#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hn0 n THR 24 N 0.00 0.01 -4.20 -3.53 -2.24 -1.26 -5.04 114.28 98.03 3hn0 n THR 24 Ca 0.00 -0.51 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 3hn0 n THR 24 Cb 0.00 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 3hn0 n THR 24 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3hn0 s VAL 25 N -0.29 0.92 -0.30 2.28 -7.23 -1.26 -3.28 120.40 111.24 3hn0 s VAL 25 Ca 0.04 -1.89 -0.09 0.00 -1.81 0.00 0.00 61.98 58.23 3hn0 s VAL 25 Cb 0.03 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 3hn0 s VAL 25 CO 0.04 -0.74 0.14 -0.63 -0.31 0.00 0.00 175.10 173.60 3hn0 s ILE 26 N -3.17 4.51 -0.24 -0.62 1.01 0.05 -4.90 121.20 117.83 3hn0 s ILE 26 Ca 0.12 -0.43 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 3hn0 s ILE 26 Cb 0.02 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 3hn0 s ILE 26 CO -0.02 0.09 0.44 -0.54 0.00 0.00 0.00 174.94 174.91 3hn0 s LYS 27 N 1.60 4.10 -0.21 2.79 1.02 -1.26 -0.12 119.74 127.65 3hn0 s LYS 27 Ca 0.04 0.22 -0.01 0.00 0.02 0.00 0.00 55.97 56.24 3hn0 s LYS 27 Cb -0.17 -3.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.55 3hn0 s LYS 27 CO 0.06 -0.21 -0.12 0.08 -0.92 0.00 0.00 175.35 174.24 3hn0 s VAL 28 N 1.85 2.67 -0.24 3.17 1.01 -0.23 -1.21 120.40 127.43 3hn0 s VAL 28 Ca 0.19 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 3hn0 s VAL 28 Cb -0.15 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3hn0 s VAL 28 CO 0.09 0.41 0.10 -0.55 0.00 0.00 0.00 175.10 175.14 3hn0 s SER 29 N 1.35 5.45 -0.27 3.32 0.15 0.01 -0.76 113.70 122.95 3hn0 s SER 29 Ca 0.04 -0.10 -0.04 0.00 0.70 0.00 0.00 55.95 56.55 3hn0 s SER 29 Cb -0.14 -1.98 0.02 0.00 -1.71 0.00 0.00 66.02 62.21 3hn0 s SER 29 CO -0.08 0.01 0.01 -0.69 1.20 0.00 0.00 173.24 173.69 3hn0 s VAL 30 N 1.37 3.39 0.18 4.45 1.01 0.05 0.01 120.40 130.87 3hn0 s VAL 30 Ca 0.06 -0.88 -0.33 0.00 0.00 0.00 0.00 61.98 60.83 3hn0 s VAL 30 Cb -0.15 -2.74 -0.14 0.00 0.00 0.00 0.00 36.38 33.36 3hn0 s VAL 30 CO 0.05 0.14 1.53 -0.11 0.00 0.00 0.00 175.10 176.70 3hn0 n LEU 31 N 4.76 3.09 -4.55 3.92 7.94 -1.13 -1.08 117.00 129.96 3hn0 n LEU 31 Ca -0.15 1.10 -0.47 0.00 -1.11 0.00 0.00 56.01 55.38 3hn0 n LEU 31 Cb 0.47 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 42.97 3hn0 n LEU 31 CO 0.29 -0.35 0.49 -1.14 -1.11 0.00 0.00 177.39 175.57 3hn0 n ARG 32 N 2.99 0.99 -0.32 1.96 0.63 0.86 -4.68 116.66 119.08 3hn0 n ARG 32 Ca 0.15 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 3hn0 n ARG 32 Cb 0.29 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.52 3hn0 n ARG 32 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hn0 n GLY 33 N 1.61 0.82 0.26 5.14 0.00 -1.26 -4.94 105.19 106.83 3hn0 n GLY 33 Ca 0.13 -1.84 0.18 0.00 0.00 0.00 0.00 46.02 44.48 3hn0 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hn0 h PRO 34 N 5.23 0.00 -0.72 1.61 0.13 -1.88 -2.88 132.00 133.50 3hn0 h PRO 34 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.29 3hn0 h PRO 34 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3hn0 h PRO 34 CO 0.00 0.00 0.49 0.77 -0.23 0.00 0.00 178.00 179.03 3hn0 h SER 35 N 0.00 0.29 0.31 1.44 0.02 -1.92 -1.04 113.55 112.66 3hn0 h SER 35 Ca 0.00 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3hn0 h SER 35 Cb 0.35 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3hn0 h SER 35 CO 0.00 0.15 -0.13 1.62 -1.14 0.00 0.00 176.83 177.33 3hn0 h VAL 36 N 0.31 0.69 -0.83 2.27 3.04 -1.78 -1.84 116.25 118.11 3hn0 h VAL 36 Ca 0.35 -0.54 -0.02 0.00 -1.01 0.00 0.00 66.70 65.49 3hn0 h VAL 36 Cb 0.94 1.33 -0.04 0.00 -2.01 0.00 0.00 31.29 31.51 3hn0 h VAL 36 CO -0.09 0.13 0.45 0.40 -1.01 0.00 0.00 177.57 177.45 3hn0 h ILE 37 N 0.00 1.24 -0.08 3.17 2.04 -1.40 0.24 117.51 122.72 3hn0 h ILE 37 Ca -0.00 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 3hn0 h ILE 37 Cb 0.32 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3hn0 h ILE 37 CO 0.02 0.27 -0.10 0.00 0.00 0.00 0.00 178.15 178.34 3hn0 h ALA 38 N 1.34 1.68 -0.24 1.87 0.00 -1.45 -2.49 119.26 119.97 3hn0 h ALA 38 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hn0 h ALA 38 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hn0 h ALA 38 CO -0.05 0.24 0.00 1.19 0.00 0.00 0.00 179.25 180.63 3hn0 n PHE 39 N -4.35 0.30 -0.27 0.00 3.01 -0.55 -3.47 117.46 112.14 3hn0 n PHE 39 Ca -0.02 -0.15 0.03 0.00 1.01 0.00 0.00 57.45 58.32 3hn0 n PHE 39 Cb 0.21 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 39.84 3hn0 n PHE 39 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hn0 h ALA 40 N 4.42 1.08 0.00 4.37 0.00 -0.51 0.78 119.26 129.40 3hn0 h ALA 40 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hn0 h ALA 40 Cb 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hn0 h ALA 40 CO 0.00 -0.02 0.00 0.22 0.00 0.00 0.00 179.25 179.45 3hn0 h ASP 41 N 0.65 0.00 1.49 0.00 3.58 -1.82 -1.48 116.42 118.84 3hn0 h ASP 41 Ca 0.38 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.81 3hn0 h ASP 41 Cb 0.43 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 3hn0 h ASP 41 CO -0.29 0.00 -0.14 -0.50 -2.88 0.00 0.00 179.24 175.44 3hn0 h TRP 42 N 0.00 0.00 0.07 0.28 4.06 -1.06 0.13 115.95 119.43 3hn0 h TRP 42 Ca 0.00 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.77 3hn0 h TRP 42 Cb 0.40 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.57 3hn0 h TRP 42 CO 0.00 0.14 -0.75 -0.07 -3.56 0.00 0.00 178.44 174.20 3hn0 h LEU 43 N 0.00 0.54 -0.25 -4.49 3.38 -1.26 -2.93 115.31 110.30 3hn0 h LEU 43 Ca -0.00 -0.85 -0.02 0.00 0.09 0.00 0.00 57.88 57.11 3hn0 h LEU 43 Cb 0.92 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3hn0 h LEU 43 CO 0.02 1.33 0.10 -0.08 0.09 0.00 0.00 178.44 179.89 3hn0 h GLU 44 N -0.18 0.37 -2.15 1.13 4.57 -1.32 -3.39 114.58 113.60 3hn0 h GLU 44 Ca -0.11 -0.07 -0.55 0.00 -1.18 0.00 0.00 59.36 57.45 3hn0 h GLU 44 Cb 1.50 -0.06 -0.37 0.00 -0.16 0.00 0.00 28.75 29.67 3hn0 h GLU 44 CO 0.14 0.42 -0.97 0.09 -1.18 0.00 0.00 179.01 177.51 3hn0 n ASN 45 N -4.78 -0.56 -4.67 1.04 3.02 0.45 -5.10 115.26 104.66 3hn0 n ASN 45 Ca -0.03 -2.50 -0.46 0.00 -0.03 0.00 0.00 54.58 51.56 3hn0 n ASN 45 Cb 0.13 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.87 3hn0 n ASN 45 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3hn0 n PRO 46 N 2.48 2.21 -1.77 3.52 -0.02 -1.10 -4.48 135.00 135.84 3hn0 n PRO 46 Ca 0.27 0.80 -0.33 0.00 -2.02 0.00 0.00 63.50 62.22 3hn0 n PRO 46 Cb 0.50 -2.60 0.05 0.00 -0.02 0.00 0.00 33.50 31.43 3hn0 n PRO 46 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3hn0 s PRO 47 N 1.88 2.79 -0.17 0.52 0.02 -1.26 -4.77 135.00 134.00 3hn0 s PRO 47 Ca 0.83 1.42 0.00 0.00 0.02 0.00 0.00 61.00 63.27 3hn0 s PRO 47 Cb -0.67 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 31.91 3hn0 s PRO 47 CO 0.41 -1.26 -0.16 0.42 -0.33 0.00 0.00 177.00 176.09 3hn0 s ILE 48 N -2.29 2.51 -0.14 2.83 1.01 -1.26 -1.06 121.20 122.80 3hn0 s ILE 48 Ca 0.68 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.54 3hn0 s ILE 48 Cb -0.21 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.21 3hn0 s ILE 48 CO 0.41 0.51 -0.19 -0.63 0.00 0.00 0.00 174.94 175.05 3hn0 s ILE 49 N 1.06 1.83 -1.51 2.92 1.01 0.02 -4.76 121.20 121.78 3hn0 s ILE 49 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 3hn0 s ILE 49 Cb -0.14 -1.65 0.07 0.00 0.01 0.00 0.00 42.46 40.75 3hn0 s ILE 49 CO -0.05 0.51 0.84 -0.67 0.00 0.00 0.00 174.94 175.57 3hn0 n ASP 50 N 4.31 -3.42 -1.50 3.58 2.03 -1.26 -0.60 116.55 119.68 3hn0 n ASP 50 Ca -0.19 -0.85 -0.17 0.00 0.52 0.00 0.00 54.79 54.10 3hn0 n ASP 50 Cb 0.51 -3.64 -0.05 0.00 -0.72 0.00 0.00 41.12 37.22 3hn0 n ASP 50 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3hn0 n ASN 51 N -2.86 -4.98 -4.28 1.67 5.15 -1.26 -5.00 115.26 103.70 3hn0 n ASN 51 Ca -0.05 0.26 -0.33 0.00 -0.60 0.00 0.00 54.58 53.85 3hn0 n ASN 51 Cb 0.56 -3.99 -0.15 0.00 -0.53 0.00 0.00 39.78 35.67 3hn0 n ASN 51 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3hn0 s LYS 52 N -3.93 3.23 0.15 1.20 1.02 0.24 -4.91 119.74 116.73 3hn0 s LYS 52 Ca 0.00 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 3hn0 s LYS 52 Cb 0.00 -2.57 -0.07 0.00 -0.52 0.00 0.00 37.83 34.67 3hn0 s LYS 52 CO 0.00 0.10 1.11 0.21 -0.92 0.00 0.00 175.35 175.85 3hn0 s LYS 53 N 0.61 4.56 -0.18 1.68 2.20 -1.21 -0.80 119.74 126.61 3hn0 s LYS 53 Ca -0.09 1.71 -0.26 0.00 -0.36 0.00 0.00 55.97 56.96 3hn0 s LYS 53 Cb -0.16 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 3hn0 s LYS 53 CO 0.03 0.01 0.88 0.08 -0.36 0.00 0.00 175.35 175.99 3hn0 s VAL 54 N 0.07 4.83 -0.28 4.02 1.01 -0.22 -0.77 120.40 129.05 3hn0 s VAL 54 Ca 0.51 1.73 0.03 0.00 0.00 0.00 0.00 61.98 64.25 3hn0 s VAL 54 Cb -0.29 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 31.98 3hn0 s VAL 54 CO 0.33 -0.02 -0.06 -1.58 0.00 0.00 0.00 175.10 173.77 3hn0 s GLN 55 N 2.40 2.10 -0.08 2.72 0.74 0.82 -4.46 119.66 123.90 3hn0 s GLN 55 Ca 0.40 -1.46 -0.19 0.00 0.05 0.00 0.00 55.36 54.15 3hn0 s GLN 55 Cb -0.16 -3.00 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 3hn0 s GLN 55 CO 0.11 -0.66 0.53 0.08 -0.55 0.00 0.00 175.29 174.80 3hn0 s VAL 56 N 1.08 5.09 -0.04 1.34 1.01 -1.26 -1.06 120.40 126.56 3hn0 s VAL 56 Ca -0.04 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.05 3hn0 s VAL 56 Cb -0.20 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3hn0 s VAL 56 CO -0.05 0.35 -0.12 -0.54 0.00 0.00 0.00 175.10 174.74 3hn0 s LYS 57 N 0.36 1.35 -0.01 2.72 1.02 0.06 -4.98 119.74 120.27 3hn0 s LYS 57 Ca 0.29 -0.40 -0.25 0.00 0.02 0.00 0.00 55.97 55.63 3hn0 s LYS 57 Cb -0.16 -1.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.91 3hn0 s LYS 57 CO 0.13 0.11 0.76 0.08 -0.92 0.00 0.00 175.35 175.51 3hn0 s VAL 58 N 0.32 4.89 0.14 3.17 1.01 -1.26 -0.77 120.40 127.90 3hn0 s VAL 58 Ca -0.07 1.59 0.09 0.00 0.00 0.00 0.00 61.98 63.59 3hn0 s VAL 58 Cb -0.12 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3hn0 s VAL 58 CO 0.02 0.29 -0.16 0.68 0.00 0.00 0.00 175.10 175.93 3hn0 s VAL 59 N 0.43 2.93 -0.66 2.92 -7.23 -0.24 -4.90 120.40 113.65 3hn0 s VAL 59 Ca 0.39 -1.57 0.24 0.00 -1.81 0.00 0.00 61.98 59.23 3hn0 s VAL 59 Cb -0.19 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.38 3hn0 s VAL 59 CO 0.21 0.03 1.27 0.47 -0.31 0.00 0.00 175.10 176.77 3hn0 n ASP 60 N 0.55 0.67 -3.79 4.85 8.00 -1.26 -0.10 116.55 125.46 3hn0 n ASP 60 Ca -0.14 0.04 -0.11 0.00 0.71 0.00 0.00 54.79 55.29 3hn0 n ASP 60 Cb 0.54 0.29 -0.08 0.00 -0.02 0.00 0.00 41.12 41.85 3hn0 n ASP 60 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hn0 s SER 61 N -4.09 -0.05 0.26 -2.24 1.04 -1.26 -4.75 113.70 102.61 3hn0 s SER 61 Ca 0.06 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.19 3hn0 s SER 61 Cb 0.14 0.33 0.51 0.00 0.10 0.00 0.00 66.02 67.10 3hn0 s SER 61 CO 0.73 -0.60 1.79 -0.65 0.98 0.00 0.00 173.24 175.49 3hn0 h PRO 62 N 3.28 0.71 -0.30 4.02 0.11 -1.95 0.13 132.00 138.00 3hn0 h PRO 62 Ca -0.32 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.82 3hn0 h PRO 62 Cb 1.20 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 3hn0 h PRO 62 CO 0.47 0.47 -0.22 0.22 -0.21 0.00 0.00 178.00 178.74 3hn0 h ASP 63 N 0.73 -0.72 -0.50 -2.05 1.82 -1.98 0.62 116.42 114.35 3hn0 h ASP 63 Ca 0.46 0.14 -0.06 0.00 -0.39 0.00 0.00 57.03 57.18 3hn0 h ASP 63 Cb 0.57 0.36 -0.02 0.00 0.68 0.00 0.00 39.33 40.91 3hn0 h ASP 63 CO -0.32 -0.25 0.08 -0.07 -1.61 0.00 0.00 179.24 177.07 3hn0 h LEU 64 N -0.19 0.80 -0.66 2.28 3.38 -1.66 -0.45 115.31 118.81 3hn0 h LEU 64 Ca 0.16 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3hn0 h LEU 64 Cb 0.44 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3hn0 h LEU 64 CO -0.41 0.86 0.39 0.00 0.09 0.00 0.00 178.44 179.36 3hn0 h ALA 65 N 0.97 0.87 -0.45 1.53 0.00 -0.11 -1.36 119.26 120.71 3hn0 h ALA 65 Ca 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hn0 h ALA 65 Cb 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hn0 h ALA 65 CO 0.01 0.10 0.21 1.96 0.00 0.00 0.00 179.25 181.54 3hn0 h GLN 66 N 0.74 0.65 -0.73 0.00 4.20 0.48 -2.30 115.11 118.16 3hn0 h GLN 66 Ca 0.28 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.93 3hn0 h GLN 66 Cb 0.10 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 3hn0 h GLN 66 CO -0.14 0.56 0.45 0.00 -0.67 0.00 0.00 178.83 179.03 3hn0 h ALA 67 N 1.06 0.96 -0.88 3.87 0.00 -0.81 0.10 119.26 123.57 3hn0 h ALA 67 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hn0 h ALA 67 Cb 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3hn0 h ALA 67 CO -0.02 0.22 0.54 -0.07 0.00 0.00 0.00 179.25 179.92 3hn0 h LEU 68 N 0.87 1.04 0.05 0.00 3.38 -0.97 0.13 115.31 119.81 3hn0 h LEU 68 Ca 0.30 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3hn0 h LEU 68 Cb 0.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3hn0 h LEU 68 CO -0.12 0.79 -0.02 -0.07 0.09 0.00 0.00 178.44 179.10 3hn0 h LEU 69 N 1.20 -0.06 -0.40 1.67 3.38 -0.83 0.20 115.31 120.47 3hn0 h LEU 69 Ca 0.32 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3hn0 h LEU 69 Cb -0.07 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3hn0 h LEU 69 CO -0.06 0.23 0.13 0.40 0.09 0.00 0.00 178.44 179.23 3hn0 h ILE 70 N -0.35 0.86 0.00 1.22 2.04 -0.56 -1.56 117.51 119.16 3hn0 h ILE 70 Ca -0.01 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3hn0 h ILE 70 Cb 0.32 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3hn0 h ILE 70 CO 0.01 0.05 0.00 0.29 0.00 0.00 0.00 178.15 178.50 3hn0 n LYS 71 N -5.03 0.29 -3.74 2.37 5.02 0.44 -4.86 118.16 112.65 3hn0 n LYS 71 Ca 0.02 0.10 -0.26 0.00 -2.02 0.00 0.00 58.31 56.15 3hn0 n LYS 71 Cb 0.15 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.72 3hn0 n LYS 71 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hn0 n GLN 72 N -1.21 -6.71 0.00 1.97 6.02 -0.59 -4.90 117.38 111.96 3hn0 n GLN 72 Ca 0.09 0.72 0.10 0.00 -0.01 0.00 0.00 57.00 57.89 3hn0 n GLN 72 Cb 0.11 -5.68 0.08 0.00 1.02 0.00 0.00 30.24 25.77 3hn0 n GLN 72 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hn0 n GLU 73 N -4.81 1.81 -4.10 -1.09 1.02 0.62 -4.92 120.64 109.18 3hn0 n GLU 73 Ca 0.00 -1.67 -0.11 0.00 -0.02 0.00 0.00 57.16 55.36 3hn0 n GLU 73 Cb 0.55 -1.39 -0.11 0.00 -0.02 0.00 0.00 31.44 30.48 3hn0 n GLU 73 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3hn0 s THR 74 N -1.73 0.53 -0.24 2.62 -1.32 -1.11 -4.97 115.64 109.41 3hn0 s THR 74 Ca 0.23 -1.48 0.05 0.00 -1.21 0.00 0.00 61.69 59.28 3hn0 s THR 74 Cb 0.17 -1.10 -0.19 0.00 -1.51 0.00 0.00 72.50 69.87 3hn0 s THR 74 CO 0.27 -0.66 -0.15 0.47 -2.21 0.00 0.00 174.62 172.34 3hn0 n ASP 75 N 0.73 1.60 -4.03 8.08 8.00 -0.35 -4.73 116.55 125.86 3hn0 n ASP 75 Ca -0.18 -0.10 -0.17 0.00 0.71 0.00 0.00 54.79 55.06 3hn0 n ASP 75 Cb 0.58 -0.15 -0.14 0.00 -0.02 0.00 0.00 41.12 41.39 3hn0 n ASP 75 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hn0 s ILE 76 N -2.52 0.65 -0.01 0.53 1.01 -0.63 -2.12 121.20 118.11 3hn0 s ILE 76 Ca -0.30 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 3hn0 s ILE 76 Cb 0.08 -0.59 -0.00 0.00 0.01 0.00 0.00 42.46 41.96 3hn0 s ILE 76 CO 0.65 0.02 0.03 0.00 0.00 0.00 0.00 174.94 175.64 3hn0 s ALA 77 N -0.53 -0.06 -0.13 9.38 0.00 -0.29 -0.81 121.76 129.31 3hn0 s ALA 77 Ca -0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.72 3hn0 s ALA 77 Cb -0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3hn0 s ALA 77 CO 0.00 -0.06 0.47 0.08 0.00 0.00 0.00 175.76 176.25 3hn0 s VAL 78 N -0.40 5.19 0.26 0.00 1.01 0.10 -0.74 120.40 125.84 3hn0 s VAL 78 Ca -0.04 0.92 0.03 0.00 0.00 0.00 0.00 61.98 62.88 3hn0 s VAL 78 Cb -0.03 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3hn0 s VAL 78 CO -0.00 0.32 0.21 -1.48 0.00 0.00 0.00 175.10 174.15 3hn0 s LEU 79 N 0.72 1.42 0.00 3.92 0.05 -0.71 -2.84 118.68 121.23 3hn0 s LEU 79 Ca 0.25 -1.56 0.00 0.00 0.05 0.00 0.00 54.13 52.87 3hn0 s LEU 79 Cb -0.15 0.51 0.00 0.00 -2.05 0.00 0.00 46.19 44.50 3hn0 s LEU 79 CO 0.10 -0.96 0.00 -2.65 -0.55 0.00 0.00 176.35 172.29 3hn0 n PRO 80 N -0.44 2.91 0.00 1.48 -0.02 -1.26 -1.07 135.00 136.60 3hn0 n PRO 80 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3hn0 n PRO 80 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.12 3hn0 n PRO 80 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3hn0 n ILE 82 N 0.00 0.00 -0.22 4.25 -5.35 -1.26 -1.75 119.36 115.02 3hn0 n ILE 82 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 3hn0 n ILE 82 Cb 0.00 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 37.93 3hn0 n ILE 82 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 3hn0 h ASN 83 N 0.00 1.00 -0.31 7.28 4.21 -1.94 -1.23 115.58 124.58 3hn0 h ASN 83 Ca 0.00 -0.26 0.00 0.00 1.21 0.00 0.00 56.30 57.25 3hn0 h ASN 83 Cb 0.00 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 36.92 3hn0 h ASN 83 CO 0.00 1.00 0.20 0.00 -1.29 0.00 0.00 177.43 177.34 3hn0 h ALA 84 N 1.03 0.40 -0.33 -0.83 0.00 -1.69 -0.11 119.26 117.73 3hn0 h ALA 84 Ca 0.19 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hn0 h ALA 84 Cb 0.43 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3hn0 h ALA 84 CO 0.01 -0.11 0.18 0.00 0.00 0.00 0.00 179.25 179.33 3hn0 h ALA 85 N 1.09 0.41 0.08 0.00 0.00 -1.79 -1.02 119.26 118.02 3hn0 h ALA 85 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hn0 h ALA 85 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hn0 h ALA 85 CO -0.02 -0.19 -0.04 -0.97 0.00 0.00 0.00 179.25 178.03 3hn0 h ASN 86 N 0.37 -0.09 -0.60 0.00 -1.24 -0.98 0.33 115.58 113.37 3hn0 h ASN 86 Ca 0.13 -0.03 0.07 0.00 0.71 0.00 0.00 56.30 57.18 3hn0 h ASN 86 Cb 0.02 0.02 -0.06 0.00 0.73 0.00 0.00 38.32 39.04 3hn0 h ASN 86 CO -0.07 -0.03 0.29 -0.07 -1.29 0.00 0.00 177.43 176.25 3hn0 h LEU 87 N -0.15 0.38 -0.25 0.34 3.38 -0.87 -0.26 115.31 117.88 3hn0 h LEU 87 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hn0 h LEU 87 Cb 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3hn0 h LEU 87 CO 0.02 0.24 0.16 0.22 0.09 0.00 0.00 178.44 179.17 3hn0 h TYR 88 N 0.53 0.31 0.00 1.13 3.20 -1.00 -1.37 116.97 119.76 3hn0 h TYR 88 Ca 0.28 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 3hn0 h TYR 88 Cb 0.25 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 3hn0 h TYR 88 CO -0.12 0.20 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.57 3hn0 h ASN 89 N 0.33 0.00 0.43 -2.11 2.35 -0.27 -2.26 115.58 114.06 3hn0 h ASN 89 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3hn0 h ASN 89 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3hn0 h ASN 89 CO -0.02 0.12 -0.12 0.29 -1.65 0.00 0.00 177.43 176.05 3hn0 n LYS 90 N -4.21 0.57 0.00 0.81 5.02 -0.17 -4.93 118.16 115.26 3hn0 n LYS 90 Ca -0.02 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 3hn0 n LYS 90 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3hn0 n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hn0 n GLY 91 N 1.31 0.81 3.74 0.72 0.00 -0.85 -5.07 105.19 105.86 3hn0 n GLY 91 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3hn0 n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hn0 s ILE 92 N -2.00 2.95 -1.24 -0.61 -1.09 -0.55 -4.90 121.20 113.75 3hn0 s ILE 92 Ca 0.00 0.79 -0.18 0.00 -2.23 0.00 0.00 60.65 59.04 3hn0 s ILE 92 Cb 0.00 -3.51 0.09 0.00 -1.58 0.00 0.00 42.46 37.47 3hn0 s ILE 92 CO 0.00 0.12 1.63 -0.54 -1.23 0.00 0.00 174.94 174.92 3hn0 s LYS 93 N -0.26 3.96 0.11 2.79 1.02 -1.26 -4.44 119.74 121.67 3hn0 s LYS 93 Ca 0.58 -2.03 0.03 0.00 0.02 0.00 0.00 55.97 54.56 3hn0 s LYS 93 Cb -0.39 -5.40 -0.04 0.00 -0.52 0.00 0.00 37.83 31.48 3hn0 s LYS 93 CO 0.41 -2.13 -0.08 0.96 -0.92 0.00 0.00 175.35 173.59 3hn0 s ILE 94 N 3.68 0.85 0.15 2.17 -4.36 -1.26 -4.27 121.20 118.16 3hn0 s ILE 94 Ca 0.50 -1.97 0.04 0.00 -0.26 0.00 0.00 60.65 58.96 3hn0 s ILE 94 Cb 0.02 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 3hn0 s ILE 94 CO 0.04 -0.83 -0.08 -0.54 0.24 0.00 0.00 174.94 173.77 3hn0 s LYS 95 N -3.78 1.06 -0.23 0.37 1.02 -0.68 -4.88 119.74 112.61 3hn0 s LYS 95 Ca 0.13 -1.46 -0.22 0.00 0.02 0.00 0.00 55.97 54.44 3hn0 s LYS 95 Cb 0.04 -0.53 -0.01 0.00 -0.52 0.00 0.00 37.83 36.80 3hn0 s LYS 95 CO -0.03 0.03 0.71 -1.17 -0.92 0.00 0.00 175.35 173.97 3hn0 s LEU 96 N -3.16 4.09 -0.10 3.17 2.96 0.93 -1.56 118.68 125.01 3hn0 s LEU 96 Ca 0.18 0.88 -0.25 0.00 -0.22 0.00 0.00 54.13 54.72 3hn0 s LEU 96 Cb 0.04 -3.00 -0.21 0.00 0.50 0.00 0.00 46.19 43.51 3hn0 s LEU 96 CO 0.01 -0.41 0.80 0.00 -1.32 0.00 0.00 176.35 175.43 3hn0 h ALA 97 N 7.71 -0.03 0.00 5.97 0.00 -1.06 -3.38 119.26 128.47 3hn0 h ALA 97 Ca -0.26 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3hn0 h ALA 97 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hn0 h ALA 97 CO 0.81 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.39 3hn0 n GLY 98 N 1.25 -0.92 2.92 0.00 0.00 -1.21 -0.10 105.19 107.14 3hn0 n GLY 98 Ca -0.09 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 3hn0 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hn0 n PRO 100 N 4.02 1.58 -3.81 0.00 -0.04 -1.26 -1.91 135.00 133.58 3hn0 n PRO 100 Ca -0.24 -1.09 -0.13 0.00 -0.04 0.00 0.00 63.50 62.00 3hn0 n PRO 100 Cb 0.51 -1.32 -0.15 0.00 -0.04 0.00 0.00 33.50 32.51 3hn0 n PRO 100 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hn0 s ILE 101 N -1.81 -0.03 0.00 0.52 -1.09 -1.26 -1.75 121.20 115.78 3hn0 s ILE 101 Ca 0.16 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 3hn0 s ILE 101 Cb 0.14 -0.09 0.00 0.00 -1.58 0.00 0.00 42.46 40.93 3hn0 s ILE 101 CO 0.36 0.05 0.15 0.79 -1.23 0.00 0.00 174.94 175.05 3hn0 n TRP 102 N 3.67 0.00 -3.94 3.97 7.02 -0.58 -4.60 117.44 122.98 3hn0 n TRP 102 Ca -0.20 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 55.97 3hn0 n TRP 102 Cb 0.55 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.30 3hn0 n TRP 102 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3hn0 s GLY 103 N -0.27 2.31 -0.00 6.99 0.00 0.00 -4.68 107.32 111.68 3hn0 s GLY 103 Ca 0.00 -3.11 0.03 0.00 0.00 0.00 0.00 44.72 41.63 3hn0 s GLY 103 CO 0.00 1.04 0.06 -1.30 0.00 0.00 0.00 173.10 172.90 3hn0 n THR 104 N 3.31 0.00 -3.85 0.90 -2.24 -1.26 -4.16 114.28 106.98 3hn0 n THR 104 Ca 0.05 -0.08 -0.24 0.00 -2.27 0.00 0.00 64.05 61.51 3hn0 n THR 104 Cb 0.34 0.46 -0.17 0.00 -2.10 0.00 0.00 70.33 68.85 3hn0 n THR 104 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hn0 s LEU 105 N -3.15 0.86 0.05 3.22 1.43 -1.26 -3.58 118.68 116.25 3hn0 s LEU 105 Ca -0.01 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 3hn0 s LEU 105 Cb 0.02 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 3hn0 s LEU 105 CO 0.12 -0.16 -0.14 -0.31 0.23 0.00 0.00 176.35 176.09 3hn0 s TYR 106 N 1.81 1.22 -0.11 0.29 1.51 -0.34 -1.40 117.35 120.34 3hn0 s TYR 106 Ca 0.04 -0.38 -0.16 0.00 -1.01 0.00 0.00 57.07 55.56 3hn0 s TYR 106 Cb -0.12 -0.72 -0.05 0.00 -0.11 0.00 0.00 41.96 40.96 3hn0 s TYR 106 CO -0.06 0.04 0.40 -1.17 -1.11 0.00 0.00 175.55 173.65 3hn0 s LEU 107 N -1.28 4.31 0.07 -1.29 2.96 -0.16 -1.36 118.68 121.93 3hn0 s LEU 107 Ca 0.01 0.74 0.09 0.00 -0.22 0.00 0.00 54.13 54.75 3hn0 s LEU 107 Cb -0.08 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 3hn0 s LEU 107 CO 0.01 0.10 -0.25 0.68 -1.32 0.00 0.00 176.35 175.58 3hn0 s VAL 108 N 0.23 2.03 -0.00 1.68 -7.23 0.26 -0.54 120.40 116.82 3hn0 s VAL 108 Ca 0.22 -1.44 -0.02 0.00 -1.81 0.00 0.00 61.98 58.93 3hn0 s VAL 108 Cb -0.15 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 3hn0 s VAL 108 CO 0.09 0.24 0.03 -1.61 -0.31 0.00 0.00 175.10 173.54 3hn0 s GLU 109 N -1.46 0.22 0.17 4.82 2.02 -0.29 -1.60 118.70 122.58 3hn0 s GLU 109 Ca 0.11 -0.26 -0.11 0.00 0.02 0.00 0.00 54.97 54.73 3hn0 s GLU 109 Cb -0.10 0.09 -0.07 0.00 0.10 0.00 0.00 34.13 34.15 3hn0 s GLU 109 CO 0.03 -0.04 0.51 0.15 0.02 0.00 0.00 175.26 175.93 3hn0 s LYS 110 N -0.75 3.84 -0.17 1.61 1.02 -0.32 -1.61 119.74 123.36 3hn0 s LYS 110 Ca -0.08 0.30 0.01 0.00 0.02 0.00 0.00 55.97 56.22 3hn0 s LYS 110 Cb -0.05 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 3hn0 s LYS 110 CO -0.00 0.42 -0.18 0.99 -0.92 0.00 0.00 175.35 175.66 3hn0 s THR 111 N -1.62 2.32 0.67 2.17 2.01 -1.16 -3.21 115.64 116.81 3hn0 s THR 111 Ca 0.41 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 3hn0 s THR 111 Cb -0.13 -1.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.40 3hn0 s THR 111 CO 0.20 0.53 1.06 -2.16 -0.69 0.00 0.00 174.62 173.56 3hn0 s PRO 112 N 1.06 3.03 -0.55 4.92 0.04 -1.26 -4.95 135.00 137.29 3hn0 s PRO 112 Ca -0.01 1.03 -0.22 0.00 0.04 0.00 0.00 61.00 61.84 3hn0 s PRO 112 Cb -0.14 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.45 3hn0 s PRO 112 CO -0.06 -1.03 0.83 -1.17 0.04 0.00 0.00 177.00 175.61 3hn0 s LEU 113 N -5.25 4.46 0.00 -3.56 2.96 -1.20 -5.00 118.68 111.09 3hn0 s LEU 113 Ca 0.60 -0.64 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3hn0 s LEU 113 Cb -0.15 -2.64 0.00 0.00 0.50 0.00 0.00 46.19 43.90 3hn0 s LEU 113 CO 0.50 -1.13 0.00 0.29 -1.32 0.00 0.00 176.35 174.68 3hn0 n LYS 114 N 7.02 0.00 -1.85 1.98 4.76 -1.26 -4.87 118.16 123.94 3hn0 n LYS 114 Ca -0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 3hn0 n LYS 114 Cb 0.46 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.63 3hn0 n LYS 114 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hn0 s GLU 115 N 0.00 4.18 -0.11 1.97 8.01 -1.26 -4.91 118.70 126.58 3hn0 s GLU 115 Ca 0.00 2.47 0.18 0.00 0.01 0.00 0.00 54.97 57.63 3hn0 s GLU 115 Cb 0.00 -3.11 0.72 0.00 -4.31 0.00 0.00 34.13 27.43 3hn0 s GLU 115 CO 0.00 -0.66 1.62 -0.35 0.01 0.00 0.00 175.26 175.88 3hn0 n PRO 116 N 3.80 3.70 -1.86 0.39 -0.04 -1.26 -4.44 135.00 135.28 3hn0 n PRO 116 Ca 0.14 -2.84 -0.41 0.00 -0.04 0.00 0.00 63.50 60.36 3hn0 n PRO 116 Cb 0.37 -1.89 -0.00 0.00 -0.04 0.00 0.00 33.50 31.94 3hn0 n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hn0 s ALA 117 N -1.84 3.51 -0.33 0.55 0.00 -1.26 -4.58 121.76 117.80 3hn0 s ALA 117 Ca 0.51 1.50 -0.17 0.00 0.00 0.00 0.00 51.96 53.79 3hn0 s ALA 117 Cb 0.33 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 3hn0 s ALA 117 CO 0.25 -1.00 0.47 -1.17 0.00 0.00 0.00 175.76 174.31 3hn0 s LEU 118 N -2.14 4.30 -0.08 0.00 2.96 0.76 -4.03 118.68 120.46 3hn0 s LEU 118 Ca 0.53 0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 54.25 3hn0 s LEU 118 Cb -0.45 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 3hn0 s LEU 118 CO 0.60 -0.40 0.60 -0.31 -1.32 0.00 0.00 176.35 175.52 3hn0 s TYR 119 N 2.27 3.57 -0.07 5.38 1.51 -0.34 -0.71 117.35 128.96 3hn0 s TYR 119 Ca 0.17 1.11 0.02 0.00 -1.01 0.00 0.00 57.07 57.36 3hn0 s TYR 119 Cb -0.16 -2.69 0.01 0.00 -0.11 0.00 0.00 41.96 39.02 3hn0 s TYR 119 CO 0.12 0.15 -0.13 0.08 -1.11 0.00 0.00 175.55 174.66 3hn0 s VAL 120 N 0.62 1.20 0.57 0.71 1.01 -0.75 -2.37 120.40 121.40 3hn0 s VAL 120 Ca 0.32 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 3hn0 s VAL 120 Cb -0.17 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.14 3hn0 s VAL 120 CO 0.15 0.37 0.83 0.72 0.00 0.00 0.00 175.10 177.17 3hn0 s PHE 121 N 0.73 3.00 -1.31 5.22 -0.71 -1.25 -4.49 117.98 119.15 3hn0 s PHE 121 Ca -0.13 0.24 -0.06 0.00 -1.04 0.00 0.00 56.93 55.94 3hn0 s PHE 121 Cb -0.16 -2.78 0.01 0.00 -1.21 0.00 0.00 43.02 38.89 3hn0 s PHE 121 CO 0.03 -0.90 1.10 0.41 -1.34 0.00 0.00 175.22 174.52 3hn0 n GLY 122 N -2.47 -0.48 3.51 1.99 0.00 0.14 -4.06 105.19 103.82 3hn0 n GLY 122 Ca 0.06 0.20 -0.57 0.00 0.00 0.00 0.00 46.02 45.71 3hn0 n GLY 122 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hn0 n ASN 123 N -3.05 0.17 0.00 1.61 2.85 -1.26 -0.96 115.26 114.62 3hn0 n ASN 123 Ca -0.10 1.15 0.00 0.00 -0.11 0.00 0.00 54.58 55.52 3hn0 n ASN 123 Cb 0.60 -0.97 0.00 0.00 1.24 0.00 0.00 39.78 40.65 3hn0 n ASN 123 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hn0 n GLY 124 N 1.70 0.97 1.86 8.20 0.00 -1.26 -5.02 105.19 111.64 3hn0 n GLY 124 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 3hn0 n GLY 124 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hn0 n THR 125 N -2.03 0.00 -0.22 2.61 -2.24 -0.14 -4.92 114.28 107.34 3hn0 n THR 125 Ca 0.00 -1.23 -0.11 0.00 -2.27 0.00 0.00 64.05 60.44 3hn0 n THR 125 Cb 0.00 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.42 3hn0 n THR 125 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hn0 h THR 126 N 1.15 0.04 -0.94 4.28 2.02 -1.96 -2.13 112.91 115.37 3hn0 h THR 126 Ca -0.21 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.06 3hn0 h THR 126 Cb 0.65 0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 67.03 3hn0 h THR 126 CO 0.35 0.00 0.60 1.55 0.37 0.00 0.00 175.52 178.40 3hn0 h PRO 127 N -0.25 0.96 0.24 6.66 0.13 -1.85 -1.09 132.00 136.79 3hn0 h PRO 127 Ca 0.14 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 3hn0 h PRO 127 Cb 0.55 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.47 3hn0 h PRO 127 CO -0.71 0.63 -0.11 0.22 -0.23 0.00 0.00 178.00 177.80 3hn0 h ASP 128 N 0.99 -0.27 -0.53 1.44 3.58 -1.56 -2.16 116.42 117.91 3hn0 h ASP 128 Ca 0.43 -0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.79 3hn0 h ASP 128 Cb 0.35 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 3hn0 h ASP 128 CO -0.19 -0.04 0.31 0.40 -2.88 0.00 0.00 179.24 176.84 3hn0 h ILE 129 N -0.49 1.03 -0.19 2.25 2.04 -1.04 -0.55 117.51 120.56 3hn0 h ILE 129 Ca -0.03 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 3hn0 h ILE 129 Cb 0.37 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3hn0 h ILE 129 CO 0.05 0.11 -0.22 -0.07 0.00 0.00 0.00 178.15 178.03 3hn0 h LEU 130 N 0.61 0.32 -0.24 1.44 3.38 -1.25 0.59 115.31 120.16 3hn0 h LEU 130 Ca 0.22 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3hn0 h LEU 130 Cb 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hn0 h LEU 130 CO -0.11 0.55 -0.12 0.74 0.09 0.00 0.00 178.44 179.60 3hn0 h THR 131 N 0.30 1.30 -0.82 0.22 2.02 -0.83 -0.92 112.91 114.18 3hn0 h THR 131 Ca 0.05 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 3hn0 h THR 131 Cb 0.55 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 3hn0 h THR 131 CO 0.04 0.37 0.46 0.03 0.37 0.00 0.00 175.52 176.79 3hn0 h ARG 132 N 0.23 1.12 -0.25 6.66 3.08 -0.64 -1.07 114.38 123.51 3hn0 h ARG 132 Ca 0.05 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3hn0 h ARG 132 Cb 0.62 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3hn0 h ARG 132 CO 0.04 0.81 0.12 -0.92 -1.07 0.00 0.00 179.97 178.94 3hn0 h TYR 133 N 1.14 0.37 -0.44 3.04 3.20 -0.73 -1.68 116.97 121.86 3hn0 h TYR 133 Ca 0.29 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.14 3hn0 h TYR 133 Cb -0.00 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3hn0 h TYR 133 CO 0.01 0.37 0.29 -0.92 -1.64 0.00 0.00 178.16 176.26 3hn0 h TYR 134 N 0.27 0.55 -0.53 -3.82 3.20 -0.78 -0.01 116.97 115.85 3hn0 h TYR 134 Ca 0.09 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 3hn0 h TYR 134 Cb 0.14 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3hn0 h TYR 134 CO -0.02 0.34 0.17 -0.07 -1.64 0.00 0.00 178.16 176.95 3hn0 h LEU 135 N 0.59 0.76 -0.13 2.82 3.38 -1.06 -0.83 115.31 120.84 3hn0 h LEU 135 Ca 0.16 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hn0 h LEU 135 Cb -0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3hn0 h LEU 135 CO -0.04 0.76 0.08 1.23 0.09 0.00 0.00 178.44 180.56 3hn0 h GLY 136 N 0.72 0.19 0.91 0.83 0.00 -1.12 -0.33 103.07 104.27 3hn0 h GLY 136 Ca 0.17 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.45 3hn0 h GLY 136 CO -0.01 0.08 0.62 -0.09 0.00 0.00 0.00 176.54 177.13 3hn0 h ARG 137 N 0.14 1.17 -0.01 4.80 2.43 -0.78 -2.49 114.38 119.65 3hn0 h ARG 137 Ca 0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hn0 h ARG 137 Cb 0.03 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 3hn0 h ARG 137 CO -0.01 0.78 -0.16 1.04 -1.51 0.00 0.00 179.97 180.11 3hn0 n GLN 138 N -4.47 1.02 -3.43 0.20 1.13 -0.34 -4.95 117.38 106.55 3hn0 n GLN 138 Ca 0.12 -0.55 -0.19 0.00 -1.94 0.00 0.00 57.00 54.44 3hn0 n GLN 138 Cb 0.07 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.01 3hn0 n GLN 138 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3hn0 n ARG 139 N -0.51 -6.80 -4.29 -1.09 1.74 -0.27 -5.02 116.66 100.42 3hn0 n ARG 139 Ca 0.15 0.80 -0.29 0.00 -0.77 0.00 0.00 57.85 57.73 3hn0 n ARG 139 Cb 0.33 -5.70 -0.11 0.00 -1.02 0.00 0.00 32.46 25.96 3hn0 n ARG 139 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hn0 s LEU 140 N -6.47 2.78 -0.35 0.55 1.43 -0.42 -5.05 118.68 111.16 3hn0 s LEU 140 Ca 0.22 -0.53 0.14 0.00 -1.03 0.00 0.00 54.13 52.94 3hn0 s LEU 140 Cb -0.10 -1.61 0.40 0.00 0.03 0.00 0.00 46.19 44.91 3hn0 s LEU 140 CO 0.69 0.17 0.83 -0.67 0.23 0.00 0.00 176.35 177.60 3hn0 n ASP 141 N 0.72 1.06 -4.77 2.29 2.03 -1.26 -4.30 116.55 112.32 3hn0 n ASP 141 Ca -0.15 -2.89 -0.40 0.00 0.52 0.00 0.00 54.79 51.87 3hn0 n ASP 141 Cb 0.53 -0.56 -0.02 0.00 -0.72 0.00 0.00 41.12 40.34 3hn0 n ASP 141 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3hn0 s TYR 142 N -2.69 3.11 0.14 -0.67 2.02 -1.26 -4.95 117.35 113.05 3hn0 s TYR 142 Ca 0.34 1.46 -0.31 0.00 -0.37 0.00 0.00 57.07 58.19 3hn0 s TYR 142 Cb 0.40 -3.61 -0.09 0.00 -0.40 0.00 0.00 41.96 38.25 3hn0 s TYR 142 CO -0.03 -1.66 1.55 -2.14 -1.57 0.00 0.00 175.55 171.70 3hn0 s PRO 143 N -1.78 4.23 -0.01 -1.71 0.02 -1.26 -4.78 135.00 129.71 3hn0 s PRO 143 Ca 0.49 2.30 -0.22 0.00 0.02 0.00 0.00 61.00 63.59 3hn0 s PRO 143 Cb -0.38 -3.24 -0.05 0.00 0.02 0.00 0.00 34.50 30.85 3hn0 s PRO 143 CO 0.51 -0.60 0.66 -0.51 -0.33 0.00 0.00 177.00 176.73 3hn0 s LEU 144 N 1.36 4.40 -0.15 -5.54 1.43 -1.26 -0.17 118.68 118.75 3hn0 s LEU 144 Ca 0.70 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 55.05 3hn0 s LEU 144 Cb -0.42 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 42.78 3hn0 s LEU 144 CO 0.31 0.03 -0.18 0.21 0.23 0.00 0.00 176.35 176.95 3hn0 s ASN 145 N 0.08 2.89 -0.25 2.29 3.84 0.12 -4.89 114.94 119.02 3hn0 s ASN 145 Ca 0.34 -0.56 0.13 0.00 0.21 0.00 0.00 52.86 52.99 3hn0 s ASN 145 Cb -0.19 -1.32 0.63 0.00 -0.55 0.00 0.00 41.25 39.82 3hn0 s ASN 145 CO 0.19 0.01 1.58 -1.22 -2.79 0.00 0.00 177.10 174.87 3hn0 n TYR 146 N 4.42 1.55 -0.04 0.43 4.01 -1.26 -1.80 117.16 124.45 3hn0 n TYR 146 Ca -0.19 -1.06 0.14 0.00 -0.16 0.00 0.00 57.90 56.63 3hn0 n TYR 146 Cb 0.51 -0.48 0.57 0.00 -0.31 0.00 0.00 39.34 39.63 3hn0 n TYR 146 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hn0 h ALA 147 N 2.20 2.17 -3.11 -0.72 0.00 -1.94 -3.38 119.26 114.48 3hn0 h ALA 147 Ca 0.11 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.34 3hn0 h ALA 147 Cb 1.81 -0.04 -0.31 0.00 0.00 0.00 0.00 17.79 19.24 3hn0 h ALA 147 CO 0.43 -0.30 -0.77 -0.06 0.00 0.00 0.00 179.25 178.55 3hn0 s PHE 148 N -5.26 2.94 -0.61 0.00 0.08 -1.26 -5.00 117.98 108.87 3hn0 s PHE 148 Ca -0.07 -1.35 0.24 0.00 0.12 0.00 0.00 56.93 55.88 3hn0 s PHE 148 Cb 0.20 -2.03 0.45 0.00 -0.57 0.00 0.00 43.02 41.06 3hn0 s PHE 148 CO 0.74 -0.69 1.46 -2.95 -0.10 0.00 0.00 175.22 173.68 3hn0 h ASN 149 N 8.03 0.00 -2.91 1.36 7.08 -1.85 -3.34 115.58 123.94 3hn0 h ASN 149 Ca -0.40 -0.11 -0.64 0.00 -3.08 0.00 0.00 56.30 52.07 3hn0 h ASN 149 Cb 1.14 0.00 -0.17 0.00 -2.08 0.00 0.00 38.32 37.21 3hn0 h ASN 149 CO 0.60 0.06 -0.79 0.42 -2.08 0.00 0.00 177.43 175.64 3hn0 s THR 150 N -3.17 2.48 0.25 6.14 -4.23 -1.26 -0.69 115.64 115.16 3hn0 s THR 150 Ca 0.07 -2.09 -0.05 0.00 -1.18 0.00 0.00 61.69 58.44 3hn0 s THR 150 Cb 0.12 -2.23 0.16 0.00 1.34 0.00 0.00 72.50 71.90 3hn0 s THR 150 CO 0.69 -0.19 1.81 0.00 -0.54 0.00 0.00 174.62 176.38 3hn0 h ALA 151 N 2.91 1.13 -0.75 3.99 0.00 -1.94 -1.30 119.26 123.31 3hn0 h ALA 151 Ca -0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 3hn0 h ALA 151 Cb 1.22 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3hn0 h ALA 151 CO 0.52 0.61 0.39 0.78 0.00 0.00 0.00 179.25 181.55 3hn0 h GLY 152 N 1.09 1.13 1.04 0.00 0.00 -1.99 -0.69 103.07 103.65 3hn0 h GLY 152 Ca 0.24 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 3hn0 h GLY 152 CO -0.02 0.50 -0.32 0.83 0.00 0.00 0.00 176.54 177.54 3hn0 h GLU 153 N 1.06 0.80 -0.64 4.80 5.08 -1.83 -2.03 114.58 121.82 3hn0 h GLU 153 Ca 0.26 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3hn0 h GLU 153 Cb 0.07 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3hn0 h GLU 153 CO -0.04 1.05 0.40 0.82 -1.00 0.00 0.00 179.01 180.24 3hn0 h ILE 154 N 0.58 1.09 -0.20 3.13 2.04 -0.99 -0.45 117.51 122.71 3hn0 h ILE 154 Ca 0.05 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3hn0 h ILE 154 Cb 0.90 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3hn0 h ILE 154 CO 0.08 0.14 0.13 0.74 0.00 0.00 0.00 178.15 179.24 3hn0 h THR 155 N 0.78 1.07 -0.72 -0.27 2.02 -0.95 -0.16 112.91 114.68 3hn0 h THR 155 Ca 0.26 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 3hn0 h THR 155 Cb 0.01 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3hn0 h THR 155 CO -0.10 0.06 0.44 -0.61 0.37 0.00 0.00 175.52 175.68 3hn0 h GLN 156 N 0.26 0.98 -0.82 6.66 5.75 -1.18 -1.54 115.11 125.21 3hn0 h GLN 156 Ca 0.07 -0.09 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 3hn0 h GLN 156 Cb -0.01 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.29 3hn0 h GLN 156 CO -0.01 0.69 0.54 0.78 -2.65 0.00 0.00 178.83 178.17 3hn0 h GLY 157 N 0.98 1.16 0.79 2.39 0.00 -0.50 0.78 103.07 108.67 3hn0 h GLY 157 Ca 0.26 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3hn0 h GLY 157 CO -0.05 0.31 0.01 -2.22 0.00 0.00 0.00 176.54 174.59 3hn0 h ILE 158 N 0.96 1.18 0.00 2.60 2.04 -0.39 -0.81 117.51 123.09 3hn0 h ILE 158 Ca 0.34 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 3hn0 h ILE 158 Cb 0.12 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3hn0 h ILE 158 CO -0.11 0.15 -0.28 -0.07 0.00 0.00 0.00 178.15 177.84 3hn0 h LEU 159 N -0.17 0.00 0.00 1.44 3.38 -0.82 -1.80 115.31 117.34 3hn0 h LEU 159 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hn0 h LEU 159 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hn0 h LEU 159 CO 0.00 0.28 -0.17 0.00 0.09 0.00 0.00 178.44 178.64 3hn0 n ALA 160 N -2.43 2.61 -0.04 1.53 0.00 0.22 -4.94 120.51 117.47 3hn0 n ALA 160 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3hn0 n ALA 160 Cb 0.35 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3hn0 n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hn0 n GLY 161 N 1.43 0.63 0.10 0.00 0.00 -0.68 -4.97 105.19 101.70 3hn0 n GLY 161 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 3hn0 n GLY 161 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hn0 h LYS 162 N 4.67 0.20 -5.05 1.61 1.63 -1.38 -3.45 116.57 114.80 3hn0 h LYS 162 Ca 0.00 -0.34 -0.66 0.00 -0.85 0.00 0.00 60.65 58.80 3hn0 h LYS 162 Cb 0.00 0.13 -0.29 0.00 -0.60 0.00 0.00 32.23 31.47 3hn0 h LYS 162 CO 0.00 1.11 -0.75 0.08 -3.45 0.00 0.00 179.45 176.44 3hn0 s VAL 163 N -2.65 3.15 -0.79 2.00 1.01 -0.79 -4.96 120.40 117.37 3hn0 s VAL 163 Ca -0.05 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.45 3hn0 s VAL 163 Cb 0.08 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3hn0 s VAL 163 CO 0.86 0.45 0.57 0.59 0.00 0.00 0.00 175.10 177.58 3hn0 n ASN 164 N 4.60 1.06 -3.70 3.32 4.13 -1.26 -4.31 115.26 119.10 3hn0 n ASN 164 Ca -0.19 -1.03 -0.11 0.00 1.68 0.00 0.00 54.58 54.94 3hn0 n ASN 164 Cb 0.51 0.54 -0.11 0.00 -1.54 0.00 0.00 39.78 39.18 3hn0 n ASN 164 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3hn0 s ARG 165 N -1.36 0.42 0.23 3.52 3.52 -1.26 -1.18 118.95 122.85 3hn0 s ARG 165 Ca 0.07 0.76 -0.22 0.00 -0.13 0.00 0.00 55.73 56.21 3hn0 s ARG 165 Cb 0.07 0.03 0.04 0.00 -1.56 0.00 0.00 34.95 33.54 3hn0 s ARG 165 CO 0.25 -0.14 0.66 0.00 -0.81 0.00 0.00 175.30 175.26 3hn0 s ALA 166 N 1.16 -1.34 -0.10 6.12 0.00 -0.62 -1.20 121.76 125.78 3hn0 s ALA 166 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 3hn0 s ALA 166 Cb -0.07 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 3hn0 s ALA 166 CO -0.10 -0.93 -0.04 0.08 0.00 0.00 0.00 175.76 174.77 3hn0 s VAL 167 N -3.85 3.93 0.04 0.00 1.01 -1.00 -0.58 120.40 119.95 3hn0 s VAL 167 Ca 0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 3hn0 s VAL 167 Cb -0.04 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3hn0 s VAL 167 CO -0.01 0.57 0.22 -0.76 0.00 0.00 0.00 175.10 175.12 3hn0 s LEU 168 N -0.47 1.26 0.50 3.92 1.43 -0.46 -4.68 118.68 120.18 3hn0 s LEU 168 Ca 0.07 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3hn0 s LEU 168 Cb -0.12 1.04 -0.01 0.00 0.03 0.00 0.00 46.19 47.13 3hn0 s LEU 168 CO 0.02 -0.57 0.02 -0.83 0.23 0.00 0.00 176.35 175.23 3hn0 s GLY 169 N -2.07 3.00 0.41 -3.19 0.00 -1.24 -1.19 107.32 103.04 3hn0 s GLY 169 Ca -0.05 -0.41 -0.22 0.00 0.00 0.00 0.00 44.72 44.04 3hn0 s GLY 169 CO -0.04 -2.15 0.95 -0.54 0.00 0.00 0.00 173.10 171.33 3hn0 s GLU 170 N -3.85 4.29 0.00 2.90 0.41 -1.26 -1.35 118.70 119.83 3hn0 s GLU 170 Ca 0.07 1.16 0.28 0.00 -0.41 0.00 0.00 54.97 56.07 3hn0 s GLU 170 Cb 0.01 -2.29 1.08 0.00 -1.78 0.00 0.00 34.13 31.15 3hn0 s GLU 170 CO 0.04 0.02 1.77 -0.35 -0.49 0.00 0.00 175.26 176.25 3hn0 n PRO 171 N -0.42 0.59 -0.33 0.39 -0.04 -1.26 -4.01 135.00 129.91 3hn0 n PRO 171 Ca 0.06 -0.23 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 3hn0 n PRO 171 Cb 0.53 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.59 3hn0 n PRO 171 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3hn0 h PHE 172 N 0.57 1.23 -0.13 0.54 0.04 -1.84 -0.46 116.94 116.88 3hn0 h PHE 172 Ca 0.00 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.78 3hn0 h PHE 172 Cb 0.41 -0.39 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 3hn0 h PHE 172 CO 0.00 0.86 -0.22 1.25 -0.60 0.00 0.00 178.31 179.60 3hn0 h LEU 173 N 1.25 -0.68 -0.69 1.54 5.85 -1.53 0.19 115.31 121.24 3hn0 h LEU 173 Ca 0.31 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 3hn0 h LEU 173 Cb 0.04 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3hn0 h LEU 173 CO -0.05 -0.27 0.37 0.28 -0.34 0.00 0.00 178.44 178.44 3hn0 h SER 174 N -0.28 0.87 -0.45 1.25 0.02 -1.58 -0.87 113.55 112.51 3hn0 h SER 174 Ca 0.10 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3hn0 h SER 174 Cb 0.43 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3hn0 h SER 174 CO -0.29 0.72 0.18 0.40 -1.14 0.00 0.00 176.83 176.69 3hn0 h ILE 175 N 0.95 1.21 -0.40 3.27 2.04 -0.85 -0.18 117.51 123.55 3hn0 h ILE 175 Ca 0.24 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3hn0 h ILE 175 Cb 0.05 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3hn0 h ILE 175 CO -0.04 0.24 0.15 0.00 0.00 0.00 0.00 178.15 178.50 3hn0 h ALA 176 N 1.02 0.52 -0.67 1.87 0.00 -0.75 0.16 119.26 121.42 3hn0 h ALA 176 Ca 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hn0 h ALA 176 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hn0 h ALA 176 CO -0.01 0.13 0.28 -0.07 0.00 0.00 0.00 179.25 179.58 3hn0 h LEU 177 N 0.50 0.89 -0.09 0.00 3.38 -0.99 -1.29 115.31 117.72 3hn0 h LEU 177 Ca 0.13 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3hn0 h LEU 177 Cb 0.20 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hn0 h LEU 177 CO -0.01 0.78 -0.18 -0.09 0.09 0.00 0.00 178.44 179.03 3hn0 h ARG 178 N 0.95 0.28 0.00 1.13 2.43 -0.80 -3.33 114.38 115.04 3hn0 h ARG 178 Ca 0.23 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3hn0 h ARG 178 Cb 0.17 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3hn0 h ARG 178 CO -0.02 0.77 -0.17 1.63 -1.51 0.00 0.00 179.97 180.67 3hn0 n LYS 179 N -4.56 0.17 -3.72 0.20 5.02 0.03 -4.22 118.16 111.07 3hn0 n LYS 179 Ca -0.07 0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 56.03 3hn0 n LYS 179 Cb 0.40 -1.66 -0.15 0.00 -0.02 0.00 0.00 35.03 33.60 3hn0 n LYS 179 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hn0 s ASP 180 N -3.88 3.95 0.00 4.39 -1.08 -0.50 -5.00 116.67 114.55 3hn0 s ASP 180 Ca 0.11 -1.77 0.22 0.00 -0.52 0.00 0.00 52.55 50.58 3hn0 s ASP 180 Cb 0.15 -0.87 1.18 0.00 -1.46 0.00 0.00 42.92 41.93 3hn0 s ASP 180 CO 0.61 -0.39 1.70 -1.54 0.52 0.00 0.00 175.17 176.07 3hn0 n SER 181 N 4.67 0.00 -1.56 -0.34 3.41 -1.26 -1.54 113.62 117.00 3hn0 n SER 181 Ca -0.00 -0.28 0.10 0.00 -0.26 0.00 0.00 58.87 58.42 3hn0 n SER 181 Cb 0.41 -0.18 0.36 0.00 -0.26 0.00 0.00 64.21 64.54 3hn0 n SER 181 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hn0 n SER 182 N -1.18 4.66 -4.82 4.04 7.64 -1.26 -4.92 113.62 117.78 3hn0 n SER 182 Ca 0.13 -2.36 -0.38 0.00 1.01 0.00 0.00 58.87 57.27 3hn0 n SER 182 Cb 0.13 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 3hn0 n SER 182 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3hn0 s LEU 183 N -1.69 4.46 0.04 -3.43 2.96 -0.59 -3.01 118.68 117.42 3hn0 s LEU 183 Ca 0.51 1.19 0.03 0.00 -0.22 0.00 0.00 54.13 55.64 3hn0 s LEU 183 Cb 0.32 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 3hn0 s LEU 183 CO 0.27 0.22 -0.09 -0.13 -1.32 0.00 0.00 176.35 175.30 3hn0 s ARG 184 N -1.37 0.60 -0.02 1.98 1.81 -0.63 -4.91 118.95 116.41 3hn0 s ARG 184 Ca 0.31 -0.66 -0.30 0.00 -1.72 0.00 0.00 55.73 53.36 3hn0 s ARG 184 Cb -0.18 -0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 33.80 3hn0 s ARG 184 CO 0.19 0.11 1.23 0.42 -0.68 0.00 0.00 175.30 176.56 3hn0 s ILE 185 N -1.02 4.13 -0.16 1.52 1.01 -1.26 -1.14 121.20 124.28 3hn0 s ILE 185 Ca -0.05 1.49 0.09 0.00 0.00 0.00 0.00 60.65 62.18 3hn0 s ILE 185 Cb -0.08 -3.96 -0.12 0.00 0.01 0.00 0.00 42.46 38.31 3hn0 s ILE 185 CO 0.01 0.03 0.26 0.35 0.00 0.00 0.00 174.94 175.58 3hn0 n THR 186 N 4.45 0.00 -3.53 2.92 -2.24 0.30 -4.95 114.28 111.23 3hn0 n THR 186 Ca 0.11 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 3hn0 n THR 186 Cb 0.46 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 69.21 3hn0 n THR 186 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hn0 s ALA 187 N -2.30 -1.51 -0.26 6.98 0.00 -1.17 -4.99 121.76 118.51 3hn0 s ALA 187 Ca -0.01 0.79 -0.09 0.00 0.00 0.00 0.00 51.96 52.65 3hn0 s ALA 187 Cb 0.06 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 3hn0 s ALA 187 CO 0.36 -0.52 0.12 0.34 0.00 0.00 0.00 175.76 176.06 3hn0 s ASP 188 N -1.89 5.47 -0.21 0.00 -1.08 -1.26 -0.99 116.67 116.72 3hn0 s ASP 188 Ca -0.06 -0.15 0.15 0.00 -0.52 0.00 0.00 52.55 51.98 3hn0 s ASP 188 Cb -0.01 -2.00 0.80 0.00 -1.46 0.00 0.00 42.92 40.25 3hn0 s ASP 188 CO -0.00 -0.05 1.72 0.18 0.52 0.00 0.00 175.17 177.54 3hn0 n LEU 189 N 4.98 5.49 -1.15 -1.34 4.32 -0.49 -4.55 117.00 124.25 3hn0 n LEU 189 Ca -0.15 -2.81 0.11 0.00 -0.02 0.00 0.00 56.01 53.13 3hn0 n LEU 189 Cb 0.52 -0.66 0.27 0.00 -1.62 0.00 0.00 43.42 41.93 3hn0 n LEU 189 CO 0.32 0.68 0.73 0.59 -1.22 0.00 0.00 177.39 178.49 3hn0 n ASN 190 N 0.74 3.37 -4.25 -1.43 3.02 -1.26 -4.86 115.26 110.59 3hn0 n ASN 190 Ca 0.27 -1.98 -0.26 0.00 -0.03 0.00 0.00 54.58 52.58 3hn0 n ASN 190 Cb 1.12 -0.35 -0.15 0.00 -0.61 0.00 0.00 39.78 39.80 3hn0 n ASN 190 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3hn0 s HIS 191 N -1.31 1.88 0.09 3.10 3.76 -1.26 -0.67 115.29 120.88 3hn0 s HIS 191 Ca 0.41 -0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 54.77 3hn0 s HIS 191 Cb 0.23 -1.15 -0.08 0.00 1.11 0.00 0.00 32.58 32.69 3hn0 s HIS 191 CO 0.30 0.06 1.49 1.25 -0.85 0.00 0.00 174.74 177.00 3hn0 h LEU 192 N 5.06 0.51 -8.51 0.89 5.85 -1.92 -3.47 115.31 113.72 3hn0 h LEU 192 Ca -0.42 -0.35 -0.21 0.00 0.84 0.00 0.00 57.88 57.73 3hn0 h LEU 192 Cb 1.15 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.92 3hn0 h LEU 192 CO 0.45 0.74 -0.39 0.42 -0.34 0.00 0.00 178.44 179.31 3hn0 s THR 193 N -4.82 0.00 0.13 1.05 -4.23 -1.26 -5.05 115.64 101.46 3hn0 s THR 193 Ca -0.13 -1.77 -0.17 0.00 -1.18 0.00 0.00 61.69 58.44 3hn0 s THR 193 Cb 0.08 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 3hn0 s THR 193 CO 0.76 0.00 1.68 0.44 -0.54 0.00 0.00 174.62 176.96 3hn0 h ASP 194 N 2.39 0.50 0.01 3.99 3.32 -2.04 -2.57 116.42 122.02 3hn0 h ASP 194 Ca -0.31 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3hn0 h ASP 194 Cb 1.25 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3hn0 h ASP 194 CO 0.44 0.52 0.00 0.59 -1.72 0.00 0.00 179.24 179.07 3hn0 n ASN 195 N -4.69 0.00 -4.32 6.45 3.02 -1.26 -4.17 115.26 110.30 3hn0 n ASN 195 Ca -0.01 -0.09 -0.44 0.00 -0.03 0.00 0.00 54.58 54.01 3hn0 n ASN 195 Cb 0.13 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3hn0 n ASN 195 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hn0 n ASP 196 N -1.04 5.50 0.26 6.41 2.03 -0.97 -4.80 116.55 123.94 3hn0 n ASP 196 Ca 0.03 -3.06 0.14 0.00 0.52 0.00 0.00 54.79 52.43 3hn0 n ASP 196 Cb 0.02 -1.43 0.71 0.00 -0.72 0.00 0.00 41.12 39.69 3hn0 n ASP 196 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3hn0 h THR 197 N 3.93 0.37 -0.15 5.18 1.35 -1.84 -3.16 112.91 118.59 3hn0 h THR 197 Ca 0.23 -0.62 -0.08 0.00 -0.55 0.00 0.00 66.41 65.40 3hn0 h THR 197 Cb 0.83 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3hn0 h THR 197 CO 1.15 0.10 -0.22 0.25 -0.25 0.00 0.00 175.52 176.55 3hn0 h LEU 198 N 0.00 0.46 0.00 3.87 5.85 -1.95 -3.50 115.31 120.04 3hn0 h LEU 198 Ca -0.00 -0.52 0.11 0.00 0.84 0.00 0.00 57.88 58.31 3hn0 h LEU 198 Cb 0.44 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3hn0 h LEU 198 CO 0.01 0.89 -0.15 0.61 -0.34 0.00 0.00 178.44 179.47 3hn0 n GLY 199 N 0.33 -2.14 3.76 3.75 0.00 -1.19 -4.93 105.19 104.75 3hn0 n GLY 199 Ca -0.06 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 3hn0 n GLY 199 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hn0 s PHE 200 N -1.31 3.53 -1.29 1.61 0.08 0.16 -4.93 117.98 115.82 3hn0 s PHE 200 Ca 0.00 1.65 -0.17 0.00 0.12 0.00 0.00 56.93 58.53 3hn0 s PHE 200 Cb 0.00 -3.33 0.08 0.00 -0.57 0.00 0.00 43.02 39.21 3hn0 s PHE 200 CO 0.00 -0.71 1.72 0.00 -0.10 0.00 0.00 175.22 176.13 3hn0 n ALA 201 N 1.32 3.71 0.70 5.36 0.00 -1.21 -4.73 120.51 125.66 3hn0 n ALA 201 Ca -0.00 -3.92 0.12 0.00 0.00 0.00 0.00 53.44 49.64 3hn0 n ALA 201 Cb 0.45 -3.52 0.12 0.00 0.00 0.00 0.00 19.45 16.50 3hn0 n ALA 201 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hn0 n GLN 202 N 7.83 0.20 -5.08 0.00 6.02 -1.26 -4.83 117.38 120.26 3hn0 n GLN 202 Ca 0.47 0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 57.19 3hn0 n GLN 202 Cb 0.45 -1.59 -0.17 0.00 1.02 0.00 0.00 30.24 29.95 3hn0 n GLN 202 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hn0 s THR 203 N -3.13 1.83 -0.10 5.09 2.01 -1.26 -4.56 115.64 115.52 3hn0 s THR 203 Ca 0.07 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.16 3hn0 s THR 203 Cb 0.15 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 3hn0 s THR 203 CO 0.75 0.51 -0.11 0.00 -0.69 0.00 0.00 174.62 175.08 3hn0 s ALA 204 N 0.21 2.75 -0.31 7.40 0.00 -0.23 -4.29 121.76 127.29 3hn0 s ALA 204 Ca -0.12 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 3hn0 s ALA 204 Cb -0.16 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 3hn0 s ALA 204 CO 0.06 0.39 0.25 0.08 0.00 0.00 0.00 175.76 176.54 3hn0 s VAL 205 N -0.16 5.27 0.23 0.00 1.01 -0.13 -1.74 120.40 124.88 3hn0 s VAL 205 Ca 0.00 0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.15 3hn0 s VAL 205 Cb -0.13 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3hn0 s VAL 205 CO 0.03 0.11 -0.12 0.68 0.00 0.00 0.00 175.10 175.80 3hn0 s VAL 206 N 1.82 2.93 0.05 2.92 -7.23 0.09 -0.43 120.40 120.55 3hn0 s VAL 206 Ca 0.08 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.22 3hn0 s VAL 206 Cb -0.17 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 3hn0 s VAL 206 CO 0.11 -0.25 0.09 -0.72 -0.31 0.00 0.00 175.10 174.02 3hn0 s TYR 207 N -2.07 0.26 0.44 2.82 1.13 -0.60 -1.14 117.35 118.19 3hn0 s TYR 207 Ca 0.27 -0.65 0.05 0.00 -1.41 0.00 0.00 57.07 55.33 3hn0 s TYR 207 Cb -0.07 -0.18 0.01 0.00 -1.10 0.00 0.00 41.96 40.62 3hn0 s TYR 207 CO 0.15 -0.42 0.61 0.95 -2.51 0.00 0.00 175.55 174.34 3hn0 s THR 208 N -3.23 3.32 0.48 -3.49 -4.23 -0.90 -1.69 115.64 105.90 3hn0 s THR 208 Ca 0.00 -0.84 0.13 0.00 -1.18 0.00 0.00 61.69 59.80 3hn0 s THR 208 Cb 0.02 -3.17 0.27 0.00 1.34 0.00 0.00 72.50 70.97 3hn0 s THR 208 CO -0.07 -0.09 2.11 -0.65 -0.54 0.00 0.00 174.62 175.38 3hn0 h PRO 209 N 0.52 0.21 -2.49 3.99 0.11 -1.92 -3.29 132.00 129.12 3hn0 h PRO 209 Ca -0.43 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.47 3hn0 h PRO 209 Cb 1.27 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3hn0 h PRO 209 CO 0.51 0.14 0.48 0.25 -0.21 0.00 0.00 178.00 179.16 3hn0 n THR 210 N -4.51 2.29 0.00 -1.15 -2.24 -1.26 -4.61 114.28 102.80 3hn0 n THR 210 Ca -0.00 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 3hn0 n THR 210 Cb 0.09 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.39 3hn0 n THR 210 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3hn0 n GLU 212 N 2.91 0.00 0.32 -0.78 4.07 -1.24 -4.65 120.64 121.27 3hn0 n GLU 212 Ca 0.35 0.00 0.22 0.00 -0.06 0.00 0.00 57.16 57.67 3hn0 n GLU 212 Cb 0.55 -0.24 1.11 0.00 -0.06 0.00 0.00 31.44 32.81 3hn0 n GLU 212 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 3hn0 h LYS 213 N 0.00 0.00 -0.13 5.31 2.10 -1.95 -1.32 116.57 120.58 3hn0 h LYS 213 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hn0 h LYS 213 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3hn0 h LYS 213 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3hn0 n TYR 214 N -3.05 0.16 0.26 0.07 4.01 -1.26 -4.70 117.16 112.65 3hn0 n TYR 214 Ca -0.02 -0.10 -0.16 0.00 -0.16 0.00 0.00 57.90 57.46 3hn0 n TYR 214 Cb 0.11 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 3hn0 n TYR 214 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3hn0 h ARG 215 N 3.50 -0.64 -0.52 -0.72 2.43 -1.64 0.20 114.38 117.00 3hn0 h ARG 215 Ca 0.00 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3hn0 h ARG 215 Cb 0.78 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 3hn0 h ARG 215 CO 0.00 -0.43 0.31 0.82 -1.51 0.00 0.00 179.97 179.17 3hn0 h ILE 216 N -0.66 1.06 -0.53 1.20 1.08 -1.84 -0.19 117.51 117.63 3hn0 h ILE 216 Ca -0.05 -0.21 0.06 0.00 -0.39 0.00 0.00 64.86 64.27 3hn0 h ILE 216 Cb 0.54 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.62 3hn0 h ILE 216 CO 0.06 0.11 0.24 0.00 -0.69 0.00 0.00 178.15 177.87 3hn0 h ALA 217 N 1.23 0.68 -0.50 1.87 0.00 -1.76 -0.14 119.26 120.64 3hn0 h ALA 217 Ca 0.21 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3hn0 h ALA 217 Cb 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hn0 h ALA 217 CO -0.09 -0.14 0.14 0.35 0.00 0.00 0.00 179.25 179.52 3hn0 h PHE 218 N 0.45 0.81 -0.34 0.00 3.57 -0.74 -1.79 116.94 118.91 3hn0 h PHE 218 Ca 0.25 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3hn0 h PHE 218 Cb 0.22 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3hn0 h PHE 218 CO -0.13 0.71 0.11 0.93 -2.23 0.00 0.00 178.31 177.71 3hn0 h GLU 219 N 0.68 0.53 -0.59 1.11 5.08 -0.81 0.41 114.58 120.99 3hn0 h GLU 219 Ca 0.16 -0.11 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3hn0 h GLU 219 Cb 0.29 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 3hn0 h GLU 219 CO -0.00 0.55 0.23 -0.44 -1.00 0.00 0.00 179.01 178.34 3hn0 h ASP 220 N 0.40 0.24 0.26 1.42 3.32 -0.90 -0.34 116.42 120.82 3hn0 h ASP 220 Ca 0.11 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 3hn0 h ASP 220 Cb 0.24 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3hn0 h ASP 220 CO -0.00 0.15 -0.49 0.00 -1.72 0.00 0.00 179.24 177.18 3hn0 h ALA 221 N 1.39 0.98 -0.32 3.45 0.00 -0.99 -2.68 119.26 121.08 3hn0 h ALA 221 Ca 0.29 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 3hn0 h ALA 221 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hn0 h ALA 221 CO -0.28 0.65 -0.40 1.25 0.00 0.00 0.00 179.25 180.47 3hn0 h LEU 222 N 0.22 0.83 -0.76 0.00 5.85 -0.43 -1.41 115.31 119.61 3hn0 h LEU 222 Ca 0.01 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.43 3hn0 h LEU 222 Cb 0.94 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 3hn0 h LEU 222 CO 0.08 1.13 0.43 0.03 -0.34 0.00 0.00 178.44 179.77 3hn0 h ARG 223 N 0.64 0.73 -0.52 1.25 3.08 -0.91 0.61 114.38 119.25 3hn0 h ARG 223 Ca 0.05 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3hn0 h ARG 223 Cb 0.96 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3hn0 h ARG 223 CO 0.09 0.48 0.15 0.00 -1.07 0.00 0.00 179.97 179.62 3hn0 h ALA 224 N 1.41 0.69 -0.62 0.04 0.00 -1.13 -0.88 119.26 118.77 3hn0 h ALA 224 Ca 0.36 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3hn0 h ALA 224 Cb 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hn0 h ALA 224 CO -0.22 0.36 0.09 1.03 0.00 0.00 0.00 179.25 180.51 3hn0 h SER 225 N 0.72 0.96 -0.38 0.00 0.87 -0.85 -0.91 113.55 113.96 3hn0 h SER 225 Ca 0.17 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 3hn0 h SER 225 Cb 0.30 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3hn0 h SER 225 CO -0.00 0.96 -0.06 0.00 -0.53 0.00 0.00 176.83 177.20 3hn0 h GLN 227 N 0.53 1.10 -0.49 0.00 4.15 -0.88 -2.46 115.11 117.05 3hn0 h GLN 227 Ca 0.10 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 3hn0 h GLN 227 Cb 0.57 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 3hn0 h GLN 227 CO 0.03 0.77 0.13 -0.22 -1.93 0.00 0.00 178.83 177.62 3hn0 h LYS 228 N 1.11 0.78 -0.60 1.69 3.64 -0.99 1.00 116.57 123.20 3hn0 h LYS 228 Ca 0.29 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3hn0 h LYS 228 Cb -0.05 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.60 3hn0 h LYS 228 CO -0.06 0.75 0.25 0.00 -2.27 0.00 0.00 179.45 178.13 3hn0 h ALA 229 N 1.00 0.78 -0.19 5.00 0.00 -1.04 0.10 119.26 124.91 3hn0 h ALA 229 Ca 0.16 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 3hn0 h ALA 229 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hn0 h ALA 229 CO -0.00 -0.14 -0.69 0.28 0.00 0.00 0.00 179.25 178.70 3hn0 h VAL 230 N 0.46 1.29 0.06 0.00 2.07 -1.01 -3.09 116.25 116.04 3hn0 h VAL 230 Ca 0.29 -1.90 -0.28 0.00 0.82 0.00 0.00 66.70 65.64 3hn0 h VAL 230 Cb 0.32 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3hn0 h VAL 230 CO -0.26 0.60 -1.41 0.03 0.02 0.00 0.00 177.57 176.55 3hn0 h ARG 231 N 0.55 0.14 -2.19 1.57 3.08 -0.75 -3.39 114.38 113.39 3hn0 h ARG 231 Ca -0.03 -0.23 -0.57 0.00 0.07 0.00 0.00 59.98 59.22 3hn0 h ARG 231 Cb 1.30 0.09 -0.41 0.00 0.08 0.00 0.00 29.97 31.02 3hn0 h ARG 231 CO 0.14 0.97 -0.77 0.66 -1.07 0.00 0.00 179.97 179.90 3hn0 n TYR 232 N -3.35 2.90 -0.14 3.04 4.01 0.34 -4.95 117.16 119.01 3hn0 n TYR 232 Ca -0.12 -3.96 -0.05 0.00 -0.16 0.00 0.00 57.90 53.61 3hn0 n TYR 232 Cb 1.02 -0.48 0.13 0.00 -0.31 0.00 0.00 39.34 39.70 3hn0 n TYR 232 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hn0 h PRO 233 N 3.29 0.88 -0.62 -0.72 0.13 -1.71 -1.28 132.00 131.97 3hn0 h PRO 233 Ca 0.13 -0.23 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 3hn0 h PRO 233 Cb 0.65 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 3hn0 h PRO 233 CO 0.73 0.86 0.04 0.87 -0.23 0.00 0.00 178.00 180.27 3hn0 h LYS 234 N 0.83 1.07 -0.35 0.86 1.57 -1.92 0.34 116.57 118.96 3hn0 h LYS 234 Ca 0.16 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 3hn0 h LYS 234 Cb 0.44 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3hn0 h LYS 234 CO 0.02 1.03 -0.18 0.93 -0.57 0.00 0.00 179.45 180.67 3hn0 h GLU 235 N 0.98 0.65 -0.06 3.15 3.07 -1.92 -0.86 114.58 119.58 3hn0 h GLU 235 Ca 0.18 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3hn0 h GLU 235 Cb 0.52 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3hn0 h GLU 235 CO 0.02 0.79 0.02 1.15 -1.40 0.00 0.00 179.01 179.60 3hn0 h THR 236 N 0.58 1.16 -0.32 1.13 2.02 -0.81 -1.33 112.91 115.33 3hn0 h THR 236 Ca 0.09 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.81 3hn0 h THR 236 Cb 0.64 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3hn0 h THR 236 CO 0.04 0.13 0.21 0.40 0.37 0.00 0.00 175.52 176.68 3hn0 h ILE 237 N -0.08 1.07 -0.48 3.11 2.04 -0.76 -0.95 117.51 121.47 3hn0 h ILE 237 Ca 0.02 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.82 3hn0 h ILE 237 Cb 0.19 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 3hn0 h ILE 237 CO -0.00 0.08 0.08 -0.74 0.00 0.00 0.00 178.15 177.57 3hn0 h HIS 238 N 0.43 0.13 -0.50 1.37 2.76 -1.05 0.13 115.15 118.41 3hn0 h HIS 238 Ca 0.12 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 3hn0 h HIS 238 Cb -0.04 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 3hn0 h HIS 238 CO -0.06 -0.02 0.05 1.03 -1.30 0.00 0.00 177.93 177.63 3hn0 h SER 239 N 0.22 0.82 -0.91 3.26 0.87 -0.78 -0.96 113.55 116.06 3hn0 h SER 239 Ca 0.24 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3hn0 h SER 239 Cb 0.33 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 3hn0 h SER 239 CO -0.33 0.90 0.60 -0.07 -0.53 0.00 0.00 176.83 177.39 3hn0 h LEU 240 N 0.71 1.05 -0.20 2.23 3.38 -0.67 -1.76 115.31 120.05 3hn0 h LEU 240 Ca 0.15 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3hn0 h LEU 240 Cb 0.45 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hn0 h LEU 240 CO 0.02 0.77 -0.00 -0.33 0.09 0.00 0.00 178.44 178.98 3hn0 h GLU 241 N 1.24 0.35 -0.71 1.13 5.08 -0.73 -1.07 114.58 119.87 3hn0 h GLU 241 Ca 0.33 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 3hn0 h GLU 241 Cb -0.13 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 3hn0 h GLU 241 CO -0.07 0.56 0.47 0.93 -1.00 0.00 0.00 179.01 179.90 3hn0 h GLU 242 N 0.11 0.73 -0.08 2.33 5.08 -0.88 -1.03 114.58 120.83 3hn0 h GLU 242 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hn0 h GLU 242 Cb 0.40 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hn0 h GLU 242 CO 0.01 0.48 0.00 0.72 -1.00 0.00 0.00 179.01 179.22 3hn0 n HIS 243 N -4.48 0.11 -1.67 4.33 8.25 -0.69 -4.93 115.22 116.14 3hn0 n HIS 243 Ca 0.10 -0.05 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 3hn0 n HIS 243 Cb 0.22 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 3hn0 n HIS 243 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hn0 n GLY 244 N 0.89 0.88 0.13 -1.41 0.00 -0.39 -4.92 105.19 100.37 3hn0 n GLY 244 Ca 0.13 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 3hn0 n GLY 244 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hn0 h ILE 245 N 0.00 1.32 -3.67 -0.61 1.08 -1.42 -3.45 117.51 110.75 3hn0 h ILE 245 Ca -0.29 -2.60 -0.42 0.00 -0.39 0.00 0.00 64.86 61.16 3hn0 h ILE 245 Cb 0.99 3.06 -0.19 0.00 -3.07 0.00 0.00 36.82 37.61 3hn0 h ILE 245 CO 0.39 0.77 -0.77 -0.36 -0.69 0.00 0.00 178.15 177.50 3hn0 s PHE 246 N -2.53 1.39 0.64 1.37 0.08 -1.24 -5.05 117.98 112.64 3hn0 s PHE 246 Ca -0.12 -0.53 -0.17 0.00 0.12 0.00 0.00 56.93 56.23 3hn0 s PHE 246 Cb 0.03 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.73 3hn0 s PHE 246 CO 0.89 0.13 1.18 0.00 -0.10 0.00 0.00 175.22 177.32 3hn0 s ALA 247 N -1.92 2.44 0.21 5.36 0.00 -1.26 -4.38 121.76 122.21 3hn0 s ALA 247 Ca 0.07 0.86 -0.32 0.00 0.00 0.00 0.00 51.96 52.58 3hn0 s ALA 247 Cb -0.06 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 3hn0 s ALA 247 CO 0.03 -1.32 1.66 -1.14 0.00 0.00 0.00 175.76 174.99 3hn0 s GLN 248 N -3.63 4.15 0.00 0.00 0.74 -1.26 -1.59 119.66 118.07 3hn0 s GLN 248 Ca 0.74 2.54 0.00 0.00 0.05 0.00 0.00 55.36 58.69 3hn0 s GLN 248 Cb -0.27 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.75 3hn0 s GLN 248 CO 0.37 -0.69 0.00 0.41 -0.55 0.00 0.00 175.29 174.83 3hn0 n GLY 249 N 3.65 1.43 0.15 2.59 0.00 -1.26 -4.92 105.19 106.82 3hn0 n GLY 249 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3hn0 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hn0 h ALA 250 N 0.00 0.35 -2.80 4.61 0.00 -1.66 -3.43 119.26 116.33 3hn0 h ALA 250 Ca 0.00 -0.14 -0.62 0.00 0.00 0.00 0.00 54.91 54.15 3hn0 h ALA 250 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3hn0 h ALA 250 CO 0.00 -0.03 -0.44 -0.51 0.00 0.00 0.00 179.25 178.27 3hn0 s LEU 251 N -9.76 4.35 0.31 0.00 1.43 -1.26 -4.42 118.68 109.33 3hn0 s LEU 251 Ca -0.13 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 3hn0 s LEU 251 Cb 0.08 -2.86 -0.06 0.00 0.03 0.00 0.00 46.19 43.38 3hn0 s LEU 251 CO 0.73 0.19 0.04 0.42 0.23 0.00 0.00 176.35 177.96 3hn0 s THR 252 N -1.43 1.23 0.48 5.49 -4.23 -1.26 -5.01 115.64 110.91 3hn0 s THR 252 Ca 0.32 -2.02 0.20 0.00 -1.18 0.00 0.00 61.69 59.01 3hn0 s THR 252 Cb -0.13 -2.70 0.37 0.00 1.34 0.00 0.00 72.50 71.38 3hn0 s THR 252 CO 0.22 -0.08 1.98 -0.65 -0.54 0.00 0.00 174.62 175.55 3hn0 h PRO 253 N 2.17 0.20 -0.19 3.99 0.11 -1.99 -0.01 132.00 136.27 3hn0 h PRO 253 Ca -0.40 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 3hn0 h PRO 253 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3hn0 h PRO 253 CO 0.69 0.13 -0.08 0.87 -0.21 0.00 0.00 178.00 179.40 3hn0 h LYS 254 N 0.20 0.30 -0.27 1.05 1.57 -1.99 -1.42 116.57 116.01 3hn0 h LYS 254 Ca 0.28 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3hn0 h LYS 254 Cb 0.84 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3hn0 h LYS 254 CO -0.05 0.40 0.13 0.77 -0.57 0.00 0.00 179.45 180.13 3hn0 h SER 255 N 0.29 0.35 -0.68 0.86 0.02 -1.40 -1.29 113.55 111.69 3hn0 h SER 255 Ca 0.06 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3hn0 h SER 255 Cb 0.33 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3hn0 h SER 255 CO 0.02 0.37 0.40 0.40 -1.14 0.00 0.00 176.83 176.88 3hn0 h ILE 256 N 0.30 1.20 -0.61 3.27 2.04 -1.00 -2.55 117.51 120.16 3hn0 h ILE 256 Ca 0.09 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.54 3hn0 h ILE 256 Cb 0.12 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 3hn0 h ILE 256 CO -0.01 0.21 0.31 -0.33 0.00 0.00 0.00 178.15 178.33 3hn0 h GLU 257 N 0.93 0.55 0.00 2.37 5.08 -0.87 -1.28 114.58 121.36 3hn0 h GLU 257 Ca 0.24 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3hn0 h GLU 257 Cb -0.00 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3hn0 h GLU 257 CO -0.04 0.37 -0.07 0.00 -1.00 0.00 0.00 179.01 178.26 3hn0 h ARG 258 N 0.57 0.00 0.00 2.33 3.08 -0.88 -2.27 114.38 117.22 3hn0 h ARG 258 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3hn0 h ARG 258 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3hn0 h ARG 258 CO -0.20 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 178.77 3hn0 n LYS 260 N -2.92 -1.54 -2.89 0.00 4.76 -0.86 -0.82 118.16 113.90 3hn0 n LYS 260 Ca 0.02 0.78 -0.41 0.00 -2.87 0.00 0.00 58.31 55.83 3hn0 n LYS 260 Cb 0.39 -4.72 -0.04 0.00 -1.84 0.00 0.00 35.03 28.82 3hn0 n LYS 260 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hn0 s ILE 261 N -3.32 4.88 -0.29 -0.18 1.01 -1.26 -1.53 121.20 120.51 3hn0 s ILE 261 Ca 0.34 1.64 -0.19 0.00 0.00 0.00 0.00 60.65 62.45 3hn0 s ILE 261 Cb -0.10 -4.14 0.18 0.00 0.01 0.00 0.00 42.46 38.42 3hn0 s ILE 261 CO 0.81 0.03 1.20 -0.47 0.00 0.00 0.00 174.94 176.51 3hn0 s TYR 262 N 2.13 -0.23 -0.21 3.97 5.04 -0.72 -4.88 117.35 122.45 3hn0 s TYR 262 Ca 0.38 0.49 -0.17 0.00 -2.44 0.00 0.00 57.07 55.33 3hn0 s TYR 262 Cb -0.17 0.24 -0.04 0.00 0.35 0.00 0.00 41.96 42.34 3hn0 s TYR 262 CO 0.13 -0.11 0.46 -0.47 -1.34 0.00 0.00 175.55 174.21 3hn0 s TYR 263 N 0.85 3.36 -0.09 4.97 5.04 -1.26 -3.98 117.35 126.23 3hn0 s TYR 263 Ca -0.04 0.67 0.04 0.00 -2.44 0.00 0.00 57.07 55.29 3hn0 s TYR 263 Cb -0.03 -2.60 -0.01 0.00 0.35 0.00 0.00 41.96 39.66 3hn0 s TYR 263 CO -0.12 -0.09 -0.21 -0.51 -1.34 0.00 0.00 175.55 173.29 3hn0 s LEU 264 N 1.58 2.31 0.61 6.97 1.43 -0.80 -4.98 118.68 125.80 3hn0 s LEU 264 Ca 0.21 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.69 3hn0 s LEU 264 Cb -0.15 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3hn0 s LEU 264 CO 0.09 0.21 1.14 -0.94 0.23 0.00 0.00 176.35 177.07 3hn0 s SER 265 N 0.07 5.28 0.42 2.29 1.04 -1.26 -0.95 113.70 120.59 3hn0 s SER 265 Ca -0.09 2.14 0.09 0.00 0.48 0.00 0.00 55.95 58.56 3hn0 s SER 265 Cb -0.15 -2.57 0.91 0.00 0.10 0.00 0.00 66.02 64.31 3hn0 s SER 265 CO 0.06 -1.52 2.06 0.00 0.98 0.00 0.00 173.24 174.82 3hn0 h ALA 266 N 0.54 1.76 0.04 5.32 0.00 -0.77 -0.26 119.26 125.89 3hn0 h ALA 266 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3hn0 h ALA 266 Cb 1.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3hn0 h ALA 266 CO 0.55 0.21 -0.05 0.82 0.00 0.00 0.00 179.25 180.77 3hn0 h ILE 267 N 0.49 0.87 0.00 0.00 5.03 -1.88 -1.00 117.51 121.03 3hn0 h ILE 267 Ca 0.15 0.00 -0.08 0.00 -0.12 0.00 0.00 64.86 64.81 3hn0 h ILE 267 Cb -0.00 0.87 -0.01 0.00 -3.03 0.00 0.00 36.82 34.65 3hn0 h ILE 267 CO -0.03 0.00 -0.37 -0.33 -0.68 0.00 0.00 178.15 176.74 3hn0 h GLU 268 N -0.11 0.00 -0.38 2.37 4.39 -1.69 -3.11 114.58 116.05 3hn0 h GLU 268 Ca 0.01 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 3hn0 h GLU 268 Cb 0.12 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 3hn0 h GLU 268 CO -0.03 0.37 0.03 0.00 -1.16 0.00 0.00 179.01 178.22 3hn0 n ALA 269 N -2.35 3.52 -0.36 3.43 0.00 -0.20 -4.72 120.51 119.83 3hn0 n ALA 269 Ca -0.01 -2.41 0.02 0.00 0.00 0.00 0.00 53.44 51.04 3hn0 n ALA 269 Cb 0.46 -0.84 0.17 0.00 0.00 0.00 0.00 19.45 19.23 3hn0 n ALA 269 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hn0 h LYS 270 N 2.02 1.17 -0.50 0.00 3.64 -1.11 0.27 116.57 122.07 3hn0 h LYS 270 Ca 0.08 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 3hn0 h LYS 270 Cb 1.67 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 3hn0 h LYS 270 CO 0.36 0.78 -0.19 -0.44 -2.27 0.00 0.00 179.45 177.68 3hn0 h ASP 271 N 1.21 1.02 0.53 4.20 3.32 -1.87 -2.39 116.42 122.44 3hn0 h ASP 271 Ca 0.41 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3hn0 h ASP 271 Cb 0.09 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3hn0 h ASP 271 CO -0.15 1.17 -0.23 0.00 -1.72 0.00 0.00 179.24 178.32 3hn0 h ALA 272 N 0.90 1.22 0.00 3.45 0.00 -1.65 0.09 119.26 123.27 3hn0 h ALA 272 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hn0 h ALA 272 Cb 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hn0 h ALA 272 CO 0.06 0.28 0.00 0.28 0.00 0.00 0.00 179.25 179.88 3hn0 n VAL 273 N -3.68 0.00 0.00 0.00 0.31 -0.01 -2.97 118.33 111.98 3hn0 n VAL 273 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3hn0 n VAL 273 Cb 0.34 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 3hn0 n VAL 273 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hn0 n GLY 275 N 0.39 0.00 0.06 2.92 0.00 0.02 -1.57 105.19 107.00 3hn0 n GLY 275 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3hn0 n GLY 275 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hn0 h PHE 276 N 0.00 -0.03 -0.91 1.61 3.57 -1.75 -1.77 116.94 117.66 3hn0 h PHE 276 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3hn0 h PHE 276 Cb 0.00 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3hn0 h PHE 276 CO 0.00 -0.02 0.53 -0.07 -2.23 0.00 0.00 178.31 176.52 3hn0 h LEU 277 N -0.01 1.11 -0.62 0.59 3.38 -1.57 -1.16 115.31 117.02 3hn0 h LEU 277 Ca 0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hn0 h LEU 277 Cb 0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3hn0 h LEU 277 CO -0.03 0.87 0.38 -0.09 0.09 0.00 0.00 178.44 179.66 3hn0 h ARG 278 N 1.26 0.84 -0.08 1.13 2.43 -1.81 0.00 114.38 118.16 3hn0 h ARG 278 Ca 0.32 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3hn0 h ARG 278 Cb -0.02 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3hn0 h ARG 278 CO -0.06 0.60 0.05 1.25 -1.51 0.00 0.00 179.97 180.30 3hn0 h LEU 279 N 0.85 0.08 -0.62 3.80 5.85 -0.50 -2.13 115.31 122.64 3hn0 h LEU 279 Ca 0.22 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3hn0 h LEU 279 Cb -0.03 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3hn0 h LEU 279 CO -0.04 0.06 0.38 0.40 -0.34 0.00 0.00 178.44 178.90 3hn0 h ILE 280 N 0.10 1.06 -0.14 4.05 1.08 -0.89 -1.97 117.51 120.79 3hn0 h ILE 280 Ca 0.03 -0.25 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3hn0 h ILE 280 Cb -0.01 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 3hn0 h ILE 280 CO -0.01 0.13 0.08 -0.08 -0.69 0.00 0.00 178.15 177.59 3hn0 h GLU 281 N 0.74 0.19 -0.10 2.37 4.81 -0.79 0.11 114.58 121.91 3hn0 h GLU 281 Ca 0.25 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3hn0 h GLU 281 Cb 0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3hn0 h GLU 281 CO -0.11 0.14 -0.09 1.96 -0.73 0.00 0.00 179.01 180.18 3hn0 h GLN 282 N 0.20 0.15 0.05 1.92 4.20 -0.67 -2.97 115.11 117.98 3hn0 h GLN 282 Ca 0.05 -0.02 -0.38 0.00 0.06 0.00 0.00 58.65 58.36 3hn0 h GLN 282 Cb -0.00 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 3hn0 h GLN 282 CO -0.01 0.25 -2.26 0.66 -0.67 0.00 0.00 178.83 176.80 3hn0 n TYR 283 N -4.35 0.52 -3.02 2.96 4.02 -0.61 -4.88 117.16 111.80 3hn0 n TYR 283 Ca -0.01 0.12 -0.15 0.00 -0.01 0.00 0.00 57.90 57.85 3hn0 n TYR 283 Cb 0.21 -1.07 -0.03 0.00 -0.02 0.00 0.00 39.34 38.43 3hn0 n TYR 283 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3hn0 n GLU 284 N -3.45 0.47 0.16 -0.72 -0.58 0.28 -5.02 120.64 111.79 3hn0 n GLU 284 Ca -0.41 -2.51 0.11 0.00 -0.42 0.00 0.00 57.16 53.94 3hn0 n GLU 284 Cb 0.99 -1.51 0.63 0.00 -0.57 0.00 0.00 31.44 30.99 3hn0 n GLU 284 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3hn0 h PRO 285 N 4.95 0.05 0.00 3.49 0.13 -1.70 0.37 132.00 139.29 3hn0 h PRO 285 Ca 0.10 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 3hn0 h PRO 285 Cb 1.00 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 3hn0 h PRO 285 CO 0.23 0.03 -0.06 0.87 -0.23 0.00 0.00 178.00 178.85 3hn0 h LYS 286 N 0.05 0.00 0.00 0.86 1.57 -1.93 0.19 116.57 117.31 3hn0 h LYS 286 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3hn0 h LYS 286 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3hn0 h LYS 286 CO -0.01 0.06 -0.03 0.00 -0.57 0.00 0.00 179.45 178.90 3hn0 h ALA 287 N 1.94 1.47 -0.37 3.86 0.00 -1.27 -1.63 119.26 123.26 3hn0 h ALA 287 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hn0 h ALA 287 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hn0 h ALA 287 CO 0.01 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.63 3hn0 n VAL 288 N -3.80 0.95 -0.75 0.00 0.24 -1.05 -4.57 118.33 109.35 3hn0 n VAL 288 Ca -0.03 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 3hn0 n VAL 288 Cb 0.12 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 3hn0 n VAL 288 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hn0 n GLY 289 N 0.63 0.58 1.09 7.63 0.00 -0.61 -3.48 105.19 111.03 3hn0 n GLY 289 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3hn0 n GLY 289 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hn0 n GLY 290 N -2.59 0.98 3.47 -0.02 0.00 0.63 -4.95 105.19 102.72 3hn0 n GLY 290 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3hn0 n GLY 290 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hn0 s ARG 291 N -0.64 1.26 0.24 1.61 1.70 -1.26 -4.97 118.95 116.88 3hn0 s ARG 291 Ca 0.00 -0.49 -0.30 0.00 -0.47 0.00 0.00 55.73 54.47 3hn0 s ARG 291 Cb 0.00 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.85 3hn0 s ARG 291 CO 0.00 -0.55 1.12 -0.51 -1.08 0.00 0.00 175.30 174.28 3hn0 s LEU 292 N -2.73 4.52 0.46 -1.89 1.02 -1.26 -4.91 118.68 113.88 3hn0 s LEU 292 Ca 0.03 2.22 -0.24 0.00 0.02 0.00 0.00 54.13 56.15 3hn0 s LEU 292 Cb -0.01 -3.62 -0.09 0.00 0.02 0.00 0.00 46.19 42.49 3hn0 s LEU 292 CO -0.10 -0.21 1.29 -2.65 0.02 0.00 0.00 176.35 174.69 3hn0 n PRO 293 N 1.74 1.88 -0.53 1.29 -0.02 -1.26 -5.01 135.00 133.09 3hn0 n PRO 293 Ca 0.01 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 62.06 3hn0 n PRO 293 Cb 0.45 -2.44 0.08 0.00 -0.02 0.00 0.00 33.50 31.58 3hn0 n PRO 293 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hn0 n ASP 294 N -0.09 -0.70 0.25 2.55 5.68 -1.26 -4.91 116.55 118.07 3hn0 n ASP 294 Ca 0.07 -0.95 0.13 0.00 -0.50 0.00 0.00 54.79 53.54 3hn0 n ASP 294 Cb 0.41 -0.37 0.64 0.00 -1.14 0.00 0.00 41.12 40.66 3hn0 n ASP 294 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hn0 h ALA 295 N -2.10 1.12 0.00 2.12 0.00 -1.95 -2.51 119.26 115.94 3hn0 h ALA 295 Ca -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hn0 h ALA 295 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hn0 h ALA 295 CO 0.10 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.94 3hn0 n GLY 296 N -0.27 -0.94 0.28 0.00 0.00 -1.26 -2.78 105.19 100.21 3hn0 n GLY 296 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3hn0 n GLY 296 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hn0 h PHE 297 N 0.00 0.47 -3.44 1.61 3.57 -1.80 -3.42 116.94 113.93 3hn0 h PHE 297 Ca 0.00 -0.03 -0.66 0.00 3.53 0.00 0.00 57.97 60.81 3hn0 h PHE 297 Cb 0.21 -0.14 -0.22 0.00 2.79 0.00 0.00 35.95 38.58 3hn0 h PHE 297 CO 0.00 0.44 -0.70 0.42 -2.23 0.00 0.00 178.31 176.23 3hn0 s ILE 298 N -5.07 3.58 0.58 1.41 1.01 -1.12 -0.05 121.20 121.55 3hn0 s ILE 298 Ca -0.07 -0.49 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 3hn0 s ILE 298 Cb 0.16 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3hn0 s ILE 298 CO 0.75 0.53 1.35 -2.16 0.00 0.00 0.00 174.94 175.42 3hn0 s PRO 299 N -0.01 2.95 0.79 2.79 0.04 -1.26 -4.99 135.00 135.32 3hn0 s PRO 299 Ca -0.01 2.22 -0.12 0.00 0.04 0.00 0.00 61.00 63.13 3hn0 s PRO 299 Cb -0.14 -2.14 0.07 0.00 0.04 0.00 0.00 34.50 32.34 3hn0 s PRO 299 CO 0.03 -1.34 1.13 -1.21 0.04 0.00 0.00 177.00 175.65 3hn0 s GLU 300 N -3.04 1.94 0.24 4.56 8.01 -1.26 -4.82 118.70 124.33 3hn0 s GLU 300 Ca 0.75 1.40 0.02 0.00 0.01 0.00 0.00 54.97 57.14 3hn0 s GLU 300 Cb -0.40 -1.84 0.27 0.00 -4.31 0.00 0.00 34.13 27.84 3hn0 s GLU 300 CO 0.46 -1.91 1.60 1.57 0.01 0.00 0.00 175.26 176.99 3hn0 h LYS 301 N -1.08 0.39 0.00 1.61 -0.00 -2.03 -3.52 116.57 111.95 3hn0 h LYS 301 Ca -0.44 -0.22 0.00 0.00 -0.00 0.00 0.00 60.65 59.99 3hn0 h LYS 301 Cb 1.25 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.50 3hn0 h LYS 301 CO 0.48 0.79 0.00 0.00 -0.00 0.00 0.00 179.45 180.73