#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqe s VAL 17 N 0.00 5.14 -1.04 1.39 1.01 0.52 -4.03 120.40 123.39 1lqe s VAL 17 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1lqe s VAL 17 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1lqe s VAL 17 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1lqe n GLY 18 N 3.33 0.60 0.00 4.51 0.00 -1.24 -1.68 105.19 110.71 1lqe n GLY 18 Ca -0.17 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1lqe n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lqe n GLY 19 N -1.35 2.25 3.16 -0.02 0.00 -1.26 -4.86 105.19 103.11 1lqe n GLY 19 Ca -0.12 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.78 1lqe n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lqe s TYR 20 N 2.03 0.87 -0.20 1.61 -0.85 0.54 -4.91 117.35 116.44 1lqe s TYR 20 Ca 0.00 -1.15 -0.29 0.00 -0.52 0.00 0.00 57.07 55.11 1lqe s TYR 20 Cb 0.00 -0.51 -0.02 0.00 0.38 0.00 0.00 41.96 41.81 1lqe s TYR 20 CO 0.00 -0.42 1.43 0.99 -1.52 0.00 0.00 175.55 176.03 1lqe s THR 21 N -3.93 3.98 0.11 -3.49 2.01 -1.26 0.63 115.64 113.68 1lqe s THR 21 Ca 0.20 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 63.04 1lqe s THR 21 Cb 0.07 -3.87 -0.11 0.00 0.01 0.00 0.00 72.50 68.60 1lqe s THR 21 CO -0.00 -0.25 1.61 0.00 -0.69 0.00 0.00 174.62 175.28 1lqe n GLY 23 N -1.45 3.89 3.70 0.00 0.00 -1.26 -4.86 105.19 105.20 1lqe n GLY 23 Ca -0.08 -1.34 -0.54 0.00 0.00 0.00 0.00 46.02 44.06 1lqe n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqe n ALA 24 N -0.23 0.20 -1.96 4.61 0.00 -1.26 -1.85 120.51 120.03 1lqe n ALA 24 Ca 0.00 0.35 -0.17 0.00 0.00 0.00 0.00 53.44 53.62 1lqe n ALA 24 Cb 0.00 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.09 1lqe n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1lqe n ASN 25 N 5.72 -5.05 -0.07 0.00 3.02 -1.26 -4.88 115.26 112.75 1lqe n ASN 25 Ca 0.25 0.18 0.13 0.00 -0.03 0.00 0.00 54.58 55.11 1lqe n ASN 25 Cb 0.19 -4.10 0.44 0.00 -0.61 0.00 0.00 39.78 35.70 1lqe n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1lqe n THR 26 N -3.35 0.00 -3.48 3.41 -2.24 -0.77 -4.05 114.28 103.81 1lqe n THR 26 Ca -0.19 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.29 1lqe n THR 26 Cb 0.61 0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.77 1lqe n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1lqe n VAL 27 N -1.23 0.46 0.20 2.28 0.31 -1.26 -4.98 118.33 114.10 1lqe n VAL 27 Ca 0.09 -4.35 0.12 0.00 -0.01 0.00 0.00 64.34 60.19 1lqe n VAL 27 Cb 0.32 -1.97 0.59 0.00 -0.91 0.00 0.00 33.84 31.88 1lqe n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1lqe n PRO 28 N 1.80 0.15 0.00 5.55 -0.04 -1.26 -2.30 135.00 138.90 1lqe n PRO 28 Ca 0.25 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.44 1lqe n PRO 28 Cb 0.44 -1.96 0.13 0.00 -0.04 0.00 0.00 33.50 32.07 1lqe n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1lqe n TYR 29 N -2.28 0.00 -2.32 0.54 0.18 -1.12 -1.80 117.16 110.35 1lqe n TYR 29 Ca -0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.35 1lqe n TYR 29 Cb 0.06 -0.10 -0.03 0.00 -0.38 0.00 0.00 39.34 38.89 1lqe n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1lqe s GLN 30 N -2.77 4.35 0.23 -3.48 2.00 -0.97 -0.60 119.66 118.42 1lqe s GLN 30 Ca 0.15 1.87 0.11 0.00 -2.00 0.00 0.00 55.36 55.49 1lqe s GLN 30 Cb 0.18 -3.43 -0.05 0.00 0.80 0.00 0.00 33.01 30.51 1lqe s GLN 30 CO 0.67 -0.42 -0.22 0.14 -0.50 0.00 0.00 175.29 174.97 1lqe s VAL 31 N 1.66 2.36 -0.16 1.34 -7.23 -0.52 -4.47 120.40 113.38 1lqe s VAL 31 Ca 0.61 -2.20 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1lqe s VAL 31 Cb -0.31 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 1lqe s VAL 31 CO 0.27 -0.27 -0.09 -0.55 -0.31 0.00 0.00 175.10 174.16 1lqe s SER 32 N -3.07 4.25 -0.26 4.85 0.15 -0.41 -2.17 113.70 117.05 1lqe s SER 32 Ca 0.25 -0.31 -0.20 0.00 0.70 0.00 0.00 55.95 56.39 1lqe s SER 32 Cb -0.06 -1.68 -0.02 0.00 -1.71 0.00 0.00 66.02 62.54 1lqe s SER 32 CO 0.12 0.11 0.60 -0.76 1.20 0.00 0.00 173.24 174.51 1lqe s LEU 33 N 0.69 4.07 -0.04 3.45 1.43 0.66 -0.37 118.68 128.57 1lqe s LEU 33 Ca -0.04 0.62 0.07 0.00 -1.03 0.00 0.00 54.13 53.75 1lqe s LEU 33 Cb -0.15 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 1lqe s LEU 33 CO 0.02 -0.36 -0.24 0.21 0.23 0.00 0.00 176.35 176.21 1lqe s ASN 34 N 1.51 2.91 -0.33 2.29 3.84 0.34 -1.27 114.94 124.24 1lqe s ASN 34 Ca 0.25 -0.47 0.17 0.00 0.21 0.00 0.00 52.86 53.01 1lqe s ASN 34 Cb -0.15 -0.60 0.44 0.00 -0.55 0.00 0.00 41.25 40.39 1lqe s ASN 34 CO 0.09 0.26 0.93 -1.54 -2.79 0.00 0.00 177.10 174.05 1lqe n SER 37 N 2.77 1.51 0.00 -4.21 3.41 -1.26 -0.67 113.62 115.17 1lqe n SER 37 Ca -0.17 -2.79 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 1lqe n SER 37 Cb 0.52 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1lqe n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqe n GLY 38 N -0.03 0.73 3.55 5.00 0.00 -1.26 -4.97 105.19 108.20 1lqe n GLY 38 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 1lqe n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lqe s TYR 39 N -2.44 -0.24 -0.11 1.61 1.13 -1.26 -5.14 117.35 110.92 1lqe s TYR 39 Ca 0.00 0.15 -0.30 0.00 -1.41 0.00 0.00 57.07 55.51 1lqe s TYR 39 Cb 0.00 0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 41.37 1lqe s TYR 39 CO 0.00 -0.37 1.15 -1.58 -2.51 0.00 0.00 175.55 172.25 1lqe s HIS 40 N -2.74 3.21 0.00 -3.49 5.65 -1.26 -4.26 115.29 112.39 1lqe s HIS 40 Ca 0.07 1.28 0.00 0.00 0.25 0.00 0.00 55.06 56.66 1lqe s HIS 40 Cb -0.01 -3.37 0.00 0.00 -1.18 0.00 0.00 32.58 28.02 1lqe s HIS 40 CO -0.07 -1.07 0.00 1.97 -0.65 0.00 0.00 174.74 174.93 1lqe n PHE 41 N 5.56 0.00 -3.60 3.88 1.16 -0.40 -5.00 117.46 119.06 1lqe n PHE 41 Ca 0.11 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.61 1lqe n PHE 41 Cb 0.46 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.32 1lqe n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1lqe n GLY 43 N -0.38 2.38 3.85 0.00 0.00 0.26 -0.24 105.19 111.06 1lqe n GLY 43 Ca -0.10 -2.24 -0.01 0.00 0.00 0.00 0.00 46.02 43.67 1lqe n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lqe s GLY 44 N -3.88 -0.05 -0.04 -0.02 0.00 -0.92 -3.72 107.32 98.70 1lqe s GLY 44 Ca 0.36 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 45.04 1lqe s GLY 44 CO 0.23 2.46 -0.08 -0.56 0.00 0.00 0.00 173.10 175.15 1lqe s SER 45 N -3.37 1.22 -0.30 1.64 0.01 -0.27 -1.44 113.70 111.20 1lqe s SER 45 Ca 0.21 -0.19 -0.26 0.00 1.31 0.00 0.00 55.95 57.02 1lqe s SER 45 Cb -0.01 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.80 1lqe s SER 45 CO 0.02 0.03 0.91 -0.22 0.41 0.00 0.00 173.24 174.39 1lqe s LEU 46 N 0.42 4.04 0.00 2.44 2.96 0.23 -0.84 118.68 127.92 1lqe s LEU 46 Ca -0.07 0.89 0.18 0.00 -0.22 0.00 0.00 54.13 54.91 1lqe s LEU 46 Cb -0.11 -3.28 -0.14 0.00 0.50 0.00 0.00 46.19 43.17 1lqe s LEU 46 CO 0.01 -0.69 0.81 2.30 -1.32 0.00 0.00 176.35 177.46 1lqe n ILE 47 N 5.59 0.00 -3.89 6.68 -5.35 -0.51 -0.66 119.36 121.23 1lqe n ILE 47 Ca 0.07 -0.15 -0.02 0.00 -0.27 0.00 0.00 62.75 62.38 1lqe n ILE 47 Cb 0.48 1.07 0.01 0.00 -1.74 0.00 0.00 39.64 39.46 1lqe n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1lqe s ASN 48 N -2.51 -0.01 0.54 7.28 6.03 -1.21 -4.63 114.94 120.44 1lqe s ASN 48 Ca 0.09 -0.56 0.36 0.00 -1.03 0.00 0.00 52.86 51.72 1lqe s ASN 48 Cb 0.14 0.43 1.91 0.00 -3.03 0.00 0.00 41.25 40.70 1lqe s ASN 48 CO 0.65 -0.85 2.11 0.77 -2.03 0.00 0.00 177.10 177.75 1lqe h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.96 -3.13 113.55 118.64 1lqe h SER 49 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1lqe h SER 49 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1lqe h SER 49 CO 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 1lqe n GLN 50 N -2.82 -0.22 -4.41 4.77 6.02 -1.26 0.14 117.38 119.60 1lqe n GLN 50 Ca -0.02 -0.48 -0.19 0.00 -0.01 0.00 0.00 57.00 56.30 1lqe n GLN 50 Cb 0.09 -0.84 -0.14 0.00 1.02 0.00 0.00 30.24 30.37 1lqe n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1lqe s TRP 51 N -0.11 0.96 0.02 1.08 0.52 -1.19 -0.66 118.94 119.56 1lqe s TRP 51 Ca 0.00 -0.21 0.07 0.00 0.02 0.00 0.00 56.10 55.98 1lqe s TRP 51 Cb 0.00 -0.61 -0.02 0.00 -1.15 0.00 0.00 33.47 31.69 1lqe s TRP 51 CO 0.00 -0.01 -0.20 0.08 0.02 0.00 0.00 176.95 176.84 1lqe s VAL 52 N -0.37 1.62 -0.13 4.03 1.01 -0.18 -1.42 120.40 124.95 1lqe s VAL 52 Ca 0.03 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 1lqe s VAL 52 Cb -0.05 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1lqe s VAL 52 CO -0.00 0.29 -0.06 -0.69 0.00 0.00 0.00 175.10 174.64 1lqe s VAL 53 N -0.68 3.71 0.00 2.92 1.01 -0.02 -0.18 120.40 127.17 1lqe s VAL 53 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1lqe s VAL 53 Cb -0.08 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1lqe s VAL 53 CO 0.01 0.52 0.00 -0.24 0.00 0.00 0.00 175.10 175.39 1lqe n SER 54 N 3.25 0.00 -4.85 3.32 2.88 0.66 -1.11 113.62 117.78 1lqe n SER 54 Ca -0.18 -1.00 -0.35 0.00 -1.33 0.00 0.00 58.87 56.02 1lqe n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1lqe n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lqe s ALA 55 N -1.76 3.58 0.42 -1.46 0.00 -1.26 -0.77 121.76 120.51 1lqe s ALA 55 Ca 0.00 -0.15 0.12 0.00 0.00 0.00 0.00 51.96 51.93 1lqe s ALA 55 Cb 0.00 -2.51 0.91 0.00 0.00 0.00 0.00 23.12 21.52 1lqe s ALA 55 CO 0.00 0.46 1.97 0.00 0.00 0.00 0.00 175.76 178.19 1lqe h ALA 56 N 3.52 1.63 0.00 0.00 0.00 -1.69 -1.80 119.26 120.93 1lqe h ALA 56 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1lqe h ALA 56 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1lqe h ALA 56 CO 0.66 0.27 0.00 -2.39 0.00 0.00 0.00 179.25 177.79 1lqe n HIS 57 N -4.33 0.00 1.32 0.00 1.44 -1.26 -1.97 115.22 110.42 1lqe n HIS 57 Ca -0.01 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.83 1lqe n HIS 57 Cb 0.23 -0.20 0.38 0.00 0.12 0.00 0.00 29.99 30.51 1lqe n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1lqe n TYR 59 N 0.24 2.57 -3.57 0.00 4.19 -0.83 -4.99 117.16 114.76 1lqe n TYR 59 Ca 0.16 0.36 -0.06 0.00 3.31 0.00 0.00 57.90 61.68 1lqe n TYR 59 Cb 0.41 -2.53 -0.02 0.00 0.49 0.00 0.00 39.34 37.70 1lqe n TYR 59 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 1lqe s LYS 60 N -0.74 0.63 0.51 2.98 -2.85 -1.26 -5.16 119.74 113.84 1lqe s LYS 60 Ca 0.64 -0.26 -0.04 0.00 -1.00 0.00 0.00 55.97 55.30 1lqe s LYS 60 Cb -0.55 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 35.47 1lqe s LYS 60 CO 0.52 -0.28 0.79 -1.54 0.10 0.00 0.00 175.35 174.94 1lqe s SER 61 N -2.46 5.97 -0.81 0.03 1.04 -1.26 -4.44 113.70 111.77 1lqe s SER 61 Ca 0.08 0.73 -0.02 0.00 0.48 0.00 0.00 55.95 57.22 1lqe s SER 61 Cb -0.01 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1lqe s SER 61 CO -0.06 -0.75 0.69 0.61 0.98 0.00 0.00 173.24 174.71 1lqe n GLY 62 N -2.32 -0.04 3.70 7.32 0.00 -1.26 -5.00 105.19 107.60 1lqe n GLY 62 Ca 0.02 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1lqe n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lqe s ILE 63 N -3.22 5.21 -0.19 -0.61 1.01 -1.26 -4.58 121.20 117.56 1lqe s ILE 63 Ca 0.16 0.79 -0.03 0.00 0.00 0.00 0.00 60.65 61.57 1lqe s ILE 63 Cb -0.07 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 1lqe s ILE 63 CO 0.47 0.31 -0.06 -1.58 0.00 0.00 0.00 174.94 174.08 1lqe s GLN 64 N 0.86 3.43 -0.17 2.79 0.74 0.16 -1.91 119.66 125.56 1lqe s GLN 64 Ca 0.22 -0.62 -0.21 0.00 0.05 0.00 0.00 55.36 54.80 1lqe s GLN 64 Cb -0.14 -2.93 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 1lqe s GLN 64 CO 0.08 -0.05 0.65 0.08 -0.55 0.00 0.00 175.29 175.50 1lqe s VAL 65 N 1.09 5.02 -0.29 1.34 1.01 0.88 -0.50 120.40 128.95 1lqe s VAL 65 Ca 0.01 1.26 -0.05 0.00 0.00 0.00 0.00 61.98 63.19 1lqe s VAL 65 Cb -0.15 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.28 1lqe s VAL 65 CO -0.00 0.14 0.05 -0.13 0.00 0.00 0.00 175.10 175.15 1lqe s ARG 66 N 1.67 2.94 0.21 2.72 0.52 0.50 -0.94 118.95 126.57 1lqe s ARG 66 Ca 0.31 -0.94 0.06 0.00 -0.52 0.00 0.00 55.73 54.63 1lqe s ARG 66 Cb -0.16 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 1lqe s ARG 66 CO 0.12 -0.47 0.22 -0.51 0.02 0.00 0.00 175.30 174.68 1lqe s LEU 67 N 1.44 3.97 -1.31 2.53 1.43 -0.13 -1.29 118.68 125.32 1lqe s LEU 67 Ca 0.01 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1lqe s LEU 67 Cb -0.17 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1lqe s LEU 67 CO 0.01 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1lqe n GLY 69 N -0.90 0.82 3.83 -3.19 0.00 -1.26 -1.30 105.19 103.19 1lqe n GLY 69 Ca -0.08 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1lqe n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lqe s GLU 70 N -3.69 4.13 0.00 1.61 0.41 -1.26 -3.93 118.70 115.98 1lqe s GLU 70 Ca 0.00 0.71 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 1lqe s GLU 70 Cb 0.00 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.48 1lqe s GLU 70 CO 0.00 0.41 0.00 -3.47 -0.49 0.00 0.00 175.26 171.71 1lqe n ASP 71 N 0.68 0.00 -4.55 -0.19 2.03 -1.26 -4.63 116.55 108.63 1lqe n ASP 71 Ca -0.03 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.85 1lqe n ASP 71 Cb 0.51 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 1lqe n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1lqe s ASN 72 N -2.13 6.46 0.00 1.67 3.84 -1.26 -2.89 114.94 120.64 1lqe s ASN 72 Ca 0.00 0.02 0.18 0.00 0.21 0.00 0.00 52.86 53.27 1lqe s ASN 72 Cb 0.00 -2.42 0.83 0.00 -0.55 0.00 0.00 41.25 39.11 1lqe s ASN 72 CO 0.00 -0.98 1.55 2.30 -2.79 0.00 0.00 177.10 177.18 1lqe n ILE 73 N 6.27 0.63 0.74 -5.21 -5.35 0.09 -3.05 119.36 113.48 1lqe n ILE 73 Ca 0.04 0.16 0.09 0.00 -0.27 0.00 0.00 62.75 62.77 1lqe n ILE 73 Cb 0.48 -0.86 0.05 0.00 -1.74 0.00 0.00 39.64 37.58 1lqe n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1lqe n ASN 74 N -1.39 2.25 -3.98 7.28 3.02 -1.26 -4.96 115.26 116.22 1lqe n ASN 74 Ca 0.06 -1.62 -0.16 0.00 -0.03 0.00 0.00 54.58 52.83 1lqe n ASN 74 Cb 0.17 0.13 -0.14 0.00 -0.61 0.00 0.00 39.78 39.33 1lqe n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1lqe s VAL 75 N -1.61 0.48 -0.35 2.41 1.01 -1.17 -5.11 120.40 116.07 1lqe s VAL 75 Ca 0.19 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.64 1lqe s VAL 75 Cb 0.14 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 36.12 1lqe s VAL 75 CO 0.28 0.12 0.83 -0.69 0.00 0.00 0.00 175.10 175.63 1lqe s VAL 76 N -0.19 4.71 -0.19 2.92 1.01 -1.26 -4.74 120.40 122.66 1lqe s VAL 76 Ca 0.02 1.07 0.06 0.00 0.00 0.00 0.00 61.98 63.13 1lqe s VAL 76 Cb -0.03 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 1lqe s VAL 76 CO -0.00 -0.41 0.21 -0.62 0.00 0.00 0.00 175.10 174.28 1lqe n GLU 77 N 6.46 3.60 0.00 2.72 1.02 -1.26 -5.11 120.64 128.07 1lqe n GLU 77 Ca 0.04 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1lqe n GLU 77 Cb 0.48 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 1lqe n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lqe n GLY 78 N 1.45 3.08 2.48 0.62 0.00 -1.26 -5.01 105.19 106.55 1lqe n GLY 78 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1lqe n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lqe n ASN 79 N 0.00 0.00 -4.78 1.61 3.02 -1.26 -4.96 115.26 108.88 1lqe n ASN 79 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 1lqe n ASN 79 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1lqe n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1lqe s GLU 80 N -0.27 3.66 -0.07 3.52 8.01 -1.25 -4.29 118.70 128.01 1lqe s GLU 80 Ca 0.00 1.52 -0.02 0.00 0.01 0.00 0.00 54.97 56.48 1lqe s GLU 80 Cb 0.00 -2.14 0.04 0.00 -4.31 0.00 0.00 34.13 27.71 1lqe s GLU 80 CO 0.00 -0.58 0.06 -0.65 0.01 0.00 0.00 175.26 174.10 1lqe s GLN 81 N -3.12 0.06 -0.31 1.61 -0.21 -0.42 -4.97 119.66 112.31 1lqe s GLN 81 Ca 0.68 0.25 -0.11 0.00 0.02 0.00 0.00 55.36 56.20 1lqe s GLN 81 Cb -0.21 -0.83 -0.02 0.00 1.00 0.00 0.00 33.01 32.95 1lqe s GLN 81 CO 0.25 -0.39 0.19 -0.06 -2.12 0.00 0.00 175.29 173.16 1lqe s PHE 82 N 2.13 3.20 -0.05 0.91 2.99 -1.26 -0.96 117.98 124.94 1lqe s PHE 82 Ca 0.04 -0.26 0.03 0.00 0.00 0.00 0.00 56.93 56.74 1lqe s PHE 82 Cb -0.13 -2.39 0.01 0.00 0.00 0.00 0.00 43.02 40.50 1lqe s PHE 82 CO -0.04 -0.34 -0.12 0.42 -0.00 0.00 0.00 175.22 175.14 1lqe s ILE 83 N 1.69 1.05 0.42 0.64 1.01 -0.12 -4.98 121.20 120.91 1lqe s ILE 83 Ca 0.06 -0.47 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 1lqe s ILE 83 Cb -0.17 -0.94 -0.08 0.00 0.01 0.00 0.00 42.46 41.28 1lqe s ILE 83 CO 0.09 0.32 1.09 -0.44 0.00 0.00 0.00 174.94 176.00 1lqe s SER 84 N 0.40 6.55 0.15 3.58 0.01 -1.26 -0.08 113.70 123.05 1lqe s SER 84 Ca -0.09 2.14 -0.30 0.00 1.31 0.00 0.00 55.95 59.01 1lqe s SER 84 Cb -0.13 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.44 1lqe s SER 84 CO 0.02 -0.64 1.07 0.00 0.41 0.00 0.00 173.24 174.10 1lqe s ALA 85 N -1.62 3.34 -0.17 1.44 0.00 -0.80 -0.63 121.76 123.32 1lqe s ALA 85 Ca 0.60 0.76 -0.17 0.00 0.00 0.00 0.00 51.96 53.15 1lqe s ALA 85 Cb -0.24 -3.34 -0.22 0.00 0.00 0.00 0.00 23.12 19.31 1lqe s ALA 85 CO 0.30 -0.18 0.30 1.03 0.00 0.00 0.00 175.76 177.21 1lqe h SER 86 N 5.32 0.16 -4.42 0.00 0.87 0.13 -3.43 113.55 112.18 1lqe h SER 86 Ca -0.44 -0.68 -0.17 0.00 -1.23 0.00 0.00 61.79 59.27 1lqe h SER 86 Cb 1.21 -0.05 -0.23 0.00 -0.44 0.00 0.00 62.40 62.89 1lqe h SER 86 CO 0.73 1.61 -0.53 -0.54 -0.53 0.00 0.00 176.83 177.56 1lqe s LYS 87 N -2.43 0.32 -0.19 2.24 1.02 -1.15 -4.99 119.74 114.57 1lqe s LYS 87 Ca -0.26 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 55.61 1lqe s LYS 87 Cb 0.06 0.14 0.03 0.00 -0.52 0.00 0.00 37.83 37.54 1lqe s LYS 87 CO 0.66 -0.07 -0.15 -1.12 -0.92 0.00 0.00 175.35 173.75 1lqe s SER 88 N -0.71 3.26 -0.56 2.83 0.01 -1.26 -0.42 113.70 116.84 1lqe s SER 88 Ca -0.08 -0.76 -0.08 0.00 1.31 0.00 0.00 55.95 56.34 1lqe s SER 88 Cb -0.05 -1.36 0.15 0.00 0.21 0.00 0.00 66.02 64.97 1lqe s SER 88 CO 0.01 -0.07 0.43 -0.63 0.41 0.00 0.00 173.24 173.38 1lqe s ILE 89 N 1.34 4.27 0.28 1.44 1.01 0.16 -4.97 121.20 124.73 1lqe s ILE 89 Ca 0.02 -2.20 -0.29 0.00 0.00 0.00 0.00 60.65 58.18 1lqe s ILE 89 Cb -0.15 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.45 1lqe s ILE 89 CO -0.10 -0.84 1.13 -0.69 0.00 0.00 0.00 174.94 174.44 1lqe s VAL 90 N 0.81 3.38 0.15 2.92 1.01 -1.26 -1.70 120.40 125.71 1lqe s VAL 90 Ca 0.11 1.38 -0.33 0.00 0.00 0.00 0.00 61.98 63.13 1lqe s VAL 90 Cb -0.22 -3.88 -0.13 0.00 0.00 0.00 0.00 36.38 32.15 1lqe s VAL 90 CO -0.03 0.32 1.64 1.57 0.00 0.00 0.00 175.10 178.60 1lqe n HIS 91 N 1.20 2.38 -0.01 5.22 -0.00 -0.85 -4.85 115.22 118.32 1lqe n HIS 91 Ca -0.01 0.19 0.23 0.00 0.46 0.00 0.00 57.72 58.58 1lqe n HIS 91 Cb 0.44 -2.58 0.72 0.00 -0.12 0.00 0.00 29.99 28.45 1lqe n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1lqe h PRO 92 N 6.46 0.00 -0.54 1.57 0.11 -1.92 -1.08 132.00 136.60 1lqe h PRO 92 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1lqe h PRO 92 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1lqe h PRO 92 CO 0.91 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.13 1lqe n SER 93 N -4.03 4.56 -4.73 -2.05 7.64 -1.26 -4.99 113.62 108.75 1lqe n SER 93 Ca 0.11 -2.56 -0.42 0.00 1.01 0.00 0.00 58.87 57.01 1lqe n SER 93 Cb 0.71 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 63.34 1lqe n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1lqe s TYR 94 N -2.05 2.90 -0.24 1.43 6.14 -0.41 -4.72 117.35 120.40 1lqe s TYR 94 Ca 0.47 0.65 -0.01 0.00 0.64 0.00 0.00 57.07 58.82 1lqe s TYR 94 Cb 0.32 -4.03 0.03 0.00 0.42 0.00 0.00 41.96 38.70 1lqe s TYR 94 CO 0.20 -3.65 -0.08 1.21 0.64 0.00 0.00 175.55 173.86 1lqe s ASN 95 N 0.83 4.20 0.26 4.32 3.84 -0.62 -5.00 114.94 122.76 1lqe s ASN 95 Ca 0.68 -0.92 0.23 0.00 0.21 0.00 0.00 52.86 53.05 1lqe s ASN 95 Cb -0.47 -1.63 0.99 0.00 -0.55 0.00 0.00 41.25 39.59 1lqe s ASN 95 CO 0.39 -0.12 1.70 -1.54 -2.79 0.00 0.00 177.10 174.73 1lqe n SER 96 N 4.63 0.65 -0.03 -4.21 3.41 -1.26 0.83 113.62 117.63 1lqe n SER 96 Ca -0.17 0.67 -0.18 0.00 -0.26 0.00 0.00 58.87 58.94 1lqe n SER 96 Cb 0.47 -0.80 -0.14 0.00 -0.26 0.00 0.00 64.21 63.48 1lqe n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1lqe n ASN 97 N -2.22 1.76 0.04 4.04 5.03 -1.26 -4.37 115.26 118.27 1lqe n ASN 97 Ca 0.02 0.17 0.11 0.00 0.87 0.00 0.00 54.58 55.75 1lqe n ASN 97 Cb 0.21 -0.53 -0.09 0.00 -1.02 0.00 0.00 39.78 38.35 1lqe n ASN 97 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1lqe n THR 98 N -3.32 0.25 -1.29 3.41 -2.24 -1.17 -4.96 114.28 104.95 1lqe n THR 98 Ca -0.32 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 60.88 1lqe n THR 98 Cb 1.04 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.14 1lqe n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1lqe n LEU 99 N -2.37 -0.62 -4.75 3.22 4.77 0.24 -4.98 117.00 112.52 1lqe n LEU 99 Ca -0.02 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.80 1lqe n LEU 99 Cb 0.55 -1.86 -0.04 0.00 -2.33 0.00 0.00 43.42 39.74 1lqe n LEU 99 CO 0.43 -0.64 0.86 0.21 -1.33 0.00 0.00 177.39 176.92 1lqe s ASN 100 N -2.70 7.12 -0.79 -1.43 3.04 -1.19 -2.96 114.94 116.02 1lqe s ASN 100 Ca 0.00 2.29 -0.05 0.00 0.04 0.00 0.00 52.86 55.14 1lqe s ASN 100 Cb 0.00 -2.62 0.01 0.00 -1.54 0.00 0.00 41.25 37.10 1lqe s ASN 100 CO 0.00 -0.31 0.61 0.59 -3.04 0.00 0.00 177.10 174.95 1lqe n ASN 101 N 1.92 -4.42 -4.10 -4.21 5.03 -1.26 -1.59 115.26 106.63 1lqe n ASN 101 Ca 0.02 -0.28 -0.41 0.00 0.87 0.00 0.00 54.58 54.78 1lqe n ASN 101 Cb 0.44 -3.05 -0.01 0.00 -1.02 0.00 0.00 39.78 36.14 1lqe n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1lqe n ASP 102 N -0.98 4.06 -3.84 6.41 2.03 -1.16 -4.38 116.55 118.70 1lqe n ASP 102 Ca -0.01 -2.84 -0.12 0.00 0.52 0.00 0.00 54.79 52.34 1lqe n ASP 102 Cb 0.54 -1.64 -0.11 0.00 -0.72 0.00 0.00 41.12 39.19 1lqe n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1lqe s ILE 103 N 4.36 0.04 -0.11 5.18 2.07 -1.26 -3.76 121.20 127.71 1lqe s ILE 103 Ca 0.52 -0.31 -0.10 0.00 -1.41 0.00 0.00 60.65 59.35 1lqe s ILE 103 Cb 0.09 -0.33 0.03 0.00 0.13 0.00 0.00 42.46 42.38 1lqe s ILE 103 CO 0.01 -0.17 0.30 -0.32 -1.91 0.00 0.00 174.94 172.85 1lqe s MET 104 N -0.57 0.35 -0.05 3.50 -2.45 0.05 -2.00 119.30 118.12 1lqe s MET 104 Ca -0.07 0.42 -0.01 0.00 -1.25 0.00 0.00 55.69 54.78 1lqe s MET 104 Cb -0.04 0.17 -0.04 0.00 1.25 0.00 0.00 34.83 36.17 1lqe s MET 104 CO 0.01 -0.04 0.03 -0.51 1.05 0.00 0.00 175.02 175.56 1lqe s LEU 105 N 0.18 3.71 -0.10 4.11 1.43 -0.69 -0.25 118.68 127.08 1lqe s LEU 105 Ca -0.00 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1lqe s LEU 105 Cb -0.02 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.23 1lqe s LEU 105 CO 0.00 0.34 -0.14 -0.63 0.23 0.00 0.00 176.35 176.15 1lqe s ILE 106 N -1.01 1.36 -0.12 -0.59 1.01 0.75 0.36 121.20 122.97 1lqe s ILE 106 Ca 0.17 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 60.10 1lqe s ILE 106 Cb -0.12 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 1lqe s ILE 106 CO 0.07 0.41 0.40 -0.75 0.00 0.00 0.00 174.94 175.07 1lqe s LYS 107 N 1.05 4.25 0.35 2.79 2.20 0.44 -1.02 119.74 129.79 1lqe s LYS 107 Ca -0.06 0.31 -0.24 0.00 -0.36 0.00 0.00 55.97 55.62 1lqe s LYS 107 Cb -0.15 -3.40 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 1lqe s LYS 107 CO -0.02 0.26 0.94 -0.51 -0.36 0.00 0.00 175.35 175.67 1lqe s LEU 108 N 0.32 4.23 0.40 5.43 1.43 0.17 0.78 118.68 131.44 1lqe s LEU 108 Ca 0.22 1.78 0.07 0.00 -1.03 0.00 0.00 54.13 55.17 1lqe s LEU 108 Cb -0.15 -4.16 0.83 0.00 0.03 0.00 0.00 46.19 42.75 1lqe s LEU 108 CO 0.08 -0.15 2.04 0.50 0.23 0.00 0.00 176.35 179.06 1lqe h LYS 109 N 2.82 0.55 -3.89 1.70 3.64 -1.15 -3.41 116.57 116.82 1lqe h LYS 109 Ca -0.47 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.74 1lqe h LYS 109 Cb 1.19 -0.12 -0.18 0.00 -0.41 0.00 0.00 32.23 32.71 1lqe h LYS 109 CO 0.64 0.38 -0.56 -1.54 -2.27 0.00 0.00 179.45 176.09 1lqe s SER 110 N -6.68 0.23 0.38 4.20 1.04 -1.26 -4.99 113.70 106.61 1lqe s SER 110 Ca -0.08 -0.60 -0.26 0.00 0.48 0.00 0.00 55.95 55.49 1lqe s SER 110 Cb 0.17 0.21 -0.09 0.00 0.10 0.00 0.00 66.02 66.41 1lqe s SER 110 CO 0.73 -0.50 1.22 0.00 0.98 0.00 0.00 173.24 175.68 1lqe s ALA 111 N -2.67 3.27 0.56 5.32 0.00 -1.26 -4.85 121.76 122.12 1lqe s ALA 111 Ca -0.04 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 1lqe s ALA 111 Cb -0.01 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 1lqe s ALA 111 CO -0.05 -0.59 1.02 0.00 0.00 0.00 0.00 175.76 176.14 1lqe s ALA 112 N -1.30 2.90 -0.50 0.00 0.00 0.12 -5.00 121.76 117.99 1lqe s ALA 112 Ca 0.54 0.28 -0.24 0.00 0.00 0.00 0.00 51.96 52.54 1lqe s ALA 112 Cb -0.34 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.64 1lqe s ALA 112 CO 0.44 -0.54 0.89 -1.12 0.00 0.00 0.00 175.76 175.43 1lqe s SER 113 N -2.96 6.40 0.26 0.00 0.01 -1.26 -4.87 113.70 111.27 1lqe s SER 113 Ca 0.61 -0.18 -0.29 0.00 1.31 0.00 0.00 55.95 57.40 1lqe s SER 113 Cb -0.13 -2.42 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 1lqe s SER 113 CO 0.35 -1.09 0.99 -0.76 0.41 0.00 0.00 173.24 173.14 1lqe s LEU 114 N 3.68 4.59 0.00 2.44 1.02 -1.26 -4.73 118.68 124.42 1lqe s LEU 114 Ca 0.32 2.04 0.00 0.00 0.02 0.00 0.00 54.13 56.50 1lqe s LEU 114 Cb -0.12 -3.65 0.00 0.00 0.02 0.00 0.00 46.19 42.44 1lqe s LEU 114 CO 0.22 0.05 0.00 -0.46 0.02 0.00 0.00 176.35 176.17 1lqe n ASN 115 N 1.31 0.00 0.02 2.29 0.23 0.63 -4.96 115.26 114.77 1lqe n ASN 115 Ca -0.01 -0.39 -0.01 0.00 -0.53 0.00 0.00 54.58 53.64 1lqe n ASN 115 Cb 0.47 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.45 1lqe n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1lqe h SER 116 N 0.00 0.45 0.96 0.53 4.64 -2.00 -3.06 113.55 115.07 1lqe h SER 116 Ca 0.00 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.09 1lqe h SER 116 Cb 0.00 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1lqe h SER 116 CO 0.00 0.58 -1.11 0.03 -0.87 0.00 0.00 176.83 175.46 1lqe h ARG 117 N 0.45 0.00 -4.06 4.77 2.47 -1.94 -3.44 114.38 112.63 1lqe h ARG 117 Ca 0.09 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.22 1lqe h ARG 117 Cb 0.42 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 28.35 1lqe h ARG 117 CO 0.02 0.30 -0.77 0.08 0.56 0.00 0.00 179.97 180.16 1lqe s VAL 118 N -3.00 1.28 0.04 2.04 1.01 -1.16 -4.46 120.40 116.15 1lqe s VAL 118 Ca -0.01 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.68 1lqe s VAL 118 Cb 0.08 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1lqe s VAL 118 CO 0.79 -0.31 0.02 0.00 0.00 0.00 0.00 175.10 175.60 1lqe s ALA 119 N 1.47 0.17 0.48 5.51 0.00 -0.75 -0.27 121.76 128.38 1lqe s ALA 119 Ca 0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 1lqe s ALA 119 Cb -0.18 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1lqe s ALA 119 CO -0.11 -0.29 0.80 -1.54 0.00 0.00 0.00 175.76 174.62 1lqe s SER 120 N -2.21 6.31 0.04 0.00 1.04 -1.26 -2.80 113.70 114.82 1lqe s SER 120 Ca -0.04 1.01 0.03 0.00 0.48 0.00 0.00 55.95 57.43 1lqe s SER 120 Cb -0.00 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 1lqe s SER 120 CO -0.05 -0.57 -0.00 -0.51 0.98 0.00 0.00 173.24 173.08 1lqe s ILE 121 N -2.71 4.08 0.35 -1.02 1.10 0.17 -4.88 121.20 118.28 1lqe s ILE 121 Ca 0.49 -0.79 -0.25 0.00 -0.51 0.00 0.00 60.65 59.58 1lqe s ILE 121 Cb -0.10 -2.88 -0.10 0.00 0.15 0.00 0.00 42.46 39.53 1lqe s ILE 121 CO 0.43 0.25 0.95 -0.44 -2.11 0.00 0.00 174.94 174.02 1lqe s SER 122 N -1.92 7.25 0.34 4.50 0.01 -1.25 -4.56 113.70 118.07 1lqe s SER 122 Ca 0.23 1.81 -0.19 0.00 1.31 0.00 0.00 55.95 59.10 1lqe s SER 122 Cb -0.12 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 1lqe s SER 122 CO 0.14 -0.13 0.83 -0.76 0.41 0.00 0.00 173.24 173.73 1lqe s LEU 123 N -2.30 4.11 0.67 2.44 1.43 -1.26 -0.60 118.68 123.17 1lqe s LEU 123 Ca 0.53 1.51 -0.12 0.00 -1.03 0.00 0.00 54.13 55.02 1lqe s LEU 123 Cb -0.17 -4.14 -0.01 0.00 0.03 0.00 0.00 46.19 41.91 1lqe s LEU 123 CO 0.22 -0.20 1.06 -2.16 0.23 0.00 0.00 176.35 175.49 1lqe s PRO 124 N -2.75 3.06 -0.00 1.29 0.04 -1.26 -4.81 135.00 130.57 1lqe s PRO 124 Ca 0.54 1.01 0.15 0.00 0.04 0.00 0.00 61.00 62.74 1lqe s PRO 124 Cb -0.12 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.24 1lqe s PRO 124 CO 0.17 -1.00 0.62 0.25 0.04 0.00 0.00 177.00 177.08 1lqe n THR 125 N -2.83 0.00 -3.55 1.26 -2.24 -1.26 -4.95 114.28 100.71 1lqe n THR 125 Ca 0.08 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1lqe n THR 125 Cb 0.53 0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 69.64 1lqe n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1lqe s SER 127 N -2.55 -0.45 0.63 3.42 1.04 -1.26 -5.16 113.70 109.37 1lqe s SER 127 Ca 0.05 0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.43 1lqe s SER 127 Cb 0.11 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 1lqe s SER 127 CO 0.62 -0.79 1.08 0.00 0.98 0.00 0.00 173.24 175.13 1lqe s ALA 129 N -2.49 3.52 0.33 0.00 0.00 -1.26 -5.08 121.76 116.78 1lqe s ALA 129 Ca 0.64 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1lqe s ALA 129 Cb -0.17 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1lqe s ALA 129 CO 0.41 0.47 0.51 -1.54 0.00 0.00 0.00 175.76 175.61 1lqe s SER 130 N -2.34 6.22 0.39 0.00 1.04 -1.26 -5.02 113.70 112.73 1lqe s SER 130 Ca 0.49 0.29 -0.25 0.00 0.48 0.00 0.00 55.95 56.96 1lqe s SER 130 Cb -0.11 -1.87 -0.11 0.00 0.10 0.00 0.00 66.02 64.03 1lqe s SER 130 CO 0.20 -0.30 1.06 0.00 0.98 0.00 0.00 173.24 175.18 1lqe n ALA 132 N -1.73 0.33 0.00 5.32 0.00 -1.26 -1.72 120.51 121.45 1lqe n ALA 132 Ca -0.05 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1lqe n ALA 132 Cb 0.57 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1lqe n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqe n GLY 133 N 1.11 3.21 3.74 0.00 0.00 0.11 -4.95 105.19 108.42 1lqe n GLY 133 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1lqe n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lqe s THR 134 N -2.32 2.13 0.00 2.61 2.01 -0.70 -4.59 115.64 114.78 1lqe s THR 134 Ca 0.00 0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.90 1lqe s THR 134 Cb 0.00 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 1lqe s THR 134 CO 0.00 0.01 0.60 -1.58 -0.69 0.00 0.00 174.62 172.97 1lqe s GLN 135 N -0.02 4.32 0.14 4.92 2.00 -1.26 -0.72 119.66 129.04 1lqe s GLN 135 Ca 0.66 0.75 0.03 0.00 -2.00 0.00 0.00 55.36 54.80 1lqe s GLN 135 Cb -0.48 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 29.95 1lqe s GLN 135 CO 0.43 0.38 -0.06 0.00 -0.50 0.00 0.00 175.29 175.54 1lqe s LEU 137 N -3.14 3.21 -0.06 0.00 2.96 0.82 -0.87 118.68 121.60 1lqe s LEU 137 Ca 0.18 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1lqe s LEU 137 Cb 0.05 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1lqe s LEU 137 CO 0.00 0.10 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.36 1lqe s ILE 138 N 0.80 3.08 0.05 6.68 1.01 0.48 -1.00 121.20 132.30 1lqe s ILE 138 Ca -0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 1lqe s ILE 138 Cb -0.14 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1lqe s ILE 138 CO 0.02 0.58 0.02 -0.94 0.00 0.00 0.00 174.94 174.62 1lqe s SER 139 N -0.54 0.38 0.00 3.58 1.04 -1.23 -0.86 113.70 116.07 1lqe s SER 139 Ca 0.07 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1lqe s SER 139 Cb -0.12 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1lqe s SER 139 CO 0.01 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1lqe n GLY 140 N 0.22 0.98 1.47 7.32 0.00 -0.63 -4.48 105.19 110.07 1lqe n GLY 140 Ca -0.15 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 44.83 1lqe n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1lqe n TRP 141 N -0.61 1.69 -1.57 1.61 8.01 -1.26 -2.17 117.44 123.14 1lqe n TRP 141 Ca 0.00 -1.20 -0.30 0.00 -1.31 0.00 0.00 57.50 54.70 1lqe n TRP 141 Cb 0.00 -0.53 0.20 0.00 -2.01 0.00 0.00 31.31 28.97 1lqe n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1lqe s GLY 142 N -1.66 1.69 0.23 6.99 0.00 -1.25 -4.36 107.32 108.96 1lqe s GLY 142 Ca 0.49 -1.06 -0.31 0.00 0.00 0.00 0.00 44.72 43.83 1lqe s GLY 142 CO 0.09 -0.26 1.25 -2.01 0.00 0.00 0.00 173.10 172.17 1lqe n ASN 143 N -4.16 2.00 -0.95 1.64 5.15 -0.03 -3.08 115.26 115.82 1lqe n ASN 143 Ca 0.14 1.15 0.11 0.00 -0.60 0.00 0.00 54.58 55.38 1lqe n ASN 143 Cb 0.59 -1.33 0.14 0.00 -0.53 0.00 0.00 39.78 38.66 1lqe n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1lqe n THR 144 N 1.42 0.26 -4.74 -0.44 -2.24 0.20 -1.50 114.28 107.24 1lqe n THR 144 Ca 0.12 -0.63 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 1lqe n THR 144 Cb 0.29 1.20 -0.13 0.00 -2.10 0.00 0.00 70.33 69.59 1lqe n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1lqe s LYS 145 N -1.58 3.04 0.11 -0.78 -0.14 -1.26 -4.48 119.74 114.65 1lqe s LYS 145 Ca 0.30 -0.65 -0.06 0.00 -1.36 0.00 0.00 55.97 54.20 1lqe s LYS 145 Cb 0.19 -2.58 -0.16 0.00 -1.68 0.00 0.00 37.83 33.60 1lqe s LYS 145 CO 0.28 0.42 1.24 0.66 -0.76 0.00 0.00 175.35 177.19 1lqe h SER 146 N 6.04 0.58 -3.71 2.83 4.64 -1.92 -3.41 113.55 118.60 1lqe h SER 146 Ca -0.36 -0.50 -0.65 0.00 -0.47 0.00 0.00 61.79 59.80 1lqe h SER 146 Cb 1.18 -0.18 -0.39 0.00 -0.31 0.00 0.00 62.40 62.71 1lqe h SER 146 CO 0.54 1.32 -0.76 -0.55 -0.87 0.00 0.00 176.83 176.52 1lqe s SER 147 N -7.16 4.51 0.00 4.97 0.15 -1.26 -4.59 113.70 110.32 1lqe s SER 147 Ca -0.06 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 54.83 1lqe s SER 147 Cb 0.08 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 1lqe s SER 147 CO 0.88 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.63 1lqe n GLY 148 N 4.40 -1.17 3.20 9.45 0.00 -1.26 -5.03 105.19 114.78 1lqe n GLY 148 Ca -0.04 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.50 1lqe n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lqe s THR 149 N -0.30 1.74 -0.29 2.61 2.01 -1.26 -4.57 115.64 115.57 1lqe s THR 149 Ca 0.00 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1lqe s THR 149 Cb 0.00 -1.48 0.19 0.00 0.01 0.00 0.00 72.50 71.22 1lqe s THR 149 CO 0.00 0.49 0.67 -0.55 -0.69 0.00 0.00 174.62 174.54 1lqe s SER 150 N -0.05 -1.37 -0.15 3.53 0.15 -1.26 -4.95 113.70 109.60 1lqe s SER 150 Ca -0.04 0.40 -0.10 0.00 0.70 0.00 0.00 55.95 56.90 1lqe s SER 150 Cb -0.13 1.96 -0.05 0.00 -1.71 0.00 0.00 66.02 66.10 1lqe s SER 150 CO 0.03 -0.25 0.19 -0.31 1.20 0.00 0.00 173.24 174.10 1lqe s TYR 151 N 2.86 3.51 0.65 3.44 2.02 -1.26 -0.63 117.35 127.93 1lqe s TYR 151 Ca 0.14 0.50 -0.09 0.00 -0.37 0.00 0.00 57.07 57.26 1lqe s TYR 151 Cb -0.11 -2.14 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 1lqe s TYR 151 CO -0.23 0.45 1.01 -1.25 -1.57 0.00 0.00 175.55 173.96 1lqe s PRO 152 N -0.17 2.93 -0.11 -1.71 0.04 -1.26 -5.01 135.00 129.71 1lqe s PRO 152 Ca 0.13 0.28 -0.09 0.00 0.04 0.00 0.00 61.00 61.37 1lqe s PRO 152 Cb -0.12 -2.13 -0.26 0.00 0.04 0.00 0.00 34.50 32.02 1lqe s PRO 152 CO 0.02 -0.86 0.41 -0.44 0.04 0.00 0.00 177.00 176.17 1lqe h ASP 153 N -0.43 0.42 -2.47 6.66 3.32 -1.94 -3.47 116.42 118.52 1lqe h ASP 153 Ca -0.45 -0.92 -0.53 0.00 0.02 0.00 0.00 57.03 55.15 1lqe h ASP 153 Cb 1.25 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 1lqe h ASP 153 CO 0.62 1.82 -0.50 0.68 -1.72 0.00 0.00 179.24 180.14 1lqe s VAL 154 N -2.54 4.90 0.22 -1.35 -7.23 -1.26 -0.73 120.40 112.41 1lqe s VAL 154 Ca -0.22 -0.99 -0.31 0.00 -1.81 0.00 0.00 61.98 58.65 1lqe s VAL 154 Cb 0.06 -3.57 -0.11 0.00 0.56 0.00 0.00 36.38 33.32 1lqe s VAL 154 CO 0.77 -0.19 1.62 -0.22 -0.31 0.00 0.00 175.10 176.77 1lqe s LEU 155 N -3.45 4.37 0.05 1.32 2.96 -1.14 -4.86 118.68 117.93 1lqe s LEU 155 Ca 0.33 2.79 0.03 0.00 -0.22 0.00 0.00 54.13 57.05 1lqe s LEU 155 Cb -0.10 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1lqe s LEU 155 CO 0.26 -0.89 0.03 -0.54 -1.32 0.00 0.00 176.35 173.90 1lqe s LYS 156 N 0.66 2.79 0.16 1.98 -0.14 -0.92 -1.91 119.74 122.36 1lqe s LYS 156 Ca 0.69 -0.68 0.09 0.00 -1.36 0.00 0.00 55.97 54.71 1lqe s LYS 156 Cb -0.47 -2.68 -0.04 0.00 -1.68 0.00 0.00 37.83 32.96 1lqe s LYS 156 CO 0.36 0.59 -0.18 0.00 -0.76 0.00 0.00 175.35 175.36 1lqe s LEU 158 N -2.64 -0.46 -0.20 0.00 2.96 -0.04 -0.34 118.68 117.96 1lqe s LEU 158 Ca 0.15 1.12 -0.14 0.00 -0.22 0.00 0.00 54.13 55.04 1lqe s LEU 158 Cb -0.06 1.70 -0.04 0.00 0.50 0.00 0.00 46.19 48.29 1lqe s LEU 158 CO 0.07 -0.21 0.33 -0.54 -1.32 0.00 0.00 176.35 174.68 1lqe s LYS 159 N 1.68 4.18 -0.02 1.98 1.02 -1.26 -0.38 119.74 126.93 1lqe s LYS 159 Ca -0.09 0.10 -0.07 0.00 0.02 0.00 0.00 55.97 55.93 1lqe s LYS 159 Cb -0.08 -3.51 0.01 0.00 -0.52 0.00 0.00 37.83 33.73 1lqe s LYS 159 CO -0.15 0.05 0.16 0.00 -0.92 0.00 0.00 175.35 174.49 1lqe s ALA 160 N 1.05 -0.40 0.31 5.17 0.00 -0.05 -4.95 121.76 122.89 1lqe s ALA 160 Ca 0.17 0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 1lqe s ALA 160 Cb -0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1lqe s ALA 160 CO 0.06 -0.17 0.58 -1.25 0.00 0.00 0.00 175.76 174.99 1lqe s PRO 161 N -0.82 3.64 0.05 0.00 0.04 -1.26 -0.62 135.00 136.02 1lqe s PRO 161 Ca -0.09 0.05 -0.30 0.00 0.04 0.00 0.00 61.00 60.70 1lqe s PRO 161 Cb -0.05 -2.62 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 1lqe s PRO 161 CO 0.01 0.18 1.06 0.42 0.04 0.00 0.00 177.00 178.71 1lqe s ILE 162 N -2.13 4.48 0.57 0.56 1.01 0.10 -1.69 121.20 124.09 1lqe s ILE 162 Ca 0.45 1.84 -0.05 0.00 0.00 0.00 0.00 60.65 62.88 1lqe s ILE 162 Cb -0.11 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.20 1lqe s ILE 162 CO 0.30 0.18 0.87 -0.76 0.00 0.00 0.00 174.94 175.53 1lqe s LEU 163 N 0.77 3.28 0.55 2.97 1.43 0.04 0.09 118.68 127.82 1lqe s LEU 163 Ca 0.53 0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 54.07 1lqe s LEU 163 Cb -0.25 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 1lqe s LEU 163 CO 0.29 -1.03 1.09 -0.94 0.23 0.00 0.00 176.35 175.99 1lqe s SER 164 N -4.30 5.80 0.40 2.29 1.04 -1.26 -4.64 113.70 113.02 1lqe s SER 164 Ca 0.53 2.04 0.06 0.00 0.48 0.00 0.00 55.95 59.06 1lqe s SER 164 Cb -0.10 -2.56 0.82 0.00 0.10 0.00 0.00 66.02 64.28 1lqe s SER 164 CO 0.44 -1.16 2.05 0.44 0.98 0.00 0.00 173.24 175.99 1lqe h ASP 165 N 1.01 0.50 -0.52 7.02 3.32 -1.97 -1.43 116.42 124.36 1lqe h ASP 165 Ca -0.49 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 1lqe h ASP 165 Cb 1.24 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1lqe h ASP 165 CO 0.57 0.37 0.16 0.77 -1.72 0.00 0.00 179.24 179.39 1lqe h SER 166 N 0.59 0.77 -0.36 6.45 4.64 -1.99 -0.09 113.55 123.56 1lqe h SER 166 Ca 0.16 -0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 61.17 1lqe h SER 166 Cb -0.06 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 1lqe h SER 166 CO -0.03 0.78 -0.13 0.28 -0.87 0.00 0.00 176.83 176.85 1lqe h SER 167 N 0.72 0.81 0.46 4.97 0.02 -1.78 -1.62 113.55 117.13 1lqe h SER 167 Ca 0.17 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1lqe h SER 167 Cb 0.29 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1lqe h SER 167 CO -0.00 0.95 -0.22 0.00 -1.14 0.00 0.00 176.83 176.41 1lqe h LYS 169 N -0.75 0.00 0.00 0.00 1.57 -1.00 -1.20 116.57 115.20 1lqe h LYS 169 Ca -0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1lqe h LYS 169 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1lqe h LYS 169 CO 0.10 0.16 -0.34 0.66 -0.57 0.00 0.00 179.45 179.46 1lqe h SER 170 N 0.00 0.00 0.58 0.86 4.64 -1.15 -1.44 113.55 117.04 1lqe h SER 170 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1lqe h SER 170 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1lqe h SER 170 CO 0.02 0.34 -1.24 0.00 -0.87 0.00 0.00 176.83 175.09 1lqe h ALA 171 N 1.66 0.10 -2.08 5.18 0.00 -0.51 -3.39 119.26 120.21 1lqe h ALA 171 Ca -0.00 -0.87 -0.57 0.00 0.00 0.00 0.00 54.91 53.47 1lqe h ALA 171 Cb 1.17 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.58 1lqe h ALA 171 CO 0.04 0.94 -0.93 0.66 0.00 0.00 0.00 179.25 179.96 1lqe n TYR 172 N -3.57 1.20 -1.68 0.00 4.02 -0.56 -4.97 117.16 111.62 1lqe n TYR 172 Ca -0.09 -3.80 -0.46 0.00 -0.01 0.00 0.00 57.90 53.54 1lqe n TYR 172 Cb 1.01 -0.43 -0.04 0.00 -0.02 0.00 0.00 39.34 39.86 1lqe n TYR 172 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1lqe n PRO 173 N 1.03 2.24 -0.95 -0.72 -0.04 -0.55 -1.86 135.00 134.15 1lqe n PRO 173 Ca 0.25 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.52 1lqe n PRO 173 Cb 0.50 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1lqe n PRO 173 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lqe n GLY 174 N 3.79 0.86 0.14 0.55 0.00 -1.26 -4.84 105.19 104.43 1lqe n GLY 174 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 1lqe n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lqe n GLN 175 N -2.04 2.78 -3.49 1.61 6.02 -0.78 -4.96 117.38 116.52 1lqe n GLN 175 Ca 0.00 -0.39 -0.39 0.00 -0.01 0.00 0.00 57.00 56.21 1lqe n GLN 175 Cb 0.00 -1.00 -0.10 0.00 1.02 0.00 0.00 30.24 30.16 1lqe n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1lqe s ILE 176 N -1.43 5.24 0.50 5.09 -1.09 -1.24 -5.05 121.20 123.22 1lqe s ILE 176 Ca 0.06 0.36 0.08 0.00 -2.23 0.00 0.00 60.65 58.93 1lqe s ILE 176 Cb 0.07 -3.61 0.05 0.00 -1.58 0.00 0.00 42.46 37.38 1lqe s ILE 176 CO 0.26 0.20 0.68 0.42 -1.23 0.00 0.00 174.94 175.28 1lqe s THR 177 N 1.91 2.62 -0.79 2.92 -4.23 -1.26 -4.98 115.64 111.83 1lqe s THR 177 Ca 0.11 -0.97 0.13 0.00 -1.18 0.00 0.00 61.69 59.77 1lqe s THR 177 Cb -0.16 -2.65 0.12 0.00 1.34 0.00 0.00 72.50 71.16 1lqe s THR 177 CO 0.10 0.00 1.40 -1.54 -0.54 0.00 0.00 174.62 174.04 1lqe n SER 178 N -2.06 0.20 -1.90 3.99 3.41 -1.26 -1.93 113.62 114.08 1lqe n SER 178 Ca 0.11 0.57 0.01 0.00 -0.26 0.00 0.00 58.87 59.30 1lqe n SER 178 Cb 0.60 -0.60 0.36 0.00 -0.26 0.00 0.00 64.21 64.30 1lqe n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1lqe n ASN 179 N -1.74 5.25 -4.05 4.04 3.02 -1.26 -4.90 115.26 115.61 1lqe n ASN 179 Ca 0.01 -3.08 -0.11 0.00 -0.03 0.00 0.00 54.58 51.37 1lqe n ASN 179 Cb 0.11 -0.71 -0.11 0.00 -0.61 0.00 0.00 39.78 38.46 1lqe n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1lqe s MET 180 N -2.89 0.49 0.03 3.52 -1.94 -0.81 -1.24 119.30 116.46 1lqe s MET 180 Ca 0.54 -0.79 -0.09 0.00 -1.71 0.00 0.00 55.69 53.64 1lqe s MET 180 Cb 0.43 -0.13 0.00 0.00 2.01 0.00 0.00 34.83 37.14 1lqe s MET 180 CO 0.14 0.00 0.18 -0.59 -0.01 0.00 0.00 175.02 174.75 1lqe s PHE 181 N -1.76 0.05 0.03 -0.03 -0.12 -0.49 -4.79 117.98 110.87 1lqe s PHE 181 Ca -0.09 -0.23 -0.01 0.00 -0.05 0.00 0.00 56.93 56.56 1lqe s PHE 181 Cb -0.08 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1lqe s PHE 181 CO -0.01 -0.39 0.17 0.00 -0.05 0.00 0.00 175.22 174.94 1lqe s ALA 183 N -1.40 -0.59 0.00 0.00 0.00 -0.93 -0.78 121.76 118.06 1lqe s ALA 183 Ca 0.30 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1lqe s ALA 183 Cb -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1lqe s ALA 183 CO 0.22 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1lqe n GLY 184 N 1.96 0.65 2.83 0.00 0.00 -0.68 -2.66 105.19 107.27 1lqe n GLY 184 Ca -0.19 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 43.86 1lqe n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lqe s TYR 184 N -2.93 0.93 0.10 1.61 1.51 -1.26 -4.43 117.35 112.89 1lqe s TYR 184 Ca 0.00 -0.35 0.33 0.00 -1.01 0.00 0.00 57.07 56.04 1lqe s TYR 184 Cb 0.00 -0.92 1.58 0.00 -0.11 0.00 0.00 41.96 42.51 1lqe s TYR 184 CO 0.00 -0.37 1.99 -0.07 -1.11 0.00 0.00 175.55 175.99 1lqe h LEU 185 N 8.16 0.00 -0.18 -1.29 3.38 -1.95 -1.26 115.31 122.18 1lqe h LEU 185 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1lqe h LEU 185 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1lqe h LEU 185 CO 0.33 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.24 1lqe n GLU 186 N -2.76 0.23 0.00 1.13 4.71 -1.26 0.03 120.64 122.72 1lqe n GLU 186 Ca -0.01 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 1lqe n GLU 186 Cb 0.17 -1.81 0.00 0.00 -1.01 0.00 0.00 31.44 28.79 1lqe n GLU 186 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1lqe n GLY 187 N 0.98 -2.69 1.95 0.62 0.00 -0.48 -4.51 105.19 101.06 1lqe n GLY 187 Ca 0.05 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1lqe n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lqe n GLY 188 N -0.75 2.84 2.77 -0.02 0.00 -0.29 -4.93 105.19 104.81 1lqe n GLY 188 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1lqe n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lqe s LYS 188 N -0.48 -0.02 -0.07 1.61 1.02 -1.26 -3.64 119.74 116.90 1lqe s LYS 188 Ca 0.00 0.32 -0.32 0.00 0.02 0.00 0.00 55.97 55.99 1lqe s LYS 188 Cb 0.00 -0.32 0.12 0.00 -0.52 0.00 0.00 37.83 37.11 1lqe s LYS 188 CO 0.00 -0.23 1.25 0.34 -0.92 0.00 0.00 175.35 175.79 1lqe s ASP 189 N 1.57 -0.09 0.68 2.83 3.68 -0.67 -4.26 116.67 120.42 1lqe s ASP 189 Ca -0.03 -0.10 -0.05 0.00 2.13 0.00 0.00 52.55 54.50 1lqe s ASP 189 Cb -0.12 0.17 0.07 0.00 -1.45 0.00 0.00 42.92 41.58 1lqe s ASP 189 CO -0.04 -0.30 0.97 -0.94 0.13 0.00 0.00 175.17 175.00 1lqe s SER 190 N -2.73 4.78 0.38 -0.34 1.04 -1.26 -0.35 113.70 115.21 1lqe s SER 190 Ca 0.13 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 56.73 1lqe s SER 190 Cb 0.03 -0.89 0.03 0.00 0.10 0.00 0.00 66.02 65.29 1lqe s SER 190 CO -0.04 -1.58 0.62 0.00 0.98 0.00 0.00 173.24 173.22 1lqe n GLN 192 N -0.57 2.20 0.00 0.00 1.13 -1.26 -1.42 117.38 117.46 1lqe n GLN 192 Ca -0.03 0.78 0.00 0.00 -1.94 0.00 0.00 57.00 55.81 1lqe n GLN 192 Cb 0.60 -2.45 0.00 0.00 0.11 0.00 0.00 30.24 28.50 1lqe n GLN 192 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1lqe n GLY 193 N 1.86 1.96 0.14 1.08 0.00 -1.26 -0.85 105.19 108.11 1lqe n GLY 193 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1lqe n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1lqe h ASP 194 N 0.78 0.00 -0.97 1.61 3.45 -1.56 -3.33 116.42 116.39 1lqe h ASP 194 Ca 0.00 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.78 1lqe h ASP 194 Cb 0.00 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 38.86 1lqe h ASP 194 CO 0.00 0.20 -0.38 -1.20 -1.57 0.00 0.00 179.24 176.30 1lqe n SER 195 N -2.93 -0.93 0.00 6.45 7.64 -1.25 -0.67 113.62 121.93 1lqe n SER 195 Ca -0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1lqe n SER 195 Cb 0.63 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1lqe n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lqe n GLY 196 N 1.83 2.90 3.65 0.23 0.00 -0.11 -0.57 105.19 113.12 1lqe n GLY 196 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1lqe n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lqe s GLY 197 N -1.59 1.56 0.45 -0.02 0.00 0.16 -3.57 107.32 104.31 1lqe s GLY 197 Ca 0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 44.72 44.17 1lqe s GLY 197 CO 0.00 0.27 0.93 2.56 0.00 0.00 0.00 173.10 176.86 1lqe s PRO 198 N -4.91 4.07 -0.28 2.90 0.04 -1.26 -0.89 135.00 134.66 1lqe s PRO 198 Ca 0.66 0.96 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 1lqe s PRO 198 Cb -0.19 -2.21 0.09 0.00 0.04 0.00 0.00 34.50 32.23 1lqe s PRO 198 CO 0.58 -0.10 0.08 0.08 0.04 0.00 0.00 177.00 177.69 1lqe s VAL 199 N -2.34 0.70 -0.16 -0.36 1.01 -0.80 -3.57 120.40 114.88 1lqe s VAL 199 Ca 0.59 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1lqe s VAL 199 Cb -0.10 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1lqe s VAL 199 CO 0.22 -0.55 -0.03 -0.69 0.00 0.00 0.00 175.10 174.05 1lqe s VAL 200 N 1.73 3.99 -0.11 2.92 1.01 -0.17 -1.02 120.40 128.74 1lqe s VAL 200 Ca 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1lqe s VAL 200 Cb -0.17 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.48 1lqe s VAL 200 CO -0.22 0.49 -0.06 0.00 0.00 0.00 0.00 175.10 175.31 1lqe n SER 202 N 4.97 -2.27 -0.05 0.00 7.64 -1.26 -2.00 113.62 120.65 1lqe n SER 202 Ca -0.11 -0.74 -0.01 0.00 1.01 0.00 0.00 58.87 59.02 1lqe n SER 202 Cb 0.50 -4.39 -0.00 0.00 -1.01 0.00 0.00 64.21 59.30 1lqe n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lqe n GLY 203 N -1.51 0.34 3.18 0.23 0.00 -1.26 -5.00 105.19 101.16 1lqe n GLY 203 Ca -0.23 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1lqe n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lqe s LYS 204 N -1.03 1.35 -0.48 1.61 -0.14 -0.85 -3.84 119.74 116.37 1lqe s LYS 204 Ca 0.00 -0.69 -0.28 0.00 -1.36 0.00 0.00 55.97 53.64 1lqe s LYS 204 Cb 0.00 -1.34 0.01 0.00 -1.68 0.00 0.00 37.83 34.82 1lqe s LYS 204 CO 0.00 0.36 1.42 -1.17 -0.76 0.00 0.00 175.35 175.20 1lqe s LEU 209 N -0.62 3.50 -0.16 3.17 2.96 0.24 -1.11 118.68 126.67 1lqe s LEU 209 Ca 0.06 0.59 0.17 0.00 -0.22 0.00 0.00 54.13 54.73 1lqe s LEU 209 Cb -0.07 -3.32 -0.24 0.00 0.50 0.00 0.00 46.19 43.05 1lqe s LEU 209 CO -0.00 -1.57 0.13 0.00 -1.32 0.00 0.00 176.35 173.59 1lqe n GLN 210 N 8.34 0.90 -4.19 1.98 1.13 -0.19 -4.02 117.38 121.33 1lqe n GLN 210 Ca 0.15 -0.04 -0.12 0.00 -1.94 0.00 0.00 57.00 55.05 1lqe n GLN 210 Cb 0.49 -1.48 -0.10 0.00 0.11 0.00 0.00 30.24 29.26 1lqe n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1lqe s GLY 211 N -5.11 1.34 -0.05 1.08 0.00 -0.85 -1.73 107.32 102.00 1lqe s GLY 211 Ca -0.09 -1.65 0.02 0.00 0.00 0.00 0.00 44.72 43.00 1lqe s GLY 211 CO 0.77 -1.40 -0.08 -0.42 0.00 0.00 0.00 173.10 171.98 1lqe s ILE 212 N -4.12 0.80 0.03 0.90 1.01 -1.07 -1.91 121.20 116.84 1lqe s ILE 212 Ca 0.35 -0.29 -0.31 0.00 0.00 0.00 0.00 60.65 60.41 1lqe s ILE 212 Cb 0.07 -0.77 -0.10 0.00 0.01 0.00 0.00 42.46 41.67 1lqe s ILE 212 CO 0.10 0.28 1.93 0.52 0.00 0.00 0.00 174.94 177.76 1lqe n VAL 213 N 3.90 0.64 0.00 2.92 0.31 -0.07 -1.41 118.33 124.62 1lqe n VAL 213 Ca -0.24 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1lqe n VAL 213 Cb 0.51 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 1lqe n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1lqe n SER 214 N 6.92 0.00 -0.80 4.52 2.88 -1.01 -0.93 113.62 125.21 1lqe n SER 214 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1lqe n SER 214 Cb 0.38 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1lqe n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1lqe n TRP 215 N -1.93 -0.46 -1.84 0.66 4.27 -0.94 -4.89 117.44 112.31 1lqe n TRP 215 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1lqe n TRP 215 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 1lqe n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1lqe n GLY 216 N 0.00 -1.90 3.21 -1.67 0.00 -1.26 -0.82 105.19 102.75 1lqe n GLY 216 Ca 0.00 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 1lqe n GLY 216 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lqe s SER 217 N -1.97 5.20 0.58 1.61 0.01 -1.26 -5.00 113.70 112.86 1lqe s SER 217 Ca 0.00 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 55.86 1lqe s SER 217 Cb 0.00 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.41 1lqe s SER 217 CO 0.00 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1lqe n GLY 219 N 4.72 0.49 3.16 3.44 0.00 -1.26 -4.64 105.19 111.11 1lqe n GLY 219 Ca -0.10 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1lqe n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqe n ALA 221 N 4.39 -0.77 -2.16 0.00 0.00 -1.26 -4.58 120.51 116.13 1lqe n ALA 221 Ca -0.22 0.20 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 1lqe n ALA 221 Cb 0.54 -2.69 -0.06 0.00 0.00 0.00 0.00 19.45 17.24 1lqe n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1lqe s GLN 221 N -5.30 4.16 0.28 0.00 -1.52 -1.26 -1.14 119.66 114.88 1lqe s GLN 221 Ca 0.11 0.76 -0.30 0.00 -1.95 0.00 0.00 55.36 53.98 1lqe s GLN 221 Cb -0.05 -2.83 -0.12 0.00 -0.22 0.00 0.00 33.01 29.79 1lqe s GLN 221 CO 0.14 0.38 1.58 1.17 -0.25 0.00 0.00 175.29 178.31 1lqe n LYS 222 N 0.59 2.62 -1.08 2.91 4.81 -1.26 -2.16 118.16 124.59 1lqe n LYS 222 Ca -0.02 0.93 -0.03 0.00 -0.87 0.00 0.00 58.31 58.33 1lqe n LYS 222 Cb 0.51 -2.70 -0.01 0.00 0.02 0.00 0.00 35.03 32.85 1lqe n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1lqe n ASN 223 N 2.27 -5.61 -3.59 3.14 5.03 0.10 -4.89 115.26 111.72 1lqe n ASN 223 Ca 0.09 0.07 -0.27 0.00 0.87 0.00 0.00 54.58 55.34 1lqe n ASN 223 Cb 0.36 -3.35 -0.10 0.00 -1.02 0.00 0.00 39.78 35.67 1lqe n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1lqe n LYS 224 N 0.12 1.43 -1.37 3.52 4.76 -0.92 -4.81 118.16 120.90 1lqe n LYS 224 Ca -0.03 -4.05 -0.29 0.00 -2.87 0.00 0.00 58.31 51.07 1lqe n LYS 224 Cb 0.47 -2.00 0.13 0.00 -1.84 0.00 0.00 35.03 31.79 1lqe n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1lqe s PRO 225 N -1.26 1.28 0.50 1.97 0.04 -1.26 -4.28 135.00 131.99 1lqe s PRO 225 Ca 0.31 0.59 -0.20 0.00 0.04 0.00 0.00 61.00 61.74 1lqe s PRO 225 Cb 0.04 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 1lqe s PRO 225 CO -0.14 -2.17 1.05 0.20 0.04 0.00 0.00 177.00 175.99 1lqe s GLY 226 N -3.70 2.52 -0.09 0.56 0.00 -1.09 -4.63 107.32 100.90 1lqe s GLY 226 Ca 0.63 0.64 0.02 0.00 0.00 0.00 0.00 44.72 46.01 1lqe s GLY 226 CO 0.55 0.97 -0.13 0.14 0.00 0.00 0.00 173.10 174.63 1lqe s VAL 227 N -1.95 3.12 0.09 1.40 1.01 -0.00 -2.18 120.40 121.88 1lqe s VAL 227 Ca 0.68 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1lqe s VAL 227 Cb -0.18 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1lqe s VAL 227 CO 0.21 0.56 -0.15 -0.31 0.00 0.00 0.00 175.10 175.42 1lqe s TYR 228 N -0.27 1.33 -0.03 5.22 2.02 0.30 -2.22 117.35 123.71 1lqe s TYR 228 Ca 0.02 -0.48 -0.30 0.00 -0.37 0.00 0.00 57.07 55.94 1lqe s TYR 228 Cb -0.13 -0.73 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 1lqe s TYR 228 CO 0.03 0.10 1.26 0.99 -1.57 0.00 0.00 175.55 176.35 1lqe s THR 229 N -1.48 4.07 -0.98 -0.71 2.01 -0.50 -1.40 115.64 116.66 1lqe s THR 229 Ca 0.02 1.43 -0.24 0.00 0.31 0.00 0.00 61.69 63.21 1lqe s THR 229 Cb -0.09 -3.92 0.05 0.00 0.01 0.00 0.00 72.50 68.55 1lqe s THR 229 CO 0.03 0.01 1.44 -0.75 -0.69 0.00 0.00 174.62 174.65 1lqe s LYS 230 N 2.18 3.52 0.37 4.92 2.20 -0.37 -2.59 119.74 129.96 1lqe s LYS 230 Ca 0.58 -0.99 0.08 0.00 -0.36 0.00 0.00 55.97 55.29 1lqe s LYS 230 Cb -0.27 -5.20 0.81 0.00 -1.51 0.00 0.00 37.83 31.66 1lqe s LYS 230 CO 0.24 -2.23 1.95 0.28 -0.36 0.00 0.00 175.35 175.23 1lqe h VAL 231 N 6.71 0.97 -0.01 4.02 2.07 -1.65 -2.40 116.25 125.96 1lqe h VAL 231 Ca 0.14 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1lqe h VAL 231 Cb 1.02 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1lqe h VAL 231 CO 1.41 0.12 0.22 0.00 0.02 0.00 0.00 177.57 179.34 1lqe n ASN 233 N -2.97 0.20 -0.13 0.00 3.02 -0.90 -3.83 115.26 110.64 1lqe n ASN 233 Ca -0.02 0.08 0.01 0.00 -0.03 0.00 0.00 54.58 54.62 1lqe n ASN 233 Cb 0.28 -0.23 0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1lqe n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1lqe n TYR 234 N -1.39 0.07 -0.12 3.10 4.01 0.98 -4.78 117.16 119.03 1lqe n TYR 234 Ca 0.09 -0.32 -0.06 0.00 -0.16 0.00 0.00 57.90 57.45 1lqe n TYR 234 Cb 0.32 -0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.35 1lqe n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1lqe h VAL 235 N 0.46 0.89 -0.68 -0.72 2.07 -1.64 0.83 116.25 117.46 1lqe h VAL 235 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1lqe h VAL 235 Cb 0.39 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1lqe h VAL 235 CO 0.00 0.05 0.43 0.28 0.02 0.00 0.00 177.57 178.35 1lqe h SER 236 N 0.30 0.80 -0.08 0.57 0.02 -1.88 -1.14 113.55 112.14 1lqe h SER 236 Ca 0.18 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1lqe h SER 236 Cb 0.16 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1lqe h SER 236 CO -0.18 0.60 0.04 -0.25 -1.14 0.00 0.00 176.83 175.90 1lqe h TRP 237 N 0.92 0.12 -0.26 3.45 7.01 -1.73 -0.17 115.95 125.30 1lqe h TRP 237 Ca 0.25 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.28 1lqe h TRP 237 Cb -0.07 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 26.92 1lqe h TRP 237 CO -0.02 0.20 0.02 0.82 -2.79 0.00 0.00 178.44 176.66 1lqe h ILE 238 N 0.00 0.84 -0.22 2.65 2.04 -0.62 0.29 117.51 122.49 1lqe h ILE 238 Ca 0.03 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1lqe h ILE 238 Cb 0.12 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1lqe h ILE 238 CO -0.00 0.02 0.11 0.11 0.00 0.00 0.00 178.15 178.39 1lqe h LYS 239 N 0.10 0.31 -0.39 2.37 1.57 -1.09 -0.80 116.57 118.65 1lqe h LYS 239 Ca 0.12 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1lqe h LYS 239 Cb 0.14 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1lqe h LYS 239 CO -0.19 0.31 -0.05 1.96 -0.57 0.00 0.00 179.45 180.91 1lqe h GLN 240 N 0.24 0.65 -0.21 3.15 4.20 -0.77 -1.55 115.11 120.82 1lqe h GLN 240 Ca 0.08 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 1lqe h GLN 240 Cb 0.09 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1lqe h GLN 240 CO -0.01 0.71 -0.31 1.15 -0.67 0.00 0.00 178.83 179.69 1lqe h THR 241 N 0.61 1.33 -0.40 -0.54 2.02 -0.72 -2.67 112.91 112.53 1lqe h THR 241 Ca 0.12 -1.51 -0.06 0.00 0.77 0.00 0.00 66.41 65.73 1lqe h THR 241 Cb 0.46 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1lqe h THR 241 CO 0.02 0.47 0.02 0.40 0.37 0.00 0.00 175.52 176.80 1lqe h ILE 242 N 0.28 1.21 0.00 3.11 2.04 -1.02 -2.57 117.51 120.56 1lqe h ILE 242 Ca 0.02 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 64.94 1lqe h ILE 242 Cb 0.89 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1lqe h ILE 242 CO 0.07 0.30 -0.46 0.00 0.00 0.00 0.00 178.15 178.05 1lqe h ALA 243 N 1.42 1.23 -0.44 1.87 0.00 -1.21 -2.85 119.26 119.28 1lqe h ALA 243 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1lqe h ALA 243 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1lqe h ALA 243 CO 0.01 0.58 0.00 -1.13 0.00 0.00 0.00 179.25 178.71 1lqe n SER 244 N -3.98 3.04 0.00 0.00 3.41 -1.00 -5.10 113.62 109.98 1lqe n SER 244 Ca -0.02 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1lqe n SER 244 Cb 0.49 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1lqe n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47