.00 35.03 34.68 1sbb n LYS 57 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1sbb h LEU 58 N 0.00 0.12 0.35 -0.35 4.07 -2.00 -3.47 115.31 114.04 1sbb h LEU 58 Ca 0.00 -0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.75 1sbb h LEU 58 Cb 0.00 -0.03 0.03 0.00 1.08 0.00 0.00 40.66 41.74 1sbb h LEU 58 CO 0.00 0.10 -0.30 0.61 -1.08 0.00 0.00 178.44 177.78 1sbb n GLY 59 N -1.48 0.07 0.07 0.83 0.00 0.20 -4.94 105.19 99.93 1sbb n GLY 59 Ca -0.01 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.78 1sbb n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sbb n ASN 60 N -0.32 0.71 -3.91 1.61 3.02 -1.26 -4.94 115.26 110.16 1sbb n ASN 60 Ca -0.06 0.13 -0.09 0.00 -0.03 0.00 0.00 54.58 54.52 1sbb n ASN 60 Cb 0.56 0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.82 1sbb n ASN 60 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1sbb s TYR 61 N -3.17 0.26 0.00 3.10 -0.85 -1.26 -3.82 117.35 111.61 1sbb s TYR 61 Ca 0.06 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 56.00 1sbb s TYR 61 Cb 0.13 0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.58 1sbb s TYR 61 CO 0.72 -0.82 0.00 -0.25 -1.52 0.00 0.00 175.55 173.67 1sbb n ASP 62 N -0.28 2.35 -4.23 -0.18 8.00 0.38 -0.94 116.55 121.64 1sbb n ASP 62 Ca -0.07 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.17 1sbb n ASP 62 Cb 0.63 0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 41.75 1sbb n ASP 62 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1sbb s ASN 63 N -2.46 2.44 -0.11 -2.24 0.01 -1.08 -0.32 114.94 111.17 1sbb s ASN 63 Ca 0.00 -0.44 0.02 0.00 -0.71 0.00 0.00 52.86 51.73 1sbb s ASN 63 Cb 0.00 -0.24 0.01 0.00 0.41 0.00 0.00 41.25 41.43 1sbb s ASN 63 CO 0.00 0.21 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.93 1sbb s VAL 64 N -0.62 1.74 -0.17 1.60 1.01 0.17 -1.66 120.40 122.46 1sbb s VAL 64 Ca 0.08 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 1sbb s VAL 64 Cb -0.08 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1sbb s VAL 64 CO 0.00 0.49 0.35 -0.60 0.00 0.00 0.00 175.10 175.34 1sbb s ARG 65 N 0.81 4.24 -0.34 2.72 3.52 -0.64 -0.51 118.95 128.75 1sbb s ARG 65 Ca -0.09 0.16 -0.02 0.00 -0.13 0.00 0.00 55.73 55.65 1sbb s ARG 65 Cb -0.16 -3.47 0.07 0.00 -1.56 0.00 0.00 34.95 29.84 1sbb s ARG 65 CO 0.00 0.13 0.07 0.08 -0.81 0.00 0.00 175.30 174.77 1sbb s VAL 66 N 0.79 3.07 0.18 7.11 1.01 -0.37 -1.43 120.40 130.75 1sbb s VAL 66 Ca 0.18 -1.64 -0.15 0.00 0.00 0.00 0.00 61.98 60.36 1sbb s VAL 66 Cb -0.14 -2.90 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 1sbb s VAL 66 CO 0.06 -0.32 0.61 -0.70 0.00 0.00 0.00 175.10 174.75 1sbb s GLU 67 N 1.20 4.05 0.48 2.72 2.12 -0.77 -1.16 118.70 127.34 1sbb s GLU 67 Ca 0.00 0.59 0.04 0.00 0.36 0.00 0.00 54.97 55.96 1sbb s GLU 67 Cb -0.21 -2.87 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 1sbb s GLU 67 CO -0.02 0.42 0.09 -0.06 -0.54 0.00 0.00 175.26 175.15 1sbb s PHE 68 N -1.54 2.05 -0.03 5.30 0.08 0.16 -2.27 117.98 121.73 1sbb s PHE 68 Ca 0.41 -0.84 0.19 0.00 0.12 0.00 0.00 56.93 56.82 1sbb s PHE 68 Cb -0.15 -1.74 0.47 0.00 -0.57 0.00 0.00 43.02 41.03 1sbb s PHE 68 CO 0.20 0.16 1.63 -0.22 -0.10 0.00 0.00 175.22 176.89 1sbb h LYS 69 N 1.35 0.00 -2.97 0.44 3.64 -1.18 -3.47 116.57 114.38 1sbb h LYS 69 Ca -0.43 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.02 1sbb h LYS 69 Cb 1.29 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 1sbb h LYS 69 CO 0.72 0.35 0.24 0.54 -2.27 0.00 0.00 179.45 179.03 1sbb s ASN 70 N -6.34 -0.29 0.34 4.20 2.20 -1.26 -5.04 114.94 108.74 1sbb s ASN 70 Ca 0.02 -0.53 0.02 0.00 -0.94 0.00 0.00 52.86 51.44 1sbb s ASN 70 Cb 0.09 0.70 0.62 0.00 -2.00 0.00 0.00 41.25 40.66 1sbb s ASN 70 CO 0.69 -1.28 1.99 0.50 -2.94 0.00 0.00 177.10 176.06 1sbb h LYS 71 N 2.00 0.87 -0.14 3.55 3.64 -1.90 -2.79 116.57 121.80 1sbb h LYS 71 Ca -0.21 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1sbb h LYS 71 Cb 1.26 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 1sbb h LYS 71 CO 0.25 0.57 -0.14 -0.44 -2.27 0.00 0.00 179.45 177.42 1sbb h ASP 72 N 0.89 -0.44 -0.61 4.20 3.32 -1.96 -0.12 116.42 121.70 1sbb h ASP 72 Ca 0.27 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.49 1sbb h ASP 72 Cb -0.00 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 1sbb h ASP 72 CO -0.07 -0.18 0.26 -0.07 -1.72 0.00 0.00 179.24 177.45 1sbb h LEU 73 N -0.17 0.29 0.62 1.55 3.38 -1.88 0.16 115.31 119.26 1sbb h LEU 73 Ca 0.10 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1sbb h LEU 73 Cb 0.30 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1sbb h LEU 73 CO -0.24 0.18 -0.30 0.00 0.09 0.00 0.00 178.44 178.17 1sbb h ALA 74 N 1.40 -0.83 -0.80 1.53 0.00 -1.35 -2.31 119.26 116.90 1sbb h ALA 74 Ca 0.30 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1sbb h ALA 74 Cb 0.34 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1sbb h ALA 74 CO -0.28 -0.88 0.36 -0.44 0.00 0.00 0.00 179.25 178.01 1sbb h ASP 75 N -0.99 0.39 -0.66 0.00 3.32 -0.74 0.85 116.42 118.59 1sbb h ASP 75 Ca -0.08 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.12 1sbb h ASP 75 Cb 0.68 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 1sbb h ASP 75 CO 0.14 0.15 0.44 0.50 -1.72 0.00 0.00 179.24 178.75 1sbb h LYS 76 N 0.52 0.69 0.00 3.56 3.64 -0.55 -2.57 116.57 121.86 1sbb h LYS 76 Ca 0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1sbb h LYS 76 Cb 0.65 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1sbb h LYS 76 CO -0.39 0.45 -0.99 0.66 -2.27 0.00 0.00 179.45 176.91 1sbb n TYR 77 N -4.47 0.00 -1.69 1.91 4.01 0.13 -4.84 117.16 112.20 1sbb n TYR 77 Ca 0.09 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.39 1sbb n TYR 77 Cb 0.20 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.17 1sbb n TYR 77 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1sbb n LYS 78 N -1.51 2.38 -3.99 -0.72 3.00 0.27 -1.80 118.16 115.79 1sbb n LYS 78 Ca 0.03 0.86 -0.32 0.00 -0.00 0.00 0.00 58.31 58.88 1sbb n LYS 78 Cb 0.32 -2.64 0.01 0.00 0.00 0.00 0.00 35.03 32.71 1sbb n LYS 78 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1sbb n ASP 79 N 3.42 -4.26 -4.01 3.14 5.68 -1.26 -4.97 116.55 114.28 1sbb n ASP 79 Ca 0.16 -0.84 -0.25 0.00 -0.50 0.00 0.00 54.79 53.36 1sbb n ASP 79 Cb 0.31 -3.43 -0.17 0.00 -1.14 0.00 0.00 41.12 36.70 1sbb n ASP 79 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1sbb s LYS 80 N -6.70 1.65 -0.21 0.11 2.20 -0.74 -4.97 119.74 111.07 1sbb s LYS 80 Ca 0.69 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 1sbb s LYS 80 Cb -0.36 -1.41 -0.03 0.00 -1.51 0.00 0.00 37.83 34.53 1sbb s LYS 80 CO 0.84 -0.01 1.63 0.71 -0.36 0.00 0.00 175.35 178.16 1sbb s TYR 81 N 0.79 2.08 0.26 4.03 1.51 -1.26 -4.48 117.35 120.29 1sbb s TYR 81 Ca -0.12 0.53 0.02 0.00 -1.01 0.00 0.00 57.07 56.49 1sbb s TYR 81 Cb -0.15 -3.98 -0.01 0.00 -0.11 0.00 0.00 41.96 37.71 1sbb s TYR 81 CO 0.02 -2.99 0.08 1.33 -1.11 0.00 0.00 175.55 172.88 1sbb n VAL 82 N 6.40 0.00 -5.27 0.71 0.24 0.16 -2.88 118.33 117.69 1sbb n VAL 82 Ca 0.19 -1.48 -0.31 0.00 -2.04 0.00 0.00 64.34 60.70 1sbb n VAL 82 Cb 0.45 0.50 -0.16 0.00 -1.47 0.00 0.00 33.84 33.16 1sbb n VAL 82 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1sbb s ASP 83 N -2.58 3.10 -0.02 -1.34 1.01 0.30 -1.35 116.67 115.80 1sbb s ASP 83 Ca 0.11 -0.48 0.08 0.00 0.71 0.00 0.00 52.55 52.97 1sbb s ASP 83 Cb 0.01 -0.57 -0.02 0.00 1.01 0.00 0.00 42.92 43.35 1sbb s ASP 83 CO 0.08 0.29 -0.24 -0.69 0.21 0.00 0.00 175.17 174.81 1sbb s VAL 84 N -0.43 1.92 -0.28 -1.27 1.01 0.14 -1.61 120.40 119.88 1sbb s VAL 84 Ca 0.04 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 1sbb s VAL 84 Cb -0.12 -1.60 0.09 0.00 0.00 0.00 0.00 36.38 34.76 1sbb s VAL 84 CO 0.01 0.54 0.70 0.12 0.00 0.00 0.00 175.10 176.47 1sbb s PHE 85 N -0.58 -1.08 0.00 5.22 2.19 -0.78 0.67 117.98 123.61 1sbb s PHE 85 Ca 0.09 2.10 0.00 0.00 0.33 0.00 0.00 56.93 59.46 1sbb s PHE 85 Cb -0.09 0.65 0.00 0.00 -1.31 0.00 0.00 43.02 42.26 1sbb s PHE 85 CO -0.01 -0.54 0.00 0.41 1.83 0.00 0.00 175.22 176.92 1sbb n GLY 86 N 4.47 1.02 3.64 13.12 0.00 -0.60 -4.42 105.19 122.41 1sbb n GLY 86 Ca -0.19 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1sbb n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sbb s ALA 87 N -2.00 3.52 0.42 4.61 0.00 -1.26 -0.93 121.76 126.12 1sbb s ALA 87 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 51.96 51.95 1sbb s ALA 87 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 1sbb s ALA 87 CO 0.00 -1.41 0.48 0.54 0.00 0.00 0.00 175.76 175.37 1sbb s ASN 88 N 1.61 5.39 0.18 0.00 4.22 -1.26 -4.63 114.94 120.45 1sbb s ASN 88 Ca 0.44 -0.56 -0.03 0.00 -2.14 0.00 0.00 52.86 50.57 1sbb s ASN 88 Cb -0.13 -0.63 -0.03 0.00 1.28 0.00 0.00 41.25 41.74 1sbb s ASN 88 CO 0.14 -0.70 0.15 -0.72 -2.04 0.00 0.00 177.10 173.92 1sbb s TYR 89 N -2.40 0.94 0.00 1.54 1.13 -0.09 -4.89 117.35 113.58 1sbb s TYR 89 Ca 0.52 -1.23 0.00 0.00 -1.41 0.00 0.00 57.07 54.94 1sbb s TYR 89 Cb -0.07 -0.44 0.00 0.00 -1.10 0.00 0.00 41.96 40.35 1sbb s TYR 89 CO 0.31 -0.64 0.00 0.66 -2.51 0.00 0.00 175.55 173.37 1sbb n TYR 90 N -0.22 0.00 0.00 -3.49 4.02 -1.26 -1.99 117.16 114.22 1sbb n TYR 90 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1sbb n TYR 90 Cb 0.65 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 40.04 1sbb n TYR 90 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1sbb n TYR 91 N -2.66 0.00 -0.86 -0.72 9.36 -1.26 -0.87 117.16 120.15 1sbb n TYR 91 Ca 0.00 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.02 1sbb n TYR 91 Cb 0.38 -0.07 0.14 0.00 -0.63 0.00 0.00 39.34 39.17 1sbb n TYR 91 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1sbb n GLN 92 N -1.29 2.06 -2.47 2.98 6.02 -1.26 -4.82 117.38 118.60 1sbb n GLN 92 Ca 0.00 -2.50 -0.42 0.00 -0.01 0.00 0.00 57.00 54.06 1sbb n GLN 92 Cb 0.00 -1.98 -0.00 0.00 1.02 0.00 0.00 30.24 29.28 1sbb n GLN 92 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sbb s TYR 94 N 4.31 3.45 -0.02 0.00 2.02 -1.26 -4.94 117.35 120.91 1sbb s TYR 94 Ca 0.54 0.57 -0.29 0.00 -0.37 0.00 0.00 57.07 57.52 1sbb s TYR 94 Cb 0.05 -2.33 0.09 0.00 -0.40 0.00 0.00 41.96 39.37 1sbb s TYR 94 CO 0.06 0.23 0.79 -0.59 -1.57 0.00 0.00 175.55 174.47 1sbb s PHE 95 N 0.51 -0.49 0.00 2.71 -0.12 -1.26 -5.12 117.98 114.21 1sbb s PHE 95 Ca 0.16 0.61 0.00 0.00 -0.05 0.00 0.00 56.93 57.65 1sbb s PHE 95 Cb -0.13 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 1sbb s PHE 95 CO 0.03 -0.58 0.00 0.43 -0.05 0.00 0.00 175.22 175.05 1sbb n SER 96 N 0.30 0.00 0.00 1.98 7.64 -1.26 -4.86 113.62 117.42 1sbb n SER 96 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1sbb n SER 96 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1sbb n SER 96 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1sbb n LYS 97 N 14.00 0.00 0.00 1.43 2.85 -1.26 -4.99 118.16 130.19 1sbb n LYS 97 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1sbb n LYS 97 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1sbb n LYS 97 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1sbb n LYS 98 N 0.00 0.00 -1.69 -1.58 -0.00 -1.26 -4.94 118.16 108.69 1sbb n LYS 98 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1sbb n LYS 98 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 1sbb n LYS 98 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1sbb n THR 99 N -0.23 0.26 -1.55 0.58 -2.24 -1.26 -4.53 114.28 105.31 1sbb n THR 99 Ca 0.00 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.60 1sbb n THR 99 Cb 0.00 -2.04 -0.11 0.00 -2.10 0.00 0.00 70.33 66.08 1sbb n THR 99 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1sbb n SER 104 N 5.13 1.22 -4.51 3.42 2.88 -1.26 -4.97 113.62 115.53 1sbb n SER 104 Ca 0.18 -2.33 -0.24 0.00 -1.33 0.00 0.00 58.87 55.14 1sbb n SER 104 Cb 0.36 -1.68 -0.11 0.00 -0.75 0.00 0.00 64.21 62.03 1sbb n SER 104 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1sbb s HIS 105 N 16.47 2.15 -0.93 0.66 5.04 -1.26 -3.74 115.29 133.68 1sbb s HIS 105 Ca 0.80 -0.87 0.00 0.00 -1.54 0.00 0.00 55.06 53.45 1sbb s HIS 105 Cb -0.06 -1.46 0.00 0.00 0.04 0.00 0.00 32.58 31.10 1sbb s HIS 105 CO 0.17 0.16 0.00 0.94 -2.34 0.00 0.00 174.74 173.67 1sbb n GLN 106 N -0.80 -1.63 -0.57 2.88 0.00 -1.26 -4.88 117.38 111.12 1sbb n GLN 106 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.96 1sbb n GLN 106 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.91 1sbb n GLN 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1sbb n THR 107 N 1.27 -1.14 -4.04 1.69 -1.04 -1.26 -4.02 114.28 105.74 1sbb n THR 107 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1sbb n THR 107 Cb 0.00 -1.50 -0.15 0.00 -1.82 0.00 0.00 70.33 66.86 1sbb n THR 107 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1sbb s ASP 108 N 0.00 4.19 0.30 8.00 1.01 -1.26 -4.66 116.67 124.26 1sbb s ASP 108 Ca 0.00 -1.12 0.00 0.00 0.71 0.00 0.00 52.55 52.14 1sbb s ASP 108 Cb 0.00 -1.57 0.00 0.00 1.01 0.00 0.00 42.92 42.36 1sbb s ASP 108 CO 0.00 -0.14 0.00 1.17 0.21 0.00 0.00 175.17 176.41 1sbb n LYS 109 N 4.54 -2.28 -1.58 8.23 3.00 -1.26 -4.99 118.16 123.82 1sbb n LYS 109 Ca -0.16 1.74 0.00 0.00 -0.00 0.00 0.00 58.31 59.89 1sbb n LYS 109 Cb 0.45 -2.11 0.00 0.00 0.00 0.00 0.00 35.03 33.37 1sbb n LYS 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1sbb n ARG 110 N -1.73 0.00 -3.62 1.64 1.74 -1.26 -4.46 116.66 108.98 1sbb n ARG 110 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1sbb n ARG 110 Cb 0.18 -0.47 -0.06 0.00 -1.02 0.00 0.00 32.46 31.09 1sbb n ARG 110 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1sbb s LYS 111 N 0.00 0.95 0.21 5.56 -2.85 -1.25 -0.47 119.74 121.89 1sbb s LYS 111 Ca 0.00 -0.17 -0.01 0.00 -1.00 0.00 0.00 55.97 54.79 1sbb s LYS 111 Cb 0.00 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.17 1sbb s LYS 111 CO 0.00 -0.32 0.16 -0.08 0.10 0.00 0.00 175.35 175.21 1sbb s THR 112 N -2.04 0.00 0.09 3.79 -1.32 -0.67 -4.85 115.64 110.64 1sbb s THR 112 Ca -0.08 -1.97 0.04 0.00 -1.21 0.00 0.00 61.69 58.48 1sbb s THR 112 Cb -0.01 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.46 1sbb s THR 112 CO 0.01 0.00 -0.11 0.00 -2.21 0.00 0.00 174.62 172.31 1sbb n MET 114 N 0.82 0.86 -4.32 0.00 0.00 -0.52 -0.91 117.12 113.04 1sbb n MET 114 Ca -0.18 -2.11 -0.19 0.00 0.00 0.00 0.00 57.70 55.22 1sbb n MET 114 Cb 0.57 2.40 -0.14 0.00 0.00 0.00 0.00 33.22 36.04 1sbb n MET 114 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1sbb s TYR 115 N -3.12 0.99 0.00 3.17 1.51 -1.26 -1.84 117.35 116.79 1sbb s TYR 115 Ca 0.18 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1sbb s TYR 115 Cb -0.03 -0.60 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 1sbb s TYR 115 CO 0.13 -0.00 0.00 0.41 -1.11 0.00 0.00 175.55 174.98 1sbb n GLY 116 N 2.22 2.48 2.38 0.71 0.00 -0.96 -4.64 105.19 107.37 1sbb n GLY 116 Ca -0.17 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 1sbb n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sbb n GLY 117 N 0.00 1.22 3.58 -0.02 0.00 -1.26 -4.86 105.19 103.86 1sbb n GLY 117 Ca 0.00 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1sbb n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sbb s VAL 118 N -2.52 4.18 -0.07 1.61 1.01 -1.26 -1.87 120.40 121.48 1sbb s VAL 118 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1sbb s VAL 118 Cb 0.00 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.58 1sbb s VAL 118 CO 0.00 0.52 0.22 0.42 0.00 0.00 0.00 175.10 176.26 1sbb s THR 119 N -0.04 0.01 0.55 3.92 -4.23 -0.63 -4.96 115.64 110.26 1sbb s THR 119 Ca 0.03 -0.09 -0.22 0.00 -1.18 0.00 0.00 61.69 60.23 1sbb s THR 119 Cb -0.13 -0.34 -0.05 0.00 1.34 0.00 0.00 72.50 73.32 1sbb s THR 119 CO 0.02 -0.05 1.36 -1.61 -0.54 0.00 0.00 174.62 173.80 1sbb s GLU 120 N -0.10 3.10 -0.10 3.99 2.02 -1.26 0.11 118.70 126.45 1sbb s GLU 120 Ca -0.02 2.25 -0.01 0.00 0.02 0.00 0.00 54.97 57.21 1sbb s GLU 120 Cb -0.02 -2.24 -0.00 0.00 0.10 0.00 0.00 34.13 31.97 1sbb s GLU 120 CO 0.01 -1.23 -0.02 1.25 0.02 0.00 0.00 175.26 175.29 1sbb h HIS 121 N 1.41 0.00 -3.82 1.61 -0.00 -1.80 -3.42 115.15 109.13 1sbb h HIS 121 Ca -0.51 0.00 -0.52 0.00 -0.00 0.00 0.00 60.37 59.34 1sbb h HIS 121 Cb 1.30 0.00 0.06 0.00 -0.00 0.00 0.00 27.41 28.77 1sbb h HIS 121 CO 0.45 0.00 0.64 -0.80 -0.00 0.00 0.00 177.93 178.22 1sbb s ASN 122 N -5.40 6.80 -0.06 3.26 0.01 -1.26 -2.87 114.94 115.41 1sbb s ASN 122 Ca -0.01 2.65 0.00 0.00 -0.71 0.00 0.00 52.86 54.79 1sbb s ASN 122 Cb 0.00 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.02 1sbb s ASN 122 CO 0.02 -0.52 0.00 0.61 -1.51 0.00 0.00 177.10 175.70 1sbb n GLY 123 N 0.98 0.35 0.00 0.66 0.00 -1.26 -4.79 105.19 101.13 1sbb n GLY 123 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1sbb n GLY 123 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sbb n ASN 124 N -0.33 0.25 -4.85 1.61 2.85 -1.14 -4.93 115.26 108.72 1sbb n ASN 124 Ca -0.01 -0.58 -0.32 0.00 -0.11 0.00 0.00 54.58 53.57 1sbb n ASN 124 Cb 0.21 0.51 -0.01 0.00 1.24 0.00 0.00 39.78 41.73 1sbb n ASN 124 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1sbb s GLN 125 N -0.51 3.72 0.02 1.20 -1.52 -1.23 -1.22 119.66 120.13 1sbb s GLN 125 Ca 0.00 0.88 0.03 0.00 -1.95 0.00 0.00 55.36 54.32 1sbb s GLN 125 Cb 0.00 -2.10 -0.01 0.00 -0.22 0.00 0.00 33.01 30.68 1sbb s GLN 125 CO 0.00 -0.46 -0.10 -0.51 -0.25 0.00 0.00 175.29 173.97 1sbb s LEU 126 N -4.64 2.11 0.02 2.90 1.43 -0.54 -4.83 118.68 115.14 1sbb s LEU 126 Ca 0.57 -0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 1sbb s LEU 126 Cb -0.11 -0.41 -0.16 0.00 0.03 0.00 0.00 46.19 45.54 1sbb s LEU 126 CO 0.43 0.01 1.19 0.44 0.23 0.00 0.00 176.35 178.64 1sbb h ASP 127 N 5.32 -0.73 -2.95 2.29 5.19 -1.98 -3.44 116.42 120.11 1sbb h ASP 127 Ca -0.34 -0.01 -0.62 0.00 -0.62 0.00 0.00 57.03 55.45 1sbb h ASP 127 Cb 1.19 0.19 -0.05 0.00 0.18 0.00 0.00 39.33 40.83 1sbb h ASP 127 CO 0.46 -0.37 -0.27 -0.75 -3.12 0.00 0.00 179.24 175.19 1sbb s LYS 128 N -4.82 3.78 -0.09 3.56 2.20 -1.26 -5.04 119.74 118.06 1sbb s LYS 128 Ca -0.15 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.41 1sbb s LYS 128 Cb 0.02 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 33.12 1sbb s LYS 128 CO 0.47 0.68 1.61 -0.47 -0.36 0.00 0.00 175.35 177.28 1sbb s TYR 129 N -1.14 2.09 0.95 4.03 5.04 -1.26 -4.84 117.35 122.22 1sbb s TYR 129 Ca 0.24 0.34 -0.11 0.00 -2.44 0.00 0.00 57.07 55.11 1sbb s TYR 129 Cb -0.15 -3.87 0.16 0.00 0.35 0.00 0.00 41.96 38.45 1sbb s TYR 129 CO 0.13 -3.46 1.11 0.50 -1.34 0.00 0.00 175.55 172.48 1sbb s ARG 130 N 4.09 0.79 -0.31 4.97 6.06 0.40 -4.76 118.95 130.19 1sbb s ARG 130 Ca 0.71 1.28 -0.01 0.00 -2.50 0.00 0.00 55.73 55.21 1sbb s ARG 130 Cb -0.31 -1.72 0.13 0.00 0.06 0.00 0.00 34.95 33.11 1sbb s ARG 130 CO 0.28 -2.70 0.24 0.45 -2.50 0.00 0.00 175.30 171.07 1sbb s SER 131 N -2.80 2.37 0.52 -2.12 0.15 -1.26 -1.93 113.70 108.62 1sbb s SER 131 Ca 0.66 -1.23 -0.09 0.00 0.70 0.00 0.00 55.95 55.99 1sbb s SER 131 Cb -0.22 0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.17 1sbb s SER 131 CO 0.59 -0.38 0.89 -0.63 1.20 0.00 0.00 173.24 174.91 1sbb s ILE 132 N 1.98 4.78 -0.07 6.45 1.09 0.56 -4.83 121.20 131.16 1sbb s ILE 132 Ca 0.11 0.61 0.03 0.00 -1.10 0.00 0.00 60.65 60.31 1sbb s ILE 132 Cb -0.16 -3.83 -0.02 0.00 -1.06 0.00 0.00 42.46 37.39 1sbb s ILE 132 CO -0.26 -0.89 -0.16 -0.89 -0.10 0.00 0.00 174.94 172.65 1sbb s THR 133 N -2.82 2.91 -0.20 2.92 2.01 -1.26 0.10 115.64 119.30 1sbb s THR 133 Ca 0.52 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 1sbb s THR 133 Cb -0.10 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1sbb s THR 133 CO 0.44 0.57 0.00 -0.69 -0.69 0.00 0.00 174.62 174.26 1sbb s VAL 134 N -0.40 4.00 -0.45 3.82 1.01 0.10 -3.23 120.40 125.26 1sbb s VAL 134 Ca 0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1sbb s VAL 134 Cb -0.12 -2.81 0.12 0.00 0.00 0.00 0.00 36.38 33.57 1sbb s VAL 134 CO 0.02 0.43 0.30 -0.13 0.00 0.00 0.00 175.10 175.72 1sbb s ARG 135 N 0.90 2.30 -0.24 2.72 0.52 -0.59 -2.01 118.95 122.56 1sbb s ARG 135 Ca 0.01 -1.81 -0.13 0.00 -0.52 0.00 0.00 55.73 53.28 1sbb s ARG 135 Cb -0.14 -3.79 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 1sbb s ARG 135 CO 0.02 -1.15 0.27 0.54 0.02 0.00 0.00 175.30 175.00 1sbb s VAL 136 N 1.23 5.27 -0.15 3.52 0.11 -0.58 -0.89 120.40 128.91 1sbb s VAL 136 Ca 0.07 0.40 -0.05 0.00 -2.93 0.00 0.00 61.98 59.48 1sbb s VAL 136 Cb -0.25 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 30.96 1sbb s VAL 136 CO -0.02 0.27 0.00 -0.36 -3.33 0.00 0.00 175.10 171.65 1sbb s PHE 137 N 1.45 3.12 -0.51 1.54 0.40 0.15 -3.41 117.98 120.72 1sbb s PHE 137 Ca 0.12 -0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.33 1sbb s PHE 137 Cb -0.15 -1.97 0.13 0.00 0.51 0.00 0.00 43.02 41.54 1sbb s PHE 137 CO 0.08 0.10 0.29 -1.21 0.70 0.00 0.00 175.22 175.18 1sbb s GLU 138 N 0.18 2.18 -0.44 0.44 2.02 -0.55 -0.35 118.70 122.17 1sbb s GLU 138 Ca 0.01 -2.23 -0.02 0.00 0.02 0.00 0.00 54.97 52.75 1sbb s GLU 138 Cb -0.13 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.53 1sbb s GLU 138 CO 0.02 -1.11 0.29 -0.25 0.02 0.00 0.00 175.26 174.23 1sbb n ASP 139 N 3.90 -3.18 0.00 -0.19 8.00 0.55 -3.03 116.55 122.60 1sbb n ASP 139 Ca 0.03 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1sbb n ASP 139 Cb 0.39 -1.88 0.00 0.00 -0.02 0.00 0.00 41.12 39.61 1sbb n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sbb n GLY 140 N -0.97 1.95 3.55 0.44 0.00 -1.26 -4.96 105.19 103.95 1sbb n GLY 140 Ca -0.01 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1sbb n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sbb s LYS 141 N 0.00 2.43 -1.22 1.61 1.02 -1.17 -4.82 119.74 117.59 1sbb s LYS 141 Ca 0.00 1.10 -0.21 0.00 0.02 0.00 0.00 55.97 56.87 1sbb s LYS 141 Cb 0.00 -4.47 -0.04 0.00 -0.52 0.00 0.00 37.83 32.80 1sbb s LYS 141 CO 0.00 -2.92 1.87 1.21 -0.92 0.00 0.00 175.35 174.59 1sbb s ASN 142 N 9.97 5.60 -0.01 2.83 3.84 -1.26 -1.48 114.94 134.42 1sbb s ASN 142 Ca 0.84 -1.90 0.10 0.00 0.21 0.00 0.00 52.86 52.12 1sbb s ASN 142 Cb -0.16 -2.59 -0.23 0.00 -0.55 0.00 0.00 41.25 37.73 1sbb s ASN 142 CO 0.24 -2.48 0.80 -0.07 -2.79 0.00 0.00 177.10 172.81 1sbb h LEU 143 N 16.12 0.02 -8.92 3.21 3.38 -1.90 -3.48 115.31 123.76 1sbb h LEU 143 Ca 0.29 -0.04 -0.69 0.00 0.09 0.00 0.00 57.88 57.53 1sbb h LEU 143 Cb 0.92 -0.01 -0.23 0.00 0.09 0.00 0.00 40.66 41.43 1sbb h LEU 143 CO 1.30 1.03 -0.82 -0.22 0.09 0.00 0.00 178.44 179.82 1sbb s LEU 144 N -6.28 2.54 -0.20 1.67 2.96 -1.22 -5.09 118.68 113.07 1sbb s LEU 144 Ca -0.04 -0.44 -0.22 0.00 -0.22 0.00 0.00 54.13 53.22 1sbb s LEU 144 Cb 0.08 -1.48 0.06 0.00 0.50 0.00 0.00 46.19 45.35 1sbb s LEU 144 CO 0.82 0.26 0.60 -0.44 -1.32 0.00 0.00 176.35 176.28 1sbb s SER 145 N -1.34 -0.62 0.23 3.68 0.01 -1.26 -1.52 113.70 112.87 1sbb s SER 145 Ca 0.14 1.12 -0.18 0.00 1.31 0.00 0.00 55.95 58.34 1sbb s SER 145 Cb -0.10 1.12 0.02 0.00 0.21 0.00 0.00 66.02 67.27 1sbb s SER 145 CO 0.04 -0.27 0.58 0.72 0.41 0.00 0.00 173.24 174.72 1sbb s PHE 146 N 0.07 -0.07 0.04 2.43 -0.12 -0.85 -4.99 117.98 114.50 1sbb s PHE 146 Ca -0.02 -0.30 0.01 0.00 -0.05 0.00 0.00 56.93 56.57 1sbb s PHE 146 Cb -0.04 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 1sbb s PHE 146 CO 0.02 -1.02 0.12 -0.51 -0.05 0.00 0.00 175.22 173.78 1sbb s ASP 147 N -2.91 5.86 -0.21 1.98 1.01 -1.26 0.01 116.67 121.15 1sbb s ASP 147 Ca 0.12 0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.53 1sbb s ASP 147 Cb -0.02 -1.69 0.04 0.00 1.01 0.00 0.00 42.92 42.25 1sbb s ASP 147 CO 0.02 0.21 -0.13 -0.69 0.21 0.00 0.00 175.17 174.79 1sbb s VAL 148 N -1.36 1.86 0.80 -1.27 1.01 0.12 -4.94 120.40 116.61 1sbb s VAL 148 Ca 0.29 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1sbb s VAL 148 Cb -0.12 -1.88 0.10 0.00 0.00 0.00 0.00 36.38 34.48 1sbb s VAL 148 CO 0.21 0.21 1.15 -1.10 0.00 0.00 0.00 175.10 175.57 1sbb s GLN 149 N 1.30 1.77 0.00 2.72 -0.21 -1.26 -0.32 119.66 123.66 1sbb s GLN 149 Ca -0.02 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.21 1sbb s GLN 149 Cb -0.16 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 31.83 1sbb s GLN 149 CO -0.09 -1.64 0.00 -2.37 -2.12 0.00 0.00 175.29 169.07 1sbb n THR 150 N -3.26 0.00 -2.19 -0.19 5.66 -0.81 -4.89 114.28 108.60 1sbb n THR 150 Ca 0.10 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.09 1sbb n THR 150 Cb 0.61 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.37 1sbb n THR 150 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1sbb n ASN 151 N 0.00 0.01 -4.55 1.09 6.94 -1.26 0.15 115.26 117.64 1sbb n ASN 151 Ca 0.00 -1.87 -0.31 0.00 -0.02 0.00 0.00 54.58 52.38 1sbb n ASN 151 Cb 0.00 -0.03 -0.11 0.00 -2.36 0.00 0.00 39.78 37.28 1sbb n ASN 151 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1sbb s LYS 152 N 0.00 2.23 -0.09 -3.83 1.02 -1.26 -1.46 119.74 116.35 1sbb s LYS 152 Ca 0.13 -0.93 -0.24 0.00 0.02 0.00 0.00 55.97 54.95 1sbb s LYS 152 Cb 0.15 -2.33 -0.21 0.00 -0.52 0.00 0.00 37.83 34.92 1sbb s LYS 152 CO -0.06 0.54 0.84 0.87 -0.92 0.00 0.00 175.35 176.62 1sbb h LYS 153 N 4.11 -0.04 -3.44 1.68 1.57 -1.48 -3.39 116.57 115.58 1sbb h LYS 153 Ca -0.48 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 57.57 1sbb h LYS 153 Cb 1.16 0.01 -0.33 0.00 0.08 0.00 0.00 32.23 33.15 1sbb h LYS 153 CO 0.51 0.65 0.01 0.21 -0.57 0.00 0.00 179.45 180.26 1sbb s LYS 154 N -2.85 3.42 0.02 3.15 2.47 -1.26 -0.96 119.74 123.73 1sbb s LYS 154 Ca -0.15 -3.12 -0.23 0.00 -1.56 0.00 0.00 55.97 50.91 1sbb s LYS 154 Cb -0.01 -4.10 -0.05 0.00 -1.46 0.00 0.00 37.83 32.21 1sbb s LYS 154 CO 0.59 -1.25 0.68 0.54 0.16 0.00 0.00 175.35 176.07 1sbb s VAL 155 N -1.08 4.82 0.58 4.02 0.11 0.51 -4.63 120.40 124.74 1sbb s VAL 155 Ca 0.26 1.44 -0.19 0.00 -2.93 0.00 0.00 61.98 60.56 1sbb s VAL 155 Cb -0.10 -4.02 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 1sbb s VAL 155 CO -0.10 0.39 1.19 0.42 -3.33 0.00 0.00 175.10 173.67 1sbb s THR 156 N -0.12 2.74 0.36 5.04 -4.23 -1.26 0.80 115.64 118.96 1sbb s THR 156 Ca 0.35 0.46 0.05 0.00 -1.18 0.00 0.00 61.69 61.37 1sbb s THR 156 Cb -0.19 -3.19 0.20 0.00 1.34 0.00 0.00 72.50 70.65 1sbb s THR 156 CO 0.20 -0.10 1.94 0.00 -0.54 0.00 0.00 174.62 176.12 1sbb h ALA 157 N 0.99 1.49 -0.25 3.99 0.00 -1.39 -2.87 119.26 121.21 1sbb h ALA 157 Ca -0.50 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.31 1sbb h ALA 157 Cb 1.29 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1sbb h ALA 157 CO 0.56 0.38 -0.02 0.37 0.00 0.00 0.00 179.25 180.54 1sbb h GLN 158 N 0.53 0.05 -0.64 0.00 4.15 -1.92 0.27 115.11 117.55 1sbb h GLN 158 Ca 0.13 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.55 1sbb h GLN 158 Cb 0.19 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 1sbb h GLN 158 CO -0.01 0.03 0.43 1.49 -1.93 0.00 0.00 178.83 178.84 1sbb h GLU 159 N 0.05 0.83 -0.02 1.69 4.81 -1.77 -0.10 114.58 120.07 1sbb h GLU 159 Ca 0.12 -0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 59.05 1sbb h GLU 159 Cb 0.17 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.38 1sbb h GLU 159 CO -0.22 0.55 -0.99 -0.07 -0.73 0.00 0.00 179.01 177.55 1sbb h LEU 160 N 0.85 0.90 -0.28 1.64 3.38 -1.33 -2.22 115.31 118.25 1sbb h LEU 160 Ca 0.24 -0.73 0.01 0.00 0.09 0.00 0.00 57.88 57.49 1sbb h LEU 160 Cb -0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1sbb h LEU 160 CO -0.05 1.50 0.16 -0.78 0.09 0.00 0.00 178.44 179.36 1sbb h ASP 161 N 0.38 0.25 -0.03 -0.43 3.58 -0.04 0.31 116.42 120.45 1sbb h ASP 161 Ca -0.12 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 1sbb h ASP 161 Cb 1.64 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.64 1sbb h ASP 161 CO 0.19 0.19 0.02 0.22 -2.88 0.00 0.00 179.24 176.98 1sbb h TYR 162 N 0.33 0.04 -0.98 0.28 3.20 -1.07 -0.22 116.97 118.55 1sbb h TYR 162 Ca 0.11 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.03 1sbb h TYR 162 Cb 0.01 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.20 1sbb h TYR 162 CO -0.08 0.08 0.64 -0.07 -1.64 0.00 0.00 178.16 177.09 1sbb h LEU 163 N -0.01 1.04 0.18 2.82 4.07 -0.96 -0.03 115.31 122.42 1sbb h LEU 163 Ca 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1sbb h LEU 163 Cb 0.05 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.57 1sbb h LEU 163 CO -0.00 0.68 -0.09 0.74 -1.08 0.00 0.00 178.44 178.69 1sbb h THR 164 N 1.19 0.79 -0.72 0.22 2.02 -0.18 -3.19 112.91 113.05 1sbb h THR 164 Ca 0.41 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 66.55 1sbb h THR 164 Cb 0.10 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 1sbb h THR 164 CO -0.15 0.20 0.47 0.03 0.37 0.00 0.00 175.52 176.44 1sbb h ARG 165 N -0.87 0.86 -0.55 6.66 3.08 -1.01 -2.25 114.38 120.31 1sbb h ARG 165 Ca -0.02 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.06 1sbb h ARG 165 Cb 0.52 -0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.30 1sbb h ARG 165 CO 0.04 0.57 0.15 1.25 -1.07 0.00 0.00 179.97 180.91 1sbb h HIS 166 N 0.89 0.26 -0.15 3.04 2.76 -1.05 0.93 115.15 121.82 1sbb h HIS 166 Ca 0.28 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1sbb h HIS 166 Cb 0.03 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1sbb h HIS 166 CO -0.00 0.04 0.10 -0.92 -1.30 0.00 0.00 177.93 175.84 1sbb h TYR 167 N 0.31 0.19 -0.91 5.26 5.03 -1.39 -2.74 116.97 122.71 1sbb h TYR 167 Ca 0.28 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.62 1sbb h TYR 167 Cb 0.36 -0.06 -0.05 0.00 1.55 0.00 0.00 36.73 38.52 1sbb h TYR 167 CO -0.20 0.12 0.60 -0.07 -1.32 0.00 0.00 178.16 177.29 1sbb h LEU 168 N 0.20 1.00 -0.36 2.82 3.38 -0.98 -0.55 115.31 120.82 1sbb h LEU 168 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1sbb h LEU 168 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1sbb h LEU 168 CO -0.01 0.70 0.11 0.58 0.09 0.00 0.00 178.44 179.92 1sbb h VAL 169 N 1.17 1.21 0.02 1.22 2.07 -0.65 0.58 116.25 121.87 1sbb h VAL 169 Ca 0.35 -0.67 -0.22 0.00 0.82 0.00 0.00 66.70 66.97 1sbb h VAL 169 Cb -0.04 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1sbb h VAL 169 CO -0.10 0.23 -0.96 0.11 0.02 0.00 0.00 177.57 176.88 1sbb h LYS 170 N 0.43 0.33 0.00 1.57 1.57 -1.21 -2.77 116.57 116.49 1sbb h LYS 170 Ca 0.12 -0.38 -0.35 0.00 -1.87 0.00 0.00 60.65 58.17 1sbb h LYS 170 Cb 0.25 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 1sbb h LYS 170 CO -0.00 1.08 -2.32 0.09 -0.57 0.00 0.00 179.45 177.72 1sbb n ASN 171 N -3.69 0.32 -0.37 0.86 3.02 -0.24 -4.62 115.26 110.53 1sbb n ASN 171 Ca -0.06 -0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1sbb n ASN 171 Cb 0.85 0.93 0.08 0.00 -0.61 0.00 0.00 39.78 41.03 1sbb n ASN 171 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sbb n LYS 172 N -2.73 2.36 -3.99 3.52 4.76 0.19 -4.99 118.16 117.29 1sbb n LYS 172 Ca -0.32 -1.66 -0.32 0.00 -2.87 0.00 0.00 58.31 53.14 1sbb n LYS 172 Cb 1.12 -1.16 0.01 0.00 -1.84 0.00 0.00 35.03 33.17 1sbb n LYS 172 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1sbb n LYS 173 N 0.17 -4.93 -0.20 1.97 4.76 -0.55 -4.85 118.16 114.53 1sbb n LYS 173 Ca 0.07 0.54 -0.03 0.00 -2.87 0.00 0.00 58.31 56.02 1sbb n LYS 173 Cb 0.32 -5.38 0.04 0.00 -1.84 0.00 0.00 35.03 28.17 1sbb n LYS 173 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1sbb h LEU 174 N -1.94 -0.83 -8.43 -0.35 5.85 -1.59 -3.38 115.31 104.63 1sbb h LEU 174 Ca -0.58 0.20 -0.64 0.00 0.84 0.00 0.00 57.88 57.70 1sbb h LEU 174 Cb 1.38 0.47 -0.31 0.00 0.37 0.00 0.00 40.66 42.57 1sbb h LEU 174 CO 0.70 -0.26 -0.87 -0.31 -0.34 0.00 0.00 178.44 177.36 1sbb s TYR 175 N -6.13 2.11 0.45 1.25 2.02 -1.26 -4.42 117.35 111.36 1sbb s TYR 175 Ca -0.14 -0.53 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 1sbb s TYR 175 Cb 0.18 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1sbb s TYR 175 CO 0.72 -0.13 0.04 -1.21 -1.57 0.00 0.00 175.55 173.40 1sbb s GLU 176 N -0.28 2.03 0.15 -0.62 2.02 0.65 -4.92 118.70 117.74 1sbb s GLU 176 Ca 0.02 -2.24 -0.23 0.00 0.02 0.00 0.00 54.97 52.53 1sbb s GLU 176 Cb -0.11 -1.22 0.03 0.00 0.10 0.00 0.00 34.13 32.93 1sbb s GLU 176 CO 0.01 -0.33 1.61 0.35 0.02 0.00 0.00 175.26 176.93 1sbb h PHE 177 N 1.62 -0.78 0.01 1.61 3.57 -1.96 -3.04 116.94 117.96 1sbb h PHE 177 Ca -0.41 0.04 -0.38 0.00 3.53 0.00 0.00 57.97 60.76 1sbb h PHE 177 Cb 1.28 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 40.34 1sbb h PHE 177 CO 1.30 -0.36 -2.37 0.27 -2.23 0.00 0.00 178.31 174.92 1sbb n ASN 178 N -5.40 1.23 0.00 0.41 0.23 -1.26 0.58 115.26 111.04 1sbb n ASN 178 Ca -0.01 -0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.01 1sbb n ASN 178 Cb 0.32 0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1sbb n ASN 178 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1sbb n ASN 179 N -3.08 0.18 -3.89 0.53 5.15 -1.25 -2.03 115.26 110.87 1sbb n ASN 179 Ca -0.39 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.50 1sbb n ASN 179 Cb 1.06 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 40.22 1sbb n ASN 179 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1sbb s SER 180 N 1.60 0.11 0.00 1.20 0.15 -1.26 -0.25 113.70 115.25 1sbb s SER 180 Ca 0.00 -0.48 0.24 0.00 0.70 0.00 0.00 55.95 56.41 1sbb s SER 180 Cb 0.00 0.26 1.05 0.00 -1.71 0.00 0.00 66.02 65.63 1sbb s SER 180 CO 0.00 -0.55 1.77 -2.65 1.20 0.00 0.00 173.24 173.01 1sbb n PRO 181 N 0.65 0.05 -4.37 5.44 -0.02 -1.26 -4.79 135.00 130.70 1sbb n PRO 181 Ca -0.18 0.08 -0.33 0.00 -2.02 0.00 0.00 63.50 61.05 1sbb n PRO 181 Cb 0.59 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.48 1sbb n PRO 181 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1sbb s TYR 182 N -2.94 3.05 -0.14 6.00 2.02 -1.26 -2.08 117.35 122.01 1sbb s TYR 182 Ca 0.13 0.08 -0.23 0.00 -0.37 0.00 0.00 57.07 56.69 1sbb s TYR 182 Cb 0.16 -1.69 -0.20 0.00 -0.40 0.00 0.00 41.96 39.82 1sbb s TYR 182 CO 0.43 0.44 0.56 1.49 -1.57 0.00 0.00 175.55 176.90 1sbb h GLU 183 N 4.65 0.00 -4.96 -0.62 4.57 -0.67 -3.42 114.58 114.13 1sbb h GLU 183 Ca -0.49 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.39 1sbb h GLU 183 Cb 1.18 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.62 1sbb h GLU 183 CO 0.56 0.80 -0.71 0.95 -1.18 0.00 0.00 179.01 179.42 1sbb s THR 184 N -2.11 1.04 -0.29 0.32 -4.23 -1.23 -1.02 115.64 108.12 1sbb s THR 184 Ca -0.16 -2.03 -0.25 0.00 -1.18 0.00 0.00 61.69 58.07 1sbb s THR 184 Cb -0.02 -1.83 0.15 0.00 1.34 0.00 0.00 72.50 72.14 1sbb s THR 184 CO 0.55 -0.76 1.18 -0.83 -0.54 0.00 0.00 174.62 174.21 1sbb s GLY 185 N -3.14 0.03 -0.12 3.99 0.00 -1.26 -1.52 107.32 105.30 1sbb s GLY 185 Ca 0.16 2.97 -0.15 0.00 0.00 0.00 0.00 44.72 47.70 1sbb s GLY 185 CO -0.00 1.86 0.39 -2.52 0.00 0.00 0.00 173.10 172.83 1sbb s TYR 186 N 0.13 -0.40 -0.22 1.90 -0.85 -0.97 -1.33 117.35 115.62 1sbb s TYR 186 Ca 0.05 0.91 -0.08 0.00 -0.52 0.00 0.00 57.07 57.43 1sbb s TYR 186 Cb -0.05 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.40 1sbb s TYR 186 CO -0.09 -0.26 0.08 -1.50 -1.52 0.00 0.00 175.55 172.25 1sbb s ILE 187 N -0.16 4.66 -0.28 -3.49 2.07 -0.55 -1.74 121.20 121.70 1sbb s ILE 187 Ca -0.03 -0.06 -0.10 0.00 -1.41 0.00 0.00 60.65 59.05 1sbb s ILE 187 Cb -0.03 -3.15 -0.03 0.00 0.13 0.00 0.00 42.46 39.38 1sbb s ILE 187 CO 0.02 0.38 0.14 -0.75 -1.91 0.00 0.00 174.94 172.82 1sbb s LYS 188 N 1.08 3.70 -0.36 3.50 2.20 0.80 -1.55 119.74 129.10 1sbb s LYS 188 Ca 0.05 -0.47 -0.13 0.00 -0.36 0.00 0.00 55.97 55.05 1sbb s LYS 188 Cb -0.14 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1sbb s LYS 188 CO 0.03 -0.25 0.24 -0.06 -0.36 0.00 0.00 175.35 174.96 1sbb s PHE 189 N 1.68 3.23 -0.16 4.03 0.08 0.10 -1.41 117.98 125.53 1sbb s PHE 189 Ca 0.06 -0.49 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 1sbb s PHE 189 Cb -0.16 -2.49 -0.01 0.00 -0.57 0.00 0.00 43.02 39.79 1sbb s PHE 189 CO 0.07 -0.49 -0.12 0.42 -0.10 0.00 0.00 175.22 175.01 1sbb s ILE 190 N 1.67 3.02 0.00 0.64 1.01 -0.02 -1.06 121.20 126.46 1sbb s ILE 190 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1sbb s ILE 190 Cb -0.18 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 39.99 1sbb s ILE 190 CO 0.09 0.50 0.00 -0.62 0.00 0.00 0.00 174.94 174.91 1sbb n GLU 191 N 3.99 0.00 0.00 2.79 -0.58 -0.40 -0.32 120.64 126.12 1sbb n GLU 191 Ca -0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 1sbb n GLU 191 Cb 0.52 -0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 1sbb n GLU 191 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1sbb n ASN 192 N -0.61 0.00 -0.02 1.62 3.02 -1.26 -4.43 115.26 113.59 1sbb n ASN 192 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 1sbb n ASN 192 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1sbb n ASN 192 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1sbb n GLU 193 N -0.25 0.80 -2.62 3.52 0.00 -1.26 -4.94 120.64 115.88 1sbb n GLU 193 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 57.16 56.68 1sbb n GLU 193 Cb 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 31.44 30.12 1sbb n GLU 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1sbb s ASN 194 N -3.51 7.47 -0.03 4.31 4.22 -1.26 0.14 114.94 126.28 1sbb s ASN 194 Ca -0.04 2.09 -0.11 0.00 -2.14 0.00 0.00 52.86 52.66 1sbb s ASN 194 Cb 0.06 -2.62 0.02 0.00 1.28 0.00 0.00 41.25 39.99 1sbb s ASN 194 CO 0.45 0.01 0.25 -0.94 -2.04 0.00 0.00 177.10 174.83 1sbb s SER 195 N -1.00 -0.16 0.01 3.54 1.04 -1.26 -1.28 113.70 114.60 1sbb s SER 195 Ca 0.43 0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.96 1sbb s SER 195 Cb -0.29 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1sbb s SER 195 CO 0.36 -0.32 0.05 0.72 0.98 0.00 0.00 173.24 175.03 1sbb s PHE 196 N -0.92 0.13 0.19 5.02 -0.71 -0.22 -1.66 117.98 119.81 1sbb s PHE 196 Ca -0.10 -0.29 0.03 0.00 -1.04 0.00 0.00 56.93 55.53 1sbb s PHE 196 Cb -0.05 -0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.61 1sbb s PHE 196 CO 0.02 -0.22 -0.01 1.67 -1.34 0.00 0.00 175.22 175.34 1sbb s TRP 197 N -1.28 1.33 -0.01 3.49 1.48 -1.26 0.01 118.94 122.70 1sbb s TRP 197 Ca -0.14 -0.95 0.03 0.00 -1.06 0.00 0.00 56.10 53.98 1sbb s TRP 197 Cb -0.08 -0.75 -0.01 0.00 -1.16 0.00 0.00 33.47 31.47 1sbb s TRP 197 CO 0.00 -0.12 -0.09 0.71 -4.06 0.00 0.00 176.95 173.39 1sbb s TYR 198 N -3.54 0.83 -0.12 1.66 2.02 -0.60 -4.97 117.35 112.64 1sbb s TYR 198 Ca 0.24 -0.17 -0.28 0.00 -0.37 0.00 0.00 57.07 56.49 1sbb s TYR 198 Cb 0.05 -0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 41.05 1sbb s TYR 198 CO 0.05 -0.03 0.96 0.34 -1.57 0.00 0.00 175.55 175.30 1sbb s ASP 199 N -0.14 7.18 0.13 2.29 -1.08 -1.26 -1.49 116.67 122.30 1sbb s ASP 199 Ca 0.02 1.45 0.25 0.00 -0.52 0.00 0.00 52.55 53.75 1sbb s ASP 199 Cb -0.04 -2.53 0.52 0.00 -1.46 0.00 0.00 42.92 39.41 1sbb s ASP 199 CO -0.00 -0.43 1.47 0.23 0.52 0.00 0.00 175.17 176.96 1sbb n MET 200 N 5.02 0.25 -3.93 4.34 2.81 -0.44 -4.91 117.12 120.26 1sbb n MET 200 Ca 0.08 0.11 -0.33 0.00 -1.81 0.00 0.00 57.70 55.75 1sbb n MET 200 Cb 0.49 -1.69 -0.05 0.00 -0.71 0.00 0.00 33.22 31.26 1sbb n MET 200 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1sbb s MET 201 N -3.13 3.39 0.77 0.03 -1.94 -1.26 -5.00 119.30 112.16 1sbb s MET 201 Ca 0.08 -0.38 -0.12 0.00 -1.71 0.00 0.00 55.69 53.56 1sbb s MET 201 Cb 0.14 -3.05 0.06 0.00 2.01 0.00 0.00 34.83 33.98 1sbb s MET 201 CO 0.68 0.65 1.12 -1.25 -0.01 0.00 0.00 175.02 176.21 1sbb s PRO 202 N -2.10 2.15 0.78 2.03 0.04 -1.26 -4.77 135.00 131.87 1sbb s PRO 202 Ca 0.29 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1sbb s PRO 202 Cb -0.13 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.60 1sbb s PRO 202 CO 0.21 -1.75 1.09 0.00 0.04 0.00 0.00 177.00 176.60 1sbb s ALA 203 N -2.63 2.22 0.54 8.56 0.00 -1.26 -4.71 121.76 124.47 1sbb s ALA 203 Ca 0.65 0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 1sbb s ALA 203 Cb -0.20 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1sbb s ALA 203 CO 0.52 -1.81 1.32 -2.14 0.00 0.00 0.00 175.76 173.65 1sbb s PRO 204 N -4.87 3.20 0.00 0.00 0.02 -1.26 -4.66 135.00 127.44 1sbb s PRO 204 Ca 0.62 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1sbb s PRO 204 Cb -0.18 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.09 1sbb s PRO 204 CO 0.56 -1.11 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 1sbb n GLY 205 N 0.68 0.83 0.43 0.52 0.00 -0.96 -4.90 105.19 101.79 1sbb n GLY 205 Ca 0.10 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 44.19 1sbb n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sbb n ASP 206 N 2.33 2.88 -3.74 1.61 5.75 -1.26 0.21 116.55 124.33 1sbb n ASP 206 Ca 0.00 -2.60 -0.12 0.00 -0.01 0.00 0.00 54.79 52.06 1sbb n ASP 206 Cb 0.00 -0.33 -0.11 0.00 -1.03 0.00 0.00 41.12 39.65 1sbb n ASP 206 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1sbb s LYS 207 N -2.05 0.40 -0.14 0.11 -2.85 -1.26 -4.17 119.74 109.78 1sbb s LYS 207 Ca 0.26 0.56 -0.00 0.00 -1.00 0.00 0.00 55.97 55.79 1sbb s LYS 207 Cb 0.20 0.14 -0.01 0.00 -2.06 0.00 0.00 37.83 36.10 1sbb s LYS 207 CO 0.07 -0.08 -0.13 0.12 0.10 0.00 0.00 175.35 175.43 1sbb s PHE 208 N 0.50 2.81 -0.44 1.78 5.36 -1.26 -4.95 117.98 121.77 1sbb s PHE 208 Ca -0.02 -0.77 -0.14 0.00 -0.96 0.00 0.00 56.93 55.03 1sbb s PHE 208 Cb -0.04 -1.87 0.05 0.00 -0.34 0.00 0.00 43.02 40.82 1sbb s PHE 208 CO -0.03 -0.30 0.34 0.34 -1.46 0.00 0.00 175.22 174.11 1sbb s ASP 209 N 0.54 6.05 0.28 6.13 -1.08 -1.26 -4.94 116.67 122.40 1sbb s ASP 209 Ca -0.09 -1.20 -0.02 0.00 -0.52 0.00 0.00 52.55 50.72 1sbb s ASP 209 Cb -0.16 -2.14 0.40 0.00 -1.46 0.00 0.00 42.92 39.55 1sbb s ASP 209 CO 0.04 -0.56 1.88 1.56 0.52 0.00 0.00 175.17 178.61 1sbb h GLN 210 N 8.66 0.97 -0.07 4.34 4.20 -1.98 -2.37 115.11 128.84 1sbb h GLN 210 Ca -0.27 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.30 1sbb h GLN 210 Cb 1.11 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 1sbb h GLN 210 CO 0.81 0.76 0.04 1.03 -0.67 0.00 0.00 178.83 180.80 1sbb h SER 211 N 0.96 0.09 0.22 1.46 0.87 -1.98 -2.07 113.55 113.11 1sbb h SER 211 Ca 0.23 -0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.59 1sbb h SER 211 Cb 0.12 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1sbb h SER 211 CO -0.03 0.15 -0.47 0.11 -0.53 0.00 0.00 176.83 176.06 1sbb h LYS 212 N 0.03 0.30 0.09 2.24 6.56 -1.97 -2.31 116.57 121.52 1sbb h LYS 212 Ca 0.03 -0.16 -0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1sbb h LYS 212 Cb 0.08 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1sbb h LYS 212 CO -0.00 0.71 -0.04 -0.92 -2.06 0.00 0.00 179.45 177.14 1sbb h TYR 213 N 0.24 -0.12 0.00 -1.35 3.20 -1.37 -3.15 116.97 114.43 1sbb h TYR 213 Ca 0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1sbb h TYR 213 Cb 0.93 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 1sbb h TYR 213 CO 0.02 0.23 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.63 1sbb h LEU 214 N -0.48 0.00 -1.20 2.82 4.07 -1.38 -2.60 115.31 116.53 1sbb h LEU 214 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1sbb h LEU 214 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1sbb h LEU 214 CO 0.02 0.07 0.23 -0.03 -1.08 0.00 0.00 178.44 177.65 1sbb h MET 215 N 0.00 0.00 0.00 1.13 4.05 -1.37 0.15 114.93 118.89 1sbb h MET 215 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1sbb h MET 215 Cb 0.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1sbb h MET 215 CO 0.01 0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.15 1sbb n MET 216 N -2.24 0.02 0.00 0.39 0.00 -0.98 -1.87 117.12 112.44 1sbb n MET 216 Ca -0.01 0.28 0.12 0.00 0.00 0.00 0.00 57.70 58.09 1sbb n MET 216 Cb 0.26 -1.50 0.12 0.00 0.00 0.00 0.00 33.22 32.10 1sbb n MET 216 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1sbb n TYR 217 N -1.48 0.00 0.30 3.17 4.01 0.53 -4.50 117.16 119.18 1sbb n TYR 217 Ca 0.03 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.87 1sbb n TYR 217 Cb 0.14 -0.00 0.47 0.00 -0.31 0.00 0.00 39.34 39.64 1sbb n TYR 217 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1sbb n ASN 218 N 1.17 0.52 0.06 7.72 6.94 -0.78 -2.14 115.26 128.74 1sbb n ASN 218 Ca 0.14 0.67 0.11 0.00 -0.02 0.00 0.00 54.58 55.48 1sbb n ASN 218 Cb 0.57 -0.76 0.45 0.00 -2.36 0.00 0.00 39.78 37.68 1sbb n ASN 218 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1sbb n ASP 219 N -2.12 0.34 -3.39 0.53 5.75 -1.26 -0.68 116.55 115.72 1sbb n ASP 219 Ca 0.01 0.56 -0.24 0.00 -0.01 0.00 0.00 54.79 55.10 1sbb n ASP 219 Cb 0.14 -0.64 0.04 0.00 -1.03 0.00 0.00 41.12 39.63 1sbb n ASP 219 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1sbb n ASN 220 N -1.85 -5.48 -4.66 -1.12 5.15 -0.91 -4.87 115.26 101.52 1sbb n ASN 220 Ca 0.04 -0.46 -0.42 0.00 -0.60 0.00 0.00 54.58 53.14 1sbb n ASN 220 Cb 0.27 -4.40 -0.03 0.00 -0.53 0.00 0.00 39.78 35.09 1sbb n ASN 220 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1sbb s LYS 221 N -6.08 4.16 0.20 1.20 2.20 -1.26 -4.90 119.74 115.26 1sbb s LYS 221 Ca 0.46 2.42 0.04 0.00 -0.36 0.00 0.00 55.97 58.53 1sbb s LYS 221 Cb -0.22 -4.04 -0.03 0.00 -1.51 0.00 0.00 37.83 32.03 1sbb s LYS 221 CO 0.56 -0.89 0.32 -1.64 -0.36 0.00 0.00 175.35 173.34 1sbb s MET 222 N 4.12 3.43 0.02 4.03 -1.94 -1.26 -1.02 119.30 126.68 1sbb s MET 222 Ca 0.81 -0.69 0.01 0.00 -1.71 0.00 0.00 55.69 54.11 1sbb s MET 222 Cb -0.39 -2.92 -0.02 0.00 2.01 0.00 0.00 34.83 33.51 1sbb s MET 222 CO 0.36 0.47 -0.05 0.54 -0.01 0.00 0.00 175.02 176.33 1sbb s VAL 223 N -1.87 0.28 -0.36 -6.03 0.11 0.24 -4.81 120.40 107.96 1sbb s VAL 223 Ca 0.34 -0.80 -0.28 0.00 -2.93 0.00 0.00 61.98 58.30 1sbb s VAL 223 Cb -0.10 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1sbb s VAL 223 CO 0.29 -0.34 1.06 -0.62 -3.33 0.00 0.00 175.10 172.15 1sbb s ASP 224 N -1.21 6.82 0.17 3.54 -1.08 -1.26 -0.36 116.67 123.29 1sbb s ASP 224 Ca -0.10 0.84 0.09 0.00 -0.52 0.00 0.00 52.55 52.86 1sbb s ASP 224 Cb -0.08 -2.53 0.48 0.00 -1.46 0.00 0.00 42.92 39.34 1sbb s ASP 224 CO -0.00 -0.95 1.19 -1.54 0.52 0.00 0.00 175.17 174.39 1sbb n SER 225 N 7.04 0.23 -0.06 -0.34 3.41 -0.13 -0.86 113.62 122.91 1sbb n SER 225 Ca 0.11 0.52 -0.01 0.00 -0.26 0.00 0.00 58.87 59.24 1sbb n SER 225 Cb 0.48 -0.52 -0.16 0.00 -0.26 0.00 0.00 64.21 63.75 1sbb n SER 225 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1sbb n LYS 226 N -1.79 0.75 -2.00 4.33 2.85 -1.26 -4.51 118.16 116.54 1sbb n LYS 226 Ca -0.01 -0.09 -0.33 0.00 -1.05 0.00 0.00 58.31 56.84 1sbb n LYS 226 Cb 0.16 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.08 1sbb n LYS 226 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1sbb n ASP 227 N -2.49 6.33 -3.83 -5.58 8.00 -0.04 -4.98 116.55 113.96 1sbb n ASP 227 Ca -0.19 -3.78 -0.24 0.00 0.71 0.00 0.00 54.79 51.29 1sbb n ASP 227 Cb 0.87 -0.76 -0.17 0.00 -0.02 0.00 0.00 41.12 41.03 1sbb n ASP 227 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1sbb s VAL 228 N -5.10 0.58 -0.19 2.53 -7.23 -1.17 -3.90 120.40 105.92 1sbb s VAL 228 Ca 0.53 -0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.66 1sbb s VAL 228 Cb 0.44 -0.68 0.01 0.00 0.56 0.00 0.00 36.38 36.71 1sbb s VAL 228 CO -0.21 0.29 -0.14 -1.59 -0.31 0.00 0.00 175.10 173.14 1sbb s LYS 229 N 1.73 3.15 -0.13 4.82 -2.85 0.57 -4.63 119.74 122.39 1sbb s LYS 229 Ca 0.02 -0.75 -0.05 0.00 -1.00 0.00 0.00 55.97 54.19 1sbb s LYS 229 Cb -0.13 -2.74 -0.04 0.00 -2.06 0.00 0.00 37.83 32.87 1sbb s LYS 229 CO -0.05 -0.19 0.05 0.42 0.10 0.00 0.00 175.35 175.67 1sbb s ILE 230 N 1.33 4.67 -0.04 3.79 1.01 -1.20 -0.84 121.20 129.93 1sbb s ILE 230 Ca 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 1sbb s ILE 230 Cb -0.14 -3.04 0.03 0.00 0.01 0.00 0.00 42.46 39.32 1sbb s ILE 230 CO -0.09 0.54 0.01 -1.61 0.00 0.00 0.00 174.94 173.79 1sbb s GLU 231 N -0.33 0.35 -0.22 2.79 2.02 -0.50 -1.54 118.70 121.27 1sbb s GLU 231 Ca 0.08 0.11 -0.05 0.00 0.02 0.00 0.00 54.97 55.13 1sbb s GLU 231 Cb -0.12 -0.62 -0.02 0.00 0.10 0.00 0.00 34.13 33.47 1sbb s GLU 231 CO 0.02 -0.19 0.00 0.08 0.02 0.00 0.00 175.26 175.18 1sbb s VAL 232 N 1.38 3.82 -0.25 2.63 1.01 -0.07 -0.14 120.40 128.78 1sbb s VAL 232 Ca -0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1sbb s VAL 232 Cb -0.13 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 1sbb s VAL 232 CO -0.03 0.41 0.03 -0.31 0.00 0.00 0.00 175.10 175.20 1sbb s TYR 233 N 1.31 3.06 0.06 5.22 1.51 -0.71 0.30 117.35 128.09 1sbb s TYR 233 Ca 0.04 -0.87 0.08 0.00 -1.01 0.00 0.00 57.07 55.31 1sbb s TYR 233 Cb -0.15 -2.19 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 1sbb s TYR 233 CO 0.01 -0.53 -0.22 -0.51 -1.11 0.00 0.00 175.55 173.19 1sbb s LEU 234 N 1.51 2.19 -0.11 -1.29 1.43 0.52 -2.29 118.68 120.64 1sbb s LEU 234 Ca 0.04 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1sbb s LEU 234 Cb -0.16 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 1sbb s LEU 234 CO 0.00 0.17 -0.14 -0.89 0.23 0.00 0.00 176.35 175.72 1sbb s THR 235 N -0.86 2.95 0.73 5.49 2.01 -0.57 -0.33 115.64 125.06 1sbb s THR 235 Ca 0.09 -0.71 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 1sbb s THR 235 Cb -0.09 -2.21 0.06 0.00 0.01 0.00 0.00 72.50 70.27 1sbb s THR 235 CO 0.02 0.54 1.08 0.42 -0.69 0.00 0.00 174.62 176.00 1sbb s THR 236 N 0.09 2.47 -0.17 -0.82 -4.23 -1.26 -0.09 115.64 111.64 1sbb s THR 236 Ca -0.06 -0.03 -0.26 0.00 -1.18 0.00 0.00 61.69 60.16 1sbb s THR 236 Cb -0.15 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 1sbb s THR 236 CO 0.05 -0.13 0.85 -0.54 -0.54 0.00 0.00 174.62 174.30 1sbb s LYS 237 N -5.37 4.30 -1.23 3.99 -0.14 -0.88 -4.21 119.74 116.20 1sbb s LYS 237 Ca 0.60 1.04 -0.20 0.00 -1.36 0.00 0.00 55.97 56.05 1sbb s LYS 237 Cb -0.11 -3.58 -0.02 0.00 -1.68 0.00 0.00 37.83 32.45 1sbb s LYS 237 CO 0.47 -0.34 1.87 1.63 -0.76 0.00 0.00 175.35 178.22 1sbb n LYS 238 N 5.27 2.36 0.00 1.68 5.02 -1.26 -5.06 118.16 126.17 1sbb n LYS 238 Ca 0.05 -2.79 0.13 0.00 -2.02 0.00 0.00 58.31 53.68 1sbb n LYS 238 Cb 0.49 -3.55 0.76 0.00 -0.02 0.00 0.00 35.03 32.71 1sbb n LYS 238 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05