#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqa n PRO -1 N 0.00 0.14 0.08 -0.67 -0.04 -1.26 -1.43 135.00 131.82 3dqa n PRO -1 Ca 0.00 0.54 -0.12 0.00 -0.04 0.00 0.00 63.50 63.88 3dqa n PRO -1 Cb 0.00 -1.87 -0.08 0.00 -0.04 0.00 0.00 33.50 31.50 3dqa n PRO -1 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 3dqa h MET 0 N 0.00 -0.24 -0.96 0.54 -1.53 -2.03 -3.05 114.93 107.66 3dqa h MET 0 Ca 0.00 0.02 0.18 0.00 -3.44 0.00 0.00 59.70 56.46 3dqa h MET 0 Cb 0.12 0.05 -0.10 0.00 -0.55 0.00 0.00 31.60 31.12 3dqa h MET 0 CO 0.00 0.16 0.55 0.28 0.14 0.00 0.00 176.91 178.05 3dqa h VAL 1 N -0.75 0.70 -0.41 -5.77 2.07 -1.67 -2.44 116.25 107.97 3dqa h VAL 1 Ca -0.03 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.34 3dqa h VAL 1 Cb 0.51 -0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.12 3dqa h VAL 1 CO 0.04 0.13 -0.22 -1.28 0.02 0.00 0.00 177.57 176.26 3dqa h SER 2 N 0.71 -0.74 0.55 0.57 0.87 -1.29 -2.88 113.55 111.33 3dqa h SER 2 Ca 0.55 0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 61.25 3dqa h SER 2 Cb 0.84 0.39 0.01 0.00 -0.44 0.00 0.00 62.40 63.20 3dqa h SER 2 CO -0.39 -0.25 -0.26 0.50 -0.53 0.00 0.00 176.83 175.90 3dqa h LYS 3 N -0.14 -0.71 -0.44 2.24 3.64 -1.32 0.19 116.57 120.03 3dqa h LYS 3 Ca 0.20 0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 3dqa h LYS 3 Cb 0.45 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3dqa h LYS 3 CO -0.50 -0.42 -0.21 0.78 -2.27 0.00 0.00 179.45 176.83 3dqa h GLY 4 N -0.88 1.00 -0.52 5.01 0.00 -1.71 -2.88 103.07 103.10 3dqa h GLY 4 Ca -0.08 -0.90 0.05 0.00 0.00 0.00 0.00 47.33 46.40 3dqa h GLY 4 CO 0.12 0.82 -0.45 -2.09 0.00 0.00 0.00 176.54 174.95 3dqa h GLU 5 N 0.76 -0.17 0.00 4.80 4.81 -1.50 -2.38 114.58 120.91 3dqa h GLU 5 Ca 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3dqa h GLU 5 Cb 0.78 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3dqa h GLU 5 CO 0.06 -0.11 0.00 0.39 -0.73 0.00 0.00 179.01 178.62 3dqa n GLU 6 N -4.77 0.06 0.11 1.92 1.02 0.67 -0.78 120.64 118.88 3dqa n GLU 6 Ca -0.01 0.48 0.09 0.00 -0.02 0.00 0.00 57.16 57.70 3dqa n GLU 6 Cb 0.24 -1.67 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 3dqa n GLU 6 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3dqa h LEU 7 N 0.00 0.00 -3.00 -4.62 3.38 -1.28 -3.40 115.31 106.39 3dqa h LEU 7 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dqa h LEU 7 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dqa h LEU 7 CO 0.00 0.15 0.00 0.49 0.09 0.00 0.00 178.44 179.17 3dqa n PHE 8 N -2.81 0.09 0.17 1.13 3.01 0.04 -4.82 117.46 114.26 3dqa n PHE 8 Ca -0.01 -0.61 0.02 0.00 1.01 0.00 0.00 57.45 57.86 3dqa n PHE 8 Cb 0.62 -0.08 0.29 0.00 -0.01 0.00 0.00 39.48 40.30 3dqa n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dqa h THR 9 N 0.30 1.22 -2.45 4.37 1.35 -1.75 -3.35 112.91 112.59 3dqa h THR 9 Ca 0.00 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 3dqa h THR 9 Cb 0.66 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 3dqa h THR 9 CO 0.01 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3dqa n GLY 10 N 0.00 6.47 3.72 5.82 0.00 -1.26 -4.72 105.19 115.23 3dqa n GLY 10 Ca -0.01 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 3dqa n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dqa s VAL 11 N 1.39 4.98 -0.19 1.61 1.01 -1.26 -4.47 120.40 123.48 3dqa s VAL 11 Ca 0.00 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.51 3dqa s VAL 11 Cb 0.00 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 3dqa s VAL 11 CO 0.00 0.26 -0.10 -0.69 0.00 0.00 0.00 175.10 174.57 3dqa s VAL 12 N 0.71 3.01 0.53 2.92 1.01 0.52 -4.96 120.40 124.14 3dqa s VAL 12 Ca 0.40 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 3dqa s VAL 12 Cb -0.19 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 3dqa s VAL 12 CO 0.20 0.47 1.23 -2.16 0.00 0.00 0.00 175.10 174.84 3dqa s PRO 13 N 1.14 3.30 0.01 2.72 0.04 -1.26 -1.08 135.00 139.88 3dqa s PRO 13 Ca 0.01 1.90 0.05 0.00 0.04 0.00 0.00 61.00 63.00 3dqa s PRO 13 Cb -0.14 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 3dqa s PRO 13 CO -0.03 -0.96 -0.15 0.42 0.04 0.00 0.00 177.00 176.32 3dqa s ILE 14 N -1.51 1.21 -0.05 0.56 1.01 0.09 -1.35 121.20 121.15 3dqa s ILE 14 Ca 0.71 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 60.57 3dqa s ILE 14 Cb -0.32 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.10 3dqa s ILE 14 CO 0.37 0.20 -0.19 -0.22 0.00 0.00 0.00 174.94 175.10 3dqa s LEU 15 N -0.74 1.93 -0.03 2.97 2.96 -0.57 -2.06 118.68 123.13 3dqa s LEU 15 Ca 0.04 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3dqa s LEU 15 Cb -0.07 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 3dqa s LEU 15 CO 0.00 0.16 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.30 3dqa s VAL 16 N 0.10 1.65 -0.07 1.68 1.01 0.80 -1.54 120.40 124.03 3dqa s VAL 16 Ca -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3dqa s VAL 16 Cb -0.13 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.88 3dqa s VAL 16 CO 0.03 0.47 -0.06 -1.61 0.00 0.00 0.00 175.10 173.93 3dqa s GLU 17 N -0.25 1.16 -0.09 2.72 0.41 -0.02 0.01 118.70 122.63 3dqa s GLU 17 Ca 0.02 -0.17 0.02 0.00 -0.41 0.00 0.00 54.97 54.44 3dqa s GLU 17 Cb -0.10 -1.19 0.01 0.00 -1.78 0.00 0.00 34.13 31.07 3dqa s GLU 17 CO 0.01 -0.15 -0.16 -1.17 -0.49 0.00 0.00 175.26 173.30 3dqa s LEU 18 N 1.29 1.77 -0.21 1.80 0.20 0.15 0.32 118.68 124.00 3dqa s LEU 18 Ca -0.04 -0.41 -0.06 0.00 0.69 0.00 0.00 54.13 54.31 3dqa s LEU 18 Cb -0.14 -1.07 -0.03 0.00 -0.43 0.00 0.00 46.19 44.53 3dqa s LEU 18 CO -0.02 0.05 0.02 -1.81 -0.29 0.00 0.00 176.35 174.29 3dqa s ASP 19 N 0.75 4.91 0.05 3.68 1.01 -0.51 -0.52 116.67 126.04 3dqa s ASP 19 Ca -0.12 -0.20 0.06 0.00 0.71 0.00 0.00 52.55 53.01 3dqa s ASP 19 Cb -0.16 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 3dqa s ASP 19 CO 0.02 0.04 -0.18 -0.83 0.21 0.00 0.00 175.17 174.43 3dqa s GLY 20 N 1.14 1.01 -0.23 0.21 0.00 0.18 -0.43 107.32 109.19 3dqa s GLY 20 Ca 0.03 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 43.72 3dqa s GLY 20 CO 0.02 -0.97 0.27 -0.35 0.00 0.00 0.00 173.10 172.08 3dqa s ASP 21 N -1.32 1.13 -0.25 1.64 -1.08 -0.68 -0.93 116.67 115.17 3dqa s ASP 21 Ca 0.05 -0.19 -0.01 0.00 -0.52 0.00 0.00 52.55 51.88 3dqa s ASP 21 Cb -0.09 0.59 0.03 0.00 -1.46 0.00 0.00 42.92 42.00 3dqa s ASP 21 CO 0.02 -0.33 -0.06 -0.69 0.52 0.00 0.00 175.17 174.63 3dqa s VAL 22 N 2.39 2.81 -1.39 1.11 1.01 -0.55 -0.07 120.40 125.71 3dqa s VAL 22 Ca 0.09 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 3dqa s VAL 22 Cb -0.15 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.80 3dqa s VAL 22 CO -0.16 0.17 0.40 0.59 0.00 0.00 0.00 175.10 176.09 3dqa n ASN 23 N 4.65 -4.82 -0.06 3.32 4.13 -0.46 -0.99 115.26 121.02 3dqa n ASN 23 Ca -0.16 -0.21 -0.01 0.00 1.68 0.00 0.00 54.58 55.88 3dqa n ASN 23 Cb 0.46 -3.97 -0.00 0.00 -1.54 0.00 0.00 39.78 34.73 3dqa n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dqa n GLY 24 N -1.22 0.38 3.54 7.41 0.00 -1.26 -4.99 105.19 109.05 3dqa n GLY 24 Ca -0.10 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3dqa n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dqa s HIS 25 N -1.70 2.77 0.18 1.61 3.76 -0.16 -5.04 115.29 116.72 3dqa s HIS 25 Ca 0.00 0.10 -0.07 0.00 -0.15 0.00 0.00 55.06 54.94 3dqa s HIS 25 Cb 0.00 -4.14 -0.06 0.00 1.11 0.00 0.00 32.58 29.49 3dqa s HIS 25 CO 0.00 -1.37 0.45 0.15 -0.85 0.00 0.00 174.74 173.12 3dqa s LYS 26 N 4.10 3.69 -0.07 1.40 1.02 -1.26 -1.48 119.74 127.14 3dqa s LYS 26 Ca 0.33 0.05 -0.29 0.00 0.02 0.00 0.00 55.97 56.08 3dqa s LYS 26 Cb -0.11 -2.76 0.10 0.00 -0.52 0.00 0.00 37.83 34.54 3dqa s LYS 26 CO 0.21 0.40 0.85 -0.59 -0.92 0.00 0.00 175.35 175.29 3dqa s PHE 27 N -1.74 -0.47 -0.02 3.18 -0.71 -0.11 -4.95 117.98 113.16 3dqa s PHE 27 Ca 0.44 0.66 0.06 0.00 -1.04 0.00 0.00 56.93 57.05 3dqa s PHE 27 Cb -0.12 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.14 3dqa s PHE 27 CO 0.24 -0.51 -0.21 -1.12 -1.34 0.00 0.00 175.22 172.28 3dqa s SER 28 N -1.56 2.46 -0.02 1.98 0.01 -1.26 0.49 113.70 115.79 3dqa s SER 28 Ca -0.03 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 56.90 3dqa s SER 28 Cb -0.00 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 3dqa s SER 28 CO 0.01 0.25 -0.18 -0.69 0.41 0.00 0.00 173.24 173.04 3dqa s VAL 29 N -0.44 1.41 -0.09 3.43 1.01 0.32 -1.53 120.40 124.51 3dqa s VAL 29 Ca 0.07 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 3dqa s VAL 29 Cb -0.09 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3dqa s VAL 29 CO -0.00 0.40 -0.06 -0.44 0.00 0.00 0.00 175.10 174.99 3dqa s SER 30 N -0.37 4.65 0.12 3.32 0.01 -0.44 0.34 113.70 121.33 3dqa s SER 30 Ca 0.06 -0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.32 3dqa s SER 30 Cb -0.07 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.77 3dqa s SER 30 CO -0.00 0.31 -0.15 -0.83 0.41 0.00 0.00 173.24 172.97 3dqa s GLY 31 N -0.47 1.10 -0.01 3.44 0.00 0.10 -0.34 107.32 111.15 3dqa s GLY 31 Ca 0.07 -1.27 -0.04 0.00 0.00 0.00 0.00 44.72 43.47 3dqa s GLY 31 CO 0.02 -1.32 0.08 -0.54 0.00 0.00 0.00 173.10 171.34 3dqa s GLU 32 N -2.50 0.33 0.00 2.90 2.02 -0.65 -0.14 118.70 120.66 3dqa s GLU 32 Ca 0.08 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.79 3dqa s GLU 32 Cb -0.06 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.30 3dqa s GLU 32 CO 0.03 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.66 3dqa n GLY 33 N 1.98 -0.65 3.46 -1.39 0.00 -0.87 -0.66 105.19 107.06 3dqa n GLY 33 Ca -0.20 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 3dqa n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dqa s GLU 34 N -0.93 0.92 0.10 1.61 -1.05 -0.21 -0.73 118.70 118.42 3dqa s GLU 34 Ca 0.00 0.27 0.10 0.00 -0.15 0.00 0.00 54.97 55.19 3dqa s GLU 34 Cb 0.00 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 3dqa s GLU 34 CO 0.00 -0.26 -0.27 0.20 0.95 0.00 0.00 175.26 175.89 3dqa s GLY 35 N -0.96 1.51 -0.35 -3.83 0.00 -0.24 -1.23 107.32 102.22 3dqa s GLY 35 Ca -0.10 -1.40 -0.01 0.00 0.00 0.00 0.00 44.72 43.22 3dqa s GLY 35 CO 0.07 -1.35 0.18 -0.35 0.00 0.00 0.00 173.10 171.65 3dqa s ASP 36 N -1.80 3.36 0.47 1.64 2.15 0.19 -0.36 116.67 122.32 3dqa s ASP 36 Ca 0.13 -1.98 0.23 0.00 0.43 0.00 0.00 52.55 51.36 3dqa s ASP 36 Cb -0.10 -0.56 1.18 0.00 -0.30 0.00 0.00 42.92 43.15 3dqa s ASP 36 CO 0.05 -0.35 1.98 0.00 -0.17 0.00 0.00 175.17 176.68 3dqa h ALA 37 N 7.43 1.28 -0.94 3.66 0.00 -1.76 -1.50 119.26 127.44 3dqa h ALA 37 Ca -0.04 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.86 3dqa h ALA 37 Cb 0.98 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 3dqa h ALA 37 CO 0.37 0.24 0.60 1.15 0.00 0.00 0.00 179.25 181.61 3dqa h THR 38 N 0.00 0.77 -0.35 0.00 2.02 -1.85 -2.19 112.91 111.31 3dqa h THR 38 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3dqa h THR 38 Cb 0.47 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3dqa h THR 38 CO 0.03 0.12 0.00 -1.22 0.37 0.00 0.00 175.52 174.82 3dqa n TYR 39 N -4.60 0.46 -2.46 3.16 4.01 -0.66 -4.94 117.16 112.13 3dqa n TYR 39 Ca 0.20 -0.36 -0.20 0.00 -0.16 0.00 0.00 57.90 57.37 3dqa n TYR 39 Cb 0.54 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.55 3dqa n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dqa n GLY 40 N 0.89 -0.46 3.52 2.72 0.00 -0.82 -4.72 105.19 106.32 3dqa n GLY 40 Ca 0.14 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3dqa n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqa s LYS 41 N -5.08 3.76 0.01 1.61 2.20 -0.66 -0.35 119.74 121.22 3dqa s LYS 41 Ca 0.04 -0.45 0.05 0.00 -0.36 0.00 0.00 55.97 55.24 3dqa s LYS 41 Cb -0.02 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 3dqa s LYS 41 CO 0.05 0.12 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.50 3dqa s LEU 42 N 0.74 2.09 -0.14 5.43 1.02 -0.24 -0.64 118.68 126.94 3dqa s LEU 42 Ca 0.01 -0.35 -0.00 0.00 0.02 0.00 0.00 54.13 53.81 3dqa s LEU 42 Cb -0.14 -0.72 0.03 0.00 0.02 0.00 0.00 46.19 45.38 3dqa s LEU 42 CO 0.02 0.13 -0.09 -0.89 0.02 0.00 0.00 176.35 175.54 3dqa s THR 43 N -0.56 1.21 0.00 5.49 2.01 -0.37 -1.77 115.64 121.66 3dqa s THR 43 Ca 0.04 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.56 3dqa s THR 43 Cb -0.07 -1.24 -0.00 0.00 0.01 0.00 0.00 72.50 71.20 3dqa s THR 43 CO 0.00 0.33 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.49 3dqa s LEU 44 N 1.62 2.06 -0.10 4.42 1.43 -0.15 -1.04 118.68 126.92 3dqa s LEU 44 Ca 0.04 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3dqa s LEU 44 Cb -0.13 0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.10 3dqa s LEU 44 CO -0.09 -0.07 -0.21 -0.75 0.23 0.00 0.00 176.35 175.46 3dqa s LYS 45 N -0.35 2.81 -0.02 1.70 2.20 0.17 -0.51 119.74 125.75 3dqa s LYS 45 Ca -0.04 -0.79 0.03 0.00 -0.36 0.00 0.00 55.97 54.81 3dqa s LYS 45 Cb -0.02 -2.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.08 3dqa s LYS 45 CO -0.00 0.10 -0.09 -0.06 -0.36 0.00 0.00 175.35 174.95 3dqa s PHE 46 N 0.52 2.85 -0.05 4.03 0.08 0.70 -1.64 117.98 124.47 3dqa s PHE 46 Ca -0.15 -0.06 0.02 0.00 0.12 0.00 0.00 56.93 56.86 3dqa s PHE 46 Cb -0.17 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 3dqa s PHE 46 CO 0.05 0.33 -0.10 0.42 -0.10 0.00 0.00 175.22 175.82 3dqa s ILE 47 N -0.91 0.96 -0.47 0.64 1.01 0.54 -0.86 121.20 122.11 3dqa s ILE 47 Ca 0.15 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 3dqa s ILE 47 Cb -0.11 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.50 3dqa s ILE 47 CO 0.05 0.31 1.12 0.00 0.00 0.00 0.00 174.94 176.42 3dqa n THR 49 N 6.76 0.02 -0.29 0.00 -2.24 -0.58 -3.71 114.28 114.24 3dqa n THR 49 Ca 0.12 -0.01 0.11 0.00 -2.27 0.00 0.00 64.05 62.00 3dqa n THR 49 Cb 0.49 -0.37 0.30 0.00 -2.10 0.00 0.00 70.33 68.65 3dqa n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dqa n THR 50 N -1.53 0.95 0.00 4.28 -2.24 -1.25 -5.01 114.28 109.47 3dqa n THR 50 Ca 0.07 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3dqa n THR 50 Cb 0.34 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3dqa n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dqa n GLY 51 N 1.56 0.61 3.71 3.38 0.00 -1.24 -4.99 105.19 108.22 3dqa n GLY 51 Ca 0.23 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3dqa n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqa s LYS 52 N 0.00 4.58 -0.05 1.61 2.20 -1.26 -4.39 119.74 122.43 3dqa s LYS 52 Ca 0.00 1.45 -0.30 0.00 -0.36 0.00 0.00 55.97 56.76 3dqa s LYS 52 Cb 0.00 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 3dqa s LYS 52 CO 0.00 -0.01 1.37 -1.17 -0.36 0.00 0.00 175.35 175.18 3dqa s LEU 53 N 0.82 4.28 0.00 5.43 2.96 -1.26 -4.92 118.68 125.99 3dqa s LEU 53 Ca 0.51 2.00 0.15 0.00 -0.22 0.00 0.00 54.13 56.57 3dqa s LEU 53 Cb -0.22 -3.55 0.77 0.00 0.50 0.00 0.00 46.19 43.69 3dqa s LEU 53 CO 0.28 -0.73 1.52 -0.81 -1.32 0.00 0.00 176.35 175.29 3dqa n PRO 54 N 5.80 1.21 -4.24 0.98 -0.04 -1.26 -4.77 135.00 132.68 3dqa n PRO 54 Ca 0.13 -0.32 -0.14 0.00 -0.04 0.00 0.00 63.50 63.14 3dqa n PRO 54 Cb 0.44 -1.26 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 3dqa n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dqa s VAL 55 N -1.92 0.64 0.23 0.52 -7.23 -1.26 -4.54 120.40 106.84 3dqa s VAL 55 Ca 0.23 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 3dqa s VAL 55 Cb 0.11 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.80 3dqa s VAL 55 CO 0.18 -0.43 1.28 -2.84 -0.31 0.00 0.00 175.10 172.98 3dqa s PRO 56 N -3.93 4.42 0.29 4.82 0.02 -1.26 -4.94 135.00 134.41 3dqa s PRO 56 Ca 0.25 2.05 0.03 0.00 0.02 0.00 0.00 61.00 63.35 3dqa s PRO 56 Cb 0.06 -3.17 0.64 0.00 0.02 0.00 0.00 34.50 32.06 3dqa s PRO 56 CO 0.05 -0.18 1.78 -1.49 -0.33 0.00 0.00 177.00 176.83 3dqa h TRP 57 N 4.77 0.98 -0.56 6.54 4.06 -1.96 -0.87 115.95 128.92 3dqa h TRP 57 Ca -0.46 0.03 0.10 0.00 2.06 0.00 0.00 58.89 60.63 3dqa h TRP 57 Cb 1.22 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 29.05 3dqa h TRP 57 CO 0.60 0.25 0.38 -1.35 -3.56 0.00 0.00 178.44 174.76 3dqa h PRO 58 N 0.75 0.32 0.00 0.49 0.11 -1.90 -1.00 132.00 130.76 3dqa h PRO 58 Ca 0.53 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3dqa h PRO 58 Cb 0.76 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3dqa h PRO 58 CO -0.36 0.21 0.00 1.79 -0.21 0.00 0.00 178.00 179.43 3dqa h THR 59 N 0.32 0.00 -0.01 -1.15 1.35 -1.53 -2.84 112.91 109.05 3dqa h THR 59 Ca 0.26 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3dqa h THR 59 Cb 0.59 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3dqa h THR 59 CO -0.06 0.00 -0.57 0.18 -0.25 0.00 0.00 175.52 174.82 3dqa n LEU 60 N -2.89 1.60 -0.19 3.87 4.77 -0.38 -4.68 117.00 119.10 3dqa n LEU 60 Ca 0.00 -0.60 -0.02 0.00 -0.03 0.00 0.00 56.01 55.37 3dqa n LEU 60 Cb 0.25 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 3dqa n LEU 60 CO 0.24 0.31 0.74 0.58 -1.33 0.00 0.00 177.39 177.94 3dqa h VAL 61 N 1.61 0.41 -0.40 4.08 2.07 -1.47 -0.54 116.25 122.00 3dqa h VAL 61 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3dqa h VAL 61 Cb 0.65 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3dqa h VAL 61 CO 0.00 0.00 0.04 0.71 0.02 0.00 0.00 177.57 178.34 3dqa h THR 62 N -0.01 1.20 -0.05 2.57 1.35 -1.83 -2.94 112.91 113.19 3dqa h THR 62 Ca 0.28 -0.78 -0.03 0.00 -0.55 0.00 0.00 66.41 65.32 3dqa h THR 62 Cb 0.43 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3dqa h THR 62 CO -0.60 0.28 -0.10 0.74 -0.25 0.00 0.00 175.52 175.58 3dqa h THR 63 N 0.59 1.42 0.00 6.82 2.02 -1.54 -3.45 112.91 118.77 3dqa h THR 63 Ca 0.13 -1.41 -0.28 0.00 0.77 0.00 0.00 66.41 65.62 3dqa h THR 63 Cb 0.31 2.23 0.04 0.00 -1.74 0.00 0.00 68.15 68.99 3dqa h THR 63 CO 0.01 0.39 1.62 0.49 0.37 0.00 0.00 175.52 178.40 3dqa n PHE 64 N -4.67 0.56 0.00 3.16 3.72 -0.32 -5.07 117.46 114.84 3dqa n PHE 64 Ca -0.08 -1.02 0.00 0.00 -0.05 0.00 0.00 57.45 56.30 3dqa n PHE 64 Cb 0.35 -1.02 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 3dqa n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dqa n LEU 68 N 5.83 0.00 0.09 4.37 4.77 -1.26 -5.06 117.00 125.73 3dqa n LEU 68 Ca 0.26 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.32 3dqa n LEU 68 Cb 0.16 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.64 3dqa n LEU 68 CO 0.74 0.00 0.76 0.23 -1.33 0.00 0.00 177.39 177.80 3dqa n MET 69 N 0.00 0.11 0.18 3.23 2.81 -1.26 -1.95 117.12 120.24 3dqa n MET 69 Ca 0.00 0.45 0.12 0.00 -1.81 0.00 0.00 57.70 56.46 3dqa n MET 69 Cb 0.00 -1.75 0.64 0.00 -0.71 0.00 0.00 33.22 31.41 3dqa n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dqa n PHE 71 N -2.36 1.12 -1.77 0.00 3.72 -0.82 -4.68 117.46 112.67 3dqa n PHE 71 Ca -0.01 -0.52 -0.41 0.00 -0.05 0.00 0.00 57.45 56.46 3dqa n PHE 71 Cb 0.07 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 3dqa n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dqa n ALA 72 N 1.57 2.29 -2.65 4.37 0.00 -0.94 -4.08 120.51 121.07 3dqa n ALA 72 Ca 0.25 0.32 -0.43 0.00 0.00 0.00 0.00 53.44 53.59 3dqa n ALA 72 Cb 0.69 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 3dqa n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dqa s ARG 73 N -2.16 3.34 -0.28 0.00 3.52 0.44 -4.78 118.95 119.02 3dqa s ARG 73 Ca 0.55 -0.24 -0.24 0.00 -0.13 0.00 0.00 55.73 55.66 3dqa s ARG 73 Cb -0.47 -4.05 -0.00 0.00 -1.56 0.00 0.00 34.95 28.87 3dqa s ARG 73 CO 0.63 -1.47 0.80 0.71 -0.81 0.00 0.00 175.30 175.15 3dqa s TYR 74 N 3.94 3.24 0.65 5.12 1.51 -1.26 -1.06 117.35 129.48 3dqa s TYR 74 Ca 0.31 0.92 -0.17 0.00 -1.01 0.00 0.00 57.07 57.12 3dqa s TYR 74 Cb -0.12 -3.16 -0.05 0.00 -0.11 0.00 0.00 41.96 38.52 3dqa s TYR 74 CO 0.19 -0.51 0.69 -2.30 -1.11 0.00 0.00 175.55 172.52 3dqa n PRO 75 N 6.13 0.54 -0.24 -1.71 -0.02 -1.26 -4.72 135.00 133.71 3dqa n PRO 75 Ca 0.04 0.22 0.04 0.00 -2.02 0.00 0.00 63.50 61.79 3dqa n PRO 75 Cb 0.48 -1.92 0.15 0.00 -0.02 0.00 0.00 33.50 32.18 3dqa n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dqa h ASP 76 N 0.04 -0.29 0.30 2.55 3.58 -2.00 0.18 116.42 120.78 3dqa h ASP 76 Ca -0.47 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.17 3dqa h ASP 76 Cb 1.37 0.31 0.00 0.00 1.72 0.00 0.00 39.33 42.73 3dqa h ASP 76 CO 0.46 -0.15 0.00 0.00 -2.88 0.00 0.00 179.24 176.67 3dqa n HIS 77 N -5.31 0.09 0.15 0.28 1.44 -1.26 -2.47 115.22 108.13 3dqa n HIS 77 Ca 0.13 0.04 0.04 0.00 -2.01 0.00 0.00 57.72 55.92 3dqa n HIS 77 Cb 0.45 -0.56 0.07 0.00 0.12 0.00 0.00 29.99 30.06 3dqa n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dqa n MET 78 N -1.58 1.32 -0.24 -1.40 2.81 0.61 -4.73 117.12 113.90 3dqa n MET 78 Ca 0.02 -1.38 0.28 0.00 -1.81 0.00 0.00 57.70 54.80 3dqa n MET 78 Cb 0.10 -1.18 0.67 0.00 -0.71 0.00 0.00 33.22 32.10 3dqa n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dqa h LYS 79 N 1.60 0.11 0.00 0.03 1.79 -1.22 0.15 116.57 119.02 3dqa h LYS 79 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3dqa h LYS 79 Cb 0.49 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3dqa h LYS 79 CO 0.00 0.07 0.00 1.04 -1.08 0.00 0.00 179.45 179.48 3dqa n GLN 80 N -4.34 0.46 -0.26 3.15 6.02 -1.26 -2.85 117.38 118.31 3dqa n GLN 80 Ca 0.21 0.05 0.08 0.00 -0.01 0.00 0.00 57.00 57.33 3dqa n GLN 80 Cb 0.97 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.95 3dqa n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dqa n HIS 81 N -1.14 0.67 -3.25 1.08 8.25 0.51 -4.61 115.22 116.74 3dqa n HIS 81 Ca 0.12 -0.51 -0.46 0.00 -0.26 0.00 0.00 57.72 56.62 3dqa n HIS 81 Cb 0.11 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 3dqa n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dqa s ASP 82 N -1.01 6.95 0.22 0.41 -1.08 -1.13 -4.51 116.67 116.52 3dqa s ASP 82 Ca 0.33 -2.92 -0.10 0.00 -0.52 0.00 0.00 52.55 49.34 3dqa s ASP 82 Cb 0.17 -2.25 0.17 0.00 -1.46 0.00 0.00 42.92 39.55 3dqa s ASP 82 CO 0.22 -0.56 1.88 0.15 0.52 0.00 0.00 175.17 177.38 3dqa h PHE 83 N 7.51 1.01 -0.14 -5.34 3.57 -1.89 -2.77 116.94 118.89 3dqa h PHE 83 Ca 0.16 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3dqa h PHE 83 Cb 0.97 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 3dqa h PHE 83 CO 0.97 0.64 -0.04 0.74 -2.23 0.00 0.00 178.31 178.40 3dqa h PHE 84 N 1.08 0.32 -0.84 0.41 0.04 -1.88 -1.23 116.94 114.84 3dqa h PHE 84 Ca 0.29 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 61.00 3dqa h PHE 84 Cb -0.11 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 37.92 3dqa h PHE 84 CO -0.01 0.57 0.56 0.87 -0.60 0.00 0.00 178.31 179.70 3dqa h LYS 85 N -0.03 1.11 0.00 1.51 1.57 -1.83 -3.18 116.57 115.71 3dqa h LYS 85 Ca 0.04 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3dqa h LYS 85 Cb 0.47 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3dqa h LYS 85 CO 0.02 0.73 -0.21 0.66 -0.57 0.00 0.00 179.45 180.08 3dqa h SER 86 N 1.14 0.00 0.71 0.86 4.64 -0.96 -1.44 113.55 118.50 3dqa h SER 86 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3dqa h SER 86 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3dqa h SER 86 CO -0.07 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 3dqa n ALA 87 N -2.47 1.80 -2.28 5.18 0.00 -0.67 -4.81 120.51 117.26 3dqa n ALA 87 Ca -0.02 -0.02 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 3dqa n ALA 87 Cb 0.27 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 3dqa n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3dqa s MET 88 N -3.10 3.61 0.00 0.00 1.00 -0.54 -0.62 119.30 119.65 3dqa s MET 88 Ca 0.07 0.24 0.29 0.00 0.00 0.00 0.00 55.69 56.29 3dqa s MET 88 Cb 0.11 -2.42 1.19 0.00 0.00 0.00 0.00 34.83 33.71 3dqa s MET 88 CO 0.36 -0.11 1.87 -0.35 0.00 0.00 0.00 175.02 176.80 3dqa n PRO 89 N -1.86 0.16 0.16 2.03 -0.04 -1.26 -4.71 135.00 129.48 3dqa n PRO 89 Ca 0.01 -0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.47 3dqa n PRO 89 Cb 0.55 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.90 3dqa n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dqa h GLU 90 N 0.07 0.11 0.00 0.54 3.07 -1.91 -2.99 114.58 113.47 3dqa h GLU 90 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3dqa h GLU 90 Cb 0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3dqa h GLU 90 CO 0.00 0.35 0.00 0.41 -1.40 0.00 0.00 179.01 178.37 3dqa n GLY 91 N -0.72 -3.45 3.12 -3.84 0.00 0.21 -4.68 105.19 95.83 3dqa n GLY 91 Ca -0.02 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 3dqa n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dqa s TYR 92 N -0.78 0.65 -0.15 1.61 -0.85 0.14 -1.21 117.35 116.76 3dqa s TYR 92 Ca 0.00 -1.02 -0.17 0.00 -0.52 0.00 0.00 57.07 55.36 3dqa s TYR 92 Cb 0.00 -0.43 -0.04 0.00 0.38 0.00 0.00 41.96 41.86 3dqa s TYR 92 CO 0.00 -0.30 0.41 0.08 -1.52 0.00 0.00 175.55 174.22 3dqa s VAL 93 N -3.82 5.22 -0.21 -3.49 1.01 -0.04 -0.46 120.40 118.60 3dqa s VAL 93 Ca 0.09 0.80 -0.02 0.00 0.00 0.00 0.00 61.98 62.85 3dqa s VAL 93 Cb 0.07 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3dqa s VAL 93 CO -0.08 0.32 -0.09 -1.58 0.00 0.00 0.00 175.10 173.68 3dqa s GLN 94 N 0.74 3.20 -0.04 2.72 0.74 0.12 -1.65 119.66 125.48 3dqa s GLN 94 Ca 0.22 -0.73 0.05 0.00 0.05 0.00 0.00 55.36 54.95 3dqa s GLN 94 Cb -0.14 -2.89 -0.02 0.00 1.10 0.00 0.00 33.01 31.05 3dqa s GLN 94 CO 0.08 -0.23 -0.19 -1.21 -0.55 0.00 0.00 175.29 173.19 3dqa s GLU 95 N 1.41 2.38 0.07 1.67 2.02 0.28 -0.22 118.70 126.31 3dqa s GLU 95 Ca 0.05 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.26 3dqa s GLU 95 Cb -0.14 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 3dqa s GLU 95 CO -0.06 0.59 -0.05 1.03 0.02 0.00 0.00 175.26 176.78 3dqa s ARG 96 N -0.65 0.71 -0.12 1.61 0.52 0.31 -1.14 118.95 120.19 3dqa s ARG 96 Ca 0.10 -1.22 0.02 0.00 -0.52 0.00 0.00 55.73 54.11 3dqa s ARG 96 Cb -0.11 -0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.33 3dqa s ARG 96 CO 0.00 -0.05 -0.17 0.99 0.02 0.00 0.00 175.30 176.09 3dqa s THR 97 N -3.47 1.67 -0.21 0.02 2.01 -0.55 -1.13 115.64 113.98 3dqa s THR 97 Ca 0.07 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 3dqa s THR 97 Cb 0.04 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 71.06 3dqa s THR 97 CO -0.06 0.48 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.60 3dqa s ILE 98 N 0.94 2.68 -0.33 1.82 1.01 0.50 -1.38 121.20 126.45 3dqa s ILE 98 Ca -0.07 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 3dqa s ILE 98 Cb -0.15 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 3dqa s ILE 98 CO -0.02 0.41 0.28 -0.36 0.00 0.00 0.00 174.94 175.25 3dqa s PHE 99 N 1.35 3.22 -0.35 3.97 0.08 0.53 -0.79 117.98 126.00 3dqa s PHE 99 Ca 0.04 -0.06 -0.26 0.00 0.12 0.00 0.00 56.93 56.76 3dqa s PHE 99 Cb -0.14 -2.54 0.01 0.00 -0.57 0.00 0.00 43.02 39.78 3dqa s PHE 99 CO -0.08 -0.35 0.93 -0.06 -0.10 0.00 0.00 175.22 175.56 3dqa s PHE 100 N 1.85 3.11 0.03 0.36 0.40 -0.32 -1.23 117.98 122.19 3dqa s PHE 100 Ca 0.09 0.86 -0.37 0.00 -0.60 0.00 0.00 56.93 56.90 3dqa s PHE 100 Cb -0.17 -3.58 -0.17 0.00 0.51 0.00 0.00 43.02 39.62 3dqa s PHE 100 CO 0.11 -0.77 1.38 1.17 0.70 0.00 0.00 175.22 177.81 3dqa n LYS 101 N 6.69 1.06 -2.00 0.44 3.00 -0.52 -1.15 118.16 125.68 3dqa n LYS 101 Ca 0.07 0.39 -0.21 0.00 -0.00 0.00 0.00 58.31 58.56 3dqa n LYS 101 Cb 0.48 -2.02 -0.05 0.00 0.00 0.00 0.00 35.03 33.44 3dqa n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dqa n ASP 102 N 2.85 -5.71 -0.03 3.14 8.00 -1.26 -4.81 116.55 118.73 3dqa n ASP 102 Ca 0.20 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.94 3dqa n ASP 102 Cb 0.17 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 36.40 3dqa n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dqa n ASP 103 N -1.67 0.00 -2.29 -2.24 -0.08 -0.30 -4.95 116.55 105.02 3dqa n ASP 103 Ca -0.23 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.02 3dqa n ASP 103 Cb 0.69 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.15 3dqa n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dqa n GLY 104 N 0.00 -1.37 3.12 0.27 0.00 -1.12 -4.58 105.19 101.51 3dqa n GLY 104 Ca 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 3dqa n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dqa s ASN 105 N -1.12 1.24 -0.06 1.61 2.20 -0.69 -1.17 114.94 116.96 3dqa s ASN 105 Ca 0.00 -0.62 -0.04 0.00 -0.94 0.00 0.00 52.86 51.26 3dqa s ASN 105 Cb 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 41.25 39.21 3dqa s ASN 105 CO 0.00 -0.17 0.13 -0.31 -2.94 0.00 0.00 177.10 173.81 3dqa s TYR 106 N -1.54 3.48 -0.10 1.54 2.02 0.03 -1.72 117.35 121.06 3dqa s TYR 106 Ca -0.04 0.38 0.03 0.00 -0.37 0.00 0.00 57.07 57.06 3dqa s TYR 106 Cb -0.09 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 3dqa s TYR 106 CO 0.01 0.65 -0.18 0.15 -1.57 0.00 0.00 175.55 174.61 3dqa s LYS 107 N -1.46 2.39 -0.02 -0.62 1.02 0.12 -0.37 119.74 120.79 3dqa s LYS 107 Ca 0.21 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 55.60 3dqa s LYS 107 Cb -0.12 -1.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 3dqa s LYS 107 CO 0.11 0.04 -0.16 0.95 -0.92 0.00 0.00 175.35 175.37 3dqa s THR 108 N 0.68 1.32 -0.10 2.17 -4.23 -0.28 -0.45 115.64 114.75 3dqa s THR 108 Ca -0.13 -0.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 3dqa s THR 108 Cb -0.16 -1.12 0.01 0.00 1.34 0.00 0.00 72.50 72.58 3dqa s THR 108 CO 0.03 0.38 -0.15 -0.60 -0.54 0.00 0.00 174.62 173.74 3dqa s ARG 109 N -0.20 2.12 0.07 3.99 3.52 -0.62 -0.53 118.95 127.31 3dqa s ARG 109 Ca 0.02 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 55.14 3dqa s ARG 109 Cb -0.08 -1.79 -0.03 0.00 -1.56 0.00 0.00 34.95 31.49 3dqa s ARG 109 CO 0.00 -0.04 -0.15 0.00 -0.81 0.00 0.00 175.30 174.31 3dqa s ALA 110 N 0.91 1.24 -0.16 6.12 0.00 0.69 -0.90 121.76 129.66 3dqa s ALA 110 Ca -0.09 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3dqa s ALA 110 Cb -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3dqa s ALA 110 CO -0.00 0.20 -0.17 -1.21 0.00 0.00 0.00 175.76 174.57 3dqa s GLU 111 N -1.66 3.13 -0.22 0.00 2.02 -0.17 -0.70 118.70 121.11 3dqa s GLU 111 Ca -0.01 -0.79 -0.00 0.00 0.02 0.00 0.00 54.97 54.19 3dqa s GLU 111 Cb -0.10 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.57 3dqa s GLU 111 CO 0.02 -0.04 -0.12 0.08 0.02 0.00 0.00 175.26 175.22 3dqa s VAL 112 N 0.93 2.54 0.14 2.63 1.01 0.39 -1.29 120.40 126.75 3dqa s VAL 112 Ca -0.04 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 3dqa s VAL 112 Cb -0.15 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 34.10 3dqa s VAL 112 CO -0.03 0.36 0.80 -1.59 0.00 0.00 0.00 175.10 174.64 3dqa s LYS 113 N 1.31 1.24 0.20 2.72 -2.85 -0.80 0.23 119.74 121.79 3dqa s LYS 113 Ca 0.02 -0.58 -0.24 0.00 -1.00 0.00 0.00 55.97 54.17 3dqa s LYS 113 Cb -0.15 0.49 -0.08 0.00 -2.06 0.00 0.00 37.83 36.03 3dqa s LYS 113 CO -0.08 -0.56 0.77 -0.06 0.10 0.00 0.00 175.35 175.53 3dqa s PHE 114 N -3.49 3.81 -0.39 1.78 0.08 -1.13 -0.29 117.98 118.35 3dqa s PHE 114 Ca 0.07 1.57 -0.02 0.00 0.12 0.00 0.00 56.93 58.68 3dqa s PHE 114 Cb -0.02 -2.74 0.11 0.00 -0.57 0.00 0.00 43.02 39.80 3dqa s PHE 114 CO -0.04 0.44 0.17 -1.21 -0.10 0.00 0.00 175.22 174.48 3dqa s GLU 115 N -1.48 1.94 7.60 0.44 0.41 0.85 -4.93 118.70 123.53 3dqa s GLU 115 Ca 0.39 -1.80 0.00 0.00 -0.41 0.00 0.00 54.97 53.15 3dqa s GLU 115 Cb -0.21 -3.50 0.00 0.00 -1.78 0.00 0.00 34.13 28.64 3dqa s GLU 115 CO 0.24 -1.03 0.00 0.41 -0.49 0.00 0.00 175.26 174.40 3dqa n GLY 116 N 4.54 3.56 0.08 -1.39 0.00 -1.26 -2.01 105.19 108.71 3dqa n GLY 116 Ca -0.02 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.05 3dqa n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dqa n ASP 117 N 4.74 0.27 -4.71 1.61 8.00 -1.26 -4.85 116.55 120.35 3dqa n ASP 117 Ca 0.00 -0.75 -0.35 0.00 0.71 0.00 0.00 54.79 54.40 3dqa n ASP 117 Cb 0.00 -0.08 -0.08 0.00 -0.02 0.00 0.00 41.12 40.93 3dqa n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dqa s THR 118 N -2.25 5.16 -0.23 -3.53 2.01 -0.85 -4.33 115.64 111.62 3dqa s THR 118 Ca 0.38 0.10 -0.22 0.00 0.31 0.00 0.00 61.69 62.26 3dqa s THR 118 Cb 0.21 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 3dqa s THR 118 CO 0.41 0.47 0.68 -0.22 -0.69 0.00 0.00 174.62 175.27 3dqa s LEU 119 N 0.20 4.10 -0.03 4.42 1.98 -0.46 -0.11 118.68 128.77 3dqa s LEU 119 Ca 0.07 0.84 0.07 0.00 -2.89 0.00 0.00 54.13 52.22 3dqa s LEU 119 Cb -0.12 -2.96 -0.02 0.00 0.66 0.00 0.00 46.19 43.76 3dqa s LEU 119 CO -0.01 -0.37 -0.23 -0.69 -1.89 0.00 0.00 176.35 173.17 3dqa s VAL 120 N 2.36 2.32 -0.32 1.68 1.01 0.60 -1.52 120.40 126.54 3dqa s VAL 120 Ca 0.29 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3dqa s VAL 120 Cb -0.16 -1.84 0.10 0.00 0.00 0.00 0.00 36.38 34.49 3dqa s VAL 120 CO 0.09 0.58 0.08 0.21 0.00 0.00 0.00 175.10 176.06 3dqa s ASN 121 N -0.58 4.26 -0.25 3.32 2.47 -0.59 -1.90 114.94 121.66 3dqa s ASN 121 Ca 0.09 -1.79 -0.14 0.00 0.42 0.00 0.00 52.86 51.44 3dqa s ASN 121 Cb -0.11 -1.11 -0.04 0.00 -1.45 0.00 0.00 41.25 38.54 3dqa s ASN 121 CO -0.00 -0.40 0.32 -0.13 -3.72 0.00 0.00 177.10 173.17 3dqa s ARG 122 N 1.39 4.06 0.00 0.43 0.52 -0.41 -0.84 118.95 124.10 3dqa s ARG 122 Ca 0.10 -0.02 0.06 0.00 -0.52 0.00 0.00 55.73 55.35 3dqa s ARG 122 Cb -0.18 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.67 3dqa s ARG 122 CO -0.19 -0.15 -0.19 0.42 0.02 0.00 0.00 175.30 175.21 3dqa s ILE 123 N 1.67 1.50 -0.06 1.52 1.01 0.15 -1.00 121.20 125.98 3dqa s ILE 123 Ca 0.14 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.93 3dqa s ILE 123 Cb -0.15 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 3dqa s ILE 123 CO 0.09 0.35 -0.17 -1.61 0.00 0.00 0.00 174.94 173.60 3dqa s GLU 124 N -0.63 2.63 -0.06 2.79 2.02 -0.08 -1.43 118.70 123.94 3dqa s GLU 124 Ca 0.07 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.33 3dqa s GLU 124 Cb -0.08 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 31.82 3dqa s GLU 124 CO -0.00 0.50 -0.10 -1.17 0.02 0.00 0.00 175.26 174.52 3dqa s LEU 125 N -0.43 1.57 -0.12 1.80 0.20 0.42 -1.58 118.68 120.53 3dqa s LEU 125 Ca 0.05 -0.24 0.02 0.00 0.69 0.00 0.00 54.13 54.65 3dqa s LEU 125 Cb -0.12 -0.69 0.01 0.00 -0.43 0.00 0.00 46.19 44.96 3dqa s LEU 125 CO 0.02 0.01 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.36 3dqa s LYS 126 N 0.69 2.65 -0.10 1.98 3.01 0.40 -1.68 119.74 126.69 3dqa s LYS 126 Ca -0.13 -0.72 0.01 0.00 -1.01 0.00 0.00 55.97 54.12 3dqa s LYS 126 Cb -0.15 -2.16 -0.02 0.00 -1.01 0.00 0.00 37.83 34.49 3dqa s LYS 126 CO 0.02 -0.01 -0.11 0.20 0.51 0.00 0.00 175.35 175.97 3dqa s GLY 127 N 0.82 1.59 0.10 -3.33 0.00 0.90 0.12 107.32 107.51 3dqa s GLY 127 Ca -0.09 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.75 3dqa s GLY 127 CO -0.00 -0.43 -0.07 -0.26 0.00 0.00 0.00 173.10 172.34 3dqa s ILE 128 N -0.18 0.72 -1.28 0.90 -4.36 -0.70 -1.36 121.20 114.93 3dqa s ILE 128 Ca 0.01 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 3dqa s ILE 128 Cb -0.13 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.87 3dqa s ILE 128 CO 0.03 -0.85 0.00 0.47 0.24 0.00 0.00 174.94 174.83 3dqa n ASP 129 N -0.06 -4.38 -4.81 4.36 8.00 -1.26 -1.71 116.55 116.69 3dqa n ASP 129 Ca -0.12 0.23 -0.33 0.00 0.71 0.00 0.00 54.79 55.28 3dqa n ASP 129 Cb 0.61 -3.15 -0.01 0.00 -0.02 0.00 0.00 41.12 38.55 3dqa n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dqa s PHE 130 N -2.51 3.13 -0.17 1.24 0.08 -1.26 -2.80 117.98 115.69 3dqa s PHE 130 Ca 0.00 1.50 -0.19 0.00 0.12 0.00 0.00 56.93 58.37 3dqa s PHE 130 Cb 0.00 -2.95 -0.03 0.00 -0.57 0.00 0.00 43.02 39.47 3dqa s PHE 130 CO 0.00 -0.86 0.53 0.15 -0.10 0.00 0.00 175.22 174.93 3dqa s LYS 131 N -4.00 4.25 0.49 0.44 1.02 -1.26 -4.86 119.74 115.82 3dqa s LYS 131 Ca 0.62 0.47 0.28 0.00 0.02 0.00 0.00 55.97 57.36 3dqa s LYS 131 Cb -0.14 -3.52 1.36 0.00 -0.52 0.00 0.00 37.83 35.01 3dqa s LYS 131 CO 0.34 -0.05 1.82 1.49 -0.92 0.00 0.00 175.35 178.02 3dqa h GLU 132 N 7.20 0.15 -0.14 1.68 4.57 -1.95 -0.26 114.58 125.83 3dqa h GLU 132 Ca -0.36 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 3dqa h GLU 132 Cb 1.16 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 3dqa h GLU 132 CO 0.75 0.10 0.00 -0.40 -1.18 0.00 0.00 179.01 178.28 3dqa n ASP 133 N -4.37 2.74 -2.14 1.04 5.75 -1.26 -3.58 116.55 114.73 3dqa n ASP 133 Ca 0.23 -2.55 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 3dqa n ASP 133 Cb 1.02 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 3dqa n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dqa n GLY 134 N -0.55 -1.49 0.26 6.12 0.00 -0.11 -4.56 105.19 104.86 3dqa n GLY 134 Ca 0.12 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.66 3dqa n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dqa h ASN 135 N -0.28 0.00 0.00 1.61 2.35 -1.92 0.15 115.58 117.50 3dqa h ASN 135 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dqa h ASN 135 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3dqa h ASN 135 CO 0.00 0.13 -0.12 -0.38 -1.65 0.00 0.00 177.43 175.41 3dqa n ILE 136 N -3.59 0.33 0.25 2.81 -0.00 -1.26 -1.09 119.36 116.81 3dqa n ILE 136 Ca -0.02 0.43 0.11 0.00 -0.00 0.00 0.00 62.75 63.28 3dqa n ILE 136 Cb 0.26 -1.71 0.67 0.00 -0.00 0.00 0.00 39.64 38.86 3dqa n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3dqa h LEU 137 N -0.24 0.00 -0.64 1.39 3.38 -1.74 -0.89 115.31 116.58 3dqa h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dqa h LEU 137 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3dqa h LEU 137 CO 0.00 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.28 3dqa n GLY 138 N -0.73 -0.24 3.89 0.83 0.00 0.54 -4.84 105.19 104.65 3dqa n GLY 138 Ca -0.02 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 3dqa n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dqa n HIS 139 N -0.11 -1.64 -0.48 1.61 8.25 -0.34 -4.91 115.22 117.61 3dqa n HIS 139 Ca 0.13 0.31 0.08 0.00 -0.26 0.00 0.00 57.72 57.98 3dqa n HIS 139 Cb 0.20 -3.16 0.25 0.00 1.12 0.00 0.00 29.99 28.39 3dqa n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dqa n LYS 140 N -4.59 3.09 -3.78 -0.41 5.02 -0.25 -5.00 118.16 112.24 3dqa n LYS 140 Ca -0.13 -2.49 -0.36 0.00 -2.02 0.00 0.00 58.31 53.31 3dqa n LYS 140 Cb 0.59 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 3dqa n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dqa s LEU 141 N -1.58 4.39 0.64 -0.35 1.43 -1.25 -0.85 118.68 121.11 3dqa s LEU 141 Ca 0.37 0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 53.90 3dqa s LEU 141 Cb 0.23 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3dqa s LEU 141 CO 0.19 0.32 1.05 -1.61 0.23 0.00 0.00 176.35 176.53 3dqa s GLU 142 N -1.41 3.16 -1.25 1.70 2.02 0.10 -4.86 118.70 118.16 3dqa s GLU 142 Ca 0.22 1.06 -0.12 0.00 0.02 0.00 0.00 54.97 56.15 3dqa s GLU 142 Cb -0.13 -2.02 0.16 0.00 0.10 0.00 0.00 34.13 32.24 3dqa s GLU 142 CO 0.11 -0.93 1.64 0.98 0.02 0.00 0.00 175.26 177.09 3dqa n TYR 143 N -2.57 4.17 -3.77 1.61 9.36 -1.26 -4.82 117.16 119.87 3dqa n TYR 143 Ca 0.08 -3.11 -0.07 0.00 3.32 0.00 0.00 57.90 58.12 3dqa n TYR 143 Cb 0.53 -2.14 0.03 0.00 -0.63 0.00 0.00 39.34 37.13 3dqa n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dqa n ASN 144 N 5.17 -2.01 -3.63 2.98 0.23 -1.26 -4.90 115.26 111.84 3dqa n ASN 144 Ca 0.39 -2.32 -0.12 0.00 -0.53 0.00 0.00 54.58 52.01 3dqa n ASN 144 Cb 0.40 3.32 -0.07 0.00 -2.08 0.00 0.00 39.78 41.36 3dqa n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dqa s TYR 145 N -2.59 -0.82 0.25 -2.53 5.04 -1.26 -4.88 117.35 110.55 3dqa s TYR 145 Ca 0.16 1.89 -0.02 0.00 -2.44 0.00 0.00 57.07 56.66 3dqa s TYR 145 Cb -0.04 0.37 -0.04 0.00 0.35 0.00 0.00 41.96 42.59 3dqa s TYR 145 CO 0.10 -0.40 0.47 -0.80 -1.34 0.00 0.00 175.55 173.58 3dqa s ASN 146 N 0.69 6.40 0.54 4.32 0.01 -1.26 -4.77 114.94 120.87 3dqa s ASN 146 Ca -0.02 0.53 -0.19 0.00 -0.71 0.00 0.00 52.86 52.46 3dqa s ASN 146 Cb -0.05 -2.06 -0.06 0.00 0.41 0.00 0.00 41.25 39.49 3dqa s ASN 146 CO -0.05 -0.13 1.12 -0.44 -1.51 0.00 0.00 177.10 176.09 3dqa s SER 147 N -3.27 5.76 -0.20 -1.22 0.01 -1.26 -4.67 113.70 108.85 3dqa s SER 147 Ca 0.41 2.14 -0.16 0.00 1.31 0.00 0.00 55.95 59.65 3dqa s SER 147 Cb -0.11 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.60 3dqa s SER 147 CO 0.30 -1.19 0.51 -1.00 0.41 0.00 0.00 173.24 172.27 3dqa s HIS 148 N -1.82 -0.62 0.03 2.43 3.76 -1.03 -5.01 115.29 113.04 3dqa s HIS 148 Ca 0.72 1.44 -0.17 0.00 -0.15 0.00 0.00 55.06 56.89 3dqa s HIS 148 Cb -0.23 0.25 -0.06 0.00 1.11 0.00 0.00 32.58 33.64 3dqa s HIS 148 CO 0.27 -0.31 0.50 -0.80 -0.85 0.00 0.00 174.74 173.55 3dqa s ASN 149 N 0.58 6.94 -0.16 1.40 0.02 -1.26 -0.45 114.94 122.01 3dqa s ASN 149 Ca -0.02 1.11 0.01 0.00 -1.02 0.00 0.00 52.86 52.94 3dqa s ASN 149 Cb -0.05 -2.31 0.02 0.00 0.02 0.00 0.00 41.25 38.93 3dqa s ASN 149 CO -0.03 0.28 -0.20 -0.69 0.02 0.00 0.00 177.10 176.48 3dqa s VAL 150 N -0.98 1.95 -0.34 1.60 1.01 0.13 -4.91 120.40 118.87 3dqa s VAL 150 Ca 0.27 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 3dqa s VAL 150 Cb -0.18 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3dqa s VAL 150 CO 0.16 0.53 0.30 -0.31 0.00 0.00 0.00 175.10 175.77 3dqa s TYR 151 N 1.14 3.22 -0.01 5.22 2.02 -1.26 -0.68 117.35 127.00 3dqa s TYR 151 Ca 0.00 -0.11 -0.19 0.00 -0.37 0.00 0.00 57.07 56.41 3dqa s TYR 151 Cb -0.14 -2.56 -0.05 0.00 -0.40 0.00 0.00 41.96 38.80 3dqa s TYR 151 CO -0.08 -0.39 0.53 0.42 -1.57 0.00 0.00 175.55 174.46 3dqa s ILE 152 N 1.86 4.94 0.09 2.71 1.01 0.18 -4.05 121.20 127.94 3dqa s ILE 152 Ca 0.09 1.11 0.06 0.00 0.00 0.00 0.00 60.65 61.91 3dqa s ILE 152 Cb -0.17 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 3dqa s ILE 152 CO 0.11 0.46 -0.16 0.00 0.00 0.00 0.00 174.94 175.35 3dqa s MET 153 N -0.41 0.93 0.62 2.79 0.23 -0.23 -2.58 119.30 120.66 3dqa s MET 153 Ca 0.28 -1.05 -0.18 0.00 -1.03 0.00 0.00 55.69 53.72 3dqa s MET 153 Cb -0.18 -1.01 -0.02 0.00 -1.53 0.00 0.00 34.83 32.09 3dqa s MET 153 CO 0.16 0.23 1.21 0.00 -2.03 0.00 0.00 175.02 174.58 3dqa s ALA 154 N -1.32 2.46 -0.59 3.16 0.00 -1.26 -0.61 121.76 123.61 3dqa s ALA 154 Ca 0.02 0.98 0.05 0.00 0.00 0.00 0.00 51.96 53.00 3dqa s ALA 154 Cb -0.10 -3.45 0.17 0.00 0.00 0.00 0.00 23.12 19.74 3dqa s ALA 154 CO 0.03 -1.31 0.44 -3.47 0.00 0.00 0.00 175.76 171.45 3dqa n ASP 155 N -1.84 1.62 -0.13 0.00 -0.08 -0.12 -4.58 116.55 111.42 3dqa n ASP 155 Ca 0.14 -2.88 -0.07 0.00 -1.51 0.00 0.00 54.79 50.47 3dqa n ASP 155 Cb 0.50 -0.67 0.10 0.00 2.34 0.00 0.00 41.12 43.38 3dqa n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dqa h LYS 156 N 5.44 0.87 0.00 -0.67 1.57 -1.94 -1.99 116.57 119.86 3dqa h LYS 156 Ca 0.20 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3dqa h LYS 156 Cb 0.81 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3dqa h LYS 156 CO 0.58 0.92 0.00 -0.56 -0.57 0.00 0.00 179.45 179.82 3dqa h GLN 157 N 0.80 0.00 -0.17 3.15 3.07 -1.94 -0.71 115.11 119.30 3dqa h GLN 157 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.88 3dqa h GLN 157 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 3dqa h GLN 157 CO 0.04 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.59 3dqa n LYS 158 N -2.48 2.21 -3.04 0.06 5.02 -0.87 -4.99 118.16 114.06 3dqa n LYS 158 Ca -0.02 -1.62 -0.22 0.00 -2.02 0.00 0.00 58.31 54.43 3dqa n LYS 158 Cb 0.05 -1.16 0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3dqa n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dqa n ASN 159 N 0.20 -5.75 0.00 4.39 5.15 -0.28 -4.80 115.26 114.17 3dqa n ASN 159 Ca 0.06 -0.29 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 3dqa n ASN 159 Cb 0.31 -4.66 0.00 0.00 -0.53 0.00 0.00 39.78 34.90 3dqa n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dqa n GLY 160 N -1.45 4.32 3.33 8.20 0.00 -0.80 -4.32 105.19 114.47 3dqa n GLY 160 Ca -0.11 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 3dqa n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dqa s ILE 161 N -0.53 0.98 0.02 -0.61 -4.36 -0.65 -0.95 121.20 115.10 3dqa s ILE 161 Ca 0.00 -2.02 0.04 0.00 -0.26 0.00 0.00 60.65 58.41 3dqa s ILE 161 Cb 0.00 -2.38 -0.02 0.00 1.25 0.00 0.00 42.46 41.31 3dqa s ILE 161 CO 0.00 -0.29 -0.13 -0.54 0.24 0.00 0.00 174.94 174.23 3dqa s LYS 162 N -3.88 0.89 -0.01 0.37 1.02 0.22 -1.63 119.74 116.71 3dqa s LYS 162 Ca 0.29 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.66 3dqa s LYS 162 Cb 0.06 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 3dqa s LYS 162 CO 0.09 0.22 -0.01 0.08 -0.92 0.00 0.00 175.35 174.81 3dqa s VAL 163 N -0.68 0.11 -0.04 3.17 1.01 -0.27 -1.07 120.40 122.64 3dqa s VAL 163 Ca 0.02 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3dqa s VAL 163 Cb -0.07 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.20 3dqa s VAL 163 CO 0.01 0.05 -0.09 0.21 0.00 0.00 0.00 175.10 175.27 3dqa s ASN 164 N 0.17 1.31 0.10 3.32 3.04 -1.26 -0.24 114.94 121.39 3dqa s ASN 164 Ca -0.01 -0.21 -0.25 0.00 0.04 0.00 0.00 52.86 52.43 3dqa s ASN 164 Cb -0.03 -0.44 0.08 0.00 -1.54 0.00 0.00 41.25 39.33 3dqa s ASN 164 CO -0.00 0.05 0.71 0.72 -3.04 0.00 0.00 177.10 175.53 3dqa s PHE 165 N 0.36 -0.47 -0.09 0.43 -0.71 -0.57 -4.31 117.98 112.61 3dqa s PHE 165 Ca -0.06 0.30 0.01 0.00 -1.04 0.00 0.00 56.93 56.14 3dqa s PHE 165 Cb -0.11 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.23 3dqa s PHE 165 CO 0.01 -0.74 -0.13 0.15 -1.34 0.00 0.00 175.22 173.18 3dqa s LYS 166 N -3.49 2.99 -0.08 1.99 1.02 -1.26 -0.86 119.74 120.05 3dqa s LYS 166 Ca 0.02 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.35 3dqa s LYS 166 Cb -0.01 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 3dqa s LYS 166 CO -0.11 0.41 -0.11 0.42 -0.92 0.00 0.00 175.35 175.04 3dqa s ILE 167 N -0.17 3.35 -0.30 2.17 -1.09 -0.20 -4.99 121.20 119.98 3dqa s ILE 167 Ca -0.00 -0.60 -0.03 0.00 -2.23 0.00 0.00 60.65 57.80 3dqa s ILE 167 Cb -0.13 -2.37 0.04 0.00 -1.58 0.00 0.00 42.46 38.42 3dqa s ILE 167 CO 0.03 0.57 0.01 -0.13 -1.23 0.00 0.00 174.94 174.19 3dqa s ARG 168 N -0.42 2.53 -0.07 2.79 0.52 -1.26 -0.14 118.95 122.90 3dqa s ARG 168 Ca 0.05 -1.21 -0.22 0.00 -0.52 0.00 0.00 55.73 53.83 3dqa s ARG 168 Cb -0.12 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 3dqa s ARG 168 CO 0.02 -0.60 0.66 -1.01 0.02 0.00 0.00 175.30 174.39 3dqa s HIS 169 N 1.29 3.58 0.10 -0.53 3.76 -0.37 -4.73 115.29 118.38 3dqa s HIS 169 Ca -0.04 1.19 -0.31 0.00 -0.15 0.00 0.00 55.06 55.75 3dqa s HIS 169 Cb -0.19 -2.75 -0.08 0.00 1.11 0.00 0.00 32.58 30.67 3dqa s HIS 169 CO -0.01 0.13 1.49 -0.80 -0.85 0.00 0.00 174.74 174.70 3dqa s ASN 170 N 0.66 6.72 0.32 1.40 0.01 -1.26 -0.61 114.94 122.18 3dqa s ASN 170 Ca 0.35 2.39 -0.13 0.00 -0.71 0.00 0.00 52.86 54.77 3dqa s ASN 170 Cb -0.17 -2.58 -0.08 0.00 0.41 0.00 0.00 41.25 38.83 3dqa s ASN 170 CO 0.17 -0.76 0.70 -0.63 -1.51 0.00 0.00 177.10 175.08 3dqa s ILE 171 N 1.67 4.76 0.43 0.60 1.01 0.21 0.00 121.20 129.89 3dqa s ILE 171 Ca 0.68 0.76 0.40 0.00 0.00 0.00 0.00 60.65 62.48 3dqa s ILE 171 Cb -0.38 -3.64 0.42 0.00 0.01 0.00 0.00 42.46 38.87 3dqa s ILE 171 CO 0.30 -0.25 2.21 1.05 0.00 0.00 0.00 174.94 178.25 3dqa h GLU 172 N 2.06 0.00 -0.08 2.79 4.11 -1.30 -1.29 114.58 120.87 3dqa h GLU 172 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3dqa h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3dqa h GLU 172 CO 0.66 0.01 0.00 -0.40 0.07 0.00 0.00 179.01 179.34 3dqa n ASP 173 N -3.12 0.73 0.00 3.06 5.68 -1.26 -4.89 116.55 116.76 3dqa n ASP 173 Ca -0.02 -1.59 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 3dqa n ASP 173 Cb 0.17 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3dqa n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dqa n GLY 174 N 0.92 0.86 1.76 6.12 0.00 -0.49 -5.07 105.19 109.28 3dqa n GLY 174 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 3dqa n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dqa n SER 175 N 0.00 0.09 -4.20 1.61 2.88 -1.25 -4.81 113.62 107.94 3dqa n SER 175 Ca 0.00 -1.24 -0.23 0.00 -1.33 0.00 0.00 58.87 56.07 3dqa n SER 175 Cb 0.00 -0.45 -0.14 0.00 -0.75 0.00 0.00 64.21 62.88 3dqa n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dqa s VAL 176 N -2.24 1.38 -0.39 2.46 -7.23 -1.26 -0.62 120.40 112.51 3dqa s VAL 176 Ca 0.34 -1.11 -0.11 0.00 -1.81 0.00 0.00 61.98 59.29 3dqa s VAL 176 Cb -0.01 -1.23 0.04 0.00 0.56 0.00 0.00 36.38 35.74 3dqa s VAL 176 CO 0.24 0.09 0.23 -1.58 -0.31 0.00 0.00 175.10 173.77 3dqa s GLN 177 N -1.19 2.81 0.39 4.82 2.00 0.22 -4.87 119.66 123.85 3dqa s GLN 177 Ca 0.04 -1.14 -0.25 0.00 -2.00 0.00 0.00 55.36 52.01 3dqa s GLN 177 Cb -0.08 -3.78 -0.09 0.00 0.80 0.00 0.00 33.01 29.86 3dqa s GLN 177 CO 0.02 -0.76 1.11 -0.51 -0.50 0.00 0.00 175.29 174.65 3dqa s LEU 178 N 1.55 4.19 -0.31 3.68 1.43 -1.26 -1.24 118.68 126.72 3dqa s LEU 178 Ca 0.02 2.20 -0.02 0.00 -1.03 0.00 0.00 54.13 55.30 3dqa s LEU 178 Cb -0.20 -4.07 0.11 0.00 0.03 0.00 0.00 46.19 42.06 3dqa s LEU 178 CO 0.06 -0.57 0.13 0.00 0.23 0.00 0.00 176.35 176.21 3dqa s ALA 179 N -1.50 0.96 -0.39 4.21 0.00 0.80 -1.44 121.76 124.39 3dqa s ALA 179 Ca 0.57 -1.39 -0.25 0.00 0.00 0.00 0.00 51.96 50.89 3dqa s ALA 179 Cb -0.27 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.37 3dqa s ALA 179 CO 0.34 -1.72 0.87 -0.51 0.00 0.00 0.00 175.76 174.74 3dqa s ASP 180 N 1.79 6.58 -0.19 0.00 -0.00 -0.36 -1.03 116.67 123.46 3dqa s ASP 180 Ca 0.11 0.36 -0.09 0.00 -0.00 0.00 0.00 52.55 52.92 3dqa s ASP 180 Cb -0.17 -2.44 -0.05 0.00 -0.00 0.00 0.00 42.92 40.26 3dqa s ASP 180 CO -0.28 -0.87 0.12 -1.00 -0.00 0.00 0.00 175.17 173.13 3dqa s HIS 181 N 3.42 3.39 -0.09 4.23 3.76 -0.04 -0.35 115.29 129.61 3dqa s HIS 181 Ca 0.35 0.29 0.04 0.00 -0.15 0.00 0.00 55.06 55.60 3dqa s HIS 181 Cb -0.12 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.45 3dqa s HIS 181 CO 0.20 0.30 -0.23 0.71 -0.85 0.00 0.00 174.74 174.87 3dqa s TYR 182 N 0.23 2.42 0.02 1.40 1.51 -0.48 -1.51 117.35 120.94 3dqa s TYR 182 Ca 0.08 -0.95 -0.00 0.00 -1.01 0.00 0.00 57.07 55.18 3dqa s TYR 182 Cb -0.11 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 3dqa s TYR 182 CO -0.01 -0.38 -0.02 -1.14 -1.11 0.00 0.00 175.55 172.89 3dqa s GLN 183 N 0.31 0.27 -0.02 -0.62 0.74 0.67 -1.49 119.66 119.53 3dqa s GLN 183 Ca -0.17 -0.51 -0.01 0.00 0.05 0.00 0.00 55.36 54.73 3dqa s GLN 183 Cb -0.17 0.10 0.01 0.00 1.10 0.00 0.00 33.01 34.05 3dqa s GLN 183 CO 0.08 -0.04 0.03 -1.14 -0.55 0.00 0.00 175.29 173.66 3dqa s GLN 184 N -1.23 0.01 -0.02 1.67 0.74 -0.30 -1.11 119.66 119.41 3dqa s GLN 184 Ca -0.13 0.11 0.06 0.00 0.05 0.00 0.00 55.36 55.44 3dqa s GLN 184 Cb -0.08 -0.09 -0.01 0.00 1.10 0.00 0.00 33.01 33.92 3dqa s GLN 184 CO -0.01 -0.07 -0.21 -0.80 -0.55 0.00 0.00 175.29 173.66 3dqa s ASN 185 N 0.45 2.44 -0.00 6.67 -0.87 -0.65 -0.56 114.94 122.42 3dqa s ASN 185 Ca -0.04 -0.38 0.01 0.00 -1.57 0.00 0.00 52.86 50.89 3dqa s ASN 185 Cb -0.05 -0.37 -0.00 0.00 -0.02 0.00 0.00 41.25 40.81 3dqa s ASN 185 CO -0.01 0.24 -0.05 0.42 -2.57 0.00 0.00 177.10 175.13 3dqa s THR 186 N -0.38 0.36 0.57 1.60 -4.23 -0.66 -1.64 115.64 111.25 3dqa s THR 186 Ca 0.05 -0.25 -0.20 0.00 -1.18 0.00 0.00 61.69 60.11 3dqa s THR 186 Cb -0.09 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 3dqa s THR 186 CO 0.00 0.06 1.24 -2.16 -0.54 0.00 0.00 174.62 173.23 3dqa s PRO 187 N -0.20 3.09 0.01 3.99 0.04 -1.26 -0.86 135.00 139.81 3dqa s PRO 187 Ca 0.01 1.93 -0.13 0.00 0.04 0.00 0.00 61.00 62.85 3dqa s PRO 187 Cb -0.02 -2.07 -0.34 0.00 0.04 0.00 0.00 34.50 32.12 3dqa s PRO 187 CO -0.00 -1.14 0.91 0.82 0.04 0.00 0.00 177.00 177.63 3dqa h ILE 188 N 1.13 1.20 -4.10 0.56 2.04 -1.44 -3.44 117.51 113.45 3dqa h ILE 188 Ca -0.50 -2.68 -0.46 0.00 1.00 0.00 0.00 64.86 62.21 3dqa h ILE 188 Cb 1.29 2.95 0.14 0.00 -0.74 0.00 0.00 36.82 40.46 3dqa h ILE 188 CO 0.56 0.83 0.26 -0.83 0.00 0.00 0.00 178.15 178.97 3dqa s GLY 189 N -4.77 1.58 0.00 5.37 0.00 -1.26 -5.01 107.32 103.23 3dqa s GLY 189 Ca -0.11 -0.43 0.23 0.00 0.00 0.00 0.00 44.72 44.42 3dqa s GLY 189 CO 0.91 0.14 1.18 1.34 0.00 0.00 0.00 173.10 176.67 3dqa n ASP 190 N -3.90 1.52 -4.82 1.64 2.03 -1.26 -5.00 116.55 106.75 3dqa n ASP 190 Ca 0.06 -1.20 -0.29 0.00 0.52 0.00 0.00 54.79 53.88 3dqa n ASP 190 Cb 0.58 0.49 0.11 0.00 -0.72 0.00 0.00 41.12 41.58 3dqa n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dqa s GLY 191 N -2.62 1.59 0.60 0.27 0.00 -1.26 -5.02 107.32 100.88 3dqa s GLY 191 Ca 0.17 -0.45 -0.19 0.00 0.00 0.00 0.00 44.72 44.25 3dqa s GLY 191 CO 0.63 0.05 1.26 2.56 0.00 0.00 0.00 173.10 177.59 3dqa s PRO 192 N -5.30 2.89 0.15 2.90 0.05 -1.26 -5.04 135.00 129.39 3dqa s PRO 192 Ca 0.62 1.97 0.05 0.00 0.05 0.00 0.00 61.00 63.69 3dqa s PRO 192 Cb -0.14 -1.97 -0.04 0.00 0.05 0.00 0.00 34.50 32.40 3dqa s PRO 192 CO 0.53 -1.30 -0.11 0.14 0.05 0.00 0.00 177.00 176.31 3dqa s VAL 193 N -1.48 1.21 -0.14 -0.36 -7.23 -1.26 -4.85 120.40 106.30 3dqa s VAL 193 Ca 0.78 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.63 3dqa s VAL 193 Cb -0.34 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 3dqa s VAL 193 CO 0.37 -0.70 1.12 -0.76 -0.31 0.00 0.00 175.10 174.82 3dqa s LEU 194 N -3.08 4.20 -0.27 1.32 1.43 -1.26 -5.02 118.68 115.99 3dqa s LEU 194 Ca 0.16 1.60 -0.09 0.00 -1.03 0.00 0.00 54.13 54.77 3dqa s LEU 194 Cb 0.01 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 3dqa s LEU 194 CO 0.01 -0.61 0.11 -0.76 0.23 0.00 0.00 176.35 175.34 3dqa s LEU 195 N 2.70 3.74 0.54 1.79 1.43 -1.26 -3.88 118.68 123.73 3dqa s LEU 195 Ca 0.50 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.16 3dqa s LEU 195 Cb -0.20 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 43.98 3dqa s LEU 195 CO 0.15 -0.09 1.00 -2.16 0.23 0.00 0.00 176.35 175.48 3dqa s PRO 196 N 1.63 3.84 0.71 1.29 0.04 -1.26 -4.94 135.00 136.31 3dqa s PRO 196 Ca 0.06 0.96 -0.13 0.00 0.04 0.00 0.00 61.00 61.93 3dqa s PRO 196 Cb -0.16 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.29 3dqa s PRO 196 CO 0.05 -0.37 1.10 -0.51 0.04 0.00 0.00 177.00 177.32 3dqa s ASP 197 N -3.16 4.80 0.07 6.66 1.01 -1.26 -4.00 116.67 120.79 3dqa s ASP 197 Ca 0.59 1.93 -0.36 0.00 0.71 0.00 0.00 52.55 55.42 3dqa s ASP 197 Cb -0.11 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 41.14 3dqa s ASP 197 CO 0.34 -1.84 1.52 0.59 0.21 0.00 0.00 175.17 176.00 3dqa n ASN 198 N -2.94 2.47 -0.96 0.27 4.13 -1.26 -4.84 115.26 112.13 3dqa n ASN 198 Ca 0.10 1.09 0.00 0.00 1.68 0.00 0.00 54.58 57.44 3dqa n ASN 198 Cb 0.52 -1.30 0.00 0.00 -1.54 0.00 0.00 39.78 37.46 3dqa n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dqa n HIS 199 N 3.53 -0.78 -4.02 3.10 1.44 -1.06 -4.74 115.22 112.69 3dqa n HIS 199 Ca 0.19 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.82 3dqa n HIS 199 Cb 0.23 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.25 3dqa n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3dqa s TYR 200 N -7.46 0.41 -0.14 -1.40 -0.85 -0.59 -0.65 117.35 106.67 3dqa s TYR 200 Ca 0.00 -0.89 -0.03 0.00 -0.52 0.00 0.00 57.07 55.63 3dqa s TYR 200 Cb 0.00 -0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.02 3dqa s TYR 200 CO 0.00 -0.40 -0.04 -0.51 -1.52 0.00 0.00 175.55 173.08 3dqa s LEU 201 N -2.74 3.23 -0.23 -3.49 1.43 0.14 -0.97 118.68 116.05 3dqa s LEU 201 Ca 0.04 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 3dqa s LEU 201 Cb 0.05 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 3dqa s LEU 201 CO -0.09 0.20 0.17 -0.44 0.23 0.00 0.00 176.35 176.42 3dqa s SER 202 N 0.16 6.15 -0.10 2.29 0.01 0.22 -0.70 113.70 121.73 3dqa s SER 202 Ca -0.02 0.15 -0.01 0.00 1.31 0.00 0.00 55.95 57.38 3dqa s SER 202 Cb -0.14 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 3dqa s SER 202 CO 0.03 0.08 -0.05 -0.31 0.41 0.00 0.00 173.24 173.40 3dqa s TYR 203 N 0.95 3.01 -0.04 2.43 1.51 0.40 -2.02 117.35 123.59 3dqa s TYR 203 Ca 0.08 -0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.15 3dqa s TYR 203 Cb -0.13 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 3dqa s TYR 203 CO 0.04 0.25 -0.21 -0.65 -1.11 0.00 0.00 175.55 173.86 3dqa s GLN 204 N -0.47 2.05 -0.04 -0.62 1.11 -0.19 -2.46 119.66 119.04 3dqa s GLN 204 Ca 0.07 -0.77 -0.00 0.00 0.01 0.00 0.00 55.36 54.67 3dqa s GLN 204 Cb -0.12 -1.82 0.03 0.00 -1.01 0.00 0.00 33.01 30.09 3dqa s GLN 204 CO 0.02 0.36 0.01 -1.12 0.01 0.00 0.00 175.29 174.57 3dqa s SER 205 N -0.20 0.74 -0.10 5.90 0.01 -1.26 -1.40 113.70 117.39 3dqa s SER 205 Ca -0.00 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.27 3dqa s SER 205 Cb -0.11 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.88 3dqa s SER 205 CO 0.02 -0.14 -0.20 0.00 0.41 0.00 0.00 173.24 173.33 3dqa s ALA 206 N 1.36 1.90 -0.08 1.44 0.00 -0.13 -4.59 121.76 121.66 3dqa s ALA 206 Ca -0.05 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 3dqa s ALA 206 Cb -0.13 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 3dqa s ALA 206 CO -0.02 0.16 -0.03 -0.51 0.00 0.00 0.00 175.76 175.36 3dqa s LEU 207 N 0.56 3.39 0.00 0.00 1.43 -1.26 -1.80 118.68 121.00 3dqa s LEU 207 Ca -0.15 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3dqa s LEU 207 Cb -0.17 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.30 3dqa s LEU 207 CO 0.05 0.36 0.45 -1.54 0.23 0.00 0.00 176.35 175.90 3dqa n SER 208 N 2.27 -1.25 -4.29 2.29 3.41 0.07 -4.94 113.62 111.18 3dqa n SER 208 Ca -0.18 -2.73 -0.26 0.00 -0.26 0.00 0.00 58.87 55.43 3dqa n SER 208 Cb 0.53 2.34 -0.14 0.00 -0.26 0.00 0.00 64.21 66.68 3dqa n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dqa s LYS 209 N -2.73 1.39 -0.41 4.33 -0.14 -1.26 -1.58 119.74 119.33 3dqa s LYS 209 Ca 0.26 -1.06 -0.25 0.00 -1.36 0.00 0.00 55.97 53.57 3dqa s LYS 209 Cb -0.01 -1.58 0.02 0.00 -1.68 0.00 0.00 37.83 34.58 3dqa s LYS 209 CO 0.19 0.39 0.91 0.34 -0.76 0.00 0.00 175.35 176.43 3dqa s ASP 210 N -1.44 6.58 0.60 2.83 2.15 -1.26 -4.94 116.67 121.18 3dqa s ASP 210 Ca 0.08 0.33 0.29 0.00 0.43 0.00 0.00 52.55 53.69 3dqa s ASP 210 Cb -0.09 -2.45 1.57 0.00 -0.30 0.00 0.00 42.92 41.65 3dqa s ASP 210 CO 0.03 -0.94 1.98 1.55 -0.17 0.00 0.00 175.17 177.62 3dqa h PRO 211 N 8.77 0.00 -0.27 4.34 0.13 -2.04 0.01 132.00 142.94 3dqa h PRO 211 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3dqa h PRO 211 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3dqa h PRO 211 CO 1.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.86 3dqa n ASN 212 N -3.65 2.29 -4.43 1.44 3.02 -1.26 -4.89 115.26 107.78 3dqa n ASN 212 Ca 0.05 -1.84 -0.36 0.00 -0.03 0.00 0.00 54.58 52.39 3dqa n ASN 212 Cb 0.50 -0.18 -0.13 0.00 -0.61 0.00 0.00 39.78 39.37 3dqa n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dqa s GLU 213 N -1.65 3.63 0.17 3.52 2.56 -0.01 -4.96 118.70 121.95 3dqa s GLU 213 Ca 0.34 -0.49 0.19 0.00 0.00 0.00 0.00 54.97 55.01 3dqa s GLU 213 Cb 0.19 -3.28 -0.02 0.00 2.00 0.00 0.00 34.13 33.01 3dqa s GLU 213 CO 0.27 -0.18 1.04 0.87 -0.56 0.00 0.00 175.26 176.70 3dqa h LYS 214 N 8.17 0.00 -7.28 4.30 1.57 -1.90 -3.47 116.57 117.97 3dqa h LYS 214 Ca -0.39 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.88 3dqa h LYS 214 Cb 1.17 0.00 0.11 0.00 0.08 0.00 0.00 32.23 33.59 3dqa h LYS 214 CO 0.58 0.17 0.35 1.03 -0.57 0.00 0.00 179.45 181.02 3dqa s ARG 215 N -3.12 2.64 0.01 3.15 0.52 -1.26 -4.97 118.95 115.91 3dqa s ARG 215 Ca -0.00 1.17 -0.30 0.00 -0.52 0.00 0.00 55.73 56.07 3dqa s ARG 215 Cb 0.09 -1.94 -0.06 0.00 0.52 0.00 0.00 34.95 33.56 3dqa s ARG 215 CO 0.79 -1.35 1.38 0.34 0.02 0.00 0.00 175.30 176.47 3dqa s ASP 216 N -3.26 6.87 0.22 0.23 2.15 -1.26 -4.95 116.67 116.68 3dqa s ASP 216 Ca 0.62 2.11 -0.16 0.00 0.43 0.00 0.00 52.55 55.55 3dqa s ASP 216 Cb -0.17 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.90 3dqa s ASP 216 CO 0.51 -0.69 0.51 -1.38 -0.17 0.00 0.00 175.17 173.95 3dqa s HIS 217 N 2.21 0.07 -0.03 -5.34 -3.43 -1.26 -0.99 115.29 106.53 3dqa s HIS 217 Ca 0.63 -0.44 -0.01 0.00 -0.80 0.00 0.00 55.06 54.44 3dqa s HIS 217 Cb -0.31 0.33 0.03 0.00 -1.43 0.00 0.00 32.58 31.19 3dqa s HIS 217 CO 0.27 -0.96 0.05 1.41 -2.00 0.00 0.00 174.74 173.50 3dqa s MET 218 N -3.93 -0.01 -0.21 -0.38 1.75 -0.04 -4.99 119.30 111.49 3dqa s MET 218 Ca 0.14 0.21 -0.09 0.00 -1.25 0.00 0.00 55.69 54.70 3dqa s MET 218 Cb -0.01 -0.21 -0.05 0.00 2.84 0.00 0.00 34.83 37.40 3dqa s MET 218 CO 0.02 -0.16 0.12 0.08 -0.65 0.00 0.00 175.02 174.44 3dqa s VAL 219 N 1.01 5.19 -0.08 10.11 1.01 -0.62 -0.22 120.40 136.81 3dqa s VAL 219 Ca -0.08 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3dqa s VAL 219 Cb -0.12 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.90 3dqa s VAL 219 CO -0.03 0.42 -0.16 -0.22 0.00 0.00 0.00 175.10 175.11 3dqa s LEU 220 N 0.56 1.77 -0.13 3.92 2.96 0.33 -0.75 118.68 127.34 3dqa s LEU 220 Ca 0.06 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3dqa s LEU 220 Cb -0.12 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.56 3dqa s LEU 220 CO 0.00 0.06 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.68 3dqa s LEU 221 N 0.65 1.97 0.01 -0.68 2.96 -0.74 -0.97 118.68 121.87 3dqa s LEU 221 Ca -0.14 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.27 3dqa s LEU 221 Cb -0.16 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 3dqa s LEU 221 CO 0.04 0.05 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.36 3dqa s GLU 222 N 0.95 1.13 -0.07 1.98 2.02 -0.73 -0.96 118.70 123.02 3dqa s GLU 222 Ca -0.05 -0.62 0.05 0.00 0.02 0.00 0.00 54.97 54.37 3dqa s GLU 222 Cb -0.15 -1.12 -0.01 0.00 0.10 0.00 0.00 34.13 32.95 3dqa s GLU 222 CO -0.03 0.30 -0.22 -0.06 0.02 0.00 0.00 175.26 175.26 3dqa s PHE 223 N -0.52 2.52 -0.04 1.61 0.08 -0.49 -1.07 117.98 120.06 3dqa s PHE 223 Ca 0.05 -0.65 -0.00 0.00 0.12 0.00 0.00 56.93 56.44 3dqa s PHE 223 Cb -0.06 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 3dqa s PHE 223 CO 0.00 -0.17 0.01 0.08 -0.10 0.00 0.00 175.22 175.04 3dqa s VAL 224 N -0.16 0.16 -0.05 -0.44 1.01 0.52 -1.02 120.40 120.42 3dqa s VAL 224 Ca -0.03 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3dqa s VAL 224 Cb -0.14 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 35.96 3dqa s VAL 224 CO 0.04 0.18 -0.05 -0.89 0.00 0.00 0.00 175.10 174.37 3dqa s THR 225 N 1.48 0.62 0.45 3.92 2.01 -0.85 -0.42 115.64 122.84 3dqa s THR 225 Ca -0.03 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.58 3dqa s THR 225 Cb -0.13 -0.63 -0.09 0.00 0.01 0.00 0.00 72.50 71.66 3dqa s THR 225 CO -0.03 0.24 1.02 0.00 -0.69 0.00 0.00 174.62 175.17 3dqa s ALA 226 N 0.90 2.96 0.38 7.40 0.00 -0.22 -0.61 121.76 132.57 3dqa s ALA 226 Ca -0.11 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 3dqa s ALA 226 Cb -0.14 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.78 3dqa s ALA 226 CO 0.00 -0.19 0.73 0.00 0.00 0.00 0.00 175.76 176.31 3dqa s ALA 227 N -1.92 -0.50 0.00 0.00 0.00 -0.15 -4.52 121.76 114.67 3dqa s ALA 227 Ca 0.63 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3dqa s ALA 227 Cb -0.16 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.72 3dqa s ALA 227 CO 0.21 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.42 3dqa n GLY 228 N -0.53 0.44 3.09 0.00 0.00 -1.26 -1.54 105.19 105.39 3dqa n GLY 228 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3dqa n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dqa s ILE 229 N -2.00 3.63 -2.00 -0.61 1.01 -1.26 -4.86 121.20 115.10 3dqa s ILE 229 Ca 0.00 -2.87 0.12 0.00 0.00 0.00 0.00 60.65 57.90 3dqa s ILE 229 Cb 0.00 -3.38 0.34 0.00 0.01 0.00 0.00 42.46 39.43 3dqa s ILE 229 CO 0.00 -0.85 1.15 0.35 0.00 0.00 0.00 174.94 175.59