#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spq s LYS 5 N 0.00 4.32 0.25 5.56 2.20 -1.26 -4.98 119.74 125.83 1spq s LYS 5 Ca 0.00 1.96 -0.31 0.00 -0.36 0.00 0.00 55.97 57.26 1spq s LYS 5 Cb 0.00 -3.43 -0.13 0.00 -1.51 0.00 0.00 37.83 32.76 1spq s LYS 5 CO 0.00 -0.47 1.41 0.34 -0.36 0.00 0.00 175.35 176.27 1spq n PHE 6 N 4.65 2.21 -4.39 4.03 7.35 -1.24 -4.84 117.46 125.23 1spq n PHE 6 Ca 0.12 0.43 -0.24 0.00 -0.76 0.00 0.00 57.45 56.99 1spq n PHE 6 Cb 0.44 -2.47 -0.17 0.00 0.35 0.00 0.00 39.48 37.64 1spq n PHE 6 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1spq s PHE 7 N -0.11 1.34 -0.20 -5.13 2.19 -0.75 -0.92 117.98 114.41 1spq s PHE 7 Ca 0.67 -0.51 -0.01 0.00 0.33 0.00 0.00 56.93 57.40 1spq s PHE 7 Cb -0.63 -1.03 0.06 0.00 -1.31 0.00 0.00 43.02 40.10 1spq s PHE 7 CO 0.50 -0.30 -0.01 0.08 1.83 0.00 0.00 175.22 177.32 1spq s VAL 8 N 0.90 0.92 0.05 3.12 1.01 -0.55 -1.37 120.40 124.48 1spq s VAL 8 Ca -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1spq s VAL 8 Cb -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1spq s VAL 8 CO 0.01 -0.10 0.17 -0.83 0.00 0.00 0.00 175.10 174.35 1spq s GLY 9 N 1.68 2.15 -0.23 4.51 0.00 -0.30 -1.95 107.32 113.17 1spq s GLY 9 Ca -0.02 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.86 1spq s GLY 9 CO -0.07 -0.82 -0.12 -0.32 0.00 0.00 0.00 173.10 171.77 1spq s GLY 10 N -2.34 1.51 -0.54 0.20 0.00 -0.33 -1.04 107.32 104.78 1spq s GLY 10 Ca 0.32 -1.54 -0.19 0.00 0.00 0.00 0.00 44.72 43.31 1spq s GLY 10 CO 0.24 0.60 0.65 0.21 0.00 0.00 0.00 173.10 174.81 1spq s ASN 11 N 1.21 6.21 0.40 1.64 2.47 0.18 -0.61 114.94 126.43 1spq s ASN 11 Ca -0.05 -1.10 0.28 0.00 0.42 0.00 0.00 52.86 52.41 1spq s ASN 11 Cb -0.18 -2.29 1.02 0.00 -1.45 0.00 0.00 41.25 38.34 1spq s ASN 11 CO -0.07 -0.97 1.82 -0.50 -3.72 0.00 0.00 177.10 173.65 1spq h TRP 12 N 9.07 0.00 0.00 0.43 6.55 -1.71 -3.41 115.95 126.88 1spq h TRP 12 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 1spq h TRP 12 Cb 1.09 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.39 1spq h TRP 12 CO 0.78 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 179.80 1spq n LYS 13 N -2.72 0.00 -2.39 0.49 5.02 -1.26 -3.55 118.16 113.76 1spq n LYS 13 Ca 0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 1spq n LYS 13 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1spq n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1spq n MET 14 N 2.79 3.65 -3.95 1.97 0.00 -1.26 -4.40 117.12 115.93 1spq n MET 14 Ca 0.00 -3.59 -0.10 0.00 0.00 0.00 0.00 57.70 54.02 1spq n MET 14 Cb 0.00 -2.91 -0.10 0.00 0.00 0.00 0.00 33.22 30.21 1spq n MET 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1spq s ASN 15 N 0.82 0.18 0.00 6.12 0.01 -1.23 -5.15 114.94 115.69 1spq s ASN 15 Ca 0.39 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 1spq s ASN 15 Cb 0.09 0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.90 1spq s ASN 15 CO 0.01 -0.36 0.00 0.61 -1.51 0.00 0.00 177.10 175.85 1spq n GLY 16 N 1.37 2.66 2.92 0.66 0.00 -1.26 -4.84 105.19 106.70 1spq n GLY 16 Ca -0.23 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 43.73 1spq n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1spq n ASP 17 N 0.00 0.75 -0.29 1.61 5.68 -1.26 -4.98 116.55 118.06 1spq n ASP 17 Ca 0.00 -2.92 -0.02 0.00 -0.50 0.00 0.00 54.79 51.35 1spq n ASP 17 Cb 0.00 1.05 0.10 0.00 -1.14 0.00 0.00 41.12 41.12 1spq n ASP 17 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1spq h LYS 18 N 0.00 0.98 0.80 0.11 1.57 -2.00 -1.48 116.57 116.56 1spq h LYS 18 Ca -0.26 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1spq h LYS 18 Cb 1.07 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1spq h LYS 18 CO 0.41 0.65 -0.46 -0.22 -0.57 0.00 0.00 179.45 179.25 1spq h LYS 19 N 1.01 -1.14 -0.45 3.15 3.64 -1.99 -1.78 116.57 119.02 1spq h LYS 19 Ca 0.32 0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.73 1spq h LYS 19 Cb 0.00 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1spq h LYS 19 CO -0.11 -0.76 0.07 0.66 -2.27 0.00 0.00 179.45 177.04 1spq h SER 20 N -1.18 0.71 -0.05 4.20 4.64 -1.93 -2.22 113.55 117.72 1spq h SER 20 Ca -0.11 -0.26 -0.08 0.00 -0.47 0.00 0.00 61.79 60.87 1spq h SER 20 Cb 0.93 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1spq h SER 20 CO 0.13 0.79 -0.20 -0.07 -0.87 0.00 0.00 176.83 176.61 1spq h LEU 21 N 0.60 0.43 -0.87 5.97 3.38 -1.37 -2.46 115.31 120.99 1spq h LEU 21 Ca 0.14 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1spq h LEU 21 Cb 0.38 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1spq h LEU 21 CO 0.01 0.65 0.54 1.23 0.09 0.00 0.00 178.44 180.96 1spq h GLY 22 N 0.97 1.32 0.88 0.83 0.00 -1.05 -2.06 103.07 103.95 1spq h GLY 22 Ca 0.07 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1spq h GLY 22 CO 0.04 0.27 -0.08 0.83 0.00 0.00 0.00 176.54 177.60 1spq h GLU 23 N 0.99 0.55 -0.46 4.80 5.08 -1.11 -2.45 114.58 121.98 1spq h GLU 23 Ca 0.38 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1spq h GLU 23 Cb 0.18 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1spq h GLU 23 CO -0.17 0.76 0.16 1.25 -1.00 0.00 0.00 179.01 180.00 1spq h LEU 24 N 0.30 0.16 -0.78 1.33 6.46 -1.38 -2.23 115.31 119.17 1spq h LEU 24 Ca 0.07 0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.81 1spq h LEU 24 Cb 0.57 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 1spq h LEU 24 CO 0.03 0.12 0.10 0.40 -0.62 0.00 0.00 178.44 178.47 1spq h ILE 25 N 0.33 1.26 -0.36 4.05 2.04 -1.33 -2.43 117.51 121.06 1spq h ILE 25 Ca 0.22 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1spq h ILE 25 Cb 0.23 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1spq h ILE 25 CO -0.23 0.37 0.22 -0.74 0.00 0.00 0.00 178.15 177.77 1spq h HIS 26 N 0.96 0.48 -0.50 1.37 2.76 -1.23 -0.86 115.15 118.13 1spq h HIS 26 Ca 0.19 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.42 1spq h HIS 26 Cb 0.42 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.17 1spq h HIS 26 CO 0.03 0.35 0.22 1.15 -1.30 0.00 0.00 177.93 178.37 1spq h THR 27 N 0.48 0.89 -0.55 6.26 2.02 -1.22 -2.46 112.91 118.32 1spq h THR 27 Ca 0.13 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 1spq h THR 27 Cb 0.01 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1spq h THR 27 CO -0.02 0.08 0.01 -0.07 0.37 0.00 0.00 175.52 175.89 1spq h LEU 28 N 0.42 0.94 -1.64 2.58 3.38 -1.11 -2.59 115.31 117.30 1spq h LEU 28 Ca 0.23 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1spq h LEU 28 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1spq h LEU 28 CO -0.20 1.01 0.25 0.78 0.09 0.00 0.00 178.44 180.37 1spq h ASN 29 N 0.85 0.42 0.18 -0.43 2.35 -0.95 -3.01 115.58 114.99 1spq h ASN 29 Ca 0.16 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1spq h ASN 29 Cb 0.52 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1spq h ASN 29 CO 0.03 0.30 -0.37 0.61 -1.65 0.00 0.00 177.43 176.35 1spq n GLY 30 N -1.48 -0.52 3.89 2.83 0.00 -0.94 -4.98 105.19 103.97 1spq n GLY 30 Ca 0.03 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1spq n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spq s ALA 31 N -2.56 3.20 -0.58 4.61 0.00 -1.00 -5.03 121.76 120.40 1spq s ALA 31 Ca 0.21 -0.28 -0.25 0.00 0.00 0.00 0.00 51.96 51.64 1spq s ALA 31 Cb 0.19 -2.88 0.04 0.00 0.00 0.00 0.00 23.12 20.46 1spq s ALA 31 CO 0.57 -0.61 1.01 0.15 0.00 0.00 0.00 175.76 176.88 1spq s LYS 32 N -5.03 3.32 -0.14 0.00 1.02 -1.26 -5.03 119.74 112.61 1spq s LYS 32 Ca 0.53 -0.25 -0.02 0.00 0.02 0.00 0.00 55.97 56.24 1spq s LYS 32 Cb -0.11 -4.08 -0.02 0.00 -0.52 0.00 0.00 37.83 33.10 1spq s LYS 32 CO 0.50 -1.60 -0.07 -0.51 -0.92 0.00 0.00 175.35 172.75 1spq s LEU 33 N 4.25 3.09 0.21 3.17 1.43 -1.26 -4.98 118.68 124.60 1spq s LEU 33 Ca 0.32 -0.18 -0.32 0.00 -1.03 0.00 0.00 54.13 52.91 1spq s LEU 33 Cb -0.12 -1.73 -0.14 0.00 0.03 0.00 0.00 46.19 44.23 1spq s LEU 33 CO 0.19 0.18 1.43 -0.24 0.23 0.00 0.00 176.35 178.13 1spq n SER 34 N 3.48 2.71 0.28 2.29 2.88 -1.26 -4.88 113.62 119.12 1spq n SER 34 Ca -0.18 1.13 0.18 0.00 -1.33 0.00 0.00 58.87 58.67 1spq n SER 34 Cb 0.53 -1.41 0.80 0.00 -0.75 0.00 0.00 64.21 63.38 1spq n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1spq h ALA 35 N 4.57 1.00 -0.45 -1.46 0.00 -1.98 -2.87 119.26 118.07 1spq h ALA 35 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1spq h ALA 35 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1spq h ALA 35 CO 0.78 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.78 1spq n ASP 36 N -3.00 2.53 -4.38 0.00 8.00 -1.26 -4.84 116.55 113.61 1spq n ASP 36 Ca -0.00 -1.97 -0.34 0.00 0.71 0.00 0.00 54.79 53.18 1spq n ASP 36 Cb 0.24 -0.30 -0.14 0.00 -0.02 0.00 0.00 41.12 40.90 1spq n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1spq s THR 37 N -1.40 3.36 -0.39 -3.53 2.01 -1.09 -3.65 115.64 110.95 1spq s THR 37 Ca 0.32 -0.53 -0.27 0.00 0.31 0.00 0.00 61.69 61.53 1spq s THR 37 Cb 0.17 -2.47 0.02 0.00 0.01 0.00 0.00 72.50 70.23 1spq s THR 37 CO 0.23 0.48 0.98 -0.70 -0.69 0.00 0.00 174.62 174.91 1spq s GLU 38 N 0.77 3.81 -0.12 4.92 2.12 -0.10 -4.93 118.70 125.17 1spq s GLU 38 Ca -0.03 0.58 -0.03 0.00 0.36 0.00 0.00 54.97 55.85 1spq s GLU 38 Cb -0.15 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.38 1spq s GLU 38 CO 0.02 -1.05 -0.01 0.08 -0.54 0.00 0.00 175.26 173.76 1spq s VAL 39 N 3.68 4.20 -0.02 3.70 1.01 -1.26 -1.48 120.40 130.23 1spq s VAL 39 Ca 0.40 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1spq s VAL 39 Cb -0.11 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1spq s VAL 39 CO 0.21 0.55 -0.02 -0.69 0.00 0.00 0.00 175.10 175.15 1spq s VAL 40 N -0.28 0.26 -0.18 2.92 1.01 -0.82 -1.02 120.40 122.29 1spq s VAL 40 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 1spq s VAL 40 Cb -0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1spq s VAL 40 CO 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 175.10 175.23 1spq s GLY 42 N 0.73 2.05 0.16 0.00 0.00 0.22 -0.96 107.32 109.52 1spq s GLY 42 Ca -0.01 -2.27 0.03 0.00 0.00 0.00 0.00 44.72 42.47 1spq s GLY 42 CO 0.02 1.10 0.29 0.00 0.00 0.00 0.00 173.10 174.50 1spq s ALA 43 N 1.60 3.94 0.57 3.20 0.00 -1.01 -2.10 121.76 127.96 1spq s ALA 43 Ca 0.04 -1.07 -0.20 0.00 0.00 0.00 0.00 51.96 50.72 1spq s ALA 43 Cb -0.26 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 1spq s ALA 43 CO 0.05 0.49 1.12 -2.30 0.00 0.00 0.00 175.76 175.12 1spq n PRO 44 N -0.67 1.20 -0.21 0.00 -0.02 -1.26 -4.13 135.00 129.92 1spq n PRO 44 Ca -0.07 0.45 0.03 0.00 -2.02 0.00 0.00 63.50 61.89 1spq n PRO 44 Cb 0.54 -2.31 0.28 0.00 -0.02 0.00 0.00 33.50 32.00 1spq n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1spq h SER 45 N 0.89 0.80 0.54 2.55 4.64 -1.97 -1.09 113.55 119.92 1spq h SER 45 Ca -0.49 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1spq h SER 45 Cb 1.34 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1spq h SER 45 CO 0.54 0.55 0.00 -0.29 -0.87 0.00 0.00 176.83 176.76 1spq h ILE 46 N 0.93 0.00 -0.11 0.95 2.10 -2.04 -2.78 117.51 116.57 1spq h ILE 46 Ca 0.29 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 66.01 1spq h ILE 46 Cb 0.02 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.78 1spq h ILE 46 CO -0.08 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.77 1spq n TYR 47 N -2.64 0.20 -0.09 2.19 4.01 -0.43 -4.82 117.16 115.58 1spq n TYR 47 Ca 0.00 -0.63 -0.11 0.00 -0.16 0.00 0.00 57.90 57.00 1spq n TYR 47 Cb 0.18 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 1spq n TYR 47 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1spq h LEU 48 N 0.64 0.46 0.09 7.72 3.38 -1.29 -1.67 115.31 124.64 1spq h LEU 48 Ca 0.00 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1spq h LEU 48 Cb 0.74 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1spq h LEU 48 CO 0.02 0.67 -0.04 -0.78 0.09 0.00 0.00 178.44 178.40 1spq h ASP 49 N 0.23 -0.10 -0.65 -0.43 1.82 -1.88 -2.36 116.42 113.05 1spq h ASP 49 Ca 0.07 -0.08 0.13 0.00 -0.39 0.00 0.00 57.03 56.76 1spq h ASP 49 Cb 0.45 0.03 -0.12 0.00 0.68 0.00 0.00 39.33 40.36 1spq h ASP 49 CO 0.02 0.02 -0.17 0.15 -1.61 0.00 0.00 179.24 177.64 1spq h PHE 50 N -0.22 -0.37 -0.59 0.28 3.57 -1.89 -1.90 116.94 115.82 1spq h PHE 50 Ca -0.01 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1spq h PHE 50 Cb 0.18 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1spq h PHE 50 CO -0.04 -0.29 0.21 0.00 -2.23 0.00 0.00 178.31 175.96 1spq h ALA 51 N 1.63 0.78 -0.29 2.41 0.00 -1.17 -2.31 119.26 120.30 1spq h ALA 51 Ca 0.31 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1spq h ALA 51 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1spq h ALA 51 CO -0.67 0.42 -0.31 -0.09 0.00 0.00 0.00 179.25 178.59 1spq h ARG 52 N 0.83 0.62 -0.89 0.00 9.65 -1.13 -1.12 114.38 122.34 1spq h ARG 52 Ca 0.19 -0.28 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1spq h ARG 52 Cb 0.25 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.77 1spq h ARG 52 CO -0.01 0.86 0.55 1.96 2.80 0.00 0.00 179.97 186.13 1spq h GLN 53 N 0.53 1.20 0.00 0.20 4.20 -1.16 -3.33 115.11 116.75 1spq h GLN 53 Ca 0.06 -0.10 -0.27 0.00 0.06 0.00 0.00 58.65 58.40 1spq h GLN 53 Cb 0.80 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 1spq h GLN 53 CO 0.07 0.83 -1.79 1.63 -0.67 0.00 0.00 178.83 178.89 1spq n LYS 54 N -4.37 0.64 -2.67 1.46 4.76 -0.89 -4.93 118.16 112.16 1spq n LYS 54 Ca 0.10 0.20 -0.40 0.00 -2.87 0.00 0.00 58.31 55.35 1spq n LYS 54 Cb 0.05 -1.73 -0.06 0.00 -1.84 0.00 0.00 35.03 31.45 1spq n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1spq s LEU 55 N -5.85 4.57 0.25 -0.35 1.43 -0.44 -4.93 118.68 113.36 1spq s LEU 55 Ca -0.05 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 54.78 1spq s LEU 55 Cb 0.08 -3.68 -0.15 0.00 0.03 0.00 0.00 46.19 42.47 1spq s LEU 55 CO 0.83 0.03 1.03 -0.67 0.23 0.00 0.00 176.35 177.80 1spq n ASP 56 N 1.25 1.22 0.30 2.29 -0.08 -1.26 -4.89 116.55 115.38 1spq n ASP 56 Ca -0.01 1.17 0.17 0.00 -1.51 0.00 0.00 54.79 54.61 1spq n ASP 56 Cb 0.47 -1.26 0.96 0.00 2.34 0.00 0.00 41.12 43.63 1spq n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1spq h ALA 57 N 2.35 1.28 0.00 -1.67 0.00 -1.95 -1.29 119.26 117.97 1spq h ALA 57 Ca -0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1spq h ALA 57 Cb 1.34 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1spq h ALA 57 CO 0.63 0.03 -0.05 0.87 0.00 0.00 0.00 179.25 180.74 1spq h LYS 58 N 0.00 0.00 -5.51 0.00 1.57 -1.98 -3.43 116.57 107.22 1spq h LYS 58 Ca -0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1spq h LYS 58 Cb 0.11 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.32 1spq h LYS 58 CO 0.00 0.05 -0.36 0.42 -0.57 0.00 0.00 179.45 178.99 1spq s ILE 59 N -3.74 5.32 0.61 1.86 1.01 -0.49 -4.68 121.20 121.09 1spq s ILE 59 Ca 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 60.65 61.06 1spq s ILE 59 Cb 0.10 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1spq s ILE 59 CO 0.55 0.43 0.94 -0.83 0.00 0.00 0.00 174.94 176.04 1spq s GLY 60 N 0.18 1.60 -0.04 6.18 0.00 -0.19 -4.83 107.32 110.22 1spq s GLY 60 Ca 0.15 -0.55 0.04 0.00 0.00 0.00 0.00 44.72 44.37 1spq s GLY 60 CO 0.04 -0.26 -0.17 0.14 0.00 0.00 0.00 173.10 172.84 1spq s VAL 61 N -3.06 1.43 -0.03 1.40 1.01 -1.26 -1.16 120.40 118.72 1spq s VAL 61 Ca 0.54 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1spq s VAL 61 Cb -0.11 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1spq s VAL 61 CO 0.47 0.41 -0.21 0.00 0.00 0.00 0.00 175.10 175.77 1spq s ALA 62 N 0.06 1.81 0.66 5.51 0.00 -0.13 -2.78 121.76 126.89 1spq s ALA 62 Ca -0.04 -0.90 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 1spq s ALA 62 Cb -0.12 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1spq s ALA 62 CO 0.02 0.40 1.10 0.00 0.00 0.00 0.00 175.76 177.28 1spq s ALA 63 N -0.31 2.48 -1.66 0.00 0.00 -0.88 -2.39 121.76 119.00 1spq s ALA 63 Ca 0.03 0.50 0.25 0.00 0.00 0.00 0.00 51.96 52.74 1spq s ALA 63 Cb -0.10 -3.30 0.44 0.00 0.00 0.00 0.00 23.12 20.15 1spq s ALA 63 CO 0.01 -1.28 1.36 1.04 0.00 0.00 0.00 175.76 176.89 1spq n GLN 64 N -2.49 0.75 -3.61 0.00 6.02 -1.26 -1.56 117.38 115.23 1spq n GLN 64 Ca 0.10 -0.51 -0.04 0.00 -0.01 0.00 0.00 57.00 56.53 1spq n GLN 64 Cb 0.52 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.26 1spq n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1spq s ASN 65 N -2.61 -0.13 0.34 1.08 2.47 -1.23 -4.69 114.94 110.17 1spq s ASN 65 Ca 0.20 0.05 -0.12 0.00 0.42 0.00 0.00 52.86 53.40 1spq s ASN 65 Cb 0.18 0.12 0.03 0.00 -1.45 0.00 0.00 41.25 40.13 1spq s ASN 65 CO 0.59 -0.18 0.64 0.00 -3.72 0.00 0.00 177.10 174.43 1spq n TYR 67 N -0.51 -2.08 0.02 0.00 9.36 -0.47 -4.98 117.16 118.51 1spq n TYR 67 Ca -0.04 -0.97 0.05 0.00 3.32 0.00 0.00 57.90 60.26 1spq n TYR 67 Cb 0.61 -0.23 0.11 0.00 -0.63 0.00 0.00 39.34 39.20 1spq n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1spq n LYS 68 N -1.37 2.11 -4.29 2.98 2.85 -1.26 -4.62 118.16 114.56 1spq n LYS 68 Ca 0.04 -1.73 -0.15 0.00 -1.05 0.00 0.00 58.31 55.42 1spq n LYS 68 Cb 0.27 -1.23 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 1spq n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1spq s VAL 69 N -0.96 0.88 0.21 0.58 -7.23 -1.26 -4.84 120.40 107.79 1spq s VAL 69 Ca 0.19 -2.01 0.15 0.00 -1.81 0.00 0.00 61.98 58.49 1spq s VAL 69 Cb 0.10 -2.22 0.07 0.00 0.56 0.00 0.00 36.38 34.89 1spq s VAL 69 CO 0.14 -0.41 1.68 -0.65 -0.31 0.00 0.00 175.10 175.56 1spq h PRO 70 N 2.58 0.00 -3.04 4.82 0.11 -1.99 -3.44 132.00 131.05 1spq h PRO 70 Ca -0.37 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.75 1spq h PRO 70 Cb 1.21 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 1spq h PRO 70 CO 0.63 0.48 0.19 -1.59 -0.21 0.00 0.00 178.00 177.50 1spq s LYS 71 N -3.61 1.47 0.00 1.05 -2.85 -1.26 -4.73 119.74 109.81 1spq s LYS 71 Ca -0.00 -0.70 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 1spq s LYS 71 Cb 0.12 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.47 1spq s LYS 71 CO 0.72 -0.65 0.00 0.41 0.10 0.00 0.00 175.35 175.92 1spq n GLY 72 N -0.40 0.42 2.71 0.59 0.00 -1.26 -5.01 105.19 102.23 1spq n GLY 72 Ca -0.12 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1spq n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spq n ALA 73 N -0.72 5.89 -3.33 4.61 0.00 -1.26 -4.73 120.51 120.97 1spq n ALA 73 Ca 0.00 -4.12 -0.26 0.00 0.00 0.00 0.00 53.44 49.07 1spq n ALA 73 Cb 0.00 -3.08 -0.08 0.00 0.00 0.00 0.00 19.45 16.29 1spq n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1spq n PHE 74 N 3.85 1.36 -1.66 0.00 3.72 -1.26 -5.10 117.46 118.37 1spq n PHE 74 Ca 0.50 -3.82 -0.54 0.00 -0.05 0.00 0.00 57.45 53.55 1spq n PHE 74 Cb 0.33 -0.40 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 1spq n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1spq n THR 75 N 1.32 0.18 -0.05 4.37 -1.04 -1.26 -1.72 114.28 116.08 1spq n THR 75 Ca 0.25 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1spq n THR 75 Cb 0.47 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 1spq n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1spq n GLY 76 N 3.45 0.58 3.86 3.41 0.00 -1.26 -5.09 105.19 110.14 1spq n GLY 76 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1spq n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1spq s GLU 77 N -0.81 2.88 0.18 1.61 0.41 -0.70 -5.16 118.70 117.11 1spq s GLU 77 Ca 0.00 -1.14 0.06 0.00 -0.41 0.00 0.00 54.97 53.48 1spq s GLU 77 Cb 0.00 -2.56 -0.05 0.00 -1.78 0.00 0.00 34.13 29.74 1spq s GLU 77 CO 0.00 0.24 -0.13 0.96 -0.49 0.00 0.00 175.26 175.85 1spq s ILE 78 N -2.20 1.50 0.30 -1.63 -4.36 -1.26 -5.04 121.20 108.51 1spq s ILE 78 Ca 0.37 -2.12 0.09 0.00 -0.26 0.00 0.00 60.65 58.74 1spq s ILE 78 Cb -0.07 -1.93 -0.05 0.00 1.25 0.00 0.00 42.46 41.66 1spq s ILE 78 CO 0.26 -0.64 0.02 -0.94 0.24 0.00 0.00 174.94 173.89 1spq s SER 79 N -3.20 4.44 0.38 4.36 1.04 -1.26 -1.37 113.70 118.10 1spq s SER 79 Ca 0.19 -0.78 0.11 0.00 0.48 0.00 0.00 55.95 55.95 1spq s SER 79 Cb 0.00 -0.72 0.89 0.00 0.10 0.00 0.00 66.02 66.30 1spq s SER 79 CO 0.04 -0.12 1.91 -0.65 0.98 0.00 0.00 173.24 175.40 1spq h PRO 80 N 1.81 0.58 -0.99 4.02 0.11 -1.84 -2.03 132.00 133.67 1spq h PRO 80 Ca -0.44 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1spq h PRO 80 Cb 1.25 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 1spq h PRO 80 CO 0.62 0.39 0.64 0.00 -0.21 0.00 0.00 178.00 179.44 1spq h ALA 81 N 1.62 1.32 -0.50 -0.75 0.00 -1.92 -1.45 119.26 117.58 1spq h ALA 81 Ca 0.38 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1spq h ALA 81 Cb 0.66 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1spq h ALA 81 CO -0.15 0.51 -0.09 0.52 0.00 0.00 0.00 179.25 180.03 1spq h MET 82 N 1.22 0.95 -0.42 0.00 2.86 -1.72 -2.08 114.93 115.75 1spq h MET 82 Ca 0.40 -0.35 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1spq h MET 82 Cb 0.04 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1spq h MET 82 CO -0.14 1.02 0.08 0.82 1.06 0.00 0.00 176.91 179.75 1spq h ILE 83 N 0.82 1.24 -0.60 -1.22 2.04 -1.12 -2.67 117.51 116.00 1spq h ILE 83 Ca 0.13 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 1spq h ILE 83 Cb 0.65 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1spq h ILE 83 CO 0.04 0.30 0.23 0.11 0.00 0.00 0.00 178.15 178.84 1spq h LYS 84 N 0.54 0.87 -0.91 2.37 1.57 -1.29 -2.30 116.57 117.41 1spq h LYS 84 Ca 0.13 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1spq h LYS 84 Cb 0.36 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1spq h LYS 84 CO 0.01 0.72 0.60 0.22 -0.57 0.00 0.00 179.45 180.43 1spq h ASP 85 N 0.86 1.03 -0.08 0.86 3.58 -1.04 -1.57 116.42 120.05 1spq h ASP 85 Ca 0.20 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1spq h ASP 85 Cb 0.17 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1spq h ASP 85 CO -0.02 0.73 0.00 2.30 -2.88 0.00 0.00 179.24 179.37 1spq n ILE 86 N -4.41 0.09 -0.17 2.25 -6.64 -1.06 -4.95 119.36 104.47 1spq n ILE 86 Ca 0.11 -0.28 0.00 0.00 -1.77 0.00 0.00 62.75 60.81 1spq n ILE 86 Cb 0.05 0.41 0.00 0.00 -1.44 0.00 0.00 39.64 38.65 1spq n ILE 86 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1spq n GLY 87 N 1.15 0.91 3.84 3.28 0.00 -0.59 -4.83 105.19 108.95 1spq n GLY 87 Ca 0.18 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1spq n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spq s ALA 88 N -2.00 3.35 -0.74 4.61 0.00 -0.88 -4.93 121.76 121.17 1spq s ALA 88 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.08 1spq s ALA 88 Cb 0.00 -2.77 0.03 0.00 0.00 0.00 0.00 23.12 20.38 1spq s ALA 88 CO 0.00 0.34 0.61 0.00 0.00 0.00 0.00 175.76 176.71 1spq n ALA 89 N -0.11 2.57 -2.35 0.00 0.00 -1.16 -3.94 120.51 115.53 1spq n ALA 89 Ca 0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.86 1spq n ALA 89 Cb 0.53 -0.24 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 1spq n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1spq s TRP 90 N -0.83 1.17 -0.02 0.00 0.52 -1.12 -1.22 118.94 117.44 1spq s TRP 90 Ca 0.07 -0.72 -0.02 0.00 0.02 0.00 0.00 56.10 55.45 1spq s TRP 90 Cb 0.06 -0.62 0.01 0.00 -1.15 0.00 0.00 33.47 31.77 1spq s TRP 90 CO 0.13 0.04 0.06 0.54 0.02 0.00 0.00 176.95 177.74 1spq s VAL 91 N -2.93 -0.00 -0.10 4.03 0.11 -0.89 -2.06 120.40 118.55 1spq s VAL 91 Ca 0.11 0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 58.95 1spq s VAL 91 Cb 0.00 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.72 1spq s VAL 91 CO 0.00 0.01 0.67 -0.63 -3.33 0.00 0.00 175.10 171.82 1spq s ILE 92 N 0.11 5.05 0.02 7.04 1.01 -0.60 -1.60 121.20 132.22 1spq s ILE 92 Ca -0.01 1.36 0.03 0.00 0.00 0.00 0.00 60.65 62.03 1spq s ILE 92 Cb -0.01 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1spq s ILE 92 CO -0.00 0.22 -0.09 -0.76 0.00 0.00 0.00 174.94 174.31 1spq s LEU 93 N 1.07 2.12 -1.02 2.97 1.43 -0.70 -3.55 118.68 121.00 1spq s LEU 93 Ca 0.35 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1spq s LEU 93 Cb -0.17 -0.38 0.00 0.00 0.03 0.00 0.00 46.19 45.67 1spq s LEU 93 CO 0.15 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1spq n GLY 94 N 2.28 0.57 3.67 -3.19 0.00 -1.26 -1.54 105.19 105.72 1spq n GLY 94 Ca -0.17 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 1spq n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1spq n HIS 95 N -3.35 1.71 -0.20 1.61 -0.00 -1.26 -4.49 115.22 109.23 1spq n HIS 95 Ca -0.12 0.49 0.15 0.00 0.46 0.00 0.00 57.72 58.70 1spq n HIS 95 Cb 0.47 -2.30 0.47 0.00 -0.12 0.00 0.00 29.99 28.51 1spq n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1spq h SER 96 N 1.56 0.47 0.11 0.26 4.64 -1.95 -0.67 113.55 117.97 1spq h SER 96 Ca -0.48 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 1spq h SER 96 Cb 1.32 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1spq h SER 96 CO 0.57 0.24 -0.43 -0.33 -0.87 0.00 0.00 176.83 176.00 1spq h GLU 97 N 0.50 0.41 -0.31 4.77 5.08 -1.97 -0.70 114.58 122.35 1spq h GLU 97 Ca 0.40 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1spq h GLU 97 Cb 0.84 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1spq h GLU 97 CO -0.15 0.77 0.11 0.00 -1.00 0.00 0.00 179.01 178.74 1spq h ARG 98 N 0.33 0.48 -0.17 2.33 2.47 -1.49 -2.24 114.38 116.08 1spq h ARG 98 Ca 0.03 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 1spq h ARG 98 Cb 0.90 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 1spq h ARG 98 CO 0.08 0.51 0.03 0.00 0.56 0.00 0.00 179.97 181.15 1spq h ARG 99 N 0.35 0.28 0.00 0.04 3.08 -1.20 -1.92 114.38 115.01 1spq h ARG 99 Ca 0.10 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 1spq h ARG 99 Cb 0.22 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1spq h ARG 99 CO -0.01 0.45 -2.02 0.72 -1.07 0.00 0.00 179.97 178.04 1spq n HIS 100 N -4.78 0.00 0.01 3.04 8.25 -0.29 -2.05 115.22 119.40 1spq n HIS 100 Ca -0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.20 1spq n HIS 100 Cb 0.18 -0.67 -0.14 0.00 1.12 0.00 0.00 29.99 30.48 1spq n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1spq h VAL 101 N 0.00 0.89 -0.07 1.59 2.07 -1.59 -3.41 116.25 115.74 1spq h VAL 101 Ca -0.29 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 64.85 1spq h VAL 101 Cb 1.59 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.98 1spq h VAL 101 CO 0.02 0.75 0.00 0.49 0.02 0.00 0.00 177.57 178.85 1spq n PHE 102 N -3.79 0.06 -2.04 1.57 3.72 -1.12 -5.02 117.46 110.84 1spq n PHE 102 Ca -0.28 -0.04 -0.07 0.00 -0.05 0.00 0.00 57.45 57.02 1spq n PHE 102 Cb 0.95 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.48 1spq n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1spq n GLY 103 N 1.03 0.17 3.70 1.37 0.00 -0.76 -4.94 105.19 105.75 1spq n GLY 103 Ca 0.11 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1spq n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1spq s GLU 104 N -4.16 4.37 0.54 1.61 2.02 -0.96 -4.98 118.70 117.14 1spq s GLU 104 Ca 0.00 1.78 -0.08 0.00 0.02 0.00 0.00 54.97 56.69 1spq s GLU 104 Cb 0.00 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 1spq s GLU 104 CO 0.00 -0.40 0.90 -1.54 0.02 0.00 0.00 175.26 174.25 1spq s SER 105 N 1.38 6.27 0.29 -0.19 1.04 -1.26 -4.55 113.70 116.68 1spq s SER 105 Ca 0.59 1.18 0.02 0.00 0.48 0.00 0.00 55.95 58.22 1spq s SER 105 Cb -0.28 -2.36 0.56 0.00 0.10 0.00 0.00 66.02 64.04 1spq s SER 105 CO 0.26 -0.70 1.85 0.44 0.98 0.00 0.00 173.24 176.06 1spq h ASP 106 N 0.05 0.92 -0.50 7.02 3.32 -1.99 -1.91 116.42 123.32 1spq h ASP 106 Ca -0.46 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 1spq h ASP 106 Cb 1.20 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 1spq h ASP 106 CO 0.62 0.50 0.18 -0.08 -1.72 0.00 0.00 179.24 178.74 1spq h GLU 107 N 0.99 0.76 -0.31 3.56 4.81 -1.95 -1.29 114.58 121.15 1spq h GLU 107 Ca 0.48 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.51 1spq h GLU 107 Cb 0.46 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1spq h GLU 107 CO -0.24 0.70 -0.01 1.25 -0.73 0.00 0.00 179.01 179.97 1spq h LEU 108 N 0.67 0.55 -0.79 1.64 5.85 -1.90 -2.27 115.31 119.07 1spq h LEU 108 Ca 0.16 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1spq h LEU 108 Cb 0.24 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1spq h LEU 108 CO -0.01 0.74 0.51 0.40 -0.34 0.00 0.00 178.44 179.74 1spq h ILE 109 N 0.35 1.21 -0.52 4.05 2.04 -1.28 -1.65 117.51 121.70 1spq h ILE 109 Ca 0.09 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1spq h ILE 109 Cb 0.46 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1spq h ILE 109 CO 0.02 0.20 0.28 1.23 0.00 0.00 0.00 178.15 179.88 1spq h GLY 110 N 1.07 0.79 0.99 5.37 0.00 -1.16 -1.30 103.07 108.83 1spq h GLY 110 Ca 0.29 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.27 1spq h GLY 110 CO -0.06 0.35 0.62 1.46 0.00 0.00 0.00 176.54 178.91 1spq h GLN 111 N 0.70 1.17 -0.42 4.80 4.20 -1.20 -2.44 115.11 121.93 1spq h GLN 111 Ca 0.18 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1spq h GLN 111 Cb 0.07 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1spq h GLN 111 CO -0.03 0.78 0.13 0.87 -0.67 0.00 0.00 178.83 179.91 1spq h LYS 112 N 1.21 0.65 -0.36 1.46 1.57 -0.87 -2.64 116.57 117.59 1spq h LYS 112 Ca 0.36 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1spq h LYS 112 Cb -0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1spq h LYS 112 CO -0.10 0.64 0.21 0.28 -0.57 0.00 0.00 179.45 179.91 1spq h VAL 113 N 0.53 1.04 -0.90 0.50 2.07 -1.08 -1.22 116.25 117.19 1spq h VAL 113 Ca 0.13 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1spq h VAL 113 Cb 0.26 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1spq h VAL 113 CO -0.00 0.08 0.53 0.00 0.02 0.00 0.00 177.57 178.19 1spq h ALA 114 N 1.16 1.23 -0.08 1.67 0.00 -1.43 -2.43 119.26 119.38 1spq h ALA 114 Ca 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1spq h ALA 114 Cb 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1spq h ALA 114 CO -0.07 0.65 -0.14 1.25 0.00 0.00 0.00 179.25 180.95 1spq h HIS 115 N 1.25 0.29 -0.69 0.00 6.17 -1.26 -2.63 115.15 118.28 1spq h HIS 115 Ca 0.32 -0.10 0.03 0.00 0.71 0.00 0.00 60.37 61.33 1spq h HIS 115 Cb -0.03 -0.05 -0.04 0.00 2.52 0.00 0.00 27.41 29.81 1spq h HIS 115 CO 0.01 0.73 0.43 0.00 0.71 0.00 0.00 177.93 179.80 1spq h ALA 116 N 0.51 0.90 -0.44 5.26 0.00 -1.18 -1.72 119.26 122.58 1spq h ALA 116 Ca 0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1spq h ALA 116 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1spq h ALA 116 CO 0.03 0.19 -0.29 -0.07 0.00 0.00 0.00 179.25 179.11 1spq h LEU 117 N 0.83 1.01 -1.38 0.00 3.38 -1.51 -1.85 115.31 115.79 1spq h LEU 117 Ca 0.28 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1spq h LEU 117 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1spq h LEU 117 CO -0.11 1.22 -0.10 0.00 0.09 0.00 0.00 178.44 179.54 1spq h ALA 118 N 0.84 1.49 -0.00 1.53 0.00 -1.28 -2.52 119.26 119.33 1spq h ALA 118 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1spq h ALA 118 Cb 0.87 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1spq h ALA 118 CO 0.08 0.36 -0.03 0.39 0.00 0.00 0.00 179.25 180.05 1spq n GLU 119 N -4.28 0.71 -0.18 0.00 -0.58 -0.66 -4.93 120.64 110.70 1spq n GLU 119 Ca -0.00 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1spq n GLU 119 Cb 0.26 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1spq n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1spq n GLY 120 N 1.20 0.91 3.88 0.62 0.00 -0.95 -4.98 105.19 105.88 1spq n GLY 120 Ca 0.17 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1spq n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1spq s LEU 121 N 0.00 3.91 0.44 0.99 1.43 -0.72 -5.02 118.68 119.71 1spq s LEU 121 Ca 0.00 1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 53.95 1spq s LEU 121 Cb 0.00 -3.88 -0.09 0.00 0.03 0.00 0.00 46.19 42.25 1spq s LEU 121 CO 0.00 -0.33 0.90 -0.83 0.23 0.00 0.00 176.35 176.32 1spq s GLY 122 N -3.11 2.19 -0.08 -3.19 0.00 -0.35 -4.25 107.32 98.52 1spq s GLY 122 Ca 0.49 0.16 0.02 0.00 0.00 0.00 0.00 44.72 45.39 1spq s GLY 122 CO 0.30 0.41 -0.12 0.14 0.00 0.00 0.00 173.10 173.83 1spq s VAL 123 N -2.34 1.20 -0.54 1.40 1.01 -0.77 -2.10 120.40 118.25 1spq s VAL 123 Ca 0.58 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 1spq s VAL 123 Cb -0.10 -1.11 0.09 0.00 0.00 0.00 0.00 36.38 35.27 1spq s VAL 123 CO 0.24 0.38 0.59 -0.63 0.00 0.00 0.00 175.10 175.67 1spq s ILE 124 N 0.82 4.99 -0.25 2.22 1.01 -0.63 -1.29 121.20 128.06 1spq s ILE 124 Ca -0.11 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.39 1spq s ILE 124 Cb -0.15 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1spq s ILE 124 CO 0.02 -0.91 0.32 0.00 0.00 0.00 0.00 174.94 174.37 1spq s ALA 125 N 2.26 3.56 -0.13 9.38 0.00 -0.19 -1.72 121.76 134.93 1spq s ALA 125 Ca 0.09 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.17 1spq s ALA 125 Cb -0.24 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1spq s ALA 125 CO 0.07 -0.52 0.11 0.00 0.00 0.00 0.00 175.76 175.42 1spq s ILE 127 N -0.66 0.96 0.00 0.00 -4.36 -0.46 -4.66 121.20 112.01 1spq s ILE 127 Ca 0.12 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1spq s ILE 127 Cb -0.12 -1.87 0.00 0.00 1.25 0.00 0.00 42.46 41.72 1spq s ILE 127 CO 0.02 -0.72 0.00 0.61 0.24 0.00 0.00 174.94 175.10 1spq n GLY 128 N -0.17 2.85 3.89 6.27 0.00 -1.26 -0.63 105.19 116.14 1spq n GLY 128 Ca -0.10 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1spq n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1spq s GLU 129 N -1.78 3.59 0.86 1.61 1.03 -1.25 -4.85 118.70 117.91 1spq s GLU 129 Ca 0.00 -0.08 -0.12 0.00 0.03 0.00 0.00 54.97 54.79 1spq s GLU 129 Cb 0.00 -3.03 0.13 0.00 -0.80 0.00 0.00 34.13 30.43 1spq s GLU 129 CO 0.00 0.61 1.21 0.15 -1.33 0.00 0.00 175.26 175.89 1spq s LYS 130 N -1.98 1.41 0.10 -4.83 1.02 -1.26 -2.82 119.74 111.38 1spq s LYS 130 Ca 0.31 -0.24 -0.18 0.00 0.02 0.00 0.00 55.97 55.88 1spq s LYS 130 Cb -0.13 -1.96 -0.06 0.00 -0.52 0.00 0.00 37.83 35.16 1spq s LYS 130 CO 0.19 -1.89 1.59 1.25 -0.92 0.00 0.00 175.35 175.57 1spq h LEU 131 N -1.21 0.44 -1.30 3.17 5.85 -1.86 -1.76 115.31 118.63 1spq h LEU 131 Ca -0.45 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.06 1spq h LEU 131 Cb 1.28 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1spq h LEU 131 CO 0.52 0.56 0.49 -2.24 -0.34 0.00 0.00 178.44 177.42 1spq h ASP 132 N 0.29 0.80 -0.46 1.25 2.03 -1.97 -1.53 116.42 116.84 1spq h ASP 132 Ca 0.09 -0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 56.28 1spq h ASP 132 Cb 0.29 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 1spq h ASP 132 CO 0.00 0.57 -0.09 -0.33 -1.03 0.00 0.00 179.24 178.36 1spq h GLU 133 N 0.94 0.87 -0.59 4.15 5.08 -1.90 -2.51 114.58 120.62 1spq h GLU 133 Ca 0.28 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1spq h GLU 133 Cb -0.02 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1spq h GLU 133 CO -0.07 0.96 0.39 -0.09 -1.00 0.00 0.00 179.01 179.20 1spq h ARG 134 N 0.71 0.78 0.00 2.33 9.65 -0.90 -2.74 114.38 124.21 1spq h ARG 134 Ca 0.12 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 1spq h ARG 134 Cb 0.63 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1spq h ARG 134 CO 0.04 0.51 -0.31 0.93 2.80 0.00 0.00 179.97 183.95 1spq h GLU 135 N 0.80 0.00 -0.00 0.20 4.39 -1.20 -2.79 114.58 115.97 1spq h GLU 135 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1spq h GLU 135 Cb -0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1spq h GLU 135 CO -0.05 0.31 -0.09 0.00 -1.16 0.00 0.00 179.01 178.02 1spq n ALA 136 N -2.45 2.72 -0.88 3.43 0.00 -0.95 -4.93 120.51 117.44 1spq n ALA 136 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1spq n ALA 136 Cb 0.36 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1spq n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1spq n GLY 137 N 1.27 0.50 1.74 0.00 0.00 -1.05 -4.96 105.19 102.68 1spq n GLY 137 Ca 0.15 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 1spq n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1spq n ILE 138 N -2.88 2.91 0.03 -0.61 -5.35 -1.06 -4.71 119.36 107.69 1spq n ILE 138 Ca 0.00 -2.65 -0.11 0.00 -0.27 0.00 0.00 62.75 59.72 1spq n ILE 138 Cb 0.00 -0.55 -0.05 0.00 -1.74 0.00 0.00 39.64 37.30 1spq n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1spq h THR 139 N 1.10 0.77 -0.49 7.28 2.02 -1.88 -2.37 112.91 119.34 1spq h THR 139 Ca 0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.60 1spq h THR 139 Cb 1.92 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.08 1spq h THR 139 CO 0.82 0.00 0.32 -0.33 0.37 0.00 0.00 175.52 176.69 1spq h GLU 140 N -0.13 0.66 -0.68 6.66 5.08 -1.97 -2.41 114.58 121.79 1spq h GLU 140 Ca 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1spq h GLU 140 Cb 0.19 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1spq h GLU 140 CO -0.12 0.45 0.35 -0.22 -1.00 0.00 0.00 179.01 178.48 1spq h LYS 141 N 0.67 0.95 0.07 2.33 3.64 -1.89 -1.82 116.57 120.52 1spq h LYS 141 Ca 0.18 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1spq h LYS 141 Cb -0.05 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1spq h LYS 141 CO -0.04 0.72 -0.03 0.28 -2.27 0.00 0.00 179.45 178.11 1spq h VAL 142 N 0.96 1.23 0.00 2.00 2.07 -1.16 -2.73 116.25 118.62 1spq h VAL 142 Ca 0.24 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.47 1spq h VAL 142 Cb 0.06 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1spq h VAL 142 CO -0.04 0.29 -0.32 -0.37 0.02 0.00 0.00 177.57 177.16 1spq h VAL 143 N -0.66 0.85 -0.03 2.57 -1.51 -1.42 -2.02 116.25 114.03 1spq h VAL 143 Ca -0.01 -1.29 -0.22 0.00 -1.23 0.00 0.00 66.70 63.95 1spq h VAL 143 Cb 0.55 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1spq h VAL 143 CO 0.02 0.31 -0.88 -0.26 -1.23 0.00 0.00 177.57 175.53 1spq h PHE 144 N 0.00 0.63 -0.35 5.19 0.04 -1.41 -0.80 116.94 120.24 1spq h PHE 144 Ca -0.00 -0.32 -0.03 0.00 2.80 0.00 0.00 57.97 60.41 1spq h PHE 144 Cb 0.76 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.82 1spq h PHE 144 CO 0.00 1.13 0.10 1.49 -0.60 0.00 0.00 178.31 180.42 1spq h GLU 145 N 0.26 0.55 -0.62 1.51 4.81 -1.26 -0.50 114.58 119.34 1spq h GLU 145 Ca -0.07 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 1spq h GLU 145 Cb 1.50 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.78 1spq h GLU 145 CO 0.15 0.59 0.01 1.96 -0.73 0.00 0.00 179.01 181.00 1spq h GLN 146 N 0.41 1.09 -0.37 1.92 4.20 -1.37 -2.71 115.11 118.28 1spq h GLN 146 Ca 0.11 -0.34 -0.13 0.00 0.06 0.00 0.00 58.65 58.35 1spq h GLN 146 Cb 0.28 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1spq h GLN 146 CO -0.00 1.05 -0.28 1.15 -0.67 0.00 0.00 178.83 180.08 1spq h THR 147 N 0.99 1.28 -0.49 -0.54 2.02 -1.08 -2.92 112.91 112.17 1spq h THR 147 Ca 0.18 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.94 1spq h THR 147 Cb 0.55 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1spq h THR 147 CO 0.03 0.47 0.31 0.50 0.37 0.00 0.00 175.52 177.21 1spq h LYS 148 N 0.66 0.65 0.00 6.66 3.64 -0.99 -0.80 116.57 126.39 1spq h LYS 148 Ca 0.08 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1spq h LYS 148 Cb 0.81 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1spq h LYS 148 CO 0.07 0.45 -0.15 0.00 -2.27 0.00 0.00 179.45 177.55 1spq h ALA 149 N 1.17 1.27 0.01 5.00 0.00 -1.38 -1.55 119.26 123.78 1spq h ALA 149 Ca 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1spq h ALA 149 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1spq h ALA 149 CO -0.04 0.18 -0.15 0.82 0.00 0.00 0.00 179.25 180.07 1spq h ILE 150 N 0.00 1.66 -0.32 0.00 2.04 -1.28 -3.39 117.51 116.21 1spq h ILE 150 Ca -0.00 -2.12 -0.08 0.00 1.00 0.00 0.00 64.86 63.66 1spq h ILE 150 Cb 0.40 3.07 -0.02 0.00 -0.74 0.00 0.00 36.82 39.53 1spq h ILE 150 CO 0.02 0.56 -0.12 0.00 0.00 0.00 0.00 178.15 178.61 1spq h ALA 151 N 0.14 1.20 0.00 1.87 0.00 -0.68 -1.28 119.26 120.50 1spq h ALA 151 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1spq h ALA 151 Cb 1.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1spq h ALA 151 CO 0.03 0.52 0.26 -0.44 0.00 0.00 0.00 179.25 179.62 1spq h ASP 152 N 0.51 0.00 -0.15 0.00 3.32 -1.49 -2.17 116.42 116.43 1spq h ASP 152 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1spq h ASP 152 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1spq h ASP 152 CO 0.03 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.14 1spq n ASN 153 N -2.76 2.62 -4.28 6.45 3.02 -0.49 -4.99 115.26 114.82 1spq n ASN 153 Ca -0.02 -2.28 -0.33 0.00 -0.03 0.00 0.00 54.58 51.91 1spq n ASN 153 Cb 0.31 -0.21 -0.15 0.00 -0.61 0.00 0.00 39.78 39.12 1spq n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1spq s VAL 154 N -1.50 2.81 -0.25 2.41 1.01 -0.82 -4.07 120.40 119.99 1spq s VAL 154 Ca 0.18 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1spq s VAL 154 Cb 0.12 -2.20 -0.17 0.00 0.00 0.00 0.00 36.38 34.14 1spq s VAL 154 CO 0.07 0.50 -0.19 0.29 0.00 0.00 0.00 175.10 175.78 1spq n LYS 155 N 4.10 0.64 -4.04 2.72 5.02 -1.26 -4.90 118.16 120.45 1spq n LYS 155 Ca -0.19 0.20 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 1spq n LYS 155 Cb 0.52 -1.54 -0.15 0.00 -0.02 0.00 0.00 35.03 33.84 1spq n LYS 155 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1spq s ASP 156 N -6.81 4.64 0.00 4.39 2.15 -1.26 -5.00 116.67 114.78 1spq s ASP 156 Ca -0.34 -1.81 0.24 0.00 0.43 0.00 0.00 52.55 51.07 1spq s ASP 156 Cb 0.10 -1.60 1.11 0.00 -0.30 0.00 0.00 42.92 42.23 1spq s ASP 156 CO 0.59 -0.30 1.77 0.79 -0.17 0.00 0.00 175.17 177.86 1spq n TRP 157 N 4.34 0.00 0.31 -5.34 7.02 -1.26 -3.30 117.44 119.21 1spq n TRP 157 Ca -0.04 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.63 1spq n TRP 157 Cb 0.42 -0.38 1.00 0.00 -2.42 0.00 0.00 31.31 29.93 1spq n TRP 157 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1spq h SER 158 N 0.00 0.00 -0.59 -0.99 4.64 -1.96 -2.68 113.55 111.98 1spq h SER 158 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1spq h SER 158 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1spq h SER 158 CO 0.00 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1spq n LYS 159 N -3.31 3.29 -4.99 4.77 4.76 -1.21 -4.97 118.16 116.50 1spq n LYS 159 Ca -0.02 -2.69 -0.30 0.00 -2.87 0.00 0.00 58.31 52.43 1spq n LYS 159 Cb 0.14 -1.71 -0.15 0.00 -1.84 0.00 0.00 35.03 31.48 1spq n LYS 159 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1spq s VAL 160 N -1.58 2.05 -0.07 -0.18 1.01 -1.01 -1.85 120.40 118.77 1spq s VAL 160 Ca 0.45 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1spq s VAL 160 Cb 0.28 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1spq s VAL 160 CO 0.24 0.41 -0.14 -0.69 0.00 0.00 0.00 175.10 174.92 1spq s VAL 161 N -0.74 1.26 -0.23 2.92 1.01 -0.41 -4.61 120.40 119.60 1spq s VAL 161 Ca 0.11 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1spq s VAL 161 Cb -0.10 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1spq s VAL 161 CO 0.01 0.38 0.24 -0.22 0.00 0.00 0.00 175.10 175.52 1spq s LEU 162 N 0.62 4.12 -0.22 3.92 2.96 -0.97 -1.02 118.68 128.10 1spq s LEU 162 Ca -0.15 0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 1spq s LEU 162 Cb -0.16 -2.24 -0.00 0.00 0.50 0.00 0.00 46.19 44.28 1spq s LEU 162 CO 0.04 0.01 -0.06 0.00 -1.32 0.00 0.00 176.35 175.02 1spq s ALA 163 N 1.19 2.76 -0.31 5.97 0.00 -0.06 -0.79 121.76 130.52 1spq s ALA 163 Ca 0.11 -1.18 -0.19 0.00 0.00 0.00 0.00 51.96 50.70 1spq s ALA 163 Cb -0.14 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 1spq s ALA 163 CO 0.06 -0.43 0.58 -0.47 0.00 0.00 0.00 175.76 175.49 1spq s TYR 164 N 1.46 3.21 -0.28 0.00 5.04 -0.58 -1.36 117.35 124.82 1spq s TYR 164 Ca 0.06 0.46 -0.08 0.00 -2.44 0.00 0.00 57.07 55.07 1spq s TYR 164 Cb -0.14 -2.94 -0.01 0.00 0.35 0.00 0.00 41.96 39.22 1spq s TYR 164 CO -0.04 -0.47 0.09 -1.21 -1.34 0.00 0.00 175.55 172.58 1spq s GLU 165 N 2.51 3.33 -1.04 4.97 2.02 0.20 -0.35 118.70 130.35 1spq s GLU 165 Ca 0.23 -0.70 -0.23 0.00 0.02 0.00 0.00 54.97 54.29 1spq s GLU 165 Cb -0.15 -3.40 0.05 0.00 0.10 0.00 0.00 34.13 30.73 1spq s GLU 165 CO 0.12 -0.35 1.46 -1.25 0.02 0.00 0.00 175.26 175.26 1spq s PRO 166 N 1.56 3.62 0.36 0.39 0.04 -1.26 -3.77 135.00 135.94 1spq s PRO 166 Ca 0.04 -1.20 0.04 0.00 0.04 0.00 0.00 61.00 59.93 1spq s PRO 166 Cb -0.16 -5.36 0.69 0.00 0.04 0.00 0.00 34.50 29.71 1spq s PRO 166 CO 0.04 -2.20 2.00 0.28 0.04 0.00 0.00 177.00 177.15 1spq h VAL 167 N 6.69 1.10 -0.98 -0.36 2.07 -1.87 -3.04 116.25 119.87 1spq h VAL 167 Ca 0.22 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.57 1spq h VAL 167 Cb 1.00 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 1spq h VAL 167 CO 1.42 0.15 0.62 4.11 0.02 0.00 0.00 177.57 183.89 1spq h TRP 168 N 0.80 1.10 0.00 1.57 5.08 -1.77 -1.97 115.95 120.76 1spq h TRP 168 Ca 0.26 0.03 -0.11 0.00 1.08 0.00 0.00 58.89 60.15 1spq h TRP 168 Cb 0.04 -0.35 -0.02 0.00 -3.00 0.00 0.00 29.16 25.83 1spq h TRP 168 CO -0.00 0.48 -0.52 0.00 -1.28 0.00 0.00 178.44 177.12 1spq h ALA 169 N 1.53 0.67 -2.56 0.11 0.00 -1.83 -3.44 119.26 113.75 1spq h ALA 169 Ca 0.47 -0.46 -0.60 0.00 0.00 0.00 0.00 54.91 54.32 1spq h ALA 169 Cb 0.42 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 17.73 1spq h ALA 169 CO -0.23 0.63 -0.72 -0.89 0.00 0.00 0.00 179.25 178.05 1spq n ILE 170 N -3.22 1.06 -3.34 0.00 -0.00 -0.74 -3.56 119.36 109.56 1spq n ILE 170 Ca 0.02 -4.61 -0.43 0.00 -0.00 0.00 0.00 62.75 57.72 1spq n ILE 170 Cb 0.74 -2.04 -0.01 0.00 -0.00 0.00 0.00 39.64 38.33 1spq n ILE 170 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1spq n GLY 173 N 1.71 4.32 3.49 7.39 0.00 -1.26 -5.01 105.19 115.84 1spq n GLY 173 Ca 0.25 -2.60 -0.23 0.00 0.00 0.00 0.00 46.02 43.43 1spq n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1spq s LYS 174 N -1.49 1.73 0.02 1.61 1.02 -1.23 -5.17 119.74 116.23 1spq s LYS 174 Ca 0.31 -1.96 0.08 0.00 0.02 0.00 0.00 55.97 54.41 1spq s LYS 174 Cb -0.08 -1.08 -0.02 0.00 -0.52 0.00 0.00 37.83 36.13 1spq s LYS 174 CO -0.06 -0.14 -0.23 0.95 -0.92 0.00 0.00 175.35 174.94 1spq s THR 175 N -3.13 1.88 -0.15 2.17 -4.23 -1.26 -4.78 115.64 106.14 1spq s THR 175 Ca 0.36 -1.20 -0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1spq s THR 175 Cb 0.09 -1.60 -0.01 0.00 1.34 0.00 0.00 72.50 72.32 1spq s THR 175 CO 0.16 0.36 -0.12 -0.75 -0.54 0.00 0.00 174.62 173.73 1spq s LYS 176 N -1.00 3.37 0.45 3.99 2.36 -1.26 -5.03 119.74 122.62 1spq s LYS 176 Ca 0.09 -0.68 -0.05 0.00 -2.55 0.00 0.00 55.97 52.78 1spq s LYS 176 Cb -0.09 -2.70 -0.04 0.00 -1.05 0.00 0.00 37.83 33.95 1spq s LYS 176 CO 0.01 0.12 0.75 0.95 1.55 0.00 0.00 175.35 178.73 1spq s THR 177 N 0.58 4.92 0.42 3.43 -4.23 -1.26 -4.98 115.64 114.52 1spq s THR 177 Ca -0.07 0.20 0.09 0.00 -1.18 0.00 0.00 61.69 60.73 1spq s THR 177 Cb -0.15 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 70.08 1spq s THR 177 CO 0.03 -0.74 2.02 -0.65 -0.54 0.00 0.00 174.62 174.74 1spq h PRO 178 N 0.52 0.35 -0.40 3.99 0.11 -1.98 -2.26 132.00 132.33 1spq h PRO 178 Ca -0.47 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 1spq h PRO 178 Cb 1.20 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1spq h PRO 178 CO 0.62 0.31 -0.24 0.37 -0.21 0.00 0.00 178.00 178.85 1spq h GLN 179 N 0.35 0.82 -0.52 1.05 4.15 -1.96 -2.17 115.11 116.82 1spq h GLN 179 Ca 0.09 -0.34 -0.07 0.00 0.77 0.00 0.00 58.65 59.09 1spq h GLN 179 Cb 0.11 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1spq h GLN 179 CO -0.01 0.97 0.03 1.96 -1.93 0.00 0.00 178.83 179.86 1spq h GLN 180 N 0.71 0.85 -0.27 1.69 4.20 -1.87 -2.04 115.11 118.39 1spq h GLN 180 Ca 0.09 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1spq h GLN 180 Cb 0.77 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1spq h GLN 180 CO 0.06 0.84 0.02 0.00 -0.67 0.00 0.00 178.83 179.08 1spq h ALA 181 N 1.23 0.35 -0.98 3.87 0.00 -1.28 -3.07 119.26 119.38 1spq h ALA 181 Ca 0.16 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1spq h ALA 181 Cb 0.44 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1spq h ALA 181 CO 0.02 0.06 0.63 0.37 0.00 0.00 0.00 179.25 180.33 1spq h GLN 182 N 0.25 1.10 -0.66 0.00 5.75 -1.22 -1.90 115.11 118.43 1spq h GLN 182 Ca 0.08 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1spq h GLN 182 Cb 0.37 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1spq h GLN 182 CO 0.01 0.73 0.31 0.93 -2.65 0.00 0.00 178.83 178.15 1spq h GLU 183 N 1.13 0.96 -0.29 1.69 5.08 -1.29 -1.35 114.58 120.50 1spq h GLU 183 Ca 0.43 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1spq h GLU 183 Cb 0.20 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1spq h GLU 183 CO -0.17 0.77 -0.28 0.28 -1.00 0.00 0.00 179.01 178.60 1spq h VAL 184 N 0.92 1.30 -0.81 3.13 2.07 -1.41 -3.01 116.25 118.44 1spq h VAL 184 Ca 0.22 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1spq h VAL 184 Cb 0.14 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1spq h VAL 184 CO -0.03 0.46 0.46 0.45 0.02 0.00 0.00 177.57 178.94 1spq h HIS 185 N 0.45 1.09 -0.45 1.57 3.86 -1.17 -1.90 115.15 118.61 1spq h HIS 185 Ca 0.05 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1spq h HIS 185 Cb 0.85 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 1spq h HIS 185 CO 0.07 0.75 -0.02 1.49 0.86 0.00 0.00 177.93 181.09 1spq h GLU 186 N 1.12 0.74 -0.24 2.45 4.81 -1.28 -2.18 114.58 120.01 1spq h GLU 186 Ca 0.29 -0.20 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 1spq h GLU 186 Cb 0.01 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1spq h GLU 186 CO -0.05 0.77 -0.55 0.87 -0.73 0.00 0.00 179.01 179.32 1spq h LYS 187 N 0.70 0.79 -0.93 1.92 1.57 -1.36 -2.50 116.57 116.75 1spq h LYS 187 Ca 0.14 -0.53 0.01 0.00 -1.87 0.00 0.00 60.65 58.39 1spq h LYS 187 Cb 0.45 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1spq h LYS 187 CO 0.02 1.16 0.62 -0.07 -0.57 0.00 0.00 179.45 180.61 1spq h LEU 188 N 0.54 1.07 -0.55 2.94 3.38 -1.19 -1.22 115.31 120.28 1spq h LEU 188 Ca -0.00 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1spq h LEU 188 Cb 1.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1spq h LEU 188 CO 0.12 0.77 -0.33 -0.09 0.09 0.00 0.00 178.44 179.00 1spq h ARG 189 N 1.26 0.81 -0.64 1.13 2.43 -1.34 -2.41 114.38 115.63 1spq h ARG 189 Ca 0.34 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1spq h ARG 189 Cb -0.13 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1spq h ARG 189 CO -0.08 1.02 0.33 0.78 -1.51 0.00 0.00 179.97 180.51 1spq h GLY 190 N 0.91 0.95 0.99 2.80 0.00 -1.00 -1.92 103.07 105.79 1spq h GLY 190 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1spq h GLY 190 CO 0.08 0.41 0.21 -0.25 0.00 0.00 0.00 176.54 176.99 1spq h TRP 191 N 0.89 0.43 -0.47 5.60 7.01 -1.04 -3.19 115.95 125.18 1spq h TRP 191 Ca 0.22 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.19 1spq h TRP 191 Cb 0.06 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1spq h TRP 191 CO 0.01 0.30 0.15 -0.07 -2.79 0.00 0.00 178.44 176.03 1spq h LEU 192 N 0.44 0.69 -0.85 0.65 3.38 -1.01 -1.81 115.31 116.79 1spq h LEU 192 Ca 0.12 -0.21 0.22 0.00 0.09 0.00 0.00 57.88 58.10 1spq h LEU 192 Cb -0.02 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 40.42 1spq h LEU 192 CO -0.02 0.71 0.22 0.50 0.09 0.00 0.00 178.44 179.94 1spq h LYS 193 N 0.63 0.22 0.05 1.13 3.64 -1.35 -0.79 116.57 120.10 1spq h LYS 193 Ca 0.15 -0.01 -0.37 0.00 -1.27 0.00 0.00 60.65 59.15 1spq h LYS 193 Cb 0.27 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 1spq h LYS 193 CO -0.00 0.14 -2.22 0.43 -2.27 0.00 0.00 179.45 175.53 1spq n SER 194 N -5.21 1.68 0.13 4.20 7.64 -1.16 -2.72 113.62 118.17 1spq n SER 194 Ca 0.20 0.06 0.13 0.00 1.01 0.00 0.00 58.87 60.26 1spq n SER 194 Cb 0.63 -0.37 0.29 0.00 -1.01 0.00 0.00 64.21 63.76 1spq n SER 194 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1spq h HIS 195 N 0.03 0.00 0.00 1.43 3.86 -1.30 -3.43 115.15 115.73 1spq h HIS 195 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1spq h HIS 195 Cb 2.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.47 1spq h HIS 195 CO 0.04 0.00 0.00 0.28 0.86 0.00 0.00 177.93 179.11 1spq n VAL 196 N -2.48 0.00 -3.62 2.45 0.31 -0.33 -5.05 118.33 109.60 1spq n VAL 196 Ca 0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.33 1spq n VAL 196 Cb 0.46 -0.35 -0.01 0.00 -0.91 0.00 0.00 33.84 33.02 1spq n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1spq s SER 197 N 1.00 -0.20 0.19 4.52 1.04 -1.04 -5.01 113.70 114.20 1spq s SER 197 Ca 0.00 -0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.17 1spq s SER 197 Cb 0.00 0.32 0.20 0.00 0.10 0.00 0.00 66.02 66.64 1spq s SER 197 CO 0.00 -0.56 1.75 0.44 0.98 0.00 0.00 173.24 175.85 1spq h ASP 198 N 2.00 0.22 -0.64 7.02 3.32 -1.85 -2.41 116.42 124.08 1spq h ASP 198 Ca -0.22 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 1spq h ASP 198 Cb 1.22 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 1spq h ASP 198 CO 0.27 0.15 0.20 0.00 -1.72 0.00 0.00 179.24 178.14 1spq h ALA 199 N 1.35 1.10 -0.21 3.45 0.00 -1.96 -2.50 119.26 120.50 1spq h ALA 199 Ca 0.26 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1spq h ALA 199 Cb 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1spq h ALA 199 CO -0.25 0.61 -0.67 0.28 0.00 0.00 0.00 179.25 179.22 1spq h VAL 200 N 0.99 1.28 -0.65 0.00 2.07 -1.89 -2.40 116.25 115.64 1spq h VAL 200 Ca 0.22 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 1spq h VAL 200 Cb 0.29 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1spq h VAL 200 CO -0.01 0.60 0.36 0.00 0.02 0.00 0.00 177.57 178.54 1spq h ALA 201 N 0.65 0.83 0.00 1.67 0.00 -1.36 -1.28 119.26 119.78 1spq h ALA 201 Ca -0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1spq h ALA 201 Cb 1.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1spq h ALA 201 CO 0.14 0.35 -0.43 0.37 0.00 0.00 0.00 179.25 179.68 1spq h GLN 202 N 0.89 0.00 0.00 0.00 -0.00 -1.43 -3.31 115.11 111.26 1spq h GLN 202 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.88 1spq h GLN 202 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.52 1spq h GLN 202 CO -0.04 0.43 -0.94 -1.13 0.00 0.00 0.00 178.83 177.15 1spq n SER 203 N -3.76 0.83 -4.72 -0.69 3.41 -0.91 -4.77 113.62 103.01 1spq n SER 203 Ca -0.01 -0.79 -0.39 0.00 -0.26 0.00 0.00 58.87 57.42 1spq n SER 203 Cb 0.50 1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 65.50 1spq n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1spq s THR 204 N -2.71 5.10 0.03 6.66 2.01 -0.51 -4.89 115.64 121.34 1spq s THR 204 Ca 0.05 1.28 -0.30 0.00 0.31 0.00 0.00 61.69 63.02 1spq s THR 204 Cb 0.13 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1spq s THR 204 CO 0.71 0.28 1.08 -0.13 -0.69 0.00 0.00 174.62 175.87 1spq s ARG 205 N 0.74 4.50 -0.24 4.92 3.00 -1.26 -4.99 118.95 125.62 1spq s ARG 205 Ca 0.34 1.59 0.02 0.00 0.00 0.00 0.00 55.73 57.68 1spq s ARG 205 Cb -0.17 -3.40 0.05 0.00 0.00 0.00 0.00 34.95 31.43 1spq s ARG 205 CO 0.15 -0.15 -0.13 0.42 0.00 0.00 0.00 175.30 175.59 1spq s ILE 206 N 1.02 2.13 0.14 1.52 1.01 -1.26 -2.29 121.20 123.47 1spq s ILE 206 Ca 0.55 -1.43 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1spq s ILE 206 Cb -0.25 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1spq s ILE 206 CO 0.29 0.13 0.06 0.27 0.00 0.00 0.00 174.94 175.69 1spq s ILE 207 N 1.16 4.13 -0.19 2.92 -4.36 0.03 -1.53 121.20 123.36 1spq s ILE 207 Ca -0.05 -1.15 -0.12 0.00 -0.26 0.00 0.00 60.65 59.07 1spq s ILE 207 Cb -0.18 -3.06 -0.05 0.00 1.25 0.00 0.00 42.46 40.42 1spq s ILE 207 CO -0.07 -0.04 0.23 -0.47 0.24 0.00 0.00 174.94 174.82 1spq s TYR 208 N -1.62 3.41 -0.16 1.37 5.04 -0.43 -1.53 117.35 123.43 1spq s TYR 208 Ca 0.28 0.45 0.11 0.00 -2.44 0.00 0.00 57.07 55.47 1spq s TYR 208 Cb -0.10 -2.28 0.21 0.00 0.35 0.00 0.00 41.96 40.13 1spq s TYR 208 CO 0.21 0.21 1.13 0.41 -1.34 0.00 0.00 175.55 176.17 1spq n GLY 209 N 3.62 3.87 0.00 8.97 0.00 0.53 -1.83 105.19 120.35 1spq n GLY 209 Ca -0.13 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1spq n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1spq n GLY 210 N -0.79 -1.69 3.61 -0.02 0.00 -1.25 -4.67 105.19 100.38 1spq n GLY 210 Ca 0.10 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 1spq n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1spq s SER 211 N -1.32 6.09 -0.17 1.61 0.15 -1.26 -4.79 113.70 114.01 1spq s SER 211 Ca 0.00 1.30 -0.00 0.00 0.70 0.00 0.00 55.95 57.94 1spq s SER 211 Cb 0.00 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1spq s SER 211 CO 0.00 -1.55 -0.14 -0.69 1.20 0.00 0.00 173.24 172.06 1spq s VAL 212 N 6.23 2.72 0.38 4.45 1.01 -1.26 -5.01 120.40 128.90 1spq s VAL 212 Ca 0.75 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1spq s VAL 212 Cb -0.22 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1spq s VAL 212 CO 0.33 0.50 0.07 0.42 0.00 0.00 0.00 175.10 176.42 1spq s THR 213 N 0.97 1.04 0.49 3.92 -4.23 -1.26 -4.62 115.64 111.94 1spq s THR 213 Ca -0.02 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.77 1spq s THR 213 Cb -0.15 -2.60 0.32 0.00 1.34 0.00 0.00 72.50 71.41 1spq s THR 213 CO -0.02 0.00 2.15 1.23 -0.54 0.00 0.00 174.62 177.43 1spq h GLY 214 N 1.91 0.00 1.95 3.99 0.00 -1.97 -2.73 103.07 106.23 1spq h GLY 214 Ca -0.39 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.74 1spq h GLY 214 CO 0.67 0.00 -0.92 -1.33 0.00 0.00 0.00 176.54 174.96 1spq h GLY 215 N 0.50 0.04 -0.87 4.60 0.00 -1.97 -3.37 103.07 101.99 1spq h GLY 215 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1spq h GLY 215 CO 0.01 0.08 -0.08 1.16 0.00 0.00 0.00 176.54 177.71 1spq n ASN 216 N -3.50 1.84 0.07 0.19 0.23 -1.14 -4.73 115.26 108.22 1spq n ASN 216 Ca -0.01 -1.42 -0.04 0.00 -0.53 0.00 0.00 54.58 52.58 1spq n ASN 216 Cb 0.86 0.15 0.16 0.00 -2.08 0.00 0.00 39.78 38.87 1spq n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1spq h LYS 218 N 0.25 0.92 -0.32 0.00 1.57 -1.85 -1.53 116.57 115.61 1spq h LYS 218 Ca 0.01 -0.38 -0.17 0.00 -1.87 0.00 0.00 60.65 58.25 1spq h LYS 218 Cb 0.94 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 1spq h LYS 218 CO 0.08 1.03 -0.47 1.49 -0.57 0.00 0.00 179.45 181.01 1spq h GLU 219 N 0.76 0.88 -0.81 3.15 4.81 -1.91 -3.02 114.58 118.44 1spq h GLU 219 Ca 0.11 -0.52 0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1spq h GLU 219 Cb 0.72 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 1spq h GLU 219 CO 0.06 1.16 0.53 -0.07 -0.73 0.00 0.00 179.01 179.95 1spq h LEU 220 N 0.67 0.89 -0.83 1.64 3.38 -1.48 -2.95 115.31 116.63 1spq h LEU 220 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1spq h LEU 220 Cb 1.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1spq h LEU 220 CO 0.11 0.62 0.00 0.00 0.09 0.00 0.00 178.44 179.26 1spq h ALA 221 N 1.32 1.00 0.00 1.53 0.00 -1.27 -3.00 119.26 118.84 1spq h ALA 221 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1spq h ALA 221 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1spq h ALA 221 CO -0.09 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.03 1spq n SER 222 N -2.72 0.00 -4.77 0.00 3.41 -1.11 -4.89 113.62 103.54 1spq n SER 222 Ca 0.02 0.12 -0.38 0.00 -0.26 0.00 0.00 58.87 58.38 1spq n SER 222 Cb 0.33 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1spq n SER 222 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1spq s GLN 223 N -2.75 4.12 0.49 4.33 -1.52 -1.14 -4.93 119.66 118.27 1spq s GLN 223 Ca 0.22 1.75 0.23 0.00 -1.95 0.00 0.00 55.36 55.61 1spq s GLN 223 Cb 0.19 -2.67 1.29 0.00 -0.22 0.00 0.00 33.01 31.60 1spq s GLN 223 CO 0.48 -0.24 2.04 0.45 -0.25 0.00 0.00 175.29 177.77 1spq h HIS 224 N 2.68 0.00 -0.05 0.91 3.86 -1.92 -3.12 115.15 117.51 1spq h HIS 224 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1spq h HIS 224 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1spq h HIS 224 CO 0.56 0.15 0.00 -0.25 0.86 0.00 0.00 177.93 179.25 1spq n ASP 225 N -3.87 2.01 -4.61 2.45 8.00 -1.26 -4.96 116.55 114.31 1spq n ASP 225 Ca -0.02 -1.86 -0.39 0.00 0.71 0.00 0.00 54.79 53.23 1spq n ASP 225 Cb 0.25 -0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.22 1spq n ASP 225 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1spq s VAL 226 N -0.87 5.15 -1.17 2.53 1.01 -1.18 -4.72 120.40 121.15 1spq s VAL 226 Ca 0.04 0.65 0.16 0.00 0.00 0.00 0.00 61.98 62.83 1spq s VAL 226 Cb 0.02 -3.73 0.51 0.00 0.00 0.00 0.00 36.38 33.18 1spq s VAL 226 CO 0.03 0.14 1.43 0.47 0.00 0.00 0.00 175.10 177.16 1spq n ASP 227 N 5.37 3.68 0.00 3.32 8.00 -0.58 -4.78 116.55 131.55 1spq n ASP 227 Ca -0.07 -2.19 0.00 0.00 0.71 0.00 0.00 54.79 53.23 1spq n ASP 227 Cb 0.50 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1spq n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1spq n GLY 228 N 0.84 0.93 3.15 0.44 0.00 -1.26 -1.81 105.19 107.49 1spq n GLY 228 Ca 0.19 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 1spq n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1spq s PHE 229 N -3.11 0.03 -0.33 1.61 0.08 -0.47 -1.32 117.98 114.47 1spq s PHE 229 Ca 0.00 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 1spq s PHE 229 Cb 0.00 -0.03 0.05 0.00 -0.57 0.00 0.00 43.02 42.47 1spq s PHE 229 CO 0.00 -0.35 0.07 -1.17 -0.10 0.00 0.00 175.22 173.67 1spq s LEU 230 N -1.63 4.23 -0.05 -0.37 2.96 -0.76 -1.15 118.68 121.91 1spq s LEU 230 Ca -0.11 -1.27 -0.14 0.00 -0.22 0.00 0.00 54.13 52.38 1spq s LEU 230 Cb -0.05 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1spq s LEU 230 CO 0.00 -0.32 0.37 -0.69 -1.32 0.00 0.00 176.35 174.39 1spq s VAL 231 N 1.32 5.14 0.00 1.68 1.01 -0.21 -4.42 120.40 124.93 1spq s VAL 231 Ca -0.02 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1spq s VAL 231 Cb -0.20 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1spq s VAL 231 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1spq n GLY 232 N 2.28 0.75 0.36 4.51 0.00 -1.26 -0.65 105.19 111.19 1spq n GLY 232 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1spq n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1spq h GLY 233 N 0.00 0.47 2.00 -0.02 0.00 -1.92 -1.62 103.07 101.98 1spq h GLY 233 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1spq h GLY 233 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.61 1spq n ALA 234 N -2.55 1.79 0.30 3.60 0.00 -1.26 -2.66 120.51 119.74 1spq n ALA 234 Ca 0.11 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1spq n ALA 234 Cb 0.45 -1.38 0.56 0.00 0.00 0.00 0.00 19.45 19.08 1spq n ALA 234 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1spq h SER 235 N 0.00 0.00 -0.00 0.00 4.64 -1.53 -2.80 113.55 113.85 1spq h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1spq h SER 235 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1spq h SER 235 CO 0.00 0.00 -0.05 0.18 -0.87 0.00 0.00 176.83 176.09 1spq n LEU 236 N -2.31 2.14 -4.56 5.97 4.77 -1.09 -4.92 117.00 116.99 1spq n LEU 236 Ca 0.01 -0.71 -0.25 0.00 -0.03 0.00 0.00 56.01 55.02 1spq n LEU 236 Cb 0.16 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1spq n LEU 236 CO 0.16 0.36 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.67 1spq s LYS 237 N -2.07 1.92 0.63 3.23 1.02 -1.06 -5.01 119.74 118.39 1spq s LYS 237 Ca 0.31 -1.78 0.39 0.00 0.02 0.00 0.00 55.97 54.91 1spq s LYS 237 Cb 0.20 -1.84 2.14 0.00 -0.52 0.00 0.00 37.83 37.81 1spq s LYS 237 CO 0.35 0.21 2.30 -1.00 -0.92 0.00 0.00 175.35 176.29 1spq h PRO 238 N 2.00 0.00 0.00 -1.68 0.13 -1.93 -2.78 132.00 127.74 1spq h PRO 238 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1spq h PRO 238 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1spq h PRO 238 CO 0.66 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.58 1spq n GLU 239 N -3.33 0.06 -0.25 0.86 0.28 -1.26 -2.67 120.64 114.32 1spq n GLU 239 Ca -0.03 0.30 0.18 0.00 -0.16 0.00 0.00 57.16 57.45 1spq n GLU 239 Cb 0.10 -1.62 0.48 0.00 1.43 0.00 0.00 31.44 31.83 1spq n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1spq h PHE 240 N 0.00 0.62 -0.40 -1.84 3.57 -1.54 -2.01 116.94 115.34 1spq h PHE 240 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1spq h PHE 240 Cb 0.29 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1spq h PHE 240 CO 0.00 0.17 0.25 0.28 -2.23 0.00 0.00 178.31 176.79 1spq h VAL 241 N 0.47 1.08 -0.51 1.41 2.07 -1.77 -2.38 116.25 116.62 1spq h VAL 241 Ca 0.47 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 1spq h VAL 241 Cb 1.08 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1spq h VAL 241 CO -0.20 0.09 0.30 0.44 0.02 0.00 0.00 177.57 178.23 1spq h ASP 242 N 0.52 0.61 -0.44 0.57 3.32 -1.58 -2.79 116.42 116.63 1spq h ASP 242 Ca 0.15 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1spq h ASP 242 Cb -0.04 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1spq h ASP 242 CO -0.05 0.48 -0.17 0.40 -1.72 0.00 0.00 179.24 178.18 1spq h ILE 243 N 0.71 1.27 -0.84 0.35 2.04 -1.15 -2.54 117.51 117.35 1spq h ILE 243 Ca 0.18 -1.32 0.11 0.00 1.00 0.00 0.00 64.86 64.84 1spq h ILE 243 Cb -0.01 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1spq h ILE 243 CO -0.03 0.45 0.54 0.40 0.00 0.00 0.00 178.15 179.51 1spq h ILE 244 N 0.73 0.91 -0.80 -0.67 2.04 -1.25 -2.59 117.51 115.88 1spq h ILE 244 Ca 0.10 -0.25 -0.42 0.00 1.00 0.00 0.00 64.86 65.29 1spq h ILE 244 Cb 0.74 0.12 -0.25 0.00 -0.74 0.00 0.00 36.82 36.68 1spq h ILE 244 CO 0.06 0.13 0.54 0.59 0.00 0.00 0.00 178.15 179.47 1spq n ASN 245 N -4.52 3.85 0.27 1.72 3.02 -0.97 -4.72 115.26 113.91 1spq n ASN 245 Ca 0.15 -3.30 0.13 0.00 -0.03 0.00 0.00 54.58 51.52 1spq n ASN 245 Cb 0.37 -0.79 0.78 0.00 -0.61 0.00 0.00 39.78 39.54 1spq n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1spq h ALA 246 N 1.24 1.42 -0.17 5.41 0.00 -1.34 -2.21 119.26 123.61 1spq h ALA 246 Ca 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1spq h ALA 246 Cb 2.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1spq h ALA 246 CO 0.91 0.10 0.00 1.63 0.00 0.00 0.00 179.25 181.89 1spq n LYS 247 N -3.78 1.66 0.00 0.00 5.02 -1.26 -4.45 118.16 115.35 1spq n LYS 247 Ca -0.02 -0.99 0.08 0.00 -2.02 0.00 0.00 58.31 55.35 1spq n LYS 247 Cb 0.17 -1.36 0.07 0.00 -0.02 0.00 0.00 35.03 33.89 1spq n LYS 247 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60