#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkj s LYS 2 N 0.00 3.94 -0.11 2.12 2.20 -1.26 -4.16 119.74 122.47 1qkj s LYS 2 Ca 0.00 -0.33 -0.04 0.00 -0.36 0.00 0.00 55.97 55.23 1qkj s LYS 2 Cb 0.00 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1qkj s LYS 2 CO 0.00 -0.09 0.06 0.42 -0.36 0.00 0.00 175.35 175.38 1qkj s ILE 3 N 1.47 4.83 -0.06 5.43 1.01 -0.08 -0.15 121.20 133.64 1qkj s ILE 3 Ca 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.70 1qkj s ILE 3 Cb -0.15 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 1qkj s ILE 3 CO 0.08 0.59 -0.13 0.00 0.00 0.00 0.00 174.94 175.48 1qkj s ALA 4 N -0.78 2.71 -0.02 9.38 0.00 0.18 -1.55 121.76 131.68 1qkj s ALA 4 Ca 0.13 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1qkj s ALA 4 Cb -0.12 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 1qkj s ALA 4 CO 0.03 0.52 -0.10 -1.50 0.00 0.00 0.00 175.76 174.71 1qkj s ILE 5 N -0.62 0.81 0.04 0.00 2.07 -0.74 -1.24 121.20 121.52 1qkj s ILE 5 Ca 0.09 -0.40 -0.10 0.00 -1.41 0.00 0.00 60.65 58.83 1qkj s ILE 5 Cb -0.11 -0.71 0.01 0.00 0.13 0.00 0.00 42.46 41.78 1qkj s ILE 5 CO 0.01 0.24 0.22 0.27 -1.91 0.00 0.00 174.94 173.78 1qkj s ILE 6 N 0.04 0.10 -0.16 2.00 -4.36 -0.22 -1.91 121.20 116.68 1qkj s ILE 6 Ca -0.01 -0.83 -0.17 0.00 -0.26 0.00 0.00 60.65 59.39 1qkj s ILE 6 Cb -0.07 -0.90 -0.04 0.00 1.25 0.00 0.00 42.46 42.70 1qkj s ILE 6 CO 0.00 -0.46 0.42 0.21 0.24 0.00 0.00 174.94 175.35 1qkj s ASN 7 N -2.05 6.54 0.40 4.36 3.84 -1.26 -0.07 114.94 126.69 1qkj s ASN 7 Ca -0.05 0.64 0.26 0.00 0.21 0.00 0.00 52.86 53.92 1qkj s ASN 7 Cb -0.01 -2.25 0.76 0.00 -0.55 0.00 0.00 41.25 39.20 1qkj s ASN 7 CO -0.03 -0.02 1.75 -0.03 -2.79 0.00 0.00 177.10 175.97 1qkj h MET 8 N 7.00 0.00 0.00 0.43 1.85 -1.77 -3.37 114.93 119.07 1qkj h MET 8 Ca -0.39 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.70 1qkj h MET 8 Cb 1.17 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.20 1qkj h MET 8 CO 0.74 0.00 0.00 0.41 -0.40 0.00 0.00 176.91 177.66 1qkj n GLY 9 N 0.77 0.83 3.10 1.39 0.00 -1.26 -3.82 105.19 106.20 1qkj n GLY 9 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1qkj n GLY 9 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qkj s ASN 10 N -0.00 1.80 0.45 1.61 0.02 -1.26 -4.28 114.94 113.29 1qkj s ASN 10 Ca 0.00 -0.29 -0.24 0.00 -1.02 0.00 0.00 52.86 51.31 1qkj s ASN 10 Cb 0.00 -0.38 -0.07 0.00 0.02 0.00 0.00 41.25 40.82 1qkj s ASN 10 CO 0.00 0.15 1.25 0.21 0.02 0.00 0.00 177.10 178.73 1qkj s ASN 11 N -0.08 6.06 -0.06 -1.22 2.47 -1.26 -4.57 114.94 116.28 1qkj s ASN 11 Ca 0.00 2.53 0.06 0.00 0.42 0.00 0.00 52.86 55.87 1qkj s ASN 11 Cb -0.09 -2.62 -0.01 0.00 -1.45 0.00 0.00 41.25 37.08 1qkj s ASN 11 CO 0.01 -1.01 -0.24 -0.69 -3.72 0.00 0.00 177.10 171.45 1qkj s VAL 12 N -1.38 2.00 0.11 -5.21 1.01 -1.26 -4.46 120.40 111.21 1qkj s VAL 12 Ca 0.62 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1qkj s VAL 12 Cb -0.35 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1qkj s VAL 12 CO 0.43 0.56 0.00 0.00 0.00 0.00 0.00 175.10 176.08 1qkj n ILE 13 N 3.05 0.00 -2.61 2.22 3.06 -1.26 -4.78 119.36 119.04 1qkj n ILE 13 Ca -0.18 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 1qkj n ILE 13 Cb 0.52 -0.03 0.00 0.00 0.54 0.00 0.00 39.64 40.67 1qkj n ILE 13 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1qkj n ASN 14 N -2.74 0.59 -1.62 9.51 0.23 -1.26 -4.64 115.26 115.33 1qkj n ASN 14 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.09 1qkj n ASN 14 Cb 0.00 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.04 1qkj n ASN 14 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1qkj n PHE 15 N 0.00 1.84 0.17 -2.53 3.01 -1.26 -3.83 117.46 114.86 1qkj n PHE 15 Ca 0.00 -0.92 0.05 0.00 1.01 0.00 0.00 57.45 57.59 1qkj n PHE 15 Cb 0.00 -0.50 0.16 0.00 -0.01 0.00 0.00 39.48 39.12 1qkj n PHE 15 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1qkj h LYS 16 N 2.97 0.00 -6.60 -1.08 1.57 -1.96 -3.01 116.57 108.46 1qkj h LYS 16 Ca 0.07 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.18 1qkj h LYS 16 Cb 1.92 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.96 1qkj h LYS 16 CO 0.48 0.41 -0.87 0.95 -0.57 0.00 0.00 179.45 179.84 1qkj s THR 17 N -3.19 2.04 0.15 -0.16 -4.23 -1.26 -4.63 115.64 104.36 1qkj s THR 17 Ca 0.03 -1.34 -0.16 0.00 -1.18 0.00 0.00 61.69 59.03 1qkj s THR 17 Cb 0.08 -1.75 0.02 0.00 1.34 0.00 0.00 72.50 72.20 1qkj s THR 17 CO 0.71 0.34 1.76 0.58 -0.54 0.00 0.00 174.62 177.47 1qkj h VAL 18 N 4.26 0.92 0.00 2.29 2.07 -1.93 -1.11 116.25 122.74 1qkj h VAL 18 Ca -0.46 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1qkj h VAL 18 Cb 1.15 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1qkj h VAL 18 CO 0.44 0.05 -0.09 1.55 0.02 0.00 0.00 177.57 179.54 1qkj h PRO 19 N 0.29 0.00 0.06 1.57 0.13 -1.97 0.16 132.00 132.25 1qkj h PRO 19 Ca 0.16 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.00 1qkj h PRO 19 Cb 0.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.22 1qkj h PRO 19 CO -0.15 0.09 -1.52 1.03 -0.23 0.00 0.00 178.00 177.22 1qkj h SER 20 N 0.00 0.21 -0.23 1.44 0.87 -1.73 -3.13 113.55 110.98 1qkj h SER 20 Ca -0.00 -0.32 -0.18 0.00 -1.23 0.00 0.00 61.79 60.06 1qkj h SER 20 Cb 0.27 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1qkj h SER 20 CO 0.01 1.27 -0.57 0.28 -0.53 0.00 0.00 176.83 177.29 1qkj h SER 21 N 0.04 0.90 -0.41 6.23 0.02 -0.76 -1.56 113.55 118.01 1qkj h SER 21 Ca -0.23 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 1qkj h SER 21 Cb 1.97 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 64.23 1qkj h SER 21 CO 0.13 1.31 0.27 -0.08 -1.14 0.00 0.00 176.83 177.31 1qkj h GLU 22 N 0.54 0.53 0.04 3.45 4.81 -0.82 0.11 114.58 123.23 1qkj h GLU 22 Ca -0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1qkj h GLU 22 Cb 1.19 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1qkj h GLU 22 CO 0.12 0.35 -0.02 1.15 -0.73 0.00 0.00 179.01 179.89 1qkj h THR 23 N 0.55 1.00 -0.82 0.32 2.02 -1.48 -1.53 112.91 112.97 1qkj h THR 23 Ca 0.15 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1qkj h THR 23 Cb -0.06 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1qkj h THR 23 CO -0.03 0.03 0.44 0.40 0.37 0.00 0.00 175.52 176.72 1qkj h ILE 24 N -0.10 1.24 -0.50 3.11 2.04 -1.19 -1.76 117.51 120.35 1qkj h ILE 24 Ca -0.00 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.24 1qkj h ILE 24 Cb 0.08 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1qkj h ILE 24 CO 0.01 0.28 0.30 1.88 0.00 0.00 0.00 178.15 180.62 1qkj h TYR 25 N 1.16 0.57 -0.41 1.37 0.05 -0.54 -2.33 116.97 116.84 1qkj h TYR 25 Ca 0.29 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.05 1qkj h TYR 25 Cb 0.05 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1qkj h TYR 25 CO 0.01 0.33 0.12 -0.07 -1.05 0.00 0.00 178.16 177.51 1qkj h LEU 26 N 0.61 0.60 -1.35 3.88 3.38 -0.81 -1.97 115.31 119.64 1qkj h LEU 26 Ca 0.20 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1qkj h LEU 26 Cb 0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1qkj h LEU 26 CO -0.08 0.65 0.51 0.15 0.09 0.00 0.00 178.44 179.76 1qkj h PHE 27 N 0.51 0.78 0.24 1.13 3.04 -1.17 -1.05 116.94 120.41 1qkj h PHE 27 Ca 0.13 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 1qkj h PHE 27 Cb 0.27 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.53 1qkj h PHE 27 CO 0.01 0.37 -0.12 0.87 -2.02 0.00 0.00 178.31 177.43 1qkj h LYS 28 N 0.74 -0.31 -0.21 1.11 1.57 -0.94 -0.07 116.57 118.45 1qkj h LYS 28 Ca 0.36 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.17 1qkj h LYS 28 Cb 0.41 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1qkj h LYS 28 CO -0.13 0.05 0.14 -0.39 -0.57 0.00 0.00 179.45 178.55 1qkj h VAL 29 N -0.77 1.03 -0.08 0.50 -1.51 -1.19 0.43 116.25 114.66 1qkj h VAL 29 Ca -0.03 -0.08 -0.12 0.00 -1.23 0.00 0.00 66.70 65.23 1qkj h VAL 29 Cb 0.50 0.77 0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1qkj h VAL 29 CO 0.05 0.04 -0.43 0.40 -1.23 0.00 0.00 177.57 176.41 1qkj h ILE 30 N 0.24 1.39 -0.71 7.19 2.04 -1.10 -2.67 117.51 123.89 1qkj h ILE 30 Ca 0.08 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 1qkj h ILE 30 Cb 0.04 2.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1qkj h ILE 30 CO -0.02 0.53 0.42 0.28 0.00 0.00 0.00 178.15 179.37 1qkj h SER 31 N -0.01 0.85 0.49 1.72 0.02 -0.07 -0.19 113.55 116.37 1qkj h SER 31 Ca -0.03 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1qkj h SER 31 Cb 1.08 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1qkj h SER 31 CO 0.09 0.67 0.00 -0.62 -1.14 0.00 0.00 176.83 175.83 1qkj n GLU 32 N -4.53 0.02 0.00 3.45 1.02 0.14 -1.70 120.64 119.04 1qkj n GLU 32 Ca 0.06 0.23 0.14 0.00 -0.02 0.00 0.00 57.16 57.57 1qkj n GLU 32 Cb 0.06 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 30.60 1qkj n GLU 32 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1qkj n MET 33 N -1.48 0.04 0.00 3.49 1.56 -0.10 -4.84 117.12 115.79 1qkj n MET 33 Ca 0.04 -0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.47 1qkj n MET 33 Cb 0.17 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.04 1qkj n MET 33 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1qkj n GLY 34 N 1.48 0.64 3.86 -5.12 0.00 -0.69 -5.08 105.19 100.28 1qkj n GLY 34 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1qkj n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qkj s LEU 35 N 0.00 3.86 -0.43 0.99 1.43 -1.07 -5.03 118.68 118.42 1qkj s LEU 35 Ca 0.00 1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 54.17 1qkj s LEU 35 Cb 0.00 -4.09 0.05 0.00 0.03 0.00 0.00 46.19 42.18 1qkj s LEU 35 CO 0.00 -0.38 0.33 0.21 0.23 0.00 0.00 176.35 176.74 1qkj s ASN 36 N -2.94 6.07 0.02 2.29 3.04 -1.26 -4.10 114.94 118.05 1qkj s ASN 36 Ca 0.53 -1.11 0.06 0.00 0.04 0.00 0.00 52.86 52.37 1qkj s ASN 36 Cb -0.10 -2.15 -0.02 0.00 -1.54 0.00 0.00 41.25 37.44 1qkj s ASN 36 CO 0.28 -0.53 -0.18 -0.69 -3.04 0.00 0.00 177.10 172.95 1qkj s VAL 37 N 1.64 1.40 -0.04 -5.21 1.01 -1.26 -0.90 120.40 117.04 1qkj s VAL 37 Ca 0.04 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1qkj s VAL 37 Cb -0.21 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1qkj s VAL 37 CO 0.08 0.23 -0.14 -1.81 0.00 0.00 0.00 175.10 173.46 1qkj s ASP 38 N -0.84 1.79 -0.01 3.32 1.11 -0.59 -4.98 116.67 116.46 1qkj s ASP 38 Ca 0.06 -0.29 -0.18 0.00 0.18 0.00 0.00 52.55 52.32 1qkj s ASP 38 Cb -0.08 -0.49 -0.05 0.00 1.07 0.00 0.00 42.92 43.37 1qkj s ASP 38 CO 0.01 0.12 0.50 -0.63 1.18 0.00 0.00 175.17 176.34 1qkj s ILE 39 N 0.09 4.98 -0.20 0.77 1.01 -1.25 -1.80 121.20 124.80 1qkj s ILE 39 Ca -0.03 1.03 -0.02 0.00 0.00 0.00 0.00 60.65 61.63 1qkj s ILE 39 Cb -0.10 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1qkj s ILE 39 CO 0.01 0.48 -0.11 -0.63 0.00 0.00 0.00 174.94 174.69 1qkj s ILE 40 N -0.49 2.81 0.00 2.92 -1.09 -0.81 -0.48 121.20 124.06 1qkj s ILE 40 Ca 0.27 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1qkj s ILE 40 Cb -0.17 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.46 1qkj s ILE 40 CO 0.15 0.47 0.00 -0.24 -1.23 0.00 0.00 174.94 174.09 1qkj n SER 41 N 4.70 0.64 -0.05 3.58 2.88 0.11 -4.60 113.62 120.88 1qkj n SER 41 Ca -0.19 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.22 1qkj n SER 41 Cb 0.51 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 1qkj n SER 41 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1qkj h LEU 42 N 0.00 0.29 -8.82 2.46 3.38 -1.86 -0.65 115.31 110.11 1qkj h LEU 42 Ca 0.00 -0.46 -0.37 0.00 0.09 0.00 0.00 57.88 57.14 1qkj h LEU 42 Cb 0.00 -0.08 -0.14 0.00 0.09 0.00 0.00 40.66 40.52 1qkj h LEU 42 CO 0.00 0.69 -0.68 -0.54 0.09 0.00 0.00 178.44 178.00 1qkj s LYS 43 N -4.37 1.25 0.49 1.13 1.02 -1.26 -4.43 119.74 113.57 1qkj s LYS 43 Ca -0.14 -1.60 -0.21 0.00 0.02 0.00 0.00 55.97 54.04 1qkj s LYS 43 Cb 0.05 -0.68 -0.07 0.00 -0.52 0.00 0.00 37.83 36.61 1qkj s LYS 43 CO 0.73 -0.01 1.15 1.21 -0.92 0.00 0.00 175.35 177.51 1qkj s ASN 44 N -3.26 5.99 0.09 2.83 2.47 -1.26 -4.30 114.94 117.50 1qkj s ASN 44 Ca 0.24 2.24 -0.05 0.00 0.42 0.00 0.00 52.86 55.71 1qkj s ASN 44 Cb 0.04 -2.59 0.02 0.00 -1.45 0.00 0.00 41.25 37.27 1qkj s ASN 44 CO 0.06 -1.03 0.25 0.61 -3.72 0.00 0.00 177.10 173.26 1qkj n GLY 45 N 0.31 1.50 0.35 1.21 0.00 -0.04 -4.93 105.19 103.58 1qkj n GLY 45 Ca 0.09 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.15 1qkj n GLY 45 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1qkj h VAL 46 N 1.28 0.96 -0.00 1.61 2.07 -1.95 -2.94 116.25 117.28 1qkj h VAL 46 Ca -0.09 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1qkj h VAL 46 Cb 0.35 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1qkj h VAL 46 CO 0.11 0.10 -0.06 -1.22 0.02 0.00 0.00 177.57 176.53 1qkj n TYR 47 N -4.48 0.00 -4.31 1.57 4.01 -1.26 -5.07 117.16 107.62 1qkj n TYR 47 Ca 0.10 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.59 1qkj n TYR 47 Cb 0.29 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.19 1qkj n TYR 47 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1qkj s THR 48 N -0.67 1.83 0.03 -0.72 -4.23 -1.11 -3.94 115.64 106.83 1qkj s THR 48 Ca 0.04 -1.64 0.05 0.00 -1.18 0.00 0.00 61.69 58.95 1qkj s THR 48 Cb 0.03 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 1qkj s THR 48 CO 0.08 -0.07 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.46 1qkj s LYS 49 N -2.07 2.40 0.07 3.99 1.02 0.37 -0.86 119.74 124.66 1qkj s LYS 49 Ca 0.09 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 1qkj s LYS 49 Cb -0.09 -2.42 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 1qkj s LYS 49 CO 0.05 0.57 1.05 0.45 -0.92 0.00 0.00 175.35 176.55 1qkj s SER 50 N -1.58 7.31 0.34 2.83 0.15 -1.26 0.08 113.70 121.57 1qkj s SER 50 Ca 0.18 1.84 0.13 0.00 0.70 0.00 0.00 55.95 58.79 1qkj s SER 50 Cb -0.11 -2.58 0.99 0.00 -1.71 0.00 0.00 66.02 62.61 1qkj s SER 50 CO 0.09 -0.26 1.70 -0.26 1.20 0.00 0.00 173.24 175.71 1qkj h PHE 51 N 6.28 0.95 -0.38 3.44 0.04 -1.32 -0.95 116.94 125.00 1qkj h PHE 51 Ca -0.42 0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.33 1qkj h PHE 51 Cb 1.22 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 1qkj h PHE 51 CO 0.66 -0.03 0.07 -0.40 -0.60 0.00 0.00 178.31 178.01 1qkj n ASP 52 N -4.92 3.74 0.00 2.17 5.68 -1.26 -3.48 116.55 118.47 1qkj n ASP 52 Ca 0.29 -2.62 0.00 0.00 -0.50 0.00 0.00 54.79 51.96 1qkj n ASP 52 Cb 0.86 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1qkj n ASP 52 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1qkj n GLU 53 N 0.22 1.43 -4.58 0.11 1.02 -0.37 -5.04 120.64 113.44 1qkj n GLU 53 Ca 0.20 -0.18 -0.23 0.00 -0.02 0.00 0.00 57.16 56.93 1qkj n GLU 53 Cb 0.88 -0.59 -0.14 0.00 -0.02 0.00 0.00 31.44 31.56 1qkj n GLU 53 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1qkj s VAL 54 N -0.25 1.32 -0.34 2.62 1.01 -1.13 -4.99 120.40 118.63 1qkj s VAL 54 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1qkj s VAL 54 Cb 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1qkj s VAL 54 CO 0.00 0.19 0.18 -0.62 0.00 0.00 0.00 175.10 174.85 1qkj s ASP 55 N -0.87 5.67 0.64 3.32 2.15 -1.26 -4.88 116.67 121.43 1qkj s ASP 55 Ca 0.05 -0.70 0.24 0.00 0.43 0.00 0.00 52.55 52.57 1qkj s ASP 55 Cb -0.07 -2.03 1.22 0.00 -0.30 0.00 0.00 42.92 41.74 1qkj s ASP 55 CO 0.01 -0.27 1.68 1.62 -0.17 0.00 0.00 175.17 178.03 1qkj h VAL 56 N 5.72 0.10 -0.13 1.11 3.04 -1.89 -1.45 116.25 122.74 1qkj h VAL 56 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1qkj h VAL 56 Cb 1.13 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1qkj h VAL 56 CO 0.64 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.79 1qkj n ASN 57 N -3.07 0.88 0.15 3.17 3.02 -1.26 -3.01 115.26 115.13 1qkj n ASN 57 Ca 0.04 -1.81 0.12 0.00 -0.03 0.00 0.00 54.58 52.90 1qkj n ASN 57 Cb 0.69 -0.09 0.13 0.00 -0.61 0.00 0.00 39.78 39.90 1qkj n ASN 57 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1qkj h ASP 58 N 1.04 0.00 -3.27 6.41 3.32 -1.68 -3.45 116.42 118.79 1qkj h ASP 58 Ca 0.00 -0.02 -0.56 0.00 0.02 0.00 0.00 57.03 56.46 1qkj h ASP 58 Cb 0.23 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1qkj h ASP 58 CO 0.00 0.01 -0.20 -0.31 -1.72 0.00 0.00 179.24 177.02 1qkj s TYR 59 N -3.25 3.49 -2.54 4.55 2.02 -1.17 -4.80 117.35 115.66 1qkj s TYR 59 Ca 0.04 0.77 0.25 0.00 -0.37 0.00 0.00 57.07 57.77 1qkj s TYR 59 Cb 0.08 -2.17 0.51 0.00 -0.40 0.00 0.00 41.96 39.99 1qkj s TYR 59 CO 0.71 0.39 1.43 -0.25 -1.57 0.00 0.00 175.55 176.26 1qkj n ASP 60 N 0.23 2.12 -3.67 2.29 8.00 0.79 -4.86 116.55 121.46 1qkj n ASP 60 Ca -0.03 -1.62 -0.10 0.00 0.71 0.00 0.00 54.79 53.75 1qkj n ASP 60 Cb 0.52 0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.63 1qkj n ASP 60 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1qkj s ARG 61 N -2.14 0.62 -0.26 -1.24 1.81 -1.23 -5.00 118.95 111.50 1qkj s ARG 61 Ca 0.29 0.97 0.00 0.00 -1.72 0.00 0.00 55.73 55.28 1qkj s ARG 61 Cb 0.20 0.16 0.05 0.00 -0.45 0.00 0.00 34.95 34.91 1qkj s ARG 61 CO 0.38 -0.13 -0.08 -1.17 -0.68 0.00 0.00 175.30 173.63 1qkj s LEU 62 N 1.13 3.42 -0.15 2.53 2.96 -1.26 -0.65 118.68 126.66 1qkj s LEU 62 Ca -0.06 -1.19 -0.05 0.00 -0.22 0.00 0.00 54.13 52.60 1qkj s LEU 62 Cb -0.06 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1qkj s LEU 62 CO -0.11 -0.18 0.03 -0.63 -1.32 0.00 0.00 176.35 174.13 1qkj s ILE 63 N 1.21 4.48 -0.11 6.68 1.01 -0.37 -1.10 121.20 132.98 1qkj s ILE 63 Ca -0.05 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1qkj s ILE 63 Cb -0.19 -2.97 0.01 0.00 0.01 0.00 0.00 42.46 39.32 1qkj s ILE 63 CO -0.04 0.51 -0.19 -0.69 0.00 0.00 0.00 174.94 174.53 1qkj s VAL 64 N 0.03 1.75 -0.04 2.92 1.01 0.32 -1.06 120.40 125.32 1qkj s VAL 64 Ca 0.04 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 1qkj s VAL 64 Cb -0.13 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1qkj s VAL 64 CO 0.02 0.49 0.60 -0.69 0.00 0.00 0.00 175.10 175.52 1qkj s VAL 65 N 0.80 5.00 0.82 2.92 1.01 0.90 0.29 120.40 132.14 1qkj s VAL 65 Ca -0.09 1.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 1qkj s VAL 65 Cb -0.16 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1qkj s VAL 65 CO 0.00 0.35 0.31 -0.46 0.00 0.00 0.00 175.10 175.30 1qkj n ASN 66 N 3.21 -2.15 -3.59 3.32 2.04 -0.58 -2.73 115.26 114.78 1qkj n ASN 66 Ca -0.05 0.46 -0.07 0.00 -0.44 0.00 0.00 54.58 54.48 1qkj n ASN 66 Cb 0.51 -1.14 -0.04 0.00 -2.53 0.00 0.00 39.78 36.58 1qkj n ASN 66 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1qkj s SER 67 N -1.57 -0.25 0.77 0.53 0.01 -1.26 -4.63 113.70 107.31 1qkj s SER 67 Ca 0.59 0.19 -0.12 0.00 1.31 0.00 0.00 55.95 57.93 1qkj s SER 67 Cb -0.29 0.22 0.06 0.00 0.21 0.00 0.00 66.02 66.21 1qkj s SER 67 CO 0.64 -0.28 1.15 -0.94 0.41 0.00 0.00 173.24 174.22 1qkj s SER 68 N -1.44 4.80 -0.22 2.44 1.04 -1.26 -4.78 113.70 114.28 1qkj s SER 68 Ca 0.04 0.88 0.15 0.00 0.48 0.00 0.00 55.95 57.49 1qkj s SER 68 Cb -0.01 -1.47 0.63 0.00 0.10 0.00 0.00 66.02 65.27 1qkj s SER 68 CO -0.03 -1.73 1.55 -0.38 0.98 0.00 0.00 173.24 173.63 1qkj n ILE 69 N -3.21 2.50 -2.06 -1.02 2.08 -1.26 -4.71 119.36 111.67 1qkj n ILE 69 Ca 0.08 -1.80 -0.42 0.00 0.56 0.00 0.00 62.75 61.17 1qkj n ILE 69 Cb 0.60 -0.28 -0.03 0.00 -0.75 0.00 0.00 39.64 39.18 1qkj n ILE 69 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1qkj s ASN 70 N -1.60 6.71 -0.68 4.38 2.47 -1.26 -4.97 114.94 119.98 1qkj s ASN 70 Ca 0.47 2.20 -0.16 0.00 0.42 0.00 0.00 52.86 55.78 1qkj s ASN 70 Cb 0.38 -2.54 0.15 0.00 -1.45 0.00 0.00 41.25 37.79 1qkj s ASN 70 CO 0.11 -0.88 0.69 -0.36 -3.72 0.00 0.00 177.10 172.93 1qkj s PHE 71 N 3.67 3.35 0.23 0.43 0.08 -1.26 -4.94 117.98 119.54 1qkj s PHE 71 Ca 0.71 -1.46 -0.31 0.00 0.12 0.00 0.00 56.93 55.98 1qkj s PHE 71 Cb -0.33 -3.90 -0.14 0.00 -0.57 0.00 0.00 43.02 38.09 1qkj s PHE 71 CO 0.28 -1.11 1.40 1.19 -0.10 0.00 0.00 175.22 176.88 1qkj n PHE 72 N 5.17 2.12 -0.83 0.36 3.01 -1.26 0.09 117.46 126.13 1qkj n PHE 72 Ca -0.01 0.44 0.00 0.00 1.01 0.00 0.00 57.45 58.89 1qkj n PHE 72 Cb 0.44 -2.45 0.00 0.00 -0.01 0.00 0.00 39.48 37.45 1qkj n PHE 72 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qkj n GLY 73 N 2.21 0.25 3.23 1.37 0.00 -1.26 -1.85 105.19 109.15 1qkj n GLY 73 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1qkj n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qkj n GLY 74 N -1.21 2.92 3.78 -0.02 0.00 0.11 -5.01 105.19 105.77 1qkj n GLY 74 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1qkj n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qkj s LYS 75 N -0.05 3.23 0.36 1.61 -2.85 -0.77 -4.91 119.74 116.36 1qkj s LYS 75 Ca 0.00 1.46 -0.26 0.00 -1.00 0.00 0.00 55.97 56.17 1qkj s LYS 75 Cb 0.00 -2.00 -0.12 0.00 -2.06 0.00 0.00 37.83 33.64 1qkj s LYS 75 CO 0.00 -0.92 0.99 -2.30 0.10 0.00 0.00 175.35 173.22 1qkj n PRO 76 N -1.71 1.33 -3.94 1.78 -0.02 -1.26 -4.26 135.00 126.92 1qkj n PRO 76 Ca 0.11 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 1qkj n PRO 76 Cb 0.52 -1.93 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 1qkj n PRO 76 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1qkj s ASN 77 N -0.65 4.63 0.36 2.55 3.84 -1.26 -4.94 114.94 119.46 1qkj s ASN 77 Ca 0.61 -1.12 0.09 0.00 0.21 0.00 0.00 52.86 52.65 1qkj s ASN 77 Cb -0.62 -1.68 0.68 0.00 -0.55 0.00 0.00 41.25 39.08 1qkj s ASN 77 CO 0.59 -0.20 1.84 -0.07 -2.79 0.00 0.00 177.10 176.46 1qkj h LEU 78 N 7.98 0.18 -0.15 3.21 -0.00 -1.96 -2.40 115.31 122.18 1qkj h LEU 78 Ca -0.25 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 1qkj h LEU 78 Cb 1.08 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1qkj h LEU 78 CO 0.54 0.45 0.09 0.00 -0.00 0.00 0.00 178.44 179.53 1qkj h ALA 79 N 1.57 0.18 0.43 1.53 0.00 -1.92 -1.56 119.26 119.49 1qkj h ALA 79 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1qkj h ALA 79 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1qkj h ALA 79 CO 0.04 -0.32 -0.21 0.82 0.00 0.00 0.00 179.25 179.58 1qkj h ILE 80 N 0.19 0.55 -0.34 0.00 2.04 -1.63 -2.60 117.51 115.71 1qkj h ILE 80 Ca 0.05 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1qkj h ILE 80 Cb -0.01 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1qkj h ILE 80 CO -0.01 0.06 -0.09 -0.07 0.00 0.00 0.00 178.15 178.04 1qkj h LEU 81 N -0.77 0.56 -0.33 1.44 3.38 -1.48 -0.68 115.31 117.42 1qkj h LEU 81 Ca -0.06 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1qkj h LEU 81 Cb 0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1qkj h LEU 81 CO 0.10 0.69 -0.20 0.28 0.09 0.00 0.00 178.44 179.40 1qkj h SER 82 N 0.54 0.75 -0.37 -0.43 0.02 -1.33 -1.78 113.55 110.95 1qkj h SER 82 Ca 0.10 -0.42 -0.14 0.00 -0.84 0.00 0.00 61.79 60.49 1qkj h SER 82 Cb 0.48 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1qkj h SER 82 CO 0.03 1.01 -0.33 0.00 -1.14 0.00 0.00 176.83 176.40 1qkj h ALA 83 N 0.77 0.54 -0.27 3.77 0.00 -1.32 -1.27 119.26 121.47 1qkj h ALA 83 Ca 0.07 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 1qkj h ALA 83 Cb 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1qkj h ALA 83 CO 0.06 0.60 -0.56 1.96 0.00 0.00 0.00 179.25 181.31 1qkj h GLN 84 N 0.68 0.86 -0.81 0.00 1.08 -1.19 0.14 115.11 115.87 1qkj h GLN 84 Ca 0.06 -0.56 -0.03 0.00 -1.45 0.00 0.00 58.65 56.67 1qkj h GLN 84 Cb 0.91 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.38 1qkj h GLN 84 CO 0.08 1.19 0.39 0.87 -0.95 0.00 0.00 178.83 180.42 1qkj h LYS 85 N 0.63 1.17 0.18 1.46 1.57 -1.35 0.19 116.57 120.42 1qkj h LYS 85 Ca 0.01 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1qkj h LYS 85 Cb 1.17 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1qkj h LYS 85 CO 0.12 0.90 -0.09 0.35 -0.57 0.00 0.00 179.45 180.17 1qkj h PHE 86 N 1.16 -0.22 -0.55 -1.35 3.57 -0.98 -3.17 116.94 115.40 1qkj h PHE 86 Ca 0.28 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 1qkj h PHE 86 Cb 0.11 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1qkj h PHE 86 CO 0.01 -0.02 0.15 0.52 -2.23 0.00 0.00 178.31 176.75 1qkj h MET 87 N -0.39 0.87 -0.91 1.11 2.86 -0.48 -3.11 114.93 114.88 1qkj h MET 87 Ca -0.02 -0.20 0.18 0.00 -2.06 0.00 0.00 59.70 57.60 1qkj h MET 87 Cb 0.30 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.77 1qkj h MET 87 CO 0.04 0.80 0.59 0.00 1.06 0.00 0.00 176.91 179.40 1qkj h ALA 88 N 1.03 2.04 -0.29 6.32 0.00 -0.66 -1.88 119.26 125.81 1qkj h ALA 88 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1qkj h ALA 88 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1qkj h ALA 88 CO -0.00 -0.32 0.00 0.36 0.00 0.00 0.00 179.25 179.29 1qkj n LYS 89 N -4.56 1.74 -3.26 0.00 2.85 -1.17 -4.59 118.16 109.17 1qkj n LYS 89 Ca 0.19 -1.14 -0.39 0.00 -1.05 0.00 0.00 58.31 55.93 1qkj n LYS 89 Cb 0.62 -1.29 -0.06 0.00 -0.65 0.00 0.00 35.03 33.65 1qkj n LYS 89 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1qkj s TYR 90 N -1.62 3.71 -0.38 5.58 5.04 -0.71 -4.77 117.35 124.19 1qkj s TYR 90 Ca 0.24 1.18 0.23 0.00 -2.44 0.00 0.00 57.07 56.28 1qkj s TYR 90 Cb 0.13 -2.54 0.22 0.00 0.35 0.00 0.00 41.96 40.11 1qkj s TYR 90 CO 0.18 0.43 1.35 0.87 -1.34 0.00 0.00 175.55 177.04 1qkj h LYS 91 N 5.34 0.00 0.00 4.97 1.57 -1.89 -3.43 116.57 123.13 1qkj h LYS 91 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1qkj h LYS 91 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1qkj h LYS 91 CO 0.68 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.99 1qkj n SER 92 N -2.81 0.48 -4.77 0.86 7.64 -1.26 -4.92 113.62 108.84 1qkj n SER 92 Ca 0.02 -0.89 -0.38 0.00 1.01 0.00 0.00 58.87 58.64 1qkj n SER 92 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1qkj n SER 92 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1qkj s LYS 93 N -1.49 4.09 -0.18 1.43 2.20 -1.26 -4.40 119.74 120.13 1qkj s LYS 93 Ca 0.00 1.74 -0.03 0.00 -0.36 0.00 0.00 55.97 57.31 1qkj s LYS 93 Cb 0.00 -2.64 -0.02 0.00 -1.51 0.00 0.00 37.83 33.66 1qkj s LYS 93 CO 0.00 -0.26 -0.05 0.42 -0.36 0.00 0.00 175.35 175.09 1qkj s ILE 94 N -1.48 3.57 -0.48 5.43 1.01 -0.47 -4.29 121.20 124.48 1qkj s ILE 94 Ca 0.57 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 1qkj s ILE 94 Cb -0.28 -2.58 0.05 0.00 0.01 0.00 0.00 42.46 39.67 1qkj s ILE 94 CO 0.35 0.47 0.54 -0.31 0.00 0.00 0.00 174.94 175.99 1qkj s TYR 95 N 0.79 3.12 -0.35 3.97 1.51 -0.26 0.55 117.35 126.69 1qkj s TYR 95 Ca -0.02 -0.59 -0.18 0.00 -1.01 0.00 0.00 57.07 55.27 1qkj s TYR 95 Cb -0.15 -3.33 -0.01 0.00 -0.11 0.00 0.00 41.96 38.37 1qkj s TYR 95 CO 0.02 -0.91 0.49 -0.47 -1.11 0.00 0.00 175.55 173.56 1qkj s TYR 96 N 2.31 3.19 -0.41 2.71 5.04 0.21 -0.53 117.35 129.87 1qkj s TYR 96 Ca 0.12 0.16 -0.26 0.00 -2.44 0.00 0.00 57.07 54.65 1qkj s TYR 96 Cb -0.20 -2.87 0.02 0.00 0.35 0.00 0.00 41.96 39.26 1qkj s TYR 96 CO 0.11 -0.51 0.97 -0.51 -1.34 0.00 0.00 175.55 174.27 1qkj s LEU 97 N 2.33 3.93 -0.88 6.97 1.43 0.14 -0.55 118.68 132.06 1qkj s LEU 97 Ca 0.18 0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 53.60 1qkj s LEU 97 Cb -0.16 -3.31 0.22 0.00 0.03 0.00 0.00 46.19 42.97 1qkj s LEU 97 CO 0.13 -0.98 0.85 0.12 0.23 0.00 0.00 176.35 176.69 1qkj s PHE 98 N 3.74 3.78 -0.13 0.29 5.36 0.04 -1.53 117.98 129.52 1qkj s PHE 98 Ca 0.40 -2.04 0.19 0.00 -0.96 0.00 0.00 56.93 54.52 1qkj s PHE 98 Cb -0.11 -3.86 -0.28 0.00 -0.34 0.00 0.00 43.02 38.43 1qkj s PHE 98 CO 0.23 -1.03 0.26 0.25 -1.46 0.00 0.00 175.22 173.47 1qkj n THR 99 N 3.93 0.88 -4.23 0.12 -2.24 -1.26 -1.20 114.28 110.29 1qkj n THR 99 Ca 0.16 -0.72 -0.33 0.00 -2.27 0.00 0.00 64.05 60.89 1qkj n THR 99 Cb 0.46 -0.32 -0.16 0.00 -2.10 0.00 0.00 70.33 68.22 1qkj n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qkj s ASP 100 N -5.16 3.29 0.14 3.42 2.15 -1.26 -4.94 116.67 114.31 1qkj s ASP 100 Ca -0.09 -0.60 0.09 0.00 0.43 0.00 0.00 52.55 52.38 1qkj s ASP 100 Cb 0.09 -1.51 0.50 0.00 -0.30 0.00 0.00 42.92 41.70 1qkj s ASP 100 CO 0.86 0.02 1.28 0.00 -0.17 0.00 0.00 175.17 177.16 1qkj n ILE 101 N 4.49 1.59 1.11 4.11 0.13 -1.26 -1.36 119.36 128.17 1qkj n ILE 101 Ca -0.20 0.60 0.12 0.00 -1.10 0.00 0.00 62.75 62.17 1qkj n ILE 101 Cb 0.50 -1.60 0.33 0.00 -0.84 0.00 0.00 39.64 38.03 1qkj n ILE 101 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1qkj n ARG 102 N -1.82 1.99 -2.90 9.51 1.74 -1.26 -4.57 116.66 119.35 1qkj n ARG 102 Ca -0.01 -1.46 -0.23 0.00 -0.77 0.00 0.00 57.85 55.38 1qkj n ARG 102 Cb 0.02 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1qkj n ARG 102 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1qkj n LEU 103 N 0.72 3.41 -4.62 0.55 4.77 -0.46 -4.87 117.00 116.50 1qkj n LEU 103 Ca 0.17 -5.29 -0.34 0.00 -0.03 0.00 0.00 56.01 50.53 1qkj n LEU 103 Cb 0.45 -0.16 0.12 0.00 -2.33 0.00 0.00 43.42 41.50 1qkj n LEU 103 CO 0.15 2.26 0.53 -2.65 -1.33 0.00 0.00 177.39 176.35 1qkj n PRO 104 N -0.15 0.11 -1.99 3.23 -0.02 -1.26 -4.07 135.00 130.85 1qkj n PRO 104 Ca 0.29 0.11 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 1qkj n PRO 104 Cb 0.54 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1qkj n PRO 104 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1qkj s PHE 105 N -2.15 2.72 -0.07 6.00 5.36 -1.26 -4.78 117.98 123.81 1qkj s PHE 105 Ca 0.70 1.37 -0.22 0.00 -0.96 0.00 0.00 56.93 57.81 1qkj s PHE 105 Cb -0.29 -3.74 0.05 0.00 -0.34 0.00 0.00 43.02 38.70 1qkj s PHE 105 CO 0.54 -2.32 0.51 0.45 -1.46 0.00 0.00 175.22 172.95 1qkj s SER 106 N -0.68 -0.46 -0.09 6.13 0.15 -1.26 -4.81 113.70 112.67 1qkj s SER 106 Ca 0.58 0.56 -0.21 0.00 0.70 0.00 0.00 55.95 57.58 1qkj s SER 106 Cb -0.39 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.45 1qkj s SER 106 CO 0.51 -0.46 0.61 -1.58 1.20 0.00 0.00 173.24 173.51 1qkj s GLN 107 N -0.94 4.39 0.12 5.44 2.00 -1.26 -4.97 119.66 124.45 1qkj s GLN 107 Ca -0.10 0.70 0.14 0.00 -2.00 0.00 0.00 55.36 54.10 1qkj s GLN 107 Cb -0.03 -3.45 -0.11 0.00 0.80 0.00 0.00 33.01 30.23 1qkj s GLN 107 CO 0.06 0.09 1.07 0.66 -0.50 0.00 0.00 175.29 176.67 1qkj h SER 108 N 6.76 0.00 -0.80 6.67 4.64 -1.96 -3.37 113.55 125.49 1qkj h SER 108 Ca -0.41 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.10 1qkj h SER 108 Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 1qkj h SER 108 CO 0.76 0.71 0.12 -0.25 -0.87 0.00 0.00 176.83 177.29 1qkj h TRP 109 N 0.00 0.15 -0.53 4.77 2.91 -1.95 -1.07 115.95 120.23 1qkj h TRP 109 Ca -0.11 0.05 0.11 0.00 1.13 0.00 0.00 58.89 60.07 1qkj h TRP 109 Cb 1.63 0.06 -0.10 0.00 -0.51 0.00 0.00 29.16 30.25 1qkj h TRP 109 CO 0.00 -0.20 -0.08 -1.35 -1.03 0.00 0.00 178.44 175.78 1qkj h PRO 110 N 0.17 0.04 0.00 2.65 0.11 -1.98 0.78 132.00 133.77 1qkj h PRO 110 Ca 0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1qkj h PRO 110 Cb 0.86 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1qkj h PRO 110 CO -0.63 0.03 0.00 0.09 -0.21 0.00 0.00 178.00 177.27 1qkj n ASN 111 N -5.32 0.00 -0.30 -2.05 3.02 -0.48 -3.40 115.26 106.73 1qkj n ASN 111 Ca 0.06 0.83 0.01 0.00 -0.03 0.00 0.00 54.58 55.45 1qkj n ASN 111 Cb 0.29 -0.33 0.08 0.00 -0.61 0.00 0.00 39.78 39.20 1qkj n ASN 111 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1qkj h VAL 112 N 0.00 0.11 -1.45 2.41 2.07 -1.19 0.32 116.25 118.52 1qkj h VAL 112 Ca 0.00 0.00 0.45 0.00 0.82 0.00 0.00 66.70 67.97 1qkj h VAL 112 Cb 0.00 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 29.77 1qkj h VAL 112 CO 0.00 0.00 0.98 0.50 0.02 0.00 0.00 177.57 179.07 1qkj h LYS 113 N -0.03 0.07 -0.01 1.57 3.64 0.54 -0.07 116.57 122.29 1qkj h LYS 113 Ca 0.37 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1qkj h LYS 113 Cb 0.61 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1qkj h LYS 113 CO -0.87 0.04 -0.73 0.09 -2.27 0.00 0.00 179.45 175.71 1qkj n ASN 114 N -4.46 1.31 -4.80 4.20 3.02 0.11 -4.87 115.26 109.78 1qkj n ASN 114 Ca 0.37 -1.16 -0.31 0.00 -0.03 0.00 0.00 54.58 53.46 1qkj n ASN 114 Cb 1.53 0.79 0.07 0.00 -0.61 0.00 0.00 39.78 41.56 1qkj n ASN 114 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1qkj s ARG 115 N -2.63 2.63 0.46 3.52 1.81 -0.04 -4.95 118.95 119.76 1qkj s ARG 115 Ca 0.11 1.06 0.21 0.00 -1.72 0.00 0.00 55.73 55.39 1qkj s ARG 115 Cb 0.15 -1.95 1.13 0.00 -0.45 0.00 0.00 34.95 33.83 1qkj s ARG 115 CO 0.69 -1.35 1.97 -1.00 -0.68 0.00 0.00 175.30 174.93 1qkj h PRO 116 N -0.89 0.00 -0.78 3.54 0.13 -1.93 -2.85 132.00 129.21 1qkj h PRO 116 Ca -0.44 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 1qkj h PRO 116 Cb 1.22 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 1qkj h PRO 116 CO 0.54 0.21 0.16 -2.67 -0.23 0.00 0.00 178.00 176.02 1qkj n TRP 117 N -3.85 1.85 -0.24 1.56 4.27 -1.26 -4.54 117.44 115.22 1qkj n TRP 117 Ca -0.02 -0.87 0.01 0.00 -3.89 0.00 0.00 57.50 52.73 1qkj n TRP 117 Cb 0.30 -0.54 0.13 0.00 -1.36 0.00 0.00 31.31 29.85 1qkj n TRP 117 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1qkj h ALA 118 N 2.79 0.96 -0.21 -1.67 0.00 -1.69 -2.59 119.26 116.86 1qkj h ALA 118 Ca 0.16 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1qkj h ALA 118 Cb 1.90 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1qkj h ALA 118 CO 0.53 -0.04 0.69 0.10 0.00 0.00 0.00 179.25 180.53 1qkj h TYR 119 N 0.60 0.00 0.00 0.00 -0.00 -1.87 0.14 116.97 115.85 1qkj h TYR 119 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.07 1qkj h TYR 119 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.08 1qkj h TYR 119 CO -0.11 0.00 0.00 -0.11 -0.00 0.00 0.00 178.16 177.94 1qkj n LEU 120 N -2.95 0.00 -4.31 0.10 -0.00 -0.98 -4.84 117.00 104.03 1qkj n LEU 120 Ca 0.04 0.38 -0.20 0.00 -0.00 0.00 0.00 56.01 56.23 1qkj n LEU 120 Cb 0.78 -0.38 -0.08 0.00 -0.00 0.00 0.00 43.42 43.74 1qkj n LEU 120 CO 0.13 -0.12 -0.14 -0.31 -0.00 0.00 0.00 177.39 176.95 1qkj s TYR 121 N -2.75 1.70 0.05 1.96 1.51 0.48 -5.19 117.35 115.12 1qkj s TYR 121 Ca 0.15 -1.58 -0.02 0.00 -1.01 0.00 0.00 57.07 54.61 1qkj s TYR 121 Cb 0.13 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 41.18 1qkj s TYR 121 CO 0.33 -0.76 -0.01 0.95 -1.11 0.00 0.00 175.55 174.95 1qkj s THR 122 N -3.48 0.21 0.10 -0.71 -4.23 -1.26 -5.00 115.64 101.26 1qkj s THR 122 Ca 0.38 -1.73 -0.20 0.00 -1.18 0.00 0.00 61.69 58.97 1qkj s THR 122 Cb 0.03 -1.48 -0.08 0.00 1.34 0.00 0.00 72.50 72.31 1qkj s THR 122 CO 0.24 -0.95 1.63 -0.08 -0.54 0.00 0.00 174.62 174.92 1qkj h GLU 123 N 3.13 0.33 -0.77 3.99 4.81 -1.97 -2.63 114.58 121.48 1qkj h GLU 123 Ca -0.34 -0.06 0.16 0.00 -0.13 0.00 0.00 59.36 58.99 1qkj h GLU 123 Cb 1.15 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.37 1qkj h GLU 123 CO 0.64 0.39 0.24 1.49 -0.73 0.00 0.00 179.01 181.05 1qkj h GLU 124 N 0.20 0.32 0.00 1.92 4.22 -1.97 0.25 114.58 119.51 1qkj h GLU 124 Ca 0.07 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.45 1qkj h GLU 124 Cb 0.19 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1qkj h GLU 124 CO -0.01 0.21 -0.22 1.49 -2.18 0.00 0.00 179.01 178.30 1qkj h GLU 125 N 0.33 0.00 0.00 1.92 4.81 -1.89 -3.36 114.58 116.39 1qkj h GLU 125 Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1qkj h GLU 125 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1qkj h GLU 125 CO -0.49 0.22 0.00 1.28 -0.73 0.00 0.00 179.01 179.29 1qkj n LEU 126 N -3.47 0.25 -4.57 1.64 4.77 -0.60 -4.15 117.00 110.87 1qkj n LEU 126 Ca -0.00 -0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 54.98 1qkj n LEU 126 Cb 0.40 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1qkj n LEU 126 CO 0.33 0.06 0.77 -0.22 -1.33 0.00 0.00 177.39 177.00 1qkj s LEU 127 N -1.25 3.98 -0.47 2.23 2.96 0.78 -4.48 118.68 122.43 1qkj s LEU 127 Ca 0.00 0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.82 1qkj s LEU 127 Cb 0.00 -3.23 0.02 0.00 0.50 0.00 0.00 46.19 43.49 1qkj s LEU 127 CO 0.00 -1.04 1.23 -0.63 -1.32 0.00 0.00 176.35 174.59 1qkj s ILE 128 N 3.77 4.09 -0.57 6.68 1.09 -1.26 -4.76 121.20 130.24 1qkj s ILE 128 Ca 0.38 1.10 0.23 0.00 -1.10 0.00 0.00 60.65 61.25 1qkj s ILE 128 Cb -0.10 -4.50 -0.13 0.00 -1.06 0.00 0.00 42.46 36.68 1qkj s ILE 128 CO 0.26 -0.97 0.99 0.29 -0.10 0.00 0.00 174.94 175.40 1qkj n LYS 129 N 7.99 0.32 -1.61 2.79 5.02 -1.26 -4.97 118.16 126.43 1qkj n LYS 129 Ca 0.13 -0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 56.06 1qkj n LYS 129 Cb 0.49 -1.60 0.08 0.00 -0.02 0.00 0.00 35.03 33.98 1qkj n LYS 129 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1qkj s SER 130 N -3.99 4.48 0.22 4.39 0.01 -1.26 -4.96 113.70 112.59 1qkj s SER 130 Ca 0.03 2.42 -0.30 0.00 1.31 0.00 0.00 55.95 59.41 1qkj s SER 130 Cb 0.14 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.69 1qkj s SER 130 CO 0.81 -2.07 1.07 -2.16 0.41 0.00 0.00 173.24 171.30 1qkj s PRO 131 N -3.68 4.66 -0.03 12.44 0.04 -1.26 -4.89 135.00 142.26 1qkj s PRO 131 Ca 0.77 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 63.50 1qkj s PRO 131 Cb -0.31 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1qkj s PRO 131 CO 0.42 0.20 0.05 0.42 0.04 0.00 0.00 177.00 178.13 1qkj s ILE 132 N -0.71 4.58 -0.29 0.56 1.01 -0.21 -1.37 121.20 124.77 1qkj s ILE 132 Ca 0.46 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1qkj s ILE 132 Cb -0.30 -3.04 0.06 0.00 0.01 0.00 0.00 42.46 39.20 1qkj s ILE 132 CO 0.36 0.44 -0.03 -0.75 0.00 0.00 0.00 174.94 174.96 1qkj s LYS 133 N -1.44 2.24 -0.07 2.79 2.47 0.19 -2.90 119.74 123.03 1qkj s LYS 133 Ca 0.19 -1.38 -0.26 0.00 -1.56 0.00 0.00 55.97 52.95 1qkj s LYS 133 Cb -0.12 -3.08 -0.03 0.00 -1.46 0.00 0.00 37.83 33.15 1qkj s LYS 133 CO 0.10 -0.65 0.84 0.08 0.16 0.00 0.00 175.35 175.88 1qkj s VAL 134 N 1.15 4.93 -0.28 4.02 1.01 0.02 0.64 120.40 131.90 1qkj s VAL 134 Ca -0.05 1.73 -0.05 0.00 0.00 0.00 0.00 61.98 63.61 1qkj s VAL 134 Cb -0.20 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.03 1qkj s VAL 134 CO -0.04 0.15 0.03 -0.63 0.00 0.00 0.00 175.10 174.61 1qkj s ILE 135 N 1.27 3.54 -0.16 2.22 1.01 0.29 -1.30 121.20 128.06 1qkj s ILE 135 Ca 0.43 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 60.06 1qkj s ILE 135 Cb -0.18 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1qkj s ILE 135 CO 0.20 0.11 0.49 -0.55 0.00 0.00 0.00 174.94 175.19 1qkj s SER 136 N 1.43 6.60 0.41 3.58 0.15 0.47 -0.78 113.70 125.55 1qkj s SER 136 Ca 0.01 0.72 0.28 0.00 0.70 0.00 0.00 55.95 57.66 1qkj s SER 136 Cb -0.17 -2.28 0.93 0.00 -1.71 0.00 0.00 66.02 62.79 1qkj s SER 136 CO -0.00 -0.09 1.80 -0.61 1.20 0.00 0.00 173.24 175.54 1qkj h GLN 137 N 7.12 0.00 -5.94 5.44 4.15 -1.24 -0.74 115.11 123.90 1qkj h GLN 137 Ca -0.37 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.43 1qkj h GLN 137 Cb 1.17 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.80 1qkj h GLN 137 CO 0.75 0.00 -0.29 0.20 -1.93 0.00 0.00 178.83 177.55 1qkj s GLY 138 N -3.96 2.36 0.02 2.39 0.00 -1.26 -4.23 107.32 102.64 1qkj s GLY 138 Ca 0.05 -0.38 0.19 0.00 0.00 0.00 0.00 44.72 44.58 1qkj s GLY 138 CO 0.55 -0.09 1.62 4.51 0.00 0.00 0.00 173.10 179.69 1qkj n ILE 139 N 1.60 0.70 -3.40 0.90 3.06 -0.39 -4.54 119.36 117.29 1qkj n ILE 139 Ca -0.14 0.16 -0.44 0.00 -2.50 0.00 0.00 62.75 59.83 1qkj n ILE 139 Cb 0.53 -0.86 -0.07 0.00 0.54 0.00 0.00 39.64 39.79 1qkj n ILE 139 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 1qkj s ASN 140 N -3.11 6.05 0.00 9.51 3.84 -1.26 -4.94 114.94 125.03 1qkj s ASN 140 Ca 0.09 -1.67 0.23 0.00 0.21 0.00 0.00 52.86 51.71 1qkj s ASN 140 Cb 0.12 -2.15 1.08 0.00 -0.55 0.00 0.00 41.25 39.76 1qkj s ASN 140 CO 0.36 -0.75 1.74 0.18 -2.79 0.00 0.00 177.10 175.84 1qkj n LEU 141 N 5.15 0.00 0.12 3.21 4.77 -1.26 -1.72 117.00 127.27 1qkj n LEU 141 Ca -0.12 0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 56.04 1qkj n LEU 141 Cb 0.41 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 40.99 1qkj n LEU 141 CO 0.49 -0.09 -0.15 0.44 -1.33 0.00 0.00 177.39 176.76 1qkj h ASP 142 N 0.00 0.57 -0.10 -1.43 3.32 -1.96 0.78 116.42 117.61 1qkj h ASP 142 Ca 0.00 -0.63 -0.09 0.00 0.02 0.00 0.00 57.03 56.34 1qkj h ASP 142 Cb 0.28 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1qkj h ASP 142 CO 0.00 1.49 -0.28 0.40 -1.72 0.00 0.00 179.24 179.13 1qkj h ILE 143 N 0.10 1.40 0.28 0.35 2.04 -1.86 0.75 117.51 120.56 1qkj h ILE 143 Ca -0.19 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 1qkj h ILE 143 Cb 2.05 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 40.31 1qkj h ILE 143 CO 0.23 0.47 -0.15 0.00 0.00 0.00 0.00 178.15 178.70 1qkj h ALA 144 N 0.48 -0.39 -0.97 1.87 0.00 -1.35 -0.81 119.26 118.10 1qkj h ALA 144 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qkj h ALA 144 Cb 0.90 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1qkj h ALA 144 CO 0.06 -0.72 0.61 -0.22 0.00 0.00 0.00 179.25 178.98 1qkj h LYS 145 N -0.40 1.30 -0.80 0.00 3.11 0.61 -2.66 116.57 117.73 1qkj h LYS 145 Ca -0.03 -0.10 -0.04 0.00 -2.81 0.00 0.00 60.65 57.67 1qkj h LYS 145 Cb 0.32 -0.28 -0.04 0.00 -1.00 0.00 0.00 32.23 31.23 1qkj h LYS 145 CO 0.05 0.89 0.35 0.00 -2.81 0.00 0.00 179.45 177.92 1qkj h ALA 146 N 1.35 1.04 0.00 5.00 0.00 0.94 -2.40 119.26 125.19 1qkj h ALA 146 Ca 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1qkj h ALA 146 Cb -0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 1qkj h ALA 146 CO -0.07 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 1qkj h ALA 147 N 1.18 1.66 -0.95 0.00 0.00 -0.80 -2.51 119.26 117.84 1qkj h ALA 147 Ca 0.27 -0.06 -0.65 0.00 0.00 0.00 0.00 54.91 54.47 1qkj h ALA 147 Cb 0.18 -0.01 -0.33 0.00 0.00 0.00 0.00 17.79 17.63 1qkj h ALA 147 CO -0.03 0.09 0.39 0.72 0.00 0.00 0.00 179.25 180.43 1qkj n HIS 148 N -4.14 3.10 0.49 0.00 8.25 -0.90 -4.70 115.22 117.32 1qkj n HIS 148 Ca -0.03 -2.77 -0.20 0.00 -0.26 0.00 0.00 57.72 54.47 1qkj n HIS 148 Cb 0.16 -1.09 -0.09 0.00 1.12 0.00 0.00 29.99 30.08 1qkj n HIS 148 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1qkj h LYS 149 N 2.16 -1.21 0.00 -0.41 1.63 -1.48 -3.22 116.57 114.03 1qkj h LYS 149 Ca 0.53 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.42 1qkj h LYS 149 Cb 0.93 0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1qkj h LYS 149 CO 1.34 -0.81 0.10 1.57 -3.45 0.00 0.00 179.45 178.20 1qkj h LYS 150 N -1.30 0.00 -5.11 1.90 2.10 -1.86 -3.41 116.57 108.87 1qkj h LYS 150 Ca -0.13 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.89 1qkj h LYS 150 Cb 0.97 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.12 1qkj h LYS 150 CO 0.21 0.00 -0.56 0.14 -2.00 0.00 0.00 179.45 177.24 1qkj s VAL 151 N -4.04 4.84 -0.07 0.07 -7.23 -1.22 -5.01 120.40 107.75 1qkj s VAL 151 Ca -0.04 -0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.20 1qkj s VAL 151 Cb 0.11 -3.23 -0.24 0.00 0.56 0.00 0.00 36.38 33.58 1qkj s VAL 151 CO 0.34 0.38 0.56 -0.90 -0.31 0.00 0.00 175.10 175.17 1qkj n ASP 152 N 4.21 1.21 0.00 4.85 5.68 -1.26 -4.17 116.55 127.07 1qkj n ASP 152 Ca -0.16 0.34 0.05 0.00 -0.50 0.00 0.00 54.79 54.52 1qkj n ASP 152 Cb 0.52 -0.26 0.29 0.00 -1.14 0.00 0.00 41.12 40.52 1qkj n ASP 152 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1qkj n ASN 153 N -3.16 0.00 -4.37 -1.12 6.94 -1.26 -4.39 115.26 107.89 1qkj n ASN 153 Ca -0.22 -0.42 -0.44 0.00 -0.02 0.00 0.00 54.58 53.49 1qkj n ASN 153 Cb 1.05 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.47 1qkj n ASN 153 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1qkj n VAL 154 N -0.92 4.37 0.64 3.53 0.31 -1.26 -1.04 118.33 123.96 1qkj n VAL 154 Ca 0.07 -4.89 0.13 0.00 -0.01 0.00 0.00 64.34 59.65 1qkj n VAL 154 Cb 0.03 -2.47 0.41 0.00 -0.91 0.00 0.00 33.84 30.91 1qkj n VAL 154 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1qkj n ILE 155 N 3.96 0.57 -4.56 2.52 -5.35 -1.14 -4.86 119.36 110.50 1qkj n ILE 155 Ca 0.34 -0.27 -0.21 0.00 -0.27 0.00 0.00 62.75 62.34 1qkj n ILE 155 Cb 0.41 -0.59 -0.15 0.00 -1.74 0.00 0.00 39.64 37.57 1qkj n ILE 155 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1qkj s GLU 156 N -3.10 1.02 -0.06 6.28 2.02 -1.17 -5.08 118.70 118.61 1qkj s GLU 156 Ca 0.11 -0.46 0.03 0.00 0.02 0.00 0.00 54.97 54.66 1qkj s GLU 156 Cb 0.13 -0.99 0.01 0.00 0.10 0.00 0.00 34.13 33.38 1qkj s GLU 156 CO 0.59 0.27 -0.14 -0.06 0.02 0.00 0.00 175.26 175.95 1qkj s PHE 157 N -0.32 1.52 -0.01 1.61 0.08 -1.26 -0.80 117.98 118.80 1qkj s PHE 157 Ca 0.05 -0.51 -0.06 0.00 0.12 0.00 0.00 56.93 56.52 1qkj s PHE 157 Cb -0.05 -1.08 0.00 0.00 -0.57 0.00 0.00 43.02 41.33 1qkj s PHE 157 CO -0.00 -0.24 0.12 -2.00 -0.10 0.00 0.00 175.22 173.00 1qkj s GLU 158 N 0.44 0.38 -0.08 0.44 2.12 -0.42 -4.98 118.70 116.59 1qkj s GLU 158 Ca -0.11 -0.27 -0.14 0.00 0.36 0.00 0.00 54.97 54.82 1qkj s GLU 158 Cb -0.14 0.16 -0.05 0.00 0.26 0.00 0.00 34.13 34.36 1qkj s GLU 158 CO 0.03 -0.08 0.34 -0.47 -0.54 0.00 0.00 175.26 174.54 1qkj s TYR 159 N -1.00 3.60 -0.29 5.30 5.04 -1.26 0.18 117.35 128.92 1qkj s TYR 159 Ca -0.11 0.79 -0.14 0.00 -2.44 0.00 0.00 57.07 55.16 1qkj s TYR 159 Cb -0.06 -2.29 0.10 0.00 0.35 0.00 0.00 41.96 40.06 1qkj s TYR 159 CO 0.01 0.47 0.70 0.12 -1.34 0.00 0.00 175.55 175.51 1qkj s PHE 160 N -0.37 -1.12 -1.01 4.97 5.36 -0.29 -4.88 117.98 120.65 1qkj s PHE 160 Ca 0.20 2.13 -0.18 0.00 -0.96 0.00 0.00 56.93 58.13 1qkj s PHE 160 Cb -0.15 0.67 -0.09 0.00 -0.34 0.00 0.00 43.02 43.11 1qkj s PHE 160 CO 0.09 -0.55 2.07 -0.35 -1.46 0.00 0.00 175.22 175.01 1qkj n PRO 161 N 4.62 2.02 -0.27 10.12 -0.04 -1.26 -3.77 135.00 146.41 1qkj n PRO 161 Ca -0.18 -2.03 0.09 0.00 -0.04 0.00 0.00 63.50 61.34 1qkj n PRO 161 Cb 0.56 -2.97 0.23 0.00 -0.04 0.00 0.00 33.50 31.28 1qkj n PRO 161 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1qkj h ILE 162 N 4.18 0.46 0.00 0.52 2.04 -1.88 -2.57 117.51 120.27 1qkj h ILE 162 Ca 0.49 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.25 1qkj h ILE 162 Cb 0.59 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1qkj h ILE 162 CO 1.89 0.05 0.00 -1.84 0.00 0.00 0.00 178.15 178.25 1qkj n GLU 163 N -5.15 0.14 0.00 2.37 0.00 -1.26 -2.43 120.64 114.31 1qkj n GLU 163 Ca 0.17 0.14 0.16 0.00 0.00 0.00 0.00 57.16 57.63 1qkj n GLU 163 Cb 0.54 -1.50 0.88 0.00 0.00 0.00 0.00 31.44 31.37 1qkj n GLU 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1qkj n GLN 164 N -1.19 0.80 -0.20 3.44 6.02 -0.97 -3.62 117.38 121.66 1qkj n GLN 164 Ca 0.04 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.04 1qkj n GLN 164 Cb 0.04 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 29.90 1qkj n GLN 164 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 1qkj h TYR 165 N 0.00 -0.04 -0.57 1.08 -0.00 -1.72 -2.04 116.97 113.68 1qkj h TYR 165 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 58.73 58.89 1qkj h TYR 165 Cb 0.10 0.11 -0.11 0.00 0.00 0.00 0.00 36.73 36.83 1qkj h TYR 165 CO 0.00 -0.16 -0.21 0.87 -0.00 0.00 0.00 178.16 178.66 1qkj h LYS 166 N 0.12 -0.06 0.00 0.10 1.57 -1.87 0.45 116.57 116.87 1qkj h LYS 166 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1qkj h LYS 166 Cb 0.51 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1qkj h LYS 166 CO -0.52 -0.04 0.00 0.44 -0.57 0.00 0.00 179.45 178.76 1qkj n ILE 167 N -5.43 0.58 0.33 1.86 -5.35 -0.82 -3.47 119.36 107.07 1qkj n ILE 167 Ca 0.06 0.11 0.11 0.00 -0.27 0.00 0.00 62.75 62.75 1qkj n ILE 167 Cb 0.33 -0.80 -0.15 0.00 -1.74 0.00 0.00 39.64 37.28 1qkj n ILE 167 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1qkj n HIS 168 N -1.65 0.00 -1.66 4.28 8.25 0.15 -4.89 115.22 119.70 1qkj n HIS 168 Ca 0.05 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.07 1qkj n HIS 168 Cb 0.26 -0.33 -0.02 0.00 1.12 0.00 0.00 29.99 31.03 1qkj n HIS 168 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1qkj n MET 169 N -2.00 1.87 0.32 -0.41 2.81 -0.57 -4.87 117.12 114.26 1qkj n MET 169 Ca -0.01 0.66 0.20 0.00 -1.81 0.00 0.00 57.70 56.74 1qkj n MET 169 Cb 0.49 -2.21 1.04 0.00 -0.71 0.00 0.00 33.22 31.83 1qkj n MET 169 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1qkj h ASN 170 N 2.93 0.00 -0.25 7.83 -0.26 -1.93 -2.35 115.58 121.55 1qkj h ASN 170 Ca -0.44 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 1qkj h ASN 170 Cb 1.30 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.56 1qkj h ASN 170 CO 0.66 0.01 0.00 -0.90 -1.06 0.00 0.00 177.43 176.14 1qkj n ASP 171 N -3.20 1.57 -4.77 5.81 5.68 -1.26 -4.95 116.55 115.43 1qkj n ASP 171 Ca -0.02 -1.88 -0.41 0.00 -0.50 0.00 0.00 54.79 51.98 1qkj n ASP 171 Cb 0.14 -0.17 -0.01 0.00 -1.14 0.00 0.00 41.12 39.94 1qkj n ASP 171 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1qkj s PHE 172 N -1.67 2.79 -0.02 2.11 5.36 -0.89 -5.04 117.98 120.63 1qkj s PHE 172 Ca 0.24 1.26 -0.21 0.00 -0.96 0.00 0.00 56.93 57.26 1qkj s PHE 172 Cb 0.13 -3.88 0.04 0.00 -0.34 0.00 0.00 43.02 38.97 1qkj s PHE 172 CO 0.18 -2.53 0.46 1.14 -1.46 0.00 0.00 175.22 173.01 1qkj s GLN 173 N -1.89 0.85 0.32 10.12 -2.07 -1.26 -5.10 119.66 120.62 1qkj s GLN 173 Ca 0.52 -0.06 -0.27 0.00 -1.82 0.00 0.00 55.36 53.73 1qkj s GLN 173 Cb -0.44 0.39 -0.10 0.00 -1.09 0.00 0.00 33.01 31.78 1qkj s GLN 173 CO 0.58 -0.26 0.98 -0.51 -1.32 0.00 0.00 175.29 174.77 1qkj s LEU 174 N -1.39 4.38 0.50 2.60 1.43 -1.26 -5.00 118.68 119.94 1qkj s LEU 174 Ca -0.11 1.95 -0.23 0.00 -1.03 0.00 0.00 54.13 54.70 1qkj s LEU 174 Cb -0.03 -3.93 -0.06 0.00 0.03 0.00 0.00 46.19 42.20 1qkj s LEU 174 CO 0.05 -0.12 1.33 -0.44 0.23 0.00 0.00 176.35 177.41 1qkj s SER 175 N -1.44 5.66 0.50 2.29 0.01 0.17 -4.99 113.70 115.89 1qkj s SER 175 Ca 0.49 2.70 -0.05 0.00 1.31 0.00 0.00 55.95 60.40 1qkj s SER 175 Cb -0.22 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.35 1qkj s SER 175 CO 0.28 -1.30 0.80 -0.54 0.41 0.00 0.00 173.24 172.88 1qkj s LYS 176 N -2.71 3.44 -0.06 12.44 3.01 -1.26 -4.52 119.74 130.07 1qkj s LYS 176 Ca 0.67 0.15 -0.32 0.00 -1.01 0.00 0.00 55.97 55.45 1qkj s LYS 176 Cb -0.39 -2.37 -0.10 0.00 -1.01 0.00 0.00 37.83 33.97 1qkj s LYS 176 CO 0.47 -0.28 1.97 -2.30 0.51 0.00 0.00 175.35 175.72 1qkj n PRO 177 N -2.30 2.40 -4.30 -1.68 -0.02 -1.26 -4.64 135.00 123.20 1qkj n PRO 177 Ca 0.01 0.86 -0.23 0.00 -2.02 0.00 0.00 63.50 62.12 1qkj n PRO 177 Cb 0.56 -2.85 -0.07 0.00 -0.02 0.00 0.00 33.50 31.11 1qkj n PRO 177 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1qkj s THR 178 N 4.80 3.40 0.03 3.45 -4.23 -1.26 -5.09 115.64 116.74 1qkj s THR 178 Ca 0.93 -1.92 -0.30 0.00 -1.18 0.00 0.00 61.69 59.21 1qkj s THR 178 Cb -0.56 -2.81 -0.06 0.00 1.34 0.00 0.00 72.50 70.41 1qkj s THR 178 CO 0.46 -0.36 1.34 -0.75 -0.54 0.00 0.00 174.62 174.77 1qkj s LYS 179 N -3.62 4.32 0.19 3.99 2.20 -1.26 -4.98 119.74 120.58 1qkj s LYS 179 Ca 0.31 1.93 -0.30 0.00 -0.36 0.00 0.00 55.97 57.55 1qkj s LYS 179 Cb -0.06 -3.45 -0.08 0.00 -1.51 0.00 0.00 37.83 32.73 1qkj s LYS 179 CO 0.19 -0.47 1.06 0.15 -0.36 0.00 0.00 175.35 175.92 1qkj s LYS 180 N 1.82 4.65 0.00 4.03 -0.14 -1.26 -4.78 119.74 124.06 1qkj s LYS 180 Ca 0.62 1.66 0.00 0.00 -1.36 0.00 0.00 55.97 56.89 1qkj s LYS 180 Cb -0.32 -3.28 0.00 0.00 -1.68 0.00 0.00 37.83 32.55 1qkj s LYS 180 CO 0.27 0.17 0.03 0.25 -0.76 0.00 0.00 175.35 175.31 1qkj n THR 181 N 2.15 0.00 -4.13 2.17 -2.24 -0.16 -5.05 114.28 107.02 1qkj n THR 181 Ca 0.01 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1qkj n THR 181 Cb 0.46 1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 69.88 1qkj n THR 181 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qkj s LEU 182 N -0.20 2.43 -0.21 3.22 1.43 -0.84 -5.01 118.68 119.50 1qkj s LEU 182 Ca 0.00 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 52.07 1qkj s LEU 182 Cb 0.00 -0.09 -0.13 0.00 0.03 0.00 0.00 46.19 46.01 1qkj s LEU 182 CO 0.00 -0.39 -0.07 0.47 0.23 0.00 0.00 176.35 176.59 1qkj n ASP 183 N 0.42 1.88 -4.00 2.29 8.00 -0.46 -1.78 116.55 122.90 1qkj n ASP 183 Ca -0.15 0.44 -0.17 0.00 0.71 0.00 0.00 54.79 55.62 1qkj n ASP 183 Cb 0.59 -0.89 -0.14 0.00 -0.02 0.00 0.00 41.12 40.66 1qkj n ASP 183 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qkj s VAL 184 N -2.43 0.56 0.08 2.53 1.01 -1.13 -1.01 120.40 120.02 1qkj s VAL 184 Ca -0.28 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1qkj s VAL 184 Cb 0.07 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 1qkj s VAL 184 CO 0.47 0.08 -0.09 -0.51 0.00 0.00 0.00 175.10 175.05 1qkj s ILE 185 N -0.34 0.78 -0.28 2.22 2.07 -0.93 -2.73 121.20 121.99 1qkj s ILE 185 Ca 0.01 -1.56 -0.12 0.00 -1.41 0.00 0.00 60.65 57.57 1qkj s ILE 185 Cb -0.04 -1.24 0.10 0.00 0.13 0.00 0.00 42.46 41.41 1qkj s ILE 185 CO -0.00 -0.59 0.63 -0.47 -1.91 0.00 0.00 174.94 172.60 1qkj s TYR 186 N -2.45 -1.15 -0.05 3.50 6.14 -1.02 -2.16 117.35 120.17 1qkj s TYR 186 Ca 0.03 2.13 0.05 0.00 0.64 0.00 0.00 57.07 59.92 1qkj s TYR 186 Cb -0.03 0.67 -0.02 0.00 0.42 0.00 0.00 41.96 43.00 1qkj s TYR 186 CO -0.01 -0.58 -0.19 0.20 0.64 0.00 0.00 175.55 175.61 1qkj s GLY 187 N 2.27 1.42 0.00 8.97 0.00 -1.26 -2.05 107.32 116.68 1qkj s GLY 187 Ca -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1qkj s GLY 187 CO -0.19 -0.76 0.00 0.61 0.00 0.00 0.00 173.10 172.77 1qkj n GLY 188 N 2.52 -1.23 0.00 0.20 0.00 -0.93 -5.00 105.19 100.75 1qkj n GLY 188 Ca -0.17 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1qkj n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qkj n SER 189 N 2.03 0.56 0.08 1.61 3.41 -1.26 -1.81 113.62 118.24 1qkj n SER 189 Ca 0.00 -0.74 0.13 0.00 -0.26 0.00 0.00 58.87 58.00 1qkj n SER 189 Cb 0.00 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.26 1qkj n SER 189 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1qkj n PHE 190 N -0.53 0.73 -2.54 7.33 7.35 -1.26 -4.63 117.46 123.90 1qkj n PHE 190 Ca 0.00 0.21 -0.19 0.00 -0.76 0.00 0.00 57.45 56.71 1qkj n PHE 190 Cb 0.00 -0.79 -0.00 0.00 0.35 0.00 0.00 39.48 39.04 1qkj n PHE 190 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1qkj n ARG 191 N -2.16 -2.37 -2.30 -4.13 1.74 -1.26 -1.84 116.66 104.33 1qkj n ARG 191 Ca 0.05 0.86 -0.19 0.00 -0.77 0.00 0.00 57.85 57.80 1qkj n ARG 191 Cb 0.43 -5.54 -0.02 0.00 -1.02 0.00 0.00 32.46 26.31 1qkj n ARG 191 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1qkj n SER 192 N -2.04 -5.37 0.00 0.55 7.64 -1.26 -1.68 113.62 111.46 1qkj n SER 192 Ca -0.19 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1qkj n SER 192 Cb 0.65 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 1qkj n SER 192 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qkj n GLY 193 N -0.89 1.05 0.03 0.23 0.00 -0.77 -4.93 105.19 99.91 1qkj n GLY 193 Ca -0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.82 1qkj n GLY 193 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1qkj n GLN 194 N -2.00 0.02 -0.53 1.61 -0.06 -0.68 -2.70 117.38 113.05 1qkj n GLN 194 Ca 0.00 0.51 0.00 0.00 -2.00 0.00 0.00 57.00 55.51 1qkj n GLN 194 Cb 0.00 -1.59 0.00 0.00 -4.06 0.00 0.00 30.24 24.59 1qkj n GLN 194 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1qkj n ARG 195 N -1.61 0.00 -0.31 3.69 0.63 -1.26 -4.65 116.66 113.16 1qkj n ARG 195 Ca -0.00 -0.82 0.11 0.00 -0.92 0.00 0.00 57.85 56.21 1qkj n ARG 195 Cb 0.02 -0.38 0.28 0.00 0.45 0.00 0.00 32.46 32.83 1qkj n ARG 195 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1qkj h GLU 196 N 0.02 0.54 -0.38 -0.14 4.81 -1.81 -2.46 114.58 115.16 1qkj h GLU 196 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1qkj h GLU 196 Cb 1.33 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1qkj h GLU 196 CO 0.00 0.36 0.19 1.03 -0.73 0.00 0.00 179.01 179.85 1qkj h SER 197 N 0.56 0.50 -0.61 1.04 0.87 -1.92 -1.56 113.55 112.42 1qkj h SER 197 Ca 0.52 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.89 1qkj h SER 197 Cb 0.87 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1qkj h SER 197 CO -0.43 0.48 0.12 0.11 -0.53 0.00 0.00 176.83 176.58 1qkj h LYS 198 N 0.48 1.00 -0.24 2.24 1.79 -1.87 0.14 116.57 120.11 1qkj h LYS 198 Ca 0.13 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 1qkj h LYS 198 Cb 0.11 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1qkj h LYS 198 CO -0.02 0.93 0.04 0.52 -1.08 0.00 0.00 179.45 179.83 1qkj h MET 199 N 0.91 0.41 -0.21 3.15 2.86 -1.34 -1.31 114.93 119.40 1qkj h MET 199 Ca 0.19 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1qkj h MET 199 Cb 0.39 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1qkj h MET 199 CO 0.01 0.54 -0.05 0.28 1.06 0.00 0.00 176.91 178.75 1qkj h VAL 200 N 0.21 1.28 -0.30 -2.22 2.07 -1.27 0.18 116.25 116.19 1qkj h VAL 200 Ca 0.07 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.63 1qkj h VAL 200 Cb 0.33 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 1qkj h VAL 200 CO 0.01 0.31 -0.39 -0.08 0.02 0.00 0.00 177.57 177.44 1qkj h GLU 201 N 0.13 -0.35 0.00 1.57 4.22 -0.67 -2.71 114.58 116.77 1qkj h GLU 201 Ca 0.05 0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.42 1qkj h GLU 201 Cb 0.49 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1qkj h GLU 201 CO 0.02 -0.23 -1.19 0.74 -2.18 0.00 0.00 179.01 176.17 1qkj h PHE 202 N -0.36 0.00 0.00 0.92 0.04 -1.20 -3.38 116.94 112.96 1qkj h PHE 202 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1qkj h PHE 202 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1qkj h PHE 202 CO -0.54 0.33 -0.68 1.28 -0.60 0.00 0.00 178.31 178.09 1qkj n LEU 203 N -2.82 0.29 -4.77 1.54 4.77 0.61 -4.93 117.00 111.70 1qkj n LEU 203 Ca -0.05 -0.36 -0.31 0.00 -0.03 0.00 0.00 56.01 55.26 1qkj n LEU 203 Cb 0.71 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.73 1qkj n LEU 203 CO 0.41 0.07 -0.27 -0.36 -1.33 0.00 0.00 177.39 175.92 1qkj s PHE 204 N -2.03 3.20 -1.52 -1.77 0.40 -1.03 -3.66 117.98 111.56 1qkj s PHE 204 Ca 0.01 0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.32 1qkj s PHE 204 Cb 0.06 -1.64 0.08 0.00 0.51 0.00 0.00 43.02 42.03 1qkj s PHE 204 CO 0.35 0.52 0.92 -0.25 0.70 0.00 0.00 175.22 177.47 1qkj n ASP 205 N 0.66 -4.17 -0.02 1.36 8.00 0.18 -4.83 116.55 117.73 1qkj n ASP 205 Ca -0.10 -0.81 0.02 0.00 0.71 0.00 0.00 54.79 54.61 1qkj n ASP 205 Cb 0.52 -3.77 -0.14 0.00 -0.02 0.00 0.00 41.12 37.71 1qkj n ASP 205 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1qkj n THR 206 N -4.61 0.71 -0.12 -3.53 -2.24 -1.26 -4.97 114.28 98.27 1qkj n THR 206 Ca 0.00 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1qkj n THR 206 Cb 0.54 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1qkj n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qkj n GLY 207 N 1.43 1.29 3.98 3.38 0.00 -1.26 -4.97 105.19 109.04 1qkj n GLY 207 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1qkj n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qkj s LEU 208 N 0.00 4.00 -0.67 0.99 1.43 -1.26 -5.05 118.68 118.12 1qkj s LEU 208 Ca 0.00 -0.04 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 1qkj s LEU 208 Cb 0.00 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.41 1qkj s LEU 208 CO 0.00 -0.39 1.12 0.21 0.23 0.00 0.00 176.35 177.52 1qkj s ASN 209 N -4.13 6.23 0.02 2.29 2.47 -1.26 -5.01 114.94 115.54 1qkj s ASN 209 Ca 0.43 -0.53 0.07 0.00 0.42 0.00 0.00 52.86 53.25 1qkj s ASN 209 Cb -0.09 -2.50 -0.02 0.00 -1.45 0.00 0.00 41.25 37.19 1qkj s ASN 209 CO 0.32 -1.59 -0.20 -0.63 -3.72 0.00 0.00 177.10 171.29 1qkj s ILE 210 N 4.88 1.57 0.11 -5.21 1.01 -1.26 -1.35 121.20 120.95 1qkj s ILE 210 Ca 0.31 -1.04 0.09 0.00 0.00 0.00 0.00 60.65 60.02 1qkj s ILE 210 Cb -0.11 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1qkj s ILE 210 CO 0.15 0.28 -0.24 -0.70 0.00 0.00 0.00 174.94 174.44 1qkj s GLU 211 N -0.90 1.26 -0.37 2.79 2.12 -1.11 -0.22 118.70 122.29 1qkj s GLU 211 Ca 0.07 -1.23 0.00 0.00 0.36 0.00 0.00 54.97 54.17 1qkj s GLU 211 Cb -0.08 -1.62 0.12 0.00 0.26 0.00 0.00 34.13 32.81 1qkj s GLU 211 CO 0.01 0.38 0.17 0.12 -0.54 0.00 0.00 175.26 175.40 1qkj s PHE 212 N -1.10 1.70 -0.02 5.30 2.19 0.29 -2.42 117.98 123.91 1qkj s PHE 212 Ca 0.10 -2.00 -0.19 0.00 0.33 0.00 0.00 56.93 55.17 1qkj s PHE 212 Cb -0.10 -1.69 -0.05 0.00 -1.31 0.00 0.00 43.02 39.87 1qkj s PHE 212 CO 0.05 -0.83 0.52 -0.59 1.83 0.00 0.00 175.22 176.20 1qkj s PHE 213 N 1.05 3.67 -5.00 10.12 -0.71 -0.87 -2.06 117.98 124.17 1qkj s PHE 213 Ca 0.14 1.09 0.00 0.00 -1.04 0.00 0.00 56.93 57.12 1qkj s PHE 213 Cb -0.21 -2.51 0.00 0.00 -1.21 0.00 0.00 43.02 39.09 1qkj s PHE 213 CO -0.12 0.40 0.00 0.41 -1.34 0.00 0.00 175.22 174.58 1qkj n GLY 214 N 2.41 0.00 0.94 1.99 0.00 -1.11 -2.19 105.19 107.24 1qkj n GLY 214 Ca -0.09 -1.32 0.06 0.00 0.00 0.00 0.00 46.02 44.67 1qkj n GLY 214 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qkj n ASN 215 N 0.00 2.71 -4.79 1.61 3.02 -0.75 -2.80 115.26 114.27 1qkj n ASN 215 Ca 0.00 -2.16 -0.39 0.00 -0.03 0.00 0.00 54.58 52.00 1qkj n ASN 215 Cb 0.00 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 38.73 1qkj n ASN 215 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qkj s ALA 216 N -1.61 3.54 0.11 5.41 0.00 -1.22 -4.31 121.76 123.68 1qkj s ALA 216 Ca 0.29 0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.36 1qkj s ALA 216 Cb 0.18 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1qkj s ALA 216 CO 0.16 0.29 -0.22 1.03 0.00 0.00 0.00 175.76 177.02 1qkj s ARG 217 N -0.64 1.19 0.26 0.00 0.52 -1.26 -4.84 118.95 114.19 1qkj s ARG 217 Ca 0.30 -1.20 -0.05 0.00 -0.52 0.00 0.00 55.73 54.26 1qkj s ARG 217 Cb -0.19 -1.51 0.32 0.00 0.52 0.00 0.00 34.95 34.10 1qkj s ARG 217 CO 0.18 0.35 1.93 1.49 0.02 0.00 0.00 175.30 179.27 1qkj h GLU 218 N 4.05 1.25 0.00 3.54 4.81 -1.97 -2.63 114.58 123.64 1qkj h GLU 218 Ca -0.47 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1qkj h GLU 218 Cb 1.18 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1qkj h GLU 218 CO 0.40 0.83 0.13 1.57 -0.73 0.00 0.00 179.01 181.20 1qkj h LYS 219 N 1.29 0.00 0.00 1.92 2.10 -2.04 -0.07 116.57 119.77 1qkj h LYS 219 Ca 0.37 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.99 1qkj h LYS 219 Cb -0.10 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.23 1qkj h LYS 219 CO -0.09 0.00 -0.10 1.96 -2.00 0.00 0.00 179.45 179.22 1qkj h GLN 220 N 0.00 0.00 -4.98 0.07 4.20 -1.90 -3.39 115.11 109.11 1qkj h GLN 220 Ca 0.00 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.99 1qkj h GLN 220 Cb 0.26 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.89 1qkj h GLN 220 CO 0.00 0.10 1.63 1.19 -0.67 0.00 0.00 178.83 181.08 1qkj n PHE 221 N -3.13 4.80 -1.90 2.96 3.01 -0.04 -4.59 117.46 118.57 1qkj n PHE 221 Ca 0.03 -3.20 0.04 0.00 1.01 0.00 0.00 57.45 55.33 1qkj n PHE 221 Cb 0.54 -2.30 0.06 0.00 -0.01 0.00 0.00 39.48 37.78 1qkj n PHE 221 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1qkj n LYS 222 N 6.28 0.47 -3.03 -1.08 2.85 -1.26 -5.00 118.16 117.39 1qkj n LYS 222 Ca 0.40 -1.91 -0.41 0.00 -1.05 0.00 0.00 58.31 55.34 1qkj n LYS 222 Cb 0.43 -0.71 -0.06 0.00 -0.65 0.00 0.00 35.03 34.04 1qkj n LYS 222 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1qkj s ASN 223 N -1.96 6.59 0.55 -5.58 3.84 -1.26 -4.94 114.94 112.18 1qkj s ASN 223 Ca 0.21 0.58 0.27 0.00 0.21 0.00 0.00 52.86 54.13 1qkj s ASN 223 Cb 0.21 -2.37 1.44 0.00 -0.55 0.00 0.00 41.25 39.99 1qkj s ASN 223 CO -0.05 -0.53 1.97 1.55 -2.79 0.00 0.00 177.10 177.25 1qkj h PRO 224 N 8.11 0.00 0.00 0.43 0.13 -2.02 0.02 132.00 138.67 1qkj h PRO 224 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1qkj h PRO 224 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1qkj h PRO 224 CO 0.84 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.48 1qkj h LYS 225 N 0.00 0.00 -2.72 0.86 1.57 -2.04 -3.33 116.57 110.91 1qkj h LYS 225 Ca 0.26 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.44 1qkj h LYS 225 Cb 1.12 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.04 1qkj h LYS 225 CO -0.00 0.00 -0.79 0.71 -0.57 0.00 0.00 179.45 178.80 1qkj s TYR 226 N -3.51 2.20 0.40 -1.35 2.02 -0.01 -5.10 117.35 112.01 1qkj s TYR 226 Ca 0.02 -2.75 -0.13 0.00 -0.37 0.00 0.00 57.07 53.84 1qkj s TYR 226 Cb 0.09 -1.75 -0.07 0.00 -0.40 0.00 0.00 41.96 39.83 1qkj s TYR 226 CO 0.46 -0.71 0.80 -2.14 -1.57 0.00 0.00 175.55 172.40 1qkj s PRO 227 N -0.54 3.87 0.19 -1.71 0.02 -1.25 -4.55 135.00 131.02 1qkj s PRO 227 Ca 0.28 0.60 -0.16 0.00 0.02 0.00 0.00 61.00 61.75 1qkj s PRO 227 Cb -0.02 -2.36 0.02 0.00 0.02 0.00 0.00 34.50 32.16 1qkj s PRO 227 CO -0.17 -0.03 0.48 1.67 -0.33 0.00 0.00 177.00 178.62 1qkj s TRP 228 N -2.32 0.01 0.00 6.54 1.48 -1.26 -5.03 118.94 118.37 1qkj s TRP 228 Ca 0.53 -0.37 0.00 0.00 -1.06 0.00 0.00 56.10 55.21 1qkj s TRP 228 Cb -0.10 0.30 0.00 0.00 -1.16 0.00 0.00 33.47 32.50 1qkj s TRP 228 CO 0.28 -0.89 0.00 2.41 -4.06 0.00 0.00 176.95 174.69 1qkj n THR 229 N -0.32 0.00 -3.85 0.66 -1.04 -1.26 -4.99 114.28 103.49 1qkj n THR 229 Ca -0.09 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.56 1qkj n THR 229 Cb 0.62 -0.89 -0.13 0.00 -1.82 0.00 0.00 70.33 68.11 1qkj n THR 229 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1qkj s LYS 230 N -1.94 2.38 0.44 -2.82 1.02 -1.26 -5.01 119.74 112.55 1qkj s LYS 230 Ca 0.00 -1.37 -0.13 0.00 0.02 0.00 0.00 55.97 54.50 1qkj s LYS 230 Cb 0.00 -3.33 -0.07 0.00 -0.52 0.00 0.00 37.83 33.91 1qkj s LYS 230 CO 0.00 -0.73 0.84 0.00 -0.92 0.00 0.00 175.35 174.54 1qkj s ALA 231 N 1.26 3.26 1.08 5.17 0.00 -1.26 0.51 121.76 131.77 1qkj s ALA 231 Ca -0.02 -0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 1qkj s ALA 231 Cb -0.20 -2.84 0.23 0.00 0.00 0.00 0.00 23.12 20.31 1qkj s ALA 231 CO -0.01 -0.07 1.16 -1.25 0.00 0.00 0.00 175.76 175.59 1qkj s PRO 232 N -3.88 -0.21 -0.27 0.00 0.04 -1.24 -4.91 135.00 124.52 1qkj s PRO 232 Ca 0.54 0.00 -0.27 0.00 0.04 0.00 0.00 61.00 61.30 1qkj s PRO 232 Cb -0.10 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.74 1qkj s PRO 232 CO 0.31 -3.05 0.98 0.08 0.04 0.00 0.00 177.00 175.35 1qkj s VAL 233 N -3.23 4.68 -0.38 -0.36 1.01 0.70 -4.84 120.40 117.97 1qkj s VAL 233 Ca 0.69 1.75 -0.19 0.00 0.00 0.00 0.00 61.98 64.23 1qkj s VAL 233 Cb -0.11 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.00 1qkj s VAL 233 CO 0.55 -0.25 0.58 -0.36 0.00 0.00 0.00 175.10 175.62 1qkj s PHE 234 N 3.22 3.14 0.44 5.22 0.40 -1.26 0.10 117.98 129.24 1qkj s PHE 234 Ca 0.41 0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.92 1qkj s PHE 234 Cb -0.14 -3.10 0.06 0.00 0.51 0.00 0.00 43.02 40.34 1qkj s PHE 234 CO 0.10 -0.67 0.49 0.25 0.70 0.00 0.00 175.22 176.08 1qkj n THR 235 N 5.59 0.00 -2.54 0.64 -2.24 -0.88 -4.96 114.28 109.90 1qkj n THR 235 Ca -0.03 -1.59 -0.16 0.00 -2.27 0.00 0.00 64.05 60.00 1qkj n THR 235 Cb 0.48 -0.41 0.08 0.00 -2.10 0.00 0.00 70.33 68.39 1qkj n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qkj n GLY 236 N -0.34 0.78 3.78 3.38 0.00 -1.26 -2.73 105.19 108.79 1qkj n GLY 236 Ca 0.06 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 1qkj n GLY 236 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qkj s LYS 237 N -4.24 4.37 0.18 1.61 -2.85 -1.12 -2.78 119.74 114.90 1qkj s LYS 237 Ca 0.46 1.54 0.10 0.00 -1.00 0.00 0.00 55.97 57.07 1qkj s LYS 237 Cb -0.03 -2.75 -0.04 0.00 -2.06 0.00 0.00 37.83 32.95 1qkj s LYS 237 CO 0.30 0.03 -0.22 0.96 0.10 0.00 0.00 175.35 176.53 1qkj s ILE 238 N -1.53 2.11 0.37 3.79 -4.36 -1.26 -4.94 121.20 115.37 1qkj s ILE 238 Ca 0.53 -1.95 -0.27 0.00 -0.26 0.00 0.00 60.65 58.70 1qkj s ILE 238 Cb -0.24 -1.98 -0.12 0.00 1.25 0.00 0.00 42.46 41.38 1qkj s ILE 238 CO 0.30 -0.18 1.22 -2.65 0.24 0.00 0.00 174.94 173.87 1qkj n PRO 239 N 0.34 1.89 0.06 0.37 -0.02 -1.26 -4.86 135.00 131.52 1qkj n PRO 239 Ca -0.13 0.67 0.21 0.00 -2.02 0.00 0.00 63.50 62.23 1qkj n PRO 239 Cb 0.56 -2.26 0.73 0.00 -0.02 0.00 0.00 33.50 32.52 1qkj n PRO 239 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1qkj h MET 240 N 2.23 0.00 -0.26 -0.52 4.05 -1.84 0.36 114.93 118.94 1qkj h MET 240 Ca -0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1qkj h MET 240 Cb 1.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 1qkj h MET 240 CO 0.61 0.00 0.00 0.27 0.23 0.00 0.00 176.91 178.02 1qkj n ASN 241 N -3.76 1.32 -0.00 1.39 0.23 -1.26 -3.41 115.26 109.77 1qkj n ASN 241 Ca 0.09 -2.01 0.02 0.00 -0.53 0.00 0.00 54.58 52.15 1qkj n ASN 241 Cb 0.67 -0.18 -0.04 0.00 -2.08 0.00 0.00 39.78 38.16 1qkj n ASN 241 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1qkj n MET 242 N 0.20 1.45 -0.33 -3.83 2.81 0.11 -4.87 117.12 112.65 1qkj n MET 242 Ca 0.08 -0.03 -0.02 0.00 -1.81 0.00 0.00 57.70 55.92 1qkj n MET 242 Cb 0.21 -1.02 0.02 0.00 -0.71 0.00 0.00 33.22 31.73 1qkj n MET 242 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1qkj n VAL 243 N -1.54 -0.47 -0.04 2.03 0.31 -1.22 -0.65 118.33 116.77 1qkj n VAL 243 Ca -0.00 2.02 0.01 0.00 -0.01 0.00 0.00 64.34 66.36 1qkj n VAL 243 Cb 0.12 -2.65 0.34 0.00 -0.91 0.00 0.00 33.84 30.73 1qkj n VAL 243 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1qkj h SER 244 N 0.00 0.55 -0.35 4.52 0.02 -1.86 0.44 113.55 116.87 1qkj h SER 244 Ca 0.28 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 61.05 1qkj h SER 244 Cb 0.50 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1qkj h SER 244 CO -0.85 0.49 -0.27 -0.33 -1.14 0.00 0.00 176.83 174.74 1qkj h GLU 245 N 0.61 0.86 0.62 3.45 3.07 -1.25 0.22 114.58 122.16 1qkj h GLU 245 Ca 0.15 -0.38 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 1qkj h GLU 245 Cb 0.10 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1qkj h GLU 245 CO -0.02 1.02 -0.30 -0.22 -1.40 0.00 0.00 179.01 178.10 1qkj h LYS 246 N 0.73 -0.80 -0.98 2.33 1.63 -0.45 -3.11 116.57 115.93 1qkj h LYS 246 Ca 0.09 0.05 0.31 0.00 -0.85 0.00 0.00 60.65 60.25 1qkj h LYS 246 Cb 0.82 0.18 -0.18 0.00 -0.60 0.00 0.00 32.23 32.45 1qkj h LYS 246 CO 0.07 -0.53 0.22 -0.91 -3.45 0.00 0.00 179.45 174.85 1qkj h ASN 247 N -1.18 -0.15 0.00 4.20 2.35 -0.09 0.44 115.58 121.15 1qkj h ASN 247 Ca -0.08 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1qkj h ASN 247 Cb 0.63 0.38 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1qkj h ASN 247 CO 0.14 -0.35 0.01 -1.20 -1.65 0.00 0.00 177.43 174.38 1qkj n SER 248 N -5.37 0.22 -0.26 5.81 7.64 0.76 -2.22 113.62 120.19 1qkj n SER 248 Ca 0.28 0.60 0.15 0.00 1.01 0.00 0.00 58.87 60.90 1qkj n SER 248 Cb 0.91 -0.62 0.67 0.00 -1.01 0.00 0.00 64.21 64.15 1qkj n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qkj n GLN 249 N -1.79 1.28 -4.19 1.43 10.64 0.14 -4.54 117.38 120.35 1qkj n GLN 249 Ca -0.01 -0.53 -0.31 0.00 -1.83 0.00 0.00 57.00 54.32 1qkj n GLN 249 Cb 0.02 -1.49 -0.08 0.00 -0.86 0.00 0.00 30.24 27.83 1qkj n GLN 249 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1qkj s ALA 250 N -2.09 3.28 0.19 2.61 0.00 -0.94 -0.99 121.76 123.82 1qkj s ALA 250 Ca 0.39 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 1qkj s ALA 250 Cb 0.21 -1.24 0.15 0.00 0.00 0.00 0.00 23.12 22.23 1qkj s ALA 250 CO 0.37 0.68 1.84 0.82 0.00 0.00 0.00 175.76 179.48 1qkj h ILE 251 N 3.10 1.10 -3.89 0.00 1.08 -0.86 -3.35 117.51 114.69 1qkj h ILE 251 Ca -0.48 -0.27 -0.22 0.00 -0.39 0.00 0.00 64.86 63.50 1qkj h ILE 251 Cb 1.17 0.24 -0.16 0.00 -3.07 0.00 0.00 36.82 35.00 1qkj h ILE 251 CO 0.59 0.14 -0.70 0.00 -0.69 0.00 0.00 178.15 177.49 1qkj s ALA 252 N -6.13 0.84 0.02 1.87 0.00 -0.18 -0.62 121.76 117.56 1qkj s ALA 252 Ca -0.13 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.65 1qkj s ALA 252 Cb 0.14 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1qkj s ALA 252 CO 0.76 -0.21 -0.12 0.00 0.00 0.00 0.00 175.76 176.19 1qkj s ALA 253 N -3.23 0.98 -0.07 0.00 0.00 0.04 -2.18 121.76 117.30 1qkj s ALA 253 Ca 0.07 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 1qkj s ALA 253 Cb 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1qkj s ALA 253 CO -0.04 0.18 0.43 -1.17 0.00 0.00 0.00 175.76 175.16 1qkj s LEU 254 N -0.88 4.35 -0.30 0.00 2.96 -0.92 -1.31 118.68 122.58 1qkj s LEU 254 Ca 0.01 0.85 -0.04 0.00 -0.22 0.00 0.00 54.13 54.73 1qkj s LEU 254 Cb -0.07 -2.62 0.04 0.00 0.50 0.00 0.00 46.19 44.04 1qkj s LEU 254 CO 0.01 0.14 0.03 -0.63 -1.32 0.00 0.00 176.35 174.58 1qkj s ILE 255 N -0.06 3.35 0.02 6.68 -1.09 -0.89 -4.92 121.20 124.29 1qkj s ILE 255 Ca 0.24 -1.15 0.02 0.00 -2.23 0.00 0.00 60.65 57.53 1qkj s ILE 255 Cb -0.16 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 1qkj s ILE 255 CO 0.11 -0.05 -0.07 0.27 -1.23 0.00 0.00 174.94 173.97 1qkj s ILE 256 N 1.35 0.50 0.39 2.92 -4.36 -1.26 -0.98 121.20 119.76 1qkj s ILE 256 Ca -0.02 -0.75 0.04 0.00 -0.26 0.00 0.00 60.65 59.66 1qkj s ILE 256 Cb -0.19 -0.52 -0.05 0.00 1.25 0.00 0.00 42.46 42.95 1qkj s ILE 256 CO 0.00 -0.19 0.05 -0.83 0.24 0.00 0.00 174.94 174.21 1qkj s GLY 257 N -1.02 2.43 0.50 6.27 0.00 -1.26 -5.07 107.32 109.17 1qkj s GLY 257 Ca -0.05 -1.72 -0.19 0.00 0.00 0.00 0.00 44.72 42.75 1qkj s GLY 257 CO 0.00 -1.95 1.03 0.99 0.00 0.00 0.00 173.10 173.17 1qkj s ASP 258 N -3.62 6.35 0.40 1.64 1.11 -1.26 -4.90 116.67 116.38 1qkj s ASP 258 Ca 0.29 1.85 0.25 0.00 0.18 0.00 0.00 52.55 55.12 1qkj s ASP 258 Cb 0.07 -2.55 1.37 0.00 1.07 0.00 0.00 42.92 42.88 1qkj s ASP 258 CO 0.14 -0.78 1.59 0.50 1.18 0.00 0.00 175.17 177.81 1qkj h LYS 259 N 1.36 0.05 0.00 8.23 1.63 -2.00 0.33 116.57 126.17 1qkj h LYS 259 Ca -0.49 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1qkj h LYS 259 Cb 1.21 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1qkj h LYS 259 CO 0.59 0.03 0.00 0.09 -3.45 0.00 0.00 179.45 176.71 1qkj n ASN 260 N -5.02 0.78 0.18 4.20 5.03 -1.26 -3.07 115.26 116.10 1qkj n ASN 260 Ca 0.38 0.58 0.09 0.00 0.87 0.00 0.00 54.58 56.50 1qkj n ASN 260 Cb 1.35 -0.79 0.10 0.00 -1.02 0.00 0.00 39.78 39.43 1qkj n ASN 260 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1qkj h TYR 261 N 0.00 0.00 -2.04 3.10 0.05 -0.68 -3.42 116.97 113.98 1qkj h TYR 261 Ca 0.00 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.16 1qkj h TYR 261 Cb 0.72 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.49 1qkj h TYR 261 CO 0.00 0.13 0.97 0.09 -1.05 0.00 0.00 178.16 178.30 1qkj n ASN 262 N -3.04 3.18 -0.97 3.88 3.02 -1.17 -1.11 115.26 119.04 1qkj n ASN 262 Ca 0.02 1.02 -0.08 0.00 -0.03 0.00 0.00 54.58 55.51 1qkj n ASN 262 Cb 0.59 -1.36 -0.03 0.00 -0.61 0.00 0.00 39.78 38.37 1qkj n ASN 262 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1qkj n ASP 263 N 5.43 -2.92 0.00 6.41 8.00 0.15 -4.70 116.55 128.93 1qkj n ASP 263 Ca 0.21 0.20 -0.00 0.00 0.71 0.00 0.00 54.79 55.91 1qkj n ASP 263 Cb 0.27 -2.57 -0.00 0.00 -0.02 0.00 0.00 41.12 38.80 1qkj n ASP 263 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1qkj n ASN 264 N 0.07 0.18 -4.89 -2.24 5.15 -0.28 -4.89 115.26 108.35 1qkj n ASN 264 Ca -0.08 0.03 -0.33 0.00 -0.60 0.00 0.00 54.58 53.60 1qkj n ASN 264 Cb 0.33 -0.13 -0.05 0.00 -0.53 0.00 0.00 39.78 39.40 1qkj n ASN 264 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1qkj s PHE 265 N -1.17 3.54 -0.18 1.20 0.40 -0.27 -1.26 117.98 120.24 1qkj s PHE 265 Ca -0.01 0.50 -0.04 0.00 -0.60 0.00 0.00 56.93 56.79 1qkj s PHE 265 Cb 0.00 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 1qkj s PHE 265 CO 0.01 0.56 -0.03 0.42 0.70 0.00 0.00 175.22 176.88 1qkj s ILE 266 N -1.44 3.82 0.19 0.64 -1.09 -1.26 -4.78 121.20 117.27 1qkj s ILE 266 Ca 0.33 -0.37 0.04 0.00 -2.23 0.00 0.00 60.65 58.42 1qkj s ILE 266 Cb -0.13 -2.70 -0.03 0.00 -1.58 0.00 0.00 42.46 38.02 1qkj s ILE 266 CO 0.21 0.46 0.26 0.42 -1.23 0.00 0.00 174.94 175.06 1qkj s THR 267 N 0.72 5.01 0.26 2.92 -4.23 -1.26 -4.82 115.64 114.24 1qkj s THR 267 Ca -0.01 -0.94 -0.08 0.00 -1.18 0.00 0.00 61.69 59.48 1qkj s THR 267 Cb -0.14 -3.63 0.37 0.00 1.34 0.00 0.00 72.50 70.44 1qkj s THR 267 CO 0.02 -0.19 1.59 0.25 -0.54 0.00 0.00 174.62 175.75 1qkj h LEU 268 N 1.88 -0.69 -1.71 4.79 5.85 -1.96 0.39 115.31 123.86 1qkj h LEU 268 Ca -0.49 0.25 0.29 0.00 0.84 0.00 0.00 57.88 58.78 1qkj h LEU 268 Cb 1.21 0.50 -0.07 0.00 0.37 0.00 0.00 40.66 42.68 1qkj h LEU 268 CO 0.65 -0.28 0.74 0.08 -0.34 0.00 0.00 178.44 179.28 1qkj h ARG 269 N 0.02 0.17 -0.85 1.25 0.11 -1.94 -0.11 114.38 113.03 1qkj h ARG 269 Ca 0.45 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.49 1qkj h ARG 269 Cb 0.75 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.75 1qkj h ARG 269 CO -0.87 0.11 0.44 0.28 0.10 0.00 0.00 179.97 180.04 1qkj h VAL 270 N 0.18 1.25 0.21 0.08 2.07 -0.60 -1.59 116.25 117.84 1qkj h VAL 270 Ca 0.55 -0.67 -0.32 0.00 0.82 0.00 0.00 66.70 67.08 1qkj h VAL 270 Cb 1.83 0.13 0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1qkj h VAL 270 CO -0.14 0.29 -1.40 -0.50 0.02 0.00 0.00 177.57 175.85 1qkj h TRP 271 N 1.20 0.97 -0.95 1.57 4.06 -1.13 -0.85 115.95 120.82 1qkj h TRP 271 Ca 0.30 -0.68 0.14 0.00 2.06 0.00 0.00 58.89 60.71 1qkj h TRP 271 Cb 0.07 -0.05 -0.09 0.00 -1.00 0.00 0.00 29.16 28.09 1qkj h TRP 271 CO 0.01 1.52 0.56 0.93 -3.56 0.00 0.00 178.44 177.91 1qkj h GLU 272 N 0.19 0.80 0.01 0.49 5.08 -1.16 0.14 114.58 120.13 1qkj h GLU 272 Ca -0.23 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1qkj h GLU 272 Cb 2.08 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1qkj h GLU 272 CO 0.26 0.53 -0.06 1.15 -1.00 0.00 0.00 179.01 179.90 1qkj h THR 273 N 0.83 1.74 -0.73 1.13 2.02 -1.32 -3.23 112.91 113.34 1qkj h THR 273 Ca 0.50 -2.24 0.10 0.00 0.77 0.00 0.00 66.41 65.54 1qkj h THR 273 Cb 0.62 3.26 -0.05 0.00 -1.74 0.00 0.00 68.15 70.24 1qkj h THR 273 CO -0.32 0.59 0.48 -0.03 0.37 0.00 0.00 175.52 176.61 1qkj h MET 274 N -0.90 0.60 -0.00 6.66 4.05 -0.89 -0.50 114.93 123.95 1qkj h MET 274 Ca -0.01 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1qkj h MET 274 Cb 0.99 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 1qkj h MET 274 CO 0.01 0.39 -0.03 0.00 0.23 0.00 0.00 176.91 177.51 1qkj n ALA 275 N -2.47 2.63 -1.98 0.39 0.00 0.46 -4.29 120.51 115.26 1qkj n ALA 275 Ca 0.12 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 1qkj n ALA 275 Cb 0.35 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.41 1qkj n ALA 275 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qkj s SER 276 N -2.35 5.15 0.00 0.00 1.04 -0.20 0.45 113.70 117.79 1qkj s SER 276 Ca 0.35 -0.07 0.17 0.00 0.48 0.00 0.00 55.95 56.87 1qkj s SER 276 Cb 0.21 -0.74 0.77 0.00 0.10 0.00 0.00 66.02 66.35 1qkj s SER 276 CO 0.43 -1.24 1.53 -0.67 0.98 0.00 0.00 173.24 174.27 1qkj n ASP 277 N -2.41 0.89 -4.50 7.02 2.03 -1.26 -4.72 116.55 113.60 1qkj n ASP 277 Ca 0.09 -1.66 -0.37 0.00 0.52 0.00 0.00 54.79 53.38 1qkj n ASP 277 Cb 0.60 -0.07 -0.12 0.00 -0.72 0.00 0.00 41.12 40.81 1qkj n ASP 277 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qkj s ALA 278 N -1.86 3.27 0.16 -1.67 0.00 -1.26 -4.86 121.76 115.54 1qkj s ALA 278 Ca 0.27 -1.07 -0.34 0.00 0.00 0.00 0.00 51.96 50.81 1qkj s ALA 278 Cb 0.13 -2.15 -0.14 0.00 0.00 0.00 0.00 23.12 20.96 1qkj s ALA 278 CO 0.21 -0.42 1.51 0.28 0.00 0.00 0.00 175.76 177.34 1qkj n VAL 279 N 4.78 0.12 -2.50 0.00 0.31 0.21 -4.40 118.33 116.85 1qkj n VAL 279 Ca -0.16 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.72 1qkj n VAL 279 Cb 0.52 -1.38 -0.03 0.00 -0.91 0.00 0.00 33.84 32.04 1qkj n VAL 279 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1qkj s MET 280 N 0.66 4.34 -0.29 5.55 1.75 -1.26 -0.78 119.30 129.28 1qkj s MET 280 Ca 0.79 1.61 0.01 0.00 -1.25 0.00 0.00 55.69 56.85 1qkj s MET 280 Cb -0.73 -3.58 0.09 0.00 2.84 0.00 0.00 34.83 33.44 1qkj s MET 280 CO 0.41 -0.47 0.03 -0.51 -0.65 0.00 0.00 175.02 173.83 1qkj s LEU 281 N 2.39 3.13 0.03 4.11 1.43 -0.43 -4.67 118.68 124.67 1qkj s LEU 281 Ca 0.54 -1.63 -0.18 0.00 -1.03 0.00 0.00 54.13 51.83 1qkj s LEU 281 Cb -0.23 -1.21 -0.06 0.00 0.03 0.00 0.00 46.19 44.73 1qkj s LEU 281 CO 0.20 -0.34 0.50 -0.63 0.23 0.00 0.00 176.35 176.31 1qkj s ILE 282 N 1.32 4.89 0.10 -0.59 1.09 0.20 -2.09 121.20 126.13 1qkj s ILE 282 Ca 0.05 1.06 -0.31 0.00 -1.10 0.00 0.00 60.65 60.34 1qkj s ILE 282 Cb -0.18 -3.82 -0.08 0.00 -1.06 0.00 0.00 42.46 37.31 1qkj s ILE 282 CO -0.13 0.54 1.49 -0.62 -0.10 0.00 0.00 174.94 176.12 1qkj s ASP 283 N -0.91 6.72 0.28 3.58 -1.08 -0.15 -0.57 116.67 124.55 1qkj s ASP 283 Ca 0.27 2.41 0.02 0.00 -0.52 0.00 0.00 52.55 54.73 1qkj s ASP 283 Cb -0.18 -2.58 0.60 0.00 -1.46 0.00 0.00 42.92 39.30 1qkj s ASP 283 CO 0.16 -0.76 1.81 -0.08 0.52 0.00 0.00 175.17 176.82 1qkj h GLU 284 N 7.27 0.84 -0.51 4.34 4.57 -0.95 0.03 114.58 130.16 1qkj h GLU 284 Ca -0.42 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.72 1qkj h GLU 284 Cb 1.20 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.58 1qkj h GLU 284 CO 0.90 0.55 0.34 1.49 -1.18 0.00 0.00 179.01 181.11 1qkj h GLU 285 N 0.86 0.65 -0.34 1.92 4.81 -1.89 -1.86 114.58 118.72 1qkj h GLU 285 Ca 0.51 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.67 1qkj h GLU 285 Cb 0.63 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1qkj h GLU 285 CO -0.31 0.43 0.08 0.35 -0.73 0.00 0.00 179.01 178.82 1qkj h PHE 286 N 0.67 0.50 -1.48 0.92 3.57 -1.35 -3.36 116.94 116.40 1qkj h PHE 286 Ca 0.19 -0.03 -0.42 0.00 3.53 0.00 0.00 57.97 61.24 1qkj h PHE 286 Cb -0.03 -0.15 -0.29 0.00 2.79 0.00 0.00 35.95 38.26 1qkj h PHE 286 CO -0.00 0.44 -0.83 -3.47 -2.23 0.00 0.00 178.31 172.22 1qkj n ASP 287 N -4.35 -1.31 0.30 0.41 2.03 -1.02 0.32 116.55 112.93 1qkj n ASP 287 Ca 0.02 -2.78 0.17 0.00 0.52 0.00 0.00 54.79 52.71 1qkj n ASP 287 Cb 0.18 0.34 0.97 0.00 -0.72 0.00 0.00 41.12 41.90 1qkj n ASP 287 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1qkj h THR 288 N 3.43 0.40 -0.37 5.18 1.35 -1.50 -1.69 112.91 119.73 1qkj h THR 288 Ca 0.07 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1qkj h THR 288 Cb 0.96 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1qkj h THR 288 CO 0.33 0.01 0.00 0.29 -0.25 0.00 0.00 175.52 175.90 1qkj n LYS 289 N -3.64 2.17 -3.91 4.72 4.76 -1.26 -4.96 118.16 116.03 1qkj n LYS 289 Ca -0.03 -1.78 -0.25 0.00 -2.87 0.00 0.00 58.31 53.38 1qkj n LYS 289 Cb 0.10 -1.44 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 1qkj n LYS 289 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1qkj n HIS 290 N 0.98 -1.69 0.09 2.13 8.25 -0.63 -4.88 115.22 119.47 1qkj n HIS 290 Ca 0.18 0.74 -0.04 0.00 -0.26 0.00 0.00 57.72 58.33 1qkj n HIS 290 Cb 0.47 -3.80 -0.00 0.00 1.12 0.00 0.00 29.99 27.77 1qkj n HIS 290 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1qkj h ARG 291 N -1.85 0.00 -0.12 -0.41 0.11 -1.93 -3.27 114.38 106.91 1qkj h ARG 291 Ca -0.63 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.44 1qkj h ARG 291 Cb 1.37 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.45 1qkj h ARG 291 CO 0.61 0.83 0.05 0.82 0.10 0.00 0.00 179.97 182.38 1qkj h ILE 292 N 0.00 1.15 -2.53 0.08 2.04 -1.92 -3.43 117.51 112.89 1qkj h ILE 292 Ca -0.01 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 1qkj h ILE 292 Cb 1.50 1.21 -0.24 0.00 -0.74 0.00 0.00 36.82 38.54 1qkj h ILE 292 CO 0.11 0.13 -0.19 -0.63 0.00 0.00 0.00 178.15 177.57 1qkj s ILE 293 N -5.57 -0.01 -1.17 -0.67 1.01 -1.24 -4.99 121.20 108.55 1qkj s ILE 293 Ca -0.14 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 1qkj s ILE 293 Cb 0.06 -0.69 0.24 0.00 0.01 0.00 0.00 42.46 42.09 1qkj s ILE 293 CO 0.69 0.02 1.51 -3.20 0.00 0.00 0.00 174.94 173.96 1qkj n ASN 294 N 3.66 5.66 -3.64 3.58 5.15 -1.23 -4.76 115.26 123.67 1qkj n ASN 294 Ca -0.19 -3.18 -0.05 0.00 -0.60 0.00 0.00 54.58 50.56 1qkj n ASN 294 Cb 0.56 -1.40 -0.07 0.00 -0.53 0.00 0.00 39.78 38.34 1qkj n ASN 294 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1qkj s ASP 295 N 0.40 -0.81 0.00 1.20 -1.08 -1.26 -5.05 116.67 110.07 1qkj s ASP 295 Ca 0.36 1.29 0.26 0.00 -0.52 0.00 0.00 52.55 53.93 1qkj s ASP 295 Cb 0.02 1.35 1.37 0.00 -1.46 0.00 0.00 42.92 44.20 1qkj s ASP 295 CO 0.02 -0.20 1.88 0.00 0.52 0.00 0.00 175.17 177.39 1qkj n ALA 296 N 4.15 2.34 0.64 3.66 0.00 -1.26 -3.29 120.51 126.75 1qkj n ALA 296 Ca -0.19 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.23 1qkj n ALA 296 Cb 0.58 -1.42 0.46 0.00 0.00 0.00 0.00 19.45 19.08 1qkj n ALA 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qkj n ARG 297 N -1.20 0.15 0.00 0.00 1.74 -1.26 -2.67 116.66 113.41 1qkj n ARG 297 Ca 0.14 0.22 0.13 0.00 -0.77 0.00 0.00 57.85 57.57 1qkj n ARG 297 Cb 0.17 -1.71 0.38 0.00 -1.02 0.00 0.00 32.46 30.28 1qkj n ARG 297 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1qkj n PHE 298 N -1.97 0.00 -5.27 -1.55 3.01 -1.21 -4.88 117.46 105.59 1qkj n PHE 298 Ca 0.05 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.20 1qkj n PHE 298 Cb 0.32 -0.05 -0.16 0.00 -0.01 0.00 0.00 39.48 39.59 1qkj n PHE 298 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1qkj s TYR 299 N -2.23 2.30 0.01 1.38 1.51 -1.09 0.63 117.35 119.85 1qkj s TYR 299 Ca 0.30 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 1qkj s TYR 299 Cb 0.20 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.55 1qkj s TYR 299 CO 0.42 -0.07 -0.12 0.14 -1.11 0.00 0.00 175.55 174.81 1qkj s VAL 300 N -0.51 0.93 -0.11 0.71 -7.23 0.27 -4.86 120.40 109.60 1qkj s VAL 300 Ca 0.07 -0.66 0.15 0.00 -1.81 0.00 0.00 61.98 59.73 1qkj s VAL 300 Cb -0.11 -0.81 -0.23 0.00 0.56 0.00 0.00 36.38 35.80 1qkj s VAL 300 CO -0.00 0.14 0.48 0.59 -0.31 0.00 0.00 175.10 176.00 1qkj n ASN 301 N 2.46 0.55 -3.57 4.85 3.02 -1.26 -0.24 115.26 121.07 1qkj n ASN 301 Ca -0.15 0.26 -0.10 0.00 -0.03 0.00 0.00 54.58 54.56 1qkj n ASN 301 Cb 0.56 0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 40.10 1qkj n ASN 301 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1qkj s ASN 302 N -5.79 0.08 0.25 6.41 2.20 -1.26 -4.88 114.94 111.95 1qkj s ASN 302 Ca -0.06 -1.02 -0.08 0.00 -0.94 0.00 0.00 52.86 50.77 1qkj s ASN 302 Cb 0.08 0.70 0.42 0.00 -2.00 0.00 0.00 41.25 40.45 1qkj s ASN 302 CO 0.83 -1.35 1.62 -0.09 -2.94 0.00 0.00 177.10 175.17 1qkj h ARG 303 N 2.11 0.07 -0.59 3.55 2.43 -1.94 -0.91 114.38 119.09 1qkj h ARG 303 Ca -0.26 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.88 1qkj h ARG 303 Cb 1.25 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1qkj h ARG 303 CO 0.34 0.05 0.26 0.00 -1.51 0.00 0.00 179.97 179.11 1qkj h ALA 304 N 1.74 1.34 -0.00 2.80 0.00 -1.96 0.28 119.26 123.45 1qkj h ALA 304 Ca 0.41 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 1qkj h ALA 304 Cb 0.71 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1qkj h ALA 304 CO -0.71 0.50 -0.81 0.93 0.00 0.00 0.00 179.25 179.16 1qkj h GLU 305 N 0.84 0.10 -0.09 0.00 5.08 -1.60 -1.98 114.58 116.93 1qkj h GLU 305 Ca 0.20 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1qkj h GLU 305 Cb 0.13 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1qkj h GLU 305 CO -0.02 0.85 -0.04 1.25 -1.00 0.00 0.00 179.01 180.05 1qkj h LEU 306 N 0.06 0.19 -0.81 1.33 5.85 -0.65 -0.37 115.31 120.90 1qkj h LEU 306 Ca -0.02 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1qkj h LEU 306 Cb 1.41 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 1qkj h LEU 306 CO 0.11 0.55 0.52 0.40 -0.34 0.00 0.00 178.44 179.69 1qkj h ILE 307 N -0.18 1.14 -0.26 4.05 2.04 -0.95 -1.11 117.51 122.24 1qkj h ILE 307 Ca 0.02 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1qkj h ILE 307 Cb 0.48 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1qkj h ILE 307 CO 0.01 0.19 0.08 -0.78 0.00 0.00 0.00 178.15 177.65 1qkj h ASP 308 N 1.03 0.38 -0.72 1.72 3.58 -1.29 -1.37 116.42 119.75 1qkj h ASP 308 Ca 0.32 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1qkj h ASP 308 Cb -0.02 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 1qkj h ASP 308 CO -0.10 0.48 0.38 -0.09 -2.88 0.00 0.00 179.24 177.03 1qkj h ARG 309 N 0.26 1.02 -0.34 0.28 9.65 -0.49 -1.31 114.38 123.45 1qkj h ARG 309 Ca 0.08 -0.12 -0.09 0.00 -1.10 0.00 0.00 59.98 58.76 1qkj h ARG 309 Cb 0.24 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 1qkj h ARG 309 CO -0.00 0.76 -0.13 0.28 2.80 0.00 0.00 179.97 183.67 1qkj h VAL 310 N 1.02 1.28 -0.77 0.20 2.07 -1.10 -1.40 116.25 117.55 1qkj h VAL 310 Ca 0.26 -1.23 0.14 0.00 0.82 0.00 0.00 66.70 66.69 1qkj h VAL 310 Cb 0.05 1.36 -0.09 0.00 -1.52 0.00 0.00 31.29 31.09 1qkj h VAL 310 CO -0.04 0.40 0.34 0.78 0.02 0.00 0.00 177.57 179.07 1qkj h ASN 311 N 0.48 0.35 -0.67 0.57 2.35 -0.55 0.30 115.58 118.41 1qkj h ASN 311 Ca 0.08 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1qkj h ASN 311 Cb 0.66 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 1qkj h ASN 311 CO 0.04 0.14 0.25 -0.33 -1.65 0.00 0.00 177.43 175.89 1qkj h GLU 312 N 0.50 1.02 -0.35 0.81 5.08 -0.96 -1.52 114.58 119.15 1qkj h GLU 312 Ca 0.42 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1qkj h GLU 312 Cb 0.61 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1qkj h GLU 312 CO -0.38 0.86 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.35 1qkj h LEU 313 N 0.96 0.54 -0.76 1.33 3.38 0.24 0.87 115.31 121.88 1qkj h LEU 313 Ca 0.22 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1qkj h LEU 313 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1qkj h LEU 313 CO -0.02 0.66 -0.47 0.11 0.09 0.00 0.00 178.44 178.82 1qkj h LYS 314 N 0.53 0.00 0.18 1.13 1.57 -0.31 -3.26 116.57 116.41 1qkj h LYS 314 Ca 0.10 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.59 1qkj h LYS 314 Cb 0.44 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.77 1qkj h LYS 314 CO 0.02 0.47 -1.43 1.25 -0.57 0.00 0.00 179.45 179.19 1qkj h HIS 315 N 0.00 0.68 -3.52 -1.35 2.76 -0.75 -3.43 115.15 109.54 1qkj h HIS 315 Ca -0.00 -0.50 -0.69 0.00 -2.20 0.00 0.00 60.37 56.98 1qkj h HIS 315 Cb 1.03 -0.03 -0.36 0.00 1.55 0.00 0.00 27.41 29.61 1qkj h HIS 315 CO 0.00 1.55 -0.57 0.45 -1.30 0.00 0.00 177.93 178.07 1qkj s SER 316 N -7.24 5.17 0.39 3.26 0.15 0.25 -4.94 113.70 110.75 1qkj s SER 316 Ca -0.15 -2.11 0.08 0.00 0.70 0.00 0.00 55.95 54.47 1qkj s SER 316 Cb 0.04 -1.80 0.81 0.00 -1.71 0.00 0.00 66.02 63.36 1qkj s SER 316 CO 0.85 -0.51 1.98 -0.78 1.20 0.00 0.00 173.24 175.98 1qkj h ASP 317 N 7.91 0.36 -0.87 5.45 3.58 -1.85 -0.94 116.42 130.06 1qkj h ASP 317 Ca -0.11 -0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.31 1qkj h ASP 317 Cb 1.04 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.95 1qkj h ASP 317 CO 0.67 0.38 0.57 0.58 -2.88 0.00 0.00 179.24 178.57 1qkj h VAL 318 N 0.40 1.21 -0.07 2.25 2.07 -1.92 0.20 116.25 120.38 1qkj h VAL 318 Ca 0.09 -0.40 -0.17 0.00 0.82 0.00 0.00 66.70 67.04 1qkj h VAL 318 Cb 0.17 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1qkj h VAL 318 CO -0.00 0.21 -0.70 0.25 0.02 0.00 0.00 177.57 177.35 1qkj h LEU 319 N 1.16 0.39 0.11 2.57 5.85 -1.59 -1.51 115.31 122.29 1qkj h LEU 319 Ca 0.32 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1qkj h LEU 319 Cb -0.11 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1qkj h LEU 319 CO -0.08 0.97 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.84 1qkj h ARG 320 N 0.23 -0.15 -0.69 1.25 2.43 -0.75 -2.18 114.38 114.51 1qkj h ARG 320 Ca -0.02 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1qkj h ARG 320 Cb 1.25 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 1qkj h ARG 320 CO 0.11 0.19 0.24 0.87 -1.51 0.00 0.00 179.97 179.87 1qkj h LYS 321 N -0.50 1.05 -0.35 0.20 1.57 -1.03 -2.28 116.57 115.23 1qkj h LYS 321 Ca -0.02 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1qkj h LYS 321 Cb 0.40 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1qkj h LYS 321 CO 0.03 0.88 0.23 1.49 -0.57 0.00 0.00 179.45 181.50 1qkj h GLU 322 N 1.02 0.47 -0.19 3.15 4.81 -1.28 -0.19 114.58 122.37 1qkj h GLU 322 Ca 0.23 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 1qkj h GLU 322 Cb 0.25 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1qkj h GLU 322 CO -0.01 0.32 -0.41 0.52 -0.73 0.00 0.00 179.01 178.70 1qkj h MET 323 N 0.47 0.44 -0.31 1.92 2.86 -1.14 -1.79 114.93 117.38 1qkj h MET 323 Ca 0.13 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1qkj h MET 323 Cb -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1qkj h MET 323 CO -0.03 0.78 -0.07 -0.07 1.06 0.00 0.00 176.91 178.57 1qkj h LEU 324 N 0.36 0.60 -0.71 1.22 3.38 -1.22 -1.48 115.31 117.46 1qkj h LEU 324 Ca 0.03 -0.36 0.09 0.00 0.09 0.00 0.00 57.88 57.72 1qkj h LEU 324 Cb 0.88 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1qkj h LEU 324 CO 0.07 0.82 0.36 -1.28 0.09 0.00 0.00 178.44 178.51 1qkj h SER 325 N 0.36 0.49 0.06 -0.43 0.87 -0.91 -0.74 113.55 113.25 1qkj h SER 325 Ca 0.08 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1qkj h SER 325 Cb 0.56 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1qkj h SER 325 CO 0.03 0.29 -0.03 0.40 -0.53 0.00 0.00 176.83 176.99 1qkj h ILE 326 N 0.63 1.07 -0.51 2.23 2.04 -1.11 -1.48 117.51 120.38 1qkj h ILE 326 Ca 0.34 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1qkj h ILE 326 Cb 0.33 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1qkj h ILE 326 CO -0.25 0.11 0.14 0.06 0.00 0.00 0.00 178.15 178.21 1qkj h GLN 327 N -0.26 0.77 0.03 2.37 3.07 -1.14 0.11 115.11 120.06 1qkj h GLN 327 Ca -0.01 -0.14 -0.00 0.00 0.09 0.00 0.00 58.65 58.59 1qkj h GLN 327 Cb 0.23 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.67 1qkj h GLN 327 CO 0.01 0.68 -0.01 0.45 0.09 0.00 0.00 178.83 180.05 1qkj h HIS 328 N 0.75 -0.04 -0.03 0.06 3.86 -1.08 -1.11 115.15 117.56 1qkj h HIS 328 Ca 0.17 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.40 1qkj h HIS 328 Cb 0.25 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 1qkj h HIS 328 CO 0.01 0.20 -0.10 -0.44 0.86 0.00 0.00 177.93 178.46 1qkj h ASP 329 N -0.28 -0.31 0.04 2.45 3.32 -1.06 -2.28 116.42 118.30 1qkj h ASP 329 Ca -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1qkj h ASP 329 Cb 0.26 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1qkj h ASP 329 CO 0.01 -0.15 -0.03 0.40 -1.72 0.00 0.00 179.24 177.75 1qkj h ILE 330 N -0.17 0.92 -0.39 0.35 1.08 -0.75 -2.15 117.51 116.41 1qkj h ILE 330 Ca 0.05 -0.11 -0.16 0.00 -0.39 0.00 0.00 64.86 64.25 1qkj h ILE 330 Cb 0.23 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1qkj h ILE 330 CO -0.13 0.03 -0.37 0.25 -0.69 0.00 0.00 178.15 177.24 1qkj h LEU 331 N 0.00 1.00 -1.20 1.44 6.46 -0.66 -3.17 115.31 119.17 1qkj h LEU 331 Ca -0.00 -0.46 -0.07 0.00 -0.12 0.00 0.00 57.88 57.23 1qkj h LEU 331 Cb 0.06 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 1qkj h LEU 331 CO 0.00 1.25 -0.32 0.78 -0.62 0.00 0.00 178.44 179.54 1qkj h ASN 332 N 0.76 0.00 0.06 1.25 -0.26 -0.89 -2.66 115.58 113.84 1qkj h ASN 332 Ca 0.06 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 1qkj h ASN 332 Cb 0.97 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.22 1qkj h ASN 332 CO 0.09 0.32 -0.10 0.07 -1.06 0.00 0.00 177.43 176.75 1qkj h LYS 333 N 0.00 0.11 0.10 0.81 2.10 -1.46 0.00 116.57 118.23 1qkj h LYS 333 Ca -0.00 -0.02 -0.19 0.00 -2.00 0.00 0.00 60.65 58.44 1qkj h LYS 333 Cb 0.73 -0.02 0.02 0.00 -0.90 0.00 0.00 32.23 32.06 1qkj h LYS 333 CO 0.04 0.21 -0.80 1.15 -2.00 0.00 0.00 179.45 178.05 1qkj h THR 334 N 0.11 1.46 0.00 0.07 2.02 -1.62 -3.20 112.91 111.74 1qkj h THR 334 Ca 0.02 -2.40 -0.00 0.00 0.77 0.00 0.00 66.41 64.80 1qkj h THR 334 Cb 0.25 2.98 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1qkj h THR 334 CO 0.01 0.69 -0.02 0.03 0.37 0.00 0.00 175.52 176.60 1qkj h ARG 335 N -0.22 0.00 0.00 6.66 3.08 -1.09 0.11 114.38 122.92 1qkj h ARG 335 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1qkj h ARG 335 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.63 1qkj h ARG 335 CO 0.15 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 179.07 1qkj h ALA 336 N 1.98 1.00 -0.77 0.04 0.00 -1.00 -1.25 119.26 119.25 1qkj h ALA 336 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1qkj h ALA 336 Cb 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.64 1qkj h ALA 336 CO 0.00 0.00 0.37 1.63 0.00 0.00 0.00 179.25 181.26 1qkj n LYS 337 N -3.01 2.80 -0.33 0.00 5.02 0.39 -4.67 118.16 118.36 1qkj n LYS 337 Ca -0.02 -3.06 0.05 0.00 -2.02 0.00 0.00 58.31 53.26 1qkj n LYS 337 Cb 0.14 -2.13 0.23 0.00 -0.02 0.00 0.00 35.03 33.26 1qkj n LYS 337 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1qkj h LYS 338 N 1.69 1.01 0.12 1.97 3.64 -1.31 -2.17 116.57 121.53 1qkj h LYS 338 Ca 0.41 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1qkj h LYS 338 Cb 2.43 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 34.03 1qkj h LYS 338 CO 0.82 0.67 -0.06 0.00 -2.27 0.00 0.00 179.45 178.61 1qkj h ALA 339 N 1.51 -0.17 -0.19 5.00 0.00 -1.85 -1.75 119.26 121.81 1qkj h ALA 339 Ca 0.43 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1qkj h ALA 339 Cb 0.29 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1qkj h ALA 339 CO -0.18 -0.43 0.16 0.93 0.00 0.00 0.00 179.25 179.72 1qkj h GLU 340 N -0.49 0.00 0.02 0.00 3.07 -1.87 0.19 114.58 115.50 1qkj h GLU 340 Ca -0.02 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.61 1qkj h GLU 340 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1qkj h GLU 340 CO 0.03 0.00 -0.98 2.35 -1.40 0.00 0.00 179.01 179.01 1qkj h TRP 341 N 0.00 0.52 -0.18 4.33 7.01 -1.23 -1.54 115.95 124.87 1qkj h TRP 341 Ca 0.09 -0.30 -0.05 0.00 2.11 0.00 0.00 58.89 60.74 1qkj h TRP 341 Cb 0.40 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.41 1qkj h TRP 341 CO 0.00 1.14 -0.07 1.96 -2.79 0.00 0.00 178.44 178.67 1qkj h GLN 342 N 0.18 0.36 -0.22 2.65 4.20 -0.06 -0.92 115.11 121.30 1qkj h GLN 342 Ca -0.08 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1qkj h GLN 342 Cb 1.63 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.39 1qkj h GLN 342 CO 0.16 0.66 0.14 -0.44 -0.67 0.00 0.00 178.83 178.68 1qkj h ASP 343 N 0.05 0.26 -0.86 1.46 3.32 -0.74 -1.94 116.42 117.97 1qkj h ASP 343 Ca 0.04 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1qkj h ASP 343 Cb 0.54 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 1qkj h ASP 343 CO 0.02 0.21 0.53 0.00 -1.72 0.00 0.00 179.24 178.29 1qkj h ALA 344 N 1.06 1.31 -0.49 3.45 0.00 -1.23 -1.21 119.26 122.14 1qkj h ALA 344 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1qkj h ALA 344 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1qkj h ALA 344 CO -0.02 0.60 0.17 0.35 0.00 0.00 0.00 179.25 180.35 1qkj h PHE 345 N 1.19 0.78 0.70 0.00 3.57 -0.86 -1.10 116.94 121.23 1qkj h PHE 345 Ca 0.31 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 1qkj h PHE 345 Cb -0.07 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.45 1qkj h PHE 345 CO 0.00 0.68 -0.34 0.87 -2.23 0.00 0.00 178.31 177.29 1qkj h LYS 346 N 0.66 -0.91 -0.66 1.11 1.57 -0.96 -1.68 116.57 115.71 1qkj h LYS 346 Ca 0.16 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.14 1qkj h LYS 346 Cb 0.25 0.21 -0.12 0.00 0.08 0.00 0.00 32.23 32.65 1qkj h LYS 346 CO -0.01 -0.60 -0.11 -0.22 -0.57 0.00 0.00 179.45 177.94 1qkj h LYS 347 N -0.95 0.03 -0.83 3.15 3.64 -1.22 0.27 116.57 120.66 1qkj h LYS 347 Ca -0.10 -0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.41 1qkj h LYS 347 Cb 0.73 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 1qkj h LYS 347 CO 0.16 0.02 0.54 0.00 -2.27 0.00 0.00 179.45 177.90 1qkj h ALA 348 N 1.64 1.87 -0.55 5.00 0.00 -0.92 0.22 119.26 126.51 1qkj h ALA 348 Ca 0.33 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1qkj h ALA 348 Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1qkj h ALA 348 CO -0.64 -0.08 0.00 0.44 0.00 0.00 0.00 179.25 178.97 1qkj n ILE 349 N -4.53 2.53 -2.86 0.00 -5.35 0.85 -4.96 119.36 105.04 1qkj n ILE 349 Ca 0.15 -1.30 -0.12 0.00 -0.27 0.00 0.00 62.75 61.21 1qkj n ILE 349 Cb 0.44 -0.26 0.06 0.00 -1.74 0.00 0.00 39.64 38.14 1qkj n ILE 349 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1qkj n ASP 350 N 0.64 -5.13 0.00 7.28 8.00 0.78 -5.04 116.55 123.07 1qkj n ASP 350 Ca 0.26 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1qkj n ASP 350 Cb 1.12 -4.09 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 1qkj n ASP 350 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99