#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xuf s VAL 17 N 0.00 5.23 -0.96 1.39 1.01 0.82 -4.28 120.40 123.61 1xuf s VAL 17 Ca 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 1xuf s VAL 17 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1xuf s VAL 17 CO 0.00 0.43 0.46 0.61 0.00 0.00 0.00 175.10 176.60 1xuf n GLY 18 N 2.92 -0.06 0.00 4.51 0.00 -1.25 -1.68 105.19 109.63 1xuf n GLY 18 Ca -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1xuf n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xuf n GLY 19 N -1.28 2.69 3.22 -0.02 0.00 -1.26 -4.82 105.19 103.71 1xuf n GLY 19 Ca -0.06 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 1xuf n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xuf s TYR 20 N 1.30 1.14 0.02 1.61 1.13 -0.20 -4.94 117.35 117.41 1xuf s TYR 20 Ca 0.00 -0.84 -0.30 0.00 -1.41 0.00 0.00 57.07 54.52 1xuf s TYR 20 Cb 0.00 -0.61 -0.07 0.00 -1.10 0.00 0.00 41.96 40.18 1xuf s TYR 20 CO 0.00 -0.03 1.63 0.99 -2.51 0.00 0.00 175.55 175.63 1xuf s THR 21 N -3.46 3.31 0.20 -3.49 2.01 -1.26 -0.39 115.64 112.55 1xuf s THR 21 Ca 0.16 0.63 -0.11 0.00 0.31 0.00 0.00 61.69 62.68 1xuf s THR 21 Cb 0.04 -3.40 0.12 0.00 0.01 0.00 0.00 72.50 69.27 1xuf s THR 21 CO -0.01 -0.02 1.85 0.00 -0.69 0.00 0.00 174.62 175.76 1xuf n GLY 23 N -1.28 1.81 3.73 0.00 0.00 -1.26 -4.81 105.19 103.38 1xuf n GLY 23 Ca 0.06 -1.40 -0.67 0.00 0.00 0.00 0.00 46.02 44.01 1xuf n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xuf n ALA 24 N 2.88 -1.28 -2.50 4.61 0.00 -1.26 -1.80 120.51 121.15 1xuf n ALA 24 Ca 0.00 0.49 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 1xuf n ALA 24 Cb 0.00 -1.93 -0.01 0.00 0.00 0.00 0.00 19.45 17.51 1xuf n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xuf n ASN 25 N 4.14 -4.48 0.06 0.00 4.13 -1.26 -4.84 115.26 113.01 1xuf n ASN 25 Ca 0.32 0.09 0.13 0.00 1.68 0.00 0.00 54.58 56.80 1xuf n ASN 25 Cb -0.05 -3.77 0.33 0.00 -1.54 0.00 0.00 39.78 34.75 1xuf n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1xuf n THR 26 N -3.62 0.36 -3.40 3.41 -2.24 -0.74 -4.31 114.28 103.74 1xuf n THR 26 Ca -0.16 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 1xuf n THR 26 Cb 0.63 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 1xuf n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1xuf n VAL 27 N -2.02 2.76 0.20 2.28 0.31 -1.26 -4.97 118.33 115.63 1xuf n VAL 27 Ca 0.05 -5.30 0.08 0.00 -0.01 0.00 0.00 64.34 59.15 1xuf n VAL 27 Cb 0.41 -2.11 0.37 0.00 -0.91 0.00 0.00 33.84 31.61 1xuf n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1xuf n PRO 28 N 1.01 0.09 0.00 5.55 -0.04 -1.26 -1.08 135.00 139.27 1xuf n PRO 28 Ca 0.29 0.51 0.11 0.00 -0.04 0.00 0.00 63.50 64.37 1xuf n PRO 28 Cb 0.39 -1.76 0.06 0.00 -0.04 0.00 0.00 33.50 32.15 1xuf n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1xuf n TYR 29 N -1.95 0.00 -2.31 0.54 0.18 -1.22 -1.42 117.16 110.98 1xuf n TYR 29 Ca 0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 1xuf n TYR 29 Cb 0.08 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 38.99 1xuf n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1xuf s GLN 30 N -2.50 4.39 0.14 -3.48 2.00 -0.24 -1.66 119.66 118.30 1xuf s GLN 30 Ca 0.19 1.91 0.09 0.00 -2.00 0.00 0.00 55.36 55.56 1xuf s GLN 30 Cb 0.18 -3.29 -0.04 0.00 0.80 0.00 0.00 33.01 30.66 1xuf s GLN 30 CO 0.57 -0.32 -0.21 0.14 -0.50 0.00 0.00 175.29 174.97 1xuf s VAL 31 N 0.97 1.92 -0.14 1.34 -7.23 -0.45 -4.50 120.40 112.32 1xuf s VAL 31 Ca 0.61 -1.76 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 1xuf s VAL 31 Cb -0.33 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 1xuf s VAL 31 CO 0.30 -0.12 -0.00 -0.55 -0.31 0.00 0.00 175.10 174.42 1xuf s SER 32 N -2.27 5.11 -0.15 4.85 0.15 -0.44 -2.15 113.70 118.80 1xuf s SER 32 Ca 0.12 0.00 -0.06 0.00 0.70 0.00 0.00 55.95 56.72 1xuf s SER 32 Cb -0.08 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1xuf s SER 32 CO 0.06 0.24 0.05 -0.76 1.20 0.00 0.00 173.24 174.03 1xuf s LEU 33 N -0.04 3.79 -0.06 3.45 1.43 -0.03 -0.53 118.68 126.69 1xuf s LEU 33 Ca 0.03 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1xuf s LEU 33 Cb -0.13 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1xuf s LEU 33 CO 0.02 0.25 -0.15 0.21 0.23 0.00 0.00 176.35 176.91 1xuf s ASN 34 N -0.10 2.01 -0.39 2.29 3.84 -0.31 -1.42 114.94 120.86 1xuf s ASN 34 Ca 0.06 -0.34 0.11 0.00 0.21 0.00 0.00 52.86 52.91 1xuf s ASN 34 Cb -0.12 -0.75 0.43 0.00 -0.55 0.00 0.00 41.25 40.26 1xuf s ASN 34 CO 0.01 0.10 1.01 -1.54 -2.79 0.00 0.00 177.10 173.89 1xuf n SER 37 N 3.47 3.04 0.00 -4.21 3.41 -1.26 -0.99 113.62 117.07 1xuf n SER 37 Ca -0.20 -3.23 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 1xuf n SER 37 Cb 0.53 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1xuf n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xuf n GLY 38 N -0.24 2.21 3.49 5.00 0.00 -1.26 -5.01 105.19 109.37 1xuf n GLY 38 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 1xuf n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xuf s TYR 39 N -2.15 -0.62 0.17 1.61 -0.85 -1.26 -5.13 117.35 109.11 1xuf s TYR 39 Ca 0.00 0.88 -0.32 0.00 -0.52 0.00 0.00 57.07 57.11 1xuf s TYR 39 Cb 0.00 0.46 -0.11 0.00 0.38 0.00 0.00 41.96 42.69 1xuf s TYR 39 CO 0.00 -0.68 1.71 -1.58 -1.52 0.00 0.00 175.55 173.47 1xuf s HIS 40 N -1.99 2.75 0.00 -3.49 5.65 -1.26 -4.29 115.29 112.65 1xuf s HIS 40 Ca -0.07 0.33 0.00 0.00 0.25 0.00 0.00 55.06 55.57 1xuf s HIS 40 Cb -0.00 -4.09 0.00 0.00 -1.18 0.00 0.00 32.58 27.31 1xuf s HIS 40 CO 0.03 -4.20 0.00 1.97 -0.65 0.00 0.00 174.74 171.89 1xuf n PHE 41 N 4.45 0.00 -4.00 3.88 -1.74 -0.50 -4.96 117.46 114.59 1xuf n PHE 41 Ca 0.16 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.96 1xuf n PHE 41 Cb 0.37 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.31 1xuf n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1xuf n GLY 43 N -0.36 2.67 3.90 0.00 0.00 0.16 -0.85 105.19 110.70 1xuf n GLY 43 Ca -0.02 -2.24 -0.00 0.00 0.00 0.00 0.00 46.02 43.76 1xuf n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xuf s GLY 44 N -3.26 -0.06 -0.05 -0.02 0.00 -0.91 -3.69 107.32 99.32 1xuf s GLY 44 Ca 0.23 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.92 1xuf s GLY 44 CO 0.14 3.54 -0.08 -0.45 0.00 0.00 0.00 173.10 176.26 1xuf s SER 45 N -3.53 1.33 -0.24 1.64 0.15 -0.09 -1.34 113.70 111.62 1xuf s SER 45 Ca 0.24 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.39 1xuf s SER 45 Cb -0.01 -0.62 -0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1xuf s SER 45 CO 0.01 -0.02 1.21 -0.22 1.20 0.00 0.00 173.24 175.42 1xuf s LEU 46 N 0.83 4.05 -0.01 3.45 2.96 -0.67 -0.99 118.68 128.29 1xuf s LEU 46 Ca -0.12 1.41 0.15 0.00 -0.22 0.00 0.00 54.13 55.35 1xuf s LEU 46 Cb -0.15 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.80 1xuf s LEU 46 CO 0.01 -0.85 0.50 2.30 -1.32 0.00 0.00 176.35 176.99 1xuf n ILE 47 N 5.67 0.00 -3.83 6.68 -5.35 -0.78 -1.58 119.36 120.17 1xuf n ILE 47 Ca 0.14 -0.25 -0.06 0.00 -0.27 0.00 0.00 62.75 62.30 1xuf n ILE 47 Cb 0.46 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 1xuf n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1xuf s ASN 48 N -3.13 -0.12 0.09 7.28 2.20 -1.21 -4.58 114.94 115.48 1xuf s ASN 48 Ca -0.00 -0.76 0.14 0.00 -0.94 0.00 0.00 52.86 51.30 1xuf s ASN 48 Cb 0.11 0.70 0.60 0.00 -2.00 0.00 0.00 41.25 40.66 1xuf s ASN 48 CO 0.64 -1.34 1.42 -1.54 -2.94 0.00 0.00 177.10 173.34 1xuf n SER 49 N -0.87 0.21 -0.01 3.54 3.41 -1.26 -2.83 113.62 115.81 1xuf n SER 49 Ca -0.06 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1xuf n SER 49 Cb 0.60 -0.60 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1xuf n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xuf n GLN 50 N -1.75 4.09 -4.88 4.33 6.02 -1.26 -0.53 117.38 123.41 1xuf n GLN 50 Ca 0.02 -0.19 -0.26 0.00 -0.01 0.00 0.00 57.00 56.56 1xuf n GLN 50 Cb 0.12 -0.70 -0.16 0.00 1.02 0.00 0.00 30.24 30.52 1xuf n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1xuf s TRP 51 N -0.73 1.67 0.01 1.08 0.52 -1.13 -0.06 118.94 120.31 1xuf s TRP 51 Ca 0.01 -0.36 0.08 0.00 0.02 0.00 0.00 56.10 55.84 1xuf s TRP 51 Cb 0.01 -1.09 -0.03 0.00 -1.15 0.00 0.00 33.47 31.21 1xuf s TRP 51 CO 0.03 -0.07 -0.23 0.08 0.02 0.00 0.00 176.95 176.78 1xuf s VAL 52 N -0.30 2.38 -0.10 4.03 1.01 0.53 -1.87 120.40 126.08 1xuf s VAL 52 Ca 0.04 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 1xuf s VAL 52 Cb -0.08 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1xuf s VAL 52 CO 0.00 0.45 0.01 -0.69 0.00 0.00 0.00 175.10 174.87 1xuf s VAL 53 N -0.77 4.38 0.00 2.92 1.01 -0.16 -0.89 120.40 126.88 1xuf s VAL 53 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1xuf s VAL 53 Cb -0.10 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1xuf s VAL 53 CO 0.02 0.59 0.00 -0.24 0.00 0.00 0.00 175.10 175.47 1xuf n SER 54 N 2.28 0.00 -4.87 3.32 2.88 0.32 -0.92 113.62 116.63 1xuf n SER 54 Ca -0.19 -0.28 -0.36 0.00 -1.33 0.00 0.00 58.87 56.72 1xuf n SER 54 Cb 0.54 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.94 1xuf n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xuf s ALA 55 N -1.89 3.86 0.51 -1.46 0.00 -1.26 -0.92 121.76 120.59 1xuf s ALA 55 Ca 0.00 -0.68 0.24 0.00 0.00 0.00 0.00 51.96 51.52 1xuf s ALA 55 Cb 0.00 -1.91 1.47 0.00 0.00 0.00 0.00 23.12 22.68 1xuf s ALA 55 CO 0.00 0.65 2.14 0.00 0.00 0.00 0.00 175.76 178.55 1xuf h ALA 56 N 4.71 1.57 0.00 0.00 0.00 -1.75 -2.14 119.26 121.66 1xuf h ALA 56 Ca -0.53 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xuf h ALA 56 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xuf h ALA 56 CO 0.60 0.09 0.00 -2.39 0.00 0.00 0.00 179.25 177.55 1xuf n HIS 57 N -4.00 0.00 1.36 0.00 1.44 -1.26 -1.53 115.22 111.23 1xuf n HIS 57 Ca -0.03 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.82 1xuf n HIS 57 Cb 0.16 -0.29 0.41 0.00 0.12 0.00 0.00 29.99 30.39 1xuf n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xuf s TYR 59 N -2.00 2.75 0.22 0.00 5.04 -0.58 -5.01 117.35 117.77 1xuf s TYR 59 Ca 0.35 0.91 -0.18 0.00 -2.44 0.00 0.00 57.07 55.71 1xuf s TYR 59 Cb 0.21 -4.02 0.02 0.00 0.35 0.00 0.00 41.96 38.52 1xuf s TYR 59 CO 0.32 -3.32 0.57 -1.59 -1.34 0.00 0.00 175.55 170.20 1xuf s LYS 60 N -0.90 1.51 0.37 4.97 -2.85 -1.26 -5.15 119.74 116.42 1xuf s LYS 60 Ca 0.60 -0.93 -0.06 0.00 -1.00 0.00 0.00 55.97 54.58 1xuf s LYS 60 Cb -0.47 0.54 -0.05 0.00 -2.06 0.00 0.00 37.83 35.79 1xuf s LYS 60 CO 0.51 -0.65 0.66 -1.12 0.10 0.00 0.00 175.35 174.85 1xuf s SER 61 N -2.90 6.42 -0.22 0.03 0.01 -1.26 -4.58 113.70 111.20 1xuf s SER 61 Ca 0.11 0.86 -0.00 0.00 1.31 0.00 0.00 55.95 58.23 1xuf s SER 61 Cb -0.02 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1xuf s SER 61 CO 0.01 -0.34 0.19 0.61 0.41 0.00 0.00 173.24 174.11 1xuf n GLY 62 N -1.38 0.32 3.72 3.44 0.00 -1.26 -5.03 105.19 105.00 1xuf n GLY 62 Ca -0.00 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1xuf n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xuf s ILE 63 N -3.07 5.28 -0.15 -0.61 1.01 -1.26 -4.55 121.20 117.85 1xuf s ILE 63 Ca 0.01 0.65 -0.03 0.00 0.00 0.00 0.00 60.65 61.28 1xuf s ILE 63 Cb -0.00 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 1xuf s ILE 63 CO 0.13 0.37 -0.06 -1.58 0.00 0.00 0.00 174.94 173.80 1xuf s GLN 64 N 0.55 3.58 -0.22 2.79 0.74 -0.16 -2.01 119.66 124.93 1xuf s GLN 64 Ca 0.19 -0.57 -0.19 0.00 0.05 0.00 0.00 55.36 54.84 1xuf s GLN 64 Cb -0.13 -2.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.11 1xuf s GLN 64 CO 0.05 0.23 0.55 0.08 -0.55 0.00 0.00 175.29 175.65 1xuf s VAL 65 N 0.38 5.07 -0.28 1.34 1.01 -0.07 -1.17 120.40 126.68 1xuf s VAL 65 Ca -0.06 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 62.84 1xuf s VAL 65 Cb -0.15 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1xuf s VAL 65 CO 0.04 0.13 0.08 -0.13 0.00 0.00 0.00 175.10 175.22 1xuf s ARG 65 N 1.94 3.27 0.23 2.72 0.52 0.30 -1.35 118.95 126.58 1xuf s ARG 65 Ca 0.24 -0.74 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 1xuf s ARG 65 Cb -0.16 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1xuf s ARG 65 CO 0.09 -0.37 0.22 -0.51 0.02 0.00 0.00 175.30 174.76 1xuf s LEU 66 N 1.54 3.94 -0.87 2.53 1.43 -0.11 -1.32 118.68 125.82 1xuf s LEU 66 Ca 0.04 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1xuf s LEU 66 Cb -0.16 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1xuf s LEU 66 CO 0.03 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1xuf n GLY 69 N -1.01 0.99 3.85 -3.19 0.00 -1.26 -1.52 105.19 103.05 1xuf n GLY 69 Ca -0.08 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1xuf n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xuf s GLU 70 N -2.51 3.91 0.00 1.61 0.41 -1.26 -3.68 118.70 117.18 1xuf s GLU 70 Ca 0.00 0.74 0.00 0.00 -0.41 0.00 0.00 54.97 55.30 1xuf s GLU 70 Cb 0.00 -2.28 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 1xuf s GLU 70 CO 0.00 -0.11 0.00 -3.47 -0.49 0.00 0.00 175.26 171.19 1xuf n ASP 71 N -1.26 0.00 -4.60 -0.19 2.03 -1.26 -4.38 116.55 106.88 1xuf n ASP 71 Ca 0.05 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.93 1xuf n ASP 71 Cb 0.54 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.91 1xuf n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1xuf s ASN 72 N 1.00 6.17 0.00 1.67 3.84 -1.26 -3.74 114.94 122.62 1xuf s ASN 72 Ca 0.00 1.10 0.18 0.00 0.21 0.00 0.00 52.86 54.35 1xuf s ASN 72 Cb 0.00 -2.53 0.98 0.00 -0.55 0.00 0.00 41.25 39.14 1xuf s ASN 72 CO 0.00 -1.52 1.53 2.30 -2.79 0.00 0.00 177.10 176.62 1xuf n ILE 73 N 7.15 0.31 0.64 -5.21 -5.35 -0.28 -3.02 119.36 113.59 1xuf n ILE 73 Ca 0.19 0.08 0.07 0.00 -0.27 0.00 0.00 62.75 62.82 1xuf n ILE 73 Cb 0.47 -0.78 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 1xuf n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1xuf n ASN 74 N -1.19 1.57 -3.93 7.28 3.02 -1.26 -4.96 115.26 115.80 1xuf n ASN 74 Ca 0.10 -1.29 -0.26 0.00 -0.03 0.00 0.00 54.58 53.11 1xuf n ASN 74 Cb 0.12 0.43 -0.17 0.00 -0.61 0.00 0.00 39.78 39.54 1xuf n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xuf s VAL 75 N -1.70 1.01 -0.28 2.41 1.01 -1.17 -5.11 120.40 116.57 1xuf s VAL 75 Ca 0.12 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1xuf s VAL 75 Cb 0.12 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1xuf s VAL 75 CO 0.35 0.36 1.50 -0.69 0.00 0.00 0.00 175.10 176.62 1xuf s VAL 76 N 1.45 3.84 -0.70 2.92 1.01 -1.26 -4.67 120.40 122.99 1xuf s VAL 76 Ca 0.00 0.93 0.10 0.00 0.00 0.00 0.00 61.98 63.01 1xuf s VAL 76 Cb -0.13 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1xuf s VAL 76 CO -0.05 -0.43 0.53 -0.62 0.00 0.00 0.00 175.10 174.53 1xuf n GLU 77 N 7.68 2.91 0.00 2.72 1.02 -1.26 -5.00 120.64 128.72 1xuf n GLU 77 Ca 0.18 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1xuf n GLU 77 Cb 0.46 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1xuf n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xuf n GLY 78 N 1.05 1.23 0.00 0.62 0.00 -1.26 -4.99 105.19 101.84 1xuf n GLY 78 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1xuf n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xuf n ASN 79 N 0.00 1.33 -4.78 1.61 3.02 -1.26 -5.05 115.26 110.13 1xuf n ASN 79 Ca 0.00 -1.35 -0.35 0.00 -0.03 0.00 0.00 54.58 52.85 1xuf n ASN 79 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1xuf n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xuf s GLU 80 N -0.35 3.62 -0.13 3.52 8.01 -1.24 -4.25 118.70 127.88 1xuf s GLU 80 Ca 0.00 1.56 -0.01 0.00 0.01 0.00 0.00 54.97 56.53 1xuf s GLU 80 Cb 0.00 -2.15 0.04 0.00 -4.31 0.00 0.00 34.13 27.71 1xuf s GLU 80 CO 0.00 -0.62 -0.01 -0.65 0.01 0.00 0.00 175.26 173.99 1xuf s GLN 81 N -3.10 0.93 -0.24 1.61 -0.21 -0.58 -4.95 119.66 113.13 1xuf s GLN 81 Ca 0.68 -0.21 -0.06 0.00 0.02 0.00 0.00 55.36 55.80 1xuf s GLN 81 Cb -0.22 -1.57 -0.02 0.00 1.00 0.00 0.00 33.01 32.20 1xuf s GLN 81 CO 0.26 -0.41 0.01 -0.06 -2.12 0.00 0.00 175.29 172.98 1xuf s PHE 82 N 1.83 3.03 -0.07 0.91 0.08 -1.26 -0.93 117.98 121.57 1xuf s PHE 82 Ca 0.03 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.35 1xuf s PHE 82 Cb -0.14 -2.17 0.02 0.00 -0.57 0.00 0.00 43.02 40.16 1xuf s PHE 82 CO -0.07 -0.47 -0.06 0.42 -0.10 0.00 0.00 175.22 174.94 1xuf s ILE 83 N 1.54 0.76 0.62 0.64 1.01 -0.46 -4.96 121.20 120.35 1xuf s ILE 83 Ca 0.06 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 1xuf s ILE 83 Cb -0.15 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 1xuf s ILE 83 CO 0.00 0.29 1.06 -0.55 0.00 0.00 0.00 174.94 175.74 1xuf s SER 84 N 1.23 5.70 0.20 3.58 0.15 -1.26 -0.90 113.70 122.40 1xuf s SER 84 Ca -0.05 1.77 -0.11 0.00 0.70 0.00 0.00 55.95 58.26 1xuf s SER 84 Cb -0.14 -2.52 -0.07 0.00 -1.71 0.00 0.00 66.02 61.58 1xuf s SER 84 CO -0.02 -1.22 0.54 0.00 1.20 0.00 0.00 173.24 173.74 1xuf s ALA 85 N -2.58 3.58 -0.08 5.45 0.00 -0.85 -1.01 121.76 126.26 1xuf s ALA 85 Ca 0.62 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 1xuf s ALA 85 Cb -0.15 -2.46 -0.28 0.00 0.00 0.00 0.00 23.12 20.22 1xuf s ALA 85 CO 0.41 0.49 0.59 0.66 0.00 0.00 0.00 175.76 177.91 1xuf h SER 86 N 2.92 0.47 -5.01 0.00 4.64 -0.91 -3.44 113.55 112.23 1xuf h SER 86 Ca -0.48 -0.89 -0.04 0.00 -0.47 0.00 0.00 61.79 59.91 1xuf h SER 86 Cb 1.18 -0.15 -0.15 0.00 -0.31 0.00 0.00 62.40 62.96 1xuf h SER 86 CO 0.68 1.69 0.15 -1.59 -0.87 0.00 0.00 176.83 176.89 1xuf s LYS 87 N -2.52 1.14 -0.07 4.77 -2.85 -1.23 -5.03 119.74 113.96 1xuf s LYS 87 Ca -0.19 -0.18 0.04 0.00 -1.00 0.00 0.00 55.97 54.65 1xuf s LYS 87 Cb 0.05 0.53 -0.00 0.00 -2.06 0.00 0.00 37.83 36.35 1xuf s LYS 87 CO 0.80 -0.44 -0.20 -1.12 0.10 0.00 0.00 175.35 174.49 1xuf s SER 88 N -2.05 2.56 -0.17 0.03 0.01 -1.26 -0.60 113.70 112.22 1xuf s SER 88 Ca -0.04 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.78 1xuf s SER 88 Cb -0.01 -0.95 0.03 0.00 0.21 0.00 0.00 66.02 65.31 1xuf s SER 88 CO -0.03 0.15 -0.12 -0.63 0.41 0.00 0.00 173.24 173.03 1xuf s ILE 89 N 0.22 1.58 0.22 1.44 1.01 0.76 -4.98 121.20 121.45 1xuf s ILE 89 Ca -0.11 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.51 1xuf s ILE 89 Cb -0.15 -1.58 -0.08 0.00 0.01 0.00 0.00 42.46 40.66 1xuf s ILE 89 CO 0.05 0.30 0.77 -0.69 0.00 0.00 0.00 174.94 175.37 1xuf s VAL 90 N 1.45 4.46 0.21 2.92 1.01 -1.26 -0.99 120.40 128.20 1xuf s VAL 90 Ca 0.02 1.48 -0.31 0.00 0.00 0.00 0.00 61.98 63.17 1xuf s VAL 90 Cb -0.15 -3.96 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 1xuf s VAL 90 CO -0.09 0.29 1.07 1.57 0.00 0.00 0.00 175.10 177.94 1xuf n HIS 91 N 0.96 1.17 0.14 5.22 -0.00 -1.03 -4.87 115.22 116.81 1xuf n HIS 91 Ca -0.03 0.71 0.10 0.00 0.46 0.00 0.00 57.72 58.96 1xuf n HIS 91 Cb 0.50 -2.25 0.60 0.00 -0.12 0.00 0.00 29.99 28.72 1xuf n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1xuf h PRO 92 N 2.75 0.13 -0.45 1.57 0.13 -1.94 -2.49 132.00 131.70 1xuf h PRO 92 Ca -0.41 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1xuf h PRO 92 Cb 1.35 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1xuf h PRO 92 CO 0.66 0.08 0.03 0.43 -0.23 0.00 0.00 178.00 178.97 1xuf n SER 93 N -4.50 4.73 -4.70 1.44 7.64 -1.26 -5.01 113.62 111.96 1xuf n SER 93 Ca 0.01 -3.04 -0.44 0.00 1.01 0.00 0.00 58.87 56.41 1xuf n SER 93 Cb 0.19 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 62.73 1xuf n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xuf n TYR 94 N -0.03 2.46 -4.04 1.43 9.36 -0.94 -4.65 117.16 120.75 1xuf n TYR 94 Ca 0.27 0.30 -0.31 0.00 3.32 0.00 0.00 57.90 61.48 1xuf n TYR 94 Cb 1.09 -2.54 -0.16 0.00 -0.63 0.00 0.00 39.34 37.09 1xuf n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1xuf s ASN 95 N 0.58 2.95 0.27 2.98 3.84 -0.78 -5.01 114.94 119.78 1xuf s ASN 95 Ca 0.70 -0.62 0.25 0.00 0.21 0.00 0.00 52.86 53.41 1xuf s ASN 95 Cb -0.59 -1.26 0.73 0.00 -0.55 0.00 0.00 41.25 39.57 1xuf s ASN 95 CO 0.45 -0.06 1.74 0.77 -2.79 0.00 0.00 177.10 177.20 1xuf h SER 96 N 8.01 0.00 0.12 -4.21 4.64 -1.95 0.11 113.55 120.27 1xuf h SER 96 Ca -0.38 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.74 1xuf h SER 96 Cb 1.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1xuf h SER 96 CO 0.54 0.00 -0.99 0.78 -0.87 0.00 0.00 176.83 176.29 1xuf h ASN 97 N 0.00 0.39 0.76 4.97 2.35 -1.97 -3.38 115.58 118.70 1xuf h ASN 97 Ca 0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 56.30 54.85 1xuf h ASN 97 Cb 0.77 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1xuf h ASN 97 CO 0.00 1.45 -1.03 0.35 -1.65 0.00 0.00 177.43 176.55 1xuf n THR 98 N -4.10 0.42 -1.53 2.81 -2.24 -1.22 -4.94 114.28 103.47 1xuf n THR 98 Ca -0.18 -0.43 -0.09 0.00 -2.27 0.00 0.00 64.05 61.09 1xuf n THR 98 Cb 0.82 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 1xuf n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xuf n LEU 99 N -2.37 -0.87 -4.77 3.22 4.77 0.37 -4.99 117.00 112.36 1xuf n LEU 99 Ca 0.01 0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.75 1xuf n LEU 99 Cb 0.51 -1.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.06 1xuf n LEU 99 CO 0.40 -0.34 0.71 0.21 -1.33 0.00 0.00 177.39 177.04 1xuf s ASN 100 N -2.82 7.20 -1.14 -1.43 2.47 -1.21 -3.34 114.94 114.69 1xuf s ASN 100 Ca 0.00 2.03 -0.06 0.00 0.42 0.00 0.00 52.86 55.25 1xuf s ASN 100 Cb 0.00 -2.60 0.01 0.00 -1.45 0.00 0.00 41.25 37.21 1xuf s ASN 100 CO 0.00 -0.17 0.79 0.59 -3.72 0.00 0.00 177.10 174.58 1xuf n ASN 101 N 0.70 -5.41 -4.14 -4.21 3.02 -1.26 -1.86 115.26 102.10 1xuf n ASN 101 Ca 0.01 -0.36 -0.38 0.00 -0.03 0.00 0.00 54.58 53.82 1xuf n ASN 101 Cb 0.48 -4.10 -0.04 0.00 -0.61 0.00 0.00 39.78 35.52 1xuf n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1xuf n ASP 102 N -1.94 3.43 -3.71 6.41 2.03 -1.21 -4.38 116.55 117.19 1xuf n ASP 102 Ca -0.03 -2.76 -0.11 0.00 0.52 0.00 0.00 54.79 52.41 1xuf n ASP 102 Cb 0.57 -1.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.33 1xuf n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xuf s ILE 103 N 6.40 -0.02 0.01 5.18 2.07 -1.26 -3.85 121.20 129.73 1xuf s ILE 103 Ca 0.58 0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.89 1xuf s ILE 103 Cb 0.08 -0.61 -0.01 0.00 0.13 0.00 0.00 42.46 42.04 1xuf s ILE 103 CO 0.08 0.02 -0.05 -0.32 -1.91 0.00 0.00 174.94 172.76 1xuf s MET 104 N 0.95 0.41 -0.01 3.50 -2.45 -0.09 -2.48 119.30 119.14 1xuf s MET 104 Ca -0.06 -0.33 -0.02 0.00 -1.25 0.00 0.00 55.69 54.03 1xuf s MET 104 Cb -0.06 -0.33 -0.04 0.00 1.25 0.00 0.00 34.83 35.65 1xuf s MET 104 CO -0.08 0.08 0.13 -0.51 1.05 0.00 0.00 175.02 175.70 1xuf s LEU 105 N -0.53 4.14 -0.15 4.11 1.43 -0.17 -0.52 118.68 127.00 1xuf s LEU 105 Ca -0.02 0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1xuf s LEU 105 Cb -0.04 -2.43 0.04 0.00 0.03 0.00 0.00 46.19 43.79 1xuf s LEU 105 CO -0.00 0.27 -0.02 -0.63 0.23 0.00 0.00 176.35 176.20 1xuf s ILE 106 N -1.25 0.79 -0.07 -0.59 1.01 -0.07 -0.17 121.20 120.84 1xuf s ILE 106 Ca 0.25 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.30 1xuf s ILE 106 Cb -0.12 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1xuf s ILE 106 CO 0.16 0.10 0.55 -0.75 0.00 0.00 0.00 174.94 175.00 1xuf s LYS 107 N 1.77 4.33 0.39 2.79 2.20 0.24 -0.35 119.74 131.11 1xuf s LYS 107 Ca 0.02 0.60 -0.23 0.00 -0.36 0.00 0.00 55.97 56.00 1xuf s LYS 107 Cb -0.15 -3.40 -0.11 0.00 -1.51 0.00 0.00 37.83 32.66 1xuf s LYS 107 CO -0.07 0.22 0.95 -0.51 -0.36 0.00 0.00 175.35 175.57 1xuf s LEU 108 N 0.37 4.10 0.30 5.43 1.43 0.91 -0.32 118.68 130.91 1xuf s LEU 108 Ca 0.29 1.74 0.05 0.00 -1.03 0.00 0.00 54.13 55.19 1xuf s LEU 108 Cb -0.16 -4.32 0.49 0.00 0.03 0.00 0.00 46.19 42.22 1xuf s LEU 108 CO 0.14 -0.24 1.75 0.11 0.23 0.00 0.00 176.35 178.33 1xuf h LYS 109 N 2.42 0.34 -5.58 1.70 1.57 -1.36 -3.41 116.57 112.25 1xuf h LYS 109 Ca -0.48 -0.13 -0.45 0.00 -1.87 0.00 0.00 60.65 57.72 1xuf h LYS 109 Cb 1.18 -0.02 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 1xuf h LYS 109 CO 0.63 0.61 -0.75 -1.54 -0.57 0.00 0.00 179.45 177.82 1xuf s SER 110 N -6.85 2.34 0.41 0.86 1.04 -1.26 -5.02 113.70 105.22 1xuf s SER 110 Ca -0.06 -0.90 -0.25 0.00 0.48 0.00 0.00 55.95 55.22 1xuf s SER 110 Cb 0.14 -0.11 -0.08 0.00 0.10 0.00 0.00 66.02 66.07 1xuf s SER 110 CO 0.77 -0.14 1.19 0.00 0.98 0.00 0.00 173.24 176.04 1xuf s ALA 111 N -2.45 3.13 0.69 5.32 0.00 -1.26 -4.82 121.76 122.37 1xuf s ALA 111 Ca 0.15 1.00 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 1xuf s ALA 111 Cb -0.03 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1xuf s ALA 111 CO 0.05 -0.59 1.06 0.00 0.00 0.00 0.00 175.76 176.28 1xuf s ALA 112 N -1.42 2.74 -0.27 0.00 0.00 0.31 -5.01 121.76 118.13 1xuf s ALA 112 Ca 0.58 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.39 1xuf s ALA 112 Cb -0.31 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1xuf s ALA 112 CO 0.39 -1.15 0.17 0.45 0.00 0.00 0.00 175.76 175.62 1xuf s SER 113 N -3.96 5.93 -0.14 0.00 0.15 -1.26 -4.91 113.70 109.50 1xuf s SER 113 Ca 0.58 -0.01 -0.09 0.00 0.70 0.00 0.00 55.95 57.12 1xuf s SER 113 Cb -0.13 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 62.04 1xuf s SER 113 CO 0.54 -0.03 0.17 -0.76 1.20 0.00 0.00 173.24 174.37 1xuf s LEU 114 N 1.60 4.32 0.00 3.45 1.43 -1.26 -4.82 118.68 123.40 1xuf s LEU 114 Ca 0.07 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1xuf s LEU 114 Cb -0.15 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1xuf s LEU 114 CO 0.09 0.29 0.00 -0.46 0.23 0.00 0.00 176.35 176.50 1xuf n ASN 115 N 2.66 0.00 0.09 2.29 0.23 -0.09 -5.02 115.26 115.42 1xuf n ASN 115 Ca -0.17 -0.22 -0.08 0.00 -0.53 0.00 0.00 54.58 53.57 1xuf n ASN 115 Cb 0.53 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.20 1xuf n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1xuf h SER 116 N 0.00 0.20 1.70 0.53 0.02 -1.99 -3.25 113.55 110.76 1xuf h SER 116 Ca 0.00 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1xuf h SER 116 Cb 0.00 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1xuf h SER 116 CO 0.00 1.01 -0.16 0.03 -1.14 0.00 0.00 176.83 176.57 1xuf h ARG 117 N 0.07 0.00 -4.06 3.45 3.08 -1.93 -3.43 114.38 111.56 1xuf h ARG 117 Ca -0.04 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.48 1xuf h ARG 117 Cb 1.58 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 31.25 1xuf h ARG 117 CO 0.14 0.16 -0.79 0.08 -1.07 0.00 0.00 179.97 178.49 1xuf s VAL 118 N -3.21 0.92 0.12 2.04 1.01 -1.22 -4.46 120.40 115.61 1xuf s VAL 118 Ca 0.05 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1xuf s VAL 118 Cb 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1xuf s VAL 118 CO 0.68 0.20 0.26 0.00 0.00 0.00 0.00 175.10 176.24 1xuf s ALA 119 N 1.73 -0.24 0.53 5.51 0.00 -0.51 -0.91 121.76 127.87 1xuf s ALA 119 Ca 0.03 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xuf s ALA 119 Cb -0.14 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.65 1xuf s ALA 119 CO -0.08 -0.59 0.79 -1.54 0.00 0.00 0.00 175.76 174.35 1xuf s SER 120 N -2.90 5.60 -0.00 0.00 1.04 -1.26 -3.38 113.70 112.81 1xuf s SER 120 Ca 0.09 0.40 0.05 0.00 0.48 0.00 0.00 55.95 56.98 1xuf s SER 120 Cb 0.04 -1.47 -0.03 0.00 0.10 0.00 0.00 66.02 64.66 1xuf s SER 120 CO -0.07 -0.95 -0.14 -0.51 0.98 0.00 0.00 173.24 172.55 1xuf s ILE 121 N -2.78 3.08 0.49 -1.02 1.10 -0.61 -4.86 121.20 116.59 1xuf s ILE 121 Ca 0.52 -0.92 -0.22 0.00 -0.51 0.00 0.00 60.65 59.53 1xuf s ILE 121 Cb -0.10 -2.27 -0.07 0.00 0.15 0.00 0.00 42.46 40.16 1xuf s ILE 121 CO 0.41 0.45 1.15 -0.44 -2.11 0.00 0.00 174.94 174.39 1xuf s SER 122 N -1.17 6.05 0.31 4.50 0.01 -1.26 -4.62 113.70 117.52 1xuf s SER 122 Ca 0.14 2.25 -0.19 0.00 1.31 0.00 0.00 55.95 59.46 1xuf s SER 122 Cb -0.11 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.44 1xuf s SER 122 CO 0.04 -1.00 0.79 -0.76 0.41 0.00 0.00 173.24 172.72 1xuf s LEU 123 N -3.27 4.16 0.31 2.44 1.43 -1.26 -0.36 118.68 122.12 1xuf s LEU 123 Ca 0.66 1.45 -0.29 0.00 -1.03 0.00 0.00 54.13 54.93 1xuf s LEU 123 Cb -0.27 -4.00 -0.10 0.00 0.03 0.00 0.00 46.19 41.86 1xuf s LEU 123 CO 0.32 -0.14 1.14 -2.16 0.23 0.00 0.00 176.35 175.73 1xuf s PRO 124 N -2.61 4.51 -0.05 1.29 0.04 -1.26 -4.82 135.00 132.11 1xuf s PRO 124 Ca 0.52 1.87 0.02 0.00 0.04 0.00 0.00 61.00 63.45 1xuf s PRO 124 Cb -0.13 -3.09 -0.25 0.00 0.04 0.00 0.00 34.50 31.07 1xuf s PRO 124 CO 0.18 0.07 0.63 1.79 0.04 0.00 0.00 177.00 179.72 1xuf h THR 125 N 2.97 0.87 -3.97 1.26 1.35 -1.96 -3.47 112.91 109.96 1xuf h THR 125 Ca -0.47 -2.62 -0.43 0.00 -0.55 0.00 0.00 66.41 62.33 1xuf h THR 125 Cb 1.22 2.54 -0.22 0.00 -1.73 0.00 0.00 68.15 69.95 1xuf h THR 125 CO 0.66 0.71 -0.79 -0.44 -0.25 0.00 0.00 175.52 175.42 1xuf s SER 127 N -6.63 1.74 0.52 5.36 0.01 -1.26 -5.11 113.70 108.33 1xuf s SER 127 Ca -0.11 -0.57 -0.21 0.00 1.31 0.00 0.00 55.95 56.36 1xuf s SER 127 Cb 0.07 -0.07 -0.06 0.00 0.21 0.00 0.00 66.02 66.17 1xuf s SER 127 CO 0.81 -0.03 1.21 0.00 0.41 0.00 0.00 173.24 175.64 1xuf s ALA 129 N -1.54 3.42 0.41 0.00 0.00 -1.26 -5.07 121.76 117.73 1xuf s ALA 129 Ca 0.70 0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.73 1xuf s ALA 129 Cb -0.31 -2.95 -0.11 0.00 0.00 0.00 0.00 23.12 19.76 1xuf s ALA 129 CO 0.36 0.19 0.96 -1.54 0.00 0.00 0.00 175.76 175.73 1xuf s SER 130 N -0.61 6.98 0.42 0.00 1.04 -1.26 -5.02 113.70 115.24 1xuf s SER 130 Ca 0.36 1.74 -0.24 0.00 0.48 0.00 0.00 55.95 58.29 1xuf s SER 130 Cb -0.22 -2.55 -0.11 0.00 0.10 0.00 0.00 66.02 63.25 1xuf s SER 130 CO 0.24 -0.33 0.95 0.00 0.98 0.00 0.00 173.24 175.08 1xuf n ALA 132 N -0.43 -0.05 0.00 5.32 0.00 -1.26 -1.96 120.51 122.13 1xuf n ALA 132 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1xuf n ALA 132 Cb 0.53 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1xuf n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xuf n GLY 133 N 1.26 2.75 3.75 0.00 0.00 0.18 -4.97 105.19 108.16 1xuf n GLY 133 Ca 0.10 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1xuf n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xuf s THR 134 N -2.43 2.36 -0.07 2.61 2.01 -0.83 -4.68 115.64 114.60 1xuf s THR 134 Ca 0.00 0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.17 1xuf s THR 134 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 1xuf s THR 134 CO 0.00 0.05 0.34 -1.58 -0.69 0.00 0.00 174.62 172.74 1xuf s GLN 135 N -0.44 3.97 0.23 4.92 0.74 -1.26 -1.41 119.66 126.40 1xuf s GLN 135 Ca 0.61 0.24 0.06 0.00 0.05 0.00 0.00 55.36 56.32 1xuf s GLN 135 Cb -0.45 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.32 1xuf s GLN 135 CO 0.46 0.54 -0.07 0.00 -0.55 0.00 0.00 175.29 175.66 1xuf s LEU 137 N -3.35 3.25 0.01 0.00 2.96 0.09 -1.30 118.68 120.34 1xuf s LEU 137 Ca 0.26 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 54.06 1xuf s LEU 137 Cb 0.03 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1xuf s LEU 137 CO 0.09 0.09 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.36 1xuf s ILE 138 N 0.83 2.48 0.04 6.68 1.01 0.69 -1.71 121.20 131.22 1xuf s ILE 138 Ca 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 60.65 59.38 1xuf s ILE 138 Cb -0.14 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.38 1xuf s ILE 138 CO 0.02 0.45 0.29 -0.94 0.00 0.00 0.00 174.94 174.76 1xuf s SER 139 N -1.06 -0.11 0.00 3.58 1.04 -1.22 -0.69 113.70 115.23 1xuf s SER 139 Ca 0.12 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1xuf s SER 139 Cb -0.10 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1xuf s SER 139 CO 0.02 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1xuf n GLY 140 N 0.69 -1.71 0.74 7.32 0.00 -0.80 -4.47 105.19 106.96 1xuf n GLY 140 Ca -0.19 -1.10 0.03 0.00 0.00 0.00 0.00 46.02 44.76 1xuf n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xuf n TRP 141 N 0.44 0.53 -1.44 1.61 8.01 -1.26 -2.42 117.44 122.90 1xuf n TRP 141 Ca 0.00 -1.35 -0.27 0.00 -1.31 0.00 0.00 57.50 54.57 1xuf n TRP 141 Cb 0.00 -0.33 0.21 0.00 -2.01 0.00 0.00 31.31 29.18 1xuf n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xuf n GLY 142 N -1.10 -2.10 3.72 6.99 0.00 -1.24 -4.52 105.19 106.95 1xuf n GLY 142 Ca 0.24 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1xuf n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xuf n ASN 143 N -4.25 2.84 -0.57 1.61 5.15 -0.01 -2.75 115.26 117.29 1xuf n ASN 143 Ca 0.15 1.13 0.08 0.00 -0.60 0.00 0.00 54.58 55.34 1xuf n ASN 143 Cb 0.54 -1.53 0.05 0.00 -0.53 0.00 0.00 39.78 38.31 1xuf n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1xuf n THR 144 N -0.09 0.00 -4.26 -0.44 -2.24 0.37 -0.59 114.28 107.03 1xuf n THR 144 Ca 0.06 -0.46 -0.32 0.00 -2.27 0.00 0.00 64.05 61.05 1xuf n THR 144 Cb 0.39 1.29 -0.09 0.00 -2.10 0.00 0.00 70.33 69.83 1xuf n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xuf s LYS 145 N -1.44 2.70 0.04 -0.78 1.02 -1.26 -4.45 119.74 115.57 1xuf s LYS 145 Ca 0.17 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.44 1xuf s LYS 145 Cb 0.13 -2.62 -0.28 0.00 -0.52 0.00 0.00 37.83 34.54 1xuf s LYS 145 CO 0.24 0.60 0.99 1.03 -0.92 0.00 0.00 175.35 177.29 1xuf h SER 146 N 4.13 0.43 -4.51 2.83 0.87 -1.95 -3.45 113.55 111.90 1xuf h SER 146 Ca -0.48 -0.52 -0.66 0.00 -1.23 0.00 0.00 61.79 58.89 1xuf h SER 146 Cb 1.17 -0.14 -0.30 0.00 -0.44 0.00 0.00 62.40 62.69 1xuf h SER 146 CO 0.58 1.42 -0.88 -0.44 -0.53 0.00 0.00 176.83 176.98 1xuf s SER 147 N -7.08 2.80 0.00 6.23 0.01 -1.26 -4.61 113.70 109.79 1xuf s SER 147 Ca -0.07 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1xuf s SER 147 Cb 0.07 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1xuf s SER 147 CO 0.87 0.29 0.00 0.61 0.41 0.00 0.00 173.24 175.42 1xuf n GLY 148 N 2.51 -2.32 2.96 3.44 0.00 -1.26 -4.99 105.19 105.53 1xuf n GLY 148 Ca -0.16 -1.55 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 1xuf n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xuf s THR 149 N -0.70 0.63 -0.30 2.61 -4.23 -1.26 -4.56 115.64 107.82 1xuf s THR 149 Ca 0.00 -0.25 -0.09 0.00 -1.18 0.00 0.00 61.69 60.17 1xuf s THR 149 Cb 0.00 -0.59 0.16 0.00 1.34 0.00 0.00 72.50 73.41 1xuf s THR 149 CO 0.00 0.21 0.77 -0.55 -0.54 0.00 0.00 174.62 174.51 1xuf s SER 150 N 0.38 -0.99 -0.20 3.99 0.15 -1.26 -4.94 113.70 110.82 1xuf s SER 150 Ca -0.05 1.04 -0.05 0.00 0.70 0.00 0.00 55.95 57.59 1xuf s SER 150 Cb -0.09 2.00 -0.03 0.00 -1.71 0.00 0.00 66.02 66.19 1xuf s SER 150 CO 0.00 -0.19 0.01 -0.31 1.20 0.00 0.00 173.24 173.96 1xuf s TYR 151 N 2.79 3.07 0.63 3.44 1.51 -1.26 -0.48 117.35 127.04 1xuf s TYR 151 Ca 0.03 -0.37 -0.13 0.00 -1.01 0.00 0.00 57.07 55.59 1xuf s TYR 151 Cb -0.11 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1xuf s TYR 151 CO -0.18 -0.19 1.04 -1.25 -1.11 0.00 0.00 175.55 173.86 1xuf s PRO 152 N 0.93 3.33 -0.05 -1.71 0.04 -1.26 -5.01 135.00 131.28 1xuf s PRO 152 Ca 0.02 0.95 0.07 0.00 0.04 0.00 0.00 61.00 62.07 1xuf s PRO 152 Cb -0.14 -2.04 -0.24 0.00 0.04 0.00 0.00 34.50 32.11 1xuf s PRO 152 CO 0.02 -0.78 0.65 -0.44 0.04 0.00 0.00 177.00 176.49 1xuf h ASP 153 N -0.16 0.13 -2.69 6.66 3.32 -1.95 -3.48 116.42 118.25 1xuf h ASP 153 Ca -0.45 -0.26 -0.57 0.00 0.02 0.00 0.00 57.03 55.77 1xuf h ASP 153 Cb 1.20 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1xuf h ASP 153 CO 0.59 1.23 -0.48 0.68 -1.72 0.00 0.00 179.24 179.54 1xuf s VAL 154 N -2.60 5.32 0.22 -1.35 -7.23 -1.26 -1.13 120.40 112.38 1xuf s VAL 154 Ca -0.09 -0.59 -0.31 0.00 -1.81 0.00 0.00 61.98 59.18 1xuf s VAL 154 Cb 0.08 -3.69 -0.11 0.00 0.56 0.00 0.00 36.38 33.22 1xuf s VAL 154 CO 0.82 -0.01 1.57 -0.22 -0.31 0.00 0.00 175.10 176.94 1xuf s LEU 155 N -2.98 4.37 0.10 1.32 2.96 -1.25 -4.89 118.68 118.32 1xuf s LEU 155 Ca 0.35 2.75 0.02 0.00 -0.22 0.00 0.00 54.13 57.03 1xuf s LEU 155 Cb -0.12 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1xuf s LEU 155 CO 0.28 -0.84 0.17 -0.54 -1.32 0.00 0.00 176.35 174.10 1xuf s LYS 156 N 0.38 3.16 0.03 1.98 -0.14 -1.02 -1.42 119.74 122.72 1xuf s LYS 156 Ca 0.66 -0.63 0.05 0.00 -1.36 0.00 0.00 55.97 54.69 1xuf s LYS 156 Cb -0.45 -2.85 -0.02 0.00 -1.68 0.00 0.00 37.83 32.83 1xuf s LYS 156 CO 0.38 0.55 -0.14 0.00 -0.76 0.00 0.00 175.35 175.39 1xuf s LEU 158 N -1.03 0.99 -0.03 0.00 2.96 0.13 -1.03 118.68 120.67 1xuf s LEU 158 Ca 0.02 -0.04 -0.18 0.00 -0.22 0.00 0.00 54.13 53.71 1xuf s LEU 158 Cb -0.07 -0.29 -0.05 0.00 0.50 0.00 0.00 46.19 46.27 1xuf s LEU 158 CO 0.01 -0.12 0.49 -0.54 -1.32 0.00 0.00 176.35 174.86 1xuf s LYS 159 N 1.29 4.18 -0.19 1.98 1.02 -1.26 -0.22 119.74 126.53 1xuf s LYS 159 Ca -0.06 0.53 -0.19 0.00 0.02 0.00 0.00 55.97 56.26 1xuf s LYS 159 Cb -0.13 -3.32 0.05 0.00 -0.52 0.00 0.00 37.83 33.91 1xuf s LYS 159 CO -0.02 0.45 0.55 0.00 -0.92 0.00 0.00 175.35 175.40 1xuf s ALA 160 N -0.36 -1.36 0.37 5.17 0.00 -0.42 -4.95 121.76 120.22 1xuf s ALA 160 Ca 0.26 1.50 -0.18 0.00 0.00 0.00 0.00 51.96 53.54 1xuf s ALA 160 Cb -0.17 -0.83 -0.10 0.00 0.00 0.00 0.00 23.12 22.02 1xuf s ALA 160 CO 0.14 -0.26 0.84 -1.25 0.00 0.00 0.00 175.76 175.22 1xuf s PRO 161 N 0.17 4.14 0.07 0.00 0.04 -1.26 -0.57 135.00 137.58 1xuf s PRO 161 Ca -0.01 0.91 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 1xuf s PRO 161 Cb -0.04 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1xuf s PRO 161 CO 0.01 0.09 1.04 0.42 0.04 0.00 0.00 177.00 178.59 1xuf s ILE 162 N -2.04 4.46 0.58 0.56 1.01 -0.50 -1.65 121.20 123.62 1xuf s ILE 162 Ca 0.57 1.88 -0.07 0.00 0.00 0.00 0.00 60.65 63.03 1xuf s ILE 162 Cb -0.10 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 1xuf s ILE 162 CO 0.16 0.21 0.92 -0.76 0.00 0.00 0.00 174.94 175.47 1xuf s LEU 163 N 0.55 3.30 0.62 2.97 1.43 -0.75 -0.64 118.68 126.14 1xuf s LEU 163 Ca 0.52 0.96 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 1xuf s LEU 163 Cb -0.24 -3.86 -0.02 0.00 0.03 0.00 0.00 46.19 42.09 1xuf s LEU 163 CO 0.30 -0.93 1.08 -0.94 0.23 0.00 0.00 176.35 176.09 1xuf s SER 164 N -4.23 5.54 0.50 2.29 1.04 -1.26 -4.56 113.70 113.01 1xuf s SER 164 Ca 0.53 1.89 0.18 0.00 0.48 0.00 0.00 55.95 59.03 1xuf s SER 164 Cb -0.11 -2.54 1.23 0.00 0.10 0.00 0.00 66.02 64.70 1xuf s SER 164 CO 0.48 -1.34 2.05 -0.78 0.98 0.00 0.00 173.24 174.63 1xuf h ASP 165 N 0.31 0.12 0.90 7.02 3.58 -1.97 -1.30 116.42 125.08 1xuf h ASP 165 Ca -0.47 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 56.75 1xuf h ASP 165 Cb 1.23 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 1xuf h ASP 165 CO 0.56 0.07 -1.06 0.77 -2.88 0.00 0.00 179.24 176.70 1xuf h SER 166 N 0.13 0.12 -0.50 2.28 4.64 -1.98 0.18 113.55 118.42 1xuf h SER 166 Ca 0.16 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 1xuf h SER 166 Cb 0.47 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1xuf h SER 166 CO -0.02 1.10 -0.12 0.77 -0.87 0.00 0.00 176.83 177.68 1xuf h SER 167 N 0.02 0.97 0.67 4.97 4.64 -1.69 0.18 113.55 123.31 1xuf h SER 167 Ca -0.04 -0.36 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 1xuf h SER 167 Cb 1.82 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 63.65 1xuf h SER 167 CO 0.15 1.11 -0.32 0.00 -0.87 0.00 0.00 176.83 176.89 1xuf h LYS 169 N -1.07 0.75 0.00 0.00 1.57 -0.67 -0.54 116.57 116.61 1xuf h LYS 169 Ca -0.09 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1xuf h LYS 169 Cb 0.73 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1xuf h LYS 169 CO 0.15 0.50 -0.15 1.03 -0.57 0.00 0.00 179.45 180.41 1xuf h SER 170 N 0.77 0.00 1.05 0.86 0.87 -0.15 -2.68 113.55 114.28 1xuf h SER 170 Ca 0.37 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.75 1xuf h SER 170 Cb 0.40 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 1xuf h SER 170 CO -0.14 0.15 -1.00 0.00 -0.53 0.00 0.00 176.83 175.31 1xuf h ALA 171 N 1.85 0.59 -2.12 6.23 0.00 0.59 -3.38 119.26 123.02 1xuf h ALA 171 Ca -0.00 -0.80 -0.58 0.00 0.00 0.00 0.00 54.91 53.53 1xuf h ALA 171 Cb 0.68 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.11 1xuf h ALA 171 CO 0.02 0.99 -0.86 0.66 0.00 0.00 0.00 179.25 180.06 1xuf n TYR 172 N -3.17 1.51 -1.74 0.00 4.01 -0.80 -4.95 117.16 112.03 1xuf n TYR 172 Ca -0.03 -3.84 -0.42 0.00 -0.16 0.00 0.00 57.90 53.45 1xuf n TYR 172 Cb 0.86 -0.43 -0.02 0.00 -0.31 0.00 0.00 39.34 39.43 1xuf n TYR 172 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1xuf s PRO 173 N -1.74 4.12 0.00 -0.72 0.04 -1.02 -2.34 135.00 133.33 1xuf s PRO 173 Ca 0.37 2.61 0.00 0.00 0.04 0.00 0.00 61.00 64.02 1xuf s PRO 173 Cb 0.15 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1xuf s PRO 173 CO -0.07 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.66 1xuf n GLY 174 N 3.38 1.63 0.01 0.56 0.00 -1.26 -4.87 105.19 104.64 1xuf n GLY 174 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1xuf n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xuf n GLN 175 N -2.00 0.57 -3.27 1.61 6.02 -0.99 -4.97 117.38 114.34 1xuf n GLN 175 Ca 0.00 -0.15 -0.39 0.00 -0.01 0.00 0.00 57.00 56.45 1xuf n GLN 175 Cb 0.00 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 29.78 1xuf n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xuf s ILE 176 N -3.19 5.15 0.54 5.09 -1.09 -1.25 -5.03 121.20 121.42 1xuf s ILE 176 Ca -0.07 0.97 0.07 0.00 -2.23 0.00 0.00 60.65 59.40 1xuf s ILE 176 Cb 0.11 -3.83 0.05 0.00 -1.58 0.00 0.00 42.46 37.21 1xuf s ILE 176 CO 0.73 0.26 0.57 0.42 -1.23 0.00 0.00 174.94 175.69 1xuf s THR 177 N 1.09 1.98 -0.59 2.92 -4.23 -1.26 -4.99 115.64 110.56 1xuf s THR 177 Ca 0.25 -1.26 0.17 0.00 -1.18 0.00 0.00 61.69 59.67 1xuf s THR 177 Cb -0.15 -2.24 0.17 0.00 1.34 0.00 0.00 72.50 71.62 1xuf s THR 177 CO 0.10 0.00 1.51 -1.54 -0.54 0.00 0.00 174.62 174.15 1xuf n SER 178 N -1.95 0.38 -1.58 3.99 3.41 -1.26 -2.40 113.62 114.21 1xuf n SER 178 Ca 0.06 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.40 1xuf n SER 178 Cb 0.63 -0.70 0.35 0.00 -0.26 0.00 0.00 64.21 64.23 1xuf n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xuf n ASN 179 N -1.97 4.69 -4.11 4.04 3.02 -1.26 -4.93 115.26 114.74 1xuf n ASN 179 Ca 0.01 -2.48 -0.18 0.00 -0.03 0.00 0.00 54.58 51.90 1xuf n ASN 179 Cb 0.11 -0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 38.57 1xuf n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1xuf s MET 180 N -1.93 0.78 0.09 3.52 -1.94 -1.01 -0.07 119.30 118.74 1xuf s MET 180 Ca 0.49 -0.74 -0.03 0.00 -1.71 0.00 0.00 55.69 53.71 1xuf s MET 180 Cb 0.32 -0.73 -0.03 0.00 2.01 0.00 0.00 34.83 36.40 1xuf s MET 180 CO 0.23 0.17 0.05 -0.59 -0.01 0.00 0.00 175.02 174.87 1xuf s PHE 181 N -0.97 0.60 0.10 -0.03 -0.12 -0.13 -4.80 117.98 112.63 1xuf s PHE 181 Ca -0.01 -1.05 0.05 0.00 -0.05 0.00 0.00 56.93 55.86 1xuf s PHE 181 Cb -0.08 -0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 41.91 1xuf s PHE 181 CO 0.01 -0.48 0.04 0.00 -0.05 0.00 0.00 175.22 174.74 1xuf s ALA 183 N -1.41 -0.78 0.00 0.00 0.00 -0.70 -1.82 121.76 117.05 1xuf s ALA 183 Ca 0.27 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1xuf s ALA 183 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1xuf s ALA 183 CO 0.20 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1xuf n GLY 184 N 1.68 0.49 2.80 0.00 0.00 -0.66 -2.64 105.19 106.86 1xuf n GLY 184 Ca -0.19 -1.60 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 1xuf n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xuf s TYR 184 N -2.92 0.83 0.48 1.61 2.02 -1.26 -4.35 117.35 113.76 1xuf s TYR 184 Ca 0.00 -0.28 0.20 0.00 -0.37 0.00 0.00 57.07 56.62 1xuf s TYR 184 Cb 0.00 -0.88 1.27 0.00 -0.40 0.00 0.00 41.96 41.95 1xuf s TYR 184 CO 0.00 -0.36 2.08 -0.07 -1.57 0.00 0.00 175.55 175.63 1xuf h LEU 185 N 8.27 0.00 0.00 -1.29 3.38 -1.95 -1.68 115.31 122.04 1xuf h LEU 185 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1xuf h LEU 185 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1xuf h LEU 185 CO 0.29 0.11 0.00 -1.84 0.09 0.00 0.00 178.44 177.09 1xuf n GLU 186 N -4.16 0.11 -0.07 1.13 0.00 -1.26 -0.24 120.64 116.15 1xuf n GLU 186 Ca -0.03 0.16 0.01 0.00 0.00 0.00 0.00 57.16 57.31 1xuf n GLU 186 Cb 0.19 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.13 1xuf n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xuf n GLY 187 N 0.29 -2.07 3.06 -1.84 0.00 -0.63 -4.56 105.19 99.44 1xuf n GLY 187 Ca 0.06 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1xuf n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xuf n GLY 188 N -0.56 1.32 3.04 -0.02 0.00 -0.66 -4.91 105.19 103.40 1xuf n GLY 188 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1xuf n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xuf s LYS 188 N -0.04 0.21 0.02 1.61 1.02 -1.26 -3.84 119.74 117.45 1xuf s LYS 188 Ca 0.00 0.76 -0.29 0.00 0.02 0.00 0.00 55.97 56.46 1xuf s LYS 188 Cb 0.00 -0.08 0.10 0.00 -0.52 0.00 0.00 37.83 37.33 1xuf s LYS 188 CO 0.00 -0.34 0.96 0.34 -0.92 0.00 0.00 175.35 175.39 1xuf s ASP 189 N 2.47 -0.28 1.05 2.83 2.15 -0.68 -4.20 116.67 120.01 1xuf s ASP 189 Ca 0.02 -0.11 -0.09 0.00 0.43 0.00 0.00 52.55 52.81 1xuf s ASP 189 Cb -0.13 0.37 0.13 0.00 -0.30 0.00 0.00 42.92 42.99 1xuf s ASP 189 CO -0.10 -0.63 0.59 -1.54 -0.17 0.00 0.00 175.17 173.31 1xuf n SER 190 N -0.30 -0.67 -3.19 -0.34 3.41 -1.26 -0.13 113.62 111.15 1xuf n SER 190 Ca -0.07 -1.04 -0.06 0.00 -0.26 0.00 0.00 58.87 57.44 1xuf n SER 190 Cb 0.61 -0.49 0.02 0.00 -0.26 0.00 0.00 64.21 64.10 1xuf n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xuf n GLN 192 N -0.62 0.82 0.00 0.00 3.00 -1.26 -1.89 117.38 117.42 1xuf n GLN 192 Ca -0.05 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1xuf n GLN 192 Cb 0.60 -1.93 0.00 0.00 0.00 0.00 0.00 30.24 28.91 1xuf n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xuf n GLY 193 N 3.97 1.78 0.23 1.08 0.00 -1.26 -0.83 105.19 110.15 1xuf n GLY 193 Ca 0.27 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1xuf n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xuf h ASP 194 N 0.90 0.00 -0.61 1.61 3.32 -1.68 -3.28 116.42 116.68 1xuf h ASP 194 Ca 0.00 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.63 1xuf h ASP 194 Cb 0.00 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.61 1xuf h ASP 194 CO 0.00 0.00 -0.27 -1.20 -1.72 0.00 0.00 179.24 176.05 1xuf n SER 195 N -3.10 -0.65 0.00 6.45 7.64 -1.25 -0.28 113.62 122.44 1xuf n SER 195 Ca 0.03 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1xuf n SER 195 Cb 0.50 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1xuf n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xuf n GLY 196 N 1.18 2.32 3.54 0.23 0.00 -0.67 -0.67 105.19 111.12 1xuf n GLY 196 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1xuf n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xuf s GLY 197 N -1.13 1.55 0.35 -0.02 0.00 0.62 -3.59 107.32 105.09 1xuf s GLY 197 Ca 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 44.72 44.25 1xuf s GLY 197 CO 0.00 0.48 0.95 2.56 0.00 0.00 0.00 173.10 177.09 1xuf s PRO 198 N -4.60 4.49 -0.28 2.90 0.04 -1.26 -2.04 135.00 134.24 1xuf s PRO 198 Ca 0.68 1.30 0.03 0.00 0.04 0.00 0.00 61.00 63.05 1xuf s PRO 198 Cb -0.23 -2.67 0.07 0.00 0.04 0.00 0.00 34.50 31.71 1xuf s PRO 198 CO 0.63 0.20 -0.05 0.08 0.04 0.00 0.00 177.00 177.89 1xuf s VAL 199 N -1.72 2.09 -0.13 -0.36 1.01 -0.77 -3.40 120.40 117.12 1xuf s VAL 199 Ca 0.53 -1.79 -0.02 0.00 0.00 0.00 0.00 61.98 60.70 1xuf s VAL 199 Cb -0.17 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1xuf s VAL 199 CO 0.22 -0.22 -0.07 -0.69 0.00 0.00 0.00 175.10 174.34 1xuf s VAL 200 N 1.09 3.65 -0.07 2.92 1.01 -0.70 -0.50 120.40 127.80 1xuf s VAL 200 Ca -0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1xuf s VAL 200 Cb -0.19 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.65 1xuf s VAL 200 CO -0.07 0.52 0.01 0.00 0.00 0.00 0.00 175.10 175.56 1xuf n SER 202 N 5.09 -2.48 -1.18 0.00 7.64 -1.26 -2.25 113.62 119.17 1xuf n SER 202 Ca -0.08 -0.85 -0.15 0.00 1.01 0.00 0.00 58.87 58.80 1xuf n SER 202 Cb 0.50 -3.75 -0.06 0.00 -1.01 0.00 0.00 64.21 59.88 1xuf n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xuf n GLY 203 N -1.67 1.53 3.28 0.23 0.00 -1.26 -5.02 105.19 102.28 1xuf n GLY 203 Ca -0.15 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 1xuf n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xuf s LYS 204 N -3.32 1.12 -0.26 1.61 -0.14 -0.96 -4.27 119.74 113.51 1xuf s LYS 204 Ca 0.00 -1.22 -0.27 0.00 -1.36 0.00 0.00 55.97 53.12 1xuf s LYS 204 Cb 0.00 -1.24 0.01 0.00 -1.68 0.00 0.00 37.83 34.92 1xuf s LYS 204 CO 0.00 0.27 0.94 -1.17 -0.76 0.00 0.00 175.35 174.63 1xuf s LEU 209 N -2.19 4.06 -0.03 3.17 2.96 0.52 -1.54 118.68 125.63 1xuf s LEU 209 Ca 0.09 1.10 0.11 0.00 -0.22 0.00 0.00 54.13 55.20 1xuf s LEU 209 Cb -0.08 -3.36 -0.17 0.00 0.50 0.00 0.00 46.19 43.08 1xuf s LEU 209 CO 0.05 -0.65 0.22 0.00 -1.32 0.00 0.00 176.35 174.64 1xuf n GLN 210 N 6.31 0.65 -4.07 1.98 1.13 0.34 -3.99 117.38 119.73 1xuf n GLN 210 Ca 0.09 -0.09 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1xuf n GLN 210 Cb 0.47 -1.27 -0.06 0.00 0.11 0.00 0.00 30.24 29.49 1xuf n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1xuf s GLY 211 N -3.47 1.08 -0.08 1.08 0.00 -1.00 -1.72 107.32 103.21 1xuf s GLY 211 Ca -0.04 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.41 1xuf s GLY 211 CO 0.47 -0.91 -0.10 -0.42 0.00 0.00 0.00 173.10 172.13 1xuf s ILE 212 N -3.65 1.07 -0.22 0.90 1.01 -1.13 -1.84 121.20 117.33 1xuf s ILE 212 Ca 0.29 -0.40 -0.33 0.00 0.00 0.00 0.00 60.65 60.21 1xuf s ILE 212 Cb 0.01 -1.01 -0.10 0.00 0.01 0.00 0.00 42.46 41.37 1xuf s ILE 212 CO 0.14 0.35 2.08 0.52 0.00 0.00 0.00 174.94 178.03 1xuf n VAL 213 N 4.19 0.37 0.00 2.92 0.31 -0.87 -2.08 118.33 123.18 1xuf n VAL 213 Ca -0.20 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1xuf n VAL 213 Cb 0.51 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1xuf n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1xuf n SER 214 N 9.10 0.00 -2.46 4.52 2.88 -0.95 -1.67 113.62 125.05 1xuf n SER 214 Ca 0.31 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.75 1xuf n SER 214 Cb 0.31 -0.13 -0.02 0.00 -0.75 0.00 0.00 64.21 63.62 1xuf n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1xuf n TRP 215 N -2.35 -1.32 0.00 0.66 4.27 -1.05 -4.91 117.44 112.74 1xuf n TRP 215 Ca 0.00 -1.69 0.00 0.00 -3.89 0.00 0.00 57.50 51.92 1xuf n TRP 215 Cb 0.00 0.45 0.00 0.00 -1.36 0.00 0.00 31.31 30.40 1xuf n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1xuf n GLY 216 N -0.42 -0.78 3.37 -1.67 0.00 -1.26 -1.00 105.19 103.43 1xuf n GLY 216 Ca -0.01 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 1xuf n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xuf s SER 217 N 0.00 5.41 0.91 1.61 0.15 -1.26 -4.94 113.70 115.58 1xuf s SER 217 Ca 0.00 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.88 1xuf s SER 217 Cb 0.00 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1xuf s SER 217 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1xuf n GLY 219 N 4.92 1.44 3.01 9.45 0.00 -1.26 -4.58 105.19 118.17 1xuf n GLY 219 Ca -0.13 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1xuf n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xuf n ALA 221 N 4.35 -0.30 -2.03 0.00 0.00 -1.26 -4.57 120.51 116.70 1xuf n ALA 221 Ca -0.24 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1xuf n ALA 221 Cb 0.52 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 1xuf n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xuf s GLN 221 N -4.06 4.09 0.23 0.00 -0.21 -1.26 -1.65 119.66 116.81 1xuf s GLN 221 Ca 0.00 0.83 -0.32 0.00 0.02 0.00 0.00 55.36 55.89 1xuf s GLN 221 Cb 0.00 -2.38 -0.12 0.00 1.00 0.00 0.00 33.01 31.51 1xuf s GLN 221 CO 0.00 0.11 1.65 1.17 -2.12 0.00 0.00 175.29 176.10 1xuf n LYS 222 N -0.40 2.64 -1.33 2.91 4.81 -1.26 -2.04 118.16 123.50 1xuf n LYS 222 Ca 0.04 0.95 -0.11 0.00 -0.87 0.00 0.00 58.31 58.32 1xuf n LYS 222 Cb 0.53 -2.75 -0.05 0.00 0.02 0.00 0.00 35.03 32.78 1xuf n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xuf n ASN 223 N 3.18 -5.64 -3.67 3.14 4.13 0.67 -4.91 115.26 112.16 1xuf n ASN 223 Ca 0.13 0.28 -0.27 0.00 1.68 0.00 0.00 54.58 56.40 1xuf n ASN 223 Cb 0.35 -4.13 -0.11 0.00 -1.54 0.00 0.00 39.78 34.35 1xuf n ASN 223 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1xuf n LYS 224 N -0.96 1.51 -1.45 3.52 4.76 -0.86 -4.77 118.16 119.90 1xuf n LYS 224 Ca -0.11 -4.15 -0.30 0.00 -2.87 0.00 0.00 58.31 50.88 1xuf n LYS 224 Cb 0.58 -2.08 0.11 0.00 -1.84 0.00 0.00 35.03 31.80 1xuf n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1xuf s PRO 225 N -1.27 1.82 0.45 1.97 0.04 -1.26 -4.31 135.00 132.43 1xuf s PRO 225 Ca 0.30 0.69 -0.23 0.00 0.04 0.00 0.00 61.00 61.80 1xuf s PRO 225 Cb 0.02 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1xuf s PRO 225 CO -0.15 -1.82 1.11 0.20 0.04 0.00 0.00 177.00 176.38 1xuf s GLY 226 N -3.76 2.72 -0.02 0.56 0.00 -1.08 -4.65 107.32 101.08 1xuf s GLY 226 Ca 0.62 0.81 0.02 0.00 0.00 0.00 0.00 44.72 46.16 1xuf s GLY 226 CO 0.55 1.23 -0.04 0.14 0.00 0.00 0.00 173.10 174.98 1xuf s VAL 227 N -1.66 3.91 0.00 1.40 1.01 -0.17 -1.72 120.40 123.17 1xuf s VAL 227 Ca 0.63 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1xuf s VAL 227 Cb -0.24 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1xuf s VAL 227 CO 0.30 0.44 -0.06 -0.31 0.00 0.00 0.00 175.10 175.47 1xuf s TYR 228 N -0.99 0.49 0.17 5.22 2.02 0.18 -2.24 117.35 122.19 1xuf s TYR 228 Ca 0.17 -0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.40 1xuf s TYR 228 Cb -0.11 -0.31 -0.08 0.00 -0.40 0.00 0.00 41.96 41.06 1xuf s TYR 228 CO 0.07 -0.02 1.22 0.99 -1.57 0.00 0.00 175.55 176.24 1xuf s THR 229 N -0.35 3.58 -0.76 -0.71 2.01 -0.88 -0.96 115.64 117.57 1xuf s THR 229 Ca -0.00 1.29 -0.24 0.00 0.31 0.00 0.00 61.69 63.04 1xuf s THR 229 Cb -0.03 -3.82 0.06 0.00 0.01 0.00 0.00 72.50 68.71 1xuf s THR 229 CO -0.00 0.18 1.17 -0.75 -0.69 0.00 0.00 174.62 174.54 1xuf s LYS 230 N 0.02 3.24 0.39 4.92 2.20 0.90 -2.86 119.74 128.54 1xuf s LYS 230 Ca 0.55 -0.68 0.06 0.00 -0.36 0.00 0.00 55.97 55.53 1xuf s LYS 230 Cb -0.33 -4.40 0.77 0.00 -1.51 0.00 0.00 37.83 32.37 1xuf s LYS 230 CO 0.35 -2.01 2.01 0.28 -0.36 0.00 0.00 175.35 175.63 1xuf h VAL 231 N 6.09 1.13 0.00 4.02 2.07 -1.65 -2.35 116.25 125.55 1xuf h VAL 231 Ca -0.19 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1xuf h VAL 231 Cb 1.05 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1xuf h VAL 231 CO 1.25 0.15 0.00 0.00 0.02 0.00 0.00 177.57 178.98 1xuf h ASN 233 N 0.00 0.00 -0.15 0.00 4.21 -1.82 -3.34 115.58 114.49 1xuf h ASN 233 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1xuf h ASN 233 Cb 0.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1xuf h ASN 233 CO 0.00 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.92 1xuf n TYR 234 N -2.63 0.18 -0.22 1.19 4.01 0.63 -4.69 117.16 115.64 1xuf n TYR 234 Ca 0.04 -0.12 -0.05 0.00 -0.16 0.00 0.00 57.90 57.61 1xuf n TYR 234 Cb 0.42 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.50 1xuf n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1xuf h VAL 235 N 3.30 1.12 -0.38 -0.72 2.07 -1.67 0.13 116.25 120.10 1xuf h VAL 235 Ca 0.00 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 1xuf h VAL 235 Cb 0.75 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1xuf h VAL 235 CO 0.00 0.15 -0.32 0.77 0.02 0.00 0.00 177.57 178.19 1xuf h SER 236 N 0.81 0.94 0.31 0.57 4.64 -1.89 -0.90 113.55 118.03 1xuf h SER 236 Ca 0.24 -0.45 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1xuf h SER 236 Cb -0.04 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.79 1xuf h SER 236 CO -0.08 1.19 -0.15 -0.25 -0.87 0.00 0.00 176.83 176.68 1xuf h TRP 237 N 0.70 -0.39 -0.25 4.77 7.01 -1.77 -1.20 115.95 124.81 1xuf h TRP 237 Ca 0.07 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.12 1xuf h TRP 237 Cb 0.91 0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 28.02 1xuf h TRP 237 CO 0.06 -0.22 -0.29 0.82 -2.79 0.00 0.00 178.44 176.03 1xuf h ILE 238 N -0.45 0.31 -0.91 2.65 2.04 -0.85 -0.17 117.51 120.13 1xuf h ILE 238 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1xuf h ILE 238 Cb 0.34 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1xuf h ILE 238 CO 0.07 0.00 0.54 0.11 0.00 0.00 0.00 178.15 178.87 1xuf h LYS 239 N -0.30 1.24 -0.56 2.37 1.57 -1.06 -1.42 116.57 118.41 1xuf h LYS 239 Ca 0.13 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1xuf h LYS 239 Cb 0.51 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1xuf h LYS 239 CO -0.42 0.87 -0.06 1.96 -0.57 0.00 0.00 179.45 181.23 1xuf h GLN 240 N 1.25 1.02 -0.22 3.15 7.50 -0.76 -1.74 115.11 125.32 1xuf h GLN 240 Ca 0.33 -0.35 -0.05 0.00 0.50 0.00 0.00 58.65 59.08 1xuf h GLN 240 Cb -0.05 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.40 1xuf h GLN 240 CO -0.06 1.03 -0.04 1.15 -1.50 0.00 0.00 178.83 179.41 1xuf h THR 241 N 0.92 1.28 -0.49 -0.54 2.02 -0.85 -2.89 112.91 112.35 1xuf h THR 241 Ca 0.15 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1xuf h THR 241 Cb 0.62 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1xuf h THR 241 CO 0.04 0.31 0.18 0.40 0.37 0.00 0.00 175.52 176.82 1xuf h ILE 242 N 0.16 1.19 0.00 3.11 2.04 -1.16 -1.90 117.51 120.95 1xuf h ILE 242 Ca 0.06 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1xuf h ILE 242 Cb 0.49 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1xuf h ILE 242 CO 0.02 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.40 1xuf n ALA 243 N -2.46 2.01 -0.12 1.87 0.00 -0.66 -3.49 120.51 117.66 1xuf n ALA 243 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xuf n ALA 243 Cb 0.17 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1xuf n ALA 243 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xuf n SER 244 N -1.58 1.37 0.00 0.00 2.88 -0.74 -5.09 113.62 110.45 1xuf n SER 244 Ca 0.05 -1.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.10 1xuf n SER 244 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1xuf n SER 244 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40