#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqk n GLY 11 N 0.00 0.57 0.06 7.63 0.00 -1.26 -4.75 105.19 107.44 3hqk n GLY 11 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3hqk n GLY 11 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hqk h LEU 12 N 0.00 0.00 -1.27 0.99 5.85 -1.96 -3.35 115.31 115.57 3hqk h LEU 12 Ca 0.00 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 3hqk h LEU 12 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3hqk h LEU 12 CO 0.00 0.75 -0.00 -0.29 -0.34 0.00 0.00 178.44 178.56 3hqk h ILE 13 N -1.00 1.19 -0.00 4.05 6.09 -1.99 0.70 117.51 126.55 3hqk h ILE 13 Ca -0.03 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 62.72 3hqk h ILE 13 Cb 0.45 0.95 0.00 0.00 0.47 0.00 0.00 36.82 38.69 3hqk h ILE 13 CO -0.02 0.25 -0.00 -2.65 -3.07 0.00 0.00 178.15 172.67 3hqk n PRO 14 N -4.29 0.90 -0.05 2.19 -0.02 -1.26 -3.16 135.00 129.31 3hqk n PRO 14 Ca 0.01 -0.03 -0.05 0.00 -2.02 0.00 0.00 63.50 61.42 3hqk n PRO 14 Cb 0.24 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.13 3hqk n PRO 14 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hqk n VAL 15 N -1.02 0.73 -0.04 -1.45 0.31 0.05 -3.46 118.33 113.46 3hqk n VAL 15 Ca 0.22 -0.47 0.03 0.00 -0.01 0.00 0.00 64.34 64.11 3hqk n VAL 15 Cb 0.14 -0.66 0.37 0.00 -0.91 0.00 0.00 33.84 32.79 3hqk n VAL 15 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3hqk h THR 16 N 0.00 1.14 -0.21 2.52 1.35 -1.11 -2.13 112.91 114.47 3hqk h THR 16 Ca -0.29 -0.32 -0.17 0.00 -0.55 0.00 0.00 66.41 65.08 3hqk h THR 16 Cb 1.64 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3hqk h THR 16 CO 0.02 0.15 -0.52 -0.07 -0.25 0.00 0.00 175.52 174.84 3hqk h LEU 17 N 0.62 0.82 -1.87 3.87 3.38 -1.72 -2.53 115.31 117.89 3hqk h LEU 17 Ca 0.16 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 3hqk h LEU 17 Cb -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3hqk h LEU 17 CO -0.03 1.24 -0.09 -0.03 0.09 0.00 0.00 178.44 179.62 3hqk h MET 18 N 0.44 0.00 0.13 1.13 4.05 -1.54 0.76 114.93 119.88 3hqk h MET 18 Ca -0.01 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3hqk h MET 18 Cb 1.13 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 3hqk h MET 18 CO 0.11 0.09 -0.06 0.28 0.23 0.00 0.00 176.91 177.56 3hqk h VAL 19 N 0.00 0.00 -0.63 -5.77 2.07 -1.26 -1.58 116.25 109.08 3hqk h VAL 19 Ca -0.00 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.58 3hqk h VAL 19 Cb 0.17 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.82 3hqk h VAL 19 CO 0.01 0.00 -0.10 0.77 0.02 0.00 0.00 177.57 178.27 3hqk h SER 20 N -0.24 -0.47 -0.84 0.57 4.64 -1.30 0.19 113.55 116.10 3hqk h SER 20 Ca -0.02 0.18 0.21 0.00 -0.47 0.00 0.00 61.79 61.69 3hqk h SER 20 Cb 0.13 0.35 -0.14 0.00 -0.31 0.00 0.00 62.40 62.43 3hqk h SER 20 CO 0.03 -0.18 0.11 1.23 -0.87 0.00 0.00 176.83 177.15 3hqk h GLY 21 N 0.04 1.13 0.20 -0.77 0.00 0.48 -2.79 103.07 101.35 3hqk h GLY 21 Ca 0.31 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3hqk h GLY 21 CO -0.61 -0.35 0.00 -2.01 0.00 0.00 0.00 176.54 173.57 3hqk n ASN 22 N -5.31 0.00 0.00 0.19 2.85 0.67 -2.47 115.26 111.19 3hqk n ASN 22 Ca 0.18 -1.37 0.00 0.00 -0.11 0.00 0.00 54.58 53.28 3hqk n ASN 22 Cb 0.61 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.63 3hqk n ASN 22 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 3hqk n ILE 23 N -0.60 0.00 -1.32 -1.44 -5.35 -1.06 -4.06 119.36 105.52 3hqk n ILE 23 Ca 0.04 -0.11 -0.18 0.00 -0.27 0.00 0.00 62.75 62.23 3hqk n ILE 23 Cb 0.02 1.38 0.18 0.00 -1.74 0.00 0.00 39.64 39.47 3hqk n ILE 23 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 3hqk n MET 24 N -0.11 2.15 0.21 6.28 2.81 -1.03 -4.54 117.12 122.89 3hqk n MET 24 Ca 0.00 -3.10 0.15 0.00 -1.81 0.00 0.00 57.70 52.94 3hqk n MET 24 Cb 0.09 -2.07 0.67 0.00 -0.71 0.00 0.00 33.22 31.21 3hqk n MET 24 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3hqk h GLY 25 N 1.06 0.00 -3.59 3.03 0.00 -1.87 -1.57 103.07 100.14 3hqk h GLY 25 Ca 0.50 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.61 3hqk h GLY 25 CO 0.89 0.00 -0.95 -1.26 0.00 0.00 0.00 176.54 175.22 3hqk n SER 26 N -2.64 1.83 0.04 0.19 2.88 -1.26 -4.55 113.62 110.11 3hqk n SER 26 Ca 0.00 -2.54 0.08 0.00 -1.33 0.00 0.00 58.87 55.08 3hqk n SER 26 Cb 0.21 -0.40 0.51 0.00 -0.75 0.00 0.00 64.21 63.78 3hqk n SER 26 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3hqk h GLY 27 N 1.69 0.41 1.03 0.46 0.00 -1.56 -2.44 103.07 102.66 3hqk h GLY 27 Ca -0.08 -0.14 -0.34 0.00 0.00 0.00 0.00 47.33 46.76 3hqk h GLY 27 CO 0.20 0.12 -1.67 -0.39 0.00 0.00 0.00 176.54 174.80 3hqk h VAL 28 N 0.36 1.03 0.00 4.60 -1.51 -1.91 -3.30 116.25 115.52 3hqk h VAL 28 Ca 0.15 -2.59 0.00 0.00 -1.23 0.00 0.00 66.70 63.03 3hqk h VAL 28 Cb 0.15 2.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 3hqk h VAL 28 CO -0.03 0.84 0.00 0.33 -1.23 0.00 0.00 177.57 177.48 3hqk n PHE 29 N -3.59 0.76 0.03 5.19 7.35 -1.19 -4.23 117.46 121.77 3hqk n PHE 29 Ca -0.22 0.23 -0.04 0.00 -0.76 0.00 0.00 57.45 56.66 3hqk n PHE 29 Cb 1.08 -0.87 -0.02 0.00 0.35 0.00 0.00 39.48 40.02 3hqk n PHE 29 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3hqk h LEU 30 N 0.00 -0.37 -0.68 -2.13 5.85 -1.52 -3.19 115.31 113.27 3hqk h LEU 30 Ca 0.00 0.04 0.25 0.00 0.84 0.00 0.00 57.88 59.01 3hqk h LEU 30 Cb 0.67 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.71 3hqk h LEU 30 CO 0.00 -0.13 0.25 0.00 -0.34 0.00 0.00 178.44 178.22 3hqk n LEU 31 N -3.14 0.14 -0.15 2.25 -0.00 -1.26 -0.48 117.00 114.36 3hqk n LEU 31 Ca -0.02 1.14 -0.12 0.00 -0.00 0.00 0.00 56.01 57.01 3hqk n LEU 31 Cb 0.10 -0.51 -0.01 0.00 -0.00 0.00 0.00 43.42 43.00 3hqk n LEU 31 CO 0.04 -1.24 0.67 -0.65 -0.00 0.00 0.00 177.39 176.21 3hqk h PRO 32 N 0.00 0.91 0.00 1.47 0.11 -1.84 -2.84 132.00 129.80 3hqk h PRO 32 Ca 0.53 -0.39 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3hqk h PRO 32 Cb 1.31 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hqk h PRO 32 CO -0.56 1.04 -0.06 0.00 -0.21 0.00 0.00 178.00 178.22 3hqk h ALA 33 N 0.84 1.43 0.03 -0.75 0.00 -0.89 -3.17 119.26 116.76 3hqk h ALA 33 Ca 0.10 -0.05 -0.37 0.00 0.00 0.00 0.00 54.91 54.59 3hqk h ALA 33 Cb 0.76 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3hqk h ALA 33 CO 0.06 0.07 -2.11 0.27 0.00 0.00 0.00 179.25 177.54 3hqk n ASN 34 N -3.78 1.99 0.19 0.00 0.23 -1.19 -4.10 115.26 108.61 3hqk n ASN 34 Ca -0.02 0.19 0.18 0.00 -0.53 0.00 0.00 54.58 54.40 3hqk n ASN 34 Cb 0.15 -0.75 0.81 0.00 -2.08 0.00 0.00 39.78 37.91 3hqk n ASN 34 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 3hqk h LEU 35 N -0.43 0.00 -0.44 -4.53 -0.00 -1.02 0.52 115.31 109.40 3hqk h LEU 35 Ca -0.52 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.37 3hqk h LEU 35 Cb 1.75 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.38 3hqk h LEU 35 CO -0.15 0.00 0.29 0.00 -0.00 0.00 0.00 178.44 178.58 3hqk h ALA 36 N 1.59 0.56 -0.22 0.17 0.00 -1.70 -0.13 119.26 119.53 3hqk h ALA 36 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hqk h ALA 36 Cb 0.74 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hqk h ALA 36 CO -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 3hqk h ALA 37 N 1.17 0.30 -2.17 0.00 0.00 -0.30 -3.47 119.26 114.79 3hqk h ALA 37 Ca 0.17 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hqk h ALA 37 Cb -0.06 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 17.48 3hqk h ALA 37 CO -0.04 0.08 0.40 -0.08 0.00 0.00 0.00 179.25 179.60 3hqk s THR 38 N -4.80 0.00 0.00 0.00 -1.32 0.54 -4.77 115.64 105.29 3hqk s THR 38 Ca -0.14 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 3hqk s THR 38 Cb 0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 3hqk s THR 38 CO 0.75 0.00 0.68 0.61 -2.21 0.00 0.00 174.62 174.45 3hqk n GLY 39 N 0.21 0.50 1.64 6.08 0.00 -1.18 -1.50 105.19 110.93 3hqk n GLY 39 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3hqk n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqk n GLY 40 N -0.21 -0.17 0.00 -0.02 0.00 -1.26 -4.60 105.19 98.93 3hqk n GLY 40 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3hqk n GLY 40 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3hqk n ILE 41 N -3.08 0.00 0.07 -0.61 3.06 -1.26 -3.07 119.36 114.47 3hqk n ILE 41 Ca 0.00 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.12 3hqk n ILE 41 Cb 0.00 -0.36 -0.09 0.00 0.54 0.00 0.00 39.64 39.74 3hqk n ILE 41 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hqk h ALA 42 N 3.32 -0.18 -0.98 1.51 0.00 -1.88 -2.90 119.26 118.15 3hqk h ALA 42 Ca 0.00 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.94 3hqk h ALA 42 Cb 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.74 3hqk h ALA 42 CO 0.00 -0.42 0.57 0.82 0.00 0.00 0.00 179.25 180.21 3hqk h ILE 43 N -0.53 0.62 0.00 0.00 5.03 -1.90 2.23 117.51 122.97 3hqk h ILE 43 Ca -0.02 -0.22 0.00 0.00 -0.12 0.00 0.00 64.86 64.50 3hqk h ILE 43 Cb 0.42 -0.08 0.00 0.00 -3.03 0.00 0.00 36.82 34.12 3hqk h ILE 43 CO 0.03 0.12 0.00 0.00 -0.68 0.00 0.00 178.15 177.62 3hqk n TYR 44 N -4.85 0.00 0.00 1.37 4.19 -1.10 -1.83 117.16 114.95 3hqk n TYR 44 Ca 0.24 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.45 3hqk n TYR 44 Cb 0.63 -0.02 0.00 0.00 0.49 0.00 0.00 39.34 40.44 3hqk n TYR 44 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3hqk n GLY 45 N 0.10 0.51 0.15 2.98 0.00 0.73 -4.76 105.19 104.91 3hqk n GLY 45 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3hqk n GLY 45 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hqk h TRP 46 N 0.00 0.00 0.14 1.61 4.06 -0.05 -3.12 115.95 118.59 3hqk h TRP 46 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 3hqk h TRP 46 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3hqk h TRP 46 CO 0.00 0.00 -0.07 -0.07 -3.56 0.00 0.00 178.44 174.74 3hqk h LEU 47 N 0.00 -0.16 0.10 -4.49 3.38 -1.85 0.29 115.31 112.58 3hqk h LEU 47 Ca 0.00 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hqk h LEU 47 Cb 0.71 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3hqk h LEU 47 CO 0.00 -0.00 -0.32 0.58 0.09 0.00 0.00 178.44 178.79 3hqk h VAL 48 N -0.31 0.00 -0.70 1.22 2.07 -1.88 0.38 116.25 117.03 3hqk h VAL 48 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 3hqk h VAL 48 Cb 0.25 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 3hqk h VAL 48 CO 0.03 0.00 0.47 0.74 0.02 0.00 0.00 177.57 178.83 3hqk h THR 49 N -0.47 0.85 0.06 2.57 2.02 -1.56 -1.89 112.91 114.48 3hqk h THR 49 Ca -0.01 -0.15 -0.24 0.00 0.77 0.00 0.00 66.41 66.79 3hqk h THR 49 Cb 0.47 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3hqk h THR 49 CO -0.16 0.08 -1.07 0.40 0.37 0.00 0.00 175.52 175.14 3hqk h ILE 50 N 0.44 1.55 0.67 3.11 2.04 -0.11 -2.45 117.51 122.76 3hqk h ILE 50 Ca 0.33 -3.02 -0.03 0.00 1.00 0.00 0.00 64.86 63.14 3hqk h ILE 50 Cb 0.70 2.77 0.01 0.00 -0.74 0.00 0.00 36.82 39.56 3hqk h ILE 50 CO -0.10 0.88 -0.32 0.40 0.00 0.00 0.00 178.15 179.00 3hqk h ILE 51 N 0.07 0.23 -0.71 -0.67 2.04 0.28 -0.76 117.51 117.99 3hqk h ILE 51 Ca -0.08 -0.22 0.15 0.00 1.00 0.00 0.00 64.86 65.71 3hqk h ILE 51 Cb 1.78 0.29 -0.10 0.00 -0.74 0.00 0.00 36.82 38.05 3hqk h ILE 51 CO 0.16 0.02 0.20 1.23 0.00 0.00 0.00 178.15 179.76 3hqk h GLY 52 N -1.07 1.00 2.00 5.37 0.00 -1.47 0.16 103.07 109.06 3hqk h GLY 52 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3hqk h GLY 52 CO 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.53 3hqk n ALA 53 N -2.61 2.05 0.06 3.60 0.00 -0.92 -1.34 120.51 121.35 3hqk n ALA 53 Ca 0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 3hqk n ALA 53 Cb 0.42 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 3hqk n ALA 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hqk h LEU 54 N 0.00 0.12 -0.32 0.00 5.85 0.80 -2.95 115.31 118.81 3hqk h LEU 54 Ca 0.00 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3hqk h LEU 54 Cb 0.47 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3hqk h LEU 54 CO 0.00 1.11 0.02 0.00 -0.34 0.00 0.00 178.44 179.23 3hqk h ALA 55 N 0.87 0.43 -0.43 1.25 0.00 0.19 -2.43 119.26 119.15 3hqk h ALA 55 Ca -0.08 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.67 3hqk h ALA 55 Cb 1.85 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 3hqk h ALA 55 CO 0.14 0.16 0.13 -0.07 0.00 0.00 0.00 179.25 179.62 3hqk h LEU 56 N 0.36 0.12 -1.10 0.00 3.38 -1.49 -0.68 115.31 115.91 3hqk h LEU 56 Ca 0.09 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.25 3hqk h LEU 56 Cb 0.40 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 3hqk h LEU 56 CO 0.01 0.10 0.61 0.77 0.09 0.00 0.00 178.44 180.03 3hqk h SER 57 N 0.29 0.83 0.21 -0.43 4.64 -1.33 -0.94 113.55 116.82 3hqk h SER 57 Ca 0.20 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 3hqk h SER 57 Cb 0.21 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3hqk h SER 57 CO -0.22 0.42 -0.10 0.24 -0.87 0.00 0.00 176.83 176.30 3hqk h MET 58 N 0.87 -0.27 -0.74 4.77 2.86 -0.78 0.33 114.93 121.97 3hqk h MET 58 Ca 0.49 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.24 3hqk h MET 58 Cb 0.60 0.06 -0.10 0.00 0.06 0.00 0.00 31.60 32.22 3hqk h MET 58 CO -0.26 -0.18 -0.36 0.28 1.06 0.00 0.00 176.91 177.45 3hqk n VAL 59 N -2.97 -0.45 -0.30 -2.22 0.31 -0.37 0.15 118.33 112.49 3hqk n VAL 59 Ca -0.03 1.77 -0.05 0.00 -0.01 0.00 0.00 64.34 66.02 3hqk n VAL 59 Cb 0.11 -2.26 0.07 0.00 -0.91 0.00 0.00 33.84 30.86 3hqk n VAL 59 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3hqk h TYR 60 N 0.00 1.10 -0.56 3.52 0.05 -1.20 -0.26 116.97 119.61 3hqk h TYR 60 Ca 0.19 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 3hqk h TYR 60 Cb 0.37 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 3hqk h TYR 60 CO -0.71 0.76 0.32 0.00 -1.05 0.00 0.00 178.16 177.48 3hqk h ALA 61 N 1.25 0.72 -0.29 3.88 0.00 0.37 -1.46 119.26 123.72 3hqk h ALA 61 Ca 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hqk h ALA 61 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hqk h ALA 61 CO -0.05 0.23 0.08 -0.22 0.00 0.00 0.00 179.25 179.29 3hqk h LYS 62 N 0.76 0.45 -0.59 0.00 1.63 0.98 -1.07 116.57 118.73 3hqk h LYS 62 Ca 0.20 -0.10 -0.09 0.00 -0.85 0.00 0.00 60.65 59.81 3hqk h LYS 62 Cb 0.03 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 3hqk h LYS 62 CO -0.03 0.52 0.03 1.98 -3.45 0.00 0.00 179.45 178.50 3hqk h MET 63 N 0.30 1.01 -0.69 1.90 4.05 -0.99 -2.35 114.93 118.16 3hqk h MET 63 Ca 0.09 -0.29 -0.03 0.00 -0.28 0.00 0.00 59.70 59.19 3hqk h MET 63 Cb 0.26 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 3hqk h MET 63 CO -0.00 0.97 0.30 0.66 0.23 0.00 0.00 176.91 179.07 3hqk h SER 64 N 0.93 0.91 -0.36 1.39 4.64 -1.15 0.93 113.55 120.84 3hqk h SER 64 Ca 0.18 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3hqk h SER 64 Cb 0.50 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3hqk h SER 64 CO 0.02 0.79 0.17 0.77 -0.87 0.00 0.00 176.83 177.71 3hqk h SER 65 N 0.99 0.48 -0.39 4.97 4.64 -0.71 -3.13 113.55 120.41 3hqk h SER 65 Ca 0.24 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 3hqk h SER 65 Cb 0.15 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3hqk h SER 65 CO -0.03 0.49 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.23 3hqk h LEU 66 N 0.45 0.78 -7.82 5.97 3.38 -1.18 -3.47 115.31 113.43 3hqk h LEU 66 Ca 0.12 -0.38 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 3hqk h LEU 66 Cb 0.14 -0.21 -0.20 0.00 0.09 0.00 0.00 40.66 40.47 3hqk h LEU 66 CO -0.01 0.98 -0.53 -0.62 0.09 0.00 0.00 178.44 178.34 3hqk s ASP 67 N -6.42 0.09 -0.17 -0.43 2.15 0.30 -5.12 116.67 107.08 3hqk s ASP 67 Ca -0.12 -0.32 -0.02 0.00 0.43 0.00 0.00 52.55 52.52 3hqk s ASP 67 Cb 0.10 0.19 -0.01 0.00 -0.30 0.00 0.00 42.92 42.90 3hqk s ASP 67 CO 0.82 -0.38 -0.09 -2.84 -0.17 0.00 0.00 175.17 172.50 3hqk s PRO 68 N -1.62 3.36 0.51 4.34 0.02 -1.25 -3.60 135.00 136.76 3hqk s PRO 68 Ca -0.13 -0.66 -0.18 0.00 0.02 0.00 0.00 61.00 60.04 3hqk s PRO 68 Cb -0.07 -2.80 -0.08 0.00 0.02 0.00 0.00 34.50 31.57 3hqk s PRO 68 CO 0.00 -0.00 1.00 -1.12 -0.33 0.00 0.00 177.00 176.55 3hqk s SER 69 N 0.92 6.49 0.16 2.53 0.01 -1.24 -4.99 113.70 117.58 3hqk s SER 69 Ca -0.02 1.70 -0.13 0.00 1.31 0.00 0.00 55.95 58.81 3hqk s SER 69 Cb -0.15 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.60 3hqk s SER 69 CO -0.00 -0.68 1.70 1.55 0.41 0.00 0.00 173.24 176.22 3hqk h PRO 70 N 1.14 0.81 0.00 12.44 0.13 -1.83 -3.27 132.00 141.42 3hqk h PRO 70 Ca -0.48 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 3hqk h PRO 70 Cb 1.20 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3hqk h PRO 70 CO 0.60 0.73 0.00 0.41 -0.23 0.00 0.00 178.00 179.51 3hqk n GLY 71 N -0.74 4.15 0.00 1.56 0.00 0.34 -2.80 105.19 107.69 3hqk n GLY 71 Ca 0.02 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3hqk n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqk n GLY 72 N -1.63 -2.72 5.00 -0.02 0.00 -1.26 -2.85 105.19 101.71 3hqk n GLY 72 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3hqk n GLY 72 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hqk n SER 73 N 0.00 0.00 -0.19 1.61 2.88 -1.26 -3.60 113.62 113.06 3hqk n SER 73 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3hqk n SER 73 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 3hqk n SER 73 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3hqk h TYR 74 N 0.00 0.90 -0.47 0.66 3.20 -1.92 -2.80 116.97 116.54 3hqk h TYR 74 Ca 0.00 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.72 3hqk h TYR 74 Cb 0.00 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 3hqk h TYR 74 CO 0.00 0.77 0.11 0.00 -1.64 0.00 0.00 178.16 177.41 3hqk h ALA 75 N 1.02 0.62 -0.84 1.82 0.00 -1.89 -2.71 119.26 117.27 3hqk h ALA 75 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hqk h ALA 75 Cb 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3hqk h ALA 75 CO -0.00 0.31 0.41 1.88 0.00 0.00 0.00 179.25 181.85 3hqk h TYR 76 N 0.63 1.20 -0.67 0.00 0.99 -1.81 -2.19 116.97 115.11 3hqk h TYR 76 Ca 0.15 -0.05 -0.05 0.00 2.00 0.00 0.00 58.73 60.77 3hqk h TYR 76 Cb 0.33 -0.37 -0.03 0.00 1.00 0.00 0.00 36.73 37.66 3hqk h TYR 76 CO 0.02 0.86 0.22 0.00 -0.00 0.00 0.00 178.16 179.26 3hqk h ALA 77 N 1.26 0.88 -0.40 3.88 0.00 -1.42 -2.42 119.26 121.04 3hqk h ALA 77 Ca 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hqk h ALA 77 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hqk h ALA 77 CO -0.04 0.55 0.16 0.00 0.00 0.00 0.00 179.25 179.92 3hqk h ARG 78 N 0.98 0.59 -0.18 0.00 3.08 -1.08 0.63 114.38 118.40 3hqk h ARG 78 Ca 0.22 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3hqk h ARG 78 Cb 0.28 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3hqk h ARG 78 CO -0.01 0.56 0.04 0.00 -1.07 0.00 0.00 179.97 179.49 3hqk h ARG 79 N 0.50 0.29 -0.26 0.04 3.08 -1.44 2.37 114.38 118.97 3hqk h ARG 79 Ca 0.13 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 3hqk h ARG 79 Cb 0.19 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3hqk h ARG 79 CO -0.01 0.44 -0.10 0.00 -1.07 0.00 0.00 179.97 179.23 3hqk n PHE 81 N -4.50 0.00 0.00 0.00 3.01 0.22 -5.04 117.46 111.15 3hqk n PHE 81 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 3hqk n PHE 81 Cb 0.33 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 3hqk n PHE 81 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hqk n GLY 82 N 1.72 -2.32 0.34 1.37 0.00 0.80 -4.66 105.19 102.45 3hqk n GLY 82 Ca -0.00 -2.16 -0.06 0.00 0.00 0.00 0.00 46.02 43.80 3hqk n GLY 82 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqk h PRO 83 N 2.43 1.19 -0.34 1.61 0.11 -1.90 -2.29 132.00 132.81 3hqk h PRO 83 Ca 0.00 -0.22 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 3hqk h PRO 83 Cb 0.00 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 3hqk h PRO 83 CO 0.00 0.96 0.17 0.35 -0.21 0.00 0.00 178.00 179.27 3hqk h PHE 84 N 1.16 0.47 -0.53 0.65 3.57 -1.95 0.92 116.94 121.24 3hqk h PHE 84 Ca 0.27 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 3hqk h PHE 84 Cb 0.22 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3hqk h PHE 84 CO 0.02 0.40 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.36 3hqk h LEU 85 N 0.41 0.98 -0.73 0.59 3.38 -1.82 -2.54 115.31 115.59 3hqk h LEU 85 Ca 0.12 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 3hqk h LEU 85 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3hqk h LEU 85 CO -0.02 1.09 0.30 1.23 0.09 0.00 0.00 178.44 181.13 3hqk h GLY 86 N 0.86 1.16 1.01 0.83 0.00 -1.17 0.09 103.07 105.84 3hqk h GLY 86 Ca 0.14 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3hqk h GLY 86 CO 0.04 0.59 0.22 -1.82 0.00 0.00 0.00 176.54 175.57 3hqk h TYR 87 N 1.04 0.99 -0.61 5.60 5.03 -0.79 -2.43 116.97 125.80 3hqk h TYR 87 Ca 0.24 -0.09 -0.04 0.00 2.58 0.00 0.00 58.73 61.42 3hqk h TYR 87 Cb 0.20 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.16 3hqk h TYR 87 CO 0.02 0.80 0.21 0.37 -1.32 0.00 0.00 178.16 178.23 3hqk h GLN 88 N 0.89 0.93 -0.69 1.82 4.15 -1.00 -3.10 115.11 118.11 3hqk h GLN 88 Ca 0.21 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 3hqk h GLN 88 Cb 0.26 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 3hqk h GLN 88 CO -0.01 0.82 0.22 1.15 -1.93 0.00 0.00 178.83 179.08 3hqk h THR 89 N 0.86 1.25 -0.57 2.39 2.02 -0.77 -3.14 112.91 114.95 3hqk h THR 89 Ca 0.20 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 3hqk h THR 89 Cb 0.26 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3hqk h THR 89 CO -0.01 0.34 0.20 -1.13 0.37 0.00 0.00 175.52 175.29 3hqk h ASN 90 N 1.02 0.81 -0.76 4.18 -1.24 -1.37 -2.06 115.58 116.16 3hqk h ASN 90 Ca 0.22 -0.19 -0.05 0.00 0.71 0.00 0.00 56.30 56.99 3hqk h ASN 90 Cb 0.29 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.10 3hqk h ASN 90 CO -0.01 0.78 0.28 -0.37 -1.29 0.00 0.00 177.43 176.82 3hqk h VAL 91 N 0.79 1.26 0.42 2.57 -1.51 -1.56 0.15 116.25 118.39 3hqk h VAL 91 Ca 0.19 -0.85 -0.02 0.00 -1.23 0.00 0.00 66.70 64.78 3hqk h VAL 91 Cb 0.24 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 3hqk h VAL 91 CO -0.01 0.34 -0.20 -0.07 -1.23 0.00 0.00 177.57 176.40 3hqk h LEU 92 N 1.11 -0.48 -0.68 4.19 3.38 -1.48 -0.97 115.31 120.37 3hqk h LEU 92 Ca 0.25 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3hqk h LEU 92 Cb 0.25 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3hqk h LEU 92 CO -0.02 -0.18 -0.61 0.22 0.09 0.00 0.00 178.44 177.94 3hqk h TYR 93 N -0.79 0.23 0.53 1.13 3.20 -1.29 0.26 116.97 120.24 3hqk h TYR 93 Ca -0.06 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 3hqk h TYR 93 Cb 0.54 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.78 3hqk h TYR 93 CO -0.00 0.74 -0.25 2.35 -1.64 0.00 0.00 178.16 179.35 3hqk h TRP 94 N 0.13 -0.66 -0.50 -3.82 7.01 -0.70 -2.07 115.95 115.35 3hqk h TRP 94 Ca -0.01 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.02 3hqk h TRP 94 Cb 1.11 0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 28.32 3hqk h TRP 94 CO 0.02 -0.41 -0.29 1.28 -2.79 0.00 0.00 178.44 176.24 3hqk n LEU 95 N -3.97 -0.53 -0.39 0.65 4.77 -0.37 0.50 117.00 117.66 3hqk n LEU 95 Ca -0.09 1.24 0.38 0.00 -0.03 0.00 0.00 56.01 57.52 3hqk n LEU 95 Cb 0.28 -0.29 0.76 0.00 -2.33 0.00 0.00 43.42 41.84 3hqk n LEU 95 CO 0.21 -0.90 1.35 0.00 -1.33 0.00 0.00 177.39 176.73 3hqk h ALA 96 N -0.11 3.25 -0.06 -1.18 0.00 -0.50 -0.85 119.26 119.81 3hqk h ALA 96 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hqk h ALA 96 Cb 0.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hqk h ALA 96 CO -0.47 -1.63 -0.18 0.00 0.00 0.00 0.00 179.25 176.97 3hqk n TRP 98 N -4.57 0.96 -0.24 0.00 4.27 -0.67 -3.12 117.44 114.06 3hqk n TRP 98 Ca -0.08 0.31 0.04 0.00 -3.89 0.00 0.00 57.50 53.89 3hqk n TRP 98 Cb 0.41 -1.11 0.17 0.00 -1.36 0.00 0.00 31.31 29.42 3hqk n TRP 98 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 3hqk h ILE 99 N -0.57 0.62 -0.07 -1.67 2.04 -1.39 0.35 117.51 116.82 3hqk h ILE 99 Ca -0.42 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.33 3hqk h ILE 99 Cb 1.62 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3hqk h ILE 99 CO -0.12 0.07 0.05 1.23 0.00 0.00 0.00 178.15 179.37 3hqk h GLY 100 N 0.36 0.01 1.19 5.37 0.00 -1.60 -3.13 103.07 105.26 3hqk h GLY 100 Ca 0.39 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.66 3hqk h GLY 100 CO -0.43 0.00 0.18 3.43 0.00 0.00 0.00 176.54 179.73 3hqk h ASN 101 N 0.01 0.95 -0.61 0.19 4.21 -0.24 -3.25 115.58 116.85 3hqk h ASN 101 Ca 0.03 -0.18 0.01 0.00 1.21 0.00 0.00 56.30 57.37 3hqk h ASN 101 Cb 0.12 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.04 3hqk h ASN 101 CO -0.00 0.90 0.40 0.40 -1.29 0.00 0.00 177.43 177.84 3hqk h ILE 102 N 0.98 1.14 -0.50 2.81 2.04 -1.46 -2.43 117.51 120.09 3hqk h ILE 102 Ca 0.21 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 3hqk h ILE 102 Cb 0.31 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3hqk h ILE 102 CO -0.00 0.15 0.05 0.00 0.00 0.00 0.00 178.15 178.35 3hqk h ALA 103 N 1.23 1.16 -0.95 1.87 0.00 -1.74 -2.36 119.26 118.47 3hqk h ALA 103 Ca 0.23 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.07 3hqk h ALA 103 Cb -0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.44 3hqk h ALA 103 CO -0.06 0.55 0.60 0.52 0.00 0.00 0.00 179.25 180.86 3hqk h MET 104 N 0.75 0.69 0.44 0.00 2.86 -1.47 -2.73 114.93 115.47 3hqk h MET 104 Ca 0.16 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3hqk h MET 104 Cb 0.38 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3hqk h MET 104 CO 0.01 0.45 -0.21 0.28 1.06 0.00 0.00 176.91 178.50 3hqk h VAL 105 N 0.71 0.00 -0.59 -2.22 2.07 -1.27 -1.92 116.25 113.02 3hqk h VAL 105 Ca 0.50 -0.50 0.24 0.00 0.82 0.00 0.00 66.70 67.76 3hqk h VAL 105 Cb 0.83 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.50 3hqk h VAL 105 CO -0.26 0.00 0.33 0.52 0.02 0.00 0.00 177.57 178.18 3hqk n VAL 106 N -4.97 -0.22 -0.04 2.57 0.31 -1.05 0.11 118.33 115.04 3hqk n VAL 106 Ca -0.07 1.13 -0.09 0.00 -0.01 0.00 0.00 64.34 65.30 3hqk n VAL 106 Cb 0.23 -1.84 -0.14 0.00 -0.91 0.00 0.00 33.84 31.18 3hqk n VAL 106 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3hqk n ILE 107 N -4.21 1.55 0.04 2.52 -0.00 -1.12 -1.91 119.36 116.23 3hqk n ILE 107 Ca 0.22 -0.81 -0.13 0.00 -0.00 0.00 0.00 62.75 62.03 3hqk n ILE 107 Cb 0.75 -0.91 -0.09 0.00 -0.00 0.00 0.00 39.64 39.39 3hqk n ILE 107 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 3hqk h GLY 108 N 3.62 -0.08 0.63 7.39 0.00 0.16 -1.86 103.07 112.92 3hqk h GLY 108 Ca -0.34 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.04 3hqk h GLY 108 CO 0.07 -0.03 -0.19 -2.08 0.00 0.00 0.00 176.54 174.31 3hqk h VAL 109 N -0.37 0.56 -1.04 4.60 2.07 -0.71 -2.92 116.25 118.43 3hqk h VAL 109 Ca -0.01 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.82 3hqk h VAL 109 Cb 0.33 0.56 -0.13 0.00 -1.52 0.00 0.00 31.29 30.53 3hqk h VAL 109 CO 0.01 0.00 0.62 1.23 0.02 0.00 0.00 177.57 179.46 3hqk h GLY 110 N -0.35 1.80 0.69 2.17 0.00 -1.22 0.77 103.07 106.92 3hqk h GLY 110 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3hqk h GLY 110 CO -0.13 -0.36 0.00 -1.72 0.00 0.00 0.00 176.54 174.33 3hqk n TYR 111 N -4.90 0.00 -0.06 5.60 4.02 -0.71 -1.23 117.16 119.87 3hqk n TYR 111 Ca 0.30 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 58.06 3hqk n TYR 111 Cb 0.95 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.23 3hqk n TYR 111 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hqk n LEU 112 N -0.84 1.40 -1.24 7.72 4.77 0.26 -4.39 117.00 124.68 3hqk n LEU 112 Ca 0.12 0.23 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 3hqk n LEU 112 Cb 0.05 -0.54 0.25 0.00 -2.33 0.00 0.00 43.42 40.85 3hqk n LEU 112 CO 0.09 -0.01 0.66 -1.54 -1.33 0.00 0.00 177.39 175.26 3hqk n SER 113 N -3.92 3.60 -0.11 -1.43 3.41 -1.06 -2.01 113.62 112.09 3hqk n SER 113 Ca -0.23 -2.41 -0.18 0.00 -0.26 0.00 0.00 58.87 55.79 3hqk n SER 113 Cb 0.55 -0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3hqk n SER 113 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3hqk n TYR 114 N 0.57 0.00 -1.88 7.33 4.01 -0.37 -2.63 117.16 124.18 3hqk n TYR 114 Ca 0.17 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.56 3hqk n TYR 114 Cb 0.72 -0.71 -0.01 0.00 -0.31 0.00 0.00 39.34 39.03 3hqk n TYR 114 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3hqk n PHE 115 N -4.29 2.32 0.00 -0.72 -0.00 -1.25 -3.65 117.46 109.87 3hqk n PHE 115 Ca -0.32 -2.34 0.00 0.00 -0.00 0.00 0.00 57.45 54.79 3hqk n PHE 115 Cb 0.68 -1.43 0.00 0.00 -0.00 0.00 0.00 39.48 38.73 3hqk n PHE 115 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3hqk n PHE 116 N 0.64 0.00 -3.07 -5.13 -0.00 -0.85 -4.68 117.46 104.36 3hqk n PHE 116 Ca 0.53 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.56 3hqk n PHE 116 Cb 0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.78 3hqk n PHE 116 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 3hqk s PRO 117 N -1.47 3.66 0.26 -7.13 0.02 -1.24 -4.98 135.00 124.12 3hqk s PRO 117 Ca 0.00 0.07 -0.05 0.00 0.02 0.00 0.00 61.00 61.05 3hqk s PRO 117 Cb 0.00 -3.82 0.31 0.00 0.02 0.00 0.00 34.50 31.00 3hqk s PRO 117 CO 0.00 -0.80 1.90 0.82 -0.33 0.00 0.00 177.00 178.60 3hqk h ILE 118 N 5.72 1.24 -3.54 2.83 2.04 -1.49 -3.44 117.51 120.87 3hqk h ILE 118 Ca -0.26 -0.55 -0.35 0.00 1.00 0.00 0.00 64.86 64.70 3hqk h ILE 118 Cb 1.10 0.03 -0.17 0.00 -0.74 0.00 0.00 36.82 37.05 3hqk h ILE 118 CO 0.86 0.26 -0.73 -0.76 0.00 0.00 0.00 178.15 177.78 3hqk s LEU 119 N -9.91 2.46 -0.00 1.44 1.43 -1.14 -4.93 118.68 108.02 3hqk s LEU 119 Ca -0.12 -0.89 0.05 0.00 -1.03 0.00 0.00 54.13 52.14 3hqk s LEU 119 Cb 0.17 -0.39 -0.03 0.00 0.03 0.00 0.00 46.19 45.97 3hqk s LEU 119 CO 0.81 -0.26 -0.15 -1.59 0.23 0.00 0.00 176.35 175.39 3hqk s LYS 120 N -3.15 2.31 0.72 1.70 -2.85 -1.26 -4.70 119.74 112.50 3hqk s LYS 120 Ca 0.11 -0.83 -0.11 0.00 -1.00 0.00 0.00 55.97 54.14 3hqk s LYS 120 Cb -0.01 -2.30 0.02 0.00 -2.06 0.00 0.00 37.83 33.48 3hqk s LYS 120 CO 0.01 0.58 1.08 0.16 0.10 0.00 0.00 175.35 177.28 3hqk s ASP 121 N -1.13 5.30 -0.05 0.03 -4.77 -1.26 -4.49 116.67 110.30 3hqk s ASP 121 Ca 0.14 1.29 0.08 0.00 -3.30 0.00 0.00 52.55 50.76 3hqk s ASP 121 Cb -0.11 -2.12 0.12 0.00 -1.09 0.00 0.00 42.92 39.72 3hqk s ASP 121 CO 0.04 -1.45 1.00 -0.81 0.70 0.00 0.00 175.17 174.65 3hqk n PRO 122 N -3.10 0.95 -0.13 2.11 -0.04 -1.26 -4.96 135.00 128.57 3hqk n PRO 122 Ca 0.07 -1.66 -0.21 0.00 -0.04 0.00 0.00 63.50 61.66 3hqk n PRO 122 Cb 0.56 -0.98 -0.12 0.00 -0.04 0.00 0.00 33.50 32.92 3hqk n PRO 122 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hqk n LEU 123 N -0.66 2.71 -0.22 1.53 4.77 -1.26 -4.19 117.00 119.68 3hqk n LEU 123 Ca 0.07 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 3hqk n LEU 123 Cb 0.59 -0.90 0.03 0.00 -2.33 0.00 0.00 43.42 40.81 3hqk n LEU 123 CO 0.00 0.84 0.91 0.58 -1.33 0.00 0.00 177.39 178.39 3hqk h VAL 124 N -0.25 1.26 -0.78 4.08 2.07 -1.93 -3.16 116.25 117.54 3hqk h VAL 124 Ca -0.60 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 65.98 3hqk h VAL 124 Cb 1.83 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 3hqk h VAL 124 CO -0.17 0.36 0.51 -0.07 0.02 0.00 0.00 177.57 178.22 3hqk h LEU 125 N 0.91 0.86 -0.71 2.57 3.38 -1.79 -0.52 115.31 120.00 3hqk h LEU 125 Ca 0.19 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3hqk h LEU 125 Cb 0.39 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3hqk h LEU 125 CO 0.01 0.61 0.24 0.71 0.09 0.00 0.00 178.44 180.09 3hqk h THR 126 N 1.01 1.26 -0.69 0.22 1.35 -1.72 -0.18 112.91 114.16 3hqk h THR 126 Ca 0.30 -0.87 -0.04 0.00 -0.55 0.00 0.00 66.41 65.25 3hqk h THR 126 Cb -0.06 0.47 -0.03 0.00 -1.73 0.00 0.00 68.15 66.80 3hqk h THR 126 CO -0.09 0.34 0.28 -0.07 -0.25 0.00 0.00 175.52 175.73 3hqk h LEU 127 N 1.05 0.95 -0.74 3.87 3.38 -1.38 -0.60 115.31 121.84 3hqk h LEU 127 Ca 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hqk h LEU 127 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3hqk h LEU 127 CO -0.01 0.86 0.33 0.71 0.09 0.00 0.00 178.44 180.42 3hqk h THR 128 N 0.98 1.25 -0.60 0.22 1.35 -0.62 -0.27 112.91 115.22 3hqk h THR 128 Ca 0.23 -0.73 -0.03 0.00 -0.55 0.00 0.00 66.41 65.33 3hqk h THR 128 Cb 0.21 0.35 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 3hqk h THR 128 CO -0.02 0.30 0.25 0.00 -0.25 0.00 0.00 175.52 175.80 3hqk h VAL 130 N 0.83 1.24 -0.75 0.00 2.07 -0.67 0.25 116.25 119.22 3hqk h VAL 130 Ca 0.20 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 3hqk h VAL 130 Cb 0.18 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3hqk h VAL 130 CO -0.02 0.31 0.24 0.00 0.02 0.00 0.00 177.57 178.11 3hqk h ALA 131 N 1.11 0.98 -0.29 1.67 0.00 -0.57 0.22 119.26 122.37 3hqk h ALA 131 Ca 0.22 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3hqk h ALA 131 Cb 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hqk h ALA 131 CO -0.02 0.66 -0.42 -0.24 0.00 0.00 0.00 179.25 179.23 3hqk h VAL 132 N 1.11 1.29 -0.61 0.00 3.04 -0.00 -1.41 116.25 119.66 3hqk h VAL 132 Ca 0.24 -1.61 -0.03 0.00 -1.01 0.00 0.00 66.70 64.29 3hqk h VAL 132 Cb 0.30 1.62 -0.03 0.00 -2.01 0.00 0.00 31.29 31.17 3hqk h VAL 132 CO -0.01 0.52 0.26 -0.07 -1.01 0.00 0.00 177.57 177.26 3hqk h LEU 133 N 0.56 0.83 -1.13 3.16 3.38 -0.31 -2.39 115.31 119.41 3hqk h LEU 133 Ca 0.03 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3hqk h LEU 133 Cb 1.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3hqk h LEU 133 CO 0.10 0.76 0.03 -0.50 0.09 0.00 0.00 178.44 178.92 3hqk h TRP 134 N 0.84 0.66 -0.87 1.13 4.06 -0.86 0.57 115.95 121.48 3hqk h TRP 134 Ca 0.20 -0.07 0.02 0.00 2.06 0.00 0.00 58.89 61.10 3hqk h TRP 134 Cb 0.18 -0.19 -0.05 0.00 -1.00 0.00 0.00 29.16 28.10 3hqk h TRP 134 CO 0.01 0.61 0.57 0.82 -3.56 0.00 0.00 178.44 176.89 3hqk h ILE 135 N 0.61 1.19 0.21 1.49 5.03 -0.77 -0.68 117.51 124.61 3hqk h ILE 135 Ca 0.13 -0.39 -0.32 0.00 -0.12 0.00 0.00 64.86 64.15 3hqk h ILE 135 Cb 0.33 -0.05 0.03 0.00 -3.03 0.00 0.00 36.82 34.10 3hqk h ILE 135 CO 0.01 0.21 -1.46 -0.26 -0.68 0.00 0.00 178.15 175.96 3hqk h PHE 136 N 1.15 0.82 0.00 1.37 0.04 -0.97 -2.07 116.94 117.27 3hqk h PHE 136 Ca 0.33 -0.60 0.00 0.00 2.80 0.00 0.00 57.97 60.50 3hqk h PHE 136 Cb -0.08 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.03 3hqk h PHE 136 CO -0.01 1.50 0.00 1.55 -0.60 0.00 0.00 178.31 180.75 3hqk n VAL 137 N -3.65 0.81 -0.12 -0.55 3.14 0.19 -1.33 118.33 116.82 3hqk n VAL 137 Ca -0.16 0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 3hqk n VAL 137 Cb 1.08 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 3hqk n VAL 137 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3hqk n LEU 138 N -1.20 1.50 -0.00 6.55 4.77 -0.28 -4.06 117.00 124.27 3hqk n LEU 138 Ca 0.00 -1.50 0.08 0.00 -0.03 0.00 0.00 56.01 54.56 3hqk n LEU 138 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 3hqk n LEU 138 CO 0.00 0.38 -0.35 0.18 -1.33 0.00 0.00 177.39 176.26 3hqk n LEU 139 N -0.31 0.39 -0.06 2.23 4.77 -0.44 -3.76 117.00 119.81 3hqk n LEU 139 Ca 0.00 -0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 55.63 3hqk n LEU 139 Cb 0.21 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 3hqk n LEU 139 CO 0.00 0.10 0.16 0.78 -1.33 0.00 0.00 177.39 177.10 3hqk h ASN 140 N 0.00 0.00 -2.95 -1.43 4.21 -1.74 -3.28 115.58 110.39 3hqk h ASN 140 Ca 0.00 -0.56 -0.71 0.00 1.21 0.00 0.00 56.30 56.24 3hqk h ASN 140 Cb 0.55 0.00 -0.21 0.00 -1.12 0.00 0.00 38.32 37.55 3hqk h ASN 140 CO 0.00 0.83 0.08 -0.51 -1.29 0.00 0.00 177.43 176.54 3hqk s ILE 141 N -1.98 4.91 0.04 2.81 2.07 -1.26 -0.77 121.20 127.02 3hqk s ILE 141 Ca -0.12 -1.15 0.07 0.00 -1.41 0.00 0.00 60.65 58.04 3hqk s ILE 141 Cb -0.01 -4.47 -0.02 0.00 0.13 0.00 0.00 42.46 38.08 3hqk s ILE 141 CO 0.41 -1.09 -0.19 -0.69 -1.91 0.00 0.00 174.94 171.46 3hqk s VAL 142 N 2.42 1.53 0.00 4.00 1.01 -1.25 -4.25 120.40 123.86 3hqk s VAL 142 Ca 0.11 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3hqk s VAL 142 Cb -0.24 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.80 3hqk s VAL 142 CO 0.05 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3hqk n GLY 143 N 1.90 -0.03 0.46 4.51 0.00 0.05 -4.81 105.19 107.26 3hqk n GLY 143 Ca -0.17 -0.25 0.27 0.00 0.00 0.00 0.00 46.02 45.88 3hqk n GLY 143 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqk h PRO 144 N 0.00 0.16 -0.33 1.61 0.11 -1.79 1.04 132.00 132.79 3hqk h PRO 144 Ca 0.00 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 3hqk h PRO 144 Cb 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3hqk h PRO 144 CO 0.00 0.11 -0.11 0.87 -0.21 0.00 0.00 178.00 178.65 3hqk h LYS 145 N 0.16 0.66 0.00 1.05 1.79 -1.92 -3.24 116.57 115.08 3hqk h LYS 145 Ca 0.51 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 3hqk h LYS 145 Cb 1.72 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.34 3hqk h LYS 145 CO -0.11 0.85 0.00 -0.12 -1.08 0.00 0.00 179.45 178.99 3hqk n MET 146 N -4.40 0.00 -0.33 3.15 1.56 0.35 -0.98 117.12 116.46 3hqk n MET 146 Ca -0.02 0.75 0.05 0.00 -0.27 0.00 0.00 57.70 58.20 3hqk n MET 146 Cb 0.36 -1.49 0.20 0.00 2.15 0.00 0.00 33.22 34.43 3hqk n MET 146 CO 0.00 0.00 0.00 -0.84 -0.73 0.00 0.00 175.97 174.40 3hqk h ILE 147 N 0.00 0.94 -0.59 1.12 3.07 -1.26 0.35 117.51 121.14 3hqk h ILE 147 Ca 0.00 -0.32 -0.07 0.00 1.55 0.00 0.00 64.86 66.03 3hqk h ILE 147 Cb 0.00 -0.07 -0.02 0.00 -0.27 0.00 0.00 36.82 36.46 3hqk h ILE 147 CO 0.00 0.17 0.10 0.71 -1.05 0.00 0.00 178.15 178.08 3hqk h THR 148 N 0.92 1.26 -0.43 0.16 1.35 -1.57 -2.92 112.91 111.67 3hqk h THR 148 Ca 0.44 -0.98 -0.05 0.00 -0.55 0.00 0.00 66.41 65.27 3hqk h THR 148 Cb 0.39 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 67.54 3hqk h THR 148 CO -0.24 0.36 0.06 0.03 -0.25 0.00 0.00 175.52 175.47 3hqk h ARG 149 N 0.87 0.66 -0.93 4.72 3.08 0.78 -3.18 114.38 120.38 3hqk h ARG 149 Ca 0.18 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 60.13 3hqk h ARG 149 Cb 0.41 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 3hqk h ARG 149 CO 0.01 0.64 0.60 0.28 -1.07 0.00 0.00 179.97 180.43 3hqk h VAL 150 N 0.64 1.14 -3.41 2.04 2.07 -0.19 -3.39 116.25 115.15 3hqk h VAL 150 Ca 0.14 -0.40 -0.67 0.00 0.82 0.00 0.00 66.70 66.59 3hqk h VAL 150 Cb 0.32 -0.12 -0.31 0.00 -1.52 0.00 0.00 31.29 29.66 3hqk h VAL 150 CO 0.01 0.21 -0.76 0.00 0.02 0.00 0.00 177.57 177.05 3hqk s GLN 151 N -6.08 3.00 0.00 1.57 -2.07 -1.20 -3.29 119.66 111.58 3hqk s GLN 151 Ca -0.13 -0.86 0.00 0.00 -1.82 0.00 0.00 55.36 52.55 3hqk s GLN 151 Cb 0.18 -2.92 0.00 0.00 -1.09 0.00 0.00 33.01 29.18 3hqk s GLN 151 CO 0.80 -0.32 0.00 0.00 -1.32 0.00 0.00 175.29 174.46 3hqk n ALA 152 N 4.69 0.00 -0.27 2.60 0.00 -1.26 -4.45 120.51 121.83 3hqk n ALA 152 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 3hqk n ALA 152 Cb 0.48 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.99 3hqk n ALA 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hqk h VAL 153 N 0.00 1.25 0.00 0.00 2.07 -1.90 0.72 116.25 118.39 3hqk h VAL 153 Ca 0.00 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 3hqk h VAL 153 Cb 0.00 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3hqk h VAL 153 CO 0.00 0.32 -0.52 0.00 0.02 0.00 0.00 177.57 177.39 3hqk h ALA 154 N 1.14 1.08 -0.02 1.67 0.00 -1.89 -0.93 119.26 120.31 3hqk h ALA 154 Ca 0.24 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hqk h ALA 154 Cb 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hqk h ALA 154 CO -0.02 0.65 -0.03 1.79 0.00 0.00 0.00 179.25 181.64 3hqk h THR 155 N 0.00 1.42 0.65 0.00 1.35 -1.49 0.29 112.91 115.13 3hqk h THR 155 Ca -0.01 -1.29 -0.03 0.00 -0.55 0.00 0.00 66.41 64.54 3hqk h THR 155 Cb 0.96 2.24 -0.00 0.00 -1.73 0.00 0.00 68.15 69.62 3hqk h THR 155 CO 0.07 0.34 -0.40 0.58 -0.25 0.00 0.00 175.52 175.86 3hqk h VAL 156 N -0.46 0.19 -0.27 6.82 2.07 0.44 -2.87 116.25 122.16 3hqk h VAL 156 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3hqk h VAL 156 Cb 0.57 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3hqk h VAL 156 CO 0.01 0.00 -0.03 0.25 0.02 0.00 0.00 177.57 177.82 3hqk h LEU 157 N -0.99 -0.17 -2.03 2.57 5.85 -1.24 -2.22 115.31 117.07 3hqk h LEU 157 Ca -0.08 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hqk h LEU 157 Cb 0.80 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3hqk h LEU 157 CO 0.08 -0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.13 3hqk h ALA 158 N 1.25 1.00 0.00 1.25 0.00 -0.88 -2.06 119.26 119.82 3hqk h ALA 158 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hqk h ALA 158 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hqk h ALA 158 CO -0.25 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.28 3hqk n LEU 159 N -2.72 0.47 -0.01 0.00 4.77 -0.84 -2.33 117.00 116.34 3hqk n LEU 159 Ca -0.01 -0.24 -0.05 0.00 -0.03 0.00 0.00 56.01 55.68 3hqk n LEU 159 Cb 0.11 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 3hqk n LEU 159 CO 0.18 0.12 -0.39 0.52 -1.33 0.00 0.00 177.39 176.48 3hqk n VAL 160 N -0.24 1.13 0.28 4.08 0.31 -0.77 -4.12 118.33 119.00 3hqk n VAL 160 Ca 0.00 0.20 0.18 0.00 -0.01 0.00 0.00 64.34 64.71 3hqk n VAL 160 Cb 0.12 -1.80 0.94 0.00 -0.91 0.00 0.00 33.84 32.19 3hqk n VAL 160 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3hqk h PRO 161 N -0.35 0.00 0.45 5.55 0.11 -1.71 0.73 132.00 136.78 3hqk h PRO 161 Ca -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3hqk h PRO 161 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3hqk h PRO 161 CO -0.04 0.00 -0.22 0.82 -0.21 0.00 0.00 178.00 178.35 3hqk h ILE 162 N 0.00 0.52 -0.96 4.15 2.04 -1.71 -2.56 117.51 119.00 3hqk h ILE 162 Ca 0.00 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.65 3hqk h ILE 162 Cb 0.06 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 3hqk h ILE 162 CO 0.00 0.05 0.61 0.58 0.00 0.00 0.00 178.15 179.39 3hqk h VAL 163 N -0.79 1.03 0.00 1.67 2.07 -0.30 3.72 116.25 123.65 3hqk h VAL 163 Ca -0.06 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3hqk h VAL 163 Cb 0.55 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3hqk h VAL 163 CO 0.10 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.50 3hqk n GLY 164 N -1.35 -0.70 2.00 2.17 0.00 0.21 -2.19 105.19 105.32 3hqk n GLY 164 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3hqk n GLY 164 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hqk n ILE 165 N -0.54 0.00 1.26 -0.61 5.41 0.75 -4.66 119.36 120.97 3hqk n ILE 165 Ca 0.01 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.86 3hqk n ILE 165 Cb 0.01 -0.49 0.57 0.00 -0.71 0.00 0.00 39.64 39.02 3hqk n ILE 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hqk n ALA 166 N -2.65 2.24 -3.14 -1.39 0.00 1.20 -3.40 120.51 113.37 3hqk n ALA 166 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 3hqk n ALA 166 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 3hqk n ALA 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hqk n VAL 167 N -0.98 -0.10 0.14 0.00 0.31 -0.93 -4.97 118.33 111.80 3hqk n VAL 167 Ca 0.15 -4.37 -0.06 0.00 -0.01 0.00 0.00 64.34 60.05 3hqk n VAL 167 Cb 0.07 -0.13 -0.03 0.00 -0.91 0.00 0.00 33.84 32.84 3hqk n VAL 167 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 3hqk h PHE 168 N 3.00 -0.34 0.00 3.52 -0.00 -1.75 -3.43 116.94 117.93 3hqk h PHE 168 Ca 0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.04 3hqk h PHE 168 Cb 0.99 0.11 0.00 0.00 -0.00 0.00 0.00 35.95 37.05 3hqk h PHE 168 CO 0.46 -0.21 0.00 0.41 -0.00 0.00 0.00 178.31 178.96 3hqk n GLY 169 N -0.29 0.00 3.64 6.09 0.00 -1.26 -4.71 105.19 108.66 3hqk n GLY 169 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 3hqk n GLY 169 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hqk s TRP 170 N 0.00 -0.04 0.54 1.61 -0.11 -1.26 -4.82 118.94 114.85 3hqk s TRP 170 Ca 0.00 0.08 0.06 0.00 1.22 0.00 0.00 56.10 57.46 3hqk s TRP 170 Cb 0.00 0.49 0.04 0.00 -1.50 0.00 0.00 33.47 32.50 3hqk s TRP 170 CO 0.00 -0.03 0.47 -0.59 -4.62 0.00 0.00 176.95 172.18 3hqk s PHE 171 N -0.74 1.68 -0.06 5.86 -0.71 -1.26 -4.82 117.98 117.93 3hqk s PHE 171 Ca 0.08 -0.79 -0.31 0.00 -1.04 0.00 0.00 56.93 54.88 3hqk s PHE 171 Cb -0.02 -1.99 0.11 0.00 -1.21 0.00 0.00 43.02 39.92 3hqk s PHE 171 CO -0.10 -0.56 1.00 1.67 -1.34 0.00 0.00 175.22 175.89 3hqk s TRP 172 N -2.73 -0.26 -0.00 3.49 1.48 -1.26 -5.06 118.94 114.60 3hqk s TRP 172 Ca 0.40 0.15 -0.35 0.00 -1.06 0.00 0.00 56.10 55.24 3hqk s TRP 172 Cb -0.03 0.54 -0.13 0.00 -1.16 0.00 0.00 33.47 32.68 3hqk s TRP 172 CO 0.25 -0.44 1.70 1.19 -4.06 0.00 0.00 176.95 175.59 3hqk n PHE 173 N -0.21 2.20 -2.76 1.66 3.01 -1.26 -4.65 117.46 115.45 3hqk n PHE 173 Ca -0.06 0.22 -0.27 0.00 1.01 0.00 0.00 57.45 58.35 3hqk n PHE 173 Cb 0.61 -2.57 -0.01 0.00 -0.01 0.00 0.00 39.48 37.50 3hqk n PHE 173 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 3hqk s LYS 174 N 2.50 3.57 -0.14 -1.08 -2.85 -1.26 -5.00 119.74 115.48 3hqk s LYS 174 Ca 0.87 0.17 -0.12 0.00 -1.00 0.00 0.00 55.97 55.89 3hqk s LYS 174 Cb -0.75 -2.42 -0.05 0.00 -2.06 0.00 0.00 37.83 32.55 3hqk s LYS 174 CO 0.48 -0.13 0.24 0.20 0.10 0.00 0.00 175.35 176.24 3hqk s GLY 175 N -3.95 2.19 0.23 0.59 0.00 -1.26 -4.95 107.32 100.17 3hqk s GLY 175 Ca 0.47 -0.51 -0.06 0.00 0.00 0.00 0.00 44.72 44.62 3hqk s GLY 175 CO 0.42 0.19 0.50 -0.54 0.00 0.00 0.00 173.10 173.66 3hqk s GLU 176 N -0.00 3.66 0.00 2.90 2.02 -1.26 -4.08 118.70 121.94 3hqk s GLU 176 Ca 0.15 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.17 3hqk s GLU 176 Cb -0.13 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.39 3hqk s GLU 176 CO 0.04 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.04 3hqk n GLY 186 N -0.46 -0.80 3.59 -1.39 0.00 -1.26 -4.88 105.19 99.98 3hqk n GLY 186 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3hqk n GLY 186 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3hqk s MET 187 N 0.00 3.82 0.13 1.61 0.00 -1.26 -4.96 119.30 118.63 3hqk s MET 187 Ca 0.00 0.11 0.14 0.00 0.00 0.00 0.00 55.69 55.94 3hqk s MET 187 Cb 0.00 -3.75 0.64 0.00 0.00 0.00 0.00 34.83 31.72 3hqk s MET 187 CO 0.00 -0.57 1.42 -1.71 0.00 0.00 0.00 175.02 174.17 3hqk n ASN 188 N 5.77 0.27 -3.16 -1.18 5.15 -1.26 -2.67 115.26 118.18 3hqk n ASN 188 Ca -0.03 0.59 -0.19 0.00 -0.60 0.00 0.00 54.58 54.36 3hqk n ASN 188 Cb 0.49 -0.64 0.16 0.00 -0.53 0.00 0.00 39.78 39.26 3hqk n ASN 188 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3hqk n THR 189 N -1.83 0.00 -0.18 -0.44 -1.04 -1.26 -4.69 114.28 104.84 3hqk n THR 189 Ca 0.01 -0.23 -0.01 0.00 -2.04 0.00 0.00 64.05 61.77 3hqk n THR 189 Cb 0.10 -1.03 0.09 0.00 -1.82 0.00 0.00 70.33 67.67 3hqk n THR 189 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3hqk h PHE 190 N -2.45 0.26 -0.14 -1.42 0.04 -2.01 0.17 116.94 111.40 3hqk h PHE 190 Ca -0.26 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.59 3hqk h PHE 190 Cb 0.80 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.89 3hqk h PHE 190 CO 0.00 0.04 0.01 0.41 -0.60 0.00 0.00 178.31 178.17 3hqk n GLY 191 N -1.29 -0.17 0.21 -1.45 0.00 -1.26 0.67 105.19 101.90 3hqk n GLY 191 Ca 0.07 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 3hqk n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqk h ALA 192 N 0.27 0.62 -0.93 4.61 0.00 -0.42 -1.52 119.26 121.89 3hqk h ALA 192 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hqk h ALA 192 Cb 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3hqk h ALA 192 CO -0.12 0.14 0.59 0.82 0.00 0.00 0.00 179.25 180.68 3hqk h ILE 193 N 0.64 1.25 -0.71 0.00 2.04 2.12 -2.77 117.51 120.08 3hqk h ILE 193 Ca 0.17 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 3hqk h ILE 193 Cb 0.06 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.02 3hqk h ILE 193 CO -0.03 0.25 0.16 1.56 0.00 0.00 0.00 178.15 180.09 3hqk h GLN 194 N 1.27 1.14 -0.84 2.37 4.20 -1.05 0.22 115.11 122.41 3hqk h GLN 194 Ca 0.34 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3hqk h GLN 194 Cb -0.10 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.49 3hqk h GLN 194 CO -0.07 1.01 0.54 0.66 -0.67 0.00 0.00 178.83 180.31 3hqk h SER 195 N 1.08 0.98 -0.82 1.46 4.64 -1.00 -0.87 113.55 119.01 3hqk h SER 195 Ca 0.22 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 3hqk h SER 195 Cb 0.39 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 3hqk h SER 195 CO 0.01 0.72 0.38 0.74 -0.87 0.00 0.00 176.83 177.81 3hqk h THR 196 N 1.14 1.26 -0.53 2.95 2.02 -1.27 -1.74 112.91 116.74 3hqk h THR 196 Ca 0.31 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 3hqk h THR 196 Cb -0.11 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 3hqk h THR 196 CO -0.06 0.31 0.11 -0.07 0.37 0.00 0.00 175.52 176.18 3hqk h LEU 197 N 1.17 0.82 -0.66 2.58 3.38 -0.04 -0.83 115.31 121.72 3hqk h LEU 197 Ca 0.28 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hqk h LEU 197 Cb 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3hqk h LEU 197 CO -0.03 0.85 0.38 0.78 0.09 0.00 0.00 178.44 180.51 3hqk h ASN 198 N 0.75 0.60 -0.22 -0.43 4.21 -0.83 -2.59 115.58 117.07 3hqk h ASN 198 Ca 0.16 0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.66 3hqk h ASN 198 Cb 0.36 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 3hqk h ASN 198 CO 0.01 0.40 0.03 0.58 -1.29 0.00 0.00 177.43 177.15 3hqk h VAL 199 N 0.73 1.24 -0.17 2.81 2.07 -0.68 -3.39 116.25 118.85 3hqk h VAL 199 Ca 0.28 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 3hqk h VAL 199 Cb 0.12 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3hqk h VAL 199 CO -0.15 0.25 -0.19 0.71 0.02 0.00 0.00 177.57 178.20 3hqk h THR 200 N 0.16 1.34 -0.86 2.57 1.35 -0.80 -3.37 112.91 113.31 3hqk h THR 200 Ca 0.07 -1.37 0.14 0.00 -0.55 0.00 0.00 66.41 64.70 3hqk h THR 200 Cb 0.34 1.85 -0.15 0.00 -1.73 0.00 0.00 68.15 68.47 3hqk h THR 200 CO 0.01 0.41 -0.30 0.18 -0.25 0.00 0.00 175.52 175.57 3hqk n LEU 201 N -4.48 -0.49 0.00 3.87 4.77 -1.05 0.12 117.00 119.75 3hqk n LEU 201 Ca -0.06 1.50 0.07 0.00 -0.03 0.00 0.00 56.01 57.49 3hqk n LEU 201 Cb 0.40 -0.38 0.42 0.00 -2.33 0.00 0.00 43.42 41.53 3hqk n LEU 201 CO 0.41 -1.37 0.64 0.79 -1.33 0.00 0.00 177.39 176.52 3hqk n TRP 202 N -5.31 0.00 0.62 -1.77 7.02 -1.26 -2.55 117.44 114.20 3hqk n TRP 202 Ca 0.10 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.71 3hqk n TRP 202 Cb 0.37 0.00 0.31 0.00 -2.42 0.00 0.00 31.31 29.57 3hqk n TRP 202 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3hqk n SER 203 N -0.89 0.74 -1.76 -0.99 3.41 0.34 -3.60 113.62 110.86 3hqk n SER 203 Ca 0.11 0.36 -0.18 0.00 -0.26 0.00 0.00 58.87 58.90 3hqk n SER 203 Cb 0.05 -0.36 0.14 0.00 -0.26 0.00 0.00 64.21 63.78 3hqk n SER 203 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hqk n PHE 204 N -2.16 2.20 -0.21 7.33 3.72 -1.06 -4.78 117.46 122.51 3hqk n PHE 204 Ca 0.05 -2.07 -0.07 0.00 -0.05 0.00 0.00 57.45 55.31 3hqk n PHE 204 Cb 0.43 -0.76 0.03 0.00 -0.94 0.00 0.00 39.48 38.24 3hqk n PHE 204 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3hqk h ILE 205 N 1.21 1.21 0.00 4.37 1.08 -1.77 -3.37 117.51 120.23 3hqk h ILE 205 Ca 0.41 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3hqk h ILE 205 Cb 1.69 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.97 3hqk h ILE 205 CO 0.84 0.24 -1.21 0.61 -0.69 0.00 0.00 178.15 177.95 3hqk n GLY 206 N -0.92 -0.53 0.16 5.37 0.00 -1.26 -4.64 105.19 103.37 3hqk n GLY 206 Ca 0.03 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 3hqk n GLY 206 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3hqk h VAL 207 N 0.00 1.18 -0.27 1.61 3.04 -1.73 -1.75 116.25 118.34 3hqk h VAL 207 Ca 0.00 -0.56 -0.05 0.00 -1.01 0.00 0.00 66.70 65.07 3hqk h VAL 207 Cb 0.52 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 3hqk h VAL 207 CO 0.00 0.20 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.38 3hqk h GLU 208 N 0.36 0.50 -0.46 4.17 5.08 -1.84 -3.31 114.58 119.08 3hqk h GLU 208 Ca 0.10 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 3hqk h GLU 208 Cb 0.19 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3hqk h GLU 208 CO -0.01 0.70 -0.12 0.66 -1.00 0.00 0.00 179.01 179.24 3hqk h SER 209 N 0.26 0.85 -0.88 1.42 4.64 -1.82 -3.32 113.55 114.70 3hqk h SER 209 Ca 0.07 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3hqk h SER 209 Cb 0.50 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 3hqk h SER 209 CO 0.02 0.98 0.55 0.00 -0.87 0.00 0.00 176.83 177.52 3hqk h ALA 210 N 1.09 1.31 -0.95 5.18 0.00 -1.40 -2.95 119.26 121.54 3hqk h ALA 210 Ca 0.12 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3hqk h ALA 210 Cb 0.63 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3hqk h ALA 210 CO 0.04 0.61 0.61 0.66 0.00 0.00 0.00 179.25 181.17 3hqk h SER 211 N 1.21 0.99 -0.24 0.00 4.64 -1.69 -2.99 113.55 115.47 3hqk h SER 211 Ca 0.32 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.46 3hqk h SER 211 Cb -0.09 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.80 3hqk h SER 211 CO -0.06 0.64 -0.54 0.58 -0.87 0.00 0.00 176.83 176.58 3hqk h VAL 212 N 1.13 1.28 0.00 0.95 2.07 -1.71 -3.22 116.25 116.75 3hqk h VAL 212 Ca 0.40 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 3hqk h VAL 212 Cb 0.12 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3hqk h VAL 212 CO -0.16 0.56 -0.08 0.00 0.02 0.00 0.00 177.57 177.92 3hqk h ALA 213 N 0.74 1.22 -0.48 1.67 0.00 -1.38 -3.23 119.26 117.80 3hqk h ALA 213 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hqk h ALA 213 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hqk h ALA 213 CO 0.12 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3hqk n ALA 214 N -2.23 -0.35 0.00 0.00 0.00 -1.16 0.12 120.51 116.89 3hqk n ALA 214 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hqk n ALA 214 Cb 0.21 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3hqk n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hqk n GLY 215 N -0.93 0.01 0.33 0.00 0.00 -1.22 -3.71 105.19 99.66 3hqk n GLY 215 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3hqk n GLY 215 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hqk h VAL 216 N 0.00 1.00 -2.51 1.61 2.07 -1.76 -3.41 116.25 113.25 3hqk h VAL 216 Ca 0.00 -0.16 -0.60 0.00 0.82 0.00 0.00 66.70 66.77 3hqk h VAL 216 Cb 0.00 0.51 0.08 0.00 -1.52 0.00 0.00 31.29 30.36 3hqk h VAL 216 CO 0.00 0.08 0.54 1.33 0.02 0.00 0.00 177.57 179.54 3hqk n VAL 217 N -4.48 0.93 -2.34 2.57 0.24 -1.24 -4.70 118.33 109.31 3hqk n VAL 217 Ca 0.06 -0.23 -0.43 0.00 -2.04 0.00 0.00 64.34 61.70 3hqk n VAL 217 Cb 0.20 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.24 3hqk n VAL 217 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3hqk n LYS 218 N 1.98 3.14 -3.76 7.34 4.01 -1.26 -4.60 118.16 125.01 3hqk n LYS 218 Ca 0.12 -3.15 -0.12 0.00 -0.51 0.00 0.00 58.31 54.65 3hqk n LYS 218 Cb 0.30 -3.35 -0.08 0.00 -0.51 0.00 0.00 35.03 31.39 3hqk n LYS 218 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3hqk s ASN 219 N 3.54 -0.16 0.00 4.39 0.02 -1.26 -4.58 114.94 116.89 3hqk s ASN 219 Ca 0.50 -0.06 0.00 0.00 -1.02 0.00 0.00 52.86 52.27 3hqk s ASN 219 Cb 0.07 0.34 0.00 0.00 0.02 0.00 0.00 41.25 41.68 3hqk s ASN 219 CO 0.01 -0.54 0.00 -2.65 0.02 0.00 0.00 177.10 173.94 3hqk n PRO 220 N 0.89 2.79 -1.66 -0.60 -0.02 -1.26 -4.88 135.00 130.26 3hqk n PRO 220 Ca -0.20 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.14 3hqk n PRO 220 Cb 0.58 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.13 3hqk n PRO 220 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3hqk n LYS 221 N 0.00 2.86 -0.10 -0.52 2.85 -1.26 -4.48 118.16 117.51 3hqk n LYS 221 Ca 0.00 -3.84 -0.20 0.00 -1.05 0.00 0.00 58.31 53.21 3hqk n LYS 221 Cb 0.00 -2.00 -0.07 0.00 -0.65 0.00 0.00 35.03 32.31 3hqk n LYS 221 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hqk n ARG 222 N -0.79 0.43 0.28 -1.58 1.74 -1.26 -4.65 116.66 110.82 3hqk n ARG 222 Ca 0.34 0.19 -0.17 0.00 -0.77 0.00 0.00 57.85 57.44 3hqk n ARG 222 Cb 0.89 -1.22 -0.08 0.00 -1.02 0.00 0.00 32.46 31.03 3hqk n ARG 222 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3hqk h ASN 223 N -0.73 -0.94 -0.89 0.55 2.35 -1.91 -2.91 115.58 111.10 3hqk h ASN 223 Ca -0.47 0.07 0.09 0.00 -0.55 0.00 0.00 56.30 55.44 3hqk h ASN 223 Cb 1.38 0.30 -0.11 0.00 0.05 0.00 0.00 38.32 39.93 3hqk h ASN 223 CO -0.28 -0.53 -0.57 0.58 -1.65 0.00 0.00 177.43 174.97 3hqk h VAL 224 N -0.82 0.00 0.00 2.81 2.07 -1.87 0.15 116.25 118.59 3hqk h VAL 224 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3hqk h VAL 224 Cb 0.70 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3hqk h VAL 224 CO 0.01 0.00 0.00 -0.65 0.02 0.00 0.00 177.57 176.95 3hqk h PRO 225 N -0.07 0.00 0.18 1.57 0.11 -1.81 0.80 132.00 132.78 3hqk h PRO 225 Ca 0.15 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.98 3hqk h PRO 225 Cb 0.45 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.58 3hqk h PRO 225 CO -0.88 0.00 -1.29 0.82 -0.21 0.00 0.00 178.00 176.44 3hqk h ILE 226 N 0.00 1.26 -0.28 4.15 2.04 -0.62 -3.12 117.51 120.93 3hqk h ILE 226 Ca 0.00 -2.56 0.04 0.00 1.00 0.00 0.00 64.86 63.34 3hqk h ILE 226 Cb 0.26 2.99 -0.04 0.00 -0.74 0.00 0.00 36.82 39.30 3hqk h ILE 226 CO 0.00 0.77 0.03 0.00 0.00 0.00 0.00 178.15 178.95 3hqk h ALA 227 N 0.08 0.28 0.00 1.87 0.00 -0.64 0.98 119.26 121.84 3hqk h ALA 227 Ca -0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hqk h ALA 227 Cb 1.91 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3hqk h ALA 227 CO 0.18 -0.38 0.00 -2.37 0.00 0.00 0.00 179.25 176.68 3hqk n THR 228 N -5.12 0.00 0.00 0.00 5.66 0.27 -1.08 114.28 114.01 3hqk n THR 228 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3hqk n THR 228 Cb 0.14 -0.62 0.00 0.00 -1.55 0.00 0.00 70.33 68.30 3hqk n THR 228 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3hqk n ILE 229 N -0.87 0.00 0.17 1.09 2.08 -1.13 -4.66 119.36 116.04 3hqk n ILE 229 Ca 0.09 -0.01 -0.09 0.00 0.56 0.00 0.00 62.75 63.30 3hqk n ILE 229 Cb 0.04 0.22 -0.05 0.00 -0.75 0.00 0.00 39.64 39.10 3hqk n ILE 229 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3hqk h GLY 230 N 0.00 -0.53 -0.07 7.39 0.00 0.20 -1.26 103.07 108.80 3hqk h GLY 230 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.55 3hqk h GLY 230 CO 0.00 -0.19 -0.50 -1.33 0.00 0.00 0.00 176.54 174.52 3hqk h GLY 231 N -1.09 -1.14 0.27 4.60 0.00 -1.22 0.47 103.07 104.96 3hqk h GLY 231 Ca -0.05 0.67 0.14 0.00 0.00 0.00 0.00 47.33 48.09 3hqk h GLY 231 CO 0.09 -0.24 0.46 -2.08 0.00 0.00 0.00 176.54 174.76 3hqk h VAL 232 N -0.57 0.76 -0.25 4.60 2.07 -1.77 0.35 116.25 121.43 3hqk h VAL 232 Ca 0.02 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3hqk h VAL 232 Cb 0.64 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3hqk h VAL 232 CO -0.37 0.12 -0.03 0.25 0.02 0.00 0.00 177.57 177.56 3hqk h LEU 233 N 0.67 0.46 0.21 2.57 5.85 -0.79 -1.79 115.31 122.50 3hqk h LEU 233 Ca 0.46 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3hqk h LEU 233 Cb 0.62 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3hqk h LEU 233 CO -0.34 0.69 -0.23 0.40 -0.34 0.00 0.00 178.44 178.62 3hqk h ILE 234 N 0.23 0.00 0.00 4.05 2.04 0.13 -2.84 117.51 121.12 3hqk h ILE 234 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3hqk h ILE 234 Cb 0.47 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3hqk h ILE 234 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.17 3hqk n ALA 235 N -2.52 2.02 0.05 1.87 0.00 0.11 -1.23 120.51 120.81 3hqk n ALA 235 Ca -0.05 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 3hqk n ALA 235 Cb 0.20 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.27 3hqk n ALA 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk h ALA 236 N 2.89 0.16 0.51 0.00 0.00 -1.13 -3.00 119.26 118.69 3hqk h ALA 236 Ca 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 54.91 53.77 3hqk h ALA 236 Cb 0.02 0.46 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hqk h ALA 236 CO 0.00 0.94 -0.25 0.28 0.00 0.00 0.00 179.25 180.22 3hqk h VAL 237 N -0.05 0.36 -0.70 0.00 2.07 -1.05 -2.21 116.25 114.67 3hqk h VAL 237 Ca -0.33 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 66.87 3hqk h VAL 237 Cb 1.97 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 32.13 3hqk h VAL 237 CO 0.13 0.05 -0.33 0.00 0.02 0.00 0.00 177.57 177.45 3hqk h TYR 239 N 0.00 -0.03 -0.47 0.00 0.99 -1.55 -1.06 116.97 114.84 3hqk h TYR 239 Ca 0.19 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 61.00 3hqk h TYR 239 Cb 0.37 0.01 -0.07 0.00 1.00 0.00 0.00 36.73 38.04 3hqk h TYR 239 CO -0.66 -0.02 0.08 0.28 -0.00 0.00 0.00 178.16 177.85 3hqk h VAL 240 N -0.03 0.73 -0.05 -2.88 2.07 -0.60 0.37 116.25 115.86 3hqk h VAL 240 Ca -0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3hqk h VAL 240 Cb 0.02 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3hqk h VAL 240 CO 0.00 0.04 0.01 -0.07 0.02 0.00 0.00 177.57 177.57 3hqk h LEU 241 N 0.22 0.09 0.76 2.57 3.38 -0.97 -2.52 115.31 118.83 3hqk h LEU 241 Ca 0.23 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hqk h LEU 241 Cb 0.31 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hqk h LEU 241 CO -0.31 0.33 -0.50 -1.28 0.09 0.00 0.00 178.44 176.76 3hqk h SER 242 N -0.16 -1.28 0.00 -0.43 0.87 -0.37 -1.30 113.55 110.88 3hqk h SER 242 Ca 0.02 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3hqk h SER 242 Cb 0.28 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3hqk h SER 242 CO 0.00 -0.75 0.00 0.35 -0.53 0.00 0.00 176.83 175.90 3hqk n THR 243 N -5.62 0.00 -0.11 2.23 -2.24 0.12 -1.79 114.28 106.87 3hqk n THR 243 Ca -0.15 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.42 3hqk n THR 243 Cb 0.50 -0.39 -0.12 0.00 -2.10 0.00 0.00 70.33 68.22 3hqk n THR 243 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hqk n THR 244 N -0.83 1.56 0.71 4.28 -2.24 -0.95 -4.43 114.28 112.38 3hqk n THR 244 Ca 0.14 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3hqk n THR 244 Cb 0.06 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 3hqk n THR 244 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqk n ALA 245 N -3.40 2.17 0.00 6.98 0.00 -0.50 -2.58 120.51 123.18 3hqk n ALA 245 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3hqk n ALA 245 Cb 0.96 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3hqk n ALA 245 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3hqk n ILE 246 N 0.52 0.00 -2.79 0.00 -6.64 -1.16 -3.90 119.36 105.39 3hqk n ILE 246 Ca 0.00 0.00 -0.23 0.00 -1.77 0.00 0.00 62.75 60.75 3hqk n ILE 246 Cb 0.31 -0.79 -0.01 0.00 -1.44 0.00 0.00 39.64 37.70 3hqk n ILE 246 CO 0.00 0.00 0.00 0.23 -1.77 0.00 0.00 176.55 175.01 3hqk n MET 247 N -1.74 2.61 -1.99 6.28 2.81 -1.06 -2.54 117.12 121.49 3hqk n MET 247 Ca 0.00 -4.26 -0.12 0.00 -1.81 0.00 0.00 57.70 51.51 3hqk n MET 247 Cb 0.40 -2.00 0.05 0.00 -0.71 0.00 0.00 33.22 30.96 3hqk n MET 247 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hqk n GLY 248 N -0.21 1.43 0.00 3.03 0.00 -1.24 -4.67 105.19 103.54 3hqk n GLY 248 Ca 0.29 -2.11 0.03 0.00 0.00 0.00 0.00 46.02 44.23 3hqk n GLY 248 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3hqk n MET 249 N -1.88 2.08 -0.15 1.61 0.00 -1.20 -3.60 117.12 113.98 3hqk n MET 249 Ca 0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 57.70 57.67 3hqk n MET 249 Cb 0.35 -0.98 -0.01 0.00 0.00 0.00 0.00 33.22 32.58 3hqk n MET 249 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 3hqk h ILE 250 N 0.00 1.24 -0.53 3.17 2.04 -1.79 -3.36 117.51 118.28 3hqk h ILE 250 Ca 0.00 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3hqk h ILE 250 Cb 0.20 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3hqk h ILE 250 CO 0.00 0.29 0.00 -2.65 0.00 0.00 0.00 178.15 175.79 3hqk n PRO 251 N -4.51 3.18 -1.36 2.37 -0.02 -1.05 -4.50 135.00 129.11 3hqk n PRO 251 Ca -0.00 -2.60 -0.36 0.00 -2.02 0.00 0.00 63.50 58.52 3hqk n PRO 251 Cb 0.23 -1.64 0.08 0.00 -0.02 0.00 0.00 33.50 32.15 3hqk n PRO 251 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3hqk n ASN 252 N 0.86 -0.02 -2.31 2.55 6.94 -1.26 -3.62 115.26 118.40 3hqk n ASN 252 Ca 0.21 0.66 0.00 0.00 -0.02 0.00 0.00 54.58 55.43 3hqk n ASN 252 Cb 0.70 -1.34 0.00 0.00 -2.36 0.00 0.00 39.78 36.78 3hqk n ASN 252 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hqk n ALA 253 N -2.38 0.00 -0.14 -2.53 0.00 -1.26 -4.75 120.51 109.45 3hqk n ALA 253 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 3hqk n ALA 253 Cb 0.49 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.99 3hqk n ALA 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk h ALA 254 N -2.00 0.43 0.00 0.00 0.00 -1.94 -2.18 119.26 113.57 3hqk h ALA 254 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hqk h ALA 254 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hqk h ALA 254 CO 0.00 -0.38 0.00 -0.07 0.00 0.00 0.00 179.25 178.80 3hqk h LEU 255 N 0.12 0.00 -0.27 0.00 3.38 -1.94 -1.36 115.31 115.24 3hqk h LEU 255 Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 3hqk h LEU 255 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hqk h LEU 255 CO -0.37 0.00 -0.15 0.03 0.09 0.00 0.00 178.44 178.04 3hqk h ARG 256 N 0.00 0.58 -0.06 1.13 2.47 -1.56 -3.29 114.38 113.64 3hqk h ARG 256 Ca 0.00 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 3hqk h ARG 256 Cb 0.22 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3hqk h ARG 256 CO 0.00 0.83 0.00 1.33 0.56 0.00 0.00 179.97 182.69 3hqk n VAL 257 N -4.43 0.06 -0.32 2.04 0.24 -1.00 -4.20 118.33 110.72 3hqk n VAL 257 Ca -0.04 -0.53 -0.04 0.00 -2.04 0.00 0.00 64.34 61.69 3hqk n VAL 257 Cb 0.37 1.39 0.08 0.00 -1.47 0.00 0.00 33.84 34.22 3hqk n VAL 257 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3hqk h SER 258 N 4.19 1.09 -0.28 -1.34 0.87 -1.33 -3.06 113.55 113.69 3hqk h SER 258 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3hqk h SER 258 Cb 0.90 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3hqk h SER 258 CO 0.00 0.89 0.00 0.00 -0.53 0.00 0.00 176.83 177.19 3hqk n ALA 259 N -2.40 2.56 -3.64 6.23 0.00 -1.26 -4.86 120.51 117.13 3hqk n ALA 259 Ca 0.09 -1.74 -0.32 0.00 0.00 0.00 0.00 53.44 51.47 3hqk n ALA 259 Cb 0.11 -0.55 -0.17 0.00 0.00 0.00 0.00 19.45 18.84 3hqk n ALA 259 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hqk s SER 260 N -1.51 2.95 0.30 0.00 1.04 -1.16 -5.09 113.70 110.24 3hqk s SER 260 Ca 0.32 -0.56 -0.30 0.00 0.48 0.00 0.00 55.95 55.89 3hqk s SER 260 Cb 0.23 -1.36 -0.12 0.00 0.10 0.00 0.00 66.02 64.87 3hqk s SER 260 CO 0.11 0.07 1.53 -2.65 0.98 0.00 0.00 173.24 173.28 3hqk n PRO 261 N 4.07 2.54 -1.47 4.02 -0.02 -1.26 -4.83 135.00 138.06 3hqk n PRO 261 Ca -0.20 0.90 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 3hqk n PRO 261 Cb 0.52 -2.64 0.08 0.00 -0.02 0.00 0.00 33.50 31.43 3hqk n PRO 261 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3hqk s PHE 262 N -0.23 2.83 0.00 6.00 5.36 -1.26 -4.65 117.98 126.04 3hqk s PHE 262 Ca 0.63 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.94 3hqk s PHE 262 Cb -0.52 -3.02 0.00 0.00 -0.34 0.00 0.00 43.02 39.14 3hqk s PHE 262 CO 0.52 -1.64 0.00 0.41 -1.46 0.00 0.00 175.22 173.04 3hqk n GLY 263 N -1.79 1.97 0.32 13.12 0.00 -1.26 -4.86 105.19 112.69 3hqk n GLY 263 Ca 0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 3hqk n GLY 263 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hqk h ASP 264 N 0.00 0.77 -0.78 1.61 5.19 -1.97 -2.83 116.42 118.42 3hqk h ASP 264 Ca 0.00 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 3hqk h ASP 264 Cb 0.00 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.27 3hqk h ASP 264 CO 0.00 0.67 0.49 0.00 -3.12 0.00 0.00 179.24 177.28 3hqk h ALA 265 N 1.45 1.38 -0.75 3.45 0.00 -1.89 -2.95 119.26 119.95 3hqk h ALA 265 Ca 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3hqk h ALA 265 Cb 0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3hqk h ALA 265 CO -0.03 0.55 0.36 0.00 0.00 0.00 0.00 179.25 180.14 3hqk h ALA 266 N 1.46 1.23 0.00 0.00 0.00 -1.79 -2.07 119.26 118.09 3hqk h ALA 266 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hqk h ALA 266 Cb -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3hqk h ALA 266 CO -0.06 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.33 3hqk n ARG 267 N -4.32 0.45 0.07 0.00 1.74 -1.11 0.40 116.66 113.88 3hqk n ARG 267 Ca 0.07 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.04 3hqk n ARG 267 Cb 0.13 -1.35 -0.13 0.00 -1.02 0.00 0.00 32.46 30.09 3hqk n ARG 267 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hqk h MET 268 N 0.00 0.11 0.00 5.56 -0.00 -1.49 0.16 114.93 119.27 3hqk h MET 268 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 3hqk h MET 268 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 31.60 31.67 3hqk h MET 268 CO 0.00 1.03 0.00 0.00 -0.00 0.00 0.00 176.91 177.94 3hqk n ALA 269 N -2.46 1.27 0.87 -3.00 0.00 -0.32 -4.57 120.51 112.30 3hqk n ALA 269 Ca -0.06 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.45 3hqk n ALA 269 Cb 0.99 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.92 3hqk n ALA 269 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hqk n LEU 270 N -0.48 0.33 -0.25 0.00 7.94 0.16 -4.86 117.00 119.84 3hqk n LEU 270 Ca 0.00 0.43 -0.02 0.00 -1.11 0.00 0.00 56.01 55.31 3hqk n LEU 270 Cb 0.02 -0.40 -0.00 0.00 0.53 0.00 0.00 43.42 43.57 3hqk n LEU 270 CO 0.00 -0.03 -0.03 0.61 -1.11 0.00 0.00 177.39 176.83 3hqk n GLY 271 N 1.44 0.36 0.09 -3.96 0.00 -1.26 -4.97 105.19 96.88 3hqk n GLY 271 Ca 0.06 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 3hqk n GLY 271 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hqk n ASP 272 N 1.56 0.65 0.00 1.61 8.00 -1.19 -5.06 116.55 122.12 3hqk n ASP 272 Ca -0.03 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.78 3hqk n ASP 272 Cb 0.39 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3hqk n ASP 272 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hqk n THR 273 N -2.96 0.00 -4.08 -3.53 -1.04 0.55 -4.84 114.28 98.38 3hqk n THR 273 Ca -0.20 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.72 3hqk n THR 273 Cb 1.07 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.48 3hqk n THR 273 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hqk s ALA 274 N -1.91 0.54 0.73 2.41 0.00 -1.26 -4.70 121.76 117.57 3hqk s ALA 274 Ca 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 3hqk s ALA 274 Cb 0.00 0.53 0.12 0.00 0.00 0.00 0.00 23.12 23.77 3hqk s ALA 274 CO 0.00 -0.44 1.02 0.20 0.00 0.00 0.00 175.76 176.54 3hqk s GLY 275 N -2.96 1.76 -1.04 0.00 0.00 -1.26 -5.05 107.32 98.77 3hqk s GLY 275 Ca 0.13 -1.47 -0.23 0.00 0.00 0.00 0.00 44.72 43.15 3hqk s GLY 275 CO -0.05 -0.94 1.76 0.00 0.00 0.00 0.00 173.10 173.87 3hqk s ALA 276 N -3.22 2.23 0.03 3.20 0.00 -1.26 -4.69 121.76 118.05 3hqk s ALA 276 Ca 0.65 -2.04 0.14 0.00 0.00 0.00 0.00 51.96 50.71 3hqk s ALA 276 Cb -0.07 -4.58 0.22 0.00 0.00 0.00 0.00 23.12 18.69 3hqk s ALA 276 CO 0.45 -4.32 1.51 0.97 0.00 0.00 0.00 175.76 174.37 3hqk h ILE 277 N 6.70 1.09 0.00 0.00 2.10 -1.96 -3.32 117.51 122.12 3hqk h ILE 277 Ca 0.20 -2.25 0.01 0.00 1.08 0.00 0.00 64.86 63.90 3hqk h ILE 277 Cb 0.98 2.34 -0.03 0.00 -1.09 0.00 0.00 36.82 39.02 3hqk h ILE 277 CO 1.31 0.56 -0.27 0.58 -1.08 0.00 0.00 178.15 179.25 3hqk h VAL 278 N 0.00 0.00 0.00 2.19 2.07 -1.97 -1.74 116.25 116.81 3hqk h VAL 278 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hqk h VAL 278 Cb 1.29 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3hqk h VAL 278 CO 0.07 0.00 0.27 -0.24 0.02 0.00 0.00 177.57 177.69 3hqk n SER 279 N -4.00 0.29 0.06 0.57 2.88 -1.25 -1.30 113.62 110.88 3hqk n SER 279 Ca -0.04 0.52 -0.06 0.00 -1.33 0.00 0.00 58.87 57.97 3hqk n SER 279 Cb 0.20 -0.48 -0.10 0.00 -0.75 0.00 0.00 64.21 63.08 3hqk n SER 279 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3hqk h PHE 280 N 0.00 0.00 0.00 0.66 0.04 -1.43 -3.22 116.94 112.99 3hqk h PHE 280 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hqk h PHE 280 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 3hqk h PHE 280 CO 0.00 0.92 -1.81 0.00 -0.60 0.00 0.00 178.31 176.82 3hqk n ALA 282 N -2.12 2.66 0.18 0.00 0.00 -0.91 -1.27 120.51 119.05 3hqk n ALA 282 Ca -0.03 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.28 3hqk n ALA 282 Cb 0.47 -1.42 0.03 0.00 0.00 0.00 0.00 19.45 18.53 3hqk n ALA 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk h ALA 283 N 3.82 0.51 0.08 0.00 0.00 -1.71 -3.39 119.26 118.57 3hqk h ALA 283 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hqk h ALA 283 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hqk h ALA 283 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 3hqk h ALA 284 N 2.08 -0.11 -1.01 0.00 0.00 -1.34 -3.25 119.26 115.64 3hqk h ALA 284 Ca 0.00 -0.13 0.33 0.00 0.00 0.00 0.00 54.91 55.11 3hqk h ALA 284 Cb 0.96 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.64 3hqk h ALA 284 CO 0.00 -0.11 0.57 0.78 0.00 0.00 0.00 179.25 180.49 3hqk h GLY 285 N -1.00 2.07 1.00 0.00 0.00 -1.60 0.39 103.07 103.92 3hqk h GLY 285 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3hqk h GLY 285 CO 0.02 -0.50 0.29 0.00 0.00 0.00 0.00 176.54 176.34 3hqk h LEU 287 N 0.88 1.04 -0.78 0.00 3.38 -0.36 -1.65 115.31 117.82 3hqk h LEU 287 Ca 0.22 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3hqk h LEU 287 Cb 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3hqk h LEU 287 CO -0.02 0.96 0.28 1.23 0.09 0.00 0.00 178.44 180.98 3hqk h GLY 288 N 1.07 1.27 1.95 0.83 0.00 -0.68 -2.44 103.07 105.07 3hqk h GLY 288 Ca 0.24 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3hqk h GLY 288 CO -0.01 0.68 -0.14 1.48 0.00 0.00 0.00 176.54 178.55 3hqk h SER 289 N 1.14 0.06 -0.74 0.19 4.64 -0.54 -3.24 113.55 115.07 3hqk h SER 289 Ca 0.25 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.59 3hqk h SER 289 Cb 0.26 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.29 3hqk h SER 289 CO -0.01 0.21 0.47 -0.07 -0.87 0.00 0.00 176.83 176.56 3hqk h LEU 290 N 0.07 0.79 -0.31 5.97 3.38 -0.80 -1.07 115.31 123.34 3hqk h LEU 290 Ca 0.01 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3hqk h LEU 290 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hqk h LEU 290 CO 0.02 0.56 -0.29 1.23 0.09 0.00 0.00 178.44 180.05 3hqk h GLY 291 N 0.94 0.81 -0.02 0.83 0.00 -1.69 -2.16 103.07 101.78 3hqk h GLY 291 Ca 0.29 -0.82 0.12 0.00 0.00 0.00 0.00 47.33 46.92 3hqk h GLY 291 CO -0.09 0.74 -0.03 -1.33 0.00 0.00 0.00 176.54 175.83 3hqk h GLY 292 N 0.51 0.57 1.68 4.60 0.00 -1.53 0.14 103.07 109.04 3hqk h GLY 292 Ca 0.05 0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.32 3hqk h GLY 292 CO 0.07 -0.19 -0.66 1.49 0.00 0.00 0.00 176.54 177.26 3hqk h TRP 293 N 0.09 0.43 -0.11 5.60 4.06 -0.89 -2.46 115.95 122.67 3hqk h TRP 293 Ca 0.30 -0.18 -0.16 0.00 2.06 0.00 0.00 58.89 60.91 3hqk h TRP 293 Cb 0.47 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 3hqk h TRP 293 CO -0.37 0.89 -0.62 1.79 -3.56 0.00 0.00 178.44 176.57 3hqk h THR 294 N 0.23 1.36 -0.22 1.49 1.35 -0.95 -0.98 112.91 115.19 3hqk h THR 294 Ca -0.02 -1.95 0.04 0.00 -0.55 0.00 0.00 66.41 63.93 3hqk h THR 294 Cb 1.20 1.95 -0.07 0.00 -1.73 0.00 0.00 68.15 69.49 3hqk h THR 294 CO 0.11 0.59 -0.51 0.25 -0.25 0.00 0.00 175.52 175.71 3hqk h LEU 295 N 0.29 -1.65 -1.41 3.87 5.85 -0.42 0.40 115.31 122.24 3hqk h LEU 295 Ca -0.01 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hqk h LEU 295 Cb 1.15 0.66 -0.03 0.00 0.37 0.00 0.00 40.66 42.82 3hqk h LEU 295 CO 0.11 -0.45 0.38 -0.07 -0.34 0.00 0.00 178.44 178.07 3hqk h LEU 296 N -0.50 0.68 -0.42 2.25 3.38 -1.23 0.22 115.31 119.68 3hqk h LEU 296 Ca 0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hqk h LEU 296 Cb 0.65 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3hqk h LEU 296 CO -0.48 0.50 0.20 0.00 0.09 0.00 0.00 178.44 178.75 3hqk h ALA 297 N 1.62 0.55 -0.41 1.53 0.00 0.23 -2.52 119.26 120.26 3hqk h ALA 297 Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hqk h ALA 297 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3hqk h ALA 297 CO -0.05 0.11 0.05 0.78 0.00 0.00 0.00 179.25 180.14 3hqk h GLY 298 N 0.54 0.75 0.59 0.00 0.00 0.99 -3.07 103.07 102.88 3hqk h GLY 298 Ca 0.15 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3hqk h GLY 298 CO -0.02 0.48 -0.37 1.46 0.00 0.00 0.00 176.54 178.09 3hqk h GLN 299 N 0.54 -0.87 0.00 4.80 1.08 -0.87 -1.32 115.11 118.48 3hqk h GLN 299 Ca 0.12 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3hqk h GLN 299 Cb 0.41 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3hqk h GLN 299 CO 0.01 -0.58 0.00 1.79 -0.95 0.00 0.00 178.83 179.10 3hqk h THR 300 N -0.90 0.00 0.06 -0.54 1.35 -1.56 0.10 112.91 111.42 3hqk h THR 300 Ca -0.08 -0.15 -0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3hqk h THR 300 Cb 0.72 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3hqk h THR 300 CO 0.08 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.32 3hqk h ALA 301 N 2.04 -0.08 0.00 6.62 0.00 -1.41 -2.77 119.26 123.67 3hqk h ALA 301 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hqk h ALA 301 Cb 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hqk h ALA 301 CO 0.00 -0.26 -0.00 -0.22 0.00 0.00 0.00 179.25 178.77 3hqk h LYS 302 N -0.66 -0.01 -0.58 0.00 3.64 0.29 0.62 116.57 119.88 3hqk h LYS 302 Ca -0.01 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3hqk h LYS 302 Cb 0.56 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 3hqk h LYS 302 CO 0.01 -0.00 -0.23 0.00 -2.27 0.00 0.00 179.45 176.96 3hqk n ALA 303 N -2.44 -0.08 -0.02 5.00 0.00 0.01 0.13 120.51 123.12 3hqk n ALA 303 Ca -0.00 0.57 -0.16 0.00 0.00 0.00 0.00 53.44 53.86 3hqk n ALA 303 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 3hqk n ALA 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk h ALA 304 N 0.79 0.38 0.04 0.00 0.00 -1.16 -2.71 119.26 116.60 3hqk h ALA 304 Ca 0.20 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3hqk h ALA 304 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hqk h ALA 304 CO -0.57 0.69 -0.14 0.00 0.00 0.00 0.00 179.25 179.23 3hqk h ALA 305 N 0.64 -0.20 -1.27 0.00 0.00 0.69 -2.11 119.26 117.00 3hqk h ALA 305 Ca -0.04 -0.01 0.37 0.00 0.00 0.00 0.00 54.91 55.23 3hqk h ALA 305 Cb 1.35 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 3hqk h ALA 305 CO 0.15 -0.65 0.88 -0.44 0.00 0.00 0.00 179.25 179.20 3hqk h ASP 306 N -0.26 0.13 -4.23 0.00 3.32 0.86 -3.40 116.42 112.84 3hqk h ASP 306 Ca 0.03 0.03 -0.22 0.00 0.02 0.00 0.00 57.03 56.89 3hqk h ASP 306 Cb 0.30 0.02 0.05 0.00 0.22 0.00 0.00 39.33 39.91 3hqk h ASP 306 CO -0.11 -0.00 0.07 0.47 -1.72 0.00 0.00 179.24 177.95 3hqk n ASP 307 N -4.31 0.60 -0.31 6.45 8.00 -0.80 -5.00 116.55 121.19 3hqk n ASP 307 Ca 0.29 -1.53 -0.03 0.00 0.71 0.00 0.00 54.79 54.23 3hqk n ASP 307 Cb 1.28 -0.33 0.12 0.00 -0.02 0.00 0.00 41.12 42.17 3hqk n ASP 307 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3hqk h GLY 308 N -0.34 1.29 -2.44 0.44 0.00 -1.77 -3.45 103.07 96.80 3hqk h GLY 308 Ca -0.17 -0.58 -0.51 0.00 0.00 0.00 0.00 47.33 46.08 3hqk h GLY 308 CO 0.17 0.56 0.47 1.08 0.00 0.00 0.00 176.54 178.82 3hqk s LEU 309 N -9.88 3.87 0.00 3.11 1.02 -1.21 -4.93 118.68 110.66 3hqk s LEU 309 Ca -0.12 2.30 0.00 0.00 0.02 0.00 0.00 54.13 56.32 3hqk s LEU 309 Cb 0.17 -4.40 0.00 0.00 0.02 0.00 0.00 46.19 41.98 3hqk s LEU 309 CO 0.82 -1.13 0.00 0.33 0.02 0.00 0.00 176.35 176.39 3hqk n PHE 310 N -0.92 0.00 -2.82 0.29 -0.00 -1.26 -2.45 117.46 110.30 3hqk n PHE 310 Ca 0.10 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.14 3hqk n PHE 310 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.92 3hqk n PHE 310 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 3hqk s PRO 311 N -1.37 4.64 0.29 -7.13 0.02 -1.26 -4.84 135.00 125.35 3hqk s PRO 311 Ca 0.00 1.32 -0.02 0.00 0.02 0.00 0.00 61.00 62.32 3hqk s PRO 311 Cb 0.00 -3.36 0.43 0.00 0.02 0.00 0.00 34.50 31.60 3hqk s PRO 311 CO 0.00 0.29 1.96 -1.35 -0.33 0.00 0.00 177.00 177.57 3hqk h PRO 312 N 5.39 1.10 -1.07 5.54 0.11 -1.91 -1.95 132.00 139.22 3hqk h PRO 312 Ca -0.44 -0.07 0.31 0.00 0.11 0.00 0.00 66.00 65.92 3hqk h PRO 312 Cb 1.21 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 3hqk h PRO 312 CO 0.71 0.73 1.19 0.82 -0.21 0.00 0.00 178.00 181.24 3hqk h ILE 313 N 1.14 0.02 -0.03 4.15 5.03 -1.97 1.29 117.51 127.15 3hqk h ILE 313 Ca 0.32 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.06 3hqk h ILE 313 Cb -0.10 0.04 0.00 0.00 -3.03 0.00 0.00 36.82 33.74 3hqk h ILE 313 CO -0.08 0.00 0.00 0.49 -0.68 0.00 0.00 178.15 177.88 3hqk n PHE 314 N -3.33 0.04 -3.73 1.37 3.72 -0.73 -4.36 117.46 110.44 3hqk n PHE 314 Ca 0.24 -0.02 -0.30 0.00 -0.05 0.00 0.00 57.45 57.32 3hqk n PHE 314 Cb 1.51 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.91 3hqk n PHE 314 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hqk s ALA 315 N -1.96 1.87 0.00 4.37 0.00 0.44 -3.53 121.76 122.95 3hqk s ALA 315 Ca 0.26 -2.14 0.05 0.00 0.00 0.00 0.00 51.96 50.13 3hqk s ALA 315 Cb 0.12 -1.76 0.09 0.00 0.00 0.00 0.00 23.12 21.57 3hqk s ALA 315 CO 0.20 -1.86 0.89 0.54 0.00 0.00 0.00 175.76 175.53 3hqk n ARG 316 N 4.20 0.00 -0.89 0.00 1.74 -1.26 -5.03 116.66 115.43 3hqk n ARG 316 Ca 0.04 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 3hqk n ARG 316 Cb 0.38 0.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 3hqk n ARG 316 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hqk n THR 322 N 0.10 -2.52 -1.78 0.55 -1.04 -1.26 -4.44 114.28 103.90 3hqk n THR 322 Ca -0.07 1.08 -0.33 0.00 -2.04 0.00 0.00 64.05 62.70 3hqk n THR 322 Cb 0.74 -1.61 0.04 0.00 -1.82 0.00 0.00 70.33 67.67 3hqk n THR 322 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3hqk s PRO 323 N -4.75 2.91 -0.18 -2.82 0.02 -1.26 -4.98 135.00 123.94 3hqk s PRO 323 Ca 0.00 1.28 -0.29 0.00 0.02 0.00 0.00 61.00 62.00 3hqk s PRO 323 Cb 0.00 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3hqk s PRO 323 CO 0.00 -1.15 1.03 0.08 -0.33 0.00 0.00 177.00 176.63 3hqk s VAL 324 N -2.49 4.71 0.17 3.83 1.01 -1.26 -4.92 120.40 121.45 3hqk s VAL 324 Ca 0.65 2.03 -0.05 0.00 0.00 0.00 0.00 61.98 64.60 3hqk s VAL 324 Cb -0.18 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.82 3hqk s VAL 324 CO 0.43 -0.11 1.46 0.00 0.00 0.00 0.00 175.10 176.88 3hqk h ALA 325 N 7.32 0.61 0.00 5.51 0.00 -1.92 -2.99 119.26 127.80 3hqk h ALA 325 Ca -0.24 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3hqk h ALA 325 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hqk h ALA 325 CO 0.93 0.70 0.00 0.41 0.00 0.00 0.00 179.25 181.29 3hqk n GLY 326 N 0.34 -0.96 0.32 0.00 0.00 -1.26 -2.81 105.19 100.82 3hqk n GLY 326 Ca -0.04 -0.04 0.20 0.00 0.00 0.00 0.00 46.02 46.14 3hqk n GLY 326 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hqk h LEU 327 N 0.00 0.00 -0.80 0.99 3.38 -1.85 -1.89 115.31 115.14 3hqk h LEU 327 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hqk h LEU 327 Cb 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3hqk h LEU 327 CO 0.00 0.01 0.52 -0.07 0.09 0.00 0.00 178.44 178.98 3hqk h LEU 328 N 0.00 0.86 -1.27 1.67 3.38 -1.76 -1.57 115.31 116.63 3hqk h LEU 328 Ca -0.00 -0.01 0.45 0.00 0.09 0.00 0.00 57.88 58.41 3hqk h LEU 328 Cb 0.03 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 40.44 3hqk h LEU 328 CO 0.00 0.60 0.80 -0.38 0.09 0.00 0.00 178.44 179.55 3hqk n ILE 329 N -4.57 -0.27 -0.26 1.22 5.41 -0.71 0.56 119.36 120.74 3hqk n ILE 329 Ca 0.09 1.78 -0.05 0.00 1.00 0.00 0.00 62.75 65.57 3hqk n ILE 329 Cb 0.07 -2.92 0.06 0.00 -0.71 0.00 0.00 39.64 36.14 3hqk n ILE 329 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3hqk h VAL 330 N 0.00 1.19 -0.00 1.39 2.07 -1.48 -0.94 116.25 118.48 3hqk h VAL 330 Ca 0.85 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.99 3hqk h VAL 330 Cb 2.64 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 3hqk h VAL 330 CO -0.50 0.19 -0.09 1.23 0.02 0.00 0.00 177.57 178.42 3hqk h GLY 331 N 0.98 -0.10 0.51 2.17 0.00 1.49 0.48 103.07 108.59 3hqk h GLY 331 Ca 0.26 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.75 3hqk h GLY 331 CO -0.05 -0.10 -0.01 -2.08 0.00 0.00 0.00 176.54 174.29 3hqk h VAL 332 N -0.16 0.77 0.16 4.60 2.07 -1.00 -2.49 116.25 120.19 3hqk h VAL 332 Ca 0.04 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3hqk h VAL 332 Cb 0.20 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3hqk h VAL 332 CO -0.10 0.01 -0.07 -0.07 0.02 0.00 0.00 177.57 177.36 3hqk h LEU 333 N 0.07 -0.18 -1.11 2.57 3.38 -0.96 -0.90 115.31 118.19 3hqk h LEU 333 Ca 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hqk h LEU 333 Cb 0.20 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hqk h LEU 333 CO -0.25 0.06 0.22 0.24 0.09 0.00 0.00 178.44 178.80 3hqk h MET 334 N -0.42 0.00 0.00 1.13 2.86 0.07 -1.35 114.93 117.22 3hqk h MET 334 Ca -0.02 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.17 3hqk h MET 334 Cb 0.33 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 3hqk h MET 334 CO 0.04 0.00 -2.51 0.25 1.06 0.00 0.00 176.91 175.75 3hqk n THR 335 N -2.17 1.48 -0.32 2.22 -2.24 -0.95 -3.12 114.28 109.18 3hqk n THR 335 Ca -0.01 -0.39 0.23 0.00 -2.27 0.00 0.00 64.05 61.61 3hqk n THR 335 Cb 0.25 -1.84 0.45 0.00 -2.10 0.00 0.00 70.33 67.09 3hqk n THR 335 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3hqk h ILE 336 N -0.90 0.14 0.10 2.28 2.04 -0.66 0.63 117.51 121.13 3hqk h ILE 336 Ca -0.68 -0.04 -0.26 0.00 1.00 0.00 0.00 64.86 64.87 3hqk h ILE 336 Cb 1.62 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3hqk h ILE 336 CO -0.39 0.02 -1.16 -0.26 0.00 0.00 0.00 178.15 176.36 3hqk h PHE 337 N 0.13 0.57 -0.03 1.37 0.05 -1.48 -2.96 116.94 114.58 3hqk h PHE 337 Ca 0.72 -0.38 0.01 0.00 3.82 0.00 0.00 57.97 62.13 3hqk h PHE 337 Cb 1.69 -0.04 -0.00 0.00 2.00 0.00 0.00 35.95 39.60 3hqk h PHE 337 CO -0.15 1.26 0.08 0.37 -0.18 0.00 0.00 178.31 179.69 3hqk h GLN 338 N 0.13 0.00 0.11 1.51 5.75 0.16 -2.91 115.11 119.86 3hqk h GLN 338 Ca -0.13 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.02 3hqk h GLN 338 Cb 1.86 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.39 3hqk h GLN 338 CO 0.20 0.00 -1.92 1.19 -2.65 0.00 0.00 178.83 175.65 3hqk n PHE 339 N -3.35 1.19 1.07 3.99 3.72 0.50 -3.66 117.46 120.92 3hqk n PHE 339 Ca -0.02 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 3hqk n PHE 339 Cb 0.16 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.55 3hqk n PHE 339 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hqk n SER 340 N -3.61 0.41 -0.02 4.37 7.64 -1.13 -2.05 113.62 119.22 3hqk n SER 340 Ca -0.32 -1.48 -0.03 0.00 1.01 0.00 0.00 58.87 58.04 3hqk n SER 340 Cb 1.00 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.96 3hqk n SER 340 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hqk n SER 341 N -0.15 3.72 -0.11 6.43 3.41 -1.12 -4.70 113.62 121.11 3hqk n SER 341 Ca 0.00 -0.02 -0.20 0.00 -0.26 0.00 0.00 58.87 58.39 3hqk n SER 341 Cb 0.10 0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 3hqk n SER 341 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hqk n MET 342 N -2.47 0.52 0.49 4.33 2.81 -1.20 -4.85 117.12 116.75 3hqk n MET 342 Ca -0.09 0.17 -0.19 0.00 -1.81 0.00 0.00 57.70 55.78 3hqk n MET 342 Cb 0.61 -1.38 -0.09 0.00 -0.71 0.00 0.00 33.22 31.65 3hqk n MET 342 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3hqk h SER 343 N -0.42 -1.06 -2.07 7.83 0.02 -1.68 -3.44 113.55 112.73 3hqk h SER 343 Ca -0.54 0.04 -0.55 0.00 -0.84 0.00 0.00 61.79 59.90 3hqk h SER 343 Cb 1.64 0.27 -0.08 0.00 0.14 0.00 0.00 62.40 64.37 3hqk h SER 343 CO -0.22 -0.74 -0.59 -2.16 -1.14 0.00 0.00 176.83 171.99 3hqk s PRO 344 N -5.67 2.40 0.09 3.45 0.05 -1.26 -5.12 135.00 128.94 3hqk s PRO 344 Ca -0.18 -1.43 0.01 0.00 0.05 0.00 0.00 61.00 59.44 3hqk s PRO 344 Cb 0.02 -2.21 0.02 0.00 0.05 0.00 0.00 34.50 32.37 3hqk s PRO 344 CO 0.55 0.26 0.13 0.09 0.05 0.00 0.00 177.00 178.08 3hqk n ASN 345 N -1.03 0.28 0.00 6.66 4.13 -1.26 -4.37 115.26 119.66 3hqk n ASN 345 Ca -0.05 -1.21 0.00 0.00 1.68 0.00 0.00 54.58 55.00 3hqk n ASN 345 Cb 0.60 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 3hqk n ASN 345 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hqk n ALA 346 N -2.93 0.00 0.92 5.41 0.00 -1.26 -4.78 120.51 117.87 3hqk n ALA 346 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 3hqk n ALA 346 Cb 0.09 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.81 3hqk n ALA 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk n ALA 347 N 0.50 2.47 -0.17 0.00 0.00 -1.26 -3.43 120.51 118.63 3hqk n ALA 347 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 53.44 52.84 3hqk n ALA 347 Cb 0.00 -1.02 0.33 0.00 0.00 0.00 0.00 19.45 18.76 3hqk n ALA 347 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hqk h LYS 348 N 2.44 0.80 -0.83 0.00 1.79 -1.92 1.92 116.57 120.77 3hqk h LYS 348 Ca 0.00 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 3hqk h LYS 348 Cb 0.55 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 3hqk h LYS 348 CO 0.00 0.53 0.46 1.05 -1.08 0.00 0.00 179.45 180.41 3hqk h GLU 349 N 0.82 1.16 -1.00 3.15 -0.00 -1.97 0.04 114.58 116.78 3hqk h GLU 349 Ca 0.27 -0.13 0.00 0.00 -0.00 0.00 0.00 59.36 59.50 3hqk h GLU 349 Cb 0.07 -0.23 0.00 0.00 -0.00 0.00 0.00 28.75 28.59 3hqk h GLU 349 CO -0.08 0.85 0.00 1.97 -0.00 0.00 0.00 179.01 181.75 3hqk n PHE 350 N -4.39 0.00 0.00 2.06 -0.00 0.64 -2.78 117.46 112.99 3hqk n PHE 350 Ca 0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 3hqk n PHE 350 Cb 0.09 -0.11 0.00 0.00 -0.00 0.00 0.00 39.48 39.46 3hqk n PHE 350 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hqk n GLY 351 N 0.05 0.28 0.17 4.97 0.00 -0.06 -4.40 105.19 106.19 3hqk n GLY 351 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3hqk n GLY 351 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hqk h LEU 352 N 0.00 0.62 -0.74 0.99 5.85 -1.21 -3.18 115.31 117.63 3hqk h LEU 352 Ca 0.00 -0.66 0.13 0.00 0.84 0.00 0.00 57.88 58.19 3hqk h LEU 352 Cb 0.00 -0.19 -0.14 0.00 0.37 0.00 0.00 40.66 40.71 3hqk h LEU 352 CO 0.00 1.19 -0.31 0.58 -0.34 0.00 0.00 178.44 179.56 3hqk h VAL 353 N 0.11 0.14 -1.49 1.05 2.07 -1.79 0.13 116.25 116.46 3hqk h VAL 353 Ca -0.04 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.91 3hqk h VAL 353 Cb 1.19 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3hqk h VAL 353 CO 0.11 0.00 1.08 -1.28 0.02 0.00 0.00 177.57 177.50 3hqk h SER 354 N -0.08 0.00 0.59 0.57 0.87 -1.76 0.78 113.55 114.53 3hqk h SER 354 Ca 0.30 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.59 3hqk h SER 354 Cb 0.57 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.49 3hqk h SER 354 CO -0.79 0.00 -1.57 0.77 -0.53 0.00 0.00 176.83 174.71 3hqk h SER 355 N 0.00 0.00 -0.48 6.23 4.64 -0.86 -3.37 113.55 119.71 3hqk h SER 355 Ca 0.71 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.98 3hqk h SER 355 Cb 2.87 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.93 3hqk h SER 355 CO -0.01 0.99 0.14 0.58 -0.87 0.00 0.00 176.83 177.66 3hqk h VAL 356 N 0.00 1.22 -0.19 0.95 2.07 -0.17 -2.49 116.25 117.63 3hqk h VAL 356 Ca -0.23 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3hqk h VAL 356 Cb 1.96 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3hqk h VAL 356 CO 0.09 0.29 0.12 0.77 0.02 0.00 0.00 177.57 178.86 3hqk h SER 357 N 0.78 0.22 -0.81 0.57 4.64 -1.69 -2.10 113.55 115.16 3hqk h SER 357 Ca 0.18 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.51 3hqk h SER 357 Cb 0.27 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 3hqk h SER 357 CO -0.00 0.16 0.52 0.58 -0.87 0.00 0.00 176.83 177.22 3hqk h VAL 358 N 0.26 1.15 -0.39 0.95 2.07 -1.64 -2.44 116.25 116.21 3hqk h VAL 358 Ca 0.07 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.09 3hqk h VAL 358 Cb -0.02 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 3hqk h VAL 358 CO -0.01 0.19 -0.30 0.40 0.02 0.00 0.00 177.57 177.87 3hqk h ILE 359 N 1.04 1.28 -0.94 4.57 2.04 -1.49 -2.97 117.51 121.03 3hqk h ILE 359 Ca 0.31 -1.46 0.23 0.00 1.00 0.00 0.00 64.86 64.95 3hqk h ILE 359 Cb -0.03 1.35 -0.17 0.00 -0.74 0.00 0.00 36.82 37.22 3hqk h ILE 359 CO -0.10 0.49 -0.04 -0.26 0.00 0.00 0.00 178.15 178.24 3hqk h PHE 360 N 0.71 -0.16 -0.65 1.37 0.05 -1.23 0.28 116.94 117.31 3hqk h PHE 360 Ca 0.07 0.07 0.19 0.00 3.82 0.00 0.00 57.97 62.12 3hqk h PHE 360 Cb 0.88 0.22 -0.03 0.00 2.00 0.00 0.00 35.95 39.02 3hqk h PHE 360 CO 0.06 -0.39 0.60 1.15 -0.18 0.00 0.00 178.31 179.54 3hqk h THR 361 N 0.03 0.40 0.30 -1.55 2.02 -1.33 -2.46 112.91 110.32 3hqk h THR 361 Ca 0.53 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.70 3hqk h THR 361 Cb 1.01 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3hqk h THR 361 CO -0.89 0.00 -0.14 -0.07 0.37 0.00 0.00 175.52 174.78 3hqk h LEU 362 N 0.00 -0.34 -0.67 2.58 3.38 -0.56 -3.27 115.31 116.43 3hqk h LEU 362 Ca 0.31 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.17 3hqk h LEU 362 Cb 1.50 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 42.24 3hqk h LEU 362 CO -0.00 0.11 -0.32 0.52 0.09 0.00 0.00 178.44 178.84 3hqk n VAL 363 N -5.07 -0.39 -0.13 1.22 0.31 -0.92 0.07 118.33 113.41 3hqk n VAL 363 Ca -0.08 1.58 -0.12 0.00 -0.01 0.00 0.00 64.34 65.71 3hqk n VAL 363 Cb 0.26 -2.03 -0.09 0.00 -0.91 0.00 0.00 33.84 31.07 3hqk n VAL 363 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3hqk h PRO 364 N 0.00 -0.34 -0.89 5.55 0.11 -1.71 -0.33 132.00 134.39 3hqk h PRO 364 Ca 0.18 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.47 3hqk h PRO 364 Cb 0.35 0.08 -0.16 0.00 0.11 0.00 0.00 31.00 31.37 3hqk h PRO 364 CO -0.65 -0.22 -0.32 1.88 -0.21 0.00 0.00 178.00 178.48 3hqk h TYR 365 N -0.35 -0.83 0.00 0.65 0.05 -0.42 0.63 116.97 116.70 3hqk h TYR 365 Ca 0.07 0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.94 3hqk h TYR 365 Cb 0.53 0.50 0.00 0.00 1.01 0.00 0.00 36.73 38.76 3hqk h TYR 365 CO -0.72 -0.40 0.00 -0.11 -1.05 0.00 0.00 178.16 175.89 3hqk n LEU 366 N -5.51 0.00 -0.24 3.88 7.94 -0.06 -2.94 117.00 120.07 3hqk n LEU 366 Ca 0.11 0.85 0.04 0.00 -1.11 0.00 0.00 56.01 55.89 3hqk n LEU 366 Cb 0.42 -0.35 0.14 0.00 0.53 0.00 0.00 43.42 44.15 3hqk n LEU 366 CO -0.09 -0.35 0.82 1.88 -1.11 0.00 0.00 177.39 178.54 3hqk h TYR 367 N 0.00 -0.08 0.00 1.96 0.05 -0.33 0.47 116.97 119.04 3hqk h TYR 367 Ca 0.00 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3hqk h TYR 367 Cb 0.00 0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3hqk h TYR 367 CO -0.25 -0.23 0.00 0.25 -1.05 0.00 0.00 178.16 176.88 3hqk n THR 368 N -5.34 0.00 -0.13 -2.88 -2.24 0.14 -0.22 114.28 103.62 3hqk n THR 368 Ca 0.12 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.65 3hqk n THR 368 Cb 0.44 -0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 67.93 3hqk n THR 368 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqk h ALA 370 N -0.93 1.03 -0.66 0.00 0.00 -1.27 -1.36 119.26 116.08 3hqk h ALA 370 Ca -0.55 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 3hqk h ALA 370 Cb 1.47 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3hqk h ALA 370 CO -0.34 0.65 0.28 0.00 0.00 0.00 0.00 179.25 179.84 3hqk h ALA 371 N 1.17 0.86 -0.61 0.00 0.00 -0.81 -0.46 119.26 119.41 3hqk h ALA 371 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hqk h ALA 371 Cb 0.31 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hqk h ALA 371 CO -0.01 0.46 0.37 1.25 0.00 0.00 0.00 179.25 181.33 3hqk h LEU 372 N 0.93 0.73 -0.29 0.00 5.85 -1.46 0.70 115.31 121.76 3hqk h LEU 372 Ca 0.22 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3hqk h LEU 372 Cb 0.18 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3hqk h LEU 372 CO -0.02 0.57 0.11 -0.07 -0.34 0.00 0.00 178.44 178.69 3hqk h LEU 373 N 0.83 0.41 -0.44 2.25 3.38 -0.72 -2.34 115.31 118.67 3hqk h LEU 373 Ca 0.22 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 3hqk h LEU 373 Cb -0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3hqk h LEU 373 CO -0.04 0.48 -0.38 -0.07 0.09 0.00 0.00 178.44 178.52 3hqk h LEU 374 N 0.32 0.95 0.10 1.67 3.38 -0.68 -3.12 115.31 117.93 3hqk h LEU 374 Ca 0.10 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.49 3hqk h LEU 374 Cb 0.20 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hqk h LEU 374 CO -0.01 1.21 -0.65 -0.07 0.09 0.00 0.00 178.44 179.02 3hqk h LEU 375 N 0.73 0.34 -3.49 1.67 -0.00 0.33 -3.39 115.31 111.50 3hqk h LEU 375 Ca 0.06 -0.96 -0.21 0.00 -0.00 0.00 0.00 57.88 56.78 3hqk h LEU 375 Cb 0.96 -0.11 -0.12 0.00 -0.00 0.00 0.00 40.66 41.39 3hqk h LEU 375 CO 0.09 1.31 0.11 0.61 -0.00 0.00 0.00 178.44 180.56 3hqk n GLY 376 N 1.65 4.49 0.23 0.83 0.00 -0.88 -4.58 105.19 106.93 3hqk n GLY 376 Ca -0.14 -1.14 0.08 0.00 0.00 0.00 0.00 46.02 44.83 3hqk n GLY 376 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3hqk h HIS 377 N 1.39 0.00 -0.57 1.61 2.07 -1.69 -1.68 115.15 116.27 3hqk h HIS 377 Ca 0.25 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.76 3hqk h HIS 377 Cb 1.91 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.87 3hqk h HIS 377 CO 1.05 0.22 0.32 0.78 -3.07 0.00 0.00 177.93 177.23 3hqk h GLY 378 N 1.06 0.84 -2.01 6.13 0.00 -1.89 -3.35 103.07 103.85 3hqk h GLY 378 Ca -0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3hqk h GLY 378 CO 0.03 0.36 0.07 1.42 0.00 0.00 0.00 176.54 178.42 3hqk n HIS 379 N -4.61 0.57 -0.02 5.60 8.25 -0.63 -4.43 115.22 119.95 3hqk n HIS 379 Ca 0.03 -0.48 -0.15 0.00 -0.26 0.00 0.00 57.72 56.86 3hqk n HIS 379 Cb 0.08 -0.30 -0.11 0.00 1.12 0.00 0.00 29.99 30.77 3hqk n HIS 379 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3hqk h PHE 380 N 0.55 0.28 0.00 4.41 0.05 -1.71 -3.49 116.94 117.03 3hqk h PHE 380 Ca 0.07 -0.15 0.00 0.00 3.82 0.00 0.00 57.97 61.71 3hqk h PHE 380 Cb 1.13 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 39.04 3hqk h PHE 380 CO 0.30 0.96 0.00 0.41 -0.18 0.00 0.00 178.31 179.80 3hqk n GLY 381 N 1.08 0.74 2.66 -1.45 0.00 -1.26 -4.05 105.19 102.91 3hqk n GLY 381 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 3hqk n GLY 381 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hqk n LYS 382 N -2.46 1.12 -0.65 1.61 4.81 -1.26 -5.06 118.16 116.27 3hqk n LYS 382 Ca 0.00 -2.16 -0.07 0.00 -0.87 0.00 0.00 58.31 55.21 3hqk n LYS 382 Cb 0.00 -0.62 -0.10 0.00 0.02 0.00 0.00 35.03 34.33 3hqk n LYS 382 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hqk n ALA 383 N -0.18 4.56 -0.04 3.14 0.00 -1.26 -4.67 120.51 122.06 3hqk n ALA 383 Ca 0.03 -1.07 -0.08 0.00 0.00 0.00 0.00 53.44 52.32 3hqk n ALA 383 Cb 0.79 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 3hqk n ALA 383 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3hqk h ARG 384 N 3.50 -0.03 0.00 0.00 2.43 -1.97 -2.43 114.38 115.88 3hqk h ARG 384 Ca 0.11 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3hqk h ARG 384 Cb 1.02 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3hqk h ARG 384 CO 0.25 -0.02 -0.09 -1.35 -1.51 0.00 0.00 179.97 177.26 3hqk h PRO 385 N -0.03 0.00 0.19 0.20 0.11 -1.97 0.59 132.00 131.10 3hqk h PRO 385 Ca 0.10 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3hqk h PRO 385 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3hqk h PRO 385 CO -0.22 0.09 -0.09 1.25 -0.21 0.00 0.00 178.00 178.82 3hqk h LEU 386 N 0.00 -0.22 0.56 2.35 5.85 -1.83 0.93 115.31 122.95 3hqk h LEU 386 Ca -0.00 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3hqk h LEU 386 Cb 0.38 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3hqk h LEU 386 CO 0.01 0.09 -0.48 1.88 -0.34 0.00 0.00 178.44 179.61 3hqk h TYR 387 N -0.54 -1.31 -0.48 1.25 0.05 -1.03 0.83 116.97 115.74 3hqk h TYR 387 Ca -0.03 0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.90 3hqk h TYR 387 Cb 0.41 0.50 -0.02 0.00 1.01 0.00 0.00 36.73 38.62 3hqk h TYR 387 CO 0.02 -0.66 0.55 1.25 -1.05 0.00 0.00 178.16 178.27 3hqk h LEU 388 N -1.01 0.00 0.08 3.88 5.85 0.16 0.28 115.31 124.55 3hqk h LEU 388 Ca -0.07 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.29 3hqk h LEU 388 Cb 0.86 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3hqk h LEU 388 CO -0.01 0.00 -2.05 -0.11 -0.34 0.00 0.00 178.44 175.93 3hqk n LEU 389 N -3.61 2.38 -0.22 2.25 7.94 0.32 -3.84 117.00 122.22 3hqk n LEU 389 Ca 0.09 0.17 -0.07 0.00 -1.11 0.00 0.00 56.01 55.09 3hqk n LEU 389 Cb 0.74 -0.87 0.03 0.00 0.53 0.00 0.00 43.42 43.86 3hqk n LEU 389 CO 0.26 0.80 1.00 0.40 -1.11 0.00 0.00 177.39 178.74 3hqk h ILE 390 N 0.05 1.23 -0.51 1.96 2.04 0.42 -2.18 117.51 120.51 3hqk h ILE 390 Ca -0.44 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 3hqk h ILE 390 Cb 2.02 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 3hqk h ILE 390 CO 0.06 0.28 0.11 0.71 0.00 0.00 0.00 178.15 179.31 3hqk h THR 391 N 0.86 1.22 -0.77 -0.27 1.35 -1.26 -2.53 112.91 111.51 3hqk h THR 391 Ca 0.21 -0.81 -0.01 0.00 -0.55 0.00 0.00 66.41 65.25 3hqk h THR 391 Cb 0.19 0.71 -0.04 0.00 -1.73 0.00 0.00 68.15 67.29 3hqk h THR 391 CO -0.02 0.30 0.44 0.15 -0.25 0.00 0.00 175.52 176.14 3hqk h PHE 392 N 0.76 1.03 -0.91 4.73 3.04 -1.52 0.69 116.94 124.76 3hqk h PHE 392 Ca 0.17 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.10 3hqk h PHE 392 Cb 0.30 -0.34 -0.04 0.00 2.56 0.00 0.00 35.95 38.43 3hqk h PHE 392 CO 0.02 0.71 0.57 0.28 -2.02 0.00 0.00 178.31 177.87 3hqk h VAL 393 N 1.07 1.24 -0.78 1.41 2.07 -0.99 -0.86 116.25 119.42 3hqk h VAL 393 Ca 0.27 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3hqk h VAL 393 Cb 0.00 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.67 3hqk h VAL 393 CO -0.05 0.25 0.30 0.00 0.02 0.00 0.00 177.57 178.09 3hqk h ALA 394 N 1.38 1.06 -0.45 1.67 0.00 -0.78 0.10 119.26 122.23 3hqk h ALA 394 Ca 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hqk h ALA 394 Cb -0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 3hqk h ALA 394 CO -0.07 0.66 0.22 0.74 0.00 0.00 0.00 179.25 180.80 3hqk h PHE 395 N 1.14 0.65 -0.58 0.00 0.04 0.18 0.18 116.94 118.55 3hqk h PHE 395 Ca 0.26 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.92 3hqk h PHE 395 Cb 0.23 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3hqk h PHE 395 CO 0.02 0.53 0.07 0.28 -0.60 0.00 0.00 178.31 178.61 3hqk h VAL 396 N 0.59 1.26 -0.62 -0.55 2.07 -1.03 -2.49 116.25 115.47 3hqk h VAL 396 Ca 0.16 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 3hqk h VAL 396 Cb 0.12 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3hqk h VAL 396 CO -0.02 0.37 0.25 0.22 0.02 0.00 0.00 177.57 178.41 3hqk h TYR 397 N 0.88 0.95 -0.47 1.57 3.20 -0.37 -2.48 116.97 120.25 3hqk h TYR 397 Ca 0.17 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 3hqk h TYR 397 Cb 0.46 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3hqk h TYR 397 CO 0.03 0.75 0.17 0.00 -1.64 0.00 0.00 178.16 177.47 3hqk h ILE 399 N 0.62 1.22 -0.82 0.00 2.04 -1.27 -2.67 117.51 116.63 3hqk h ILE 399 Ca 0.15 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3hqk h ILE 399 Cb 0.23 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 3hqk h ILE 399 CO -0.01 0.28 0.49 -0.50 0.00 0.00 0.00 178.15 178.41 3hqk h TRP 400 N 0.93 1.09 -0.74 1.37 6.55 -1.40 0.20 115.95 123.95 3hqk h TRP 400 Ca 0.22 -0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.06 3hqk h TRP 400 Cb 0.17 -0.36 -0.04 0.00 -0.86 0.00 0.00 29.16 28.08 3hqk h TRP 400 CO 0.01 0.72 0.46 0.00 -1.05 0.00 0.00 178.44 178.59 3hqk h ALA 401 N 1.41 0.94 -0.63 1.49 0.00 -1.49 3.90 119.26 124.87 3hqk h ALA 401 Ca 0.30 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hqk h ALA 401 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3hqk h ALA 401 CO -0.05 0.40 0.14 0.28 0.00 0.00 0.00 179.25 180.01 3hqk h VAL 402 N 1.01 1.26 -0.33 0.00 2.07 -1.17 3.64 116.25 122.73 3hqk h VAL 402 Ca 0.27 -0.96 -0.15 0.00 0.82 0.00 0.00 66.70 66.68 3hqk h VAL 402 Cb -0.06 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3hqk h VAL 402 CO -0.05 0.36 -0.38 0.40 0.02 0.00 0.00 177.57 177.92 3hqk h ILE 403 N 0.94 1.28 0.07 4.57 1.08 0.47 -2.69 117.51 123.23 3hqk h ILE 403 Ca 0.20 -1.56 -0.27 0.00 -0.39 0.00 0.00 64.86 62.84 3hqk h ILE 403 Cb 0.38 1.52 0.02 0.00 -3.07 0.00 0.00 36.82 35.67 3hqk h ILE 403 CO 0.01 0.51 -1.13 1.23 -0.69 0.00 0.00 178.15 178.08 3hqk h GLY 404 N 0.61 0.59 2.00 5.37 0.00 0.78 -3.33 103.07 109.08 3hqk h GLY 404 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 47.33 46.21 3hqk h GLY 404 CO 0.09 1.03 0.00 1.44 0.00 0.00 0.00 176.54 179.10 3hqk n SER 405 N -3.75 0.64 -4.66 0.19 7.64 1.20 -4.92 113.62 109.97 3hqk n SER 405 Ca -0.10 0.64 -0.29 0.00 1.01 0.00 0.00 58.87 60.13 3hqk n SER 405 Cb 0.93 -0.78 0.18 0.00 -1.01 0.00 0.00 64.21 63.53 3hqk n SER 405 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hqk s GLY 406 N -3.51 1.58 0.00 0.23 0.00 -1.02 -4.67 107.32 99.92 3hqk s GLY 406 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3hqk s GLY 406 CO 0.41 0.34 0.00 0.00 0.00 0.00 0.00 173.10 173.85 3hqk n ALA 407 N -4.21 0.93 -0.19 3.20 0.00 -1.26 -4.91 120.51 114.07 3hqk n ALA 407 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 3hqk n ALA 407 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 3hqk n ALA 407 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hqk h LYS 408 N 0.00 0.81 -0.76 0.00 1.57 -2.01 -2.11 116.57 114.07 3hqk h LYS 408 Ca 0.00 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3hqk h LYS 408 Cb 0.00 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3hqk h LYS 408 CO 0.00 0.68 0.39 1.05 -0.57 0.00 0.00 179.45 181.01 3hqk h GLU 409 N 0.75 1.08 -0.83 3.15 4.11 -1.91 -2.90 114.58 118.02 3hqk h GLU 409 Ca 0.19 -0.14 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 3hqk h GLU 409 Cb 0.16 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3hqk h GLU 409 CO -0.02 0.82 0.37 0.28 0.07 0.00 0.00 179.01 180.53 3hqk h VAL 410 N 1.06 1.26 -0.71 -1.06 2.07 -1.75 -0.90 116.25 116.22 3hqk h VAL 410 Ca 0.26 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3hqk h VAL 410 Cb 0.07 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3hqk h VAL 410 CO -0.04 0.33 0.33 -0.03 0.02 0.00 0.00 177.57 178.18 3hqk h MET 411 N 1.20 1.04 -0.59 1.57 1.85 -1.26 -0.95 114.93 117.79 3hqk h MET 411 Ca 0.28 -0.16 -0.07 0.00 -0.61 0.00 0.00 59.70 59.14 3hqk h MET 411 Cb 0.16 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 31.99 3hqk h MET 411 CO -0.03 0.83 0.09 -1.49 -0.40 0.00 0.00 176.91 175.91 3hqk h TRP 412 N 1.00 0.99 -0.71 1.39 4.06 -1.26 -0.53 115.95 120.89 3hqk h TRP 412 Ca 0.24 -0.12 -0.03 0.00 2.06 0.00 0.00 58.89 61.04 3hqk h TRP 412 Cb 0.14 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 27.99 3hqk h TRP 412 CO 0.01 0.85 0.34 0.77 -3.56 0.00 0.00 178.44 176.85 3hqk h SER 413 N 0.89 0.94 -0.78 -3.49 0.02 -0.61 -0.29 113.55 110.23 3hqk h SER 413 Ca 0.18 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3hqk h SER 413 Cb 0.40 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3hqk h SER 413 CO 0.01 0.81 0.31 0.15 -1.14 0.00 0.00 176.83 176.97 3hqk h PHE 414 N 1.00 1.18 -0.66 3.45 -0.00 -0.66 -0.93 116.94 120.31 3hqk h PHE 414 Ca 0.24 -0.09 -0.06 0.00 -0.00 0.00 0.00 57.97 58.07 3hqk h PHE 414 Cb 0.13 -0.35 -0.03 0.00 -0.00 0.00 0.00 35.95 35.69 3hqk h PHE 414 CO 0.01 0.90 0.19 0.28 -0.00 0.00 0.00 178.31 179.68 3hqk h VAL 415 N 1.13 1.25 -0.68 1.41 2.07 -0.60 -0.95 116.25 119.88 3hqk h VAL 415 Ca 0.26 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 3hqk h VAL 415 Cb 0.21 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3hqk h VAL 415 CO -0.02 0.34 0.24 0.74 0.02 0.00 0.00 177.57 178.89 3hqk h THR 416 N 0.98 1.25 -0.85 2.57 2.02 -0.55 -1.35 112.91 116.98 3hqk h THR 416 Ca 0.21 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 3hqk h THR 416 Cb 0.31 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3hqk h THR 416 CO -0.00 0.32 0.43 -0.07 0.37 0.00 0.00 175.52 176.56 3hqk h LEU 417 N 0.98 1.10 -0.95 2.58 4.07 -0.62 0.17 115.31 122.63 3hqk h LEU 417 Ca 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 3hqk h LEU 417 Cb 0.26 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 3hqk h LEU 417 CO -0.01 0.91 0.52 0.24 -1.08 0.00 0.00 178.44 179.02 3hqk h MET 418 N 1.21 1.25 0.45 1.13 2.86 -0.63 -2.35 114.93 118.85 3hqk h MET 418 Ca 0.30 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3hqk h MET 418 Cb 0.09 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.50 3hqk h MET 418 CO -0.04 0.90 -0.22 0.28 1.06 0.00 0.00 176.91 178.89 3hqk h VAL 419 N 1.26 0.16 -0.90 -2.22 2.07 -0.35 -2.56 116.25 113.71 3hqk h VAL 419 Ca 0.32 -0.58 0.20 0.00 0.82 0.00 0.00 66.70 67.47 3hqk h VAL 419 Cb -0.01 0.25 -0.17 0.00 -1.52 0.00 0.00 31.29 29.84 3hqk h VAL 419 CO -0.06 0.03 -0.15 -0.38 0.02 0.00 0.00 177.57 177.03 3hqk n ILE 420 N -5.19 -0.38 0.18 4.57 2.08 0.50 0.94 119.36 122.06 3hqk n ILE 420 Ca -0.08 2.05 -0.14 0.00 0.56 0.00 0.00 62.75 65.13 3hqk n ILE 420 Cb 0.27 -2.88 -0.08 0.00 -0.75 0.00 0.00 39.64 36.20 3hqk n ILE 420 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 3hqk h THR 421 N 0.00 0.69 -0.44 1.39 1.35 -1.40 -0.06 112.91 114.44 3hqk h THR 421 Ca 0.47 -0.41 0.12 0.00 -0.55 0.00 0.00 66.41 66.04 3hqk h THR 421 Cb 0.80 0.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 3hqk h THR 421 CO -0.91 0.08 0.31 0.00 -0.25 0.00 0.00 175.52 174.76 3hqk h ALA 422 N -0.10 2.36 0.37 6.62 0.00 -0.65 0.13 119.26 127.99 3hqk h ALA 422 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hqk h ALA 422 Cb 0.47 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hqk h ALA 422 CO 0.07 -0.48 -0.23 1.25 0.00 0.00 0.00 179.25 179.86 3hqk h LEU 423 N 0.04 -0.58 -0.59 0.00 5.85 0.12 -2.69 115.31 117.45 3hqk h LEU 423 Ca 0.21 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.08 3hqk h LEU 423 Cb 0.78 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.87 3hqk h LEU 423 CO -0.01 -0.35 -0.12 0.22 -0.34 0.00 0.00 178.44 177.84 3hqk h TYR 424 N -0.56 -0.26 0.00 1.25 5.03 -0.18 -1.72 116.97 120.53 3hqk h TYR 424 Ca -0.05 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3hqk h TYR 424 Cb 0.45 0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.93 3hqk h TYR 424 CO 0.00 -0.24 0.00 0.00 -1.32 0.00 0.00 178.16 176.61 3hqk n ALA 425 N -2.95 1.77 -0.02 1.82 0.00 0.38 -1.32 120.51 120.20 3hqk n ALA 425 Ca 0.07 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.54 3hqk n ALA 425 Cb 0.32 -1.25 -0.17 0.00 0.00 0.00 0.00 19.45 18.35 3hqk n ALA 425 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hqk n LEU 426 N -1.42 0.00 -0.10 0.00 4.77 -0.70 -4.31 117.00 115.24 3hqk n LEU 426 Ca 0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 3hqk n LEU 426 Cb 0.16 0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.18 3hqk n LEU 426 CO 0.14 0.05 -1.13 0.59 -1.33 0.00 0.00 177.39 175.70 3hqk n ASN 427 N -2.30 1.44 -1.40 -1.43 4.13 -0.49 -4.41 115.26 110.81 3hqk n ASN 427 Ca -0.07 -0.05 0.06 0.00 1.68 0.00 0.00 54.58 56.20 3hqk n ASN 427 Cb 0.62 0.36 0.32 0.00 -1.54 0.00 0.00 39.78 39.54 3hqk n ASN 427 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3hqk n TYR 428 N -2.86 1.54 -0.36 3.10 0.53 -0.43 -4.75 117.16 113.93 3hqk n TYR 428 Ca -0.33 -0.90 0.34 0.00 -1.02 0.00 0.00 57.90 55.99 3hqk n TYR 428 Cb 1.00 -0.44 0.61 0.00 -1.03 0.00 0.00 39.34 39.47 3hqk n TYR 428 CO 0.00 0.00 0.00 -0.97 -1.02 0.00 0.00 176.86 174.87 3hqk h ASN 429 N 2.65 0.30 0.00 7.72 -0.00 -1.75 -1.38 115.58 123.12 3hqk h ASN 429 Ca 0.04 0.23 0.00 0.00 -0.00 0.00 0.00 56.30 56.57 3hqk h ASN 429 Cb 1.76 0.23 0.00 0.00 -0.00 0.00 0.00 38.32 40.31 3hqk h ASN 429 CO 0.39 -0.37 -0.82 0.54 -0.00 0.00 0.00 177.43 177.17 3hqk n ARG 430 N -5.10 1.18 -0.15 6.67 1.74 -1.26 -4.59 116.66 115.15 3hqk n ARG 430 Ca 0.38 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.40 3hqk n ARG 430 Cb 1.34 -0.91 0.10 0.00 -1.02 0.00 0.00 32.46 31.97 3hqk n ARG 430 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3hqk h ILE 431 N 0.00 1.26 -3.95 0.55 2.04 -1.81 -3.44 117.51 112.16 3hqk h ILE 431 Ca 0.00 -1.10 -0.54 0.00 1.00 0.00 0.00 64.86 64.22 3hqk h ILE 431 Cb 0.00 0.86 0.10 0.00 -0.74 0.00 0.00 36.82 37.05 3hqk h ILE 431 CO 0.00 0.39 0.70 -2.28 0.00 0.00 0.00 178.15 176.96 3hqk s HIS 432 N -4.97 2.65 -0.18 1.37 2.46 -0.55 -5.03 115.29 111.04 3hqk s HIS 432 Ca -0.10 1.29 -0.06 0.00 0.47 0.00 0.00 55.06 56.65 3hqk s HIS 432 Cb 0.14 -3.86 -0.04 0.00 -0.13 0.00 0.00 32.58 28.69 3hqk s HIS 432 CO 0.83 -2.63 0.03 0.15 -2.47 0.00 0.00 174.74 170.65 3hqk s LYS 433 N -2.23 3.87 -0.19 2.88 1.02 -1.26 -5.01 119.74 118.83 3hqk s LYS 433 Ca 0.56 -0.40 -0.06 0.00 0.02 0.00 0.00 55.97 56.09 3hqk s LYS 433 Cb -0.43 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3hqk s LYS 433 CO 0.56 0.25 0.02 -0.80 -0.92 0.00 0.00 175.35 174.46 3hqk s ASN 434 N 0.40 5.11 -0.14 2.83 0.01 -1.26 -5.07 114.94 116.83 3hqk s ASN 434 Ca 0.01 -0.10 0.02 0.00 -0.71 0.00 0.00 52.86 52.08 3hqk s ASN 434 Cb -0.13 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 39.67 3hqk s ASN 434 CO 0.01 0.11 -0.19 -2.16 -1.51 0.00 0.00 177.10 173.36 3hqk s PRO 435 N 0.75 2.73 -0.18 -0.60 0.04 -1.26 -0.28 135.00 136.21 3hqk s PRO 435 Ca 0.01 -0.74 -0.17 0.00 0.04 0.00 0.00 61.00 60.14 3hqk s PRO 435 Cb -0.14 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 3hqk s PRO 435 CO 0.02 -0.08 0.46 0.71 0.04 0.00 0.00 177.00 178.15 3hqk s TYR 436 N 1.01 3.42 1.15 0.56 1.51 -1.26 -5.15 117.35 118.59 3hqk s TYR 436 Ca -0.04 0.75 -0.17 0.00 -1.01 0.00 0.00 57.07 56.60 3hqk s TYR 436 Cb -0.15 -2.58 0.17 0.00 -0.11 0.00 0.00 41.96 39.29 3hqk s TYR 436 CO -0.05 0.02 0.27 -2.30 -1.11 0.00 0.00 175.55 172.38 3hqk n PRO 437 N 4.32 -2.04 0.00 -1.71 -0.02 0.62 -5.03 135.00 131.13 3hqk n PRO 437 Ca -0.07 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.83 3hqk n PRO 437 Cb 0.51 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3hqk n PRO 437 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hqk n LEU 438 N -2.58 0.00 -0.09 2.45 4.77 -1.26 -5.06 117.00 115.23 3hqk n LEU 438 Ca 0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.78 3hqk n LEU 438 Cb 0.59 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.56 3hqk n LEU 438 CO 0.51 -0.45 -1.07 0.47 -1.33 0.00 0.00 177.39 175.52 3hqk n ASP 439 N -2.55 2.00 0.00 -1.43 9.92 -1.26 -5.06 116.55 118.17 3hqk n ASP 439 Ca 0.00 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 3hqk n ASP 439 Cb 0.00 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 3hqk n ASP 439 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hqk n ALA 440 N -3.39 0.00 0.00 2.24 0.00 -1.26 -5.36 120.51 112.75 3hqk n ALA 440 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3hqk n ALA 440 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.39 3hqk n ALA 440 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20