#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4s n PRO 19 N 0.00 0.00 -1.69 0.00 -0.02 -1.26 -4.61 135.00 127.42 1u4s n PRO 19 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1u4s n PRO 19 Cb 0.00 -1.32 -0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1u4s n PRO 19 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1u4s n LYS 20 N -0.73 2.03 -1.68 -0.52 5.02 -1.26 -4.97 118.16 116.05 1u4s n LYS 20 Ca 0.00 0.72 -0.41 0.00 -2.02 0.00 0.00 58.31 56.60 1u4s n LYS 20 Cb 0.00 -2.32 0.02 0.00 -0.02 0.00 0.00 35.03 32.71 1u4s n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u4s n ALA 21 N 0.16 1.00 -2.95 7.82 0.00 -1.26 -4.81 120.51 120.47 1u4s n ALA 21 Ca 0.05 0.22 -0.36 0.00 0.00 0.00 0.00 53.44 53.36 1u4s n ALA 21 Cb 0.37 -2.22 -0.12 0.00 0.00 0.00 0.00 19.45 17.48 1u4s n ALA 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1u4s s LYS 22 N -2.28 3.75 -0.23 0.00 2.20 -1.26 -1.05 119.74 120.88 1u4s s LYS 22 Ca 0.64 -0.44 -0.02 0.00 -0.36 0.00 0.00 55.97 55.79 1u4s s LYS 22 Cb -0.50 -3.32 0.02 0.00 -1.51 0.00 0.00 37.83 32.52 1u4s s LYS 22 CO 0.56 -0.07 -0.08 0.42 -0.36 0.00 0.00 175.35 175.82 1u4s s ILE 23 N 1.32 2.84 -0.23 5.43 1.01 0.06 -0.72 121.20 130.90 1u4s s ILE 23 Ca 0.05 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.72 1u4s s ILE 23 Cb -0.15 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 1u4s s ILE 23 CO 0.04 0.29 0.02 -0.69 0.00 0.00 0.00 174.94 174.60 1u4s s VAL 24 N 1.35 3.97 -0.57 2.92 1.01 0.24 -1.28 120.40 128.04 1u4s s VAL 24 Ca 0.02 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1u4s s VAL 24 Cb -0.16 -2.83 0.12 0.00 0.00 0.00 0.00 36.38 33.51 1u4s s VAL 24 CO -0.06 0.39 0.60 -0.76 0.00 0.00 0.00 175.10 175.27 1u4s s LEU 25 N 1.40 5.81 -0.85 3.92 1.43 0.57 -0.78 118.68 130.18 1u4s s LEU 25 Ca 0.05 -1.62 -0.24 0.00 -1.03 0.00 0.00 54.13 51.28 1u4s s LEU 25 Cb -0.15 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 43.87 1u4s s LEU 25 CO 0.01 -0.98 1.29 -0.69 0.23 0.00 0.00 176.35 176.21 1u4s s VAL 26 N 2.11 3.97 0.00 -1.59 1.01 0.44 -1.05 120.40 125.29 1u4s s VAL 26 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1u4s s VAL 26 Cb -0.27 -4.93 0.00 0.00 0.00 0.00 0.00 36.38 31.18 1u4s s VAL 26 CO 0.04 -1.80 0.00 0.61 0.00 0.00 0.00 175.10 173.95 1u4s n GLY 27 N 5.93 2.97 1.83 4.51 0.00 0.13 -1.06 105.19 119.51 1u4s n GLY 27 Ca 0.15 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 1u4s n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u4s n SER 28 N 0.00 4.62 -2.79 1.61 7.64 -1.12 -4.39 113.62 119.19 1u4s n SER 28 Ca 0.00 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.11 1u4s n SER 28 Cb 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1u4s n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u4s n GLY 29 N -0.79 0.94 0.20 0.23 0.00 -1.26 -4.58 105.19 99.93 1u4s n GLY 29 Ca 0.42 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 1u4s n GLY 29 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1u4s h MET 30 N 0.00 0.63 -0.31 1.61 2.86 -1.99 0.40 114.93 118.13 1u4s h MET 30 Ca 0.00 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1u4s h MET 30 Cb 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1u4s h MET 30 CO 0.00 0.80 0.13 0.82 1.06 0.00 0.00 176.91 179.73 1u4s h ILE 31 N 0.41 1.17 -0.79 -1.22 2.04 -1.93 -2.25 117.51 114.95 1u4s h ILE 31 Ca 0.08 -0.52 0.09 0.00 1.00 0.00 0.00 64.86 65.51 1u4s h ILE 31 Cb 0.57 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 1u4s h ILE 31 CO 0.03 0.18 0.44 1.23 0.00 0.00 0.00 178.15 180.04 1u4s h GLY 32 N 0.36 1.21 1.66 5.37 0.00 -1.71 -1.13 103.07 108.82 1u4s h GLY 32 Ca 0.10 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1u4s h GLY 32 CO -0.01 0.13 -0.48 -1.33 0.00 0.00 0.00 176.54 174.85 1u4s h GLY 33 N 0.76 0.41 1.73 4.60 0.00 -0.55 -1.33 103.07 108.67 1u4s h GLY 33 Ca 0.38 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 47.08 1u4s h GLY 33 CO -0.24 0.39 -0.83 -2.08 0.00 0.00 0.00 176.54 173.77 1u4s h VAL 35 N 0.30 1.46 -0.44 4.60 2.07 -1.01 -2.40 116.25 120.83 1u4s h VAL 35 Ca 0.02 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 1u4s h VAL 35 Cb 0.95 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 1u4s h VAL 35 CO 0.08 0.72 0.23 0.24 0.02 0.00 0.00 177.57 178.86 1u4s h MET 36 N 0.15 0.62 -0.38 1.57 2.86 -1.01 -0.90 114.93 117.84 1u4s h MET 36 Ca -0.04 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1u4s h MET 36 Cb 1.44 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.97 1u4s h MET 36 CO 0.13 0.51 0.18 0.00 1.06 0.00 0.00 176.91 178.79 1u4s h ALA 37 N 1.07 0.49 -0.44 6.32 0.00 -1.05 -1.20 119.26 124.45 1u4s h ALA 37 Ca 0.15 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1u4s h ALA 37 Cb 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1u4s h ALA 37 CO -0.02 0.05 0.14 1.15 0.00 0.00 0.00 179.25 180.56 1u4s h THR 38 N 0.47 0.84 -0.12 0.00 2.02 -1.12 -2.40 112.91 112.60 1u4s h THR 38 Ca 0.13 -0.10 -0.12 0.00 0.77 0.00 0.00 66.41 67.09 1u4s h THR 38 Cb 0.11 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1u4s h THR 38 CO -0.02 0.05 -0.46 -0.07 0.37 0.00 0.00 175.52 175.40 1u4s h LEU 39 N 0.29 0.32 -0.60 2.58 3.38 -0.88 -1.54 115.31 118.86 1u4s h LEU 39 Ca 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1u4s h LEU 39 Cb 0.22 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1u4s h LEU 39 CO -0.23 0.74 0.28 0.40 0.09 0.00 0.00 178.44 179.72 1u4s h ILE 40 N 0.25 1.21 -0.14 1.22 2.04 -0.86 -0.56 117.51 120.67 1u4s h ILE 40 Ca 0.02 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1u4s h ILE 40 Cb 0.91 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1u4s h ILE 40 CO 0.07 0.25 -0.03 0.58 0.00 0.00 0.00 178.15 179.03 1u4s h VAL 41 N 0.82 1.28 -1.00 1.67 2.07 -1.36 0.39 116.25 120.12 1u4s h VAL 41 Ca 0.20 -0.95 0.19 0.00 0.82 0.00 0.00 66.70 66.97 1u4s h VAL 41 Cb 0.13 1.62 -0.11 0.00 -1.52 0.00 0.00 31.29 31.42 1u4s h VAL 41 CO -0.02 0.28 0.60 1.56 0.02 0.00 0.00 177.57 180.01 1u4s h GLN 42 N -0.03 0.74 -0.18 1.57 1.08 -1.06 -1.46 115.11 115.78 1u4s h GLN 42 Ca 0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1u4s h GLN 42 Cb 0.44 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1u4s h GLN 42 CO 0.01 0.49 0.00 1.63 -0.95 0.00 0.00 178.83 180.01 1u4s n LYS 43 N -4.77 2.23 -3.96 1.46 5.02 -0.24 -4.98 118.16 112.93 1u4s n LYS 43 Ca 0.23 -1.82 -0.29 0.00 -2.02 0.00 0.00 58.31 54.40 1u4s n LYS 43 Cb 0.56 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 34.10 1u4s n LYS 43 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1u4s n ASN 44 N 1.11 -3.14 0.06 4.39 5.15 0.12 -4.89 115.26 118.07 1u4s n ASN 44 Ca 0.17 -0.88 -0.05 0.00 -0.60 0.00 0.00 54.58 53.22 1u4s n ASN 44 Cb 0.53 -3.52 -0.10 0.00 -0.53 0.00 0.00 39.78 36.17 1u4s n ASN 44 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1u4s h LEU 45 N -1.88 0.00 0.00 1.20 4.07 -1.46 -3.49 115.31 113.75 1u4s h LEU 45 Ca -0.60 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.36 1u4s h LEU 45 Cb 1.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1u4s h LEU 45 CO 0.67 0.91 0.00 0.61 -1.08 0.00 0.00 178.44 179.55 1u4s n GLY 46 N 1.35 0.11 3.76 0.83 0.00 -1.26 -4.55 105.19 105.43 1u4s n GLY 46 Ca -0.02 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 1u4s n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u4s s ASP 47 N 0.00 5.60 -0.04 1.61 1.01 -0.21 -4.65 116.67 119.98 1u4s s ASP 47 Ca 0.00 2.42 0.05 0.00 0.71 0.00 0.00 52.55 55.73 1u4s s ASP 47 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1u4s s ASP 47 CO 0.00 -1.32 -0.20 -0.69 0.21 0.00 0.00 175.17 173.17 1u4s s VAL 49 N -1.53 1.65 -0.22 -1.27 1.01 0.12 -0.76 120.40 119.40 1u4s s VAL 49 Ca 0.71 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1u4s s VAL 49 Cb -0.31 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1u4s s VAL 49 CO 0.36 0.47 -0.09 -0.69 0.00 0.00 0.00 175.10 175.15 1u4s s VAL 50 N -0.11 2.93 -0.67 2.92 1.01 -0.40 -1.03 120.40 125.04 1u4s s VAL 50 Ca -0.02 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 1u4s s VAL 50 Cb -0.12 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 33.98 1u4s s VAL 50 CO 0.02 0.40 1.00 -0.76 0.00 0.00 0.00 175.10 175.76 1u4s s LEU 51 N 1.40 4.26 -0.06 3.92 1.43 0.36 -0.32 118.68 129.67 1u4s s LEU 51 Ca 0.04 -0.94 -0.09 0.00 -1.03 0.00 0.00 54.13 52.12 1u4s s LEU 51 Cb -0.14 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 1u4s s LEU 51 CO -0.06 -1.48 0.23 0.12 0.23 0.00 0.00 176.35 175.39 1u4s s PHE 52 N 4.24 3.63 0.12 0.29 5.36 -0.21 -1.20 117.98 130.20 1u4s s PHE 52 Ca 0.23 0.65 -0.21 0.00 -0.96 0.00 0.00 56.93 56.64 1u4s s PHE 52 Cb -0.16 -2.03 0.06 0.00 -0.34 0.00 0.00 43.02 40.55 1u4s s PHE 52 CO 0.11 0.69 0.54 0.34 -1.46 0.00 0.00 175.22 175.43 1u4s s ASP 53 N -1.19 -0.46 0.41 6.13 -1.08 -0.63 -0.69 116.67 119.15 1u4s s ASP 53 Ca 0.20 -0.02 0.26 0.00 -0.52 0.00 0.00 52.55 52.47 1u4s s ASP 53 Cb -0.13 0.55 0.67 0.00 -1.46 0.00 0.00 42.92 42.54 1u4s s ASP 53 CO 0.09 -0.88 1.72 0.16 0.52 0.00 0.00 175.17 176.78 1u4s h ILE 54 N 2.28 0.00 -3.01 4.11 3.07 -1.92 -3.39 117.51 118.64 1u4s h ILE 54 Ca -0.33 -0.76 -0.55 0.00 1.55 0.00 0.00 64.86 64.77 1u4s h ILE 54 Cb 1.27 1.74 -0.02 0.00 -0.27 0.00 0.00 36.82 39.55 1u4s h ILE 54 CO 0.41 0.00 0.76 -0.69 -1.05 0.00 0.00 178.15 177.58 1u4s s VAL 55 N -3.28 4.10 0.20 0.16 1.01 -1.26 -4.96 120.40 116.37 1u4s s VAL 55 Ca 0.06 1.43 -0.32 0.00 0.00 0.00 0.00 61.98 63.16 1u4s s VAL 55 Cb 0.07 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 1u4s s VAL 55 CO 0.61 -0.02 1.73 1.17 0.00 0.00 0.00 175.10 178.59 1u4s n LYS 56 N 5.42 2.76 0.00 2.72 3.00 -1.26 -4.05 118.16 126.76 1u4s n LYS 56 Ca 0.12 1.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.43 1u4s n LYS 56 Cb 0.45 -2.84 0.00 0.00 0.00 0.00 0.00 35.03 32.64 1u4s n LYS 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1u4s n ASN 57 N 4.04 0.00 -0.23 3.14 5.03 -1.26 -4.75 115.26 121.22 1u4s n ASN 57 Ca 0.16 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.60 1u4s n ASN 57 Cb 0.35 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.17 1u4s n ASN 57 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 1u4s h MET 58 N 0.00 -0.04 -0.32 3.52 4.05 -2.00 -0.12 114.93 120.03 1u4s h MET 58 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1u4s h MET 58 Cb 0.00 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1u4s h MET 58 CO 0.00 -0.03 0.02 -1.00 0.23 0.00 0.00 176.91 176.14 1u4s h PRO 59 N -0.04 0.48 -0.91 0.39 0.13 -1.86 -0.65 132.00 129.54 1u4s h PRO 59 Ca 0.31 -0.09 0.01 0.00 -0.87 0.00 0.00 66.00 65.36 1u4s h PRO 59 Cb 0.52 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.53 1u4s h PRO 59 CO -0.71 0.49 0.60 0.45 -0.23 0.00 0.00 178.00 178.61 1u4s h HIS 60 N 0.47 1.15 -0.15 1.56 3.86 -1.35 -0.27 115.15 120.41 1u4s h HIS 60 Ca 0.11 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 1u4s h HIS 60 Cb 0.27 -0.39 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1u4s h HIS 60 CO 0.01 0.72 -0.04 0.78 0.86 0.00 0.00 177.93 180.26 1u4s h GLY 61 N 1.23 0.32 1.30 2.45 0.00 0.01 -1.60 103.07 106.79 1u4s h GLY 61 Ca 0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1u4s h GLY 61 CO -0.07 0.24 0.25 0.50 0.00 0.00 0.00 176.54 177.46 1u4s h LYS 62 N -0.00 0.89 -0.45 4.80 1.57 -1.15 -2.28 116.57 119.95 1u4s h LYS 62 Ca 0.04 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1u4s h LYS 62 Cb 0.46 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1u4s h LYS 62 CO 0.01 0.73 -0.12 0.00 -0.57 0.00 0.00 179.45 179.51 1u4s h ALA 63 N 1.39 0.62 0.33 3.86 0.00 -0.91 -1.15 119.26 123.41 1u4s h ALA 63 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1u4s h ALA 63 Cb 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u4s h ALA 63 CO -0.02 0.52 -0.20 1.25 0.00 0.00 0.00 179.25 180.79 1u4s h LEU 64 N 0.71 -0.51 -0.50 0.00 5.85 -1.11 0.62 115.31 120.36 1u4s h LEU 64 Ca 0.11 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.96 1u4s h LEU 64 Cb 0.66 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 1u4s h LEU 64 CO 0.05 -0.33 -0.23 -0.78 -0.34 0.00 0.00 178.44 176.81 1u4s h ASP 65 N -0.52 -0.78 -0.42 1.25 3.58 -1.31 -2.31 116.42 115.91 1u4s h ASP 65 Ca -0.03 0.18 -0.10 0.00 0.42 0.00 0.00 57.03 57.50 1u4s h ASP 65 Cb 0.43 0.42 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 1u4s h ASP 65 CO 0.03 -0.25 -0.09 0.74 -2.88 0.00 0.00 179.24 176.79 1u4s h THR 66 N -0.11 1.26 -0.68 2.25 2.02 -0.94 -3.16 112.91 113.55 1u4s h THR 66 Ca 0.23 -1.18 0.09 0.00 0.77 0.00 0.00 66.41 66.32 1u4s h THR 66 Cb 0.47 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1u4s h THR 66 CO -0.57 0.41 0.45 0.77 0.37 0.00 0.00 175.52 176.95 1u4s h SER 67 N 0.79 0.50 0.27 4.18 4.64 -0.29 -1.78 113.55 121.87 1u4s h SER 67 Ca 0.13 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1u4s h SER 67 Cb 0.60 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1u4s h SER 67 CO 0.04 0.30 -0.07 0.45 -0.87 0.00 0.00 176.83 176.68 1u4s h HIS 68 N 0.56 0.00 0.00 4.77 -0.00 -1.51 -2.42 115.15 116.55 1u4s h HIS 68 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.68 1u4s h HIS 68 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 1u4s h HIS 68 CO -0.00 0.07 0.00 0.25 -0.00 0.00 0.00 177.93 178.25 1u4s n THR 69 N -3.60 1.06 -0.16 2.45 -2.24 -0.67 -2.04 114.28 109.07 1u4s n THR 69 Ca -0.02 0.40 0.15 0.00 -2.27 0.00 0.00 64.05 62.30 1u4s n THR 69 Cb 0.19 -1.32 0.49 0.00 -2.10 0.00 0.00 70.33 67.59 1u4s n THR 69 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1u4s h ASN 70 N 0.00 0.41 0.22 3.42 2.35 -1.60 0.01 115.58 120.39 1u4s h ASN 70 Ca 0.00 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1u4s h ASN 70 Cb 0.20 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1u4s h ASN 70 CO 0.00 0.22 -0.11 0.58 -1.65 0.00 0.00 177.43 176.47 1u4s h VAL 71 N 0.44 0.84 -0.10 2.81 2.07 -1.65 -0.89 116.25 119.77 1u4s h VAL 71 Ca 0.36 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1u4s h VAL 71 Cb 0.79 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1u4s h VAL 71 CO -0.12 0.16 0.01 0.24 0.02 0.00 0.00 177.57 177.87 1u4s h MET 72 N -0.70 0.14 -0.00 1.57 2.86 -1.61 -2.94 114.93 114.25 1u4s h MET 72 Ca -0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1u4s h MET 72 Cb 0.48 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1u4s h MET 72 CO 0.05 0.15 -0.62 0.00 1.06 0.00 0.00 176.91 177.55 1u4s n ALA 73 N -2.52 3.88 -2.70 6.32 0.00 -0.05 -4.95 120.51 120.49 1u4s n ALA 73 Ca -0.01 -0.51 -0.19 0.00 0.00 0.00 0.00 53.44 52.73 1u4s n ALA 73 Cb 0.13 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.66 1u4s n ALA 73 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u4s n TYR 73 N -1.04 -1.38 -3.43 0.00 4.02 -0.45 -5.00 117.16 109.87 1u4s n TYR 73 Ca 0.07 0.29 -0.21 0.00 -0.01 0.00 0.00 57.90 58.04 1u4s n TYR 73 Cb 0.36 -3.84 -0.01 0.00 -0.02 0.00 0.00 39.34 35.84 1u4s n TYR 73 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1u4s s SER 74 N -2.55 5.12 -0.41 7.72 0.01 -0.52 -5.06 113.70 118.02 1u4s s SER 74 Ca 0.17 -0.76 0.08 0.00 1.31 0.00 0.00 55.95 56.74 1u4s s SER 74 Cb -0.07 -0.35 0.25 0.00 0.21 0.00 0.00 66.02 66.05 1u4s s SER 74 CO 0.20 -0.82 0.57 -3.20 0.41 0.00 0.00 173.24 170.40 1u4s n ASN 75 N -1.72 -0.31 -4.33 2.44 5.15 -1.26 -4.68 115.26 110.55 1u4s n ASN 75 Ca 0.05 -2.77 -0.34 0.00 -0.60 0.00 0.00 54.58 50.93 1u4s n ASN 75 Cb 0.62 -0.27 -0.14 0.00 -0.53 0.00 0.00 39.78 39.45 1u4s n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u4s s LYS 77 N 0.79 4.13 -0.14 0.00 1.02 -1.26 -4.87 119.74 119.40 1u4s s LYS 77 Ca -0.04 2.06 -0.01 0.00 0.02 0.00 0.00 55.97 58.00 1u4s s LYS 77 Cb -0.15 -2.84 0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1u4s s LYS 77 CO 0.01 -0.33 -0.03 0.08 -0.92 0.00 0.00 175.35 174.16 1u4s s VAL 78 N -1.27 0.85 0.09 3.17 1.01 -1.26 0.15 120.40 123.14 1u4s s VAL 78 Ca 0.54 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.18 1u4s s VAL 78 Cb -0.36 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1u4s s VAL 78 CO 0.47 0.15 -0.14 -0.94 0.00 0.00 0.00 175.10 174.63 1u4s s SER 79 N 1.75 1.77 0.41 3.32 1.04 -0.20 -4.58 113.70 117.21 1u4s s SER 79 Ca 0.02 -0.70 0.02 0.00 0.48 0.00 0.00 55.95 55.77 1u4s s SER 79 Cb -0.14 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 1u4s s SER 79 CO -0.07 -0.12 0.60 -0.83 0.98 0.00 0.00 173.24 173.80 1u4s s GLY 80 N -2.06 1.54 -0.27 7.32 0.00 -1.26 -0.48 107.32 112.11 1u4s s GLY 80 Ca 0.03 -1.14 -0.20 0.00 0.00 0.00 0.00 44.72 43.41 1u4s s GLY 80 CO 0.02 -1.00 0.69 -0.45 0.00 0.00 0.00 173.10 172.36 1u4s s SER 81 N -4.18 -0.82 -0.23 1.64 0.15 -0.34 -4.82 113.70 105.10 1u4s s SER 81 Ca 0.46 1.44 0.13 0.00 0.70 0.00 0.00 55.95 58.68 1u4s s SER 81 Cb -0.10 1.39 0.47 0.00 -1.71 0.00 0.00 66.02 66.08 1u4s s SER 81 CO 0.36 -0.24 1.38 0.59 1.20 0.00 0.00 173.24 176.53 1u4s n ASN 83 N 3.49 2.77 -3.86 5.45 5.03 -1.26 -1.61 115.26 125.27 1u4s n ASN 83 Ca -0.17 -3.48 -0.27 0.00 0.87 0.00 0.00 54.58 51.53 1u4s n ASN 83 Cb 0.57 -0.57 -0.17 0.00 -1.02 0.00 0.00 39.78 38.59 1u4s n ASN 83 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1u4s s THR 84 N -3.08 0.91 0.47 3.41 2.01 -1.26 -4.95 115.64 113.16 1u4s s THR 84 Ca 0.41 -0.41 0.16 0.00 0.31 0.00 0.00 61.69 62.16 1u4s s THR 84 Cb 0.37 -1.08 0.32 0.00 0.01 0.00 0.00 72.50 72.12 1u4s s THR 84 CO 0.02 0.18 2.03 1.88 -0.69 0.00 0.00 174.62 178.04 1u4s h TYR 85 N 8.18 0.25 0.00 4.92 -1.99 -1.97 -1.22 116.97 125.13 1u4s h TYR 85 Ca -0.24 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1u4s h TYR 85 Cb 1.12 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.77 1u4s h TYR 85 CO 0.44 0.13 0.00 -0.25 -0.00 0.00 0.00 178.16 178.48 1u4s n ASP 86 N -4.46 0.44 0.00 3.88 10.43 -1.26 -1.23 116.55 124.35 1u4s n ASP 86 Ca 0.06 0.66 0.07 0.00 2.57 0.00 0.00 54.79 58.15 1u4s n ASP 86 Cb 0.33 -0.73 0.40 0.00 1.84 0.00 0.00 41.12 42.95 1u4s n ASP 86 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1u4s n ASP 87 N -2.04 0.00 0.26 -2.24 8.00 -0.46 -1.83 116.55 118.24 1u4s n ASP 87 Ca 0.00 -0.16 0.18 0.00 0.71 0.00 0.00 54.79 55.52 1u4s n ASP 87 Cb 0.11 -0.16 0.86 0.00 -0.02 0.00 0.00 41.12 41.90 1u4s n ASP 87 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1u4s h LEU 88 N 0.00 0.00 -9.64 0.64 3.38 -1.38 -3.45 115.31 104.85 1u4s h LEU 88 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1u4s h LEU 88 Cb 0.08 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.89 1u4s h LEU 88 CO 0.00 0.00 0.98 0.00 0.09 0.00 0.00 178.44 179.51 1u4s n ALA 89 N -1.97 2.66 -0.97 1.53 0.00 -0.76 -1.57 120.51 119.42 1u4s n ALA 89 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1u4s n ALA 89 Cb 0.14 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.09 1u4s n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u4s n GLY 90 N 3.83 0.56 3.73 0.00 0.00 -1.21 -5.00 105.19 107.12 1u4s n GLY 90 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1u4s n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u4s s ALA 91 N -2.42 3.73 0.01 4.61 0.00 -0.61 -4.64 121.76 122.44 1u4s s ALA 91 Ca 0.00 1.39 -0.06 0.00 0.00 0.00 0.00 51.96 53.29 1u4s s ALA 91 Cb 0.00 -3.60 -0.29 0.00 0.00 0.00 0.00 23.12 19.22 1u4s s ALA 91 CO 0.00 -0.80 0.88 -0.44 0.00 0.00 0.00 175.76 175.41 1u4s h ASP 92 N 5.90 0.48 -3.66 0.00 5.19 -1.28 -3.36 116.42 119.69 1u4s h ASP 92 Ca -0.44 -0.63 -0.37 0.00 -0.62 0.00 0.00 57.03 54.97 1u4s h ASP 92 Cb 1.21 -0.16 -0.32 0.00 0.18 0.00 0.00 39.33 40.25 1u4s h ASP 92 CO 0.85 1.51 -0.76 -0.69 -3.12 0.00 0.00 179.24 177.03 1u4s s VAL 93 N -2.61 0.46 -0.09 -1.35 1.01 -0.98 -1.49 120.40 115.34 1u4s s VAL 93 Ca -0.09 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1u4s s VAL 93 Cb 0.06 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 36.00 1u4s s VAL 93 CO 0.87 0.18 -0.18 -0.69 0.00 0.00 0.00 175.10 175.28 1u4s s VAL 94 N 0.48 1.60 -0.17 2.92 1.01 -0.07 -0.59 120.40 125.58 1u4s s VAL 94 Ca -0.06 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1u4s s VAL 94 Cb -0.09 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1u4s s VAL 94 CO -0.00 0.46 -0.17 -0.63 0.00 0.00 0.00 175.10 174.75 1u4s s ILE 95 N 0.62 1.88 -0.38 2.22 1.01 0.04 -1.19 121.20 125.40 1u4s s ILE 95 Ca -0.14 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 1u4s s ILE 95 Cb -0.16 -1.74 0.04 0.00 0.01 0.00 0.00 42.46 40.60 1u4s s ILE 95 CO 0.04 0.48 0.21 -0.69 0.00 0.00 0.00 174.94 174.98 1u4s s VAL 96 N 1.35 4.43 -0.56 2.92 1.01 -0.26 -0.42 120.40 128.87 1u4s s VAL 96 Ca 0.04 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1u4s s VAL 96 Cb -0.13 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1u4s s VAL 96 CO -0.12 -0.29 0.46 0.35 0.00 0.00 0.00 175.10 175.50 1u4s n THR 97 N 4.97 0.00 -1.92 3.92 -2.24 -0.23 -0.66 114.28 118.12 1u4s n THR 97 Ca -0.12 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.87 1u4s n THR 97 Cb 0.45 1.06 0.01 0.00 -2.10 0.00 0.00 70.33 69.75 1u4s n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u4s s ALA 98 N -1.28 3.22 0.00 6.98 0.00 -0.92 -4.63 121.76 125.12 1u4s s ALA 98 Ca 0.05 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1u4s s ALA 98 Cb 0.06 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1u4s s ALA 98 CO 0.21 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.36 1u4s n GLY 99 N 0.62 3.47 3.76 0.00 0.00 -1.26 -4.71 105.19 107.07 1u4s n GLY 99 Ca 0.05 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1u4s n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u4s s PHE 100 N -2.00 3.24 -0.08 1.61 0.40 -1.26 -4.93 117.98 114.96 1u4s s PHE 100 Ca 0.00 1.43 0.03 0.00 -0.60 0.00 0.00 56.93 57.79 1u4s s PHE 100 Cb 0.00 -3.56 -0.03 0.00 0.51 0.00 0.00 43.02 39.93 1u4s s PHE 100 CO 0.00 -1.54 0.09 0.25 0.70 0.00 0.00 175.22 174.73 1u4s n THR 101 N 1.38 0.00 -3.74 0.64 -2.24 -1.26 -4.95 114.28 104.11 1u4s n THR 101 Ca 0.01 -0.29 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 1u4s n THR 101 Cb 0.43 0.78 -0.16 0.00 -2.10 0.00 0.00 70.33 69.28 1u4s n THR 101 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u4s s LYS 102 N -1.62 0.72 1.37 -0.78 3.01 -1.26 -5.03 119.74 116.16 1u4s s LYS 102 Ca 0.00 -0.74 -0.21 0.00 -1.01 0.00 0.00 55.97 54.01 1u4s s LYS 102 Cb 0.02 -2.04 0.34 0.00 -1.01 0.00 0.00 37.83 35.14 1u4s s LYS 102 CO 0.11 -0.81 0.81 0.27 0.51 0.00 0.00 175.35 176.25 1u4s n ASN 108 N 4.95 -3.57 -0.22 2.83 0.23 -1.26 -5.05 115.26 113.17 1u4s n ASN 108 Ca -0.06 -0.67 0.00 0.00 -0.53 0.00 0.00 54.58 53.32 1u4s n ASN 108 Cb 0.44 -1.02 0.08 0.00 -2.08 0.00 0.00 39.78 37.20 1u4s n ASN 108 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1u4s h ARG 109 N -3.34 0.02 -0.32 -3.83 0.11 -2.02 -1.37 114.38 103.64 1u4s h ARG 109 Ca -0.43 -0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.67 1u4s h ARG 109 Cb 1.27 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.33 1u4s h ARG 109 CO 0.29 0.01 0.22 -0.44 0.10 0.00 0.00 179.97 180.15 1u4s h ASP 110 N 0.02 0.27 0.53 0.08 3.45 -2.02 -2.60 116.42 116.16 1u4s h ASP 110 Ca 0.32 -0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.76 1u4s h ASP 110 Cb 0.51 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.21 1u4s h ASP 110 CO -0.65 0.19 -0.12 0.44 -1.57 0.00 0.00 179.24 177.52 1u4s h ASP 111 N 0.32 0.00 1.58 6.45 3.32 -1.67 -2.10 116.42 124.31 1u4s h ASP 111 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1u4s h ASP 111 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1u4s h ASP 111 CO -0.03 0.12 0.00 -0.07 -1.72 0.00 0.00 179.24 177.54 1u4s h LEU 112 N 0.00 0.00 -0.15 1.55 3.38 -1.48 -3.38 115.31 115.23 1u4s h LEU 112 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1u4s h LEU 112 Cb 0.42 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1u4s h LEU 112 CO 0.02 0.00 -0.32 -0.07 0.09 0.00 0.00 178.44 178.15 1u4s h LEU 113 N 0.00 -1.01 -1.17 1.67 3.38 -1.46 -0.20 115.31 116.52 1u4s h LEU 113 Ca 0.00 0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1u4s h LEU 113 Cb 0.79 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1u4s h LEU 113 CO 0.00 -0.36 -0.40 1.55 0.09 0.00 0.00 178.44 179.32 1u4s h PRO 114 N -0.39 0.00 -0.42 1.13 0.13 -1.72 -1.32 132.00 129.41 1u4s h PRO 114 Ca 0.10 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1u4s h PRO 114 Cb 0.55 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 1u4s h PRO 114 CO -0.36 0.40 0.07 -0.07 -0.23 0.00 0.00 178.00 177.81 1u4s h LEU 115 N 0.00 0.66 -0.53 1.56 4.07 -1.64 -2.21 115.31 117.22 1u4s h LEU 115 Ca -0.00 -0.26 -0.15 0.00 0.08 0.00 0.00 57.88 57.55 1u4s h LEU 115 Cb 0.74 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 1u4s h LEU 115 CO 0.05 0.75 -0.72 0.78 -1.08 0.00 0.00 178.44 178.22 1u4s h ASN 116 N 0.55 0.00 -0.44 -0.43 2.35 -0.82 -2.69 115.58 114.09 1u4s h ASN 116 Ca 0.13 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 1u4s h ASN 116 Cb 0.37 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 1u4s h ASN 116 CO 0.01 0.72 0.15 -1.13 -1.65 0.00 0.00 177.43 175.53 1u4s h ASN 117 N 0.00 0.15 -0.60 5.81 -1.24 -1.12 -0.61 115.58 117.97 1u4s h ASN 117 Ca -0.01 0.05 0.07 0.00 0.71 0.00 0.00 56.30 57.13 1u4s h ASN 117 Cb 1.29 0.04 -0.06 0.00 0.73 0.00 0.00 38.32 40.33 1u4s h ASN 117 CO 0.09 0.12 0.29 0.50 -1.29 0.00 0.00 177.43 177.14 1u4s h LYS 118 N 0.31 0.51 -0.80 6.67 3.64 -1.21 -0.19 116.57 125.50 1u4s h LYS 118 Ca 0.21 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1u4s h LYS 118 Cb 0.21 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1u4s h LYS 118 CO -0.22 0.34 0.53 0.82 -2.27 0.00 0.00 179.45 178.64 1u4s h ILE 119 N 0.53 1.20 -0.59 2.00 2.04 -1.10 -1.35 117.51 120.25 1u4s h ILE 119 Ca 0.28 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 1u4s h ILE 119 Cb 0.25 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1u4s h ILE 119 CO -0.22 0.20 0.05 0.24 0.00 0.00 0.00 178.15 178.42 1u4s h MET 120 N 1.07 0.97 0.11 2.37 2.86 -0.10 -0.58 114.93 121.63 1u4s h MET 120 Ca 0.29 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1u4s h MET 120 Cb -0.11 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.43 1u4s h MET 120 CO -0.07 0.93 -0.05 0.82 1.06 0.00 0.00 176.91 179.60 1u4s h ILE 121 N 0.91 0.91 -0.71 -1.22 2.04 -0.80 0.21 117.51 118.83 1u4s h ILE 121 Ca 0.18 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 1u4s h ILE 121 Cb 0.46 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1u4s h ILE 121 CO 0.02 0.02 0.35 -0.08 0.00 0.00 0.00 178.15 178.45 1u4s h GLU 122 N -0.18 1.02 -0.35 2.37 4.81 -0.92 -1.44 114.58 119.89 1u4s h GLU 122 Ca -0.02 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 58.96 1u4s h GLU 122 Cb 0.14 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1u4s h GLU 122 CO 0.03 0.80 -0.21 0.82 -0.73 0.00 0.00 179.01 179.71 1u4s h ILE 123 N 1.00 1.29 -0.70 2.32 2.04 -0.93 -2.92 117.51 119.60 1u4s h ILE 123 Ca 0.25 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.78 1u4s h ILE 123 Cb 0.11 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1u4s h ILE 123 CO -0.03 0.44 0.44 1.23 0.00 0.00 0.00 178.15 180.23 1u4s h GLY 124 N 0.54 1.01 0.17 5.37 0.00 -0.41 -0.44 103.07 109.32 1u4s h GLY 124 Ca 0.07 -0.33 0.09 0.00 0.00 0.00 0.00 47.33 47.16 1u4s h GLY 124 CO 0.06 0.28 -0.06 -1.33 0.00 0.00 0.00 176.54 175.49 1u4s h GLY 125 N 0.86 0.38 1.58 4.60 0.00 -1.20 -0.44 103.07 108.85 1u4s h GLY 125 Ca 0.28 0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.63 1u4s h GLY 125 CO -0.11 -0.15 -0.23 0.45 0.00 0.00 0.00 176.54 176.50 1u4s h HIS 126 N 0.04 0.55 -0.33 5.60 -0.00 -1.15 -1.97 115.15 117.89 1u4s h HIS 126 Ca 0.22 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 60.44 1u4s h HIS 126 Cb 0.33 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1u4s h HIS 126 CO -0.35 0.69 0.04 0.82 -0.00 0.00 0.00 177.93 179.14 1u4s h ILE 127 N 0.44 1.24 -0.92 2.45 2.04 -0.82 0.23 117.51 122.17 1u4s h ILE 127 Ca 0.07 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1u4s h ILE 127 Cb 0.65 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1u4s h ILE 127 CO 0.05 0.28 0.58 0.50 0.00 0.00 0.00 178.15 179.56 1u4s h LYS 128 N 0.37 1.22 -0.02 2.37 3.64 -0.93 -0.52 116.57 122.71 1u4s h LYS 128 Ca 0.10 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1u4s h LYS 128 Cb 0.37 -0.27 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1u4s h LYS 128 CO 0.01 0.84 -0.33 0.87 -2.27 0.00 0.00 179.45 178.56 1u4s h LYS 129 N 1.25 0.26 0.01 1.90 1.57 -1.21 -3.38 116.57 116.98 1u4s h LYS 129 Ca 0.33 -0.26 -0.35 0.00 -1.87 0.00 0.00 60.65 58.50 1u4s h LYS 129 Cb -0.10 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 1u4s h LYS 129 CO -0.07 0.94 -2.21 0.09 -0.57 0.00 0.00 179.45 177.64 1u4s n ASN 130 N -4.43 0.73 -2.95 0.86 3.02 0.78 -4.75 115.26 108.51 1u4s n ASN 130 Ca -0.09 0.10 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 1u4s n ASN 130 Cb 0.53 0.35 0.01 0.00 -0.61 0.00 0.00 39.78 40.06 1u4s n ASN 130 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u4s h PRO 132 N 3.57 0.00 -0.25 0.00 0.13 -1.62 -1.92 132.00 131.91 1u4s h PRO 132 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1u4s h PRO 132 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1u4s h PRO 132 CO 0.35 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.21 1u4s n ASN 132 N -2.91 2.71 -4.76 1.44 5.03 -1.26 -4.79 115.26 110.71 1u4s n ASN 132 Ca -0.01 -1.88 -0.37 0.00 0.87 0.00 0.00 54.58 53.19 1u4s n ASN 132 Cb 0.19 -0.15 0.01 0.00 -1.02 0.00 0.00 39.78 38.81 1u4s n ASN 132 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1u4s s ALA 133 N -1.69 2.89 -0.13 5.41 0.00 -0.72 -4.98 121.76 122.54 1u4s s ALA 133 Ca 0.35 1.10 -0.22 0.00 0.00 0.00 0.00 51.96 53.19 1u4s s ALA 133 Cb 0.21 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1u4s s ALA 133 CO 0.30 -0.97 0.65 0.12 0.00 0.00 0.00 175.76 175.86 1u4s s PHE 134 N -1.45 3.48 -0.08 0.00 5.36 -0.56 -4.87 117.98 119.85 1u4s s PHE 134 Ca 0.68 1.07 0.03 0.00 -0.96 0.00 0.00 56.93 57.75 1u4s s PHE 134 Cb -0.33 -2.78 -0.02 0.00 -0.34 0.00 0.00 43.02 39.55 1u4s s PHE 134 CO 0.40 -0.03 -0.17 0.42 -1.46 0.00 0.00 175.22 174.38 1u4s s ILE 135 N 1.31 2.71 -0.12 3.12 -1.09 0.25 -0.89 121.20 126.49 1u4s s ILE 135 Ca 0.32 -0.82 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1u4s s ILE 135 Cb -0.16 -2.07 0.02 0.00 -1.58 0.00 0.00 42.46 38.66 1u4s s ILE 135 CO 0.13 0.56 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.62 1u4s s ILE 136 N -0.11 1.53 -0.13 2.92 1.01 -0.34 -0.88 121.20 125.20 1u4s s ILE 136 Ca -0.03 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1u4s s ILE 136 Cb -0.14 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1u4s s ILE 136 CO 0.04 0.45 0.04 -0.69 0.00 0.00 0.00 174.94 174.77 1u4s s VAL 137 N 1.19 4.60 -0.02 2.92 1.01 0.08 -1.11 120.40 129.07 1u4s s VAL 137 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1u4s s VAL 137 Cb -0.14 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1u4s s VAL 137 CO -0.05 0.55 -0.00 0.52 0.00 0.00 0.00 175.10 176.11 1u4s n VAL 138 N 2.74 0.11 -1.62 2.92 0.31 0.17 -0.90 118.33 122.07 1u4s n VAL 138 Ca -0.18 -0.06 -0.60 0.00 -0.01 0.00 0.00 64.34 63.49 1u4s n VAL 138 Cb 0.53 -0.81 -0.08 0.00 -0.91 0.00 0.00 33.84 32.57 1u4s n VAL 138 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1u4s n THR 139 N -2.25 0.04 -3.36 2.52 -1.04 -1.16 -4.55 114.28 104.48 1u4s n THR 139 Ca -0.03 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.67 1u4s n THR 139 Cb 0.54 -0.43 -0.04 0.00 -1.82 0.00 0.00 70.33 68.58 1u4s n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1u4s s ASN 140 N 1.42 6.52 -0.11 8.00 0.01 -1.26 -2.87 114.94 126.65 1u4s s ASN 140 Ca 0.95 0.81 -0.30 0.00 -0.71 0.00 0.00 52.86 53.62 1u4s s ASN 140 Cb -1.26 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 38.19 1u4s s ASN 140 CO 0.64 -0.14 1.23 -2.16 -1.51 0.00 0.00 177.10 175.16 1u4s s PRO 141 N -3.23 4.29 0.25 -0.60 0.04 -1.26 -4.95 135.00 129.54 1u4s s PRO 141 Ca 0.45 1.67 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 1u4s s PRO 141 Cb -0.11 -3.66 0.27 0.00 0.04 0.00 0.00 34.50 31.03 1u4s s PRO 141 CO 0.26 -0.58 1.92 -0.24 0.04 0.00 0.00 177.00 178.40 1u4s h VAL 142 N 5.26 1.26 0.00 -0.36 3.04 -1.76 -1.10 116.25 122.58 1u4s h VAL 142 Ca -0.30 -0.49 -0.06 0.00 -1.01 0.00 0.00 66.70 64.84 1u4s h VAL 142 Cb 1.13 -0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.23 1u4s h VAL 142 CO 0.93 0.25 -0.28 0.44 -1.01 0.00 0.00 177.57 177.90 1u4s h ASP 143 N 1.33 0.00 0.12 3.17 3.32 -1.90 -0.11 116.42 122.36 1u4s h ASP 143 Ca 0.36 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 1u4s h ASP 143 Cb -0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1u4s h ASP 143 CO -0.07 0.28 -0.06 0.58 -1.72 0.00 0.00 179.24 178.25 1u4s h VAL 144 N 0.00 0.79 -0.20 -1.35 2.07 -1.68 -3.34 116.25 112.53 1u4s h VAL 144 Ca -0.00 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 1u4s h VAL 144 Cb 0.65 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1u4s h VAL 144 CO 0.04 0.23 -0.05 0.24 0.02 0.00 0.00 177.57 178.04 1u4s h MET 145 N -0.93 0.31 -0.45 1.57 2.86 -0.85 -2.26 114.93 115.19 1u4s h MET 145 Ca -0.02 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 1u4s h MET 145 Cb 0.50 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1u4s h MET 145 CO 0.03 0.38 -0.22 -0.24 1.06 0.00 0.00 176.91 177.92 1u4s h VAL 146 N 0.30 1.27 -0.31 -2.22 3.04 -1.21 -0.51 116.25 116.61 1u4s h VAL 146 Ca 0.07 -1.37 -0.18 0.00 -1.01 0.00 0.00 66.70 64.21 1u4s h VAL 146 Cb 0.29 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1u4s h VAL 146 CO 0.01 0.47 -0.50 -0.61 -1.01 0.00 0.00 177.57 175.93 1u4s h GLN 147 N 0.79 0.88 -0.64 4.17 4.15 -1.54 -0.25 115.11 122.66 1u4s h GLN 147 Ca 0.10 -0.53 0.01 0.00 0.77 0.00 0.00 58.65 59.01 1u4s h GLN 147 Cb 0.77 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 1u4s h GLN 147 CO 0.06 1.17 0.42 -0.07 -1.93 0.00 0.00 178.83 178.48 1u4s h LEU 148 N 0.69 0.71 -0.55 -2.39 3.38 -1.28 -0.60 115.31 115.26 1u4s h LEU 148 Ca 0.03 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1u4s h LEU 148 Cb 1.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1u4s h LEU 148 CO 0.11 0.51 -0.24 0.25 0.09 0.00 0.00 178.44 179.16 1u4s h LEU 149 N 0.84 0.94 -0.33 1.67 5.85 -0.97 -1.30 115.31 122.01 1u4s h LEU 149 Ca 0.24 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.67 1u4s h LEU 149 Cb -0.06 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.65 1u4s h LEU 149 CO -0.07 1.13 -0.08 -0.74 -0.34 0.00 0.00 178.44 178.34 1u4s h HIS 150 N 0.78 -0.16 -0.70 1.25 2.76 -0.54 0.11 115.15 118.65 1u4s h HIS 150 Ca 0.10 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1u4s h HIS 150 Cb 0.80 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.85 1u4s h HIS 150 CO 0.05 -0.13 0.21 1.96 -1.30 0.00 0.00 177.93 178.71 1u4s h GLN 151 N 0.01 1.10 0.00 5.26 4.20 -0.82 -2.49 115.11 122.36 1u4s h GLN 151 Ca 0.16 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1u4s h GLN 151 Cb 0.24 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1u4s h GLN 151 CO -0.33 0.95 -0.69 0.45 -0.67 0.00 0.00 178.83 178.54 1u4s h HIS 152 N 1.04 0.00 0.00 2.96 3.86 -0.97 -3.31 115.15 118.73 1u4s h HIS 152 Ca 0.23 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.36 1u4s h HIS 152 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1u4s h HIS 152 CO 0.02 0.00 -1.17 0.66 0.86 0.00 0.00 177.93 178.30 1u4s h SER 153 N 0.00 0.00 0.00 2.45 4.64 -0.78 -3.29 113.55 116.57 1u4s h SER 153 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u4s h SER 153 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1u4s h SER 153 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 1u4s n GLY 154 N 1.27 0.31 3.80 -0.77 0.00 -0.94 -3.95 105.19 104.92 1u4s n GLY 154 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1u4s n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u4s s VAL 155 N -1.66 3.85 0.61 1.61 -7.23 -1.25 -5.00 120.40 111.33 1u4s s VAL 155 Ca 0.00 0.89 -0.19 0.00 -1.81 0.00 0.00 61.98 60.87 1u4s s VAL 155 Cb 0.00 -3.40 -0.02 0.00 0.56 0.00 0.00 36.38 33.51 1u4s s VAL 155 CO 0.00 -0.50 1.30 -2.65 -0.31 0.00 0.00 175.10 172.94 1u4s n PRO 156 N -1.96 1.29 0.12 4.82 -0.02 -1.26 -4.89 135.00 133.11 1u4s n PRO 156 Ca 0.09 0.49 0.18 0.00 -2.02 0.00 0.00 63.50 62.24 1u4s n PRO 156 Cb 0.53 -2.53 0.75 0.00 -0.02 0.00 0.00 33.50 32.23 1u4s n PRO 156 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1u4s h LYS 157 N 0.82 0.00 -0.04 -0.52 2.10 -1.94 -1.13 116.57 115.86 1u4s h LYS 157 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1u4s h LYS 157 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1u4s h LYS 157 CO 0.54 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.26 1u4s n ASN 158 N -4.04 0.65 -0.04 7.07 6.94 -1.26 -3.95 115.26 120.63 1u4s n ASN 158 Ca 0.05 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.22 1u4s n ASN 158 Cb 0.45 -0.02 0.01 0.00 -2.36 0.00 0.00 39.78 37.85 1u4s n ASN 158 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1u4s n LYS 159 N -0.42 2.92 -3.79 -3.83 4.76 -0.43 -0.54 118.16 116.84 1u4s n LYS 159 Ca 0.18 -1.52 -0.13 0.00 -2.87 0.00 0.00 58.31 53.97 1u4s n LYS 159 Cb 0.19 -1.02 -0.14 0.00 -1.84 0.00 0.00 35.03 32.22 1u4s n LYS 159 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1u4s s ILE 160 N -0.98 -0.03 0.14 -0.18 2.07 -1.24 -0.58 121.20 120.38 1u4s s ILE 160 Ca 0.01 0.11 -0.04 0.00 -1.41 0.00 0.00 60.65 59.32 1u4s s ILE 160 Cb 0.01 -0.17 -0.03 0.00 0.13 0.00 0.00 42.46 42.40 1u4s s ILE 160 CO 0.01 0.05 0.14 0.27 -1.91 0.00 0.00 174.94 173.50 1u4s s ILE 161 N 0.68 0.10 0.04 2.00 -4.36 -0.06 -4.77 121.20 114.83 1u4s s ILE 161 Ca -0.05 -1.67 0.07 0.00 -0.26 0.00 0.00 60.65 58.74 1u4s s ILE 161 Cb -0.07 -1.89 -0.03 0.00 1.25 0.00 0.00 42.46 41.71 1u4s s ILE 161 CO -0.03 -0.45 -0.19 -0.83 0.24 0.00 0.00 174.94 173.68 1u4s s GLY 162 N -3.00 1.54 0.06 6.27 0.00 -0.38 -0.74 107.32 111.07 1u4s s GLY 162 Ca 0.19 -1.20 -0.31 0.00 0.00 0.00 0.00 44.72 43.41 1u4s s GLY 162 CO -0.00 -1.08 1.40 -2.27 0.00 0.00 0.00 173.10 171.14 1u4s s LEU 163 N -1.37 4.35 0.00 0.66 2.96 -0.07 -1.59 118.68 123.61 1u4s s LEU 163 Ca 0.14 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 1u4s s LEU 163 Cb -0.10 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1u4s s LEU 163 CO 0.04 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 175.00 1u4s n GLY 164 N 3.57 -1.83 0.34 7.98 0.00 -1.26 -4.84 105.19 109.14 1u4s n GLY 164 Ca 0.12 0.55 0.04 0.00 0.00 0.00 0.00 46.02 46.73 1u4s n GLY 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u4s h GLY 165 N 0.00 0.86 0.93 -0.02 0.00 -1.74 -0.88 103.07 102.22 1u4s h GLY 165 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.04 1u4s h GLY 165 CO 0.00 0.27 0.26 -2.08 0.00 0.00 0.00 176.54 175.00 1u4s h VAL 166 N 0.77 1.07 0.05 4.60 2.07 -1.72 0.75 116.25 123.84 1u4s h VAL 166 Ca 0.25 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1u4s h VAL 166 Cb 0.03 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1u4s h VAL 166 CO -0.06 0.10 -0.02 0.25 0.02 0.00 0.00 177.57 177.85 1u4s h LEU 167 N 0.54 -0.05 -0.44 2.57 5.85 -1.62 -2.10 115.31 120.06 1u4s h LEU 167 Ca 0.17 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 58.45 1u4s h LEU 167 Cb -0.01 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1u4s h LEU 167 CO -0.06 0.46 0.22 0.44 -0.34 0.00 0.00 178.44 179.15 1u4s h ASP 168 N -0.59 0.31 0.49 1.25 3.45 -1.20 -2.31 116.42 117.82 1u4s h ASP 168 Ca -0.01 0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 1u4s h ASP 168 Cb 0.52 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.25 1u4s h ASP 168 CO 0.01 0.22 -0.27 0.71 -1.57 0.00 0.00 179.24 178.34 1u4s h THR 169 N 0.43 0.90 -0.89 0.35 1.35 -0.91 -2.64 112.91 111.50 1u4s h THR 169 Ca 0.19 -1.03 0.05 0.00 -0.55 0.00 0.00 66.41 65.06 1u4s h THR 169 Cb 0.10 1.61 -0.05 0.00 -1.73 0.00 0.00 68.15 68.08 1u4s h THR 169 CO -0.14 0.26 0.58 0.77 -0.25 0.00 0.00 175.52 176.75 1u4s h SER 170 N 0.00 0.93 0.01 5.36 4.64 -0.79 0.22 113.55 123.93 1u4s h SER 170 Ca -0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1u4s h SER 170 Cb 0.59 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1u4s h SER 170 CO 0.03 0.62 -0.00 0.03 -0.87 0.00 0.00 176.83 176.64 1u4s h ARG 171 N 1.07 -0.01 -0.10 4.77 -0.00 -1.41 -0.38 114.38 118.32 1u4s h ARG 171 Ca 0.36 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.84 1u4s h ARG 171 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.06 1u4s h ARG 171 CO -0.12 0.30 0.05 1.25 0.00 0.00 0.00 179.97 181.45 1u4s h LEU 172 N -0.33 0.13 -0.26 3.04 5.85 -1.35 0.16 115.31 122.57 1u4s h LEU 172 Ca -0.00 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1u4s h LEU 172 Cb 0.32 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1u4s h LEU 172 CO 0.00 0.19 0.01 0.11 -0.34 0.00 0.00 178.44 178.42 1u4s h LYS 173 N 0.06 0.09 -0.15 1.25 1.57 -0.61 -1.89 116.57 116.89 1u4s h LYS 173 Ca 0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1u4s h LYS 173 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1u4s h LYS 173 CO -0.01 0.06 0.09 -0.92 -0.57 0.00 0.00 179.45 178.11 1u4s h TYR 174 N 0.09 0.17 -0.70 -1.35 3.20 -0.76 -1.46 116.97 116.17 1u4s h TYR 174 Ca 0.12 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1u4s h TYR 174 Cb 0.15 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1u4s h TYR 174 CO -0.19 0.11 0.33 1.88 -1.64 0.00 0.00 178.16 178.64 1u4s h TYR 175 N 0.19 1.01 -0.70 -3.82 0.99 -0.73 -1.84 116.97 112.07 1u4s h TYR 175 Ca 0.06 -0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 1u4s h TYR 175 Cb -0.01 -0.31 -0.03 0.00 1.00 0.00 0.00 36.73 37.38 1u4s h TYR 175 CO -0.07 0.76 0.20 0.82 -0.00 0.00 0.00 178.16 179.86 1u4s h ILE 176 N 0.98 1.26 0.00 -2.88 2.04 -1.29 -2.67 117.51 114.95 1u4s h ILE 176 Ca 0.24 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 1u4s h ILE 176 Cb 0.13 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1u4s h ILE 176 CO -0.03 0.36 -0.24 0.77 0.00 0.00 0.00 178.15 179.00 1u4s h SER 177 N 1.04 0.00 0.18 1.72 4.64 -0.75 -0.21 113.55 120.17 1u4s h SER 177 Ca 0.22 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.30 1u4s h SER 177 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1u4s h SER 177 CO -0.00 0.24 -1.00 1.56 -0.87 0.00 0.00 176.83 176.76 1u4s h GLN 178 N 0.00 0.55 -0.55 4.77 1.08 -1.03 -0.55 115.11 119.38 1u4s h GLN 178 Ca -0.00 -0.60 -0.04 0.00 -1.45 0.00 0.00 58.65 56.56 1u4s h GLN 178 Cb 0.45 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 1u4s h GLN 178 CO 0.03 1.22 0.18 -0.22 -0.95 0.00 0.00 178.83 179.09 1u4s h LYS 179 N 0.31 0.85 -0.00 1.46 1.63 -1.13 -3.15 116.57 116.54 1u4s h LYS 179 Ca -0.11 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1u4s h LYS 179 Cb 1.64 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.15 1u4s h LYS 179 CO 0.18 0.77 -0.17 1.28 -3.45 0.00 0.00 179.45 178.06 1u4s n LEU 180 N -4.46 0.64 -3.67 5.20 4.77 -0.14 -4.96 117.00 114.38 1u4s n LEU 180 Ca 0.02 -0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.72 1u4s n LEU 180 Cb 0.20 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1u4s n LEU 180 CO 0.39 0.12 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.36 1u4s n ASN 181 N -0.89 -1.74 -4.41 -1.43 5.15 -0.29 -5.03 115.26 106.62 1u4s n ASN 181 Ca 0.13 -0.78 -0.21 0.00 -0.60 0.00 0.00 54.58 53.13 1u4s n ASN 181 Cb 0.30 -4.24 -0.10 0.00 -0.53 0.00 0.00 39.78 35.22 1u4s n ASN 181 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1u4s s VAL 182 N -3.58 1.69 -0.04 3.44 -7.23 -0.77 -5.06 120.40 108.85 1u4s s VAL 182 Ca 0.07 -2.16 -0.36 0.00 -1.81 0.00 0.00 61.98 57.73 1u4s s VAL 182 Cb -0.04 -2.33 -0.14 0.00 0.56 0.00 0.00 36.38 34.43 1u4s s VAL 182 CO 0.80 -0.38 1.68 0.00 -0.31 0.00 0.00 175.10 176.89 1u4s h PRO 184 N 7.14 0.32 0.00 0.00 0.11 -1.90 0.39 132.00 138.05 1u4s h PRO 184 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1u4s h PRO 184 Cb 1.29 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1u4s h PRO 184 CO 0.91 0.21 -0.06 -0.09 -0.21 0.00 0.00 178.00 178.75 1u4s h ARG 185 N 0.33 0.00 0.00 1.05 9.65 -1.92 -2.40 114.38 121.09 1u4s h ARG 185 Ca 0.58 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.46 1u4s h ARG 185 Cb 1.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1u4s h ARG 185 CO -0.58 0.06 0.00 -0.25 2.80 0.00 0.00 179.97 182.00 1u4s n ASP 186 N -3.67 0.35 -4.70 -3.80 8.00 0.13 -4.54 116.55 108.30 1u4s n ASP 186 Ca -0.02 0.57 -0.39 0.00 0.71 0.00 0.00 54.79 55.65 1u4s n ASP 186 Cb 0.17 -0.65 -0.05 0.00 -0.02 0.00 0.00 41.12 40.56 1u4s n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u4s s VAL 187 N -3.12 5.10 0.13 2.53 1.01 -0.90 -4.25 120.40 120.89 1u4s s VAL 187 Ca 0.08 1.18 0.10 0.00 0.00 0.00 0.00 61.98 63.34 1u4s s VAL 187 Cb 0.11 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1u4s s VAL 187 CO 0.40 0.25 -0.24 0.21 0.00 0.00 0.00 175.10 175.73 1u4s s ASN 188 N 0.82 3.52 -0.07 3.32 3.84 -0.41 -4.85 114.94 121.12 1u4s s ASN 188 Ca 0.31 -0.68 -0.29 0.00 0.21 0.00 0.00 52.86 52.40 1u4s s ASN 188 Cb -0.16 -0.34 0.10 0.00 -0.55 0.00 0.00 41.25 40.30 1u4s s ASN 188 CO 0.13 0.18 0.85 0.00 -2.79 0.00 0.00 177.10 175.46 1u4s s ALA 189 N -1.09 -1.83 -0.11 1.71 0.00 -1.26 -0.94 121.76 118.24 1u4s s ALA 189 Ca 0.15 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.43 1u4s s ALA 189 Cb -0.10 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1u4s s ALA 189 CO 0.07 -0.45 -0.19 -1.01 0.00 0.00 0.00 175.76 174.18 1u4s s HIS 190 N -1.79 2.28 -0.10 0.00 3.76 -1.25 -4.92 115.29 113.26 1u4s s HIS 190 Ca -0.03 -1.04 0.02 0.00 -0.15 0.00 0.00 55.06 53.86 1u4s s HIS 190 Cb -0.00 -1.58 0.01 0.00 1.11 0.00 0.00 32.58 32.12 1u4s s HIS 190 CO 0.01 -0.48 -0.15 0.42 -0.85 0.00 0.00 174.74 173.69 1u4s s ILE 191 N 0.73 1.43 0.42 0.60 1.01 -1.26 -2.04 121.20 122.09 1u4s s ILE 191 Ca -0.11 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 59.98 1u4s s ILE 191 Cb -0.16 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1u4s s ILE 191 CO 0.02 0.43 0.15 1.33 0.00 0.00 0.00 174.94 176.87 1u4s n VAL 192 N 4.18 0.00 0.00 2.92 0.24 -0.33 -4.60 118.33 120.74 1u4s n VAL 192 Ca -0.19 -2.43 0.00 0.00 -2.04 0.00 0.00 64.34 59.67 1u4s n VAL 192 Cb 0.51 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 1u4s n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u4s n GLY 193 N -0.88 2.05 3.28 7.63 0.00 -0.16 -1.16 105.19 115.95 1u4s n GLY 193 Ca -0.06 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 1u4s n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u4s s ALA 194 N -0.45 -0.48 0.63 4.61 0.00 -1.26 -1.48 121.76 123.32 1u4s s ALA 194 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.42 1u4s s ALA 194 Cb 0.00 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 1u4s s ALA 194 CO 0.00 -0.59 1.04 -1.58 0.00 0.00 0.00 175.76 174.62 1u4s s HIS 195 N -3.86 3.58 0.00 0.00 2.46 -1.26 -3.69 115.29 112.52 1u4s s HIS 195 Ca 0.06 1.28 0.00 0.00 0.47 0.00 0.00 55.06 56.87 1u4s s HIS 195 Cb 0.03 -2.76 0.00 0.00 -0.13 0.00 0.00 32.58 29.73 1u4s s HIS 195 CO -0.09 -0.76 0.00 0.41 -2.47 0.00 0.00 174.74 171.83 1u4s n GLY 196 N -2.72 -2.15 0.33 1.59 0.00 -1.26 -4.56 105.19 96.42 1u4s n GLY 196 Ca 0.06 -1.94 0.22 0.00 0.00 0.00 0.00 46.02 44.36 1u4s n GLY 196 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1u4s h ASN 197 N 0.00 0.00 -0.49 1.61 2.35 -1.92 -1.51 115.58 115.62 1u4s h ASN 197 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u4s h ASN 197 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1u4s h ASN 197 CO 0.00 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.07 1u4s n LYS 198 N -3.15 2.31 -1.67 0.81 4.76 -1.26 -4.97 118.16 114.99 1u4s n LYS 198 Ca -0.03 -1.84 -0.43 0.00 -2.87 0.00 0.00 58.31 53.14 1u4s n LYS 198 Cb 0.10 -1.45 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 1u4s n LYS 198 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u4s n MET 199 N 0.91 1.94 -3.49 1.97 0.00 -0.57 -4.48 117.12 113.40 1u4s n MET 199 Ca 0.17 0.68 -0.43 0.00 0.00 0.00 0.00 57.70 58.12 1u4s n MET 199 Cb 0.47 -2.21 -0.09 0.00 0.00 0.00 0.00 33.22 31.39 1u4s n MET 199 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1u4s s VAL 200 N -1.06 4.76 -0.18 3.17 1.01 -0.31 -4.95 120.40 122.85 1u4s s VAL 200 Ca 0.57 -1.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1u4s s VAL 200 Cb -0.60 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 1u4s s VAL 200 CO 0.61 -0.56 0.81 -0.76 0.00 0.00 0.00 175.10 175.20 1u4s s LEU 201 N 1.54 4.17 -0.63 3.92 1.02 -1.26 -1.19 118.68 126.24 1u4s s LEU 201 Ca 0.04 1.13 -0.09 0.00 0.02 0.00 0.00 54.13 55.22 1u4s s LEU 201 Cb -0.24 -3.19 0.16 0.00 0.02 0.00 0.00 46.19 42.94 1u4s s LEU 201 CO 0.04 -0.39 0.52 -0.76 0.02 0.00 0.00 176.35 175.78 1u4s s LEU 202 N 2.16 5.94 0.28 1.79 1.43 -0.86 -4.93 118.68 124.48 1u4s s LEU 202 Ca 0.37 -2.42 0.01 0.00 -1.03 0.00 0.00 54.13 51.06 1u4s s LEU 202 Cb -0.16 -2.04 0.60 0.00 0.03 0.00 0.00 46.19 44.61 1u4s s LEU 202 CO 0.12 -0.57 1.77 0.50 0.23 0.00 0.00 176.35 178.40 1u4s h LYS 203 N 7.86 0.69 0.00 1.70 3.64 -1.95 -1.55 116.57 126.96 1u4s h LYS 203 Ca -0.06 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1u4s h LYS 203 Cb 1.03 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1u4s h LYS 203 CO 0.80 0.45 -0.05 -0.09 -2.27 0.00 0.00 179.45 178.29 1u4s h ARG 204 N 0.71 0.00 -0.82 1.90 2.43 -1.98 -2.81 114.38 113.80 1u4s h ARG 204 Ca 0.50 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.43 1u4s h ARG 204 Cb 0.71 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.12 1u4s h ARG 204 CO -0.36 0.05 0.31 0.66 -1.51 0.00 0.00 179.97 179.11 1u4s n TYR 205 N -4.09 2.31 -3.63 2.20 4.02 -0.58 -4.93 117.16 112.46 1u4s n TYR 205 Ca -0.03 -1.19 -0.36 0.00 -0.01 0.00 0.00 57.90 56.30 1u4s n TYR 205 Cb 0.13 -0.68 -0.07 0.00 -0.02 0.00 0.00 39.34 38.70 1u4s n TYR 205 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1u4s s ILE 206 N -2.75 5.33 0.15 -0.72 1.01 -1.06 -3.92 121.20 119.24 1u4s s ILE 206 Ca 0.49 0.45 0.06 0.00 0.00 0.00 0.00 60.65 61.65 1u4s s ILE 206 Cb 0.40 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1u4s s ILE 206 CO 0.12 0.46 -0.13 0.42 0.00 0.00 0.00 174.94 175.80 1u4s s THR 207 N 0.02 1.42 -0.27 2.92 -4.23 -0.11 -1.50 115.64 113.89 1u4s s THR 207 Ca 0.15 -1.95 0.14 0.00 -1.18 0.00 0.00 61.69 58.85 1u4s s THR 207 Cb -0.13 -1.77 0.48 0.00 1.34 0.00 0.00 72.50 72.42 1u4s s THR 207 CO 0.04 -0.54 1.16 0.52 -0.54 0.00 0.00 174.62 175.25 1u4s n VAL 208 N 0.09 1.98 0.00 2.29 0.31 -1.26 -1.29 118.33 120.45 1u4s n VAL 208 Ca -0.12 -3.62 0.00 0.00 -0.01 0.00 0.00 64.34 60.59 1u4s n VAL 208 Cb 0.59 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 1u4s n VAL 208 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u4s n GLY 209 N -0.65 0.00 3.79 2.92 0.00 -1.26 -4.76 105.19 105.23 1u4s n GLY 209 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 1u4s n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u4s s ILE 209 N 0.00 5.38 0.34 -0.61 1.01 -1.26 -5.04 121.20 121.03 1u4s s ILE 209 Ca 0.00 0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.71 1u4s s ILE 209 Cb 0.00 -3.51 -0.12 0.00 0.01 0.00 0.00 42.46 38.84 1u4s s ILE 209 CO 0.00 0.50 1.35 -2.65 0.00 0.00 0.00 174.94 174.14 1u4s n PRO 209 N 2.84 2.27 0.15 2.79 -0.02 -1.26 -4.37 135.00 137.41 1u4s n PRO 209 Ca -0.16 0.80 0.07 0.00 -2.02 0.00 0.00 63.50 62.18 1u4s n PRO 209 Cb 0.53 -2.42 0.55 0.00 -0.02 0.00 0.00 33.50 32.14 1u4s n PRO 209 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1u4s h LEU 210 N 2.78 0.19 -1.68 2.45 5.85 -1.60 -2.19 115.31 121.11 1u4s h LEU 210 Ca -0.47 -0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.41 1u4s h LEU 210 Cb 1.27 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1u4s h LEU 210 CO 0.64 0.14 0.50 -0.61 -0.34 0.00 0.00 178.44 178.77 1u4s h GLN 210 N 0.22 0.30 -0.92 1.25 5.75 -1.89 0.41 115.11 120.24 1u4s h GLN 210 Ca 0.07 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1u4s h GLN 210 Cb -0.00 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 1u4s h GLN 210 CO -0.01 0.20 0.61 0.93 -2.65 0.00 0.00 178.83 177.90 1u4s h GLU 211 N 0.31 1.15 0.00 1.69 5.08 -1.76 0.20 114.58 121.25 1u4s h GLU 211 Ca 0.36 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.53 1u4s h GLU 211 Cb 0.96 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1u4s h GLU 211 CO -0.10 0.76 -0.58 0.74 -1.00 0.00 0.00 179.01 178.83 1u4s h PHE 212 N 1.18 0.00 -0.01 4.33 -1.00 -1.08 -1.68 116.94 118.69 1u4s h PHE 212 Ca 0.36 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.13 1u4s h PHE 212 Cb -0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1u4s h PHE 212 CO -0.00 0.58 -0.03 0.82 -1.61 0.00 0.00 178.31 178.08 1u4s h ILE 213 N 0.00 1.47 -0.99 -0.55 2.04 -0.96 0.18 117.51 118.71 1u4s h ILE 213 Ca -0.01 -1.43 0.20 0.00 1.00 0.00 0.00 64.86 64.63 1u4s h ILE 213 Cb 1.09 2.41 -0.10 0.00 -0.74 0.00 0.00 36.82 39.48 1u4s h ILE 213 CO 0.08 0.38 0.62 0.78 0.00 0.00 0.00 178.15 180.00 1u4s h ASN 214 N -0.55 0.68 0.65 1.72 2.35 -0.52 -1.65 115.58 118.26 1u4s h ASN 214 Ca -0.00 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1u4s h ASN 214 Cb 0.63 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1u4s h ASN 214 CO 0.01 0.23 -0.02 0.59 -1.65 0.00 0.00 177.43 176.58 1u4s n ASN 215 N -4.70 0.06 -0.53 5.81 5.03 -0.64 -4.93 115.26 115.36 1u4s n ASN 215 Ca 0.23 -0.04 -0.07 0.00 0.87 0.00 0.00 54.58 55.57 1u4s n ASN 215 Cb 0.63 -0.30 -0.03 0.00 -1.02 0.00 0.00 39.78 39.06 1u4s n ASN 215 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1u4s n LYS 216 N -1.31 -0.48 0.22 3.52 5.02 -0.62 -4.89 118.16 119.61 1u4s n LYS 216 Ca 0.12 0.73 0.11 0.00 -2.02 0.00 0.00 58.31 57.25 1u4s n LYS 216 Cb 0.27 -4.52 0.21 0.00 -0.02 0.00 0.00 35.03 30.97 1u4s n LYS 216 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1u4s h LEU 218 N 0.00 0.00 -7.25 -0.35 3.38 -0.87 -3.44 115.31 106.77 1u4s h LEU 218 Ca -0.14 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1u4s h LEU 218 Cb 0.47 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.99 1u4s h LEU 218 CO 0.21 0.07 -0.15 -0.51 0.09 0.00 0.00 178.44 178.14 1u4s s ILE 219 N -3.23 0.00 0.22 1.22 2.07 -1.15 -4.87 121.20 115.47 1u4s s ILE 219 Ca 0.06 -0.03 0.05 0.00 -1.41 0.00 0.00 60.65 59.32 1u4s s ILE 219 Cb 0.06 -0.67 -0.03 0.00 0.13 0.00 0.00 42.46 41.94 1u4s s ILE 219 CO 0.67 -0.01 0.34 -0.94 -1.91 0.00 0.00 174.94 173.09 1u4s s SER 220 N 0.12 6.31 0.26 4.50 1.04 -1.26 -3.97 113.70 120.70 1u4s s SER 220 Ca -0.01 0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.46 1u4s s SER 220 Cb -0.03 -1.86 0.35 0.00 0.10 0.00 0.00 66.02 64.58 1u4s s SER 220 CO 0.01 -0.05 1.89 0.44 0.98 0.00 0.00 173.24 176.51 1u4s h ASP 221 N 1.35 1.02 -0.50 7.02 3.32 -1.99 -0.31 116.42 126.33 1u4s h ASP 221 Ca -0.51 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.42 1u4s h ASP 221 Cb 1.22 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1u4s h ASP 221 CO 0.62 0.68 -0.16 0.00 -1.72 0.00 0.00 179.24 178.66 1u4s h ALA 222 N 1.42 0.70 -0.20 3.45 0.00 -1.99 -0.49 119.26 122.14 1u4s h ALA 222 Ca 0.40 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1u4s h ALA 222 Cb 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1u4s h ALA 222 CO -0.15 0.65 -0.11 0.93 0.00 0.00 0.00 179.25 180.56 1u4s h GLU 223 N 0.86 -0.09 -0.25 0.00 5.08 -1.90 -2.03 114.58 116.25 1u4s h GLU 223 Ca 0.12 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1u4s h GLU 223 Cb 0.73 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1u4s h GLU 223 CO 0.06 -0.06 0.11 -0.07 -1.00 0.00 0.00 179.01 178.05 1u4s h LEU 225 N -0.10 0.30 -0.91 1.33 3.38 -0.34 -1.03 115.31 117.94 1u4s h LEU 225 Ca 0.11 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1u4s h LEU 225 Cb 0.27 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1u4s h LEU 225 CO -0.27 0.27 0.12 -0.33 0.09 0.00 0.00 178.44 178.32 1u4s h GLU 226 N 0.34 0.92 -0.57 1.13 5.08 -0.78 -0.04 114.58 120.67 1u4s h GLU 226 Ca 0.09 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1u4s h GLU 226 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1u4s h GLU 226 CO -0.01 0.84 -0.04 0.00 -1.00 0.00 0.00 179.01 178.79 1u4s h ALA 227 N 1.25 0.77 -0.58 3.43 0.00 -1.07 -1.90 119.26 121.16 1u4s h ALA 227 Ca 0.19 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1u4s h ALA 227 Cb 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1u4s h ALA 227 CO 0.00 0.63 0.12 0.82 0.00 0.00 0.00 179.25 180.83 1u4s h ILE 228 N 0.91 1.24 -0.24 0.00 2.04 -0.64 -0.50 117.51 120.32 1u4s h ILE 228 Ca 0.16 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1u4s h ILE 228 Cb 0.60 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1u4s h ILE 228 CO 0.04 0.33 0.09 -0.26 0.00 0.00 0.00 178.15 178.35 1u4s h PHE 229 N 0.87 0.36 -0.96 1.37 -1.00 -0.67 -0.09 116.94 116.83 1u4s h PHE 229 Ca 0.19 -0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.95 1u4s h PHE 229 Cb 0.34 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.75 1u4s h PHE 229 CO 0.02 0.39 0.64 -0.44 -1.61 0.00 0.00 178.31 177.31 1u4s h ASP 230 N 0.23 1.10 -0.52 2.17 3.32 -1.22 -1.36 116.42 120.14 1u4s h ASP 230 Ca 0.08 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1u4s h ASP 230 Cb 0.19 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1u4s h ASP 230 CO -0.01 0.80 0.12 -0.09 -1.72 0.00 0.00 179.24 178.34 1u4s h ARG 231 N 1.30 0.89 -0.08 3.56 2.43 -0.77 -1.43 114.38 120.28 1u4s h ARG 231 Ca 0.35 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1u4s h ARG 231 Cb -0.15 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.27 1u4s h ARG 231 CO -0.08 0.81 0.02 1.15 -1.51 0.00 0.00 179.97 180.36 1u4s h THR 232 N 0.85 1.21 -0.74 0.20 2.02 -0.58 -0.36 112.91 115.51 1u4s h THR 232 Ca 0.18 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.73 1u4s h THR 232 Cb 0.33 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1u4s h THR 232 CO 0.00 0.18 0.49 0.58 0.37 0.00 0.00 175.52 177.14 1u4s h VAL 233 N -0.09 1.19 -0.48 3.16 2.07 -1.11 -2.96 116.25 118.03 1u4s h VAL 233 Ca 0.03 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1u4s h VAL 233 Cb 0.27 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1u4s h VAL 233 CO 0.00 0.19 0.00 0.59 0.02 0.00 0.00 177.57 178.37 1u4s n ASN 234 N -4.56 2.75 -0.13 0.57 3.02 -0.55 -4.56 115.26 111.79 1u4s n ASN 234 Ca 0.07 -2.06 -0.06 0.00 -0.03 0.00 0.00 54.58 52.50 1u4s n ASN 234 Cb 0.02 -0.35 0.02 0.00 -0.61 0.00 0.00 39.78 38.86 1u4s n ASN 234 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1u4s h THR 235 N 2.83 1.00 -0.48 3.41 2.02 -0.89 0.51 112.91 121.31 1u4s h THR 235 Ca 0.00 -0.16 0.08 0.00 0.77 0.00 0.00 66.41 67.11 1u4s h THR 235 Cb 0.73 0.50 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 1u4s h THR 235 CO 0.03 0.08 0.09 0.00 0.37 0.00 0.00 175.52 176.09 1u4s h ALA 236 N 1.21 0.53 -0.77 6.16 0.00 -1.84 -0.53 119.26 124.02 1u4s h ALA 236 Ca 0.18 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1u4s h ALA 236 Cb 0.06 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1u4s h ALA 236 CO -0.11 -0.32 0.26 1.25 0.00 0.00 0.00 179.25 180.34 1u4s h LEU 237 N 0.22 1.10 -0.29 0.00 5.85 -1.75 -1.43 115.31 119.02 1u4s h LEU 237 Ca 0.24 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1u4s h LEU 237 Cb 0.32 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1u4s h LEU 237 CO -0.32 1.00 0.19 -0.08 -0.34 0.00 0.00 178.44 178.89 1u4s h GLU 238 N 1.14 0.38 -0.77 1.25 4.81 -0.33 0.17 114.58 121.23 1u4s h GLU 238 Ca 0.25 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1u4s h GLU 238 Cb 0.28 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1u4s h GLU 238 CO -0.01 0.26 0.50 0.82 -0.73 0.00 0.00 179.01 179.85 1u4s h ILE 239 N 0.39 1.18 -0.38 2.32 2.04 -0.87 -1.75 117.51 120.43 1u4s h ILE 239 Ca 0.10 -0.35 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 1u4s h ILE 239 Cb -0.04 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1u4s h ILE 239 CO -0.02 0.19 -0.32 0.58 0.00 0.00 0.00 178.15 178.57 1u4s h VAL 240 N 1.02 1.28 0.00 1.67 2.07 -1.06 -2.03 116.25 119.19 1u4s h VAL 240 Ca 0.29 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1u4s h VAL 240 Cb -0.09 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1u4s h VAL 240 CO -0.07 0.49 -0.10 0.78 0.02 0.00 0.00 177.57 178.69 1u4s h ASN 241 N 0.72 0.00 -0.05 0.57 2.35 -0.83 -1.02 115.58 117.32 1u4s h ASN 241 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1u4s h ASN 241 Cb 0.88 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.25 1u4s h ASN 241 CO 0.08 0.10 0.00 0.18 -1.65 0.00 0.00 177.43 176.14 1u4s n LEU 242 N -3.27 0.29 -1.83 1.61 4.77 -0.67 -4.89 117.00 113.01 1u4s n LEU 242 Ca -0.00 -0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 55.70 1u4s n LEU 242 Cb 0.33 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1u4s n LEU 242 CO 0.29 0.07 -0.05 1.41 -1.33 0.00 0.00 177.39 177.78 1u4s n HIS 243 N -0.40 -1.05 -4.20 -1.77 8.25 -0.39 -5.03 115.22 110.64 1u4s n HIS 243 Ca 0.04 0.23 -0.09 0.00 -0.26 0.00 0.00 57.72 57.64 1u4s n HIS 243 Cb 0.06 -3.10 -0.02 0.00 1.12 0.00 0.00 29.99 28.05 1u4s n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u4s n ALA 244 N -2.51 0.18 -3.07 -1.41 0.00 -0.82 -5.04 120.51 107.84 1u4s n ALA 244 Ca -0.10 -0.72 -0.11 0.00 0.00 0.00 0.00 53.44 52.51 1u4s n ALA 244 Cb 0.59 0.45 -0.11 0.00 0.00 0.00 0.00 19.45 20.38 1u4s n ALA 244 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u4s s SER 245 N -1.88 -0.02 -0.16 0.00 1.04 -1.26 -3.62 113.70 107.81 1u4s s SER 245 Ca 0.04 -0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.13 1u4s s SER 245 Cb 0.00 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 1u4s s SER 245 CO 0.03 -0.26 1.29 -2.16 0.98 0.00 0.00 173.24 173.13 1u4s s PRO 246 N -0.89 4.23 0.00 4.02 0.04 -1.26 -4.74 135.00 136.39 1u4s s PRO 246 Ca -0.10 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1u4s s PRO 246 Cb -0.06 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1u4s s PRO 246 CO 0.01 -0.72 0.00 2.48 0.04 0.00 0.00 177.00 178.81 1u4s n TYR 247 N 6.65 0.00 0.22 0.56 4.11 -1.26 -4.84 117.16 122.59 1u4s n TYR 247 Ca 0.14 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.90 1u4s n TYR 247 Cb 0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.71 1u4s n TYR 247 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1u4s h VAL 248 N 0.00 0.54 -0.41 -3.48 2.07 -1.91 -1.78 116.25 111.27 1u4s h VAL 248 Ca 0.00 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 1u4s h VAL 248 Cb 0.00 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1u4s h VAL 248 CO 0.00 0.07 -0.01 0.00 0.02 0.00 0.00 177.57 177.66 1u4s h ALA 249 N -0.38 0.56 -0.84 1.67 0.00 -1.98 -0.87 119.26 117.43 1u4s h ALA 249 Ca -0.06 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 54.77 1u4s h ALA 249 Cb 0.54 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 1u4s h ALA 249 CO 0.09 0.35 0.36 -1.35 0.00 0.00 0.00 179.25 178.70 1u4s h PRO 250 N 0.57 0.42 -0.31 0.00 0.11 -1.88 -0.79 132.00 130.12 1u4s h PRO 250 Ca 0.12 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 1u4s h PRO 250 Cb 0.49 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1u4s h PRO 250 CO 0.02 0.28 -0.02 0.00 -0.21 0.00 0.00 178.00 178.08 1u4s h ALA 251 N 1.64 0.41 -0.70 -0.75 0.00 -0.75 -1.87 119.26 117.25 1u4s h ALA 251 Ca 0.50 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1u4s h ALA 251 Cb 0.86 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1u4s h ALA 251 CO -0.47 0.18 0.23 0.00 0.00 0.00 0.00 179.25 179.18 1u4s h ALA 252 N 0.83 1.08 -0.34 0.00 0.00 -0.55 -1.37 119.26 118.91 1u4s h ALA 252 Ca 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1u4s h ALA 252 Cb 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1u4s h ALA 252 CO 0.02 0.63 0.19 0.00 0.00 0.00 0.00 179.25 180.09 1u4s h ALA 253 N 1.21 0.43 -0.81 0.00 0.00 -1.02 0.40 119.26 119.47 1u4s h ALA 253 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1u4s h ALA 253 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1u4s h ALA 253 CO -0.01 -0.04 0.45 0.82 0.00 0.00 0.00 179.25 180.46 1u4s h ILE 254 N 0.42 1.24 -0.24 0.00 2.04 -0.92 -2.10 117.51 117.95 1u4s h ILE 254 Ca 0.12 -0.59 -0.11 0.00 1.00 0.00 0.00 64.86 65.29 1u4s h ILE 254 Cb 0.06 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1u4s h ILE 254 CO -0.02 0.26 -0.30 0.40 0.00 0.00 0.00 178.15 178.49 1u4s h ILE 255 N 1.12 1.28 -0.78 -0.67 1.08 -1.01 0.07 117.51 118.59 1u4s h ILE 255 Ca 0.28 -1.37 0.02 0.00 -0.39 0.00 0.00 64.86 63.40 1u4s h ILE 255 Cb 0.03 1.42 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 1u4s h ILE 255 CO -0.05 0.43 0.51 -0.08 -0.69 0.00 0.00 178.15 178.28 1u4s h GLU 256 N 0.43 0.98 0.02 2.37 4.81 -0.45 0.35 114.58 123.09 1u4s h GLU 256 Ca 0.05 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1u4s h GLU 256 Cb 0.75 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1u4s h GLU 256 CO 0.06 0.65 -0.01 0.52 -0.73 0.00 0.00 179.01 179.50 1u4s h MET 257 N 1.01 -0.02 -0.75 1.92 2.86 -0.97 -2.11 114.93 116.87 1u4s h MET 257 Ca 0.30 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 1u4s h MET 257 Cb -0.05 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1u4s h MET 257 CO -0.09 0.17 0.26 0.00 1.06 0.00 0.00 176.91 178.31 1u4s h ALA 258 N 0.78 0.98 -0.71 6.32 0.00 -0.72 -2.69 119.26 123.22 1u4s h ALA 258 Ca -0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1u4s h ALA 258 Cb 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1u4s h ALA 258 CO 0.00 0.64 0.21 1.49 0.00 0.00 0.00 179.25 181.59 1u4s h GLU 259 N 1.10 1.11 -0.86 0.00 4.81 -0.28 -0.17 114.58 120.29 1u4s h GLU 259 Ca 0.25 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1u4s h GLU 259 Cb 0.27 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 1u4s h GLU 259 CO -0.01 0.96 0.55 1.03 -0.73 0.00 0.00 179.01 180.81 1u4s h SER 260 N 1.05 0.90 0.55 1.04 0.87 -1.07 -0.06 113.55 116.84 1u4s h SER 260 Ca 0.23 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1u4s h SER 260 Cb 0.32 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1u4s h SER 260 CO -0.00 0.61 -0.26 0.22 -0.53 0.00 0.00 176.83 176.87 1u4s h TYR 261 N 1.06 -0.68 -0.99 2.24 3.20 -1.22 -0.53 116.97 120.04 1u4s h TYR 261 Ca 0.35 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.26 1u4s h TYR 261 Cb 0.03 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 1u4s h TYR 261 CO -0.02 -0.37 0.64 -0.07 -1.64 0.00 0.00 178.16 176.70 1u4s h LEU 262 N -0.89 1.03 -2.24 2.82 3.38 -0.83 -2.74 115.31 115.83 1u4s h LEU 262 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1u4s h LEU 262 Cb 0.62 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1u4s h LEU 262 CO 0.12 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.60 1u4s n LYS 263 N -4.51 2.37 -3.71 1.13 5.02 -0.05 -4.96 118.16 113.44 1u4s n LYS 263 Ca 0.15 -2.15 -0.23 0.00 -2.02 0.00 0.00 58.31 54.06 1u4s n LYS 263 Cb 0.17 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1u4s n LYS 263 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1u4s n ASP 264 N 1.37 -2.48 0.15 4.39 2.03 -0.55 -4.89 116.55 116.58 1u4s n ASP 264 Ca 0.17 -0.77 0.02 0.00 0.52 0.00 0.00 54.79 54.73 1u4s n ASP 264 Cb 0.58 -4.20 0.20 0.00 -0.72 0.00 0.00 41.12 36.98 1u4s n ASP 264 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1u4s h LEU 265 N -1.99 0.00 -0.54 -2.67 3.38 -1.33 -3.44 115.31 108.72 1u4s h LEU 265 Ca -0.60 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 56.99 1u4s h LEU 265 Cb 1.36 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.23 1u4s h LEU 265 CO 0.58 0.54 -0.64 0.29 0.09 0.00 0.00 178.44 179.30 1u4s n LYS 266 N -3.59 -7.10 -2.18 1.13 5.02 -0.60 -4.98 118.16 105.85 1u4s n LYS 266 Ca -0.00 0.81 -0.37 0.00 -2.02 0.00 0.00 58.31 56.72 1u4s n LYS 266 Cb 0.61 -5.71 -0.00 0.00 -0.02 0.00 0.00 35.03 29.90 1u4s n LYS 266 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1u4s s LYS 267 N -6.15 3.65 -0.39 1.97 1.02 -1.21 -4.64 119.74 113.99 1u4s s LYS 267 Ca 0.51 1.85 -0.23 0.00 0.02 0.00 0.00 55.97 58.13 1u4s s LYS 267 Cb -0.23 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.72 1u4s s LYS 267 CO 0.63 -0.66 0.75 0.08 -0.92 0.00 0.00 175.35 175.23 1u4s s VAL 268 N -1.51 4.74 -0.02 3.17 1.01 -1.26 -1.93 120.40 124.60 1u4s s VAL 268 Ca 0.65 0.67 0.01 0.00 0.00 0.00 0.00 61.98 63.31 1u4s s VAL 268 Cb -0.31 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.87 1u4s s VAL 268 CO 0.37 -0.50 -0.05 -0.76 0.00 0.00 0.00 175.10 174.16 1u4s s LEU 269 N 3.07 1.66 -0.26 3.92 1.43 -0.16 -4.95 118.68 123.39 1u4s s LEU 269 Ca 0.29 -0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 53.05 1u4s s LEU 269 Cb -0.13 -0.35 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 1u4s s LEU 269 CO 0.18 0.01 0.80 -0.63 0.23 0.00 0.00 176.35 176.94 1u4s s ILE 270 N 0.39 4.85 0.07 -0.59 1.01 -1.26 -1.10 121.20 124.56 1u4s s ILE 270 Ca -0.05 1.45 -0.02 0.00 0.00 0.00 0.00 60.65 62.04 1u4s s ILE 270 Cb -0.08 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1u4s s ILE 270 CO -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 174.94 174.85 1u4s s SER 272 N -2.94 7.06 0.08 0.00 0.15 -0.62 -1.72 113.70 115.70 1u4s s SER 272 Ca 0.10 1.59 -0.02 0.00 0.70 0.00 0.00 55.95 58.32 1u4s s SER 272 Cb 0.08 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.81 1u4s s SER 272 CO -0.08 -0.65 0.02 0.28 1.20 0.00 0.00 173.24 174.02 1u4s s THR 273 N 2.93 0.18 -0.02 6.45 -1.32 -0.90 -1.25 115.64 121.71 1u4s s THR 273 Ca 0.50 -1.75 -0.30 0.00 -1.21 0.00 0.00 61.69 58.94 1u4s s THR 273 Cb -0.20 -1.62 -0.07 0.00 -1.51 0.00 0.00 72.50 69.10 1u4s s THR 273 CO 0.14 -0.82 1.77 -0.22 -2.21 0.00 0.00 174.62 173.27 1u4s s LEU 274 N -2.94 4.36 0.01 9.08 2.96 -1.26 -1.91 118.68 128.98 1u4s s LEU 274 Ca 0.11 2.40 -0.26 0.00 -0.22 0.00 0.00 54.13 56.15 1u4s s LEU 274 Cb 0.07 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 1u4s s LEU 274 CO -0.07 -0.97 0.82 -0.76 -1.32 0.00 0.00 176.35 174.05 1u4s s LEU 275 N 4.19 4.40 -0.39 -0.68 1.43 -0.03 -4.97 118.68 122.62 1u4s s LEU 275 Ca 0.79 1.47 0.10 0.00 -1.03 0.00 0.00 54.13 55.46 1u4s s LEU 275 Cb -0.37 -3.31 0.44 0.00 0.03 0.00 0.00 46.19 42.98 1u4s s LEU 275 CO 0.34 -0.09 1.05 -0.62 0.23 0.00 0.00 176.35 177.25 1u4s n GLU 276 N 3.31 2.54 0.00 1.70 1.02 -1.24 -2.72 120.64 125.26 1u4s n GLU 276 Ca 0.00 -4.02 0.00 0.00 -0.02 0.00 0.00 57.16 53.12 1u4s n GLU 276 Cb 0.51 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1u4s n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u4s n GLY 277 N -0.32 1.55 3.70 0.62 0.00 0.10 -4.94 105.19 105.90 1u4s n GLY 277 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 1u4s n GLY 277 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u4s n GLN 278 N -0.06 2.39 -1.21 1.61 3.00 -1.24 -1.01 117.38 120.86 1u4s n GLN 278 Ca 0.00 0.85 -0.07 0.00 -0.01 0.00 0.00 57.00 57.77 1u4s n GLN 278 Cb 0.00 -2.60 -0.03 0.00 0.00 0.00 0.00 30.24 27.61 1u4s n GLN 278 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1u4s n TYR 279 N 2.46 0.00 -0.94 1.08 4.01 -1.26 -1.98 117.16 120.53 1u4s n TYR 279 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1u4s n TYR 279 Cb 0.33 -2.00 0.00 0.00 -0.31 0.00 0.00 39.34 37.36 1u4s n TYR 279 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u4s n GLY 280 N -0.68 0.48 3.24 2.72 0.00 -0.18 -4.98 105.19 105.79 1u4s n GLY 280 Ca -0.07 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1u4s n GLY 280 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u4s s HIS 281 N -2.00 2.39 0.25 1.61 3.76 -0.84 -4.93 115.29 115.52 1u4s s HIS 281 Ca 0.00 -0.79 0.04 0.00 -0.15 0.00 0.00 55.06 54.16 1u4s s HIS 281 Cb 0.00 -1.58 -0.05 0.00 1.11 0.00 0.00 32.58 32.06 1u4s s HIS 281 CO 0.00 -0.27 -0.01 -1.12 -0.85 0.00 0.00 174.74 172.49 1u4s s SER 282 N 0.01 2.09 -1.43 1.40 0.01 -1.26 0.01 113.70 114.52 1u4s s SER 282 Ca -0.08 -1.22 -0.08 0.00 1.31 0.00 0.00 55.95 55.87 1u4s s SER 282 Cb -0.15 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1u4s s SER 282 CO 0.05 -0.48 0.99 0.47 0.41 0.00 0.00 173.24 174.68 1u4s n ASP 283 N -0.48 -6.16 -3.53 2.44 8.00 -1.10 -4.96 116.55 110.77 1u4s n ASP 283 Ca -0.05 -0.48 -0.14 0.00 0.71 0.00 0.00 54.79 54.82 1u4s n ASP 283 Cb 0.64 -4.89 -0.05 0.00 -0.02 0.00 0.00 41.12 36.80 1u4s n ASP 283 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1u4s s ILE 285 N -3.27 0.02 -0.09 0.53 1.10 -1.26 -5.05 121.20 113.18 1u4s s ILE 285 Ca 0.51 -0.13 -0.07 0.00 -0.51 0.00 0.00 60.65 60.45 1u4s s ILE 285 Cb -0.23 -0.99 -0.04 0.00 0.15 0.00 0.00 42.46 41.35 1u4s s ILE 285 CO 0.63 -0.07 0.18 -0.36 -2.11 0.00 0.00 174.94 173.21 1u4s s PHE 286 N -2.48 3.60 0.16 3.50 0.40 -1.26 -0.85 117.98 121.05 1u4s s PHE 286 Ca -0.05 0.56 -0.16 0.00 -0.60 0.00 0.00 56.93 56.67 1u4s s PHE 286 Cb -0.01 -1.96 0.03 0.00 0.51 0.00 0.00 43.02 41.59 1u4s s PHE 286 CO -0.02 0.71 0.45 0.20 0.70 0.00 0.00 175.22 177.27 1u4s s GLY 287 N -1.19 -0.13 -0.14 4.36 0.00 -0.80 -4.88 107.32 104.54 1u4s s GLY 287 Ca 0.18 -0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.42 1u4s s GLY 287 CO 0.07 -0.32 1.20 -0.32 0.00 0.00 0.00 173.10 173.73 1u4s s GLY 288 N -2.85 1.82 0.06 0.20 0.00 -0.55 -2.11 107.32 103.89 1u4s s GLY 288 Ca 0.07 0.46 -0.18 0.00 0.00 0.00 0.00 44.72 45.07 1u4s s GLY 288 CO -0.07 2.34 0.41 -1.08 0.00 0.00 0.00 173.10 174.71 1u4s s THR 289 N 3.01 0.06 0.20 0.90 -1.32 -0.70 -0.98 115.64 116.80 1u4s s THR 289 Ca 0.53 -0.48 -0.32 0.00 -1.21 0.00 0.00 61.69 60.22 1u4s s THR 289 Cb -0.21 -0.99 -0.12 0.00 -1.51 0.00 0.00 72.50 69.67 1u4s s THR 289 CO 0.16 -0.26 1.70 -2.16 -2.21 0.00 0.00 174.62 171.84 1u4s s PRO 290 N -2.69 4.14 0.28 7.08 0.04 -1.26 -1.68 135.00 140.91 1u4s s PRO 290 Ca -0.04 2.56 0.06 0.00 0.04 0.00 0.00 61.00 63.62 1u4s s PRO 290 Cb -0.00 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.38 1u4s s PRO 290 CO -0.04 -0.73 -0.04 0.14 0.04 0.00 0.00 177.00 176.37 1u4s s VAL 291 N 1.20 1.55 -0.22 -0.36 -7.23 -0.26 -0.34 120.40 114.74 1u4s s VAL 291 Ca 0.74 -2.10 -0.06 0.00 -1.81 0.00 0.00 61.98 58.75 1u4s s VAL 291 Cb -0.49 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 1u4s s VAL 291 CO 0.32 -0.27 0.02 -0.69 -0.31 0.00 0.00 175.10 174.17 1u4s s VAL 292 N -3.07 4.02 -0.25 1.32 1.01 -0.49 -0.99 120.40 121.94 1u4s s VAL 292 Ca 0.30 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 1u4s s VAL 292 Cb 0.04 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1u4s s VAL 292 CO 0.12 0.40 0.08 -0.76 0.00 0.00 0.00 175.10 174.94 1u4s s LEU 293 N 1.28 3.50 0.00 3.92 1.43 -0.81 -0.58 118.68 127.42 1u4s s LEU 293 Ca 0.04 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1u4s s LEU 293 Cb -0.15 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1u4s s LEU 293 CO 0.02 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1u4s n GLY 294 N 4.94 4.21 0.38 -3.19 0.00 -0.41 -1.56 105.19 109.55 1u4s n GLY 294 Ca -0.16 -1.48 0.20 0.00 0.00 0.00 0.00 46.02 44.58 1u4s n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u4s h ALA 295 N 1.13 2.17 -0.43 4.61 0.00 -1.79 0.54 119.26 125.48 1u4s h ALA 295 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u4s h ALA 295 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1u4s h ALA 295 CO 0.00 -0.62 0.00 0.09 0.00 0.00 0.00 179.25 178.73 1u4s n ASN 296 N -3.87 4.56 0.00 0.00 3.02 -1.26 -5.04 115.26 112.67 1u4s n ASN 296 Ca 0.07 -2.70 0.00 0.00 -0.03 0.00 0.00 54.58 51.92 1u4s n ASN 296 Cb 0.59 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1u4s n ASN 296 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u4s n GLY 297 N 0.46 0.35 3.55 7.41 0.00 0.18 -4.51 105.19 112.63 1u4s n GLY 297 Ca 0.21 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1u4s n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u4s s VAL 298 N 0.00 3.38 0.03 1.61 1.01 0.30 -1.29 120.40 125.45 1u4s s VAL 298 Ca 0.00 0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1u4s s VAL 298 Cb 0.00 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.26 1u4s s VAL 298 CO 0.00 -0.95 1.30 -0.33 0.00 0.00 0.00 175.10 175.12 1u4s h GLU 299 N 14.30 0.00 -2.74 2.72 5.08 -1.07 -3.45 114.58 129.42 1u4s h GLU 299 Ca -0.21 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.03 1u4s h GLU 299 Cb 1.14 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.15 1u4s h GLU 299 CO 1.22 0.83 -0.23 -0.65 -1.00 0.00 0.00 179.01 179.18 1u4s s GLN 301 N -2.78 0.48 -0.25 2.33 -0.21 -1.24 -4.97 119.66 113.03 1u4s s GLN 301 Ca 0.02 0.57 -0.09 0.00 0.02 0.00 0.00 55.36 55.88 1u4s s GLN 301 Cb 0.09 0.23 -0.04 0.00 1.00 0.00 0.00 33.01 34.30 1u4s s GLN 301 CO 0.80 -0.06 0.11 0.08 -2.12 0.00 0.00 175.29 174.10 1u4s s VAL 302 N 0.22 4.72 -0.23 1.09 1.01 -1.26 -1.40 120.40 124.55 1u4s s VAL 302 Ca -0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1u4s s VAL 302 Cb -0.03 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1u4s s VAL 302 CO 0.01 0.33 0.17 -0.63 0.00 0.00 0.00 175.10 174.98 1u4s s ILE 303 N 1.44 5.36 -0.31 2.22 1.01 0.54 -5.01 121.20 126.45 1u4s s ILE 303 Ca 0.06 0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.83 1u4s s ILE 303 Cb -0.15 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1u4s s ILE 303 CO 0.05 0.36 0.17 -0.70 0.00 0.00 0.00 174.94 174.82 1u4s s GLU 304 N 0.94 3.45 0.41 2.79 2.12 -1.26 -4.09 118.70 123.06 1u4s s GLU 304 Ca 0.09 -0.65 -0.25 0.00 0.36 0.00 0.00 54.97 54.51 1u4s s GLU 304 Cb -0.13 -3.62 -0.08 0.00 0.26 0.00 0.00 34.13 30.56 1u4s s GLU 304 CO 0.04 -0.39 1.20 -0.51 -0.54 0.00 0.00 175.26 175.05 1u4s s LEU 305 N 1.65 4.16 -1.26 2.70 1.43 -1.26 -4.92 118.68 121.19 1u4s s LEU 305 Ca 0.05 2.41 -0.10 0.00 -1.03 0.00 0.00 54.13 55.47 1u4s s LEU 305 Cb -0.17 -4.03 0.18 0.00 0.03 0.00 0.00 46.19 42.19 1u4s s LEU 305 CO 0.08 -0.77 1.77 0.00 0.23 0.00 0.00 176.35 177.66 1u4s n GLN 306 N -0.02 3.64 -2.01 1.70 6.02 -1.26 -4.92 117.38 120.53 1u4s n GLN 306 Ca 0.05 -3.65 -0.35 0.00 -0.01 0.00 0.00 57.00 53.03 1u4s n GLN 306 Cb 0.46 -2.91 0.03 0.00 1.02 0.00 0.00 30.24 28.84 1u4s n GLN 306 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u4s s LEU 307 N -0.04 3.64 0.77 1.08 1.43 -1.26 -5.05 118.68 119.24 1u4s s LEU 307 Ca 0.39 2.32 -0.06 0.00 -1.03 0.00 0.00 54.13 55.76 1u4s s LEU 307 Cb 0.07 -4.59 0.12 0.00 0.03 0.00 0.00 46.19 41.82 1u4s s LEU 307 CO 0.01 -1.57 1.07 0.54 0.23 0.00 0.00 176.35 176.63 1u4s s ASN 308 N -1.72 4.20 0.43 2.29 2.20 -1.26 -4.85 114.94 116.23 1u4s s ASN 308 Ca 0.76 0.02 0.12 0.00 -0.94 0.00 0.00 52.86 52.81 1u4s s ASN 308 Cb -0.28 -0.41 0.95 0.00 -2.00 0.00 0.00 41.25 39.51 1u4s s ASN 308 CO 0.33 -1.98 2.01 0.77 -2.94 0.00 0.00 177.10 175.29 1u4s h SER 309 N -0.80 0.17 -0.07 3.54 4.64 -1.98 -0.80 113.55 118.26 1u4s h SER 309 Ca -0.41 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.70 1u4s h SER 309 Cb 1.27 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1u4s h SER 309 CO 0.45 0.25 -0.65 -0.33 -0.87 0.00 0.00 176.83 175.67 1u4s h GLU 310 N 0.18 0.69 -0.26 4.77 3.07 -2.00 -1.48 114.58 119.54 1u4s h GLU 310 Ca 0.04 -0.49 -0.18 0.00 -0.50 0.00 0.00 59.36 58.23 1u4s h GLU 310 Cb 0.20 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1u4s h GLU 310 CO 0.01 1.11 -0.52 0.93 -1.40 0.00 0.00 179.01 179.14 1u4s h GLU 311 N 0.50 0.82 -0.55 2.33 5.08 -1.83 -3.05 114.58 117.87 1u4s h GLU 311 Ca -0.02 -0.53 -0.04 0.00 -1.00 0.00 0.00 59.36 57.78 1u4s h GLU 311 Cb 1.25 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 1u4s h GLU 311 CO 0.13 1.16 0.19 -0.22 -1.00 0.00 0.00 179.01 179.27 1u4s h LYS 312 N 0.58 0.82 -0.90 2.33 3.64 -1.04 -1.56 116.57 120.44 1u4s h LYS 312 Ca 0.01 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1u4s h LYS 312 Cb 1.13 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 1u4s h LYS 312 CO 0.12 0.70 0.58 0.00 -2.27 0.00 0.00 179.45 178.57 1u4s h ALA 313 N 1.41 1.19 -0.16 5.00 0.00 -1.16 0.68 119.26 126.22 1u4s h ALA 313 Ca 0.19 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1u4s h ALA 313 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1u4s h ALA 313 CO -0.01 0.42 -0.54 0.87 0.00 0.00 0.00 179.25 179.99 1u4s h LYS 314 N 1.12 0.47 -0.46 0.00 1.79 -1.32 -2.49 116.57 115.68 1u4s h LYS 314 Ca 0.36 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1u4s h LYS 314 Cb 0.03 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1u4s h LYS 314 CO -0.13 0.89 0.29 0.35 -1.08 0.00 0.00 179.45 179.78 1u4s h PHE 315 N 0.36 0.59 -0.83 -1.35 3.57 -0.61 -2.44 116.94 116.24 1u4s h PHE 315 Ca 0.01 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1u4s h PHE 315 Cb 1.07 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.56 1u4s h PHE 315 CO 0.04 0.39 0.54 -0.44 -2.23 0.00 0.00 178.31 176.61 1u4s h ASP 316 N 0.62 0.91 -0.92 0.41 3.32 -0.65 -1.06 116.42 119.05 1u4s h ASP 316 Ca 0.17 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1u4s h ASP 316 Cb -0.04 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 1u4s h ASP 316 CO -0.03 0.64 0.54 -0.33 -1.72 0.00 0.00 179.24 178.34 1u4s h GLU 317 N 1.07 1.26 -0.13 3.56 5.08 -1.19 -0.24 114.58 123.99 1u4s h GLU 317 Ca 0.32 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1u4s h GLU 317 Cb -0.04 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 1u4s h GLU 317 CO -0.10 0.89 0.07 0.00 -1.00 0.00 0.00 179.01 178.88 1u4s h ALA 318 N 1.32 0.17 -0.75 3.43 0.00 -0.76 -2.19 119.26 120.48 1u4s h ALA 318 Ca 0.33 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1u4s h ALA 318 Cb -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1u4s h ALA 318 CO -0.06 -0.29 0.36 0.82 0.00 0.00 0.00 179.25 180.08 1u4s h ILE 319 N 0.12 1.24 -0.87 0.00 1.08 -0.98 -2.32 117.51 115.78 1u4s h ILE 319 Ca 0.05 -0.68 -0.00 0.00 -0.39 0.00 0.00 64.86 63.83 1u4s h ILE 319 Cb 0.07 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 34.08 1u4s h ILE 319 CO -0.01 0.29 0.54 0.00 -0.69 0.00 0.00 178.15 178.28 1u4s h ALA 320 N 1.18 1.31 -0.33 1.87 0.00 -0.82 -0.26 119.26 122.21 1u4s h ALA 320 Ca 0.26 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1u4s h ALA 320 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1u4s h ALA 320 CO -0.03 0.60 -0.15 1.49 0.00 0.00 0.00 179.25 181.16 1u4s h GLU 321 N 1.19 0.68 -0.33 0.00 4.57 -1.16 -0.27 114.58 119.27 1u4s h GLU 321 Ca 0.31 -0.29 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 1u4s h GLU 321 Cb -0.08 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.44 1u4s h GLU 321 CO -0.06 0.89 0.04 1.15 -1.18 0.00 0.00 179.01 179.85 1u4s h THR 322 N 0.46 0.81 -0.65 0.32 2.02 -0.88 -1.44 112.91 113.53 1u4s h THR 322 Ca 0.08 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.23 1u4s h THR 322 Cb 0.68 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1u4s h THR 322 CO 0.05 0.03 0.41 0.11 0.37 0.00 0.00 175.52 176.49 1u4s h LYS 323 N 0.15 0.80 -0.28 6.66 1.57 -0.90 -0.00 116.57 124.57 1u4s h LYS 323 Ca 0.16 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1u4s h LYS 323 Cb 0.19 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1u4s h LYS 323 CO -0.23 0.53 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.09 1u4s h ARG 324 N 0.82 0.07 -0.15 3.15 2.43 -0.76 -1.93 114.38 118.02 1u4s h ARG 324 Ca 0.26 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.28 1u4s h ARG 324 Cb -0.01 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1u4s h ARG 324 CO -0.09 0.05 -0.52 0.52 -1.51 0.00 0.00 179.97 178.42 1u4s h MET 325 N 0.08 0.43 -0.65 0.20 2.86 -0.98 -2.76 114.93 114.10 1u4s h MET 325 Ca 0.13 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1u4s h MET 325 Cb 0.18 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1u4s h MET 325 CO -0.23 0.85 0.28 -0.22 1.06 0.00 0.00 176.91 178.64 1u4s h LYS 326 N 0.33 0.96 -0.99 1.72 3.64 -0.86 -1.81 116.57 119.56 1u4s h LYS 326 Ca 0.01 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1u4s h LYS 326 Cb 1.03 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.64 1u4s h LYS 326 CO 0.09 0.79 0.65 0.00 -2.27 0.00 0.00 179.45 178.71 1u4s h ALA 327 N 1.12 1.25 0.00 5.00 0.00 -1.15 -1.61 119.26 123.88 1u4s h ALA 327 Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1u4s h ALA 327 Cb 0.17 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1u4s h ALA 327 CO -0.02 0.65 -0.07 -0.07 0.00 0.00 0.00 179.25 179.73 1u4s h LEU 328 N 1.34 0.00 -0.93 0.00 3.38 -1.18 -3.25 115.31 114.66 1u4s h LEU 328 Ca 0.36 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 1u4s h LEU 328 Cb -0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1u4s h LEU 328 CO -0.08 0.07 -0.26 0.00 0.09 0.00 0.00 178.44 178.27 1u4s h ALA 329 N 1.93 1.10 0.00 1.53 0.00 -0.44 -3.36 119.26 120.02 1u4s h ALA 329 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1u4s h ALA 329 Cb 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1u4s h ALA 329 CO 0.01 0.56 0.00 0.72 0.00 0.00 0.00 179.25 180.54