#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spq s PRO 3 N 0.00 2.17 -0.14 0.00 0.04 -1.26 -4.92 135.00 130.89 1spq s PRO 3 Ca 0.00 0.70 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 1spq s PRO 3 Cb 0.00 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1spq s PRO 3 CO 0.00 -1.57 1.05 1.03 0.04 0.00 0.00 177.00 177.55 1spq s ARG 4 N -5.13 4.36 0.08 4.56 0.52 -1.26 -5.00 118.95 117.08 1spq s ARG 4 Ca 0.60 1.43 -0.31 0.00 -0.52 0.00 0.00 55.73 56.94 1spq s ARG 4 Cb -0.15 -3.58 -0.07 0.00 0.52 0.00 0.00 34.95 31.67 1spq s ARG 4 CO 0.54 -0.44 1.34 0.21 0.02 0.00 0.00 175.30 176.97 1spq s LYS 5 N 2.46 4.35 0.30 3.54 2.20 -1.26 -4.99 119.74 126.34 1spq s LYS 5 Ca 0.48 1.97 -0.30 0.00 -0.36 0.00 0.00 55.97 57.77 1spq s LYS 5 Cb -0.18 -3.32 -0.11 0.00 -1.51 0.00 0.00 37.83 32.70 1spq s LYS 5 CO 0.15 -0.41 1.59 0.12 -0.36 0.00 0.00 175.35 176.45 1spq s PHE 6 N 1.28 2.72 -0.08 4.03 5.36 -1.25 -4.90 117.98 125.14 1spq s PHE 6 Ca 0.63 0.80 -0.00 0.00 -0.96 0.00 0.00 56.93 57.40 1spq s PHE 6 Cb -0.34 -4.08 0.02 0.00 -0.34 0.00 0.00 43.02 38.28 1spq s PHE 6 CO 0.29 -3.60 -0.04 0.12 -1.46 0.00 0.00 175.22 170.53 1spq s PHE 7 N -0.11 0.97 -0.20 10.12 2.19 -0.62 -1.48 117.98 128.85 1spq s PHE 7 Ca 0.63 -0.36 0.00 0.00 0.33 0.00 0.00 56.93 57.52 1spq s PHE 7 Cb -0.48 -0.91 0.05 0.00 -1.31 0.00 0.00 43.02 40.37 1spq s PHE 7 CO 0.50 -0.34 -0.06 0.08 1.83 0.00 0.00 175.22 177.22 1spq s VAL 8 N 1.55 1.33 0.03 3.12 1.01 -0.53 -1.50 120.40 125.41 1spq s VAL 8 Ca -0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1spq s VAL 8 Cb -0.13 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1spq s VAL 8 CO -0.04 0.05 0.18 -0.83 0.00 0.00 0.00 175.10 174.46 1spq s GLY 9 N 1.52 2.17 -0.23 4.51 0.00 -0.44 -1.95 107.32 112.89 1spq s GLY 9 Ca -0.02 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.90 1spq s GLY 9 CO -0.07 -0.75 -0.12 -0.32 0.00 0.00 0.00 173.10 171.83 1spq s GLY 10 N -2.22 1.50 -0.53 0.20 0.00 -0.09 -0.97 107.32 105.22 1spq s GLY 10 Ca 0.31 -1.52 -0.18 0.00 0.00 0.00 0.00 44.72 43.32 1spq s GLY 10 CO 0.23 0.58 0.61 0.21 0.00 0.00 0.00 173.10 174.73 1spq s ASN 11 N 1.22 6.20 0.37 1.64 2.47 0.19 -0.17 114.94 126.86 1spq s ASN 11 Ca -0.04 -1.17 0.27 0.00 0.42 0.00 0.00 52.86 52.34 1spq s ASN 11 Cb -0.18 -2.27 1.02 0.00 -1.45 0.00 0.00 41.25 38.37 1spq s ASN 11 CO -0.07 -0.92 1.80 -0.50 -3.72 0.00 0.00 177.10 173.70 1spq h TRP 12 N 9.01 0.00 -0.04 0.43 6.55 -1.68 -3.41 115.95 126.80 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 1.10 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.40 1spq h TRP 12 CO 0.76 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 179.78 1spq n LYS 13 N -2.63 0.00 -2.44 0.49 5.02 -1.26 -3.59 118.16 113.75 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 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 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 0.00 3.60 -3.93 1.97 1.56 -1.26 -4.44 117.12 114.62 1spq n MET 14 Ca 0.00 -3.59 -0.10 0.00 -0.27 0.00 0.00 57.70 53.74 1spq n MET 14 Cb 0.00 -2.94 -0.11 0.00 2.15 0.00 0.00 33.22 32.33 1spq n MET 14 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1spq s ASN 15 N 1.13 0.15 0.00 6.12 0.01 -1.24 -5.15 114.94 115.96 1spq s ASN 15 Ca 0.40 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 1spq s ASN 15 Cb 0.08 0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.88 1spq s ASN 15 CO 0.01 -0.32 0.00 0.61 -1.51 0.00 0.00 177.10 175.88 1spq n GLY 16 N 1.57 2.72 3.56 0.66 0.00 -1.26 -4.84 105.19 107.59 1spq n GLY 16 Ca -0.23 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.68 1spq n GLY 16 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1spq s ASP 17 N 0.00 3.09 0.26 1.61 1.47 -1.26 -4.99 116.67 116.85 1spq s ASP 17 Ca 0.00 -1.74 -0.04 0.00 1.18 0.00 0.00 52.55 51.95 1spq s ASP 17 Cb 0.00 0.64 0.38 0.00 -0.34 0.00 0.00 42.92 43.60 1spq s ASP 17 CO 0.00 -1.00 1.87 0.11 0.68 0.00 0.00 175.17 176.83 1spq h LYS 18 N 1.65 1.04 0.16 2.11 1.57 -2.00 -0.41 116.57 120.69 1spq h LYS 18 Ca -0.35 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1spq h LYS 18 Cb 1.28 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1spq h LYS 18 CO 0.56 0.69 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.83 1spq h LYS 19 N 1.07 -0.21 -0.42 3.15 3.64 -1.99 -1.49 116.57 120.33 1spq h LYS 19 Ca 0.41 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.67 1spq h LYS 19 Cb 0.18 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1spq h LYS 19 CO -0.18 0.06 -0.27 0.66 -2.27 0.00 0.00 179.45 177.46 1spq h SER 20 N -0.48 0.91 0.43 4.20 4.64 -1.93 -2.64 113.55 118.69 1spq h SER 20 Ca -0.02 -0.36 -0.17 0.00 -0.47 0.00 0.00 61.79 60.76 1spq h SER 20 Cb 0.37 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1spq h SER 20 CO 0.04 1.12 -0.73 -0.07 -0.87 0.00 0.00 176.83 176.32 1spq h LEU 21 N 0.75 0.29 -1.00 5.97 3.38 -1.13 -2.43 115.31 121.15 1spq h LEU 21 Ca 0.09 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1spq h LEU 21 Cb 0.83 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1spq h LEU 21 CO 0.07 0.92 0.06 1.23 0.09 0.00 0.00 178.44 180.82 1spq h GLY 22 N 1.59 0.84 0.96 0.83 0.00 -1.24 -1.62 103.07 104.43 1spq h GLY 22 Ca -0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1spq h GLY 22 CO 0.11 0.48 0.08 0.83 0.00 0.00 0.00 176.54 178.05 1spq h GLU 23 N 0.75 0.73 -0.73 4.80 5.08 -1.31 -2.16 114.58 121.73 1spq h GLU 23 Ca 0.16 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1spq h GLU 23 Cb 0.36 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1spq h GLU 23 CO 0.01 0.75 0.48 1.25 -1.00 0.00 0.00 179.01 180.50 1spq h LEU 24 N 0.59 0.83 -0.41 1.33 6.46 -1.22 -2.91 115.31 119.98 1spq h LEU 24 Ca 0.14 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.77 1spq h LEU 24 Cb 0.36 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1spq h LEU 24 CO 0.01 0.59 -0.16 0.40 -0.62 0.00 0.00 178.44 178.66 1spq h ILE 25 N 0.98 1.28 -0.62 4.05 2.04 -1.26 -2.80 117.51 121.17 1spq h ILE 25 Ca 0.27 -1.29 0.11 0.00 1.00 0.00 0.00 64.86 64.95 1spq h ILE 25 Cb -0.09 1.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 1spq h ILE 25 CO -0.07 0.43 0.21 -0.74 0.00 0.00 0.00 178.15 177.99 1spq h HIS 26 N 0.66 0.35 -0.65 1.37 2.76 -1.30 -1.70 115.15 116.65 1spq h HIS 26 Ca 0.10 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1spq h HIS 26 Cb 0.71 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.58 1spq h HIS 26 CO 0.05 0.06 0.18 1.15 -1.30 0.00 0.00 177.93 178.08 1spq h THR 27 N 0.37 1.25 -0.38 6.26 2.02 -1.37 -2.82 112.91 118.24 1spq h THR 27 Ca 0.32 -0.89 -0.15 0.00 0.77 0.00 0.00 66.41 66.46 1spq h THR 27 Cb 0.44 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1spq h THR 27 CO -0.35 0.34 -0.36 -0.07 0.37 0.00 0.00 175.52 175.46 1spq h LEU 28 N 0.94 0.96 -1.84 2.58 3.38 -1.21 -2.70 115.31 117.42 1spq h LEU 28 Ca 0.21 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1spq h LEU 28 Cb 0.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1spq h LEU 28 CO -0.00 1.23 0.12 0.78 0.09 0.00 0.00 178.44 180.65 1spq h ASN 29 N 0.72 0.18 0.10 -0.43 2.35 -1.31 -3.10 115.58 114.08 1spq h ASN 29 Ca 0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1spq h ASN 29 Cb 0.95 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1spq h ASN 29 CO 0.09 0.13 -0.53 0.61 -1.65 0.00 0.00 177.43 176.08 1spq n GLY 30 N -1.52 -0.44 3.91 2.83 0.00 -1.07 -4.98 105.19 103.92 1spq n GLY 30 Ca -0.00 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.64 3.39 -0.46 4.61 0.00 -1.03 -5.03 121.76 120.59 1spq s ALA 31 Ca 0.17 -0.57 -0.20 0.00 0.00 0.00 0.00 51.96 51.35 1spq s ALA 31 Cb 0.18 -2.58 0.03 0.00 0.00 0.00 0.00 23.12 20.75 1spq s ALA 31 CO 0.63 -0.48 0.66 0.15 0.00 0.00 0.00 175.76 176.72 1spq s LYS 32 N -4.81 3.24 -0.11 0.00 -0.14 -1.26 -5.04 119.74 111.62 1spq s LYS 32 Ca 0.49 -0.51 -0.00 0.00 -1.36 0.00 0.00 55.97 54.59 1spq s LYS 32 Cb -0.10 -4.00 -0.02 0.00 -1.68 0.00 0.00 37.83 32.03 1spq s LYS 32 CO 0.45 -1.10 -0.10 -0.51 -0.76 0.00 0.00 175.35 173.32 1spq s LEU 33 N 2.85 2.90 0.16 3.17 1.43 -1.26 -4.98 118.68 122.94 1spq s LEU 33 Ca 0.21 -0.21 -0.34 0.00 -1.03 0.00 0.00 54.13 52.76 1spq s LEU 33 Cb -0.15 -1.65 -0.15 0.00 0.03 0.00 0.00 46.19 44.27 1spq s LEU 33 CO 0.17 0.23 1.40 -0.24 0.23 0.00 0.00 176.35 178.14 1spq n SER 34 N 3.09 2.27 0.25 2.29 2.88 -1.26 -4.88 113.62 118.26 1spq n SER 34 Ca -0.18 1.12 0.17 0.00 -1.33 0.00 0.00 58.87 58.65 1spq n SER 34 Cb 0.53 -1.32 0.76 0.00 -0.75 0.00 0.00 64.21 63.42 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 4.70 1.00 -0.55 -1.46 0.00 -1.99 -2.91 119.26 118.05 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 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1spq h ALA 35 CO 0.79 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.79 1spq n ASP 36 N -2.82 3.40 -4.34 0.00 8.00 -1.26 -4.85 116.55 114.67 1spq n ASP 36 Ca -0.00 -2.14 -0.34 0.00 0.71 0.00 0.00 54.79 53.02 1spq n ASP 36 Cb 0.21 -0.44 -0.14 0.00 -0.02 0.00 0.00 41.12 40.73 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 -1.45 3.24 -0.39 -3.53 2.01 -1.10 -3.97 115.64 110.45 1spq s THR 37 Ca 0.39 -0.56 -0.28 0.00 0.31 0.00 0.00 61.69 61.55 1spq s THR 37 Cb 0.22 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 70.33 1spq s THR 37 CO 0.24 0.47 1.05 -0.70 -0.69 0.00 0.00 174.62 174.99 1spq s GLU 38 N 0.93 3.88 -0.11 4.92 2.12 -0.55 -4.94 118.70 124.96 1spq s GLU 38 Ca -0.01 0.74 -0.03 0.00 0.36 0.00 0.00 54.97 56.03 1spq s GLU 38 Cb -0.15 -3.82 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 1spq s GLU 38 CO 0.00 -1.08 0.02 0.08 -0.54 0.00 0.00 175.26 173.74 1spq s VAL 39 N 3.86 4.41 -0.02 3.70 1.01 -1.26 -1.45 120.40 130.65 1spq s VAL 39 Ca 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1spq s VAL 39 Cb -0.10 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1spq s VAL 39 CO 0.22 0.58 0.02 -0.69 0.00 0.00 0.00 175.10 175.23 1spq s VAL 40 N -0.59 -0.04 -0.18 2.92 1.01 -0.82 -1.32 120.40 121.38 1spq s VAL 40 Ca 0.10 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 1spq s VAL 40 Cb -0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 1spq s VAL 40 CO 0.02 0.07 -0.04 0.00 0.00 0.00 0.00 175.10 175.15 1spq s GLY 42 N 0.77 2.06 0.13 0.00 0.00 0.76 -1.29 107.32 109.75 1spq s GLY 42 Ca -0.02 -2.30 0.01 0.00 0.00 0.00 0.00 44.72 42.41 1spq s GLY 42 CO 0.02 1.11 0.28 0.00 0.00 0.00 0.00 173.10 174.51 1spq s ALA 43 N 1.61 3.97 0.54 3.20 0.00 -1.01 -1.97 121.76 128.09 1spq s ALA 43 Ca 0.04 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 1spq s ALA 43 Cb -0.27 -1.82 -0.06 0.00 0.00 0.00 0.00 23.12 20.97 1spq s ALA 43 CO 0.05 0.61 1.09 -2.30 0.00 0.00 0.00 175.76 175.21 1spq n PRO 44 N -0.32 1.25 -0.31 0.00 -0.02 -1.26 -4.17 135.00 130.17 1spq n PRO 44 Ca -0.06 0.46 0.03 0.00 -2.02 0.00 0.00 63.50 61.91 1spq n PRO 44 Cb 0.53 -2.26 0.22 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.03 0.95 0.57 2.55 4.64 -1.97 -1.12 113.55 120.21 1spq h SER 45 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1spq h SER 45 Cb 1.34 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1spq h SER 45 CO 0.54 0.63 0.00 0.00 -0.87 0.00 0.00 176.83 177.13 1spq n ILE 46 N -4.47 0.87 -0.30 0.95 3.06 -1.26 -2.59 119.36 115.61 1spq n ILE 46 Ca 0.13 0.35 0.04 0.00 -2.50 0.00 0.00 62.75 60.77 1spq n ILE 46 Cb 0.15 -1.30 0.08 0.00 0.54 0.00 0.00 39.64 39.11 1spq n ILE 46 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1spq n TYR 47 N -2.27 0.20 -0.08 9.51 4.01 -0.44 -4.82 117.16 123.26 1spq n TYR 47 Ca 0.01 -0.61 -0.11 0.00 -0.16 0.00 0.00 57.90 57.03 1spq n TYR 47 Cb 0.19 -0.08 -0.04 0.00 -0.31 0.00 0.00 39.34 39.09 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 0.68 0.41 0.13 7.72 3.38 -1.29 -1.89 115.31 124.45 1spq h LEU 48 Ca 0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1spq h LEU 48 Cb 0.72 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1spq h LEU 48 CO 0.02 0.59 -0.08 -0.78 0.09 0.00 0.00 178.44 178.27 1spq h ASP 49 N 0.22 -0.21 -0.75 -0.43 1.82 -1.88 -2.22 116.42 112.98 1spq h ASP 49 Ca 0.07 0.01 0.14 0.00 -0.39 0.00 0.00 57.03 56.87 1spq h ASP 49 Cb 0.36 0.07 -0.10 0.00 0.68 0.00 0.00 39.33 40.34 1spq h ASP 49 CO 0.01 -0.14 0.28 0.15 -1.61 0.00 0.00 179.24 177.93 1spq h PHE 50 N -0.21 0.47 -0.41 0.28 3.57 -1.89 -1.52 116.94 117.22 1spq h PHE 50 Ca -0.01 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1spq h PHE 50 Cb 0.18 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1spq h PHE 50 CO -0.09 0.04 -0.09 0.00 -2.23 0.00 0.00 178.31 175.94 1spq h ALA 51 N 1.55 0.57 -0.53 2.41 0.00 -1.16 -2.55 119.26 119.55 1spq h ALA 51 Ca 0.41 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1spq h ALA 51 Cb 0.64 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1spq h ALA 51 CO -0.42 0.43 -0.10 -0.09 0.00 0.00 0.00 179.25 179.07 1spq h ARG 52 N 0.61 0.98 -0.94 0.00 9.65 -1.13 -0.89 114.38 122.66 1spq h ARG 52 Ca 0.11 -0.35 0.03 0.00 -1.10 0.00 0.00 59.98 58.66 1spq h ARG 52 Cb 0.61 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.07 1spq h ARG 52 CO 0.04 1.02 0.62 1.96 2.80 0.00 0.00 179.97 186.41 1spq h GLN 53 N 0.87 1.18 0.00 0.20 4.20 -1.26 -3.32 115.11 116.98 1spq h GLN 53 Ca 0.14 -0.07 -0.24 0.00 0.06 0.00 0.00 58.65 58.53 1spq h GLN 53 Cb 0.65 -0.27 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1spq h GLN 53 CO 0.04 0.78 -1.80 1.63 -0.67 0.00 0.00 178.83 178.82 1spq n LYS 54 N -4.42 0.64 -2.81 1.46 4.76 -0.97 -4.95 118.16 111.88 1spq n LYS 54 Ca 0.12 0.15 -0.39 0.00 -2.87 0.00 0.00 58.31 55.33 1spq n LYS 54 Cb 0.07 -1.71 -0.06 0.00 -1.84 0.00 0.00 35.03 31.49 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 -5.70 4.51 0.32 -0.35 1.43 -0.35 -4.96 118.68 113.58 1spq s LEU 55 Ca -0.06 1.85 -0.27 0.00 -1.03 0.00 0.00 54.13 54.62 1spq s LEU 55 Cb 0.08 -3.72 -0.13 0.00 0.03 0.00 0.00 46.19 42.45 1spq s LEU 55 CO 0.83 0.08 1.00 -0.67 0.23 0.00 0.00 176.35 177.81 1spq n ASP 56 N 1.12 1.24 0.30 2.29 -0.08 -1.26 -4.90 116.55 115.25 1spq n ASP 56 Ca -0.01 1.14 0.17 0.00 -1.51 0.00 0.00 54.79 54.59 1spq n ASP 56 Cb 0.49 -1.30 0.91 0.00 2.34 0.00 0.00 41.12 43.55 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 1.87 1.17 0.00 -1.67 0.00 -1.95 -1.83 119.26 116.84 1spq h ALA 57 Ca -0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1spq h ALA 57 Cb 1.34 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1spq h ALA 57 CO 0.59 0.05 -0.10 1.57 0.00 0.00 0.00 179.25 181.37 1spq h LYS 58 N 0.00 0.00 -5.49 0.00 2.10 -1.98 -3.42 116.57 107.77 1spq h LYS 58 Ca -0.00 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.06 1spq h LYS 58 Cb 0.22 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.45 1spq h LYS 58 CO 0.01 0.10 -0.33 0.42 -2.00 0.00 0.00 179.45 177.65 1spq s ILE 59 N -3.92 5.31 0.56 0.07 1.01 -0.69 -4.68 121.20 118.86 1spq s ILE 59 Ca -0.01 0.54 -0.10 0.00 0.00 0.00 0.00 60.65 61.07 1spq s ILE 59 Cb 0.11 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1spq s ILE 59 CO 0.57 0.39 0.95 -0.83 0.00 0.00 0.00 174.94 176.02 1spq s GLY 60 N 0.43 1.68 -0.05 6.18 0.00 -0.44 -4.83 107.32 110.29 1spq s GLY 60 Ca 0.16 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1spq s GLY 60 CO 0.04 0.07 -0.19 0.14 0.00 0.00 0.00 173.10 173.16 1spq s VAL 61 N -2.97 1.58 -0.02 1.40 1.01 -1.26 -0.72 120.40 119.43 1spq s VAL 61 Ca 0.53 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1spq s VAL 61 Cb -0.11 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1spq s VAL 61 CO 0.48 0.45 -0.20 0.00 0.00 0.00 0.00 175.10 175.83 1spq s ALA 62 N 0.07 1.69 0.62 5.51 0.00 -0.41 -2.81 121.76 126.43 1spq s ALA 62 Ca -0.06 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 1spq s ALA 62 Cb -0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1spq s ALA 62 CO 0.03 0.41 1.09 0.00 0.00 0.00 0.00 175.76 177.29 1spq s ALA 63 N -0.44 2.61 -1.58 0.00 0.00 -0.85 -2.40 121.76 119.09 1spq s ALA 63 Ca 0.07 0.49 0.25 0.00 0.00 0.00 0.00 51.96 52.77 1spq s ALA 63 Cb -0.08 -3.28 0.54 0.00 0.00 0.00 0.00 23.12 20.30 1spq s ALA 63 CO -0.01 -1.03 1.43 1.04 0.00 0.00 0.00 175.76 177.19 1spq n GLN 64 N -2.18 0.66 -3.63 0.00 6.02 -1.26 -1.48 117.38 115.52 1spq n GLN 64 Ca 0.10 -0.42 -0.03 0.00 -0.01 0.00 0.00 57.00 56.63 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 -2.64 -0.07 0.32 1.08 2.47 -1.23 -4.68 114.94 110.19 1spq s ASN 65 Ca 0.20 0.03 -0.10 0.00 0.42 0.00 0.00 52.86 53.41 1spq s ASN 65 Cb 0.18 0.07 0.02 0.00 -1.45 0.00 0.00 41.25 40.07 1spq s ASN 65 CO 0.59 -0.10 0.58 0.00 -3.72 0.00 0.00 177.10 174.45 1spq n TYR 67 N -0.50 -2.18 -0.00 0.00 9.36 -0.38 -4.98 117.16 118.48 1spq n TYR 67 Ca -0.03 -1.14 0.05 0.00 3.32 0.00 0.00 57.90 60.10 1spq n TYR 67 Cb 0.61 -0.28 0.11 0.00 -0.63 0.00 0.00 39.34 39.16 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 -1.53 2.21 -4.25 2.98 2.85 -1.26 -4.61 118.16 114.55 1spq n LYS 68 Ca 0.06 -1.76 -0.14 0.00 -1.05 0.00 0.00 58.31 55.42 1spq n LYS 68 Cb 0.32 -1.23 -0.10 0.00 -0.65 0.00 0.00 35.03 33.36 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 0.59 0.22 0.58 -7.23 -1.26 -4.85 120.40 107.48 1spq s VAL 69 Ca 0.19 -1.98 0.13 0.00 -1.81 0.00 0.00 61.98 58.51 1spq s VAL 69 Cb 0.10 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.82 1spq s VAL 69 CO 0.14 -0.36 1.63 -0.65 -0.31 0.00 0.00 175.10 175.55 1spq h PRO 70 N 2.64 0.00 -3.28 4.82 0.11 -1.99 -3.44 132.00 130.86 1spq h PRO 70 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 1spq h PRO 70 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 1spq h PRO 70 CO 0.62 0.56 0.06 -1.59 -0.21 0.00 0.00 178.00 177.44 1spq s LYS 71 N -3.54 1.55 0.00 1.05 -2.85 -1.26 -4.74 119.74 109.95 1spq s LYS 71 Ca -0.01 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 1spq s LYS 71 Cb 0.12 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.43 1spq s LYS 71 CO 0.74 -0.67 0.00 0.41 0.10 0.00 0.00 175.35 175.93 1spq n GLY 72 N -0.39 0.52 2.76 0.59 0.00 -1.26 -5.00 105.19 102.41 1spq n GLY 72 Ca -0.06 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.77 5.67 -3.28 4.61 0.00 -1.26 -4.73 120.51 120.75 1spq n ALA 73 Ca 0.00 -4.12 -0.25 0.00 0.00 0.00 0.00 53.44 49.07 1spq n ALA 73 Cb 0.00 -3.16 -0.08 0.00 0.00 0.00 0.00 19.45 16.21 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 4.36 0.83 -1.65 0.00 3.72 -1.26 -5.10 117.46 118.36 1spq n PHE 74 Ca 0.48 -3.73 -0.52 0.00 -0.05 0.00 0.00 57.45 53.62 1spq n PHE 74 Cb 0.35 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 38.45 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 1.34 0.17 -0.05 4.37 -1.04 -1.26 -1.87 114.28 115.94 1spq n THR 75 Ca 0.24 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1spq n THR 75 Cb 0.49 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 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 3.43 0.70 3.94 3.41 0.00 -1.26 -5.09 105.19 110.33 1spq n GLY 76 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.76 3.24 0.17 1.61 0.41 -0.78 -5.15 118.70 117.44 1spq s GLU 77 Ca 0.00 -0.89 0.07 0.00 -0.41 0.00 0.00 54.97 53.74 1spq s GLU 77 Cb 0.00 -2.79 -0.04 0.00 -1.78 0.00 0.00 34.13 29.51 1spq s GLU 77 CO 0.00 0.33 -0.14 0.96 -0.49 0.00 0.00 175.26 175.92 1spq s ILE 78 N -2.06 1.59 0.26 -1.63 -4.36 -1.26 -5.04 121.20 108.70 1spq s ILE 78 Ca 0.36 -2.06 0.10 0.00 -0.26 0.00 0.00 60.65 58.80 1spq s ILE 78 Cb -0.09 -1.89 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 1spq s ILE 78 CO 0.29 -0.54 -0.06 -0.94 0.24 0.00 0.00 174.94 173.92 1spq s SER 79 N -3.04 4.27 0.36 4.36 1.04 -1.26 -1.25 113.70 118.19 1spq s SER 79 Ca 0.18 -0.73 0.11 0.00 0.48 0.00 0.00 55.95 55.99 1spq s SER 79 Cb -0.02 -0.69 0.89 0.00 0.10 0.00 0.00 66.02 66.30 1spq s SER 79 CO 0.05 0.02 1.84 -0.65 0.98 0.00 0.00 173.24 175.48 1spq h PRO 80 N 2.10 0.59 -0.80 4.02 0.11 -1.84 -1.79 132.00 134.39 1spq h PRO 80 Ca -0.43 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.70 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 0.60 0.39 0.49 0.00 -0.21 0.00 0.00 178.00 179.26 1spq h ALA 81 N 1.61 1.09 -0.45 -0.75 0.00 -1.92 -1.65 119.26 117.19 1spq h ALA 81 Ca 0.50 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.32 1spq h ALA 81 Cb 0.95 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1spq h ALA 81 CO -0.25 0.22 -0.07 0.52 0.00 0.00 0.00 179.25 179.67 1spq h MET 82 N 0.90 0.78 -0.35 0.00 2.86 -1.67 -1.43 114.93 116.02 1spq h MET 82 Ca 0.35 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1spq h MET 82 Cb 0.16 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1spq h MET 82 CO -0.17 0.84 -0.05 0.82 1.06 0.00 0.00 176.91 179.41 1spq h ILE 83 N 0.72 1.27 -0.78 -1.22 2.04 -1.08 -2.84 117.51 115.62 1spq h ILE 83 Ca 0.13 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 1spq h ILE 83 Cb 0.54 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1spq h ILE 83 CO 0.03 0.36 0.30 0.11 0.00 0.00 0.00 178.15 178.95 1spq h LYS 84 N 0.44 1.16 -0.94 2.37 1.57 -1.27 -2.33 116.57 117.57 1spq h LYS 84 Ca 0.09 -0.22 0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1spq h LYS 84 Cb 0.54 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 1spq h LYS 84 CO 0.03 0.95 0.61 0.22 -0.57 0.00 0.00 179.45 180.69 1spq h ASP 85 N 1.13 0.93 -0.16 0.86 3.58 -1.03 -0.01 116.42 121.73 1spq h ASP 85 Ca 0.26 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.72 1spq h ASP 85 Cb 0.23 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1spq h ASP 85 CO -0.02 0.58 0.00 2.30 -2.88 0.00 0.00 179.24 179.22 1spq n ILE 86 N -4.51 0.19 -0.25 2.25 -6.64 -1.10 -4.95 119.36 104.35 1spq n ILE 86 Ca 0.15 -0.37 0.00 0.00 -1.77 0.00 0.00 62.75 60.76 1spq n ILE 86 Cb 0.23 0.49 0.00 0.00 -1.44 0.00 0.00 39.64 38.92 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 1.18 0.87 3.85 3.28 0.00 -0.02 -4.83 105.19 109.52 1spq n GLY 87 Ca 0.17 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 3.38 -0.57 4.61 0.00 -0.89 -4.93 121.76 121.35 1spq s ALA 88 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1spq s ALA 88 Cb 0.00 -2.71 0.03 0.00 0.00 0.00 0.00 23.12 20.44 1spq s ALA 88 CO 0.00 0.37 0.59 0.00 0.00 0.00 0.00 175.76 176.72 1spq n ALA 89 N -0.21 2.50 -2.39 0.00 0.00 -1.14 -3.91 120.51 115.36 1spq n ALA 89 Ca 0.02 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 1spq n ALA 89 Cb 0.53 -0.17 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.57 1.20 -0.03 0.00 0.52 -1.12 -1.10 118.94 117.85 1spq s TRP 90 Ca 0.05 -0.68 -0.02 0.00 0.02 0.00 0.00 56.10 55.48 1spq s TRP 90 Cb 0.04 -0.63 0.01 0.00 -1.15 0.00 0.00 33.47 31.74 1spq s TRP 90 CO 0.08 0.06 0.06 0.54 0.02 0.00 0.00 176.95 177.71 1spq s VAL 91 N -2.74 -0.01 -0.11 4.03 0.11 -0.87 -2.00 120.40 118.81 1spq s VAL 91 Ca 0.11 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.97 1spq s VAL 91 Cb -0.01 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.70 1spq s VAL 91 CO 0.01 0.02 0.66 -0.63 -3.33 0.00 0.00 175.10 171.82 1spq s ILE 92 N 0.24 5.05 0.01 7.04 1.01 -0.55 -1.72 121.20 132.28 1spq s ILE 92 Ca -0.02 1.33 0.03 0.00 0.00 0.00 0.00 60.65 61.99 1spq s ILE 92 Cb -0.03 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1spq s ILE 92 CO -0.01 0.22 -0.10 -0.76 0.00 0.00 0.00 174.94 174.29 1spq s LEU 93 N 1.11 2.08 -0.95 2.97 1.43 -0.62 -3.56 118.68 121.15 1spq s LEU 93 Ca 0.34 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1spq s LEU 93 Cb -0.17 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.58 1spq s LEU 93 CO 0.15 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1spq n GLY 94 N 2.50 0.68 3.67 -3.19 0.00 -1.26 -1.33 105.19 106.25 1spq n GLY 94 Ca -0.15 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.21 1.71 -0.26 1.61 -0.00 -1.26 -4.49 115.22 109.31 1spq n HIS 95 Ca -0.10 0.50 0.14 0.00 0.46 0.00 0.00 57.72 58.72 1spq n HIS 95 Cb 0.42 -2.30 0.41 0.00 -0.12 0.00 0.00 29.99 28.40 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 1.65 0.59 -0.14 0.26 4.64 -1.95 -0.92 113.55 117.67 1spq h SER 96 Ca -0.47 0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 60.79 1spq h SER 96 Cb 1.32 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1spq h SER 96 CO 0.57 0.27 -0.23 -0.33 -0.87 0.00 0.00 176.83 176.25 1spq h GLU 97 N 0.61 0.58 -0.44 4.77 5.08 -1.97 -0.52 114.58 122.69 1spq h GLU 97 Ca 0.46 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1spq h GLU 97 Cb 0.86 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1spq h GLU 97 CO -0.21 0.77 0.14 0.00 -1.00 0.00 0.00 179.01 178.72 1spq h ARG 98 N 0.52 0.68 -0.32 2.33 2.47 -1.54 -1.86 114.38 116.65 1spq h ARG 98 Ca 0.08 -0.14 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 1spq h ARG 98 Cb 0.67 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 1spq h ARG 98 CO 0.05 0.65 -0.05 0.00 0.56 0.00 0.00 179.97 181.18 1spq h ARG 99 N 0.57 0.61 0.00 0.04 3.08 -1.22 -2.04 114.38 115.43 1spq h ARG 99 Ca 0.14 -0.22 -0.27 0.00 0.07 0.00 0.00 59.98 59.70 1spq h ARG 99 Cb 0.25 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1spq h ARG 99 CO -0.01 0.77 -2.01 0.72 -1.07 0.00 0.00 179.97 178.38 1spq n HIS 100 N -4.47 0.00 0.03 3.04 8.25 -0.22 -2.36 115.22 119.49 1spq n HIS 100 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.21 1spq n HIS 100 Cb 0.31 -0.73 -0.14 0.00 1.12 0.00 0.00 29.99 30.55 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 0.90 -0.17 1.59 2.07 -1.51 -3.40 116.25 115.73 1spq h VAL 101 Ca -0.40 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 64.69 1spq h VAL 101 Cb 1.89 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 34.34 1spq h VAL 101 CO 0.02 0.80 0.00 0.49 0.02 0.00 0.00 177.57 178.90 1spq n PHE 102 N -3.71 0.21 -2.23 1.57 3.72 -1.13 -5.03 117.46 110.86 1spq n PHE 102 Ca -0.26 -0.15 -0.11 0.00 -0.05 0.00 0.00 57.45 56.87 1spq n PHE 102 Cb 1.00 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.53 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 0.94 -0.06 3.71 1.37 0.00 -0.83 -4.93 105.19 105.39 1spq n GLY 103 Ca 0.12 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.56 4.44 0.57 1.61 2.02 -0.83 -4.98 118.70 116.98 1spq s GLU 104 Ca 0.01 1.72 -0.07 0.00 0.02 0.00 0.00 54.97 56.65 1spq s GLU 104 Cb -0.00 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 1spq s GLU 104 CO 0.01 -0.25 0.91 -1.54 0.02 0.00 0.00 175.26 174.41 1spq s SER 105 N 1.09 5.92 0.28 -0.19 1.04 -1.26 -4.53 113.70 116.05 1spq s SER 105 Ca 0.58 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.99 1spq s SER 105 Cb -0.28 -2.06 0.52 0.00 0.10 0.00 0.00 66.02 64.29 1spq s SER 105 CO 0.28 -0.90 1.84 0.44 0.98 0.00 0.00 173.24 175.89 1spq h ASP 106 N -0.13 0.93 -0.36 7.02 5.19 -1.99 -1.84 116.42 125.24 1spq h ASP 106 Ca -0.46 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 55.96 1spq h ASP 106 Cb 1.23 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 1spq h ASP 106 CO 0.62 0.51 0.08 -0.08 -3.12 0.00 0.00 179.24 177.25 1spq h GLU 107 N 1.01 0.58 -0.13 3.56 4.81 -1.94 -1.35 114.58 121.12 1spq h GLU 107 Ca 0.48 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1spq h GLU 107 Cb 0.43 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1spq h GLU 107 CO -0.25 0.62 0.05 1.25 -0.73 0.00 0.00 179.01 179.95 1spq h LEU 108 N 0.43 0.18 -0.88 1.64 5.85 -1.90 -2.52 115.31 118.12 1spq h LEU 108 Ca 0.11 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1spq h LEU 108 Cb 0.31 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1spq h LEU 108 CO 0.00 0.31 0.57 0.40 -0.34 0.00 0.00 178.44 179.38 1spq h ILE 109 N 0.05 1.15 -0.76 4.05 2.04 -1.28 -1.20 117.51 121.56 1spq h ILE 109 Ca 0.04 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.53 1spq h ILE 109 Cb 0.19 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 1spq h ILE 109 CO -0.00 0.20 0.50 1.23 0.00 0.00 0.00 178.15 180.08 1spq h GLY 110 N 1.11 1.07 1.03 5.37 0.00 -1.14 -1.06 103.07 109.45 1spq h GLY 110 Ca 0.35 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1spq h GLY 110 CO -0.11 0.39 0.24 1.46 0.00 0.00 0.00 176.54 178.51 1spq h GLN 111 N 1.02 1.06 -0.68 4.80 4.20 -1.01 -2.60 115.11 121.90 1spq h GLN 111 Ca 0.28 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1spq h GLN 111 Cb -0.11 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.47 1spq h GLN 111 CO -0.06 0.90 0.40 0.87 -0.67 0.00 0.00 178.83 180.27 1spq h LYS 112 N 1.00 0.92 -0.17 1.46 1.57 -0.73 -2.61 116.57 118.01 1spq h LYS 112 Ca 0.23 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1spq h LYS 112 Cb 0.26 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1spq h LYS 112 CO -0.01 0.66 0.09 0.28 -0.57 0.00 0.00 179.45 179.90 1spq h VAL 113 N 0.92 1.01 -0.85 0.50 2.07 -1.08 -1.39 116.25 117.43 1spq h VAL 113 Ca 0.24 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 1spq h VAL 113 Cb -0.02 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1spq h VAL 113 CO -0.04 0.04 0.41 0.00 0.02 0.00 0.00 177.57 177.99 1spq h ALA 114 N 1.08 1.09 -0.09 1.67 0.00 -1.38 -2.48 119.26 119.15 1spq h ALA 114 Ca 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1spq h ALA 114 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1spq h ALA 114 CO -0.04 0.65 -0.19 1.25 0.00 0.00 0.00 179.25 180.92 1spq h HIS 115 N 1.21 0.36 -0.67 0.00 6.17 -1.35 -2.03 115.15 118.84 1spq h HIS 115 Ca 0.29 -0.13 0.07 0.00 0.71 0.00 0.00 60.37 61.31 1spq h HIS 115 Cb 0.11 -0.07 -0.06 0.00 2.52 0.00 0.00 27.41 29.91 1spq h HIS 115 CO 0.01 0.80 0.35 0.00 0.71 0.00 0.00 177.93 179.80 1spq h ALA 116 N 0.50 0.90 -0.38 5.26 0.00 -1.23 -1.37 119.26 122.93 1spq h ALA 116 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1spq h ALA 116 Cb 0.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1spq h ALA 116 CO 0.04 -0.01 -0.26 -0.07 0.00 0.00 0.00 179.25 178.95 1spq h LEU 117 N 0.62 0.89 -1.58 0.00 3.38 -1.46 -1.83 115.31 115.33 1spq h LEU 117 Ca 0.31 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1spq h LEU 117 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1spq h LEU 117 CO -0.22 1.13 -0.22 0.00 0.09 0.00 0.00 178.44 179.23 1spq h ALA 118 N 0.79 1.60 -0.00 1.53 0.00 -1.16 -2.49 119.26 119.53 1spq h ALA 118 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1spq h ALA 118 Cb 0.83 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1spq h ALA 118 CO 0.07 0.27 -0.06 0.39 0.00 0.00 0.00 179.25 179.92 1spq n GLU 119 N -4.22 0.83 -0.38 0.00 -0.58 -0.53 -4.94 120.64 110.82 1spq n GLU 119 Ca -0.02 -0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.49 1spq n GLU 119 Cb 0.28 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 1.21 0.77 3.90 0.62 0.00 -0.94 -4.97 105.19 105.78 1spq n GLY 120 Ca 0.17 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 4.09 0.47 0.99 1.43 -0.71 -5.02 118.68 119.93 1spq s LEU 121 Ca 0.00 0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 53.64 1spq s LEU 121 Cb 0.00 -3.51 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 1spq s LEU 121 CO 0.00 -0.16 0.94 -0.83 0.23 0.00 0.00 176.35 176.53 1spq s GLY 122 N -3.02 2.17 -0.09 -3.19 0.00 -0.26 -4.24 107.32 98.68 1spq s GLY 122 Ca 0.44 0.20 0.02 0.00 0.00 0.00 0.00 44.72 45.38 1spq s GLY 122 CO 0.28 0.47 -0.13 0.14 0.00 0.00 0.00 173.10 173.86 1spq s VAL 123 N -2.43 1.32 -0.53 1.40 1.01 -0.81 -2.05 120.40 118.32 1spq s VAL 123 Ca 0.59 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1spq s VAL 123 Cb -0.10 -1.22 0.08 0.00 0.00 0.00 0.00 36.38 35.15 1spq s VAL 123 CO 0.25 0.40 0.58 -0.63 0.00 0.00 0.00 175.10 175.70 1spq s ILE 124 N 0.97 4.98 -0.27 2.22 1.01 -0.70 -1.71 121.20 127.70 1spq s ILE 124 Ca -0.08 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 1spq s ILE 124 Cb -0.15 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1spq s ILE 124 CO -0.01 -0.85 0.28 0.00 0.00 0.00 0.00 174.94 174.36 1spq s ALA 125 N 2.30 3.55 -0.13 9.38 0.00 -0.47 -1.58 121.76 134.80 1spq s ALA 125 Ca 0.10 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 1spq s ALA 125 Cb -0.23 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1spq s ALA 125 CO 0.08 -0.55 0.12 0.00 0.00 0.00 0.00 175.76 175.41 1spq s ILE 127 N -0.72 0.76 0.00 0.00 -4.36 -0.53 -4.66 121.20 111.70 1spq s ILE 127 Ca 0.13 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 1spq s ILE 127 Cb -0.12 -1.44 0.00 0.00 1.25 0.00 0.00 42.46 42.15 1spq s ILE 127 CO 0.03 -0.71 0.00 0.61 0.24 0.00 0.00 174.94 175.11 1spq n GLY 128 N 0.34 2.18 3.89 6.27 0.00 -1.26 -1.01 105.19 115.60 1spq n GLY 128 Ca -0.15 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 3.53 0.84 1.61 1.03 -1.25 -4.83 118.70 117.63 1spq s GLU 129 Ca 0.00 -0.16 -0.12 0.00 0.03 0.00 0.00 54.97 54.73 1spq s GLU 129 Cb 0.00 -3.09 0.13 0.00 -0.80 0.00 0.00 34.13 30.37 1spq s GLU 129 CO 0.00 0.66 1.20 0.15 -1.33 0.00 0.00 175.26 175.94 1spq s LYS 130 N -1.79 1.48 0.09 -4.83 1.02 -1.26 -2.33 119.74 112.11 1spq s LYS 130 Ca 0.27 -0.23 -0.21 0.00 0.02 0.00 0.00 55.97 55.82 1spq s LYS 130 Cb -0.13 -1.97 -0.11 0.00 -0.52 0.00 0.00 37.83 35.10 1spq s LYS 130 CO 0.16 -1.84 1.64 1.25 -0.92 0.00 0.00 175.35 175.64 1spq h LEU 131 N -1.17 0.19 -1.44 3.17 5.85 -1.99 -2.38 115.31 117.54 1spq h LEU 131 Ca -0.45 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.16 1spq h LEU 131 Cb 1.29 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1spq h LEU 131 CO 0.53 0.28 0.41 -2.24 -0.34 0.00 0.00 178.44 177.07 1spq h ASP 132 N 0.09 0.64 -0.31 1.25 3.04 -2.00 -2.42 116.42 116.72 1spq h ASP 132 Ca 0.05 -0.01 -0.07 0.00 -3.24 0.00 0.00 57.03 53.76 1spq h ASP 132 Cb 0.14 -0.15 -0.01 0.00 -1.04 0.00 0.00 39.33 38.27 1spq h ASP 132 CO -0.01 0.44 -0.08 -0.33 -2.04 0.00 0.00 179.24 177.23 1spq h GLU 133 N 0.74 0.59 -0.81 4.15 5.08 -1.89 -2.39 114.58 120.06 1spq h GLU 133 Ca 0.24 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1spq h GLU 133 Cb 0.06 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1spq h GLU 133 CO -0.07 0.78 0.44 -0.09 -1.00 0.00 0.00 179.01 179.07 1spq h ARG 134 N 0.36 1.14 -0.12 2.33 2.43 -1.21 -2.68 114.38 116.63 1spq h ARG 134 Ca 0.08 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 1spq h ARG 134 Cb 0.57 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1spq h ARG 134 CO 0.03 0.84 -0.21 0.93 -1.51 0.00 0.00 179.97 180.06 1spq h GLU 135 N 1.13 0.20 -0.00 0.20 5.08 -1.37 -2.10 114.58 117.73 1spq h GLU 135 Ca 0.28 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1spq h GLU 135 Cb 0.04 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1spq h GLU 135 CO -0.04 0.41 -0.01 0.00 -1.00 0.00 0.00 179.01 178.37 1spq n ALA 136 N -2.49 2.53 -0.87 3.43 0.00 -0.91 -4.92 120.51 117.29 1spq n ALA 136 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1spq n ALA 136 Cb 0.32 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.26 0.50 1.53 0.00 0.00 -0.79 -4.96 105.19 102.73 1spq n GLY 137 Ca 0.15 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.87 2.78 -0.01 -0.61 -5.35 -1.03 -4.72 119.36 107.56 1spq n ILE 138 Ca 0.00 -2.56 -0.10 0.00 -0.27 0.00 0.00 62.75 59.82 1spq n ILE 138 Cb 0.00 -0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 37.46 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 1.02 0.28 -0.22 7.28 2.02 -1.87 -2.39 112.91 119.05 1spq h THR 139 Ca 0.36 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 1spq h THR 139 Cb 2.00 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1spq h THR 139 CO 0.64 0.00 0.10 -0.33 0.37 0.00 0.00 175.52 176.30 1spq h GLU 140 N -0.38 0.32 -0.74 6.66 5.08 -1.97 -2.31 114.58 121.23 1spq h GLU 140 Ca 0.10 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1spq h GLU 140 Cb 0.54 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1spq h GLU 140 CO -0.37 0.35 0.48 -0.22 -1.00 0.00 0.00 179.01 178.25 1spq h LYS 141 N 0.21 0.93 0.07 2.33 3.64 -1.90 -1.13 116.57 120.72 1spq h LYS 141 Ca 0.07 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1spq h LYS 141 Cb 0.14 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1spq h LYS 141 CO -0.01 0.62 -0.03 0.28 -2.27 0.00 0.00 179.45 178.04 1spq h VAL 142 N 0.96 1.10 0.00 2.00 2.07 -1.31 -2.27 116.25 118.81 1spq h VAL 142 Ca 0.29 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 1spq h VAL 142 Cb -0.04 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1spq h VAL 142 CO -0.09 0.15 -0.47 -0.37 0.02 0.00 0.00 177.57 176.81 1spq h VAL 143 N -0.36 1.34 -0.55 2.57 -1.51 -1.37 -2.41 116.25 113.97 1spq h VAL 143 Ca -0.01 -1.62 -0.11 0.00 -1.23 0.00 0.00 66.70 63.73 1spq h VAL 143 Cb 0.31 1.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.33 1spq h VAL 143 CO 0.02 0.46 -0.08 -0.26 -1.23 0.00 0.00 177.57 176.47 1spq h PHE 144 N 0.00 1.13 -0.24 5.19 0.04 -1.20 -1.29 116.94 120.57 1spq h PHE 144 Ca -0.00 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.54 1spq h PHE 144 Cb 0.84 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 1spq h PHE 144 CO 0.00 1.03 0.12 1.49 -0.60 0.00 0.00 178.31 180.36 1spq h GLU 145 N 0.91 0.34 -0.36 1.51 4.81 -1.20 -0.66 114.58 119.93 1spq h GLU 145 Ca 0.15 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1spq h GLU 145 Cb 0.64 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1spq h GLU 145 CO 0.04 0.33 -0.23 1.96 -0.73 0.00 0.00 179.01 180.38 1spq h GLN 146 N 0.27 0.71 -0.55 1.92 4.20 -1.42 -2.75 115.11 117.48 1spq h GLN 146 Ca 0.08 -0.28 -0.10 0.00 0.06 0.00 0.00 58.65 58.42 1spq h GLN 146 Cb 0.09 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1spq h GLN 146 CO -0.01 0.87 -0.03 1.15 -0.67 0.00 0.00 178.83 180.14 1spq h THR 147 N 0.62 1.26 -0.35 -0.54 2.02 -1.09 -2.79 112.91 112.04 1spq h THR 147 Ca 0.09 -1.15 -0.10 0.00 0.77 0.00 0.00 66.41 66.02 1spq h THR 147 Cb 0.72 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1spq h THR 147 CO 0.06 0.41 -0.19 0.50 0.37 0.00 0.00 175.52 176.67 1spq h LYS 148 N 0.89 0.66 0.00 6.66 3.64 -1.04 -0.68 116.57 126.71 1spq h LYS 148 Ca 0.16 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1spq h LYS 148 Cb 0.56 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1spq h LYS 148 CO 0.03 0.81 -0.30 0.00 -2.27 0.00 0.00 179.45 177.72 1spq h ALA 149 N 1.20 1.17 0.00 5.00 0.00 -1.33 -1.76 119.26 123.55 1spq h ALA 149 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1spq h ALA 149 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1spq h ALA 149 CO 0.05 0.37 -0.03 0.82 0.00 0.00 0.00 179.25 180.47 1spq h ILE 150 N 0.00 1.71 -0.15 0.00 2.04 -1.27 -3.39 117.51 116.45 1spq h ILE 150 Ca -0.00 -2.13 -0.07 0.00 1.00 0.00 0.00 64.86 63.66 1spq h ILE 150 Cb 0.68 3.16 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 1spq h ILE 150 CO 0.04 0.55 -0.22 0.00 0.00 0.00 0.00 178.15 178.52 1spq h ALA 151 N 0.10 1.35 0.00 1.87 0.00 -0.95 -0.53 119.26 121.10 1spq h ALA 151 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1spq h ALA 151 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1spq h ALA 151 CO 0.00 0.45 0.00 -0.25 0.00 0.00 0.00 179.25 179.45 1spq n ASP 152 N -4.18 0.48 -0.35 0.00 8.00 -0.68 -2.33 116.55 117.49 1spq n ASP 152 Ca -0.01 0.71 0.04 0.00 0.71 0.00 0.00 54.79 56.24 1spq n ASP 152 Cb 0.34 -0.78 0.10 0.00 -0.02 0.00 0.00 41.12 40.77 1spq n ASP 152 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1spq n ASN 153 N -2.13 2.60 -4.21 -2.24 3.02 -0.22 -4.94 115.26 107.14 1spq n ASN 153 Ca -0.01 -2.22 -0.35 0.00 -0.03 0.00 0.00 54.58 51.97 1spq n ASN 153 Cb 0.06 -0.19 -0.14 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.39 3.13 -0.19 2.41 1.01 -0.98 -4.06 120.40 120.32 1spq s VAL 154 Ca 0.17 -1.16 0.19 0.00 0.00 0.00 0.00 61.98 61.17 1spq s VAL 154 Cb 0.11 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1spq s VAL 154 CO 0.07 0.01 1.06 0.11 0.00 0.00 0.00 175.10 176.35 1spq h LYS 155 N 8.05 0.00 -2.99 2.72 1.57 -1.92 -3.46 116.57 120.53 1spq h LYS 155 Ca -0.26 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.26 1spq h LYS 155 Cb 1.09 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.06 1spq h LYS 155 CO 0.56 0.21 -0.59 0.34 -0.57 0.00 0.00 179.45 179.40 1spq s ASP 156 N -5.79 0.53 0.00 0.86 2.15 -1.26 -5.06 116.67 108.10 1spq s ASP 156 Ca -0.00 0.45 0.28 0.00 0.43 0.00 0.00 52.55 53.71 1spq s ASP 156 Cb 0.08 0.46 1.15 0.00 -0.30 0.00 0.00 42.92 44.31 1spq s ASP 156 CO 0.78 -0.24 1.80 0.79 -0.17 0.00 0.00 175.17 178.13 1spq n TRP 157 N 5.27 0.00 0.25 -5.34 7.02 -1.26 -4.33 117.44 119.05 1spq n TRP 157 Ca -0.06 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.51 1spq n TRP 157 Cb 0.50 -0.01 0.65 0.00 -2.42 0.00 0.00 31.31 30.03 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 1.93 0.00 -0.28 -0.99 4.64 -1.98 -2.76 113.55 114.12 1spq h SER 158 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1spq h SER 158 Cb 0.43 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.45 1spq h SER 158 CO 0.00 0.13 -0.10 0.29 -0.87 0.00 0.00 176.83 176.28 1spq n LYS 159 N -4.00 1.98 -5.02 4.77 5.02 -1.26 -4.97 118.16 114.68 1spq n LYS 159 Ca -0.02 -3.09 -0.32 0.00 -2.02 0.00 0.00 58.31 52.86 1spq n LYS 159 Cb 0.21 -1.78 -0.15 0.00 -0.02 0.00 0.00 35.03 33.29 1spq n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1spq s VAL 160 N -3.14 2.64 -0.09 -0.18 1.01 -1.04 -1.93 120.40 117.68 1spq s VAL 160 Ca 0.43 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1spq s VAL 160 Cb 0.38 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1spq s VAL 160 CO 0.01 0.57 -0.20 -0.69 0.00 0.00 0.00 175.10 174.79 1spq s VAL 161 N -0.22 1.74 -0.10 2.92 1.01 -0.69 -4.58 120.40 120.48 1spq s VAL 161 Ca -0.01 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 1spq s VAL 161 Cb -0.13 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1spq s VAL 161 CO 0.03 0.49 0.49 -0.76 0.00 0.00 0.00 175.10 175.35 1spq s LEU 162 N 0.42 4.30 -0.22 3.92 1.43 -0.95 -1.37 118.68 126.21 1spq s LEU 162 Ca -0.17 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1spq s LEU 162 Cb -0.17 -2.72 0.02 0.00 0.03 0.00 0.00 46.19 43.35 1spq s LEU 162 CO 0.07 0.02 -0.11 0.00 0.23 0.00 0.00 176.35 176.55 1spq s ALA 163 N 0.50 2.58 -0.33 4.21 0.00 -0.14 -1.05 121.76 127.54 1spq s ALA 163 Ca 0.27 -1.34 -0.20 0.00 0.00 0.00 0.00 51.96 50.68 1spq s ALA 163 Cb -0.15 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.46 1spq s ALA 163 CO 0.11 -0.60 0.63 -0.47 0.00 0.00 0.00 175.76 175.43 1spq s TYR 164 N 1.33 3.19 -0.22 0.00 5.04 -0.50 -1.45 117.35 124.73 1spq s TYR 164 Ca 0.02 0.49 -0.02 0.00 -2.44 0.00 0.00 57.07 55.12 1spq s TYR 164 Cb -0.15 -3.05 0.01 0.00 0.35 0.00 0.00 41.96 39.12 1spq s TYR 164 CO -0.07 -0.54 -0.08 -1.21 -1.34 0.00 0.00 175.55 172.31 1spq s GLU 165 N 2.65 3.15 -0.18 4.97 2.02 -0.18 -0.07 118.70 131.06 1spq s GLU 165 Ca 0.25 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 54.19 1spq s GLU 165 Cb -0.15 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 1spq s GLU 165 CO 0.13 -0.25 1.53 -1.25 0.02 0.00 0.00 175.26 175.44 1spq s PRO 166 N 1.40 3.97 0.20 0.39 0.04 -1.26 -3.84 135.00 135.89 1spq s PRO 166 Ca 0.04 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.73 1spq s PRO 166 Cb -0.15 -3.96 0.13 0.00 0.04 0.00 0.00 34.50 30.56 1spq s PRO 166 CO -0.06 -1.07 1.79 0.28 0.04 0.00 0.00 177.00 177.98 1spq h VAL 167 N 5.88 1.23 0.00 -0.36 2.07 -1.78 -3.45 116.25 119.84 1spq h VAL 167 Ca -0.33 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1spq h VAL 167 Cb 1.14 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1spq h VAL 167 CO 0.99 0.27 0.00 -2.67 0.02 0.00 0.00 177.57 176.18 1spq n TRP 168 N -4.43 0.00 -1.67 1.57 4.27 -1.26 -5.00 117.44 110.93 1spq n TRP 168 Ca 0.06 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.38 1spq n TRP 168 Cb 0.13 0.00 0.10 0.00 -1.36 0.00 0.00 31.31 30.18 1spq n TRP 168 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1spq s THR 177 N 0.00 2.48 0.45 -1.67 -4.23 -1.26 -5.09 115.64 106.32 1spq s THR 177 Ca 0.00 0.15 0.18 0.00 -1.18 0.00 0.00 61.69 60.85 1spq s THR 177 Cb 0.00 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 71.07 1spq s THR 177 CO 0.00 -0.20 2.02 -0.65 -0.54 0.00 0.00 174.62 175.25 1spq h PRO 178 N -1.18 0.00 -0.05 3.99 0.11 -1.97 -2.69 132.00 130.21 1spq h PRO 178 Ca -0.48 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 1spq h PRO 178 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1spq h PRO 178 CO 0.62 0.16 -0.77 1.96 -0.21 0.00 0.00 178.00 179.76 1spq h GLN 179 N 0.00 0.37 -0.39 1.05 7.50 -1.99 -1.82 115.11 119.83 1spq h GLN 179 Ca -0.00 -0.32 -0.12 0.00 0.50 0.00 0.00 58.65 58.70 1spq h GLN 179 Cb 0.31 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 1spq h GLN 179 CO 0.02 0.97 -0.26 1.96 -1.50 0.00 0.00 178.83 180.03 1spq h GLN 180 N 0.24 0.80 -0.24 1.46 4.20 -1.98 -2.56 115.11 117.03 1spq h GLN 180 Ca -0.04 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 1spq h GLN 180 Cb 1.36 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 1spq h GLN 180 CO 0.13 0.97 0.09 0.00 -0.67 0.00 0.00 178.83 179.35 1spq h ALA 181 N 1.02 0.31 -0.97 3.87 0.00 -1.41 -3.08 119.26 119.00 1spq h ALA 181 Ca 0.09 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1spq h ALA 181 Cb 0.78 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1spq h ALA 181 CO 0.06 -0.09 0.63 0.37 0.00 0.00 0.00 179.25 180.22 1spq h GLN 182 N 0.23 1.09 -0.64 0.00 5.75 -1.29 -1.71 115.11 118.54 1spq h GLN 182 Ca 0.08 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1spq h GLN 182 Cb 0.19 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1spq h GLN 182 CO -0.01 0.72 0.34 0.93 -2.65 0.00 0.00 178.83 178.16 1spq h GLU 183 N 1.12 0.91 -0.29 1.69 5.08 -1.37 -1.11 114.58 120.61 1spq h GLU 183 Ca 0.42 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.53 1spq h GLU 183 Cb 0.19 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1spq h GLU 183 CO -0.17 0.70 -0.34 0.28 -1.00 0.00 0.00 179.01 178.48 1spq h VAL 184 N 0.88 1.30 -0.88 3.13 2.07 -1.38 -2.91 116.25 118.46 1spq h VAL 184 Ca 0.22 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1spq h VAL 184 Cb 0.07 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1spq h VAL 184 CO -0.03 0.49 0.50 0.45 0.02 0.00 0.00 177.57 178.99 1spq h HIS 185 N 0.48 1.19 -0.71 1.57 3.86 -1.19 -1.91 115.15 118.43 1spq h HIS 185 Ca 0.04 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1spq h HIS 185 Cb 0.92 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 1spq h HIS 185 CO 0.07 0.81 0.25 1.49 0.86 0.00 0.00 177.93 181.42 1spq h GLU 186 N 1.22 1.08 -0.12 2.45 4.81 -1.21 -2.36 114.58 120.46 1spq h GLU 186 Ca 0.31 -0.22 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 1spq h GLU 186 Cb 0.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1spq h GLU 186 CO -0.05 0.91 -0.57 0.87 -0.73 0.00 0.00 179.01 179.44 1spq h LYS 187 N 1.03 0.38 -0.66 1.92 1.57 -1.32 -2.62 116.57 116.86 1spq h LYS 187 Ca 0.23 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1spq h LYS 187 Cb 0.26 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1spq h LYS 187 CO -0.01 0.84 0.11 -0.07 -0.57 0.00 0.00 179.45 179.75 1spq h LEU 188 N 0.29 1.04 -0.68 2.94 3.38 -1.21 -1.73 115.31 119.34 1spq h LEU 188 Ca 0.00 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 1spq h LEU 188 Cb 1.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1spq h LEU 188 CO 0.10 1.02 -0.26 -0.09 0.09 0.00 0.00 178.44 179.30 1spq h ARG 189 N 1.02 0.75 -0.23 1.13 2.43 -1.40 -2.51 114.38 115.57 1spq h ARG 189 Ca 0.20 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1spq h ARG 189 Cb 0.43 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1spq h ARG 189 CO 0.01 0.93 -0.03 0.78 -1.51 0.00 0.00 179.97 180.15 1spq h GLY 190 N 0.96 0.37 0.91 2.80 0.00 -1.28 -2.05 103.07 104.79 1spq h GLY 190 Ca 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1spq h GLY 190 CO 0.06 0.19 0.10 -0.25 0.00 0.00 0.00 176.54 176.64 1spq h TRP 191 N 0.34 0.54 -0.58 5.60 7.01 -1.08 -2.80 115.95 124.97 1spq h TRP 191 Ca 0.08 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1spq h TRP 191 Cb 0.27 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 1spq h TRP 191 CO 0.01 0.54 0.36 -0.07 -2.79 0.00 0.00 178.44 176.49 1spq h LEU 192 N 0.38 0.68 -0.45 0.65 3.38 -1.02 -2.05 115.31 116.88 1spq h LEU 192 Ca 0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1spq h LEU 192 Cb 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1spq h LEU 192 CO -0.00 0.51 0.10 0.50 0.09 0.00 0.00 178.44 179.64 1spq h LYS 193 N 0.79 0.72 0.16 1.13 3.64 -1.20 -1.20 116.57 120.61 1spq h LYS 193 Ca 0.21 -0.18 -0.27 0.00 -1.27 0.00 0.00 60.65 59.15 1spq h LYS 193 Cb -0.06 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1spq h LYS 193 CO -0.04 0.72 -1.28 0.66 -2.27 0.00 0.00 179.45 177.24 1spq h SER 194 N 0.59 0.53 0.22 4.20 4.64 -1.36 -3.34 113.55 119.03 1spq h SER 194 Ca 0.14 -0.91 0.00 0.00 -0.47 0.00 0.00 61.79 60.55 1spq h SER 194 Cb 0.33 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1spq h SER 194 CO 0.00 1.59 -0.64 1.41 -0.87 0.00 0.00 176.83 178.32 1spq n HIS 195 N -3.91 0.00 0.00 4.77 8.25 -0.78 -4.79 115.22 118.76 1spq n HIS 195 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1spq n HIS 195 Cb 0.94 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.93 1spq n HIS 195 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1spq n VAL 196 N -1.20 0.00 -3.58 1.59 0.31 -0.53 -5.04 118.33 109.87 1spq n VAL 196 Ca 0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.31 1spq n VAL 196 Cb 0.35 -0.02 -0.02 0.00 -0.91 0.00 0.00 33.84 33.25 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 -0.38 0.28 4.52 1.04 -0.73 -4.99 113.70 114.45 1spq s SER 197 Ca 0.00 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.24 1spq s SER 197 Cb 0.00 0.52 0.39 0.00 0.10 0.00 0.00 66.02 67.03 1spq s SER 197 CO 0.00 -0.89 1.87 -0.78 0.98 0.00 0.00 173.24 174.42 1spq h ASP 198 N 2.00 0.88 -0.42 7.02 1.82 -1.83 -2.41 116.42 123.48 1spq h ASP 198 Ca -0.26 -0.10 -0.04 0.00 -0.39 0.00 0.00 57.03 56.24 1spq h ASP 198 Cb 1.26 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 41.03 1spq h ASP 198 CO 0.31 0.76 0.11 0.00 -1.61 0.00 0.00 179.24 178.81 1spq h ALA 199 N 1.38 0.56 -0.60 -0.78 0.00 -1.95 -2.28 119.26 115.59 1spq h ALA 199 Ca 0.23 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1spq h ALA 199 Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1spq h ALA 199 CO -0.03 0.23 0.10 0.28 0.00 0.00 0.00 179.25 179.83 1spq h VAL 200 N 0.55 1.25 -0.73 0.00 2.07 -1.88 -2.75 116.25 114.76 1spq h VAL 200 Ca 0.13 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 1spq h VAL 200 Cb 0.30 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1spq h VAL 200 CO -0.00 0.36 0.24 0.00 0.02 0.00 0.00 177.57 178.18 1spq h ALA 201 N 1.19 0.95 0.00 1.67 0.00 -1.31 -2.67 119.26 119.09 1spq h ALA 201 Ca 0.19 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1spq h ALA 201 Cb 0.40 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1spq h ALA 201 CO 0.01 0.63 -0.51 1.96 0.00 0.00 0.00 179.25 181.33 1spq h GLN 202 N 1.07 0.00 0.00 0.00 4.20 -1.23 -3.35 115.11 115.81 1spq h GLN 202 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1spq h GLN 202 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1spq h GLN 202 CO -0.01 0.51 -1.00 -1.13 -0.67 0.00 0.00 178.83 176.53 1spq n SER 203 N -3.80 0.84 -4.69 1.46 3.41 -1.05 -4.72 113.62 105.08 1spq n SER 203 Ca -0.01 -0.71 -0.40 0.00 -0.26 0.00 0.00 58.87 57.49 1spq n SER 203 Cb 0.55 1.16 -0.06 0.00 -0.26 0.00 0.00 64.21 65.60 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 5.06 0.14 6.66 2.01 -1.02 -4.89 115.64 120.88 1spq s THR 204 Ca 0.04 1.21 -0.30 0.00 0.31 0.00 0.00 61.69 62.95 1spq s THR 204 Cb 0.12 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.61 1spq s THR 204 CO 0.70 0.19 1.22 -0.13 -0.69 0.00 0.00 174.62 175.90 1spq s ARG 205 N 1.39 4.45 -0.23 4.92 3.00 -1.26 -5.01 118.95 126.21 1spq s ARG 205 Ca 0.30 1.86 0.01 0.00 0.00 0.00 0.00 55.73 57.91 1spq s ARG 205 Cb -0.16 -3.28 0.05 0.00 0.00 0.00 0.00 34.95 31.57 1spq s ARG 205 CO 0.12 -0.18 -0.08 0.42 0.00 0.00 0.00 175.30 175.58 1spq s ILE 206 N 0.43 1.69 0.14 1.52 1.01 -1.26 -2.24 121.20 122.49 1spq s ILE 206 Ca 0.56 -1.24 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1spq s ILE 206 Cb -0.32 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1spq s ILE 206 CO 0.33 -0.01 0.11 0.27 0.00 0.00 0.00 174.94 175.64 1spq s ILE 207 N 1.34 4.40 -0.16 2.92 -4.36 -0.22 -1.49 121.20 123.62 1spq s ILE 207 Ca -0.05 -1.04 -0.12 0.00 -0.26 0.00 0.00 60.65 59.17 1spq s ILE 207 Cb -0.18 -3.21 -0.05 0.00 1.25 0.00 0.00 42.46 40.27 1spq s ILE 207 CO -0.07 -0.05 0.24 -0.47 0.24 0.00 0.00 174.94 174.84 1spq s TYR 208 N -1.65 3.46 -0.13 1.37 5.04 -0.47 -1.41 117.35 123.56 1spq s TYR 208 Ca 0.30 0.53 0.12 0.00 -2.44 0.00 0.00 57.07 55.58 1spq s TYR 208 Cb -0.10 -2.27 0.21 0.00 0.35 0.00 0.00 41.96 40.15 1spq s TYR 208 CO 0.22 0.30 1.12 0.41 -1.34 0.00 0.00 175.55 176.26 1spq n GLY 209 N 3.29 4.08 0.00 8.97 0.00 0.89 -1.68 105.19 120.74 1spq n GLY 209 Ca -0.14 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.96 -1.60 3.62 -0.02 0.00 -1.25 -4.69 105.19 100.29 1spq n GLY 210 Ca 0.11 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.29 6.42 -0.16 1.61 0.15 -1.26 -4.80 113.70 114.36 1spq s SER 211 Ca 0.00 1.30 0.01 0.00 0.70 0.00 0.00 55.95 57.96 1spq s SER 211 Cb 0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1spq s SER 211 CO 0.00 -1.28 -0.17 -0.69 1.20 0.00 0.00 173.24 172.30 1spq s VAL 212 N 5.14 2.44 0.36 4.45 1.01 -1.26 -5.02 120.40 127.52 1spq s VAL 212 Ca 0.65 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1spq s VAL 212 Cb -0.20 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1spq s VAL 212 CO 0.28 0.52 0.08 0.42 0.00 0.00 0.00 175.10 176.40 1spq s THR 213 N 0.98 1.01 0.54 3.92 -4.23 -1.26 -4.62 115.64 111.97 1spq s THR 213 Ca -0.03 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.78 1spq s THR 213 Cb -0.15 -2.64 0.34 0.00 1.34 0.00 0.00 72.50 71.40 1spq s THR 213 CO -0.04 0.00 2.21 1.23 -0.54 0.00 0.00 174.62 177.48 1spq h GLY 214 N 1.99 0.00 1.92 3.99 0.00 -1.97 -2.64 103.07 106.36 1spq h GLY 214 Ca -0.39 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.72 1spq h GLY 214 CO 0.66 0.00 -1.02 -1.33 0.00 0.00 0.00 176.54 174.85 1spq h GLY 215 N 0.23 0.07 -0.79 4.60 0.00 -1.98 -3.38 103.07 101.84 1spq h GLY 215 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1spq h GLY 215 CO 0.00 0.16 -0.14 1.16 0.00 0.00 0.00 176.54 177.72 1spq n ASN 216 N -3.42 1.70 0.12 0.19 0.23 -1.12 -4.72 115.26 108.22 1spq n ASN 216 Ca -0.02 -1.35 -0.01 0.00 -0.53 0.00 0.00 54.58 52.67 1spq n ASN 216 Cb 0.93 0.26 0.23 0.00 -2.08 0.00 0.00 39.78 39.12 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 0.13 0.06 -0.75 0.00 3.64 -1.85 -1.77 116.57 116.04 1spq h LYS 218 Ca 0.01 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1spq h LYS 218 Cb 0.86 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1spq h LYS 218 CO 0.07 0.51 0.28 1.49 -2.27 0.00 0.00 179.45 179.53 1spq h GLU 219 N -0.40 1.12 -0.76 1.90 4.81 -1.91 -2.39 114.58 116.96 1spq h GLU 219 Ca 0.00 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1spq h GLU 219 Cb 0.50 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1spq h GLU 219 CO 0.01 0.92 0.49 -0.07 -0.73 0.00 0.00 179.01 179.63 1spq h LEU 220 N 1.09 0.88 -1.34 1.64 3.38 -1.51 -3.03 115.31 116.42 1spq h LEU 220 Ca 0.25 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1spq h LEU 220 Cb 0.23 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1spq h LEU 220 CO -0.02 0.65 -0.02 0.00 0.09 0.00 0.00 178.44 179.14 1spq h ALA 221 N 1.27 1.00 0.00 1.53 0.00 -0.83 -2.95 119.26 119.29 1spq h ALA 221 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1spq h ALA 221 Cb -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1spq h ALA 221 CO -0.06 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 1spq n SER 222 N -3.12 0.00 -4.77 0.00 3.41 -1.00 -4.87 113.62 103.26 1spq n SER 222 Ca 0.01 -0.01 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 1spq n SER 222 Cb 0.33 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -2.65 4.33 0.48 4.33 -1.52 -1.12 -4.94 119.66 118.57 1spq s GLN 223 Ca 0.25 1.74 0.19 0.00 -1.95 0.00 0.00 55.36 55.59 1spq s GLN 223 Cb 0.20 -2.85 1.19 0.00 -0.22 0.00 0.00 33.01 31.33 1spq s GLN 223 CO 0.47 -0.05 2.05 0.45 -0.25 0.00 0.00 175.29 177.95 1spq h HIS 224 N 3.09 0.00 -0.15 0.91 3.86 -1.91 -2.88 115.15 118.06 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 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1spq h HIS 224 CO 0.57 0.14 0.00 -0.25 0.86 0.00 0.00 177.93 179.25 1spq n ASP 225 N -4.16 2.38 -4.60 2.45 8.00 -1.26 -4.95 116.55 114.40 1spq n ASP 225 Ca -0.02 -1.97 -0.40 0.00 0.71 0.00 0.00 54.79 53.11 1spq n ASP 225 Cb 0.21 -0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 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 -0.98 5.14 -1.42 2.53 1.01 -1.09 -4.72 120.40 120.87 1spq s VAL 226 Ca 0.10 0.57 0.18 0.00 0.00 0.00 0.00 61.98 62.83 1spq s VAL 226 Cb 0.05 -3.75 0.53 0.00 0.00 0.00 0.00 36.38 33.21 1spq s VAL 226 CO 0.07 0.10 1.45 0.47 0.00 0.00 0.00 175.10 177.18 1spq n ASP 227 N 5.41 3.70 0.00 3.32 8.00 -0.56 -4.78 116.55 131.63 1spq n ASP 227 Ca -0.07 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.33 1spq n ASP 227 Cb 0.50 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 1.10 0.84 3.10 0.44 0.00 -1.26 -1.59 105.19 107.81 1spq n GLY 228 Ca 0.20 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.17 0.16 -0.30 1.61 0.08 -0.56 -1.37 117.98 114.43 1spq s PHE 229 Ca 0.00 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 1spq s PHE 229 Cb 0.00 -0.12 0.05 0.00 -0.57 0.00 0.00 43.02 42.38 1spq s PHE 229 CO 0.00 -0.32 -0.00 -1.17 -0.10 0.00 0.00 175.22 173.63 1spq s LEU 230 N -1.81 3.82 -0.09 -0.37 2.96 -0.68 -1.33 118.68 121.19 1spq s LEU 230 Ca -0.09 -1.21 -0.11 0.00 -0.22 0.00 0.00 54.13 52.50 1spq s LEU 230 Cb -0.04 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 1spq s LEU 230 CO -0.02 -0.25 0.25 -0.69 -1.32 0.00 0.00 176.35 174.33 1spq s VAL 231 N 1.27 5.31 0.00 1.68 1.01 -0.14 -4.43 120.40 125.10 1spq s VAL 231 Ca -0.04 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1spq s VAL 231 Cb -0.19 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1spq s VAL 231 CO -0.01 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1spq n GLY 232 N 2.18 0.63 0.37 4.51 0.00 -1.26 -0.63 105.19 110.99 1spq n GLY 232 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 1.03 2.00 -0.02 0.00 -1.92 -1.54 103.07 102.62 1spq h GLY 233 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1spq h GLY 233 CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 176.54 176.64 1spq h ALA 234 N 1.61 1.00 0.00 3.60 0.00 -1.89 -2.84 119.26 120.74 1spq h ALA 234 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1spq h ALA 234 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1spq h ALA 234 CO -0.17 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.95 1spq n SER 235 N -3.01 0.59 -0.39 0.00 3.41 -0.58 -2.15 113.62 111.49 1spq n SER 235 Ca 0.00 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 1spq n SER 235 Cb 0.25 -0.81 0.34 0.00 -0.26 0.00 0.00 64.21 63.73 1spq n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1spq n LEU 236 N -2.22 1.43 -4.66 1.04 4.77 -1.07 -4.92 117.00 111.38 1spq n LEU 236 Ca 0.00 -0.45 -0.24 0.00 -0.03 0.00 0.00 56.01 55.30 1spq n LEU 236 Cb 0.12 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1spq n LEU 236 CO 0.14 0.26 -0.28 -0.54 -1.33 0.00 0.00 177.39 175.63 1spq s LYS 237 N -2.34 2.18 0.60 3.23 1.02 -0.91 -5.00 119.74 118.52 1spq s LYS 237 Ca 0.27 -1.64 0.30 0.00 0.02 0.00 0.00 55.97 54.92 1spq s LYS 237 Cb 0.20 -2.03 1.68 0.00 -0.52 0.00 0.00 37.83 37.16 1spq s LYS 237 CO 0.47 0.18 2.08 -1.35 -0.92 0.00 0.00 175.35 175.81 1spq h PRO 238 N 1.77 0.00 0.00 -1.68 0.11 -1.93 -2.94 132.00 127.33 1spq h PRO 238 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1spq h PRO 238 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1spq h PRO 238 CO 0.64 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.58 1spq n GLU 239 N -3.68 0.09 -0.29 1.05 0.28 -1.26 -2.60 120.64 114.23 1spq n GLU 239 Ca 0.02 0.39 0.16 0.00 -0.16 0.00 0.00 57.16 57.56 1spq n GLU 239 Cb 0.35 -1.69 0.42 0.00 1.43 0.00 0.00 31.44 31.94 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 0.77 -0.40 -1.84 3.57 -1.60 -2.03 116.94 115.41 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 0.23 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1spq h PHE 240 CO 0.00 0.21 0.25 0.28 -2.23 0.00 0.00 178.31 176.83 1spq h VAL 241 N 0.59 1.08 -0.31 1.41 2.07 -1.77 -2.06 116.25 117.26 1spq h VAL 241 Ca 0.50 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.81 1spq h VAL 241 Cb 0.98 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1spq h VAL 241 CO -0.24 0.09 0.07 0.44 0.02 0.00 0.00 177.57 177.95 1spq h ASP 242 N 0.51 0.40 -0.21 0.57 3.32 -1.58 -2.83 116.42 116.62 1spq h ASP 242 Ca 0.15 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 1spq h ASP 242 Cb -0.03 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1spq h ASP 242 CO -0.05 0.42 -0.51 0.40 -1.72 0.00 0.00 179.24 177.77 1spq h ILE 243 N 0.44 1.29 -0.76 0.35 2.04 -1.15 -2.71 117.51 117.00 1spq h ILE 243 Ca 0.11 -1.71 0.08 0.00 1.00 0.00 0.00 64.86 64.33 1spq h ILE 243 Cb 0.18 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1spq h ILE 243 CO -0.00 0.55 0.50 0.40 0.00 0.00 0.00 178.15 179.60 1spq h ILE 244 N 0.61 1.00 -0.73 -0.67 2.04 -1.15 -2.72 117.51 115.88 1spq h ILE 244 Ca 0.02 -0.26 -0.36 0.00 1.00 0.00 0.00 64.86 65.26 1spq h ILE 244 Cb 1.10 0.17 -0.21 0.00 -0.74 0.00 0.00 36.82 37.13 1spq h ILE 244 CO 0.11 0.14 0.45 0.59 0.00 0.00 0.00 178.15 179.44 1spq n ASN 245 N -4.49 3.68 0.28 1.72 3.02 -1.03 -4.71 115.26 113.73 1spq n ASN 245 Ca 0.12 -3.18 0.16 0.00 -0.03 0.00 0.00 54.58 51.65 1spq n ASN 245 Cb 0.26 -0.75 0.83 0.00 -0.61 0.00 0.00 39.78 39.51 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 1.47 1.18 -0.01 5.41 0.00 -1.38 -2.87 119.26 123.07 1spq h ALA 246 Ca 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1spq h ALA 246 Cb 2.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.13 1spq h ALA 246 CO 0.80 0.09 -0.30 1.63 0.00 0.00 0.00 179.25 181.47 1spq n LYS 247 N -3.43 0.90 0.00 0.00 5.02 -1.26 -4.49 118.16 114.90 1spq n LYS 247 Ca -0.02 -0.58 0.13 0.00 -2.02 0.00 0.00 58.31 55.83 1spq n LYS 247 Cb 0.21 -1.49 0.40 0.00 -0.02 0.00 0.00 35.03 34.13 1spq n LYS 247 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60