#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkc n GLU 3 N 0.00 0.41 -3.05 5.56 4.71 -1.22 -4.62 120.64 122.43 3hkc n GLU 3 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.19 3hkc n GLU 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3hkc n GLU 3 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hkc s ILE 5 N 2.67 5.00 0.02 0.00 1.01 -1.11 -4.70 121.20 124.09 3hkc s ILE 5 Ca 0.24 1.47 -0.23 0.00 0.00 0.00 0.00 60.65 62.13 3hkc s ILE 5 Cb -0.01 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 3hkc s ILE 5 CO -0.21 0.17 0.68 -0.44 0.00 0.00 0.00 174.94 175.14 3hkc s SER 6 N 0.95 7.09 -0.10 3.58 0.01 -0.37 -1.26 113.70 123.60 3hkc s SER 6 Ca 0.37 1.30 0.03 0.00 1.31 0.00 0.00 55.95 58.96 3hkc s SER 6 Cb -0.17 -2.41 0.01 0.00 0.21 0.00 0.00 66.02 63.65 3hkc s SER 6 CO 0.16 0.07 -0.20 -0.63 0.41 0.00 0.00 173.24 173.04 3hkc s ILE 7 N -0.16 1.78 -0.26 1.44 1.01 -0.15 -0.41 121.20 124.44 3hkc s ILE 7 Ca 0.34 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3hkc s ILE 7 Cb -0.19 -1.57 0.07 0.00 0.01 0.00 0.00 42.46 40.78 3hkc s ILE 7 CO 0.20 0.50 -0.05 -1.00 0.00 0.00 0.00 174.94 174.59 3hkc s HIS 8 N 0.54 2.92 -0.09 3.97 3.76 0.06 -0.22 115.29 126.23 3hkc s HIS 8 Ca -0.15 -2.18 -0.00 0.00 -0.15 0.00 0.00 55.06 52.58 3hkc s HIS 8 Cb -0.17 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 3hkc s HIS 8 CO 0.05 -0.85 -0.08 0.54 -0.85 0.00 0.00 174.74 173.56 3hkc s VAL 9 N 1.21 3.61 0.00 -0.90 0.11 -0.64 -1.06 120.40 122.73 3hkc s VAL 9 Ca -0.04 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 3hkc s VAL 9 Cb -0.19 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.16 3hkc s VAL 9 CO -0.07 0.57 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 3hkc n GLY 10 N 2.67 0.00 0.22 6.54 0.00 -0.74 -3.67 105.19 110.21 3hkc n GLY 10 Ca -0.18 -1.35 0.19 0.00 0.00 0.00 0.00 46.02 44.68 3hkc n GLY 10 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hkc n GLN 11 N 1.10 -0.04 0.04 1.61 7.27 -1.26 0.40 117.38 126.49 3hkc n GLN 11 Ca 0.00 0.95 -0.02 0.00 0.07 0.00 0.00 57.00 58.00 3hkc n GLN 11 Cb 0.00 -1.65 -0.01 0.00 2.41 0.00 0.00 30.24 30.99 3hkc n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hkc h ALA 12 N 1.34 -0.37 -0.32 1.69 0.00 -1.97 -2.34 119.26 117.29 3hkc h ALA 12 Ca 0.53 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.46 3hkc h ALA 12 Cb 1.34 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 3hkc h ALA 12 CO -0.55 -0.37 -0.13 0.41 0.00 0.00 0.00 179.25 178.61 3hkc n GLY 13 N 0.88 -0.68 0.19 0.00 0.00 0.11 -0.40 105.19 105.28 3hkc n GLY 13 Ca -0.02 0.36 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 3hkc n GLY 13 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hkc h VAL 14 N 0.00 0.75 -0.66 1.61 2.07 -0.08 -2.23 116.25 117.71 3hkc h VAL 14 Ca 0.10 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3hkc h VAL 14 Cb 0.18 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3hkc h VAL 14 CO -0.31 0.09 0.25 1.56 0.02 0.00 0.00 177.57 179.18 3hkc h GLN 15 N -0.61 0.98 -0.36 1.57 4.20 -0.15 0.18 115.11 120.92 3hkc h GLN 15 Ca -0.04 -0.17 0.06 0.00 0.06 0.00 0.00 58.65 58.56 3hkc h GLN 15 Cb 0.44 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3hkc h GLN 15 CO 0.06 0.80 0.06 0.82 -0.67 0.00 0.00 178.83 179.91 3hkc h ILE 16 N 0.96 0.81 0.42 2.54 5.03 -1.17 -2.30 117.51 123.79 3hkc h ILE 16 Ca 0.22 -0.06 -0.02 0.00 -0.12 0.00 0.00 64.86 64.88 3hkc h ILE 16 Cb 0.20 0.61 -0.00 0.00 -3.03 0.00 0.00 36.82 34.60 3hkc h ILE 16 CO -0.02 0.03 -0.25 1.23 -0.68 0.00 0.00 178.15 178.46 3hkc h GLY 17 N 0.18 -0.82 -1.38 5.37 0.00 -0.47 -0.42 103.07 105.52 3hkc h GLY 17 Ca 0.17 0.33 0.43 0.00 0.00 0.00 0.00 47.33 48.27 3hkc h GLY 17 CO -0.23 -0.28 0.96 -2.01 0.00 0.00 0.00 176.54 174.97 3hkc n ASN 18 N -3.88 0.08 -0.44 0.19 5.15 0.48 0.10 115.26 116.94 3hkc n ASN 18 Ca -0.08 0.95 0.07 0.00 -0.60 0.00 0.00 54.58 54.92 3hkc n ASN 18 Cb 0.26 -0.47 0.03 0.00 -0.53 0.00 0.00 39.78 39.07 3hkc n ASN 18 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hkc n ALA 19 N -2.65 2.75 -0.04 5.20 0.00 -0.88 -3.04 120.51 121.84 3hkc n ALA 19 Ca 0.35 -0.55 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 3hkc n ALA 19 Cb 1.47 -0.48 -0.11 0.00 0.00 0.00 0.00 19.45 20.33 3hkc n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkc h TRP 21 N 0.00 -0.39 -0.99 0.00 4.06 0.32 0.22 115.95 119.16 3hkc h TRP 21 Ca -0.23 0.01 0.28 0.00 2.06 0.00 0.00 58.89 61.01 3hkc h TRP 21 Cb 1.40 0.18 -0.19 0.00 -1.00 0.00 0.00 29.16 29.56 3hkc h TRP 21 CO 0.00 -0.22 0.04 -1.91 -3.56 0.00 0.00 178.44 172.78 3hkc n GLU 22 N -5.29 -0.08 0.09 0.49 2.13 -1.17 -0.22 120.64 116.59 3hkc n GLU 22 Ca -0.05 1.48 -0.05 0.00 0.66 0.00 0.00 57.16 59.20 3hkc n GLU 22 Cb 0.20 -2.37 -0.02 0.00 0.27 0.00 0.00 31.44 29.52 3hkc n GLU 22 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3hkc h LEU 23 N 0.00 0.01 0.63 4.31 6.46 -1.33 -2.59 115.31 122.80 3hkc h LEU 23 Ca 0.61 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.34 3hkc h LEU 23 Cb 1.28 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.21 3hkc h LEU 23 CO -0.93 0.88 -0.30 1.88 -0.62 0.00 0.00 178.44 179.35 3hkc h TYR 24 N 0.00 -0.78 -0.76 1.25 0.99 0.26 -2.18 116.97 115.75 3hkc h TYR 24 Ca -0.01 -0.02 0.14 0.00 2.00 0.00 0.00 58.73 60.84 3hkc h TYR 24 Cb 1.55 0.26 -0.14 0.00 1.00 0.00 0.00 36.73 39.40 3hkc h TYR 24 CO 0.00 -0.48 -0.30 0.00 -0.00 0.00 0.00 178.16 177.39 3hkc h LEU 26 N -0.07 0.52 -1.12 0.00 4.07 -1.39 0.27 115.31 117.60 3hkc h LEU 26 Ca 0.32 -0.13 -0.09 0.00 0.08 0.00 0.00 57.88 58.06 3hkc h LEU 26 Cb 0.58 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 3hkc h LEU 26 CO -0.80 0.65 -0.41 -0.08 -1.08 0.00 0.00 178.44 176.71 3hkc h GLU 27 N 0.50 0.05 -0.54 1.13 4.81 -0.39 -2.99 114.58 117.16 3hkc h GLU 27 Ca 0.10 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3hkc h GLU 27 Cb 0.46 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3hkc h GLU 27 CO 0.02 0.46 0.00 0.72 -0.73 0.00 0.00 179.01 179.48 3hkc n HIS 28 N -4.04 0.83 -3.92 0.92 8.25 -0.06 -4.98 115.22 112.22 3hkc n HIS 28 Ca -0.02 -0.53 -0.28 0.00 -0.26 0.00 0.00 57.72 56.63 3hkc n HIS 28 Cb 0.45 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.51 3hkc n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hkc n GLY 29 N 1.00 -0.38 3.60 -1.41 0.00 0.80 -4.96 105.19 103.84 3hkc n GLY 29 Ca 0.19 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 3hkc n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkc s ILE 30 N -3.53 5.30 0.13 -0.61 1.01 -0.85 -4.59 121.20 118.08 3hkc s ILE 30 Ca 0.38 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 3hkc s ILE 30 Cb -0.19 -3.55 -0.07 0.00 0.01 0.00 0.00 42.46 38.66 3hkc s ILE 30 CO 0.85 0.25 1.23 -1.10 0.00 0.00 0.00 174.94 176.17 3hkc s GLN 31 N 1.70 4.45 0.03 2.79 -0.21 -0.91 -4.63 119.66 122.87 3hkc s GLN 31 Ca 0.08 1.87 0.01 0.00 0.02 0.00 0.00 55.36 57.34 3hkc s GLN 31 Cb -0.16 -3.28 0.11 0.00 1.00 0.00 0.00 33.01 30.69 3hkc s GLN 31 CO 0.10 -0.19 0.16 -2.30 -2.12 0.00 0.00 175.29 170.93 3hkc n PRO 32 N 3.18 -0.01 0.19 2.91 -0.02 -1.26 0.87 135.00 140.86 3hkc n PRO 32 Ca 0.07 0.14 0.18 0.00 -2.02 0.00 0.00 63.50 61.87 3hkc n PRO 32 Cb 0.45 -0.24 0.80 0.00 -0.02 0.00 0.00 33.50 34.49 3hkc n PRO 32 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3hkc h ASP 33 N 0.00 0.00 0.00 2.55 3.04 -1.91 -3.17 116.42 116.93 3hkc h ASP 33 Ca 0.07 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 3hkc h ASP 33 Cb 0.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.47 3hkc h ASP 33 CO -0.08 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.73 3hkc n GLY 34 N -1.39 1.38 3.76 7.15 0.00 0.25 -4.40 105.19 111.95 3hkc n GLY 34 Ca 0.03 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 3hkc n GLY 34 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hkc s GLN 35 N 0.00 4.54 -0.02 1.61 -2.07 -1.24 -2.73 119.66 119.75 3hkc s GLN 35 Ca 0.00 1.67 0.06 0.00 -1.82 0.00 0.00 55.36 55.27 3hkc s GLN 35 Cb 0.00 -3.02 -0.03 0.00 -1.09 0.00 0.00 33.01 28.87 3hkc s GLN 35 CO 0.00 0.16 -0.18 0.00 -1.32 0.00 0.00 175.29 173.95 3hkc s MET 36 N -1.71 2.28 -1.16 9.60 0.23 -1.26 -2.14 119.30 125.15 3hkc s MET 36 Ca 0.48 -0.83 -0.06 0.00 -1.03 0.00 0.00 55.69 54.24 3hkc s MET 36 Cb -0.28 -2.24 0.25 0.00 -1.53 0.00 0.00 34.83 31.03 3hkc s MET 36 CO 0.36 0.58 1.65 -2.30 -2.03 0.00 0.00 175.02 173.28 3hkc n PRO 37 N 2.13 4.17 0.00 3.16 -0.02 -1.26 -5.05 135.00 138.14 3hkc n PRO 37 Ca -0.17 -4.16 0.00 0.00 -2.02 0.00 0.00 63.50 57.16 3hkc n PRO 37 Cb 0.52 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3hkc n PRO 37 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hkc n ASP 47 N 2.27 0.00 0.00 2.55 5.68 -1.26 -5.22 116.55 120.57 3hkc n ASP 47 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 3hkc n ASP 47 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 3hkc n ASP 47 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3hkc n SER 48 N 0.00 0.00 -0.43 -1.12 2.88 -1.26 -3.88 113.62 109.81 3hkc n SER 48 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 3hkc n SER 48 Cb 0.00 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 63.87 3hkc n SER 48 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 3hkc n PHE 49 N 0.00 0.00 0.28 0.66 -0.00 -1.03 -4.00 117.46 113.36 3hkc n PHE 49 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.64 3hkc n PHE 49 Cb 0.00 -0.05 0.98 0.00 -0.00 0.00 0.00 39.48 40.41 3hkc n PHE 49 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3hkc h ASN 50 N 2.11 0.00 -0.83 5.98 -0.26 -1.79 -2.63 115.58 118.15 3hkc h ASN 50 Ca 0.00 0.00 0.24 0.00 -0.56 0.00 0.00 56.30 55.98 3hkc h ASN 50 Cb 0.55 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.78 3hkc h ASN 50 CO 0.00 0.00 0.60 0.71 -1.06 0.00 0.00 177.43 177.68 3hkc h THR 51 N 0.00 0.57 0.00 2.81 1.35 -1.82 -3.15 112.91 112.67 3hkc h THR 51 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3hkc h THR 51 Cb 0.03 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 3hkc h THR 51 CO 0.00 0.00 -0.93 0.49 -0.25 0.00 0.00 175.52 174.83 3hkc n PHE 52 N -4.25 0.00 -4.42 4.73 3.01 -1.00 -2.47 117.46 113.06 3hkc n PHE 52 Ca 0.17 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.36 3hkc n PHE 52 Cb 0.90 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 40.26 3hkc n PHE 52 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3hkc s PHE 53 N -1.89 2.33 -0.16 1.38 0.40 -1.19 -1.38 117.98 117.48 3hkc s PHE 53 Ca 0.00 -0.34 -0.06 0.00 -0.60 0.00 0.00 56.93 55.92 3hkc s PHE 53 Cb 0.00 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.36 3hkc s PHE 53 CO 0.00 0.53 0.05 -1.54 0.70 0.00 0.00 175.22 174.96 3hkc s SER 54 N -2.79 5.59 -0.87 1.36 1.04 -0.52 -4.52 113.70 113.00 3hkc s SER 54 Ca 0.22 0.12 -0.25 0.00 0.48 0.00 0.00 55.95 56.52 3hkc s SER 54 Cb -0.08 -1.89 -0.00 0.00 0.10 0.00 0.00 66.02 64.15 3hkc s SER 54 CO 0.11 0.23 1.71 -1.61 0.98 0.00 0.00 173.24 174.66 3hkc s GLU 55 N 0.03 2.95 0.12 4.02 2.02 -1.26 -3.13 118.70 123.45 3hkc s GLU 55 Ca 0.05 -0.38 -0.12 0.00 0.02 0.00 0.00 54.97 54.54 3hkc s GLU 55 Cb -0.12 -4.93 -0.06 0.00 0.10 0.00 0.00 34.13 29.11 3hkc s GLU 55 CO 0.01 -2.78 0.48 -0.08 0.02 0.00 0.00 175.26 172.91 3hkc s THR 56 N 7.89 4.97 0.00 3.63 -1.32 -1.26 -4.96 115.64 124.59 3hkc s THR 56 Ca 0.58 0.63 0.00 0.00 -1.21 0.00 0.00 61.69 61.70 3hkc s THR 56 Cb -0.06 -3.69 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 3hkc s THR 56 CO 0.02 0.24 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 3hkc n GLY 57 N 0.78 1.09 2.76 6.08 0.00 -1.26 -3.20 105.19 111.43 3hkc n GLY 57 Ca -0.06 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 3hkc n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkc s ALA 58 N -1.74 2.81 0.00 4.61 0.00 -1.26 -4.74 121.76 121.45 3hkc s ALA 58 Ca 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 51.96 48.82 3hkc s ALA 58 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.14 3hkc s ALA 58 CO 0.00 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.12 3hkc n GLY 59 N 2.75 1.24 3.48 0.00 0.00 -1.26 -5.17 105.19 106.24 3hkc n GLY 59 Ca 0.16 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3hkc n GLY 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hkc n LYS 60 N 0.00 -1.04 -1.04 1.61 4.81 -1.19 -3.87 118.16 117.43 3hkc n LYS 60 Ca 0.00 -1.93 -0.03 0.00 -0.87 0.00 0.00 58.31 55.48 3hkc n LYS 60 Cb 0.00 -1.16 -0.04 0.00 0.02 0.00 0.00 35.03 33.85 3hkc n LYS 60 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3hkc n HIS 61 N -3.55 0.00 -0.92 5.64 8.25 -1.11 -4.14 115.22 119.40 3hkc n HIS 61 Ca 0.15 -0.42 -0.34 0.00 -0.26 0.00 0.00 57.72 56.84 3hkc n HIS 61 Cb 0.52 0.30 -0.04 0.00 1.12 0.00 0.00 29.99 31.89 3hkc n HIS 61 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3hkc n VAL 62 N 0.12 0.46 -1.29 1.59 0.24 -1.18 -4.45 118.33 113.81 3hkc n VAL 62 Ca -0.16 -0.11 -0.34 0.00 -2.04 0.00 0.00 64.34 61.69 3hkc n VAL 62 Cb 0.78 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 33.26 3hkc n VAL 62 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3hkc s PRO 63 N -0.23 1.94 -1.04 7.34 0.02 -1.26 -1.43 135.00 140.34 3hkc s PRO 63 Ca 0.51 1.72 -0.12 0.00 0.02 0.00 0.00 61.00 63.12 3hkc s PRO 63 Cb -0.72 -1.81 0.23 0.00 0.02 0.00 0.00 34.50 32.22 3hkc s PRO 63 CO 0.35 -1.98 1.08 1.03 -0.33 0.00 0.00 177.00 177.15 3hkc s ARG 64 N -4.07 3.97 -0.01 5.54 0.52 -0.48 -4.71 118.95 119.72 3hkc s ARG 64 Ca 0.73 -2.77 -0.05 0.00 -0.52 0.00 0.00 55.73 53.11 3hkc s ARG 64 Cb -0.28 -4.65 0.00 0.00 0.52 0.00 0.00 34.95 30.54 3hkc s ARG 64 CO 0.48 -1.40 0.11 0.00 0.02 0.00 0.00 175.30 174.51 3hkc s ALA 65 N -0.01 -0.25 0.01 2.13 0.00 -1.26 -1.24 121.76 121.14 3hkc s ALA 65 Ca 0.30 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.21 3hkc s ALA 65 Cb -0.08 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3hkc s ALA 65 CO -0.07 -0.17 -0.19 0.14 0.00 0.00 0.00 175.76 175.47 3hkc s VAL 66 N -1.09 1.50 -0.15 0.00 -7.23 0.45 -4.83 120.40 109.05 3hkc s VAL 66 Ca -0.12 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 3hkc s VAL 66 Cb -0.07 -1.27 0.01 0.00 0.56 0.00 0.00 36.38 35.61 3hkc s VAL 66 CO 0.01 0.32 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.55 3hkc s PHE 67 N -0.58 2.70 0.01 2.82 0.40 -0.51 -0.76 117.98 122.06 3hkc s PHE 67 Ca 0.07 -1.38 0.06 0.00 -0.60 0.00 0.00 56.93 55.08 3hkc s PHE 67 Cb -0.08 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 3hkc s PHE 67 CO 0.00 -0.64 -0.18 0.14 0.70 0.00 0.00 175.22 175.24 3hkc s VAL 68 N 0.90 1.43 -0.02 -0.44 -7.23 -0.22 0.53 120.40 115.35 3hkc s VAL 68 Ca -0.05 -0.89 -0.16 0.00 -1.81 0.00 0.00 61.98 59.07 3hkc s VAL 68 Cb -0.15 -1.22 0.03 0.00 0.56 0.00 0.00 36.38 35.60 3hkc s VAL 68 CO -0.04 0.31 0.34 -0.62 -0.31 0.00 0.00 175.10 174.78 3hkc s ASP 69 N -0.68 -0.23 0.03 4.85 3.68 -0.84 -1.79 116.67 121.70 3hkc s ASP 69 Ca 0.06 0.13 0.25 0.00 2.13 0.00 0.00 52.55 55.12 3hkc s ASP 69 Cb -0.07 0.33 0.55 0.00 -1.45 0.00 0.00 42.92 42.28 3hkc s ASP 69 CO 0.00 -0.46 1.45 0.18 0.13 0.00 0.00 175.17 176.47 3hkc n LEU 70 N 1.23 0.50 -4.84 -1.34 4.32 -1.26 -2.12 117.00 113.49 3hkc n LEU 70 Ca -0.21 0.13 -0.24 0.00 -0.02 0.00 0.00 56.01 55.67 3hkc n LEU 70 Cb 0.56 -0.26 -0.04 0.00 -1.62 0.00 0.00 43.42 42.06 3hkc n LEU 70 CO 0.22 0.06 -0.17 -1.83 -1.22 0.00 0.00 177.39 174.45 3hkc s GLU 71 N -3.05 3.02 0.00 3.23 -1.05 -1.26 -2.59 118.70 117.00 3hkc s GLU 71 Ca 0.10 -0.91 0.00 0.00 -0.15 0.00 0.00 54.97 54.01 3hkc s GLU 71 Cb 0.17 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 31.19 3hkc s GLU 71 CO 0.68 0.45 0.38 -2.30 0.95 0.00 0.00 175.26 175.42 3hkc n PRO 72 N -0.82 0.00 0.00 -4.83 -0.02 -1.26 -4.28 135.00 123.78 3hkc n PRO 72 Ca -0.08 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3hkc n PRO 72 Cb 0.56 -0.91 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 3hkc n PRO 72 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3hkc n THR 73 N -0.77 0.00 -0.06 3.45 -1.04 -1.26 -0.95 114.28 113.65 3hkc n THR 73 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 3hkc n THR 73 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 3hkc n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3hkc h VAL 74 N 0.00 1.28 -0.05 12.58 2.07 -1.99 -2.33 116.25 127.82 3hkc h VAL 74 Ca 0.00 -1.75 -0.10 0.00 0.82 0.00 0.00 66.70 65.67 3hkc h VAL 74 Cb 0.00 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3hkc h VAL 74 CO 0.00 0.57 -0.44 0.40 0.02 0.00 0.00 177.57 178.12 3hkc h ILE 75 N 0.62 1.32 -0.66 4.57 1.08 -1.32 -3.02 117.51 120.10 3hkc h ILE 75 Ca 0.01 -1.55 -0.07 0.00 -0.39 0.00 0.00 64.86 62.86 3hkc h ILE 75 Cb 1.15 1.78 -0.03 0.00 -3.07 0.00 0.00 36.82 36.65 3hkc h ILE 75 CO 0.12 0.45 0.14 0.44 -0.69 0.00 0.00 178.15 178.61 3hkc h ASP 76 N 0.09 1.02 -0.17 1.72 5.19 -1.52 -2.39 116.42 120.36 3hkc h ASP 76 Ca 0.01 -0.24 0.05 0.00 -0.62 0.00 0.00 57.03 56.22 3hkc h ASP 76 Cb 0.81 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 3hkc h ASP 76 CO 0.06 1.00 0.15 -0.33 -3.12 0.00 0.00 179.24 177.00 3hkc h GLU 77 N 0.99 0.00 -0.03 3.56 3.07 -1.29 -2.66 114.58 118.21 3hkc h GLU 77 Ca 0.21 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.98 3hkc h GLU 77 Cb 0.39 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3hkc h GLU 77 CO 0.01 0.00 -0.31 0.28 -1.40 0.00 0.00 179.01 177.59 3hkc h VAL 78 N 0.00 1.47 -0.22 3.13 2.07 -1.45 -2.81 116.25 118.44 3hkc h VAL 78 Ca 0.08 -1.82 -0.12 0.00 0.82 0.00 0.00 66.70 65.66 3hkc h VAL 78 Cb 0.38 2.51 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 3hkc h VAL 78 CO -0.00 0.51 0.15 -2.11 0.02 0.00 0.00 177.57 176.15 3hkc n ARG 79 N -4.45 1.29 0.01 1.57 1.85 -1.06 -3.30 116.66 112.58 3hkc n ARG 79 Ca -0.09 -0.67 -0.03 0.00 -1.00 0.00 0.00 57.85 56.07 3hkc n ARG 79 Cb 0.51 -1.26 -0.01 0.00 -1.05 0.00 0.00 32.46 30.65 3hkc n ARG 79 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 3hkc n THR 80 N 0.35 1.20 -4.25 8.89 5.66 -1.03 -4.93 114.28 120.17 3hkc n THR 80 Ca 0.13 0.30 -0.35 0.00 -3.05 0.00 0.00 64.05 61.09 3hkc n THR 80 Cb 0.70 -1.75 -0.09 0.00 -1.55 0.00 0.00 70.33 67.64 3hkc n THR 80 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3hkc s GLY 81 N -4.30 1.88 0.45 1.09 0.00 -1.15 -4.82 107.32 100.47 3hkc s GLY 81 Ca -0.07 -0.78 -0.20 0.00 0.00 0.00 0.00 44.72 43.68 3hkc s GLY 81 CO 0.10 -0.36 -0.01 -1.30 0.00 0.00 0.00 173.10 171.53 3hkc n THR 82 N 2.59 0.33 0.00 0.90 -2.24 -1.26 -2.81 114.28 111.79 3hkc n THR 82 Ca -0.18 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3hkc n THR 82 Cb 0.53 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3hkc n THR 82 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3hkc n TYR 83 N -1.27 0.00 -0.32 4.78 0.53 -1.26 -4.90 117.16 114.72 3hkc n TYR 83 Ca 0.10 0.00 0.29 0.00 -1.02 0.00 0.00 57.90 57.26 3hkc n TYR 83 Cb 0.44 0.00 0.50 0.00 -1.03 0.00 0.00 39.34 39.25 3hkc n TYR 83 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 3hkc n ARG 84 N -0.02 -0.03 0.05 -0.72 0.63 -1.12 0.95 116.66 116.39 3hkc n ARG 84 Ca 0.00 1.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.90 3hkc n ARG 84 Cb 0.00 -1.91 -0.08 0.00 0.45 0.00 0.00 32.46 30.92 3hkc n ARG 84 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3hkc h GLN 85 N 0.00 0.00 0.65 -0.14 1.08 -1.89 -3.40 115.11 111.40 3hkc h GLN 85 Ca 0.67 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.84 3hkc h GLN 85 Cb 2.04 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 29.47 3hkc h GLN 85 CO -0.44 0.58 -0.31 1.25 -0.95 0.00 0.00 178.83 178.96 3hkc h LEU 86 N 0.00 -0.74-10.47 1.46 5.85 0.61 -3.45 115.31 108.57 3hkc h LEU 86 Ca -0.11 0.03 -0.43 0.00 0.84 0.00 0.00 57.88 58.21 3hkc h LEU 86 Cb 1.68 0.19 0.18 0.00 0.37 0.00 0.00 40.66 43.07 3hkc h LEU 86 CO 0.08 -0.52 0.21 -0.36 -0.34 0.00 0.00 178.44 177.51 3hkc s PHE 87 N -4.88 1.14 -0.15 1.25 2.99 -1.23 -4.36 117.98 112.75 3hkc s PHE 87 Ca -0.13 0.57 -0.05 0.00 0.00 0.00 0.00 56.93 57.33 3hkc s PHE 87 Cb 0.01 -3.53 -0.04 0.00 0.00 0.00 0.00 43.02 39.47 3hkc s PHE 87 CO 0.38 -3.36 0.03 -1.58 -0.00 0.00 0.00 175.22 170.68 3hkc s HIS 88 N -3.18 3.19 0.50 0.36 2.46 -1.26 -4.99 115.29 112.37 3hkc s HIS 88 Ca 0.70 0.04 0.42 0.00 0.47 0.00 0.00 55.06 56.69 3hkc s HIS 88 Cb -0.11 -1.96 1.60 0.00 -0.13 0.00 0.00 32.58 31.99 3hkc s HIS 88 CO 0.55 0.23 1.54 -0.35 -2.47 0.00 0.00 174.74 174.24 3hkc n PRO 89 N 3.07 -0.02 0.07 2.88 -0.04 -1.26 0.13 135.00 139.83 3hkc n PRO 89 Ca -0.18 1.14 0.13 0.00 -0.04 0.00 0.00 63.50 64.56 3hkc n PRO 89 Cb 0.53 -2.45 0.43 0.00 -0.04 0.00 0.00 33.50 31.97 3hkc n PRO 89 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3hkc n GLU 90 N -4.24 0.19 0.00 0.54 0.00 -1.26 -3.71 120.64 112.17 3hkc n GLU 90 Ca 0.42 0.14 0.14 0.00 0.00 0.00 0.00 57.16 57.87 3hkc n GLU 90 Cb 1.80 -1.71 0.64 0.00 0.00 0.00 0.00 31.44 32.16 3hkc n GLU 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3hkc n GLN 91 N -2.04 0.24 -3.69 3.44 6.02 0.35 -4.64 117.38 117.06 3hkc n GLN 91 Ca 0.06 -0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.63 3hkc n GLN 91 Cb 0.41 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.05 3hkc n GLN 91 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hkc s LEU 92 N -2.78 4.48 -0.12 1.08 1.43 -1.24 -1.42 118.68 120.10 3hkc s LEU 92 Ca 0.21 -1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 52.18 3hkc s LEU 92 Cb 0.19 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3hkc s LEU 92 CO 0.51 -0.35 0.03 -0.63 0.23 0.00 0.00 176.35 176.15 3hkc s ILE 93 N 1.46 4.57 0.02 -0.59 1.09 0.19 -4.97 121.20 122.97 3hkc s ILE 93 Ca -0.00 -0.13 0.02 0.00 -1.10 0.00 0.00 60.65 59.43 3hkc s ILE 93 Cb -0.19 -2.98 -0.01 0.00 -1.06 0.00 0.00 42.46 38.21 3hkc s ILE 93 CO 0.04 0.56 -0.06 0.28 -0.10 0.00 0.00 174.94 175.66 3hkc s THR 94 N -0.46 0.44 -0.12 2.92 -1.32 -1.26 -1.99 115.64 113.85 3hkc s THR 94 Ca 0.09 -0.60 0.17 0.00 -1.21 0.00 0.00 61.69 60.15 3hkc s THR 94 Cb -0.12 -0.44 0.27 0.00 -1.51 0.00 0.00 72.50 70.69 3hkc s THR 94 CO 0.02 -0.12 1.14 0.61 -2.21 0.00 0.00 174.62 174.06 3hkc n GLY 95 N 2.28 4.53 5.00 6.08 0.00 -0.90 -4.96 105.19 117.23 3hkc n GLY 95 Ca -0.17 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3hkc n GLY 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hkc n LYS 96 N -1.32 0.00 -4.47 1.61 4.81 -1.07 -4.77 118.16 112.95 3hkc n LYS 96 Ca 0.15 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.27 3hkc n LYS 96 Cb 0.65 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.59 3hkc n LYS 96 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3hkc s GLU 97 N 0.00 2.38 1.05 1.64 2.12 -1.12 -4.73 118.70 120.03 3hkc s GLU 97 Ca 0.00 -0.83 -0.12 0.00 0.36 0.00 0.00 54.97 54.38 3hkc s GLU 97 Cb 0.00 -2.40 0.22 0.00 0.26 0.00 0.00 34.13 32.21 3hkc s GLU 97 CO 0.00 0.57 1.07 0.34 -0.54 0.00 0.00 175.26 176.70 3hkc s ASP 98 N -1.54 2.11 0.23 -1.70 -1.08 -1.25 -4.20 116.67 109.24 3hkc s ASP 98 Ca 0.17 1.36 0.21 0.00 -0.52 0.00 0.00 52.55 53.77 3hkc s ASP 98 Cb -0.11 -2.06 0.05 0.00 -1.46 0.00 0.00 42.92 39.34 3hkc s ASP 98 CO 0.08 -3.47 1.16 0.00 0.52 0.00 0.00 175.17 173.45 3hkc h ALA 99 N -2.13 0.65 -6.37 3.66 0.00 -1.95 -3.48 119.26 109.64 3hkc h ALA 99 Ca -0.56 -0.19 -0.48 0.00 0.00 0.00 0.00 54.91 53.68 3hkc h ALA 99 Cb 1.32 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3hkc h ALA 99 CO 0.54 0.22 -0.87 0.00 0.00 0.00 0.00 179.25 179.14 3hkc n ALA 100 N -2.21 -1.99 -1.65 0.00 0.00 -1.26 -3.43 120.51 109.98 3hkc n ALA 100 Ca -0.01 -0.23 -0.17 0.00 0.00 0.00 0.00 53.44 53.04 3hkc n ALA 100 Cb 0.61 -1.70 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 3hkc n ALA 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hkc n ASN 101 N -3.00 -4.98 -3.82 0.00 3.02 -1.26 -4.93 115.26 100.29 3hkc n ASN 101 Ca -0.30 0.33 -0.12 0.00 -0.03 0.00 0.00 54.58 54.45 3hkc n ASN 101 Cb 0.68 -3.98 -0.13 0.00 -0.61 0.00 0.00 39.78 35.74 3hkc n ASN 101 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hkc s ASN 102 N -2.71 -0.14 0.13 6.41 4.22 -1.22 -4.57 114.94 117.06 3hkc s ASN 102 Ca 0.00 0.28 -0.25 0.00 -2.14 0.00 0.00 52.86 50.74 3hkc s ASN 102 Cb 0.00 0.27 -0.04 0.00 1.28 0.00 0.00 41.25 42.76 3hkc s ASN 102 CO 0.00 -0.06 1.63 0.22 -2.04 0.00 0.00 177.10 176.85 3hkc h TYR 103 N 6.07 -0.71 -0.98 1.54 3.20 -1.88 -1.37 116.97 122.84 3hkc h TYR 103 Ca -0.27 0.03 0.15 0.00 3.14 0.00 0.00 58.73 61.78 3hkc h TYR 103 Cb 1.19 0.32 -0.16 0.00 1.54 0.00 0.00 36.73 39.62 3hkc h TYR 103 CO 0.41 -0.35 -0.38 0.00 -1.64 0.00 0.00 178.16 176.20 3hkc n ALA 104 N -2.70 -0.11 0.15 1.82 0.00 -1.26 -0.74 120.51 117.67 3hkc n ALA 104 Ca -0.04 0.98 -0.14 0.00 0.00 0.00 0.00 53.44 54.24 3hkc n ALA 104 Cb 0.29 -0.45 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 3hkc n ALA 104 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3hkc h ARG 105 N 0.00 -0.34 0.22 0.00 9.65 -1.53 -0.41 114.38 121.97 3hkc h ARG 105 Ca 0.35 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.26 3hkc h ARG 105 Cb 0.59 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 3hkc h ARG 105 CO -0.98 -0.10 -0.26 0.78 2.80 0.00 0.00 179.97 182.21 3hkc h GLY 106 N -0.54 -0.56 0.97 2.80 0.00 -0.57 0.62 103.07 105.80 3hkc h GLY 106 Ca -0.04 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3hkc h GLY 106 CO 0.06 -0.23 -0.08 0.84 0.00 0.00 0.00 176.54 177.13 3hkc h HIS 107 N -0.53 -0.21 0.00 5.60 -0.00 -0.91 -1.31 115.15 117.79 3hkc h HIS 107 Ca 0.00 -0.01 -0.37 0.00 -0.00 0.00 0.00 60.37 59.99 3hkc h HIS 107 Cb 0.51 0.07 -0.06 0.00 -0.00 0.00 0.00 27.41 27.93 3hkc h HIS 107 CO -0.19 -0.10 -2.35 0.66 -0.00 0.00 0.00 177.93 175.94 3hkc n TYR 108 N -5.17 0.00 -0.01 5.26 4.02 -0.17 -3.65 117.16 117.44 3hkc n TYR 108 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.79 3hkc n TYR 108 Cb 0.13 -0.89 -0.00 0.00 -0.02 0.00 0.00 39.34 38.55 3hkc n TYR 108 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hkc n THR 109 N -3.52 0.19 0.78 -0.72 -1.04 -0.22 -3.75 114.28 105.99 3hkc n THR 109 Ca -0.44 0.46 0.13 0.00 -2.04 0.00 0.00 64.05 62.16 3hkc n THR 109 Cb 0.91 -1.61 0.44 0.00 -1.82 0.00 0.00 70.33 68.24 3hkc n THR 109 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkc n ILE 110 N -2.67 0.32 -0.07 12.58 0.13 0.04 -4.12 119.36 125.57 3hkc n ILE 110 Ca -0.01 -0.16 -0.16 0.00 -1.10 0.00 0.00 62.75 61.31 3hkc n ILE 110 Cb 0.05 -0.43 -0.13 0.00 -0.84 0.00 0.00 39.64 38.29 3hkc n ILE 110 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3hkc h GLY 111 N 4.72 0.02 -0.69 4.50 0.00 -1.17 -3.35 103.07 107.10 3hkc h GLY 111 Ca 0.00 -0.05 0.23 0.00 0.00 0.00 0.00 47.33 47.51 3hkc h GLY 111 CO 0.00 0.04 0.46 1.17 0.00 0.00 0.00 176.54 178.21 3hkc n LYS 112 N -4.54 -0.01 -0.03 4.80 4.81 -1.24 -1.87 118.16 120.08 3hkc n LYS 112 Ca -0.15 0.54 -0.19 0.00 -0.87 0.00 0.00 58.31 57.64 3hkc n LYS 112 Cb 0.54 -1.11 -0.13 0.00 0.02 0.00 0.00 35.03 34.35 3hkc n LYS 112 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3hkc h GLU 113 N 0.00 0.13 0.00 1.64 4.39 -1.79 -3.38 114.58 115.57 3hkc h GLU 113 Ca 0.40 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3hkc h GLU 113 Cb 1.38 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 3hkc h GLU 113 CO -0.15 1.11 -0.53 0.82 -1.16 0.00 0.00 179.01 179.09 3hkc h ILE 114 N -0.67 0.00 -0.26 3.13 5.03 -1.56 -3.38 117.51 119.80 3hkc h ILE 114 Ca -0.18 -0.72 -0.00 0.00 -0.12 0.00 0.00 64.86 63.84 3hkc h ILE 114 Cb 1.41 1.41 -0.01 0.00 -3.03 0.00 0.00 36.82 36.59 3hkc h ILE 114 CO 0.01 0.00 0.14 -0.29 -0.68 0.00 0.00 178.15 177.34 3hkc h ILE 115 N 0.00 1.08 0.00 -0.67 -0.00 -1.70 -1.28 117.51 114.94 3hkc h ILE 115 Ca 0.00 -0.20 -0.11 0.00 -0.00 0.00 0.00 64.86 64.54 3hkc h ILE 115 Cb 0.86 0.73 -0.02 0.00 -0.00 0.00 0.00 36.82 38.39 3hkc h ILE 115 CO 0.00 0.09 -0.54 0.44 -0.00 0.00 0.00 178.15 178.14 3hkc h ASP 116 N 0.35 0.00 0.27 2.19 3.32 -1.83 -1.70 116.42 119.03 3hkc h ASP 116 Ca 0.09 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.83 3hkc h ASP 116 Cb 0.01 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.59 3hkc h ASP 116 CO -0.02 0.54 -1.37 0.25 -1.72 0.00 0.00 179.24 176.92 3hkc h LEU 117 N 0.00 0.80 -0.09 1.55 5.85 -1.52 -2.90 115.31 119.00 3hkc h LEU 117 Ca -0.01 -0.81 -0.03 0.00 0.84 0.00 0.00 57.88 57.88 3hkc h LEU 117 Cb 1.15 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 3hkc h LEU 117 CO 0.07 1.63 -0.05 0.58 -0.34 0.00 0.00 178.44 180.33 3hkc h VAL 118 N 0.18 1.33 -0.16 1.05 2.07 -1.37 -1.90 116.25 117.45 3hkc h VAL 118 Ca -0.22 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 3hkc h VAL 118 Cb 2.06 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 3hkc h VAL 118 CO 0.25 0.30 0.04 0.25 0.02 0.00 0.00 177.57 178.43 3hkc h LEU 119 N -0.19 0.20 0.31 2.57 5.85 -1.42 -1.90 115.31 120.73 3hkc h LEU 119 Ca 0.02 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3hkc h LEU 119 Cb 0.50 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3hkc h LEU 119 CO 0.01 0.21 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.40 3hkc h ASP 120 N 0.23 -0.35 -1.12 1.25 -0.00 -1.44 -3.01 116.42 111.97 3hkc h ASP 120 Ca 0.06 0.01 0.33 0.00 -0.00 0.00 0.00 57.03 57.43 3hkc h ASP 120 Cb 0.10 0.09 -0.12 0.00 -0.00 0.00 0.00 39.33 39.40 3hkc h ASP 120 CO -0.00 -0.21 0.71 -0.09 -0.00 0.00 0.00 179.24 179.65 3hkc h ARG 121 N -0.51 0.27 0.07 0.28 2.43 -0.87 0.55 114.38 116.60 3hkc h ARG 121 Ca -0.04 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3hkc h ARG 121 Cb 0.32 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3hkc h ARG 121 CO 0.07 0.18 -0.10 0.82 -1.51 0.00 0.00 179.97 179.44 3hkc h ILE 122 N 0.28 0.77 -0.61 1.20 2.04 -1.44 -2.52 117.51 117.23 3hkc h ILE 122 Ca 0.70 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.58 3hkc h ILE 122 Cb 1.89 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 3hkc h ILE 122 CO -0.41 0.00 0.40 -0.09 0.00 0.00 0.00 178.15 178.06 3hkc h ARG 123 N -0.20 0.74 -1.00 2.37 2.43 0.23 0.81 114.38 119.75 3hkc h ARG 123 Ca 0.01 -0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.30 3hkc h ARG 123 Cb 0.21 -0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 29.50 3hkc h ARG 123 CO -0.05 0.49 0.62 -0.22 -1.51 0.00 0.00 179.97 179.30 3hkc h LYS 124 N 0.76 0.83 -0.02 0.20 3.64 -0.94 0.19 116.57 121.24 3hkc h LYS 124 Ca 0.24 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.34 3hkc h LYS 124 Cb 0.01 -0.19 0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3hkc h LYS 124 CO -0.06 0.55 -0.87 -0.07 -2.27 0.00 0.00 179.45 176.73 3hkc h LEU 125 N 0.86 0.81 -2.07 5.20 3.38 -0.52 -3.14 115.31 119.84 3hkc h LEU 125 Ca 0.54 -0.73 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3hkc h LEU 125 Cb 0.73 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hkc h LEU 125 CO -0.33 1.42 -0.00 0.00 0.09 0.00 0.00 178.44 179.63 3hkc h ALA 126 N 0.40 1.93 -0.54 1.53 0.00 -0.82 -2.97 119.26 118.79 3hkc h ALA 126 Ca -0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hkc h ALA 126 Cb 1.54 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 3hkc h ALA 126 CO 0.17 0.00 0.20 -0.44 0.00 0.00 0.00 179.25 179.18 3hkc h ASP 127 N 0.00 0.72 -2.18 0.00 3.45 -0.57 -2.91 116.42 114.93 3hkc h ASP 127 Ca -0.00 -0.09 -0.78 0.00 0.43 0.00 0.00 57.03 56.58 3hkc h ASP 127 Cb 0.00 -0.18 -0.28 0.00 -0.56 0.00 0.00 39.33 38.31 3hkc h ASP 127 CO 0.00 0.66 0.93 0.00 -1.57 0.00 0.00 179.24 179.26 3hkc n GLN 128 N -4.32 4.66 -3.50 3.56 0.00 -1.12 -4.87 117.38 111.79 3hkc n GLN 128 Ca 0.04 -4.40 -0.20 0.00 0.00 0.00 0.00 57.00 52.43 3hkc n GLN 128 Cb 0.17 -2.41 -0.13 0.00 0.00 0.00 0.00 30.24 27.88 3hkc n GLN 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hkc n THR 130 N 5.30 3.88 0.00 0.00 -2.24 -1.26 -3.80 114.28 116.17 3hkc n THR 130 Ca -0.05 -3.90 0.00 0.00 -2.27 0.00 0.00 64.05 57.83 3hkc n THR 130 Cb 0.48 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 3hkc n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hkc n GLY 131 N 4.61 0.96 3.59 3.38 0.00 -1.26 -4.87 105.19 111.61 3hkc n GLY 131 Ca 0.47 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 3hkc n GLY 131 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hkc n LEU 132 N 0.00 2.14 -0.02 0.99 7.94 -1.25 -3.38 117.00 123.41 3hkc n LEU 132 Ca 0.00 1.07 -0.02 0.00 -1.11 0.00 0.00 56.01 55.96 3hkc n LEU 132 Cb 0.00 -1.31 -0.01 0.00 0.53 0.00 0.00 43.42 42.63 3hkc n LEU 132 CO 0.00 -1.56 -0.14 1.67 -1.11 0.00 0.00 177.39 176.26 3hkc n GLN 133 N 0.38 0.13 -0.35 1.96 7.27 -1.14 -4.77 117.38 120.87 3hkc n GLN 133 Ca 0.09 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.37 3hkc n GLN 133 Cb 0.37 -0.89 0.00 0.00 2.41 0.00 0.00 30.24 32.13 3hkc n GLN 133 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hkc n GLY 134 N 1.61 3.12 3.06 1.69 0.00 -1.26 -3.70 105.19 109.71 3hkc n GLY 134 Ca -0.03 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 3hkc n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hkc s PHE 135 N -4.11 1.46 -0.42 1.61 0.40 -0.49 -2.75 117.98 113.68 3hkc s PHE 135 Ca 0.00 -0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 3hkc s PHE 135 Cb 0.00 -1.04 0.07 0.00 0.51 0.00 0.00 43.02 42.56 3hkc s PHE 135 CO 0.00 -0.21 0.27 -0.51 0.70 0.00 0.00 175.22 175.47 3hkc s LEU 136 N 0.38 5.14 -0.31 -0.37 1.43 -0.39 -0.79 118.68 123.76 3hkc s LEU 136 Ca -0.09 -1.35 -0.14 0.00 -1.03 0.00 0.00 54.13 51.52 3hkc s LEU 136 Cb -0.13 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3hkc s LEU 136 CO 0.03 -0.52 0.31 -0.69 0.23 0.00 0.00 176.35 175.71 3hkc s VAL 137 N 1.50 5.22 -0.18 -1.59 1.01 -0.40 -0.98 120.40 124.97 3hkc s VAL 137 Ca 0.03 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 3hkc s VAL 137 Cb -0.22 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3hkc s VAL 137 CO 0.04 0.05 0.08 -0.36 0.00 0.00 0.00 175.10 174.91 3hkc s PHE 138 N 1.94 3.31 0.15 5.22 0.40 0.69 -1.58 117.98 128.11 3hkc s PHE 138 Ca 0.11 0.17 -0.21 0.00 -0.60 0.00 0.00 56.93 56.39 3hkc s PHE 138 Cb -0.16 -2.09 0.06 0.00 0.51 0.00 0.00 43.02 41.33 3hkc s PHE 138 CO 0.11 0.22 0.55 -3.38 0.70 0.00 0.00 175.22 173.42 3hkc s HIS 139 N 0.30 -0.46 0.30 0.36 -3.43 -1.14 -1.63 115.29 109.59 3hkc s HIS 139 Ca 0.05 0.24 -0.27 0.00 -0.80 0.00 0.00 55.06 54.28 3hkc s HIS 139 Cb -0.12 0.48 -0.10 0.00 -1.43 0.00 0.00 32.58 31.42 3hkc s HIS 139 CO -0.00 -0.81 0.97 -1.54 -2.00 0.00 0.00 174.74 171.36 3hkc s SER 140 N -2.72 7.36 -0.07 7.38 1.04 -1.26 -1.95 113.70 123.48 3hkc s SER 140 Ca 0.01 1.93 -0.07 0.00 0.48 0.00 0.00 55.95 58.29 3hkc s SER 140 Cb -0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 3hkc s SER 140 CO -0.12 -0.05 0.30 0.15 0.98 0.00 0.00 173.24 174.49 3hkc h PHE 141 N 3.43 -0.21 -5.06 5.02 -0.00 -1.76 -3.22 116.94 115.14 3hkc h PHE 141 Ca -0.46 -0.01 -0.43 0.00 -0.00 0.00 0.00 57.97 57.07 3hkc h PHE 141 Cb 1.20 0.07 0.10 0.00 -0.00 0.00 0.00 35.95 37.31 3hkc h PHE 141 CO 0.61 -0.10 0.16 0.41 -0.00 0.00 0.00 178.31 179.39 3hkc n GLY 142 N 1.18 0.23 0.00 2.40 0.00 -1.26 -3.51 105.19 104.23 3hkc n GLY 142 Ca -0.03 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3hkc n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkc n GLY 143 N -2.35 -0.74 0.00 -0.02 0.00 -1.26 -4.55 105.19 96.27 3hkc n GLY 143 Ca 0.15 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3hkc n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkc n GLY 144 N -0.03 -2.58 0.11 -0.02 0.00 -1.26 -2.31 105.19 99.10 3hkc n GLY 144 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3hkc n GLY 144 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hkc h THR 145 N 0.00 1.54 -0.79 2.61 1.35 -1.86 -2.88 112.91 112.89 3hkc h THR 145 Ca 0.00 -2.78 0.14 0.00 -0.55 0.00 0.00 66.41 63.22 3hkc h THR 145 Cb 0.00 2.55 -0.09 0.00 -1.73 0.00 0.00 68.15 68.87 3hkc h THR 145 CO 0.00 0.80 0.35 1.23 -0.25 0.00 0.00 175.52 177.65 3hkc h GLY 146 N 2.12 1.23 0.08 5.82 0.00 -1.80 0.31 103.07 110.84 3hkc h GLY 146 Ca -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3hkc h GLY 146 CO 0.13 -0.08 -0.04 1.48 0.00 0.00 0.00 176.54 178.03 3hkc h SER 147 N 0.51 -0.10 0.32 0.19 4.64 -1.47 -3.35 113.55 114.30 3hkc h SER 147 Ca 0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.74 3hkc h SER 147 Cb 0.64 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3hkc h SER 147 CO -0.39 0.33 -0.16 1.23 -0.87 0.00 0.00 176.83 176.98 3hkc h GLY 148 N -0.91 -0.45 1.31 -0.77 0.00 -1.45 -2.39 103.07 98.40 3hkc h GLY 148 Ca -0.01 0.17 -0.19 0.00 0.00 0.00 0.00 47.33 47.30 3hkc h GLY 148 CO 0.02 -0.17 -0.63 -2.75 0.00 0.00 0.00 176.54 173.01 3hkc h PHE 149 N -0.70 0.91 -0.36 5.60 3.04 -1.12 -2.57 116.94 121.74 3hkc h PHE 149 Ca -0.04 -0.35 0.06 0.00 3.98 0.00 0.00 57.97 61.61 3hkc h PHE 149 Cb 0.48 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.78 3hkc h PHE 149 CO 0.01 1.15 0.07 1.15 -2.02 0.00 0.00 178.31 178.66 3hkc h THR 150 N 0.52 0.81 0.00 4.41 2.02 -1.59 0.11 112.91 119.19 3hkc h THR 150 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3hkc h THR 150 Cb 1.22 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3hkc h THR 150 CO 0.13 0.03 0.00 -0.24 0.37 0.00 0.00 175.52 175.81 3hkc n SER 151 N -5.10 0.00 -0.54 4.18 2.88 -0.90 -0.97 113.62 113.17 3hkc n SER 151 Ca 0.02 0.92 0.44 0.00 -1.33 0.00 0.00 58.87 58.92 3hkc n SER 151 Cb 0.16 -0.42 0.72 0.00 -0.75 0.00 0.00 64.21 63.92 3hkc n SER 151 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3hkc h LEU 152 N 0.00 0.14 0.56 2.46 5.85 -1.34 -0.61 115.31 122.37 3hkc h LEU 152 Ca 0.00 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3hkc h LEU 152 Cb 0.00 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.14 3hkc h LEU 152 CO 0.00 -0.16 -0.27 0.25 -0.34 0.00 0.00 178.44 177.92 3hkc h LEU 153 N 0.02 -0.64 -1.43 2.25 6.46 -0.24 -3.07 115.31 118.66 3hkc h LEU 153 Ca 0.88 0.02 0.20 0.00 -0.12 0.00 0.00 57.88 58.86 3hkc h LEU 153 Cb 3.06 0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 43.09 3hkc h LEU 153 CO -0.31 -0.34 0.60 0.24 -0.62 0.00 0.00 178.44 178.01 3hkc h MET 154 N -0.99 0.46 0.40 1.25 2.86 0.55 0.12 114.93 119.57 3hkc h MET 154 Ca -0.08 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3hkc h MET 154 Cb 0.58 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3hkc h MET 154 CO 0.13 0.30 -0.29 0.93 1.06 0.00 0.00 176.91 179.05 3hkc h GLU 155 N 0.47 -0.65 -0.48 1.72 5.08 -1.53 0.10 114.58 119.30 3hkc h GLU 155 Ca 0.48 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.79 3hkc h GLU 155 Cb 1.10 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3hkc h GLU 155 CO -0.20 -0.43 -0.07 0.00 -1.00 0.00 0.00 179.01 177.30 3hkc h ARG 156 N -0.68 0.84 -0.46 2.33 2.47 -0.96 -2.23 114.38 115.69 3hkc h ARG 156 Ca -0.04 -0.27 -0.13 0.00 -1.26 0.00 0.00 59.98 58.29 3hkc h ARG 156 Cb 0.57 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 3hkc h ARG 156 CO 0.02 0.89 -0.21 -0.07 0.56 0.00 0.00 179.97 181.15 3hkc h LEU 157 N 0.77 0.95 -2.60 3.04 3.38 -0.80 0.42 115.31 120.47 3hkc h LEU 157 Ca 0.13 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hkc h LEU 157 Cb 0.56 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hkc h LEU 157 CO 0.03 1.12 0.00 -1.28 0.09 0.00 0.00 178.44 178.41 3hkc h SER 158 N 0.81 0.00 0.01 -0.43 0.87 -0.26 -1.87 113.55 112.68 3hkc h SER 158 Ca 0.11 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.47 3hkc h SER 158 Cb 0.77 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 3hkc h SER 158 CO 0.06 0.00 -1.10 0.58 -0.53 0.00 0.00 176.83 175.84 3hkc h VAL 159 N 0.00 1.04 0.00 2.23 2.07 -0.44 -3.37 116.25 117.78 3hkc h VAL 159 Ca 0.00 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.30 3hkc h VAL 159 Cb 0.01 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3hkc h VAL 159 CO -0.00 0.39 0.00 0.47 0.02 0.00 0.00 177.57 178.45 3hkc n ASP 160 N -4.41 0.26 -3.50 0.57 10.43 -0.09 -4.46 116.55 115.36 3hkc n ASP 160 Ca -0.29 0.55 -0.28 0.00 2.57 0.00 0.00 54.79 57.35 3hkc n ASP 160 Cb 0.67 -0.61 -0.11 0.00 1.84 0.00 0.00 41.12 42.91 3hkc n ASP 160 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3hkc s TYR 161 N -3.10 1.26 0.00 1.24 1.51 -0.71 -5.08 117.35 112.48 3hkc s TYR 161 Ca 0.08 -2.17 0.00 0.00 -1.01 0.00 0.00 57.07 53.96 3hkc s TYR 161 Cb 0.11 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.79 3hkc s TYR 161 CO 0.38 -0.80 0.52 0.41 -1.11 0.00 0.00 175.55 174.94 3hkc n GLY 162 N 3.28 -3.52 0.00 0.71 0.00 -1.26 -4.25 105.19 100.15 3hkc n GLY 162 Ca 0.20 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.84 3hkc n GLY 162 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hkc n LYS 163 N -0.95 0.00 -0.01 1.61 5.02 -1.26 -4.97 118.16 117.59 3hkc n LYS 163 Ca 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3hkc n LYS 163 Cb 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 3hkc n LYS 163 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hkc n LYS 164 N -0.75 0.00 -0.89 1.97 4.76 -1.26 -4.82 118.16 117.17 3hkc n LYS 164 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 3hkc n LYS 164 Cb 0.00 0.00 0.14 0.00 -1.84 0.00 0.00 35.03 33.33 3hkc n LYS 164 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3hkc s SER 165 N 0.00 3.38 -0.05 4.39 0.01 -1.24 -4.79 113.70 115.39 3hkc s SER 165 Ca 0.00 2.14 0.01 0.00 1.31 0.00 0.00 55.95 59.42 3hkc s SER 165 Cb 0.00 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.69 3hkc s SER 165 CO 0.00 -2.80 -0.06 -0.54 0.41 0.00 0.00 173.24 170.25 3hkc s LYS 166 N -4.61 1.02 -0.21 12.44 1.02 -1.26 -1.40 119.74 126.74 3hkc s LYS 166 Ca 0.67 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 56.48 3hkc s LYS 166 Cb -0.22 -0.95 0.03 0.00 -0.52 0.00 0.00 37.83 36.17 3hkc s LYS 166 CO 0.56 -0.04 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.29 3hkc s LEU 167 N 0.78 2.69 -0.06 3.17 1.02 0.03 -0.58 118.68 125.73 3hkc s LEU 167 Ca -0.12 -0.93 -0.02 0.00 0.02 0.00 0.00 54.13 53.08 3hkc s LEU 167 Cb -0.14 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.51 3hkc s LEU 167 CO 0.01 -0.08 0.07 -1.83 0.02 0.00 0.00 176.35 174.54 3hkc s GLU 168 N 1.23 3.11 -0.68 1.70 -1.05 -0.71 -1.27 118.70 121.04 3hkc s GLU 168 Ca -0.00 -0.38 -0.00 0.00 -0.15 0.00 0.00 54.97 54.43 3hkc s GLU 168 Cb -0.16 -2.91 0.17 0.00 -0.44 0.00 0.00 34.13 30.80 3hkc s GLU 168 CO -0.09 0.70 0.49 -0.06 0.95 0.00 0.00 175.26 177.24 3hkc s PHE 169 N -1.05 3.49 0.37 4.83 0.40 -0.61 0.67 117.98 126.09 3hkc s PHE 169 Ca 0.18 -2.97 -0.22 0.00 -0.60 0.00 0.00 56.93 53.32 3hkc s PHE 169 Cb -0.12 -3.07 -0.10 0.00 0.51 0.00 0.00 43.02 40.24 3hkc s PHE 169 CO 0.08 -0.76 0.92 -1.12 0.70 0.00 0.00 175.22 175.04 3hkc s SER 170 N -0.00 7.07 -0.65 1.36 0.01 -0.75 -2.90 113.70 117.84 3hkc s SER 170 Ca 0.20 1.69 -0.04 0.00 1.31 0.00 0.00 55.95 59.11 3hkc s SER 170 Cb -0.16 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.70 3hkc s SER 170 CO -0.07 -0.22 0.49 -0.63 0.41 0.00 0.00 173.24 173.22 3hkc s ILE 171 N -1.93 3.98 0.03 1.44 1.09 -0.82 -0.71 121.20 124.27 3hkc s ILE 171 Ca 0.56 -2.89 -0.30 0.00 -1.10 0.00 0.00 60.65 56.92 3hkc s ILE 171 Cb -0.13 -3.57 -0.08 0.00 -1.06 0.00 0.00 42.46 37.62 3hkc s ILE 171 CO 0.18 -0.90 1.78 -0.47 -0.10 0.00 0.00 174.94 175.42 3hkc s TYR 172 N -0.03 1.90 0.35 3.97 6.14 -0.27 -2.20 117.35 127.21 3hkc s TYR 172 Ca 0.17 -0.01 -0.25 0.00 0.64 0.00 0.00 57.07 57.62 3hkc s TYR 172 Cb -0.19 -4.07 -0.10 0.00 0.42 0.00 0.00 41.96 38.02 3hkc s TYR 172 CO -0.04 -4.55 0.96 -1.25 0.64 0.00 0.00 175.55 171.31 3hkc s PRO 173 N 3.60 4.46 -0.07 4.97 0.04 -1.26 -1.53 135.00 145.20 3hkc s PRO 173 Ca 0.79 1.31 0.03 0.00 0.04 0.00 0.00 61.00 63.17 3hkc s PRO 173 Cb -0.40 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.51 3hkc s PRO 173 CO 0.35 0.16 -0.16 0.00 0.04 0.00 0.00 177.00 177.39 3hkc s ALA 174 N -1.74 1.58 0.01 8.56 0.00 -1.26 -4.83 121.76 124.09 3hkc s ALA 174 Ca 0.54 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 3hkc s ALA 174 Cb -0.17 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 3hkc s ALA 174 CO 0.22 0.18 0.28 -2.30 0.00 0.00 0.00 175.76 174.14 3hkc n PRO 175 N 3.66 -0.03 -0.10 0.00 -0.02 -1.26 -1.79 135.00 135.47 3hkc n PRO 175 Ca -0.21 0.28 -0.08 0.00 -2.02 0.00 0.00 63.50 61.46 3hkc n PRO 175 Cb 0.52 -0.41 -0.01 0.00 -0.02 0.00 0.00 33.50 33.59 3hkc n PRO 175 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3hkc h GLN 176 N 0.00 0.42 -3.51 -0.52 -0.00 -2.01 -3.32 115.11 106.17 3hkc h GLN 176 Ca 0.01 -0.03 -0.69 0.00 -0.00 0.00 0.00 58.65 57.94 3hkc h GLN 176 Cb 0.03 -0.09 -0.36 0.00 -0.00 0.00 0.00 27.48 27.06 3hkc h GLN 176 CO -0.07 0.28 -0.34 0.08 -0.00 0.00 0.00 178.83 178.78 3hkc s VAL 177 N -6.17 3.76 0.16 1.86 1.01 -0.74 -5.03 120.40 115.26 3hkc s VAL 177 Ca -0.13 -3.14 -0.04 0.00 0.00 0.00 0.00 61.98 58.67 3hkc s VAL 177 Cb 0.10 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3hkc s VAL 177 CO 0.71 -0.91 0.16 -0.94 0.00 0.00 0.00 175.10 174.12 3hkc s SER 178 N 0.47 0.17 -0.19 3.32 1.04 -1.21 -3.98 113.70 113.33 3hkc s SER 178 Ca 0.19 -1.14 -0.07 0.00 0.48 0.00 0.00 55.95 55.40 3hkc s SER 178 Cb -0.18 0.37 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 3hkc s SER 178 CO -0.05 -0.83 -0.22 0.41 0.98 0.00 0.00 173.24 173.53 3hkc n THR 179 N -0.19 1.04 -4.64 2.02 -1.04 -1.26 -5.09 114.28 105.12 3hkc n THR 179 Ca -0.04 -0.30 -0.28 0.00 -2.04 0.00 0.00 64.05 61.40 3hkc n THR 179 Cb 0.64 -1.60 -0.14 0.00 -1.82 0.00 0.00 70.33 67.41 3hkc n THR 179 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkc s ALA 180 N -2.35 2.08 0.08 2.41 0.00 -1.26 -5.04 121.76 117.67 3hkc s ALA 180 Ca -0.26 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.34 3hkc s ALA 180 Cb 0.09 -0.39 -0.23 0.00 0.00 0.00 0.00 23.12 22.59 3hkc s ALA 180 CO 0.35 0.47 1.17 0.28 0.00 0.00 0.00 175.76 178.03 3hkc h VAL 181 N 4.17 1.34 0.00 0.00 2.07 -1.98 -3.24 116.25 118.61 3hkc h VAL 181 Ca -0.46 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 64.55 3hkc h VAL 181 Cb 1.16 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 3hkc h VAL 181 CO 0.42 0.76 0.00 0.55 0.02 0.00 0.00 177.57 179.32 3hkc n VAL 182 N -3.75 0.00 -0.24 2.57 3.14 -1.26 -4.41 118.33 114.37 3hkc n VAL 182 Ca -0.11 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.22 3hkc n VAL 182 Cb 0.94 -0.41 0.01 0.00 -1.06 0.00 0.00 33.84 33.32 3hkc n VAL 182 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 3hkc h GLU 183 N 0.00 -0.13 -0.61 1.45 4.57 -1.88 -1.35 114.58 116.63 3hkc h GLU 183 Ca 0.00 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 3hkc h GLU 183 Cb 0.00 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 28.50 3hkc h GLU 183 CO 0.00 -0.09 -0.26 -1.35 -1.18 0.00 0.00 179.01 176.13 3hkc h PRO 184 N -0.14 -0.10 -0.18 0.92 0.11 -1.88 -1.56 132.00 129.17 3hkc h PRO 184 Ca 0.25 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.39 3hkc h PRO 184 Cb 0.56 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.64 3hkc h PRO 184 CO -0.74 -0.07 -0.43 1.88 -0.21 0.00 0.00 178.00 178.43 3hkc h TYR 185 N -0.10 -1.30 -0.55 0.65 0.99 -1.58 -1.67 116.97 113.40 3hkc h TYR 185 Ca 0.27 0.05 0.10 0.00 2.00 0.00 0.00 58.73 61.15 3hkc h TYR 185 Cb 0.53 0.59 -0.08 0.00 1.00 0.00 0.00 36.73 38.77 3hkc h TYR 185 CO -0.59 -0.42 0.11 -0.91 -0.00 0.00 0.00 178.16 176.36 3hkc h ASN 186 N -0.41 0.00 -0.11 3.88 2.35 -1.38 0.70 115.58 120.61 3hkc h ASN 186 Ca 0.04 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3hkc h ASN 186 Cb 0.51 0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.97 3hkc h ASN 186 CO -0.39 0.02 -0.40 0.28 -1.65 0.00 0.00 177.43 175.30 3hkc h SER 187 N 0.25 -1.27 0.27 5.81 0.02 -0.75 0.17 113.55 118.05 3hkc h SER 187 Ca 0.28 0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.34 3hkc h SER 187 Cb 0.40 0.50 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3hkc h SER 187 CO -0.36 -0.35 -0.19 0.40 -1.14 0.00 0.00 176.83 175.19 3hkc h ILE 188 N -0.41 0.97 0.44 3.27 1.08 -0.94 -1.71 117.51 120.20 3hkc h ILE 188 Ca 0.03 -0.69 -0.02 0.00 -0.39 0.00 0.00 64.86 63.78 3hkc h ILE 188 Cb 0.49 1.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.64 3hkc h ILE 188 CO -0.33 0.19 -0.21 -0.07 -0.69 0.00 0.00 178.15 177.04 3hkc h LEU 189 N 0.00 -0.50 0.03 1.44 3.38 -0.21 -3.18 115.31 116.27 3hkc h LEU 189 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hkc h LEU 189 Cb 0.38 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hkc h LEU 189 CO 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 178.44 178.29 3hkc h THR 190 N -0.81 0.00 -0.60 0.22 1.03 -0.52 -2.73 112.91 109.50 3hkc h THR 190 Ca -0.06 0.00 0.17 0.00 -0.01 0.00 0.00 66.41 66.51 3hkc h THR 190 Cb 0.45 0.00 -0.02 0.00 -1.07 0.00 0.00 68.15 67.51 3hkc h THR 190 CO 0.10 0.00 0.56 1.07 -0.01 0.00 0.00 175.52 177.24 3hkc n THR 191 N -2.25 0.00 -0.05 0.00 5.66 -0.66 0.83 114.28 117.81 3hkc n THR 191 Ca -0.01 0.58 -0.08 0.00 -3.05 0.00 0.00 64.05 61.50 3hkc n THR 191 Cb 0.02 -1.01 -0.07 0.00 -1.55 0.00 0.00 70.33 67.71 3hkc n THR 191 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 3hkc h HIS 192 N 0.00 -0.01 -0.54 1.09 6.17 -1.46 -2.82 115.15 117.58 3hkc h HIS 192 Ca 0.28 -0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.30 3hkc h HIS 192 Cb 1.41 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.32 3hkc h HIS 192 CO 0.00 0.54 0.09 1.79 0.71 0.00 0.00 177.93 181.06 3hkc h THR 193 N -0.99 1.24 0.00 6.26 1.35 0.43 -3.27 112.91 117.93 3hkc h THR 193 Ca -0.00 -0.90 -0.14 0.00 -0.55 0.00 0.00 66.41 64.81 3hkc h THR 193 Cb 0.56 0.72 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 3hkc h THR 193 CO 0.00 0.33 -0.68 0.00 -0.25 0.00 0.00 175.52 174.92 3hkc h THR 194 N 0.82 1.30 0.00 6.82 1.03 -0.51 -3.34 112.91 119.03 3hkc h THR 194 Ca 0.17 -2.48 -0.10 0.00 -0.01 0.00 0.00 66.41 63.99 3hkc h THR 194 Cb 0.36 2.41 -0.01 0.00 -1.07 0.00 0.00 68.15 69.83 3hkc h THR 194 CO 0.01 0.66 -0.48 0.17 -0.01 0.00 0.00 175.52 175.87 3hkc h LEU 195 N 0.00 0.00 -3.04 0.00 -0.00 -1.55 -2.95 115.31 107.77 3hkc h LEU 195 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3hkc h LEU 195 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 3hkc h LEU 195 CO 0.09 0.48 0.00 -1.84 -0.00 0.00 0.00 178.44 177.17 3hkc n GLU 196 N -3.80 3.69 0.00 0.17 0.28 -1.25 -3.93 120.64 115.80 3hkc n GLU 196 Ca -0.01 -2.81 0.00 0.00 -0.16 0.00 0.00 57.16 54.18 3hkc n GLU 196 Cb 0.52 -1.89 0.00 0.00 1.43 0.00 0.00 31.44 31.50 3hkc n GLU 196 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3hkc n HIS 197 N 1.12 0.00 -4.29 -1.84 8.25 -1.12 -5.05 115.22 112.29 3hkc n HIS 197 Ca 0.25 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.47 3hkc n HIS 197 Cb 0.88 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.91 3hkc n HIS 197 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hkc s SER 198 N -0.24 4.47 -0.16 0.41 0.15 -1.22 -4.77 113.70 112.33 3hkc s SER 198 Ca 0.01 -0.63 -0.13 0.00 0.70 0.00 0.00 55.95 55.90 3hkc s SER 198 Cb 0.01 -0.81 -0.07 0.00 -1.71 0.00 0.00 66.02 63.44 3hkc s SER 198 CO 0.01 0.03 -0.27 0.47 1.20 0.00 0.00 173.24 174.68 3hkc n ASP 199 N -0.66 1.65 -4.01 5.45 9.92 0.25 -4.94 116.55 124.20 3hkc n ASP 199 Ca -0.07 0.28 -0.14 0.00 -0.53 0.00 0.00 54.79 54.32 3hkc n ASP 199 Cb 0.58 -0.64 -0.13 0.00 -0.64 0.00 0.00 41.12 40.29 3hkc n ASP 199 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hkc s ALA 201 N -0.82 0.78 -0.52 0.00 0.00 -1.19 -1.73 121.76 118.28 3hkc s ALA 201 Ca -0.05 -0.43 -0.21 0.00 0.00 0.00 0.00 51.96 51.28 3hkc s ALA 201 Cb -0.06 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.10 3hkc s ALA 201 CO 0.00 -0.94 0.74 -0.06 0.00 0.00 0.00 175.76 175.50 3hkc s PHE 202 N 1.95 2.96 0.42 0.00 2.99 0.21 -3.78 117.98 122.74 3hkc s PHE 202 Ca 0.02 -0.29 -0.22 0.00 0.00 0.00 0.00 56.93 56.44 3hkc s PHE 202 Cb -0.15 -3.72 -0.11 0.00 0.00 0.00 0.00 43.02 39.05 3hkc s PHE 202 CO -0.07 -1.13 0.96 -1.64 -0.00 0.00 0.00 175.22 173.34 3hkc s MET 203 N 3.13 4.22 -0.21 0.44 -1.94 -1.26 -1.80 119.30 121.89 3hkc s MET 203 Ca 0.22 1.17 -0.02 0.00 -1.71 0.00 0.00 55.69 55.35 3hkc s MET 203 Cb -0.16 -2.24 0.06 0.00 2.01 0.00 0.00 34.83 34.50 3hkc s MET 203 CO 0.15 -0.04 0.01 0.08 -0.01 0.00 0.00 175.02 175.21 3hkc s VAL 204 N -2.09 0.83 -0.42 -6.03 1.01 0.11 -4.79 120.40 109.02 3hkc s VAL 204 Ca 0.61 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 3hkc s VAL 204 Cb -0.11 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3hkc s VAL 204 CO 0.15 -0.19 1.14 -0.62 0.00 0.00 0.00 175.10 175.59 3hkc s ASP 205 N 1.72 6.71 0.18 3.32 2.15 -0.13 -1.12 116.67 129.50 3hkc s ASP 205 Ca -0.02 0.71 -0.15 0.00 0.43 0.00 0.00 52.55 53.52 3hkc s ASP 205 Cb -0.18 -2.55 0.16 0.00 -0.30 0.00 0.00 42.92 40.06 3hkc s ASP 205 CO -0.08 -1.14 1.68 0.78 -0.17 0.00 0.00 175.17 176.25 3hkc h ASN 206 N 8.95 -0.23 -0.41 -0.34 -0.26 -1.59 -0.28 115.58 121.42 3hkc h ASN 206 Ca -0.23 0.11 0.05 0.00 -0.56 0.00 0.00 56.30 55.68 3hkc h ASN 206 Cb 1.06 0.21 -0.08 0.00 -1.06 0.00 0.00 38.32 38.46 3hkc h ASN 206 CO 1.09 -0.08 -0.52 -0.08 -1.06 0.00 0.00 177.43 176.79 3hkc h GLU 207 N 0.09 -0.33 -0.87 0.81 4.81 -1.89 0.07 114.58 117.27 3hkc h GLU 207 Ca 0.23 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.67 3hkc h GLU 207 Cb 0.35 0.08 -0.16 0.00 0.63 0.00 0.00 28.75 29.64 3hkc h GLU 207 CO -0.40 -0.22 -0.16 0.00 -0.73 0.00 0.00 179.01 177.50 3hkc h ALA 208 N -0.11 0.68 -0.12 2.92 0.00 -1.39 0.45 119.26 121.68 3hkc h ALA 208 Ca 0.07 0.33 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 3hkc h ALA 208 Cb 0.54 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hkc h ALA 208 CO -0.57 -0.42 -0.49 0.82 0.00 0.00 0.00 179.25 178.59 3hkc h ILE 209 N 0.01 1.33 0.00 0.00 1.08 -0.49 -1.73 117.51 117.72 3hkc h ILE 209 Ca 0.44 -1.71 -0.11 0.00 -0.39 0.00 0.00 64.86 63.09 3hkc h ILE 209 Cb 0.73 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 36.23 3hkc h ILE 209 CO -0.87 0.51 -0.54 0.22 -0.69 0.00 0.00 178.15 176.78 3hkc h TYR 210 N 0.26 0.00 0.01 1.37 5.03 0.16 -2.42 116.97 121.38 3hkc h TYR 210 Ca 0.01 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 3hkc h TYR 210 Cb 0.95 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.23 3hkc h TYR 210 CO 0.02 0.54 -0.01 -0.44 -1.32 0.00 0.00 178.16 176.96 3hkc h ASP 211 N 0.00 -0.01 -0.97 -2.11 3.45 0.26 -3.07 116.42 113.97 3hkc h ASP 211 Ca -0.01 -0.26 0.13 0.00 0.43 0.00 0.00 57.03 57.32 3hkc h ASP 211 Cb 1.10 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 39.79 3hkc h ASP 211 CO 0.07 0.25 0.59 0.40 -1.57 0.00 0.00 179.24 178.99 3hkc h ILE 212 N -0.28 0.88 0.00 0.35 5.03 -1.20 0.21 117.51 122.50 3hkc h ILE 212 Ca -0.00 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 64.43 3hkc h ILE 212 Cb 0.27 -0.12 0.00 0.00 -3.03 0.00 0.00 36.82 33.95 3hkc h ILE 212 CO 0.00 0.17 0.00 0.00 -0.68 0.00 0.00 178.15 177.64 3hkc n ARG 214 N -1.17 1.74 -0.08 0.00 1.74 0.63 -1.52 116.66 118.01 3hkc n ARG 214 Ca 0.10 0.02 -0.17 0.00 -0.77 0.00 0.00 57.85 57.03 3hkc n ARG 214 Cb 0.10 -1.14 -0.12 0.00 -1.02 0.00 0.00 32.46 30.28 3hkc n ARG 214 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3hkc h ARG 215 N 0.00 0.00 0.02 5.56 2.43 -1.12 -3.33 114.38 117.94 3hkc h ARG 215 Ca -0.15 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.68 3hkc h ARG 215 Cb 1.30 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 3hkc h ARG 215 CO -0.01 0.96 -2.05 0.09 -1.51 0.00 0.00 179.97 177.45 3hkc n ASN 216 N -4.55 0.95 -0.01 -3.80 3.02 0.86 -4.28 115.26 107.46 3hkc n ASN 216 Ca -0.18 0.19 0.10 0.00 -0.03 0.00 0.00 54.58 54.66 3hkc n ASN 216 Cb 0.54 0.08 -0.15 0.00 -0.61 0.00 0.00 39.78 39.64 3hkc n ASN 216 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hkc n LEU 217 N -3.06 0.21 -0.09 3.41 4.32 -1.10 -4.22 117.00 116.47 3hkc n LEU 217 Ca -0.28 -0.11 -0.01 0.00 -0.02 0.00 0.00 56.01 55.59 3hkc n LEU 217 Cb 1.08 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.87 3hkc n LEU 217 CO 0.42 0.05 -0.01 -0.67 -1.22 0.00 0.00 177.39 175.96 3hkc n ASP 218 N -2.06 -3.19 -4.52 -1.43 -0.08 -1.15 -4.87 116.55 99.24 3hkc n ASP 218 Ca -0.02 0.03 -0.43 0.00 -1.51 0.00 0.00 54.79 52.86 3hkc n ASP 218 Cb 0.49 -0.79 -0.05 0.00 2.34 0.00 0.00 41.12 43.11 3hkc n ASP 218 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3hkc s ILE 219 N -2.03 4.63 0.20 5.18 -1.09 -0.58 -4.94 121.20 122.58 3hkc s ILE 219 Ca 0.00 0.22 -0.21 0.00 -2.23 0.00 0.00 60.65 58.43 3hkc s ILE 219 Cb 0.00 -4.37 0.15 0.00 -1.58 0.00 0.00 42.46 36.66 3hkc s ILE 219 CO 0.00 -0.83 1.57 -0.08 -1.23 0.00 0.00 174.94 174.37 3hkc h GLU 220 N 9.06 -0.10 -2.46 2.79 4.81 -1.93 -3.30 114.58 123.45 3hkc h GLU 220 Ca -0.26 0.01 -0.52 0.00 -0.13 0.00 0.00 59.36 58.46 3hkc h GLU 220 Cb 1.08 0.02 -0.37 0.00 0.63 0.00 0.00 28.75 30.11 3hkc h GLU 220 CO 0.99 -0.06 -0.80 1.03 -0.73 0.00 0.00 179.01 179.44 3hkc s ARG 221 N -5.93 0.51 0.48 1.92 0.52 -1.26 -5.02 118.95 110.17 3hkc s ARG 221 Ca -0.14 -1.08 -0.23 0.00 -0.52 0.00 0.00 55.73 53.76 3hkc s ARG 221 Cb 0.17 -1.14 -0.07 0.00 0.52 0.00 0.00 34.95 34.44 3hkc s ARG 221 CO 0.69 -1.18 1.22 -1.25 0.02 0.00 0.00 175.30 174.81 3hkc s PRO 222 N 1.33 3.58 0.93 3.54 0.04 -1.24 -5.04 135.00 138.14 3hkc s PRO 222 Ca 0.16 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 62.96 3hkc s PRO 222 Cb -0.20 -2.36 0.17 0.00 0.04 0.00 0.00 34.50 32.15 3hkc s PRO 222 CO -0.06 -0.74 1.28 0.99 0.04 0.00 0.00 177.00 178.52 3hkc s THR 223 N -1.48 1.99 -0.00 1.26 2.01 -1.26 -4.89 115.64 113.27 3hkc s THR 223 Ca 0.66 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.40 3hkc s THR 223 Cb -0.32 -2.98 -0.19 0.00 0.01 0.00 0.00 72.50 69.02 3hkc s THR 223 CO 0.38 0.00 1.34 1.88 -0.69 0.00 0.00 174.62 177.53 3hkc h TYR 224 N -1.54 -0.01 0.00 4.92 0.99 -1.99 -2.04 116.97 117.30 3hkc h TYR 224 Ca -0.45 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.28 3hkc h TYR 224 Cb 1.26 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.99 3hkc h TYR 224 CO -0.83 0.40 0.00 0.25 -0.00 0.00 0.00 178.16 177.98 3hkc n THR 225 N -4.90 1.04 0.12 -2.88 -2.24 -1.26 0.52 114.28 104.69 3hkc n THR 225 Ca -0.08 0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.89 3hkc n THR 225 Cb 0.22 -1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 67.34 3hkc n THR 225 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3hkc h ASN 226 N 0.00 -0.34 -0.46 3.42 -0.26 -1.87 -3.26 115.58 112.82 3hkc h ASN 226 Ca 0.00 -0.08 0.06 0.00 -0.56 0.00 0.00 56.30 55.72 3hkc h ASN 226 Cb 0.25 0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 37.54 3hkc h ASN 226 CO 0.00 0.13 0.17 -0.07 -1.06 0.00 0.00 177.43 176.61 3hkc h LEU 227 N -1.06 0.19 -0.53 1.61 4.07 -0.39 -3.10 115.31 116.10 3hkc h LEU 227 Ca -0.04 0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.07 3hkc h LEU 227 Cb 0.40 0.03 -0.08 0.00 1.08 0.00 0.00 40.66 42.09 3hkc h LEU 227 CO 0.07 0.14 0.07 0.78 -1.08 0.00 0.00 178.44 178.42 3hkc h ASN 228 N 0.35 -0.08 -0.96 -0.43 2.35 -0.08 -0.95 115.58 115.78 3hkc h ASN 228 Ca 0.22 0.11 0.19 0.00 -0.55 0.00 0.00 56.30 56.26 3hkc h ASN 228 Cb 0.21 0.17 -0.09 0.00 0.05 0.00 0.00 38.32 38.66 3hkc h ASN 228 CO -0.21 -0.02 0.61 0.03 -1.65 0.00 0.00 177.43 176.19 3hkc h ARG 229 N 0.20 0.62 0.03 0.81 3.08 -1.57 0.12 114.38 117.66 3hkc h ARG 229 Ca 0.27 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 3hkc h ARG 229 Cb 0.40 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3hkc h ARG 229 CO -0.39 0.41 -0.01 1.25 -1.07 0.00 0.00 179.97 180.16 3hkc h LEU 230 N 0.64 -0.03 -0.38 3.04 7.12 -1.28 -2.38 115.31 122.03 3hkc h LEU 230 Ca 0.52 -0.55 0.08 0.00 0.13 0.00 0.00 57.88 58.06 3hkc h LEU 230 Cb 0.97 0.01 -0.08 0.00 -0.53 0.00 0.00 40.66 41.03 3hkc h LEU 230 CO -0.28 0.54 -0.14 0.40 -0.13 0.00 0.00 178.44 178.83 3hkc h ILE 231 N -0.63 0.52 -0.25 4.05 2.04 -0.97 -2.50 117.51 119.77 3hkc h ILE 231 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3hkc h ILE 231 Cb 0.58 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3hkc h ILE 231 CO 0.01 0.00 -0.15 0.61 0.00 0.00 0.00 178.15 178.62 3hkc n GLY 232 N -1.34 -1.94 0.28 5.37 0.00 0.38 0.66 105.19 108.61 3hkc n GLY 232 Ca 0.02 0.54 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 3hkc n GLY 232 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hkc h GLN 233 N 0.00 -0.04 0.13 1.61 5.75 -1.00 0.06 115.11 121.63 3hkc h GLN 233 Ca 0.04 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3hkc h GLN 233 Cb 0.10 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.66 3hkc h GLN 233 CO -0.23 -0.02 -0.06 0.82 -2.65 0.00 0.00 178.83 176.68 3hkc h ILE 234 N -0.04 1.01 -0.67 2.39 2.04 0.53 0.77 117.51 123.53 3hkc h ILE 234 Ca 0.31 -0.55 0.14 0.00 1.00 0.00 0.00 64.86 65.76 3hkc h ILE 234 Cb 0.52 1.35 -0.10 0.00 -0.74 0.00 0.00 36.82 37.85 3hkc h ILE 234 CO -0.72 0.13 0.11 0.58 0.00 0.00 0.00 178.15 178.25 3hkc h VAL 235 N -0.43 0.53 -0.08 1.67 2.07 -1.10 0.16 116.25 119.07 3hkc h VAL 235 Ca -0.02 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3hkc h VAL 235 Cb 0.35 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3hkc h VAL 235 CO 0.03 0.04 -0.04 -1.28 0.02 0.00 0.00 177.57 176.33 3hkc h SER 236 N 0.22 0.11 1.00 0.57 0.87 -0.61 0.71 113.55 116.41 3hkc h SER 236 Ca 0.36 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.76 3hkc h SER 236 Cb 0.59 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 3hkc h SER 236 CO -0.49 0.17 -0.74 0.28 -0.53 0.00 0.00 176.83 175.52 3hkc h SER 237 N 0.12 0.00 0.18 6.23 0.02 0.11 -1.36 113.55 118.84 3hkc h SER 237 Ca 0.03 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.72 3hkc h SER 237 Cb 0.16 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.72 3hkc h SER 237 CO 0.01 0.74 -1.15 0.40 -1.14 0.00 0.00 176.83 175.69 3hkc h ILE 238 N 0.00 1.36 0.00 3.27 2.04 -0.68 -3.33 117.51 120.17 3hkc h ILE 238 Ca -0.01 -2.58 -0.11 0.00 1.00 0.00 0.00 64.86 63.16 3hkc h ILE 238 Cb 1.44 3.08 -0.02 0.00 -0.74 0.00 0.00 36.82 40.59 3hkc h ILE 238 CO 0.10 0.76 -0.51 0.71 0.00 0.00 0.00 178.15 179.20 3hkc h THR 239 N -0.16 1.30 -0.46 -0.27 1.35 -0.97 -3.33 112.91 110.37 3hkc h THR 239 Ca -0.21 -1.80 0.06 0.00 -0.55 0.00 0.00 66.41 63.92 3hkc h THR 239 Cb 1.87 1.99 -0.07 0.00 -1.73 0.00 0.00 68.15 70.20 3hkc h THR 239 CO 0.19 0.50 -0.20 0.00 -0.25 0.00 0.00 175.52 175.76 3hkc n ALA 240 N -2.41 -0.11 -0.31 6.62 0.00 -0.51 -0.49 120.51 123.29 3hkc n ALA 240 Ca -0.01 0.44 0.14 0.00 0.00 0.00 0.00 53.44 54.02 3hkc n ALA 240 Cb 0.54 -0.17 0.28 0.00 0.00 0.00 0.00 19.45 20.10 3hkc n ALA 240 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hkc n SER 241 N -4.66 -0.07 -0.00 0.00 7.64 -1.25 -2.17 113.62 113.11 3hkc n SER 241 Ca 0.04 1.51 0.08 0.00 1.01 0.00 0.00 58.87 61.51 3hkc n SER 241 Cb 0.17 -0.56 -0.12 0.00 -1.01 0.00 0.00 64.21 62.69 3hkc n SER 241 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hkc n LEU 242 N -5.28 0.33 -0.03 -3.43 -0.00 0.36 -2.35 117.00 106.60 3hkc n LEU 242 Ca 0.22 -0.21 -0.15 0.00 -0.00 0.00 0.00 56.01 55.87 3hkc n LEU 242 Cb 0.72 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 44.02 3hkc n LEU 242 CO -0.06 0.08 0.39 0.03 -0.00 0.00 0.00 177.39 177.83 3hkc h ARG 243 N 0.00 0.13 0.00 1.47 3.08 -1.13 -3.38 114.38 114.54 3hkc h ARG 243 Ca 0.00 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3hkc h ARG 243 Cb 0.63 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 3hkc h ARG 243 CO 0.00 0.93 -0.09 0.74 -1.07 0.00 0.00 179.97 180.48 3hkc h PHE 244 N -0.59 0.00 -0.51 3.04 -1.00 -1.65 -2.74 116.94 113.49 3hkc h PHE 244 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3hkc h PHE 244 Cb 1.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.57 3hkc h PHE 244 CO 0.20 0.99 0.00 -3.47 -1.61 0.00 0.00 178.31 174.42 3hkc n ASP 245 N -4.60 -0.98 0.00 2.17 2.03 -0.99 -4.67 116.55 109.50 3hkc n ASP 245 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 3hkc n ASP 245 Cb 0.47 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 3hkc n ASP 245 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hkc n GLY 246 N 1.53 -0.20 0.99 0.27 0.00 -1.18 -5.02 105.19 101.58 3hkc n GLY 246 Ca 0.00 0.77 0.03 0.00 0.00 0.00 0.00 46.02 46.81 3hkc n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkc n ALA 247 N 0.00 -1.56 -1.86 4.61 0.00 -1.26 -4.81 120.51 115.63 3hkc n ALA 247 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3hkc n ALA 247 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3hkc n ALA 247 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hkc n LEU 248 N -2.78 -0.53 -2.13 0.00 -0.00 -1.26 -4.11 117.00 106.19 3hkc n LEU 248 Ca -0.01 0.86 -0.13 0.00 -0.00 0.00 0.00 56.01 56.73 3hkc n LEU 248 Cb 0.17 -1.31 0.04 0.00 -0.00 0.00 0.00 43.42 42.33 3hkc n LEU 248 CO 0.01 -1.45 0.12 0.59 -0.00 0.00 0.00 177.39 176.65 3hkc n ASN 249 N 1.99 -4.36 0.23 1.96 5.03 -1.26 -4.89 115.26 113.96 3hkc n ASN 249 Ca 0.00 -0.27 0.11 0.00 0.87 0.00 0.00 54.58 55.28 3hkc n ASN 249 Cb 0.00 -2.97 0.47 0.00 -1.02 0.00 0.00 39.78 36.26 3hkc n ASN 249 CO 0.00 0.00 0.00 1.62 -1.83 0.00 0.00 177.26 177.05 3hkc h VAL 250 N -1.38 0.47 -2.94 2.41 3.04 -1.83 -3.35 116.25 112.66 3hkc h VAL 250 Ca -0.31 -1.06 -0.05 0.00 -1.01 0.00 0.00 66.70 64.28 3hkc h VAL 250 Cb 1.20 1.75 -0.14 0.00 -2.01 0.00 0.00 31.29 32.09 3hkc h VAL 250 CO 0.31 0.19 0.07 1.51 -1.01 0.00 0.00 177.57 178.64 3hkc s ASP 251 N -6.13 -0.44 0.37 3.17 1.47 -1.26 -4.51 116.67 109.34 3hkc s ASP 251 Ca 0.01 0.04 0.08 0.00 1.18 0.00 0.00 52.55 53.85 3hkc s ASP 251 Cb 0.10 0.52 0.80 0.00 -0.34 0.00 0.00 42.92 44.00 3hkc s ASP 251 CO 0.63 -0.82 1.94 -0.07 0.68 0.00 0.00 175.17 177.53 3hkc h LEU 252 N 2.47 0.61 -0.73 2.11 3.38 -1.97 -1.93 115.31 119.25 3hkc h LEU 252 Ca -0.32 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3hkc h LEU 252 Cb 1.25 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 3hkc h LEU 252 CO 0.41 0.37 0.46 0.74 0.09 0.00 0.00 178.44 180.52 3hkc h THR 253 N 0.69 1.10 -0.31 0.22 2.02 -1.98 -1.92 112.91 112.73 3hkc h THR 253 Ca 0.34 -0.31 0.09 0.00 0.77 0.00 0.00 66.41 67.30 3hkc h THR 253 Cb 0.42 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3hkc h THR 253 CO -0.12 0.16 0.45 -0.08 0.37 0.00 0.00 175.52 176.30 3hkc h GLU 254 N 0.90 0.00 -0.23 6.66 4.81 -1.74 -2.00 114.58 122.98 3hkc h GLU 254 Ca 0.30 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 3hkc h GLU 254 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3hkc h GLU 254 CO -0.11 0.00 0.09 0.74 -0.73 0.00 0.00 179.01 178.99 3hkc h PHE 255 N 0.00 0.36 -0.03 0.92 0.04 -1.46 -2.27 116.94 114.50 3hkc h PHE 255 Ca 0.15 -0.03 -0.26 0.00 2.80 0.00 0.00 57.97 60.63 3hkc h PHE 255 Cb 1.04 -0.11 0.02 0.00 2.20 0.00 0.00 35.95 39.10 3hkc h PHE 255 CO 0.00 0.40 -0.99 -0.56 -0.60 0.00 0.00 178.31 176.56 3hkc h GLN 256 N 0.22 0.71 -0.99 1.51 3.07 -1.50 -3.03 115.11 115.10 3hkc h GLN 256 Ca 0.08 -0.73 0.25 0.00 0.09 0.00 0.00 58.65 58.34 3hkc h GLN 256 Cb 0.20 0.20 -0.07 0.00 0.08 0.00 0.00 27.48 27.88 3hkc h GLN 256 CO -0.00 1.31 0.66 1.15 0.09 0.00 0.00 178.83 182.03 3hkc h THR 257 N 0.42 0.57 -0.01 1.86 2.02 -1.42 0.27 112.91 116.62 3hkc h THR 257 Ca -0.11 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3hkc h THR 257 Cb 1.64 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3hkc h THR 257 CO 0.20 0.06 -0.43 0.59 0.37 0.00 0.00 175.52 176.30 3hkc n ASN 258 N -4.50 1.69 0.00 4.18 5.03 -0.86 -4.66 115.26 116.14 3hkc n ASN 258 Ca 0.23 -1.35 0.00 0.00 0.87 0.00 0.00 54.58 54.33 3hkc n ASN 258 Cb 0.86 0.53 0.00 0.00 -1.02 0.00 0.00 39.78 40.15 3hkc n ASN 258 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3hkc n LEU 259 N -0.21 0.69 -4.11 3.41 4.77 -0.85 -4.61 117.00 116.08 3hkc n LEU 259 Ca 0.07 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.70 3hkc n LEU 259 Cb 0.38 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 3hkc n LEU 259 CO 0.25 0.11 -0.25 0.68 -1.33 0.00 0.00 177.39 176.85 3hkc s VAL 260 N -1.66 2.99 -0.69 4.08 -7.23 0.03 -4.66 120.40 113.26 3hkc s VAL 260 Ca 0.00 -1.95 0.24 0.00 -1.81 0.00 0.00 61.98 58.46 3hkc s VAL 260 Cb 0.00 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.96 3hkc s VAL 260 CO 0.00 -0.53 1.29 -0.81 -0.31 0.00 0.00 175.10 174.74 3hkc n PRO 261 N 4.53 0.25 -3.89 4.82 -0.05 -1.26 -4.63 135.00 134.76 3hkc n PRO 261 Ca -0.04 0.06 -0.29 0.00 -0.05 0.00 0.00 63.50 63.18 3hkc n PRO 261 Cb 0.42 -1.65 -0.16 0.00 -0.05 0.00 0.00 33.50 32.06 3hkc n PRO 261 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 3hkc s TYR 262 N -3.15 1.91 0.43 0.54 1.51 -1.26 -5.02 117.35 112.31 3hkc s TYR 262 Ca 0.06 -1.34 0.37 0.00 -1.01 0.00 0.00 57.07 55.15 3hkc s TYR 262 Cb 0.14 -1.39 1.37 0.00 -0.11 0.00 0.00 41.96 41.97 3hkc s TYR 262 CO 0.73 -0.68 1.29 -2.30 -1.11 0.00 0.00 175.55 173.48 3hkc n PRO 263 N 4.81 -0.01 -0.06 -1.71 -0.02 -1.26 -1.25 135.00 135.50 3hkc n PRO 263 Ca -0.12 0.95 -0.04 0.00 -2.02 0.00 0.00 63.50 62.27 3hkc n PRO 263 Cb 0.46 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 3hkc n PRO 263 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hkc h ARG 264 N 0.00 0.00 -5.09 -0.52 3.08 -1.95 -3.41 114.38 106.50 3hkc h ARG 264 Ca 0.76 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.80 3hkc h ARG 264 Cb 2.86 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.91 3hkc h ARG 264 CO -0.14 0.27 0.26 -0.89 -1.07 0.00 0.00 179.97 178.40 3hkc n ILE 265 N -4.73 0.00 0.07 2.04 -0.00 -0.38 -4.67 119.36 111.70 3hkc n ILE 265 Ca -0.03 -0.17 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 3hkc n ILE 265 Cb 0.14 -1.54 -0.05 0.00 -0.00 0.00 0.00 39.64 38.19 3hkc n ILE 265 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 3hkc h HIS 266 N 11.25 0.00 -3.07 1.39 3.86 -1.79 -3.42 115.15 123.36 3hkc h HIS 266 Ca 0.00 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.53 3hkc h HIS 266 Cb 1.00 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.29 3hkc h HIS 266 CO 1.15 0.58 0.15 -0.06 0.86 0.00 0.00 177.93 180.62 3hkc s PHE 267 N -2.92 2.98 0.58 2.45 0.40 -1.26 -3.19 117.98 117.03 3hkc s PHE 267 Ca -0.00 -0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 55.63 3hkc s PHE 267 Cb 0.08 -3.81 0.02 0.00 0.51 0.00 0.00 43.02 39.82 3hkc s PHE 267 CO 0.79 -1.21 0.87 -1.25 0.70 0.00 0.00 175.22 175.12 3hkc s PRO 268 N 2.87 2.76 -0.24 0.24 0.05 -1.25 -4.68 135.00 134.76 3hkc s PRO 268 Ca 0.15 -0.23 -0.03 0.00 0.05 0.00 0.00 61.00 60.94 3hkc s PRO 268 Cb -0.20 -2.33 0.01 0.00 0.05 0.00 0.00 34.50 32.03 3hkc s PRO 268 CO 0.10 -0.73 -0.05 -1.17 0.05 0.00 0.00 177.00 175.20 3hkc s LEU 269 N -4.94 3.06 0.30 -3.56 0.20 0.22 -4.26 118.68 109.69 3hkc s LEU 269 Ca 0.55 -0.64 0.01 0.00 0.69 0.00 0.00 54.13 54.74 3hkc s LEU 269 Cb -0.10 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.92 3hkc s LEU 269 CO 0.43 -0.08 0.48 0.00 -0.29 0.00 0.00 176.35 176.89 3hkc s ALA 270 N 1.41 3.77 -0.29 5.97 0.00 -1.26 -1.89 121.76 129.47 3hkc s ALA 270 Ca 0.03 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.07 3hkc s ALA 270 Cb -0.15 -2.00 0.19 0.00 0.00 0.00 0.00 23.12 21.16 3hkc s ALA 270 CO -0.04 0.12 0.56 0.99 0.00 0.00 0.00 175.76 177.39 3hkc s THR 271 N -2.16 -0.94 0.66 0.00 2.01 -1.17 -2.61 115.64 111.43 3hkc s THR 271 Ca 0.38 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 3hkc s THR 271 Cb -0.10 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 3hkc s THR 271 CO 0.33 -0.04 1.05 -0.47 -0.69 0.00 0.00 174.62 174.80 3hkc s TYR 272 N 2.79 3.16 0.00 4.92 5.04 -1.25 -4.18 117.35 127.83 3hkc s TYR 272 Ca 0.10 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 3hkc s TYR 272 Cb -0.11 -2.88 0.00 0.00 0.35 0.00 0.00 41.96 39.32 3hkc s TYR 272 CO -0.26 -1.10 0.00 0.00 -1.34 0.00 0.00 175.55 172.84 3hkc n ALA 273 N -2.78 0.00 -2.51 3.97 0.00 -0.90 -4.85 120.51 113.43 3hkc n ALA 273 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 3hkc n ALA 273 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 3hkc n ALA 273 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hkc s PRO 274 N 0.00 3.36 -0.32 0.00 0.05 -1.26 -4.90 135.00 131.94 3hkc s PRO 274 Ca 0.00 -0.72 -0.03 0.00 0.05 0.00 0.00 61.00 60.30 3hkc s PRO 274 Cb 0.00 -3.85 0.05 0.00 0.05 0.00 0.00 34.50 30.75 3hkc s PRO 274 CO 0.00 -0.53 0.04 0.14 0.05 0.00 0.00 177.00 176.69 3hkc s VAL 275 N 1.74 3.19 -0.06 -0.36 -7.23 -1.26 -5.03 120.40 111.40 3hkc s VAL 275 Ca 0.06 -1.38 -0.08 0.00 -1.81 0.00 0.00 61.98 58.78 3hkc s VAL 275 Cb -0.18 -2.86 0.02 0.00 0.56 0.00 0.00 36.38 33.92 3hkc s VAL 275 CO 0.11 -0.17 0.20 -0.51 -0.31 0.00 0.00 175.10 174.42 3hkc s ILE 276 N 1.28 0.02 0.03 -0.62 1.10 -1.26 -4.83 121.20 116.91 3hkc s ILE 276 Ca -0.03 -0.15 -0.30 0.00 -0.51 0.00 0.00 60.65 59.65 3hkc s ILE 276 Cb -0.20 -0.34 -0.04 0.00 0.15 0.00 0.00 42.46 42.03 3hkc s ILE 276 CO -0.00 -0.08 1.01 -0.94 -2.11 0.00 0.00 174.94 172.81 3hkc s SER 277 N -0.25 7.34 0.21 4.50 1.04 -1.26 -1.05 113.70 124.24 3hkc s SER 277 Ca -0.03 1.74 -0.32 0.00 0.48 0.00 0.00 55.95 57.82 3hkc s SER 277 Cb -0.03 -2.57 -0.13 0.00 0.10 0.00 0.00 66.02 63.39 3hkc s SER 277 CO 0.01 -0.26 1.65 0.00 0.98 0.00 0.00 173.24 175.62 3hkc n ALA 278 N 3.71 2.33 0.00 5.32 0.00 -0.50 0.10 120.51 131.47 3hkc n ALA 278 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3hkc n ALA 278 Cb 0.50 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.49 3hkc n ALA 278 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hkc n GLU 279 N 3.48 0.00 0.00 0.00 2.13 -1.26 -4.71 120.64 120.28 3hkc n GLU 279 Ca 0.15 0.00 0.10 0.00 0.66 0.00 0.00 57.16 58.07 3hkc n GLU 279 Cb 0.33 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.97 3hkc n GLU 279 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3hkc n LYS 280 N 0.00 0.23 0.05 5.31 5.02 0.28 -4.62 118.16 124.43 3hkc n LYS 280 Ca 0.00 -0.19 0.01 0.00 -2.02 0.00 0.00 58.31 56.11 3hkc n LYS 280 Cb 0.00 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.58 3hkc n LYS 280 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hkc n ALA 281 N -1.22 0.36 -3.24 7.82 0.00 -1.22 -1.13 120.51 121.88 3hkc n ALA 281 Ca 0.05 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 3hkc n ALA 281 Cb 0.36 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.35 3hkc n ALA 281 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hkc n TYR 282 N -1.40 1.63 0.00 0.00 4.01 -1.26 -4.87 117.16 115.27 3hkc n TYR 282 Ca -0.00 -3.86 0.00 0.00 -0.16 0.00 0.00 57.90 53.88 3hkc n TYR 282 Cb 0.37 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 3hkc n TYR 282 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3hkc n HIS 283 N 0.85 0.00 -4.61 -0.72 8.25 -0.29 -5.08 115.22 113.62 3hkc n HIS 283 Ca 0.26 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.41 3hkc n HIS 283 Cb 0.49 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.47 3hkc n HIS 283 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3hkc s GLU 284 N 2.80 1.99 0.98 -0.41 2.12 -1.26 -5.14 118.70 119.78 3hkc s GLU 284 Ca 0.00 -1.03 -0.11 0.00 0.36 0.00 0.00 54.97 54.19 3hkc s GLU 284 Cb 0.00 -2.15 0.18 0.00 0.26 0.00 0.00 34.13 32.42 3hkc s GLU 284 CO 0.00 0.53 1.12 1.14 -0.54 0.00 0.00 175.26 177.50 3hkc s GLN 285 N -1.55 0.50 0.03 4.30 -2.07 -1.26 -5.00 119.66 114.61 3hkc s GLN 285 Ca 0.15 1.37 -0.11 0.00 -1.82 0.00 0.00 55.36 54.95 3hkc s GLN 285 Cb -0.10 -1.68 -0.06 0.00 -1.09 0.00 0.00 33.01 30.08 3hkc s GLN 285 CO 0.06 -2.93 0.38 -0.51 -1.32 0.00 0.00 175.29 170.97 3hkc s LEU 286 N -6.78 4.40 0.16 2.60 1.02 -1.26 -5.06 118.68 113.77 3hkc s LEU 286 Ca 0.67 0.83 -0.29 0.00 0.02 0.00 0.00 54.13 55.37 3hkc s LEU 286 Cb -0.23 -2.75 -0.07 0.00 0.02 0.00 0.00 46.19 43.16 3hkc s LEU 286 CO 0.60 0.25 0.90 -0.94 0.02 0.00 0.00 176.35 177.18 3hkc s SER 287 N -1.43 7.50 0.35 2.29 1.04 -1.26 -4.83 113.70 117.36 3hkc s SER 287 Ca 0.28 1.79 0.23 0.00 0.48 0.00 0.00 55.95 58.72 3hkc s SER 287 Cb -0.15 -2.57 1.24 0.00 0.10 0.00 0.00 66.02 64.65 3hkc s SER 287 CO 0.15 0.08 1.38 0.52 0.98 0.00 0.00 173.24 176.35 3hkc n VAL 288 N 2.09 -0.31 0.20 5.02 0.31 -1.26 0.15 118.33 124.54 3hkc n VAL 288 Ca -0.01 1.70 -0.13 0.00 -0.01 0.00 0.00 64.34 65.88 3hkc n VAL 288 Cb 0.48 -2.77 -0.07 0.00 -0.91 0.00 0.00 33.84 30.57 3hkc n VAL 288 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hkc h ALA 289 N 1.60 -0.55 -0.79 3.52 0.00 -1.93 -3.12 119.26 118.00 3hkc h ALA 289 Ca 0.76 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.51 3hkc h ALA 289 Cb 2.20 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 20.16 3hkc h ALA 289 CO -0.56 -0.62 0.50 0.93 0.00 0.00 0.00 179.25 179.50 3hkc h GLU 290 N -0.91 0.95 -0.10 0.00 5.08 0.11 -0.84 114.58 118.86 3hkc h GLU 290 Ca -0.06 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 3hkc h GLU 290 Cb 0.55 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3hkc h GLU 290 CO 0.09 0.63 -0.55 -0.84 -1.00 0.00 0.00 179.01 177.34 3hkc h ILE 291 N 0.98 1.36 0.45 3.13 3.07 -1.57 -0.20 117.51 124.73 3hkc h ILE 291 Ca 0.32 -1.84 -0.02 0.00 1.55 0.00 0.00 64.86 64.87 3hkc h ILE 291 Cb 0.01 1.88 -0.00 0.00 -0.27 0.00 0.00 36.82 38.44 3hkc h ILE 291 CO -0.11 0.55 -0.25 0.74 -1.05 0.00 0.00 178.15 178.03 3hkc h THR 292 N 0.24 0.48 0.00 0.16 2.02 -1.33 -1.51 112.91 112.97 3hkc h THR 292 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hkc h THR 292 Cb 1.04 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3hkc h THR 292 CO 0.09 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.57 3hkc n ASN 293 N -5.39 0.00 -0.02 4.18 4.13 -0.38 -0.33 115.26 117.45 3hkc n ASN 293 Ca -0.11 -0.49 -0.05 0.00 1.68 0.00 0.00 54.58 55.61 3hkc n ASN 293 Cb 0.29 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.40 3hkc n ASN 293 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hkc n ALA 294 N -0.80 1.71 0.30 5.41 0.00 -0.13 -4.16 120.51 122.85 3hkc n ALA 294 Ca 0.05 -0.81 0.15 0.00 0.00 0.00 0.00 53.44 52.83 3hkc n ALA 294 Cb 0.02 -0.73 0.71 0.00 0.00 0.00 0.00 19.45 19.46 3hkc n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkc s PHE 296 N -3.63 3.50 0.00 0.00 0.40 -1.24 -4.94 117.98 112.07 3hkc s PHE 296 Ca 0.00 -2.13 0.00 0.00 -0.60 0.00 0.00 56.93 54.20 3hkc s PHE 296 Cb 0.09 -3.49 0.00 0.00 0.51 0.00 0.00 43.02 40.13 3hkc s PHE 296 CO 0.39 -0.95 0.00 -1.91 0.70 0.00 0.00 175.22 173.45 3hkc n GLU 297 N 4.30 0.00 -0.15 0.44 4.07 -1.20 -4.96 120.64 123.14 3hkc n GLU 297 Ca 0.01 0.00 0.27 0.00 -0.06 0.00 0.00 57.16 57.39 3hkc n GLU 297 Cb 0.41 0.00 0.55 0.00 -0.06 0.00 0.00 31.44 32.35 3hkc n GLU 297 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 3hkc h PRO 298 N 0.00 0.00 0.00 5.31 0.13 -1.92 0.19 132.00 135.71 3hkc h PRO 298 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 3hkc h PRO 298 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3hkc h PRO 298 CO 0.00 0.00 -0.94 0.00 -0.23 0.00 0.00 178.00 176.83 3hkc h ALA 299 N 0.85 0.45 -0.56 -0.56 0.00 -1.95 -3.09 119.26 114.40 3hkc h ALA 299 Ca 0.43 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hkc h ALA 299 Cb 2.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 20.06 3hkc h ALA 299 CO -0.00 1.16 0.00 0.09 0.00 0.00 0.00 179.25 180.50 3hkc n ASN 300 N -3.43 3.49 -2.69 0.00 3.02 0.63 -4.77 115.26 111.52 3hkc n ASN 300 Ca -0.00 -1.98 -0.03 0.00 -0.03 0.00 0.00 54.58 52.53 3hkc n ASN 300 Cb 0.89 -0.37 0.03 0.00 -0.61 0.00 0.00 39.78 39.71 3hkc n ASN 300 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3hkc n GLN 301 N 1.44 -1.42 0.00 3.52 7.27 -1.06 -3.79 117.38 123.34 3hkc n GLN 301 Ca 0.21 -0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.11 3hkc n GLN 301 Cb 0.57 -0.17 0.00 0.00 2.41 0.00 0.00 30.24 33.06 3hkc n GLN 301 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 3hkc n MET 302 N -1.94 0.00 -3.77 3.69 1.56 -1.07 -4.77 117.12 110.82 3hkc n MET 302 Ca 0.01 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 57.17 3hkc n MET 302 Cb 0.06 -0.12 -0.16 0.00 2.15 0.00 0.00 33.22 35.14 3hkc n MET 302 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 3hkc s VAL 303 N 0.00 0.68 -0.71 1.12 1.01 -1.26 -0.95 120.40 120.28 3hkc s VAL 303 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 3hkc s VAL 303 Cb 0.00 -1.12 -0.14 0.00 0.00 0.00 0.00 36.38 35.11 3hkc s VAL 303 CO 0.00 -0.16 2.52 1.17 0.00 0.00 0.00 175.10 178.63 3hkc n LYS 304 N 5.00 0.56 0.00 2.72 3.00 -1.26 -4.74 118.16 123.44 3hkc n LYS 304 Ca -0.09 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 3hkc n LYS 304 Cb 0.47 -2.46 0.00 0.00 0.00 0.00 0.00 35.03 33.03 3hkc n LYS 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hkc n ASP 306 N 0.00 0.00 -1.31 0.00 2.03 -1.26 -4.97 116.55 111.03 3hkc n ASP 306 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 3hkc n ASP 306 Cb 0.00 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 40.65 3hkc n ASP 306 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3hkc n PRO 307 N 0.00 3.28 0.10 -0.67 -0.04 -1.26 -3.29 135.00 133.12 3hkc n PRO 307 Ca 0.00 -1.96 -0.03 0.00 -0.04 0.00 0.00 63.50 61.47 3hkc n PRO 307 Cb 0.00 -1.90 -0.01 0.00 -0.04 0.00 0.00 33.50 31.55 3hkc n PRO 307 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hkc h ARG 308 N 2.57 0.00 0.11 0.54 3.08 -1.96 -3.36 114.38 115.36 3hkc h ARG 308 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 3hkc h ARG 308 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 3hkc h ARG 308 CO 0.27 0.79 -1.97 -2.39 -1.07 0.00 0.00 179.97 175.61 3hkc n HIS 309 N -3.40 1.20 -2.44 3.04 1.44 -1.21 -4.93 115.22 108.93 3hkc n HIS 309 Ca 0.00 0.28 -0.23 0.00 -2.01 0.00 0.00 57.72 55.75 3hkc n HIS 309 Cb 0.82 -1.17 0.05 0.00 0.12 0.00 0.00 29.99 29.81 3hkc n HIS 309 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3hkc s GLY 310 N -5.53 1.75 0.36 -1.39 0.00 -1.25 -5.05 107.32 96.20 3hkc s GLY 310 Ca -0.20 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.42 3hkc s GLY 310 CO 0.78 -0.78 0.50 0.28 0.00 0.00 0.00 173.10 173.88 3hkc n LYS 311 N -2.61 0.33 -4.42 2.90 4.76 -1.26 -4.79 118.16 113.06 3hkc n LYS 311 Ca 0.08 -1.43 -0.22 0.00 -2.87 0.00 0.00 58.31 53.86 3hkc n LYS 311 Cb 0.60 -0.31 -0.13 0.00 -1.84 0.00 0.00 35.03 33.35 3hkc n LYS 311 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3hkc s TYR 312 N -1.38 1.50 0.00 2.13 1.51 -0.79 -1.62 117.35 118.69 3hkc s TYR 312 Ca 0.34 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.02 3hkc s TYR 312 Cb -0.02 -0.88 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 3hkc s TYR 312 CO 0.22 0.08 0.55 0.00 -1.11 0.00 0.00 175.55 175.30 3hkc n MET 313 N 1.70 0.69 0.00 -0.62 0.00 0.18 -1.40 117.12 117.66 3hkc n MET 313 Ca -0.18 -0.68 0.00 0.00 0.00 0.00 0.00 57.70 56.84 3hkc n MET 313 Cb 0.54 -0.66 0.00 0.00 0.00 0.00 0.00 33.22 33.10 3hkc n MET 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hkc n ALA 314 N -0.13 0.00 -2.66 3.17 0.00 -1.25 -4.88 120.51 114.76 3hkc n ALA 314 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3hkc n ALA 314 Cb 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.68 3hkc n ALA 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkc s LEU 317 N 1.95 3.79 -0.77 0.00 1.43 -0.76 -1.03 118.68 123.29 3hkc s LEU 317 Ca 0.12 0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 3hkc s LEU 317 Cb -0.15 -3.40 0.20 0.00 0.03 0.00 0.00 46.19 42.87 3hkc s LEU 317 CO -0.21 -1.17 0.67 -0.22 0.23 0.00 0.00 176.35 175.65 3hkc s LEU 318 N 4.15 6.18 0.44 1.79 0.20 -1.26 -1.01 118.68 129.17 3hkc s LEU 318 Ca 0.43 -2.83 -0.21 0.00 0.69 0.00 0.00 54.13 52.22 3hkc s LEU 318 Cb -0.08 -2.08 -0.11 0.00 -0.43 0.00 0.00 46.19 43.49 3hkc s LEU 318 CO 0.29 -0.47 0.95 -0.31 -0.29 0.00 0.00 176.35 176.52 3hkc s TYR 319 N -0.04 3.32 -0.03 5.38 1.51 0.77 -1.33 117.35 126.92 3hkc s TYR 319 Ca 0.18 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 57.85 3hkc s TYR 319 Cb -0.13 -2.85 0.03 0.00 -0.11 0.00 0.00 41.96 38.89 3hkc s TYR 319 CO -0.07 -0.13 0.01 1.03 -1.11 0.00 0.00 175.55 175.27 3hkc s ARG 320 N -3.24 0.28 0.00 -0.62 0.52 0.71 -2.38 118.95 114.22 3hkc s ARG 320 Ca 0.62 0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.93 3hkc s ARG 320 Cb -0.09 -0.50 0.00 0.00 0.52 0.00 0.00 34.95 34.88 3hkc s ARG 320 CO 0.14 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.72 3hkc n GLY 321 N 4.27 0.32 3.24 -3.53 0.00 0.11 -1.51 105.19 108.08 3hkc n GLY 321 Ca -0.24 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3hkc n GLY 321 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hkc s ASP 322 N -4.00 5.87 -0.25 1.61 2.15 -0.99 -4.11 116.67 116.95 3hkc s ASP 322 Ca 0.00 -1.99 -0.10 0.00 0.43 0.00 0.00 52.55 50.89 3hkc s ASP 322 Cb 0.00 -2.07 0.10 0.00 -0.30 0.00 0.00 42.92 40.66 3hkc s ASP 322 CO 0.00 -0.71 0.56 -0.69 -0.17 0.00 0.00 175.17 174.16 3hkc s VAL 323 N 1.25 -0.62 -0.08 1.11 1.01 -1.26 -4.81 120.40 117.00 3hkc s VAL 323 Ca 0.07 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 3hkc s VAL 323 Cb -0.26 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3hkc s VAL 323 CO -0.01 0.03 0.39 -0.69 0.00 0.00 0.00 175.10 174.82 3hkc s VAL 324 N 2.45 5.16 0.27 2.92 1.01 -1.26 -5.01 120.40 125.93 3hkc s VAL 324 Ca -0.06 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.71 3hkc s VAL 324 Cb -0.10 -3.72 0.25 0.00 0.00 0.00 0.00 36.38 32.81 3hkc s VAL 324 CO -0.17 0.46 1.76 -0.65 0.00 0.00 0.00 175.10 176.50 3hkc h PRO 325 N 5.81 0.60 -1.23 2.72 0.11 -2.01 -2.84 132.00 135.17 3hkc h PRO 325 Ca -0.46 -0.04 0.36 0.00 0.11 0.00 0.00 66.00 65.97 3hkc h PRO 325 Cb 1.19 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 3hkc h PRO 325 CO 0.69 0.40 1.14 1.17 -0.21 0.00 0.00 178.00 181.19 3hkc n LYS 326 N -4.87 0.01 -0.08 1.05 0.00 -1.26 -0.19 118.16 112.82 3hkc n LYS 326 Ca 0.18 0.91 -0.10 0.00 0.00 0.00 0.00 58.31 59.31 3hkc n LYS 326 Cb 0.47 -2.20 -0.06 0.00 0.00 0.00 0.00 35.03 33.24 3hkc n LYS 326 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3hkc h ASP 327 N 0.00 0.00 -0.90 3.14 3.32 -1.93 -3.27 116.42 116.79 3hkc h ASP 327 Ca 0.59 -0.29 0.31 0.00 0.02 0.00 0.00 57.03 57.65 3hkc h ASP 327 Cb 2.86 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 42.25 3hkc h ASP 327 CO -0.01 0.94 0.24 0.52 -1.72 0.00 0.00 179.24 179.21 3hkc n VAL 328 N -4.60 -0.38 0.06 -1.35 0.31 0.73 0.13 118.33 113.24 3hkc n VAL 328 Ca -0.13 1.90 -0.03 0.00 -0.01 0.00 0.00 64.34 66.08 3hkc n VAL 328 Cb 0.35 -2.91 -0.01 0.00 -0.91 0.00 0.00 33.84 30.36 3hkc n VAL 328 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3hkc h ASN 329 N 0.00 -0.16 0.00 4.52 -0.26 -1.32 0.69 115.58 119.06 3hkc h ASN 329 Ca 0.64 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.39 3hkc h ASN 329 Cb 1.54 0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.84 3hkc h ASN 329 CO -0.77 -0.10 0.15 0.00 -1.06 0.00 0.00 177.43 175.65 3hkc h ALA 330 N -1.82 1.12 0.00 -0.83 0.00 -0.29 0.85 119.26 118.29 3hkc h ALA 330 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hkc h ALA 330 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hkc h ALA 330 CO 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 179.25 179.10 3hkc h ALA 331 N 1.64 0.00 -0.77 0.00 0.00 0.13 -3.23 119.26 117.03 3hkc h ALA 331 Ca 0.00 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.90 3hkc h ALA 331 Cb 0.30 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.98 3hkc h ALA 331 CO 0.00 0.04 -0.20 0.82 0.00 0.00 0.00 179.25 179.90 3hkc h ILE 332 N -1.00 0.22 -0.83 0.00 2.04 -0.01 -2.20 117.51 115.73 3hkc h ILE 332 Ca -0.01 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.01 3hkc h ILE 332 Cb 0.28 0.22 -0.15 0.00 -0.74 0.00 0.00 36.82 36.43 3hkc h ILE 332 CO -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 178.15 177.89 3hkc h ALA 333 N 1.74 0.41 0.00 1.87 0.00 -0.96 -0.61 119.26 121.70 3hkc h ALA 333 Ca 0.36 0.30 -0.08 0.00 0.00 0.00 0.00 54.91 55.50 3hkc h ALA 333 Cb 0.56 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3hkc h ALA 333 CO -0.79 -0.47 -0.66 1.79 0.00 0.00 0.00 179.25 179.11 3hkc h THR 334 N -0.03 0.44 -0.16 0.00 1.35 -1.45 -2.76 112.91 110.29 3hkc h THR 334 Ca 0.37 -1.68 0.05 0.00 -0.55 0.00 0.00 66.41 64.60 3hkc h THR 334 Cb 0.61 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 3hkc h THR 334 CO -0.86 0.25 0.17 0.40 -0.25 0.00 0.00 175.52 175.23 3hkc h ILE 335 N 0.00 0.54 0.03 6.82 2.04 -0.52 -2.49 117.51 123.93 3hkc h ILE 335 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3hkc h ILE 335 Cb 1.27 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3hkc h ILE 335 CO 0.04 0.00 -0.02 0.07 0.00 0.00 0.00 178.15 178.24 3hkc h LYS 336 N 0.00 -0.04 -0.12 2.37 -0.00 -1.18 -3.26 116.57 114.33 3hkc h LYS 336 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 60.61 3hkc h LYS 336 Cb 0.41 0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 32.64 3hkc h LYS 336 CO -0.00 0.64 -0.45 1.15 -0.00 0.00 0.00 179.45 180.79 3hkc h THR 337 N -0.88 1.32 -2.22 0.07 2.02 -1.51 -3.20 112.91 108.51 3hkc h THR 337 Ca -0.00 -1.63 -0.59 0.00 0.77 0.00 0.00 66.41 64.96 3hkc h THR 337 Cb 0.70 1.73 -0.42 0.00 -1.74 0.00 0.00 68.15 68.42 3hkc h THR 337 CO 0.01 0.49 -0.66 0.29 0.37 0.00 0.00 175.52 176.02 3hkc n LYS 338 N -3.99 3.24 -2.15 6.66 4.01 -0.96 -5.06 118.16 119.91 3hkc n LYS 338 Ca -0.02 -4.82 0.00 0.00 -0.51 0.00 0.00 58.31 52.97 3hkc n LYS 338 Cb 0.52 -2.23 0.00 0.00 -0.51 0.00 0.00 35.03 32.81 3hkc n LYS 338 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3hkc n ARG 339 N -0.26 0.05 -3.18 1.97 3.00 -1.21 -4.91 116.66 112.11 3hkc n ARG 339 Ca 0.32 -0.16 -0.46 0.00 -0.00 0.00 0.00 57.85 57.55 3hkc n ARG 339 Cb 0.42 0.25 -0.02 0.00 0.00 0.00 0.00 32.46 33.10 3hkc n ARG 339 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3hkc s THR 340 N -2.20 5.34 0.00 5.15 2.01 -1.26 -4.90 115.64 119.77 3hkc s THR 340 Ca 0.05 -2.29 0.00 0.00 0.31 0.00 0.00 61.69 59.76 3hkc s THR 340 Cb -0.00 -4.60 0.00 0.00 0.01 0.00 0.00 72.50 67.90 3hkc s THR 340 CO 0.00 -1.23 0.23 2.30 -0.69 0.00 0.00 174.62 175.23 3hkc n ILE 341 N 4.37 0.00 -2.76 1.82 -0.00 -1.26 -4.95 119.36 116.58 3hkc n ILE 341 Ca 0.19 0.73 -0.10 0.00 -0.00 0.00 0.00 62.75 63.57 3hkc n ILE 341 Cb 0.47 -1.37 0.05 0.00 -0.00 0.00 0.00 39.64 38.79 3hkc n ILE 341 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3hkc n GLN 342 N -0.39 -2.62 -4.48 6.28 6.02 -1.26 -4.96 117.38 115.97 3hkc n GLN 342 Ca 0.00 0.56 -0.31 0.00 -0.01 0.00 0.00 57.00 57.24 3hkc n GLN 342 Cb 0.00 -4.48 -0.11 0.00 1.02 0.00 0.00 30.24 26.67 3hkc n GLN 342 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3hkc s PHE 343 N -3.25 2.76 -0.07 1.08 0.40 -1.26 -1.89 117.98 115.74 3hkc s PHE 343 Ca 0.18 -0.13 -0.28 0.00 -0.60 0.00 0.00 56.93 56.10 3hkc s PHE 343 Cb -0.02 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 3hkc s PHE 343 CO 0.48 0.34 0.90 0.54 0.70 0.00 0.00 175.22 178.18 3hkc s VAL 344 N -1.02 4.89 0.00 -0.44 0.11 -0.50 -4.86 120.40 118.58 3hkc s VAL 344 Ca 0.17 1.84 0.00 0.00 -2.93 0.00 0.00 61.98 61.06 3hkc s VAL 344 Cb -0.11 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.52 3hkc s VAL 344 CO 0.08 0.12 0.00 -0.67 -3.33 0.00 0.00 175.10 171.30 3hkc n ASP 345 N 4.39 0.00 -2.73 3.54 -0.08 -1.26 -3.14 116.55 117.26 3hkc n ASP 345 Ca 0.05 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.12 3hkc n ASP 345 Cb 0.50 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.96 3hkc n ASP 345 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 3hkc n TRP 346 N 0.00 2.38 -3.24 -0.67 4.27 -1.26 -5.01 117.44 113.91 3hkc n TRP 346 Ca 0.00 -3.30 0.04 0.00 -3.89 0.00 0.00 57.50 50.34 3hkc n TRP 346 Cb 0.00 -0.30 -0.02 0.00 -1.36 0.00 0.00 31.31 29.63 3hkc n TRP 346 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hkc n PRO 348 N 5.28 0.00 -0.87 0.00 -0.01 -1.26 -4.53 135.00 133.61 3hkc n PRO 348 Ca -0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 63.50 63.37 3hkc n PRO 348 Cb 0.53 0.00 -0.05 0.00 -0.01 0.00 0.00 33.50 33.97 3hkc n PRO 348 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 3hkc n THR 349 N 0.00 0.00 -1.88 3.45 -2.24 -1.26 -5.02 114.28 107.33 3hkc n THR 349 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3hkc n THR 349 Cb 0.00 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3hkc n THR 349 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hkc n GLY 350 N 0.00 1.07 1.65 3.38 0.00 -1.26 -4.90 105.19 105.13 3hkc n GLY 350 Ca -0.21 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 3hkc n GLY 350 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hkc n PHE 351 N 2.20 -0.23 -2.83 1.61 0.99 -0.13 -4.97 117.46 114.11 3hkc n PHE 351 Ca 0.00 0.08 -0.42 0.00 -0.00 0.00 0.00 57.45 57.12 3hkc n PHE 351 Cb 0.00 -2.32 -0.04 0.00 -1.00 0.00 0.00 39.48 36.13 3hkc n PHE 351 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3hkc s LYS 352 N -3.08 4.40 -0.19 -1.08 1.02 -0.94 -4.88 119.74 115.00 3hkc s LYS 352 Ca 0.03 1.17 0.01 0.00 0.02 0.00 0.00 55.97 57.20 3hkc s LYS 352 Cb -0.00 -3.52 0.03 0.00 -0.52 0.00 0.00 37.83 33.81 3hkc s LYS 352 CO 0.06 -0.21 -0.18 0.08 -0.92 0.00 0.00 175.35 174.19 3hkc s VAL 353 N 1.70 2.01 -0.19 3.17 1.01 -1.26 -1.84 120.40 125.00 3hkc s VAL 353 Ca 0.43 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3hkc s VAL 353 Cb -0.18 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3hkc s VAL 353 CO 0.17 0.43 -0.03 -0.83 0.00 0.00 0.00 175.10 174.84 3hkc s GLY 354 N 1.28 1.67 -0.17 4.51 0.00 -0.18 -4.94 107.32 109.49 3hkc s GLY 354 Ca 0.03 -1.02 -0.04 0.00 0.00 0.00 0.00 44.72 43.69 3hkc s GLY 354 CO -0.11 0.22 -0.02 -0.42 0.00 0.00 0.00 173.10 172.77 3hkc s ILE 355 N 1.01 3.95 -0.15 0.90 1.01 -1.26 -0.17 121.20 126.50 3hkc s ILE 355 Ca 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 3hkc s ILE 355 Cb -0.15 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 3hkc s ILE 355 CO 0.01 0.47 -0.08 0.21 0.00 0.00 0.00 174.94 175.54 3hkc s ASN 356 N 0.59 4.39 0.47 3.58 2.47 -1.00 -4.82 114.94 120.62 3hkc s ASN 356 Ca -0.02 -0.24 0.27 0.00 0.42 0.00 0.00 52.86 53.29 3hkc s ASN 356 Cb -0.14 -1.70 1.01 0.00 -1.45 0.00 0.00 41.25 38.97 3hkc s ASN 356 CO 0.02 0.16 1.86 1.88 -3.72 0.00 0.00 177.10 177.30 3hkc h TYR 357 N 6.75 0.00 -1.17 0.43 0.99 -1.91 0.30 116.97 122.37 3hkc h TYR 357 Ca -0.29 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 59.87 3hkc h TYR 357 Cb 1.20 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.91 3hkc h TYR 357 CO 0.52 0.15 1.55 0.94 -0.00 0.00 0.00 178.16 181.32 3hkc n GLN 358 N -3.29 0.99 -2.13 4.88 -0.06 -1.26 -4.03 117.38 112.48 3hkc n GLN 358 Ca 0.00 0.18 -0.41 0.00 -2.00 0.00 0.00 57.00 54.78 3hkc n GLN 358 Cb 0.40 -2.69 -0.03 0.00 -4.06 0.00 0.00 30.24 23.86 3hkc n GLN 358 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 3hkc s PRO 359 N 7.31 4.35 0.04 3.69 0.02 -1.26 -3.46 135.00 145.68 3hkc s PRO 359 Ca 1.09 2.17 -0.30 0.00 0.02 0.00 0.00 61.00 63.98 3hkc s PRO 359 Cb -0.66 -3.14 -0.08 0.00 0.02 0.00 0.00 34.50 30.65 3hkc s PRO 359 CO 0.41 -0.28 1.70 -1.25 -0.33 0.00 0.00 177.00 177.24 3hkc s PRO 360 N -0.61 4.18 0.02 5.54 0.04 -1.26 -4.97 135.00 137.95 3hkc s PRO 360 Ca 0.55 2.34 -0.01 0.00 0.04 0.00 0.00 61.00 63.92 3hkc s PRO 360 Cb -0.39 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 3hkc s PRO 360 CO 0.43 -0.79 0.18 0.95 0.04 0.00 0.00 177.00 177.81 3hkc s THR 361 N 3.22 5.35 0.33 1.26 -4.23 -1.26 -4.13 115.64 116.18 3hkc s THR 361 Ca 0.76 -0.28 0.10 0.00 -1.18 0.00 0.00 61.69 61.09 3hkc s THR 361 Cb -0.39 -3.54 -0.06 0.00 1.34 0.00 0.00 72.50 69.85 3hkc s THR 361 CO 0.33 0.25 -0.12 0.68 -0.54 0.00 0.00 174.62 175.22 3hkc s VAL 362 N -1.39 2.28 0.19 2.29 -7.23 -1.26 -4.95 120.40 110.33 3hkc s VAL 362 Ca 0.30 -2.25 -0.31 0.00 -1.81 0.00 0.00 61.98 57.91 3hkc s VAL 362 Cb -0.13 -2.56 -0.09 0.00 0.56 0.00 0.00 36.38 34.16 3hkc s VAL 362 CO 0.22 -0.25 1.44 -0.69 -0.31 0.00 0.00 175.10 175.50 3hkc s VAL 363 N -2.60 2.89 0.02 1.32 1.01 -1.26 -4.95 120.40 116.83 3hkc s VAL 363 Ca 0.32 0.69 -0.26 0.00 0.00 0.00 0.00 61.98 62.73 3hkc s VAL 363 Cb 0.01 -3.44 -0.17 0.00 0.00 0.00 0.00 36.38 32.78 3hkc s VAL 363 CO 0.16 0.08 1.28 1.55 0.00 0.00 0.00 175.10 178.18 3hkc h PRO 364 N 5.91 -0.44 -0.91 2.72 0.13 -1.99 0.24 132.00 137.66 3hkc h PRO 364 Ca -0.44 0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.62 3hkc h PRO 364 Cb 1.21 0.10 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 3hkc h PRO 364 CO 0.83 -0.13 0.13 0.41 -0.23 0.00 0.00 178.00 179.00 3hkc n GLY 365 N -0.45 2.53 0.00 1.56 0.00 -1.26 -4.91 105.19 102.65 3hkc n GLY 365 Ca -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3hkc n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkc n GLY 366 N 0.06 -2.74 0.00 -0.02 0.00 0.07 -5.02 105.19 97.53 3hkc n GLY 366 Ca 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3hkc n GLY 366 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hkc n ASP 367 N 0.00 4.18 -4.94 1.61 8.00 -1.26 -5.01 116.55 119.13 3hkc n ASP 367 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 3hkc n ASP 367 Cb 0.00 0.47 0.04 0.00 -0.02 0.00 0.00 41.12 41.61 3hkc n ASP 367 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hkc s LEU 368 N -3.39 3.19 0.32 0.64 1.02 -1.26 -1.41 118.68 117.79 3hkc s LEU 368 Ca 0.00 0.40 0.08 0.00 0.02 0.00 0.00 54.13 54.63 3hkc s LEU 368 Cb 0.00 -3.20 -0.03 0.00 0.02 0.00 0.00 46.19 42.98 3hkc s LEU 368 CO 0.00 -1.18 0.23 0.00 0.02 0.00 0.00 176.35 175.43 3hkc s ALA 369 N -2.94 3.70 0.03 4.21 0.00 -0.21 -4.06 121.76 122.49 3hkc s ALA 369 Ca 0.56 -1.66 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 3hkc s ALA 369 Cb -0.10 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 21.87 3hkc s ALA 369 CO 0.42 0.06 1.41 -1.59 0.00 0.00 0.00 175.76 176.06 3hkc s LYS 370 N -3.93 4.29 0.24 0.00 -2.85 -1.26 -4.87 119.74 111.36 3hkc s LYS 370 Ca 0.39 2.00 0.07 0.00 -1.00 0.00 0.00 55.97 57.43 3hkc s LYS 370 Cb -0.05 -3.50 -0.04 0.00 -2.06 0.00 0.00 37.83 32.18 3hkc s LYS 370 CO 0.25 -0.55 0.20 0.08 0.10 0.00 0.00 175.35 175.44 3hkc s VAL 371 N 2.11 4.53 -0.03 1.79 1.01 -1.26 -5.03 120.40 123.51 3hkc s VAL 371 Ca 0.64 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3hkc s VAL 371 Cb -0.33 -3.43 -0.26 0.00 0.00 0.00 0.00 36.38 32.36 3hkc s VAL 371 CO 0.28 -0.32 0.71 1.56 0.00 0.00 0.00 175.10 177.33 3hkc h GLN 372 N 1.56 0.18 -2.32 2.72 1.08 -1.95 -3.39 115.11 113.00 3hkc h GLN 372 Ca -0.49 -0.30 -0.05 0.00 -1.45 0.00 0.00 58.65 56.36 3hkc h GLN 372 Cb 1.23 0.11 -0.23 0.00 -0.05 0.00 0.00 27.48 28.54 3hkc h GLN 372 CO 0.61 0.97 -0.12 -0.98 -0.95 0.00 0.00 178.83 178.36 3hkc s ARG 373 N -2.60 0.57 0.08 1.46 1.70 -1.26 -2.35 118.95 116.55 3hkc s ARG 373 Ca -0.10 0.98 0.03 0.00 -0.47 0.00 0.00 55.73 56.17 3hkc s ARG 373 Cb 0.07 0.10 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 3hkc s ARG 373 CO 0.83 -0.14 -0.10 0.00 -1.08 0.00 0.00 175.30 174.80 3hkc s ALA 374 N 1.34 0.99 0.39 7.88 0.00 -0.57 -4.78 121.76 127.01 3hkc s ALA 374 Ca -0.08 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.85 3hkc s ALA 374 Cb -0.06 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 3hkc s ALA 374 CO -0.14 -0.02 0.05 0.08 0.00 0.00 0.00 175.76 175.73 3hkc s VAL 375 N -2.11 1.33 0.00 0.00 1.01 -1.26 -0.20 120.40 119.16 3hkc s VAL 375 Ca 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.99 3hkc s VAL 375 Cb -0.05 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3hkc s VAL 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.10 3hkc n MET 377 N -0.50 -1.01 -3.98 0.00 0.00 -1.23 -3.06 117.12 107.34 3hkc n MET 377 Ca 0.00 1.16 -0.35 0.00 0.00 0.00 0.00 57.70 58.51 3hkc n MET 377 Cb 0.04 -1.26 -0.10 0.00 0.00 0.00 0.00 33.22 31.90 3hkc n MET 377 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3hkc s LEU 378 N -0.59 3.72 0.00 -0.89 1.43 -0.20 -3.17 118.68 118.99 3hkc s LEU 378 Ca -0.01 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3hkc s LEU 378 Cb 0.00 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 3hkc s LEU 378 CO 0.07 0.13 -0.09 -0.94 0.23 0.00 0.00 176.35 175.75 3hkc s SER 379 N 0.63 1.04 -0.88 2.29 1.04 -0.79 -0.51 113.70 116.52 3hkc s SER 379 Ca 0.03 -0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.15 3hkc s SER 379 Cb -0.13 -0.10 0.23 0.00 0.10 0.00 0.00 66.02 66.12 3hkc s SER 379 CO 0.02 0.07 0.81 0.21 0.98 0.00 0.00 173.24 175.32 3hkc s ASN 380 N -0.43 6.58 0.43 7.02 3.04 0.05 0.71 114.94 132.34 3hkc s ASN 380 Ca 0.02 -3.10 0.02 0.00 0.04 0.00 0.00 52.86 49.83 3hkc s ASN 380 Cb -0.04 -2.11 -0.00 0.00 -1.54 0.00 0.00 41.25 37.55 3hkc s ASN 380 CO -0.00 -0.41 0.64 0.28 -3.04 0.00 0.00 177.10 174.57 3hkc s THR 381 N -0.47 3.97 -2.03 -5.21 -1.32 -1.26 -0.65 115.64 108.68 3hkc s THR 381 Ca 0.23 -0.59 0.24 0.00 -1.21 0.00 0.00 61.69 60.35 3hkc s THR 381 Cb -0.11 -3.45 0.08 0.00 -1.51 0.00 0.00 72.50 67.50 3hkc s THR 381 CO -0.08 -0.29 1.22 0.35 -2.21 0.00 0.00 174.62 173.61 3hkc n THR 382 N -2.01 0.00 1.20 5.08 -2.24 -0.64 -3.90 114.28 111.78 3hkc n THR 382 Ca 0.01 -0.24 0.13 0.00 -2.27 0.00 0.00 64.05 61.68 3hkc n THR 382 Cb 0.58 1.05 0.38 0.00 -2.10 0.00 0.00 70.33 70.23 3hkc n THR 382 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hkc n ALA 383 N -0.10 3.14 0.21 6.98 0.00 -1.26 -3.53 120.51 125.94 3hkc n ALA 383 Ca 0.10 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.27 3hkc n ALA 383 Cb 0.44 -1.15 0.53 0.00 0.00 0.00 0.00 19.45 19.27 3hkc n ALA 383 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3hkc n ILE 384 N -0.87 1.05 1.75 0.00 3.06 -1.25 -1.65 119.36 121.45 3hkc n ILE 384 Ca 0.11 0.61 0.00 0.00 -2.50 0.00 0.00 62.75 60.97 3hkc n ILE 384 Cb 0.34 -1.60 0.00 0.00 0.54 0.00 0.00 39.64 38.92 3hkc n ILE 384 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hkc n ALA 385 N -1.76 2.43 -0.08 1.51 0.00 -1.23 -2.80 120.51 118.58 3hkc n ALA 385 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 3hkc n ALA 385 Cb 0.07 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 3hkc n ALA 385 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hkc h GLU 386 N 0.01 0.51 -0.91 0.00 4.57 -1.61 -3.01 114.58 114.14 3hkc h GLU 386 Ca 0.00 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3hkc h GLU 386 Cb 0.06 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 3hkc h GLU 386 CO 0.00 0.79 0.55 0.00 -1.18 0.00 0.00 179.01 179.18 3hkc h ALA 387 N 0.71 1.26 0.00 2.92 0.00 -1.76 -1.62 119.26 120.76 3hkc h ALA 387 Ca 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hkc h ALA 387 Cb 0.65 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hkc h ALA 387 CO 0.04 0.64 -0.09 -1.49 0.00 0.00 0.00 179.25 178.34 3hkc h TRP 388 N 1.25 0.00 0.04 0.00 -0.00 -1.65 -2.03 115.95 113.57 3hkc h TRP 388 Ca 0.33 0.00 -0.38 0.00 -0.00 0.00 0.00 58.89 58.84 3hkc h TRP 388 Cb -0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.05 3hkc h TRP 388 CO 0.00 0.09 -2.30 0.00 -0.00 0.00 0.00 178.44 176.24 3hkc n ALA 389 N -2.30 1.23 -0.22 1.49 0.00 -1.15 -3.45 120.51 116.12 3hkc n ALA 389 Ca -0.02 -0.93 0.19 0.00 0.00 0.00 0.00 53.44 52.68 3hkc n ALA 389 Cb 0.20 -0.28 0.53 0.00 0.00 0.00 0.00 19.45 19.90 3hkc n ALA 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkc h ARG 390 N -0.06 0.36 0.36 0.00 3.08 -1.10 0.46 114.38 117.47 3hkc h ARG 390 Ca -0.53 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.48 3hkc h ARG 390 Cb 1.91 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.88 3hkc h ARG 390 CO -0.06 0.24 -0.17 1.25 -1.07 0.00 0.00 179.97 180.16 3hkc h LEU 391 N 0.37 -0.40 -0.89 3.04 5.85 -1.57 -3.33 115.31 118.39 3hkc h LEU 391 Ca 0.45 0.01 0.23 0.00 0.84 0.00 0.00 57.88 59.41 3hkc h LEU 391 Cb 1.15 0.10 -0.16 0.00 0.37 0.00 0.00 40.66 42.13 3hkc h LEU 391 CO -0.15 -0.24 0.08 0.44 -0.34 0.00 0.00 178.44 178.22 3hkc h ASP 392 N -0.57 -0.30 -0.56 1.25 3.45 -0.88 -1.87 116.42 116.94 3hkc h ASP 392 Ca -0.05 0.23 0.01 0.00 0.43 0.00 0.00 57.03 57.65 3hkc h ASP 392 Cb 0.37 0.38 -0.03 0.00 -0.56 0.00 0.00 39.33 39.49 3hkc h ASP 392 CO 0.08 -0.25 0.37 -0.74 -1.57 0.00 0.00 179.24 177.13 3hkc h HIS 393 N 0.09 0.70 0.02 4.55 2.76 -0.33 1.05 115.15 123.98 3hkc h HIS 393 Ca 0.53 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.73 3hkc h HIS 393 Cb 1.06 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.77 3hkc h HIS 393 CO -0.41 0.44 -0.16 0.87 -1.30 0.00 0.00 177.93 177.37 3hkc h LYS 394 N 0.75 -0.21 0.00 5.26 6.56 -1.46 -2.62 116.57 124.86 3hkc h LYS 394 Ca 0.21 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 3hkc h LYS 394 Cb -0.08 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 3hkc h LYS 394 CO -0.05 -0.14 0.00 0.34 -2.06 0.00 0.00 179.45 177.54 3hkc n PHE 395 N -3.36 0.00 -0.13 -1.35 7.35 -0.36 -0.28 117.46 119.33 3hkc n PHE 395 Ca -0.02 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.75 3hkc n PHE 395 Cb 0.12 -0.36 0.17 0.00 0.35 0.00 0.00 39.48 39.76 3hkc n PHE 395 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3hkc n ASP 396 N -2.39 0.04 0.02 -2.13 8.00 0.35 0.24 116.55 120.67 3hkc n ASP 396 Ca 0.00 0.65 0.11 0.00 0.71 0.00 0.00 54.79 56.26 3hkc n ASP 396 Cb 0.00 -0.27 0.01 0.00 -0.02 0.00 0.00 41.12 40.84 3hkc n ASP 396 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3hkc n LEU 397 N -4.13 0.62 -0.03 0.64 0.00 0.61 -1.69 117.00 113.03 3hkc n LEU 397 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 56.01 56.04 3hkc n LEU 397 Cb 0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 43.42 43.72 3hkc n LEU 397 CO -0.01 0.07 -0.06 0.24 0.00 0.00 0.00 177.39 177.63 3hkc h MET 398 N 0.00 0.00 -1.63 1.96 2.86 0.50 -3.38 114.93 115.24 3hkc h MET 398 Ca 0.00 0.00 0.48 0.00 -2.06 0.00 0.00 59.70 58.12 3hkc h MET 398 Cb 0.70 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.28 3hkc h MET 398 CO 0.00 0.00 1.15 -0.92 1.06 0.00 0.00 176.91 178.20 3hkc h TYR 399 N -0.56 0.11 0.00 -0.22 3.20 -1.40 0.66 116.97 118.77 3hkc h TYR 399 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hkc h TYR 399 Cb 0.09 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3hkc h TYR 399 CO -0.04 -0.04 0.00 0.00 -1.64 0.00 0.00 178.16 176.44 3hkc n ALA 400 N -2.80 1.33 -1.70 1.82 0.00 -0.68 -0.56 120.51 117.92 3hkc n ALA 400 Ca 0.38 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.82 3hkc n ALA 400 Cb 1.69 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 20.14 3hkc n ALA 400 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hkc n LYS 401 N -1.19 0.16 -2.98 0.00 5.02 0.23 -4.98 118.16 114.42 3hkc n LYS 401 Ca 0.00 -1.03 -0.19 0.00 -2.02 0.00 0.00 58.31 55.07 3hkc n LYS 401 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 3hkc n LYS 401 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hkc n ARG 402 N -0.12 -3.17 -0.24 1.97 5.12 0.27 -4.85 116.66 115.64 3hkc n ARG 402 Ca 0.01 0.58 -0.06 0.00 -1.93 0.00 0.00 57.85 56.44 3hkc n ARG 402 Cb 0.65 -5.26 -0.06 0.00 -1.16 0.00 0.00 32.46 26.63 3hkc n ARG 402 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hkc n ALA 403 N -3.05 -0.37 0.05 7.54 0.00 -1.19 -2.38 120.51 121.12 3hkc n ALA 403 Ca -0.08 0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.86 3hkc n ALA 403 Cb 0.58 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 20.04 3hkc n ALA 403 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hkc n PHE 404 N -4.41 0.00 -0.08 0.00 3.01 -1.26 -4.80 117.46 109.92 3hkc n PHE 404 Ca 0.01 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.47 3hkc n PHE 404 Cb 0.15 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.62 3hkc n PHE 404 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 3hkc n VAL 405 N -0.64 -0.11 -0.33 -4.37 3.14 -1.00 -1.32 118.33 113.70 3hkc n VAL 405 Ca 0.00 0.49 0.18 0.00 -2.96 0.00 0.00 64.34 62.05 3hkc n VAL 405 Cb 0.02 -0.64 0.42 0.00 -1.06 0.00 0.00 33.84 32.59 3hkc n VAL 405 CO 0.00 0.00 0.00 1.12 -6.46 0.00 0.00 176.83 171.49 3hkc h HIS 406 N 0.00 0.86 -0.28 1.45 2.07 -1.87 0.34 115.15 117.72 3hkc h HIS 406 Ca 0.07 0.03 0.08 0.00 -2.85 0.00 0.00 60.37 57.70 3hkc h HIS 406 Cb 0.12 -0.25 -0.01 0.00 2.57 0.00 0.00 27.41 29.84 3hkc h HIS 406 CO -0.19 0.12 0.34 -1.49 -3.07 0.00 0.00 177.93 173.65 3hkc h TRP 407 N 0.55 0.00 0.00 6.12 4.06 -1.61 0.22 115.95 125.30 3hkc h TRP 407 Ca 0.59 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.44 3hkc h TRP 407 Cb 1.22 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.37 3hkc h TRP 407 CO -0.00 0.00 -0.57 1.88 -3.56 0.00 0.00 178.44 176.19 3hkc h TYR 408 N 0.00 0.00 -0.03 0.49 -1.99 -0.51 -2.88 116.97 112.04 3hkc h TYR 408 Ca 0.13 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.87 3hkc h TYR 408 Cb 0.81 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.54 3hkc h TYR 408 CO 0.00 1.15 0.18 0.28 -0.00 0.00 0.00 178.16 179.76 3hkc h VAL 409 N -1.00 0.08 -0.07 -2.88 2.07 -1.42 -1.18 116.25 111.86 3hkc h VAL 409 Ca -0.15 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 3hkc h VAL 409 Cb 1.08 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3hkc h VAL 409 CO -0.09 0.00 -0.18 1.23 0.02 0.00 0.00 177.57 178.55 3hkc h GLY 410 N 0.00 0.26 2.00 2.17 0.00 -0.53 -2.88 103.07 104.08 3hkc h GLY 410 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3hkc h GLY 410 CO -0.00 0.29 0.00 1.18 0.00 0.00 0.00 176.54 178.01 3hkc n GLU 411 N -4.57 0.00 0.00 4.80 -0.58 -0.71 -4.88 120.64 114.70 3hkc n GLU 411 Ca -0.08 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3hkc n GLU 411 Cb 0.41 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3hkc n GLU 411 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hkc n GLY 412 N 1.33 1.96 0.04 0.62 0.00 -0.55 -4.77 105.19 103.81 3hkc n GLY 412 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 3hkc n GLY 412 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hkc n MET 413 N -0.15 0.19 -5.23 1.61 1.56 -0.56 -4.96 117.12 109.58 3hkc n MET 413 Ca 0.00 -0.02 -0.31 0.00 -0.27 0.00 0.00 57.70 57.09 3hkc n MET 413 Cb 0.00 -0.01 -0.16 0.00 2.15 0.00 0.00 33.22 35.19 3hkc n MET 413 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 3hkc s GLU 414 N -2.83 2.51 0.28 2.12 2.12 -1.26 -4.53 118.70 117.12 3hkc s GLU 414 Ca 0.01 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.46 3hkc s GLU 414 Cb -0.00 -2.12 0.65 0.00 0.26 0.00 0.00 34.13 32.92 3hkc s GLU 414 CO 0.01 0.36 1.64 0.93 -0.54 0.00 0.00 175.26 177.66 3hkc h GLU 415 N 6.11 0.17 0.00 4.30 5.08 -1.98 -1.22 114.58 127.03 3hkc h GLU 415 Ca -0.31 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 3hkc h GLU 415 Cb 1.18 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3hkc h GLU 415 CO 0.47 0.11 -0.19 0.78 -1.00 0.00 0.00 179.01 179.18 3hkc h GLY 416 N 0.17 0.00 0.98 -3.84 0.00 -2.00 -2.90 103.07 95.48 3hkc h GLY 416 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.83 3hkc h GLY 416 CO -0.67 0.00 0.24 -2.09 0.00 0.00 0.00 176.54 174.02 3hkc h GLU 417 N 0.00 0.82 -0.92 4.80 4.81 -1.63 -1.24 114.58 121.22 3hkc h GLU 417 Ca -0.00 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.18 3hkc h GLU 417 Cb 0.47 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 3hkc h GLU 417 CO 0.02 0.69 0.57 0.74 -0.73 0.00 0.00 179.01 180.30 3hkc h PHE 418 N 0.76 1.05 0.20 0.92 -1.00 -1.56 0.62 116.94 117.93 3hkc h PHE 418 Ca 0.19 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 3hkc h PHE 418 Cb 0.16 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.39 3hkc h PHE 418 CO 0.00 0.49 -0.10 0.77 -1.61 0.00 0.00 178.31 177.86 3hkc h SER 419 N 0.99 -0.23 0.60 2.17 0.02 -1.50 -3.08 113.55 112.52 3hkc h SER 419 Ca 0.42 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3hkc h SER 419 Cb 0.28 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3hkc h SER 419 CO -0.21 -0.01 -0.05 1.21 -1.14 0.00 0.00 176.83 176.62 3hkc n GLU 420 N -5.13 0.38 -0.05 3.45 2.13 -0.49 -0.53 120.64 120.39 3hkc n GLU 420 Ca -0.09 -0.05 -0.21 0.00 0.66 0.00 0.00 57.16 57.46 3hkc n GLU 420 Cb 0.19 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.27 3hkc n GLU 420 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hkc h ALA 421 N 3.37 0.24 -0.63 4.31 0.00 -0.97 -3.33 119.26 122.25 3hkc h ALA 421 Ca 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 54.91 53.76 3hkc h ALA 421 Cb 0.36 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3hkc h ALA 421 CO 0.00 0.77 0.37 -0.09 0.00 0.00 0.00 179.25 180.30 3hkc h ARG 422 N -0.65 0.86 0.00 0.00 9.65 -1.40 -0.96 114.38 121.88 3hkc h ARG 422 Ca -0.32 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 3hkc h ARG 422 Cb 1.51 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 3hkc h ARG 422 CO -0.07 0.62 0.22 0.93 2.80 0.00 0.00 179.97 184.47 3hkc h GLU 423 N 0.85 0.00 0.04 0.20 5.08 -0.97 0.11 114.58 119.88 3hkc h GLU 423 Ca 0.22 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.25 3hkc h GLU 423 Cb -0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3hkc h GLU 423 CO -0.04 0.00 -1.94 -3.47 -1.00 0.00 0.00 179.01 172.56 3hkc n ASP 424 N -2.22 1.20 -0.19 1.42 2.03 -0.38 -2.95 116.55 115.45 3hkc n ASP 424 Ca -0.01 0.26 -0.10 0.00 0.52 0.00 0.00 54.79 55.46 3hkc n ASP 424 Cb 0.25 -0.18 0.01 0.00 -0.72 0.00 0.00 41.12 40.49 3hkc n ASP 424 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3hkc h MET 425 N 0.02 1.04 -0.45 -0.67 2.86 -0.72 0.15 114.93 117.16 3hkc h MET 425 Ca -0.38 -0.38 0.08 0.00 -2.06 0.00 0.00 59.70 56.96 3hkc h MET 425 Cb 2.04 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 33.57 3hkc h MET 425 CO 0.06 1.07 0.04 0.00 1.06 0.00 0.00 176.91 179.14 3hkc h ALA 426 N 0.93 0.45 0.25 6.32 0.00 -1.08 0.30 119.26 126.43 3hkc h ALA 426 Ca 0.14 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hkc h ALA 426 Cb 0.67 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3hkc h ALA 426 CO 0.05 -0.36 -0.20 0.00 0.00 0.00 0.00 179.25 178.74 3hkc h ALA 427 N 1.38 -0.44 0.21 0.00 0.00 -1.37 -2.19 119.26 116.86 3hkc h ALA 427 Ca 0.22 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hkc h ALA 427 Cb 0.31 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3hkc h ALA 427 CO -0.34 -0.76 -0.35 1.25 0.00 0.00 0.00 179.25 179.04 3hkc h LEU 428 N -0.46 -1.00 -1.16 0.00 5.85 0.03 0.41 115.31 118.98 3hkc h LEU 428 Ca -0.01 0.10 0.25 0.00 0.84 0.00 0.00 57.88 59.06 3hkc h LEU 428 Cb 0.40 0.36 -0.11 0.00 0.37 0.00 0.00 40.66 41.69 3hkc h LEU 428 CO -0.01 -0.46 0.63 -0.33 -0.34 0.00 0.00 178.44 177.93 3hkc h GLU 429 N -0.64 0.51 -0.08 1.25 5.08 -0.38 0.65 114.58 120.96 3hkc h GLU 429 Ca 0.01 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3hkc h GLU 429 Cb 0.63 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hkc h GLU 429 CO -0.15 0.34 -0.13 0.87 -1.00 0.00 0.00 179.01 178.94 3hkc h LYS 430 N 0.52 0.22 -0.45 2.33 1.79 -0.71 -2.79 116.57 117.49 3hkc h LYS 430 Ca 0.61 -0.14 0.06 0.00 -2.18 0.00 0.00 60.65 59.01 3hkc h LYS 430 Cb 1.30 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.88 3hkc h LYS 430 CO -0.38 0.71 -0.51 -0.44 -1.08 0.00 0.00 179.45 177.75 3hkc h ASP 431 N -0.24 -1.72 0.00 0.86 3.32 0.30 -1.27 116.42 117.67 3hkc h ASP 431 Ca 0.01 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3hkc h ASP 431 Cb 0.70 0.73 0.00 0.00 0.22 0.00 0.00 39.33 40.97 3hkc h ASP 431 CO 0.03 -0.38 0.00 -1.22 -1.72 0.00 0.00 179.24 175.95 3hkc n TYR 432 N -5.39 0.00 0.27 4.55 4.02 0.19 -2.37 117.16 118.43 3hkc n TYR 432 Ca -0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.96 3hkc n TYR 432 Cb 0.34 -0.08 0.48 0.00 -0.02 0.00 0.00 39.34 40.07 3hkc n TYR 432 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3hkc h GLU 433 N 0.00 0.00 0.00 -0.72 4.81 -1.54 0.27 114.58 117.40 3hkc h GLU 433 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hkc h GLU 433 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3hkc h GLU 433 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.67 3hkc n GLU 434 N -2.48 0.91 0.01 1.92 1.02 -0.48 -2.75 120.64 118.79 3hkc n GLU 434 Ca -0.01 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 3hkc n GLU 434 Cb 0.49 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 3hkc n GLU 434 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hkc n VAL 435 N -0.71 0.04 0.05 2.62 0.31 0.94 -5.05 118.33 116.53 3hkc n VAL 435 Ca 0.09 -0.10 -0.03 0.00 -0.01 0.00 0.00 64.34 64.28 3hkc n VAL 435 Cb 0.04 0.57 -0.02 0.00 -0.91 0.00 0.00 33.84 33.53 3hkc n VAL 435 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hkc h GLY 436 N 4.80 -0.93 0.27 2.92 0.00 -1.70 -3.47 103.07 104.96 3hkc h GLY 436 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3hkc h GLY 436 CO 0.00 -0.33 0.00 3.33 0.00 0.00 0.00 176.54 179.54