#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hj3 s LYS 4 N 0.00 0.42 0.28 5.31 2.20 -1.26 -5.15 119.74 121.54 3hj3 s LYS 4 Ca 0.00 1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 56.34 3hj3 s LYS 4 Cb 0.00 0.61 -0.10 0.00 -1.51 0.00 0.00 37.83 36.84 3hj3 s LYS 4 CO 0.00 -0.17 1.09 1.21 -0.36 0.00 0.00 175.35 177.12 3hj3 s ASN 5 N 2.67 7.26 -0.20 1.43 2.47 -1.26 -4.88 114.94 122.42 3hj3 s ASN 5 Ca -0.03 2.25 0.01 0.00 0.42 0.00 0.00 52.86 55.52 3hj3 s ASN 5 Cb -0.09 -2.62 0.03 0.00 -1.45 0.00 0.00 41.25 37.12 3hj3 s ASN 5 CO -0.18 -0.15 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.19 3hj3 s VAL 6 N -1.18 2.03 -0.05 -5.21 1.01 -1.25 -0.95 120.40 114.80 3hj3 s VAL 6 Ca 0.45 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 61.39 3hj3 s VAL 6 Cb -0.31 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3hj3 s VAL 6 CO 0.40 0.37 -0.25 -0.44 0.00 0.00 0.00 175.10 175.19 3hj3 s SER 7 N 1.26 3.11 0.11 3.32 0.01 0.70 -1.24 113.70 120.97 3hj3 s SER 7 Ca 0.01 -0.49 -0.27 0.00 1.31 0.00 0.00 55.95 56.52 3hj3 s SER 7 Cb -0.15 -0.69 -0.07 0.00 0.21 0.00 0.00 66.02 65.33 3hj3 s SER 7 CO -0.11 0.27 0.83 -0.63 0.41 0.00 0.00 173.24 174.01 3hj3 s ILE 8 N -0.32 4.52 -0.12 1.44 1.01 0.17 -0.51 121.20 127.39 3hj3 s ILE 8 Ca 0.01 1.79 0.02 0.00 0.00 0.00 0.00 60.65 62.48 3hj3 s ILE 8 Cb -0.12 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.17 3hj3 s ILE 8 CO 0.02 0.41 -0.20 -0.69 0.00 0.00 0.00 174.94 174.48 3hj3 s VAL 9 N -0.45 1.88 -0.05 2.92 1.01 -0.88 -0.57 120.40 124.25 3hj3 s VAL 9 Ca 0.40 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 3hj3 s VAL 9 Cb -0.22 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.53 3hj3 s VAL 9 CO 0.26 0.52 0.46 0.54 0.00 0.00 0.00 175.10 176.88 3hj3 s VAL 10 N 0.79 0.03 -0.16 2.92 0.11 -0.72 -4.60 120.40 118.77 3hj3 s VAL 10 Ca -0.09 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 58.71 3hj3 s VAL 10 Cb -0.16 -0.75 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 3hj3 s VAL 10 CO -0.00 -0.13 -0.13 0.00 -3.33 0.00 0.00 175.10 171.51 3hj3 s ALA 11 N -1.01 2.59 0.01 1.54 0.00 -1.26 -0.49 121.76 123.14 3hj3 s ALA 11 Ca -0.10 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.76 3hj3 s ALA 11 Cb -0.03 -1.31 -0.00 0.00 0.00 0.00 0.00 23.12 21.78 3hj3 s ALA 11 CO 0.05 -0.02 0.14 0.00 0.00 0.00 0.00 175.76 175.93 3hj3 s ALA 12 N 0.80 -0.30 0.38 0.00 0.00 0.97 -4.53 121.76 119.08 3hj3 s ALA 12 Ca -0.05 -0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.45 3hj3 s ALA 12 Cb -0.15 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 3hj3 s ALA 12 CO 0.01 -0.23 1.26 -1.54 0.00 0.00 0.00 175.76 175.25 3hj3 s SER 13 N -1.53 6.51 0.20 0.00 1.04 0.11 -1.00 113.70 119.03 3hj3 s SER 13 Ca -0.13 2.56 -0.11 0.00 0.48 0.00 0.00 55.95 58.75 3hj3 s SER 13 Cb -0.06 -2.63 0.14 0.00 0.10 0.00 0.00 66.02 63.56 3hj3 s SER 13 CO 0.01 -0.70 1.86 1.62 0.98 0.00 0.00 173.24 177.00 3hj3 h VAL 14 N 2.58 1.15 0.10 5.02 3.04 -1.47 -1.70 116.25 124.97 3hj3 h VAL 14 Ca -0.49 -0.31 -0.28 0.00 -1.01 0.00 0.00 66.70 64.61 3hj3 h VAL 14 Cb 1.24 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 3hj3 h VAL 14 CO 0.63 0.16 -1.49 -0.07 -1.01 0.00 0.00 177.57 175.80 3hj3 h LEU 15 N 0.89 0.33 -1.44 3.16 3.38 -1.90 -3.41 115.31 116.31 3hj3 h LEU 15 Ca 0.25 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3hj3 h LEU 15 Cb -0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3hj3 h LEU 15 CO -0.07 1.64 0.00 -1.54 0.09 0.00 0.00 178.44 178.56 3hj3 n SER 16 N -3.92 1.80 -2.93 -0.43 3.41 -1.24 -5.00 113.62 105.31 3hj3 n SER 16 Ca -0.27 -1.41 -0.20 0.00 -0.26 0.00 0.00 58.87 56.73 3hj3 n SER 16 Cb 0.89 -0.01 0.05 0.00 -0.26 0.00 0.00 64.21 64.89 3hj3 n SER 16 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hj3 n SER 17 N 0.48 -5.63 -4.72 4.04 7.64 -0.64 -4.85 113.62 109.94 3hj3 n SER 17 Ca 0.05 -0.38 -0.42 0.00 1.01 0.00 0.00 58.87 59.14 3hj3 n SER 17 Cb 0.23 -4.32 -0.03 0.00 -1.01 0.00 0.00 64.21 59.08 3hj3 n SER 17 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hj3 s GLY 18 N -3.08 1.96 0.00 0.23 0.00 -1.26 -1.31 107.32 103.86 3hj3 s GLY 18 Ca 0.41 1.15 0.00 0.00 0.00 0.00 0.00 44.72 46.28 3hj3 s GLY 18 CO 0.51 2.36 0.00 0.29 0.00 0.00 0.00 173.10 176.26 3hj3 n ILE 19 N 3.85 0.00 -3.56 0.90 -5.35 -0.77 -0.72 119.36 113.72 3hj3 n ILE 19 Ca 0.11 -0.27 -0.15 0.00 -0.27 0.00 0.00 62.75 62.18 3hj3 n ILE 19 Cb 0.42 0.94 -0.06 0.00 -1.74 0.00 0.00 39.64 39.20 3hj3 n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hj3 s GLY 20 N -0.64 -0.45 -0.09 3.28 0.00 -1.24 -4.45 107.32 103.73 3hj3 s GLY 20 Ca 0.00 1.74 -0.04 0.00 0.00 0.00 0.00 44.72 46.41 3hj3 s GLY 20 CO 0.00 1.18 0.21 -1.50 0.00 0.00 0.00 173.10 172.99 3hj3 s ILE 21 N -0.80 -0.08 -1.43 0.90 1.10 1.00 -0.96 121.20 120.93 3hj3 s ILE 21 Ca -0.06 0.18 -0.10 0.00 -0.51 0.00 0.00 60.65 60.16 3hj3 s ILE 21 Cb -0.01 -0.34 0.07 0.00 0.15 0.00 0.00 42.46 42.32 3hj3 s ILE 21 CO 0.05 0.07 0.67 0.59 -2.11 0.00 0.00 174.94 174.21 3hj3 n ASN 22 N 4.36 -4.46 0.00 4.50 3.02 -1.26 -2.22 115.26 119.21 3hj3 n ASN 22 Ca -0.23 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 3hj3 n ASN 22 Cb 0.52 -3.62 0.00 0.00 -0.61 0.00 0.00 39.78 36.07 3hj3 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hj3 n GLY 23 N -1.40 0.57 3.40 7.41 0.00 -1.26 -5.01 105.19 108.91 3hj3 n GLY 23 Ca -0.01 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 3hj3 n GLY 23 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hj3 s GLN 24 N -0.80 1.72 0.46 1.61 -0.21 -0.94 -4.70 119.66 116.80 3hj3 s GLN 24 Ca 0.00 -1.75 -0.19 0.00 0.02 0.00 0.00 55.36 53.45 3hj3 s GLN 24 Cb 0.00 0.39 -0.10 0.00 1.00 0.00 0.00 33.01 34.30 3hj3 s GLN 24 CO 0.00 -0.68 0.95 -0.51 -2.12 0.00 0.00 175.29 172.93 3hj3 s LEU 25 N -3.23 3.81 0.00 2.90 1.43 -1.26 -0.00 118.68 122.32 3hj3 s LEU 25 Ca 0.34 1.61 0.12 0.00 -1.03 0.00 0.00 54.13 55.16 3hj3 s LEU 25 Cb 0.01 -4.49 0.47 0.00 0.03 0.00 0.00 46.19 42.21 3hj3 s LEU 25 CO 0.20 -0.45 1.34 -2.65 0.23 0.00 0.00 176.35 175.02 3hj3 n PRO 26 N -1.03 1.52 -3.90 1.29 -0.02 -1.26 -4.65 135.00 126.94 3hj3 n PRO 26 Ca 0.07 -0.79 -0.09 0.00 -2.02 0.00 0.00 63.50 60.67 3hj3 n PRO 26 Cb 0.54 -1.25 -0.02 0.00 -0.02 0.00 0.00 33.50 32.75 3hj3 n PRO 26 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3hj3 s TRP 27 N -1.76 0.15 -0.34 6.00 -2.14 -1.26 -5.07 118.94 114.53 3hj3 s TRP 27 Ca 0.21 -0.62 -0.01 0.00 2.66 0.00 0.00 56.10 58.35 3hj3 s TRP 27 Cb 0.11 0.53 0.11 0.00 -3.10 0.00 0.00 33.47 31.13 3hj3 s TRP 27 CO 0.16 -1.25 0.15 0.45 -2.66 0.00 0.00 176.95 173.80 3hj3 s SER 28 N -3.01 3.64 -0.34 -2.66 0.15 -1.26 -5.08 113.70 105.14 3hj3 s SER 28 Ca 0.17 -1.84 0.00 0.00 0.70 0.00 0.00 55.95 54.98 3hj3 s SER 28 Cb -0.04 -0.69 0.11 0.00 -1.71 0.00 0.00 66.02 63.69 3hj3 s SER 28 CO 0.10 -0.37 0.12 -0.63 1.20 0.00 0.00 173.24 173.65 3hj3 s ILE 29 N 1.39 1.17 0.22 6.45 1.01 -1.26 -5.01 121.20 125.16 3hj3 s ILE 29 Ca 0.13 -1.75 0.24 0.00 0.00 0.00 0.00 60.65 59.27 3hj3 s ILE 29 Cb -0.19 -1.87 0.24 0.00 0.01 0.00 0.00 42.46 40.64 3hj3 s ILE 29 CO -0.18 -0.71 1.88 0.77 0.00 0.00 0.00 174.94 176.70 3hj3 h SER 30 N 7.76 0.00 -0.87 3.58 4.64 -1.99 -1.83 113.55 124.84 3hj3 h SER 30 Ca -0.10 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3hj3 h SER 30 Cb 1.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.03 3hj3 h SER 30 CO 0.48 0.22 0.57 -0.33 -0.87 0.00 0.00 176.83 176.89 3hj3 h GLU 31 N 0.00 0.98 -0.60 4.77 3.07 -1.98 0.35 114.58 121.17 3hj3 h GLU 31 Ca -0.00 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 3hj3 h GLU 31 Cb 0.66 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3hj3 h GLU 31 CO 0.03 0.65 0.14 0.22 -1.40 0.00 0.00 179.01 178.65 3hj3 h ASP 32 N 1.01 0.92 0.16 1.42 3.58 -1.76 0.41 116.42 122.16 3hj3 h ASP 32 Ca 0.36 -0.24 -0.11 0.00 0.42 0.00 0.00 57.03 57.46 3hj3 h ASP 32 Cb 0.14 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 3hj3 h ASP 32 CO -0.12 0.92 -0.40 -0.07 -2.88 0.00 0.00 179.24 176.69 3hj3 h LEU 33 N 0.88 0.34 -0.53 2.28 3.38 -1.26 0.14 115.31 120.54 3hj3 h LEU 33 Ca 0.19 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hj3 h LEU 33 Cb 0.37 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hj3 h LEU 33 CO 0.00 0.71 0.24 0.11 0.09 0.00 0.00 178.44 179.59 3hj3 h LYS 34 N 0.27 0.78 0.61 1.13 1.57 0.57 -1.56 116.57 119.93 3hj3 h LYS 34 Ca 0.03 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3hj3 h LYS 34 Cb 0.82 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.01 3hj3 h LYS 34 CO 0.07 0.66 -0.29 0.35 -0.57 0.00 0.00 179.45 179.66 3hj3 h PHE 35 N 0.72 -0.75 -0.85 -1.35 3.57 0.24 -0.54 116.94 117.97 3hj3 h PHE 35 Ca 0.18 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.81 3hj3 h PHE 35 Cb 0.15 0.25 -0.15 0.00 2.79 0.00 0.00 35.95 38.99 3hj3 h PHE 35 CO -0.00 -0.46 -0.34 0.35 -2.23 0.00 0.00 178.31 175.63 3hj3 h PHE 36 N -0.83 -0.91 -0.84 0.41 3.04 -0.72 0.11 116.94 117.19 3hj3 h PHE 36 Ca -0.08 0.09 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 3hj3 h PHE 36 Cb 0.63 0.53 -0.04 0.00 2.56 0.00 0.00 35.95 39.63 3hj3 h PHE 36 CO -0.03 -0.39 0.52 1.03 -2.02 0.00 0.00 178.31 177.42 3hj3 h SER 37 N -0.05 1.00 -0.33 0.41 0.87 -0.94 -1.11 113.55 113.40 3hj3 h SER 37 Ca 0.33 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.76 3hj3 h SER 37 Cb 0.59 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3hj3 h SER 37 CO -0.88 0.76 -0.08 0.11 -0.53 0.00 0.00 176.83 176.21 3hj3 h LYS 38 N 1.15 0.65 -0.27 2.24 1.79 0.79 -2.32 116.57 120.61 3hj3 h LYS 38 Ca 0.30 -0.25 -0.14 0.00 -2.18 0.00 0.00 60.65 58.39 3hj3 h LYS 38 Cb -0.07 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 3hj3 h LYS 38 CO -0.06 0.82 -0.40 0.97 -1.08 0.00 0.00 179.45 179.71 3hj3 h ILE 39 N 0.43 1.29 0.00 1.86 6.09 -0.97 -2.33 117.51 123.88 3hj3 h ILE 39 Ca 0.08 -1.56 0.00 0.00 -1.37 0.00 0.00 64.86 62.01 3hj3 h ILE 39 Cb 0.59 1.52 0.00 0.00 0.47 0.00 0.00 36.82 39.39 3hj3 h ILE 39 CO 0.03 0.50 -0.32 0.35 -3.07 0.00 0.00 178.15 175.64 3hj3 n THR 40 N -4.03 0.06 -0.07 2.19 -2.24 -0.43 -3.85 114.28 105.90 3hj3 n THR 40 Ca -0.02 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 3hj3 n THR 40 Cb 0.52 -0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.53 3hj3 n THR 40 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hj3 n ASN 41 N -1.59 1.03 -4.72 3.42 4.13 -0.87 -4.77 115.26 111.89 3hj3 n ASN 41 Ca 0.06 0.11 -0.64 0.00 1.68 0.00 0.00 54.58 55.79 3hj3 n ASN 41 Cb 0.35 0.09 -0.09 0.00 -1.54 0.00 0.00 39.78 38.59 3hj3 n ASN 41 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3hj3 n ASN 42 N -3.07 1.62 -3.54 6.41 5.15 -0.90 -4.88 115.26 116.07 3hj3 n ASN 42 Ca -0.31 1.13 -0.10 0.00 -0.60 0.00 0.00 54.58 54.70 3hj3 n ASN 42 Cb 1.08 -0.97 -0.04 0.00 -0.53 0.00 0.00 39.78 39.31 3hj3 n ASN 42 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3hj3 s LYS 43 N 3.32 0.73 -0.12 1.20 -2.85 -1.26 -4.96 119.74 115.80 3hj3 s LYS 43 Ca 1.03 -0.07 -0.11 0.00 -1.00 0.00 0.00 55.97 55.82 3hj3 s LYS 43 Cb -1.34 0.34 -0.10 0.00 -2.06 0.00 0.00 37.83 34.67 3hj3 s LYS 43 CO 0.76 -0.28 0.28 0.00 0.10 0.00 0.00 175.35 176.20 3hj3 s ASP 45 N -5.82 6.56 0.00 0.00 -1.08 -1.26 -4.89 116.67 110.18 3hj3 s ASP 45 Ca -0.08 0.30 0.04 0.00 -0.52 0.00 0.00 52.55 52.30 3hj3 s ASP 45 Cb -0.01 -2.54 0.23 0.00 -1.46 0.00 0.00 42.92 39.13 3hj3 s ASP 45 CO 0.26 -1.32 0.78 -1.20 0.52 0.00 0.00 175.17 174.21 3hj3 n SER 46 N 8.01 0.00 -0.54 -0.34 7.64 -1.26 -1.41 113.62 125.71 3hj3 n SER 46 Ca 0.10 -0.03 0.08 0.00 1.01 0.00 0.00 58.87 60.04 3hj3 n SER 46 Cb 0.49 -0.08 0.04 0.00 -1.01 0.00 0.00 64.21 63.65 3hj3 n SER 46 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hj3 n ASN 47 N -1.08 2.06 -4.75 6.43 3.02 -1.26 -4.97 115.26 114.72 3hj3 n ASN 47 Ca 0.03 -1.53 -0.27 0.00 -0.03 0.00 0.00 54.58 52.77 3hj3 n ASN 47 Cb 0.02 0.20 -0.07 0.00 -0.61 0.00 0.00 39.78 39.31 3hj3 n ASN 47 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hj3 s LYS 48 N -1.59 2.17 0.18 3.52 1.02 -0.50 -4.88 119.74 119.65 3hj3 s LYS 48 Ca 0.17 -2.05 0.03 0.00 0.02 0.00 0.00 55.97 54.14 3hj3 s LYS 48 Cb 0.13 -1.83 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 3hj3 s LYS 48 CO 0.29 -0.23 -0.02 0.15 -0.92 0.00 0.00 175.35 174.61 3hj3 s LYS 49 N -3.92 1.15 0.19 1.68 1.02 0.15 -4.89 119.74 115.11 3hj3 s LYS 49 Ca 0.31 -1.55 -0.05 0.00 0.02 0.00 0.00 55.97 54.70 3hj3 s LYS 49 Cb 0.04 -0.41 -0.06 0.00 -0.52 0.00 0.00 37.83 36.88 3hj3 s LYS 49 CO 0.17 -0.08 0.44 -0.80 -0.92 0.00 0.00 175.35 174.16 3hj3 s ASN 50 N -3.20 6.50 -0.13 2.83 0.01 -1.26 -1.15 114.94 118.55 3hj3 s ASN 50 Ca 0.23 0.66 0.00 0.00 -0.71 0.00 0.00 52.86 53.05 3hj3 s ASN 50 Cb 0.05 -2.12 -0.01 0.00 0.41 0.00 0.00 41.25 39.58 3hj3 s ASN 50 CO 0.04 -0.02 -0.15 0.00 -1.51 0.00 0.00 177.10 175.47 3hj3 s ALA 51 N -1.77 2.56 -0.21 0.60 0.00 -0.83 -1.36 121.76 120.75 3hj3 s ALA 51 Ca 0.43 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.41 3hj3 s ALA 51 Cb -0.12 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 3hj3 s ALA 51 CO 0.25 0.25 0.07 -0.51 0.00 0.00 0.00 175.76 175.82 3hj3 s LEU 52 N 0.35 3.71 -0.15 0.00 1.43 -0.26 -1.28 118.68 122.49 3hj3 s LEU 52 Ca -0.12 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 3hj3 s LEU 52 Cb -0.16 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3hj3 s LEU 52 CO 0.06 0.10 0.13 -0.63 0.23 0.00 0.00 176.35 176.24 3hj3 s ILE 53 N 0.80 5.38 -0.02 -0.59 1.01 0.14 0.01 121.20 127.93 3hj3 s ILE 53 Ca 0.04 0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.71 3hj3 s ILE 53 Cb -0.13 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 38.97 3hj3 s ILE 53 CO 0.02 0.55 0.32 0.00 0.00 0.00 0.00 174.94 175.83 3hj3 s MET 54 N -0.45 0.66 0.60 2.79 0.23 -0.07 0.84 119.30 123.90 3hj3 s MET 54 Ca 0.12 -0.14 -0.19 0.00 -1.03 0.00 0.00 55.69 54.45 3hj3 s MET 54 Cb -0.12 0.30 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 3hj3 s MET 54 CO 0.02 -0.18 1.23 0.20 -2.03 0.00 0.00 175.02 174.25 3hj3 s GLY 55 N -1.23 2.77 0.30 3.16 0.00 -0.90 -1.63 107.32 109.78 3hj3 s GLY 55 Ca -0.13 1.06 0.04 0.00 0.00 0.00 0.00 44.72 45.69 3hj3 s GLY 55 CO 0.04 1.46 1.65 -0.09 0.00 0.00 0.00 173.10 176.16 3hj3 h ARG 56 N 0.83 0.22 -0.23 2.90 2.43 -1.86 -0.60 114.38 118.08 3hj3 h ARG 56 Ca -0.51 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.53 3hj3 h ARG 56 Cb 1.31 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 3hj3 h ARG 56 CO 0.55 0.15 -0.36 0.87 -1.51 0.00 0.00 179.97 179.66 3hj3 h LYS 57 N 0.23 0.50 -0.45 0.20 1.57 -1.91 0.31 116.57 117.02 3hj3 h LYS 57 Ca 0.59 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 59.09 3hj3 h LYS 57 Cb 1.22 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 3hj3 h LYS 57 CO -0.65 0.79 0.11 1.15 -0.57 0.00 0.00 179.45 180.29 3hj3 h THR 58 N 0.42 1.23 -0.91 -0.16 2.02 -1.49 0.11 112.91 114.14 3hj3 h THR 58 Ca 0.04 -0.80 0.05 0.00 0.77 0.00 0.00 66.41 66.47 3hj3 h THR 58 Cb 0.83 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 3hj3 h THR 58 CO 0.07 0.28 0.58 -0.25 0.37 0.00 0.00 175.52 176.58 3hj3 h TRP 59 N 0.59 1.09 -0.60 3.16 -0.00 -0.55 -1.01 115.95 118.63 3hj3 h TRP 59 Ca 0.14 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 59.08 3hj3 h TRP 59 Cb 0.31 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.16 29.08 3hj3 h TRP 59 CO 0.02 0.59 0.38 -0.44 -0.00 0.00 0.00 178.44 178.98 3hj3 h ASP 60 N 1.09 0.63 -0.91 2.65 3.32 0.25 -1.90 116.42 121.55 3hj3 h ASP 60 Ca 0.38 -0.00 0.25 0.00 0.02 0.00 0.00 57.03 57.67 3hj3 h ASP 60 Cb 0.09 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 3hj3 h ASP 60 CO -0.15 0.45 0.64 0.28 -1.72 0.00 0.00 179.24 178.73 3hj3 h SER 61 N 0.75 0.15 -0.54 6.45 0.02 0.54 -1.03 113.55 119.90 3hj3 h SER 61 Ca 0.23 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3hj3 h SER 61 Cb -0.02 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3hj3 h SER 61 CO -0.08 0.05 0.00 2.30 -1.14 0.00 0.00 176.83 177.96 3hj3 n ILE 62 N -4.36 1.55 -0.80 3.27 -5.35 -0.93 -4.92 119.36 107.82 3hj3 n ILE 62 Ca 0.19 -1.21 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 3hj3 n ILE 62 Cb 0.89 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 3hj3 n ILE 62 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hj3 n GLY 63 N 0.85 0.71 3.62 3.28 0.00 -0.39 -3.93 105.19 109.33 3hj3 n GLY 63 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 3hj3 n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hj3 n ARG 64 N -2.50 -7.39 -4.86 1.61 1.74 -0.75 -5.02 116.66 99.49 3hj3 n ARG 64 Ca 0.00 0.80 -0.28 0.00 -0.77 0.00 0.00 57.85 57.59 3hj3 n ARG 64 Cb 0.00 -5.81 -0.15 0.00 -1.02 0.00 0.00 32.46 25.48 3hj3 n ARG 64 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hj3 s ARG 65 N -6.22 1.68 0.74 5.56 0.52 -1.25 -5.13 118.95 114.86 3hj3 s ARG 65 Ca 0.50 -1.02 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 3hj3 s ARG 65 Cb -0.23 -1.80 0.04 0.00 0.52 0.00 0.00 34.95 33.48 3hj3 s ARG 65 CO 0.75 0.47 1.08 -1.25 0.02 0.00 0.00 175.30 176.37 3hj3 s PRO 66 N -1.11 2.56 -0.18 3.54 0.05 -1.26 -5.01 135.00 133.59 3hj3 s PRO 66 Ca 0.10 0.73 -0.14 0.00 0.05 0.00 0.00 61.00 61.75 3hj3 s PRO 66 Cb -0.09 -1.96 -0.05 0.00 0.05 0.00 0.00 34.50 32.45 3hj3 s PRO 66 CO 0.02 -1.31 0.29 -0.51 0.05 0.00 0.00 177.00 175.53 3hj3 s LEU 67 N -5.61 4.21 0.10 -3.56 1.43 -1.26 -5.03 118.68 108.95 3hj3 s LEU 67 Ca 0.59 0.45 -0.36 0.00 -1.03 0.00 0.00 54.13 53.78 3hj3 s LEU 67 Cb -0.14 -2.35 -0.17 0.00 0.03 0.00 0.00 46.19 43.56 3hj3 s LEU 67 CO 0.54 0.07 1.15 1.17 0.23 0.00 0.00 176.35 179.50 3hj3 n LYS 68 N 3.83 0.76 -0.92 1.70 4.81 -1.26 -2.57 118.16 124.51 3hj3 n LYS 68 Ca -0.12 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 3hj3 n LYS 68 Cb 0.52 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.79 3hj3 n LYS 68 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3hj3 n ASN 69 N 2.04 -1.34 -4.34 3.14 3.02 -1.26 -4.93 115.26 111.58 3hj3 n ASN 69 Ca 0.18 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.55 3hj3 n ASN 69 Cb 0.18 -0.86 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 3hj3 n ASN 69 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hj3 s ARG 70 N -0.34 1.45 -0.24 3.52 0.52 -1.06 -4.50 118.95 118.30 3hj3 s ARG 70 Ca 0.00 -1.79 -0.01 0.00 -0.52 0.00 0.00 55.73 53.41 3hj3 s ARG 70 Cb 0.00 -0.39 0.03 0.00 0.52 0.00 0.00 34.95 35.10 3hj3 s ARG 70 CO 0.00 -0.27 -0.08 0.42 0.02 0.00 0.00 175.30 175.40 3hj3 s ILE 71 N -3.65 2.77 0.03 1.52 1.01 -0.46 -4.62 121.20 117.79 3hj3 s ILE 71 Ca 0.37 -1.04 -0.28 0.00 0.00 0.00 0.00 60.65 59.70 3hj3 s ILE 71 Cb 0.08 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 3hj3 s ILE 71 CO 0.14 0.22 0.90 -0.63 0.00 0.00 0.00 174.94 175.57 3hj3 s ILE 72 N 1.31 4.76 -0.24 2.92 1.01 -0.34 -1.10 121.20 129.52 3hj3 s ILE 72 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 60.65 62.57 3hj3 s ILE 72 Cb -0.16 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.09 3hj3 s ILE 72 CO -0.05 0.25 -0.10 -0.69 0.00 0.00 0.00 174.94 174.35 3hj3 s VAL 73 N 0.51 2.49 -0.24 2.92 1.01 0.10 -1.45 120.40 125.74 3hj3 s VAL 73 Ca 0.46 -1.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3hj3 s VAL 73 Cb -0.21 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3hj3 s VAL 73 CO 0.26 0.16 0.18 -0.69 0.00 0.00 0.00 175.10 175.01 3hj3 s VAL 74 N 1.24 5.35 -0.45 2.92 1.01 -0.02 -0.89 120.40 129.55 3hj3 s VAL 74 Ca -0.02 0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 3hj3 s VAL 74 Cb -0.17 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.72 3hj3 s VAL 74 CO -0.06 0.33 0.62 -0.63 0.00 0.00 0.00 175.10 175.37 3hj3 s ILE 75 N 1.12 4.85 0.04 2.22 1.09 -0.65 -0.74 121.20 129.12 3hj3 s ILE 75 Ca 0.08 -0.03 -0.05 0.00 -1.10 0.00 0.00 60.65 59.55 3hj3 s ILE 75 Cb -0.14 -4.21 -0.01 0.00 -1.06 0.00 0.00 42.46 37.04 3hj3 s ILE 75 CO 0.05 -0.62 0.09 -0.55 -0.10 0.00 0.00 174.94 173.80 3hj3 s SER 76 N 2.11 0.19 0.26 3.58 0.15 -0.80 -2.58 113.70 116.61 3hj3 s SER 76 Ca 0.20 -0.54 0.14 0.00 0.70 0.00 0.00 55.95 56.45 3hj3 s SER 76 Cb -0.15 0.22 0.12 0.00 -1.71 0.00 0.00 66.02 64.50 3hj3 s SER 76 CO 0.17 -0.50 1.46 0.77 1.20 0.00 0.00 173.24 176.34 3hj3 h SER 77 N 3.69 0.00 0.00 5.45 4.64 -1.84 -3.34 113.55 122.15 3hj3 h SER 77 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3hj3 h SER 77 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3hj3 h SER 77 CO 0.50 0.58 -0.70 -1.54 -0.87 0.00 0.00 176.83 174.80 3hj3 n SER 78 N -3.31 3.17 -4.63 4.97 3.41 -1.26 -5.00 113.62 110.97 3hj3 n SER 78 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.23 3hj3 n SER 78 Cb 0.74 0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.90 3hj3 n SER 78 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hj3 n LEU 79 N -1.87 3.40 -4.79 1.04 4.77 -1.26 -4.94 117.00 113.34 3hj3 n LEU 79 Ca 0.00 0.94 -0.36 0.00 -0.03 0.00 0.00 56.01 56.57 3hj3 n LEU 79 Cb 0.35 -1.40 -0.06 0.00 -2.33 0.00 0.00 43.42 39.98 3hj3 n LEU 79 CO 0.00 -1.49 0.68 -2.84 -1.33 0.00 0.00 177.39 172.41 3hj3 s PRO 80 N -2.40 4.33 -1.27 3.23 0.02 -1.26 -4.98 135.00 132.67 3hj3 s PRO 80 Ca 0.69 1.33 -0.10 0.00 0.02 0.00 0.00 61.00 62.93 3hj3 s PRO 80 Cb -0.48 -2.52 0.17 0.00 0.02 0.00 0.00 34.50 31.68 3hj3 s PRO 80 CO 0.53 0.04 1.84 1.04 -0.33 0.00 0.00 177.00 180.11 3hj3 n GLN 81 N -0.02 3.61 -3.79 5.54 3.00 -1.26 -4.72 117.38 119.73 3hj3 n GLN 81 Ca 0.05 -3.56 -0.36 0.00 -0.01 0.00 0.00 57.00 53.11 3hj3 n GLN 81 Cb 0.51 -2.93 -0.13 0.00 0.00 0.00 0.00 30.24 27.69 3hj3 n GLN 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3hj3 s ASP 82 N 1.00 4.97 0.00 1.08 -0.00 -1.26 -4.98 116.67 117.48 3hj3 s ASP 82 Ca 0.40 -0.24 0.00 0.00 -0.00 0.00 0.00 52.55 52.71 3hj3 s ASP 82 Cb 0.09 -1.89 0.00 0.00 -0.00 0.00 0.00 42.92 41.12 3hj3 s ASP 82 CO 0.01 -0.03 0.36 -1.84 -0.00 0.00 0.00 175.17 173.67 3hj3 n GLU 83 N 4.87 0.00 -0.12 8.23 0.28 -1.26 -3.95 120.64 128.69 3hj3 n GLU 83 Ca -0.17 0.01 -0.11 0.00 -0.16 0.00 0.00 57.16 56.73 3hj3 n GLU 83 Cb 0.51 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.80 3hj3 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hj3 h ALA 84 N 1.42 -0.67 -2.61 -1.84 0.00 -1.94 -3.38 119.26 110.23 3hj3 h ALA 84 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.28 3hj3 h ALA 84 Cb 0.01 1.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 3hj3 h ALA 84 CO 0.00 -0.89 -0.16 0.34 0.00 0.00 0.00 179.25 178.55 3hj3 s ASP 85 N -4.57 6.29 0.11 0.00 -1.08 -1.25 -4.93 116.67 111.23 3hj3 s ASP 85 Ca -0.11 0.17 0.25 0.00 -0.52 0.00 0.00 52.55 52.34 3hj3 s ASP 85 Cb 0.07 -2.24 0.97 0.00 -1.46 0.00 0.00 42.92 40.26 3hj3 s ASP 85 CO 0.48 -0.30 1.78 -0.81 0.52 0.00 0.00 175.17 176.84 3hj3 n PRO 86 N 5.48 0.12 -0.35 4.34 -0.04 -1.26 -3.42 135.00 139.86 3hj3 n PRO 86 Ca -0.07 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 3hj3 n PRO 86 Cb 0.50 -1.65 0.30 0.00 -0.04 0.00 0.00 33.50 32.60 3hj3 n PRO 86 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hj3 n ASN 87 N -1.86 3.63 -3.68 3.54 3.02 -1.26 -4.83 115.26 113.82 3hj3 n ASN 87 Ca 0.05 -2.02 -0.13 0.00 -0.03 0.00 0.00 54.58 52.45 3hj3 n ASN 87 Cb 0.33 -0.45 -0.13 0.00 -0.61 0.00 0.00 39.78 38.92 3hj3 n ASN 87 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hj3 s VAL 88 N -1.14 -0.31 -0.03 2.41 1.01 -1.22 -1.20 120.40 119.92 3hj3 s VAL 88 Ca 0.45 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.72 3hj3 s VAL 88 Cb 0.24 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 3hj3 s VAL 88 CO 0.30 0.10 -0.18 0.54 0.00 0.00 0.00 175.10 175.86 3hj3 s VAL 89 N 2.09 1.47 -0.09 2.92 0.11 -0.53 -4.69 120.40 121.69 3hj3 s VAL 89 Ca -0.02 -0.77 -0.08 0.00 -2.93 0.00 0.00 61.98 58.18 3hj3 s VAL 89 Cb -0.12 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 3hj3 s VAL 89 CO -0.09 0.42 0.19 -0.69 -3.33 0.00 0.00 175.10 171.60 3hj3 s VAL 90 N -0.23 5.43 0.04 2.04 1.01 -1.26 -0.84 120.40 126.59 3hj3 s VAL 90 Ca 0.02 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.31 3hj3 s VAL 90 Cb -0.09 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3hj3 s VAL 90 CO 0.01 0.57 -0.14 -0.36 0.00 0.00 0.00 175.10 175.18 3hj3 s PHE 91 N -1.08 1.18 -1.03 5.22 0.08 0.08 -4.89 117.98 117.53 3hj3 s PHE 91 Ca 0.18 -0.37 0.28 0.00 0.12 0.00 0.00 56.93 57.14 3hj3 s PHE 91 Cb -0.13 -0.69 1.23 0.00 -0.57 0.00 0.00 43.02 42.86 3hj3 s PHE 91 CO 0.07 0.03 1.92 0.54 -0.10 0.00 0.00 175.22 177.68 3hj3 n ARG 92 N 1.79 0.03 -3.56 0.44 5.12 -1.25 -1.90 116.66 117.33 3hj3 n ARG 92 Ca -0.19 0.01 -0.16 0.00 -1.93 0.00 0.00 57.85 55.59 3hj3 n ARG 92 Cb 0.55 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.28 3hj3 n ARG 92 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hj3 s ASN 93 N -2.97 -0.65 0.18 0.55 4.22 -1.26 -4.67 114.94 110.34 3hj3 s ASN 93 Ca 0.15 0.89 -0.14 0.00 -2.14 0.00 0.00 52.86 51.61 3hj3 s ASN 93 Cb 0.19 0.77 0.15 0.00 1.28 0.00 0.00 41.25 43.64 3hj3 s ASN 93 CO 0.51 -0.48 1.72 0.25 -2.04 0.00 0.00 177.10 177.06 3hj3 h LEU 94 N 3.52 0.00 -0.72 3.54 5.85 -1.97 -2.77 115.31 122.76 3hj3 h LEU 94 Ca -0.27 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.63 3hj3 h LEU 94 Cb 1.15 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.21 3hj3 h LEU 94 CO 0.29 0.03 0.34 -0.08 -0.34 0.00 0.00 178.44 178.68 3hj3 h GLU 95 N 0.22 0.55 -0.59 1.25 4.81 -1.97 -1.12 114.58 117.73 3hj3 h GLU 95 Ca 0.22 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 3hj3 h GLU 95 Cb 0.28 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3hj3 h GLU 95 CO -0.29 0.37 0.09 -0.44 -0.73 0.00 0.00 179.01 178.00 3hj3 h ASP 96 N 0.57 0.95 0.05 1.04 3.32 -1.94 -3.19 116.42 117.22 3hj3 h ASP 96 Ca 0.37 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3hj3 h ASP 96 Cb 0.43 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3hj3 h ASP 96 CO -0.30 0.97 -0.02 0.77 -1.72 0.00 0.00 179.24 178.94 3hj3 h SER 97 N 0.88 -0.06 -1.26 6.45 4.64 -0.97 -3.32 113.55 119.91 3hj3 h SER 97 Ca 0.18 -0.01 -0.68 0.00 -0.47 0.00 0.00 61.79 60.81 3hj3 h SER 97 Cb 0.44 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3hj3 h SER 97 CO 0.01 -0.03 1.30 -0.38 -0.87 0.00 0.00 176.83 176.87 3hj3 n ILE 98 N -5.11 0.25 0.00 0.95 2.08 -0.55 0.65 119.36 117.62 3hj3 n ILE 98 Ca -0.08 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 63.03 3hj3 n ILE 98 Cb 0.06 -1.60 0.00 0.00 -0.75 0.00 0.00 39.64 37.36 3hj3 n ILE 98 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 3hj3 n GLU 99 N 7.58 0.00 0.15 0.38 -0.00 -1.25 -4.81 120.64 122.69 3hj3 n GLU 99 Ca 0.37 0.00 0.12 0.00 -0.00 0.00 0.00 57.16 57.64 3hj3 n GLU 99 Cb 0.22 0.00 0.26 0.00 -0.00 0.00 0.00 31.44 31.92 3hj3 n GLU 99 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 3hj3 h ASN 100 N 2.00 0.00 0.21 -1.84 2.35 -0.02 -1.16 115.58 117.11 3hj3 h ASN 100 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 3hj3 h ASN 100 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3hj3 h ASN 100 CO 0.00 0.00 -1.01 -0.07 -1.65 0.00 0.00 177.43 174.70 3hj3 h LEU 101 N 0.00 0.69 0.00 1.61 3.38 -1.88 -3.38 115.31 115.72 3hj3 h LEU 101 Ca 0.16 -0.56 -0.21 0.00 0.09 0.00 0.00 57.88 57.37 3hj3 h LEU 101 Cb 2.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 3hj3 h LEU 101 CO -0.00 1.37 -1.73 0.23 0.09 0.00 0.00 178.44 178.40 3hj3 n MET 102 N -3.78 0.30 -0.80 1.13 0.00 -1.16 -4.91 117.12 107.90 3hj3 n MET 102 Ca -0.09 0.10 -0.34 0.00 0.00 0.00 0.00 57.70 57.37 3hj3 n MET 102 Cb 0.87 -1.11 0.12 0.00 0.00 0.00 0.00 33.22 33.10 3hj3 n MET 102 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 3hj3 n ASN 103 N -3.24 -2.82 -3.68 7.83 2.04 -0.45 -4.07 115.26 110.86 3hj3 n ASN 103 Ca -0.24 0.13 -0.27 0.00 -0.44 0.00 0.00 54.58 53.75 3hj3 n ASN 103 Cb 0.71 -1.00 0.01 0.00 -2.53 0.00 0.00 39.78 36.97 3hj3 n ASN 103 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 3hj3 n ASP 104 N -0.32 -4.74 -0.39 0.53 9.92 -1.26 -4.65 116.55 115.64 3hj3 n ASP 104 Ca 0.03 -0.77 0.38 0.00 -0.53 0.00 0.00 54.79 53.90 3hj3 n ASP 104 Cb 0.59 -1.53 0.69 0.00 -0.64 0.00 0.00 41.12 40.23 3hj3 n ASP 104 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 3hj3 h ASP 105 N 0.27 0.00 0.06 -2.24 3.58 -1.89 1.67 116.42 117.88 3hj3 h ASP 105 Ca -0.61 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.84 3hj3 h ASP 105 Cb 1.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.41 3hj3 h ASP 105 CO 0.32 0.00 0.00 0.77 -2.88 0.00 0.00 179.24 177.45 3hj3 h SER 106 N 0.00 0.00 -3.64 2.28 4.64 -1.90 -3.42 113.55 111.52 3hj3 h SER 106 Ca 0.64 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 61.32 3hj3 h SER 106 Cb 2.90 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 64.84 3hj3 h SER 106 CO -0.01 0.00 -0.13 -0.63 -0.87 0.00 0.00 176.83 175.19 3hj3 s ILE 107 N -3.85 5.09 -0.06 0.95 1.09 0.57 0.30 121.20 125.28 3hj3 s ILE 107 Ca -0.03 0.42 -0.00 0.00 -1.10 0.00 0.00 60.65 59.94 3hj3 s ILE 107 Cb 0.10 -3.86 -0.00 0.00 -1.06 0.00 0.00 42.46 37.64 3hj3 s ILE 107 CO 0.32 -0.06 -0.01 -0.08 -0.10 0.00 0.00 174.94 175.01 3hj3 h GLU 108 N 8.33 0.00 -6.27 2.79 4.81 -1.38 -3.47 114.58 119.37 3hj3 h GLU 108 Ca -0.29 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.33 3hj3 h GLU 108 Cb 1.14 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.36 3hj3 h GLU 108 CO 0.72 0.00 -0.78 -0.80 -0.73 0.00 0.00 179.01 177.42 3hj3 s ASN 109 N -4.52 3.43 -0.08 1.04 0.01 -1.26 -4.43 114.94 109.13 3hj3 s ASN 109 Ca -0.00 -0.97 0.04 0.00 -0.71 0.00 0.00 52.86 51.22 3hj3 s ASN 109 Cb 0.00 -0.27 -0.00 0.00 0.41 0.00 0.00 41.25 41.39 3hj3 s ASN 109 CO 0.01 0.05 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.80 3hj3 s ILE 110 N -2.26 1.85 -0.09 0.60 1.01 -0.12 -1.97 121.20 120.21 3hj3 s ILE 110 Ca 0.26 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3hj3 s ILE 110 Cb -0.06 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.83 3hj3 s ILE 110 CO 0.12 0.52 -0.19 -0.36 0.00 0.00 0.00 174.94 175.03 3hj3 s PHE 111 N 0.21 2.14 -0.39 3.97 0.08 -0.40 -0.21 117.98 123.38 3hj3 s PHE 111 Ca -0.12 -0.90 -0.20 0.00 0.12 0.00 0.00 56.93 55.82 3hj3 s PHE 111 Cb -0.16 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 40.82 3hj3 s PHE 111 CO 0.06 -0.40 0.63 0.08 -0.10 0.00 0.00 175.22 175.49 3hj3 s VAL 112 N 0.58 4.87 -0.81 -0.44 1.01 0.34 0.29 120.40 126.24 3hj3 s VAL 112 Ca -0.15 0.39 0.18 0.00 0.00 0.00 0.00 61.98 62.41 3hj3 s VAL 112 Cb -0.17 -4.12 -0.20 0.00 0.00 0.00 0.00 36.38 31.89 3hj3 s VAL 112 CO 0.05 -0.42 0.75 0.00 0.00 0.00 0.00 175.10 175.48 3hj3 n GLY 114 N 1.43 0.34 0.21 0.00 0.00 -1.21 -4.90 105.19 101.06 3hj3 n GLY 114 Ca 0.03 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3hj3 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hj3 n GLY 115 N 0.00 -3.44 0.25 -0.02 0.00 -1.26 -2.13 105.19 98.60 3hj3 n GLY 115 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 45.08 3hj3 n GLY 115 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hj3 h GLU 116 N 0.32 0.37 -0.16 1.61 4.81 -1.98 -1.58 114.58 117.96 3hj3 h GLU 116 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3hj3 h GLU 116 Cb 0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3hj3 h GLU 116 CO 0.00 0.24 -0.08 0.66 -0.73 0.00 0.00 179.01 179.11 3hj3 h SER 117 N 0.38 0.23 0.82 1.04 4.64 -1.91 0.49 113.55 119.24 3hj3 h SER 117 Ca 0.35 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.46 3hj3 h SER 117 Cb 0.50 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 3hj3 h SER 117 CO -0.37 0.34 -0.82 0.40 -0.87 0.00 0.00 176.83 175.51 3hj3 h ILE 118 N 0.24 1.59 -0.07 0.95 1.08 -1.66 -2.62 117.51 117.02 3hj3 h ILE 118 Ca 0.05 -2.81 -0.15 0.00 -0.39 0.00 0.00 64.86 61.56 3hj3 h ILE 118 Cb 0.30 2.52 0.01 0.00 -3.07 0.00 0.00 36.82 36.57 3hj3 h ILE 118 CO 0.01 0.80 -0.54 1.88 -0.69 0.00 0.00 178.15 179.62 3hj3 h TYR 119 N 0.00 0.68 -0.70 1.37 0.05 -0.22 -1.82 116.97 116.33 3hj3 h TYR 119 Ca -0.01 -0.32 -0.07 0.00 0.05 0.00 0.00 58.73 58.38 3hj3 h TYR 119 Cb 1.45 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 39.07 3hj3 h TYR 119 CO 0.00 1.11 0.16 -0.09 -1.05 0.00 0.00 178.16 178.29 3hj3 h ARG 120 N 0.06 1.12 -0.09 4.88 2.43 -0.11 -1.75 114.38 120.92 3hj3 h ARG 120 Ca -0.05 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 3hj3 h ARG 120 Cb 1.20 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3hj3 h ARG 120 CO 0.11 0.99 0.00 -0.44 -1.51 0.00 0.00 179.97 179.12 3hj3 h ASP 121 N 1.06 0.15 -0.30 -3.80 3.45 -1.48 0.26 116.42 115.76 3hj3 h ASP 121 Ca 0.22 -0.31 0.04 0.00 0.43 0.00 0.00 57.03 57.41 3hj3 h ASP 121 Cb 0.38 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.08 3hj3 h ASP 121 CO 0.00 0.42 0.09 0.00 -1.57 0.00 0.00 179.24 178.19 3hj3 h ALA 122 N 0.73 0.34 -0.05 3.45 0.00 -1.00 -0.97 119.26 121.76 3hj3 h ALA 122 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hj3 h ALA 122 Cb 0.34 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hj3 h ALA 122 CO 0.00 -0.31 0.00 -0.07 0.00 0.00 0.00 179.25 178.88 3hj3 h LEU 123 N 0.22 0.09 -0.96 0.00 4.07 -1.34 -0.99 115.31 116.40 3hj3 h LEU 123 Ca 0.14 -0.28 0.02 0.00 0.08 0.00 0.00 57.88 57.84 3hj3 h LEU 123 Cb 0.12 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.78 3hj3 h LEU 123 CO -0.15 0.35 0.63 0.50 -1.08 0.00 0.00 178.44 178.69 3hj3 h LYS 124 N -0.18 1.21 -0.54 1.13 3.64 -0.77 -1.05 116.57 120.01 3hj3 h LYS 124 Ca 0.02 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hj3 h LYS 124 Cb 0.30 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3hj3 h LYS 124 CO 0.00 0.80 0.00 -0.25 -2.27 0.00 0.00 179.45 177.73 3hj3 n ASP 125 N -4.45 2.48 -3.98 4.20 10.43 -0.38 -4.92 116.55 119.92 3hj3 n ASP 125 Ca 0.12 -2.19 -0.30 0.00 2.57 0.00 0.00 54.79 54.99 3hj3 n ASP 125 Cb 0.06 -0.39 -0.02 0.00 1.84 0.00 0.00 41.12 42.61 3hj3 n ASP 125 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3hj3 n ASN 126 N 0.44 -1.53 0.04 -2.24 4.05 -0.40 -4.85 115.26 110.77 3hj3 n ASN 126 Ca 0.12 -1.10 0.11 0.00 0.45 0.00 0.00 54.58 54.17 3hj3 n ASN 126 Cb 0.47 -2.67 0.07 0.00 1.23 0.00 0.00 39.78 38.88 3hj3 n ASN 126 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 3hj3 n PHE 127 N -4.48 0.36 -5.00 1.20 0.99 -0.41 -5.00 117.46 105.12 3hj3 n PHE 127 Ca -0.25 0.10 -0.28 0.00 -0.00 0.00 0.00 57.45 57.03 3hj3 n PHE 127 Cb 0.65 -0.51 -0.16 0.00 -1.00 0.00 0.00 39.48 38.46 3hj3 n PHE 127 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3hj3 s VAL 128 N -3.19 1.65 -0.24 -4.37 0.11 -1.26 -4.78 120.40 108.31 3hj3 s VAL 128 Ca 0.04 -0.86 0.05 0.00 -2.93 0.00 0.00 61.98 58.28 3hj3 s VAL 128 Cb 0.14 -1.39 -0.19 0.00 -1.53 0.00 0.00 36.38 33.41 3hj3 s VAL 128 CO 0.78 0.47 -0.13 0.47 -3.33 0.00 0.00 175.10 173.35 3hj3 n ASP 129 N 2.84 1.61 -4.07 3.54 9.92 -0.37 -4.84 116.55 125.18 3hj3 n ASP 129 Ca -0.17 -0.09 -0.12 0.00 -0.53 0.00 0.00 54.79 53.89 3hj3 n ASP 129 Cb 0.53 -0.17 -0.11 0.00 -0.64 0.00 0.00 41.12 40.72 3hj3 n ASP 129 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3hj3 s ARG 130 N -2.52 0.55 -0.13 -1.24 3.52 -1.18 -0.00 118.95 117.95 3hj3 s ARG 130 Ca -0.29 -0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 54.46 3hj3 s ARG 130 Cb 0.08 -0.22 0.03 0.00 -1.56 0.00 0.00 34.95 33.29 3hj3 s ARG 130 CO 0.65 0.02 -0.08 0.42 -0.81 0.00 0.00 175.30 175.51 3hj3 s ILE 131 N -1.82 1.12 -0.34 4.11 1.01 0.21 -0.66 121.20 124.83 3hj3 s ILE 131 Ca -0.07 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 3hj3 s ILE 131 Cb -0.07 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 3hj3 s ILE 131 CO -0.01 0.32 0.58 -0.31 0.00 0.00 0.00 174.94 175.52 3hj3 s TYR 132 N 1.66 3.18 -0.11 3.97 1.51 0.26 -0.94 117.35 126.88 3hj3 s TYR 132 Ca 0.04 0.34 0.03 0.00 -1.01 0.00 0.00 57.07 56.47 3hj3 s TYR 132 Cb -0.13 -3.01 0.00 0.00 -0.11 0.00 0.00 41.96 38.71 3hj3 s TYR 132 CO -0.08 -0.55 -0.22 -1.17 -1.11 0.00 0.00 175.55 172.41 3hj3 s LEU 133 N 2.55 2.05 -0.28 -1.29 0.20 0.59 -1.75 118.68 120.76 3hj3 s LEU 133 Ca 0.22 -0.55 -0.09 0.00 0.69 0.00 0.00 54.13 54.40 3hj3 s LEU 133 Cb -0.15 -1.36 -0.03 0.00 -0.43 0.00 0.00 46.19 44.22 3hj3 s LEU 133 CO 0.13 0.12 0.13 -0.89 -0.29 0.00 0.00 176.35 175.56 3hj3 s THR 134 N 0.53 4.72 -0.25 3.68 2.01 0.35 -0.55 115.64 126.12 3hj3 s THR 134 Ca -0.15 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 3hj3 s THR 134 Cb -0.17 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 3hj3 s THR 134 CO 0.05 0.23 0.38 -0.13 -0.69 0.00 0.00 174.62 174.46 3hj3 s ARG 135 N 1.66 4.05 -0.22 4.92 0.52 0.17 -0.02 118.95 130.03 3hj3 s ARG 135 Ca 0.06 0.08 -0.09 0.00 -0.52 0.00 0.00 55.73 55.27 3hj3 s ARG 135 Cb -0.16 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 3hj3 s ARG 135 CO 0.07 -0.22 0.11 0.08 0.02 0.00 0.00 175.30 175.36 3hj3 s VAL 136 N 1.90 5.00 -1.16 3.52 1.01 -0.17 -3.17 120.40 127.33 3hj3 s VAL 136 Ca 0.16 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 3hj3 s VAL 136 Cb -0.15 -3.30 0.25 0.00 0.00 0.00 0.00 36.38 33.17 3hj3 s VAL 136 CO 0.09 0.39 1.84 0.00 0.00 0.00 0.00 175.10 177.41 3hj3 n ALA 137 N 4.11 5.78 -3.72 5.51 0.00 0.44 -1.24 120.51 131.40 3hj3 n ALA 137 Ca -0.16 -4.51 -0.17 0.00 0.00 0.00 0.00 53.44 48.60 3hj3 n ALA 137 Cb 0.52 -2.52 -0.17 0.00 0.00 0.00 0.00 19.45 17.28 3hj3 n ALA 137 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3hj3 s LEU 138 N -2.52 0.55 0.00 0.00 2.34 -1.26 -4.30 118.68 113.49 3hj3 s LEU 138 Ca 0.39 0.08 0.01 0.00 0.06 0.00 0.00 54.13 54.67 3hj3 s LEU 138 Cb 0.12 -0.07 0.01 0.00 -0.56 0.00 0.00 46.19 45.69 3hj3 s LEU 138 CO -0.02 -0.19 0.05 -0.62 -1.06 0.00 0.00 176.35 174.51 3hj3 n GLU 139 N 4.78 1.48 -3.04 1.48 -0.58 -1.26 -4.77 120.64 118.74 3hj3 n GLU 139 Ca -0.15 -0.92 -0.12 0.00 -0.42 0.00 0.00 57.16 55.56 3hj3 n GLU 139 Cb 0.50 0.17 0.04 0.00 -0.57 0.00 0.00 31.44 31.59 3hj3 n GLU 139 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hj3 n ASP 140 N -1.53 -4.12 -4.07 1.62 10.43 -1.26 -5.03 116.55 112.60 3hj3 n ASP 140 Ca -0.03 -0.28 -0.13 0.00 2.57 0.00 0.00 54.79 56.92 3hj3 n ASP 140 Cb 0.16 -2.82 -0.10 0.00 1.84 0.00 0.00 41.12 40.21 3hj3 n ASP 140 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 3hj3 s ILE 141 N -3.16 0.00 -0.03 0.53 -4.36 -1.26 -5.14 121.20 107.78 3hj3 s ILE 141 Ca 0.28 -1.98 -0.22 0.00 -0.26 0.00 0.00 60.65 58.48 3hj3 s ILE 141 Cb -0.12 -2.49 -0.05 0.00 1.25 0.00 0.00 42.46 41.05 3hj3 s ILE 141 CO 0.37 0.00 0.63 -0.70 0.24 0.00 0.00 174.94 175.48 3hj3 s GLU 142 N -4.05 4.37 0.02 0.37 2.12 -1.26 -5.05 118.70 115.23 3hj3 s GLU 142 Ca 0.39 0.78 0.04 0.00 0.36 0.00 0.00 54.97 56.54 3hj3 s GLU 142 Cb 0.06 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 3hj3 s GLU 142 CO 0.14 0.25 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.92 3hj3 s PHE 143 N 0.20 1.13 0.00 5.30 0.08 -1.26 -4.69 117.98 118.74 3hj3 s PHE 143 Ca 0.33 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.07 3hj3 s PHE 143 Cb -0.18 -0.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.58 3hj3 s PHE 143 CO 0.17 0.01 0.49 -0.40 -0.10 0.00 0.00 175.22 175.39 3hj3 n ASP 144 N 2.18 0.90 -4.09 1.36 5.68 -0.13 -4.96 116.55 117.49 3hj3 n ASP 144 Ca -0.17 -1.19 -0.20 0.00 -0.50 0.00 0.00 54.79 52.73 3hj3 n ASP 144 Cb 0.55 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.39 3hj3 n ASP 144 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3hj3 s THR 145 N -0.19 0.97 0.09 2.12 2.01 -0.89 -5.00 115.64 114.75 3hj3 s THR 145 Ca 0.00 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.41 3hj3 s THR 145 Cb 0.00 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 3hj3 s THR 145 CO 0.00 0.20 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.70 3hj3 s TYR 146 N -0.43 1.12 -0.04 4.92 2.02 -1.26 -1.84 117.35 121.84 3hj3 s TYR 146 Ca 0.04 -0.57 -0.27 0.00 -0.37 0.00 0.00 57.07 55.90 3hj3 s TYR 146 Cb -0.05 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.86 3hj3 s TYR 146 CO -0.00 0.03 0.86 0.12 -1.57 0.00 0.00 175.55 174.99 3hj3 s PHE 147 N -1.95 3.61 0.95 2.71 2.19 -0.42 -4.48 117.98 120.60 3hj3 s PHE 147 Ca 0.02 1.49 -0.13 0.00 0.33 0.00 0.00 56.93 58.65 3hj3 s PHE 147 Cb -0.06 -2.99 0.05 0.00 -1.31 0.00 0.00 43.02 38.71 3hj3 s PHE 147 CO 0.01 0.01 0.46 -2.30 1.83 0.00 0.00 175.22 175.24 3hj3 n PRO 148 N 3.94 -0.35 -1.79 10.12 -0.02 -1.26 -4.86 135.00 140.79 3hj3 n PRO 148 Ca 0.03 -0.06 -0.41 0.00 -2.02 0.00 0.00 63.50 61.04 3hj3 n PRO 148 Cb 0.51 -1.90 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 3hj3 n PRO 148 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hj3 s GLU 149 N -3.72 4.11 0.10 -0.52 0.41 -1.26 -4.94 118.70 112.88 3hj3 s GLU 149 Ca 0.58 2.58 -0.31 0.00 -0.41 0.00 0.00 54.97 57.41 3hj3 s GLU 149 Cb -0.21 -2.99 -0.07 0.00 -1.78 0.00 0.00 34.13 29.08 3hj3 s GLU 149 CO 0.67 -0.58 1.26 0.42 -0.49 0.00 0.00 175.26 176.54 3hj3 s ILE 150 N -0.65 3.71 0.67 -1.63 1.01 -1.26 -4.98 121.20 118.07 3hj3 s ILE 150 Ca 0.57 1.26 -0.16 0.00 0.00 0.00 0.00 60.65 62.32 3hj3 s ILE 150 Cb -0.47 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.20 3hj3 s ILE 150 CO 0.57 0.11 1.15 -2.84 0.00 0.00 0.00 174.94 173.93 3hj3 s PRO 151 N 0.88 2.62 0.33 2.79 0.02 -1.26 -4.91 135.00 135.46 3hj3 s PRO 151 Ca 0.60 1.56 0.24 0.00 0.02 0.00 0.00 61.00 63.42 3hj3 s PRO 151 Cb -0.32 -1.91 1.19 0.00 0.02 0.00 0.00 34.50 33.47 3hj3 s PRO 151 CO 0.31 -1.42 1.74 0.93 -0.33 0.00 0.00 177.00 178.23 3hj3 h GLU 152 N 0.05 0.00 0.00 5.54 5.08 -2.03 -2.10 114.58 121.12 3hj3 h GLU 152 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3hj3 h GLU 152 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3hj3 h GLU 152 CO 0.53 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.79 3hj3 n THR 153 N -2.35 0.34 -4.36 1.13 -2.24 -1.26 -4.72 114.28 100.82 3hj3 n THR 153 Ca -0.00 0.08 -0.33 0.00 -2.27 0.00 0.00 64.05 61.54 3hj3 n THR 153 Cb 0.13 -0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 67.49 3hj3 n THR 153 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hj3 s PHE 154 N -2.44 3.02 0.09 4.78 0.08 -0.79 -1.51 117.98 121.22 3hj3 s PHE 154 Ca 0.20 0.06 0.07 0.00 0.12 0.00 0.00 56.93 57.38 3hj3 s PHE 154 Cb 0.13 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 3hj3 s PHE 154 CO 0.27 0.43 -0.18 -0.51 -0.10 0.00 0.00 175.22 175.13 3hj3 s LEU 155 N -1.40 2.30 0.27 -0.37 1.43 -0.49 -4.93 118.68 115.50 3hj3 s LEU 155 Ca 0.18 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 3hj3 s LEU 155 Cb -0.11 -0.72 -0.09 0.00 0.03 0.00 0.00 46.19 45.29 3hj3 s LEU 155 CO 0.08 -0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.58 3hj3 s PRO 156 N -1.91 4.66 0.00 1.29 0.04 -1.26 -0.97 135.00 136.84 3hj3 s PRO 156 Ca 0.04 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.85 3hj3 s PRO 156 Cb -0.10 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.25 3hj3 s PRO 156 CO 0.03 0.23 0.18 1.33 0.04 0.00 0.00 177.00 178.82 3hj3 n VAL 157 N 1.24 0.00 -3.63 -0.36 0.24 0.02 -2.50 118.33 113.34 3hj3 n VAL 157 Ca -0.01 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 3hj3 n VAL 157 Cb 0.45 1.46 -0.07 0.00 -1.47 0.00 0.00 33.84 34.21 3hj3 n VAL 157 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3hj3 s TYR 158 N -0.08 -0.66 -0.12 6.34 5.04 -1.21 -3.83 117.35 122.83 3hj3 s TYR 158 Ca 0.00 1.60 -0.04 0.00 -2.44 0.00 0.00 57.07 56.19 3hj3 s TYR 158 Cb 0.00 0.32 0.06 0.00 0.35 0.00 0.00 41.96 42.69 3hj3 s TYR 158 CO 0.00 -0.32 0.13 1.41 -1.34 0.00 0.00 175.55 175.43 3hj3 s MET 159 N 0.39 0.05 1.07 4.97 -2.45 -0.68 -2.14 119.30 120.50 3hj3 s MET 159 Ca 0.01 0.30 -0.15 0.00 -1.25 0.00 0.00 55.69 54.59 3hj3 s MET 159 Cb -0.05 -0.89 0.22 0.00 1.25 0.00 0.00 34.83 35.36 3hj3 s MET 159 CO -0.03 -0.47 1.12 -1.54 1.05 0.00 0.00 175.02 175.15 3hj3 s SER 160 N 2.24 2.09 0.95 1.11 1.04 0.68 -1.51 113.70 120.29 3hj3 s SER 160 Ca 0.04 0.87 -0.11 0.00 0.48 0.00 0.00 55.95 57.22 3hj3 s SER 160 Cb -0.14 -1.32 0.16 0.00 0.10 0.00 0.00 66.02 64.83 3hj3 s SER 160 CO -0.07 -3.43 1.10 0.00 0.98 0.00 0.00 173.24 171.82 3hj3 s GLN 161 N -5.24 0.81 0.26 4.02 -2.07 -1.26 -3.06 119.66 113.12 3hj3 s GLN 161 Ca 0.68 1.16 -0.29 0.00 -1.82 0.00 0.00 55.36 55.08 3hj3 s GLN 161 Cb -0.14 -1.73 -0.09 0.00 -1.09 0.00 0.00 33.01 29.96 3hj3 s GLN 161 CO 0.56 -2.65 0.99 0.99 -1.32 0.00 0.00 175.29 173.87 3hj3 s THR 162 N -2.71 3.88 0.49 3.63 2.01 -1.26 -4.62 115.64 117.06 3hj3 s THR 162 Ca 0.65 1.86 0.05 0.00 0.31 0.00 0.00 61.69 64.57 3hj3 s THR 162 Cb -0.21 -4.17 -0.00 0.00 0.01 0.00 0.00 72.50 68.12 3hj3 s THR 162 CO 0.59 0.42 0.25 -0.36 -0.69 0.00 0.00 174.62 174.82 3hj3 s PHE 163 N -1.22 2.04 -0.02 4.92 0.40 0.56 -4.62 117.98 120.04 3hj3 s PHE 163 Ca 0.43 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 3hj3 s PHE 163 Cb -0.27 -1.88 0.01 0.00 0.51 0.00 0.00 43.02 41.39 3hj3 s PHE 163 CO 0.34 -0.10 -0.03 0.00 0.70 0.00 0.00 175.22 176.13 3hj3 s THR 165 N 0.46 -0.15 -1.56 0.00 2.01 -0.91 -4.85 115.64 110.64 3hj3 s THR 165 Ca -0.05 0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.18 3hj3 s THR 165 Cb -0.08 -0.24 0.06 0.00 0.01 0.00 0.00 72.50 72.25 3hj3 s THR 165 CO -0.01 0.12 0.37 0.29 -0.69 0.00 0.00 174.62 174.71 3hj3 n LYS 166 N 4.80 -2.23 -1.01 4.92 5.02 -1.26 0.54 118.16 128.94 3hj3 n LYS 166 Ca -0.15 0.27 -0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3hj3 n LYS 166 Cb 0.51 -4.35 -0.00 0.00 -0.02 0.00 0.00 35.03 31.16 3hj3 n LYS 166 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hj3 n ASN 167 N -2.83 -5.12 -4.66 4.39 5.03 -1.26 -4.99 115.26 105.82 3hj3 n ASN 167 Ca -0.20 0.01 -0.36 0.00 0.87 0.00 0.00 54.58 54.90 3hj3 n ASN 167 Cb 0.63 -2.64 -0.10 0.00 -1.02 0.00 0.00 39.78 36.65 3hj3 n ASN 167 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hj3 s ILE 168 N -1.32 5.30 0.29 2.41 1.01 0.19 -4.80 121.20 124.28 3hj3 s ILE 168 Ca 0.00 0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.53 3hj3 s ILE 168 Cb 0.00 -3.46 -0.09 0.00 0.01 0.00 0.00 42.46 38.91 3hj3 s ILE 168 CO 0.00 0.36 0.96 -0.44 0.00 0.00 0.00 174.94 175.81 3hj3 s SER 169 N 0.99 7.44 0.24 3.58 0.01 -1.26 -2.15 113.70 122.56 3hj3 s SER 169 Ca 0.07 1.92 -0.15 0.00 1.31 0.00 0.00 55.95 59.10 3hj3 s SER 169 Cb -0.13 -2.60 0.06 0.00 0.21 0.00 0.00 66.02 63.56 3hj3 s SER 169 CO 0.04 0.01 0.74 0.00 0.41 0.00 0.00 173.24 174.44 3hj3 n TYR 170 N 0.96 -1.70 0.00 2.43 4.11 -0.57 -0.42 117.16 121.98 3hj3 n TYR 170 Ca 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 57.90 56.60 3hj3 n TYR 170 Cb 0.48 0.65 0.00 0.00 -0.00 0.00 0.00 39.34 40.47 3hj3 n TYR 170 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 3hj3 n ASP 171 N -1.31 0.00 -4.26 9.48 2.03 -1.19 0.21 116.55 121.51 3hj3 n ASP 171 Ca -0.05 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.94 3hj3 n ASP 171 Cb 0.48 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.72 3hj3 n ASP 171 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3hj3 s PHE 172 N 0.00 2.61 0.07 -0.67 0.08 -1.26 0.43 117.98 119.24 3hj3 s PHE 172 Ca 0.00 -0.95 0.02 0.00 0.12 0.00 0.00 56.93 56.12 3hj3 s PHE 172 Cb 0.00 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.68 3hj3 s PHE 172 CO 0.00 -0.37 -0.07 0.00 -0.10 0.00 0.00 175.22 174.69 3hj3 s MET 173 N 0.32 0.67 -0.03 0.44 0.23 0.28 -0.23 119.30 120.99 3hj3 s MET 173 Ca -0.17 -1.07 0.07 0.00 -1.03 0.00 0.00 55.69 53.50 3hj3 s MET 173 Cb -0.17 -0.19 -0.02 0.00 -1.53 0.00 0.00 34.83 32.91 3hj3 s MET 173 CO 0.08 0.00 -0.24 0.96 -2.03 0.00 0.00 175.02 173.79 3hj3 s ILE 174 N -2.66 1.95 -0.05 3.16 -4.36 -0.91 -0.30 121.20 118.03 3hj3 s ILE 174 Ca 0.02 -1.04 0.05 0.00 -0.26 0.00 0.00 60.65 59.41 3hj3 s ILE 174 Cb -0.01 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 42.05 3hj3 s ILE 174 CO -0.03 0.55 -0.19 -0.36 0.24 0.00 0.00 174.94 175.15 3hj3 s PHE 175 N -0.47 2.56 0.01 1.37 0.40 -0.11 -0.80 117.98 120.94 3hj3 s PHE 175 Ca 0.06 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 3hj3 s PHE 175 Cb -0.10 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 3hj3 s PHE 175 CO 0.00 0.03 -0.18 -2.00 0.70 0.00 0.00 175.22 173.77 3hj3 s GLU 176 N -0.53 2.20 -0.54 0.44 2.56 -0.14 -0.62 118.70 122.07 3hj3 s GLU 176 Ca 0.07 -0.89 -0.28 0.00 0.00 0.00 0.00 54.97 53.87 3hj3 s GLU 176 Cb -0.11 -2.22 0.01 0.00 2.00 0.00 0.00 34.13 33.81 3hj3 s GLU 176 CO 0.01 0.57 1.42 0.21 -0.56 0.00 0.00 175.26 176.91 3hj3 s LYS 177 N -1.11 3.34 -0.35 4.30 2.20 1.00 -1.39 119.74 127.74 3hj3 s LYS 177 Ca 0.13 0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 56.24 3hj3 s LYS 177 Cb -0.10 -4.11 0.06 0.00 -1.51 0.00 0.00 37.83 32.16 3hj3 s LYS 177 CO 0.03 -1.89 0.10 -0.65 -0.36 0.00 0.00 175.35 172.58 3hj3 s GLN 178 N 5.43 2.46 0.00 4.03 -0.21 -0.57 -4.99 119.66 125.81 3hj3 s GLN 178 Ca 0.54 -1.34 0.00 0.00 0.02 0.00 0.00 55.36 54.58 3hj3 s GLN 178 Cb -0.11 -3.42 0.00 0.00 1.00 0.00 0.00 33.01 30.48 3hj3 s GLN 178 CO 0.26 -0.74 0.00 -0.85 -2.12 0.00 0.00 175.29 171.84 3hj3 n GLU 179 N 4.73 0.00 0.00 2.91 0.00 -1.26 -4.77 120.64 122.24 3hj3 n GLU 179 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.05 3hj3 n GLU 179 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.87 3hj3 n GLU 179 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3hj3 n LYS 180 N 0.00 0.00 -1.73 3.44 4.81 -1.26 -5.22 118.16 118.20 3hj3 n LYS 180 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3hj3 n LYS 180 Cb 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 33.68 3hj3 n LYS 180 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3hj3 n ARG 190 N 2.77 -1.80 -0.51 1.64 3.00 -1.26 -5.26 116.66 115.25 3hj3 n ARG 190 Ca 0.00 1.27 0.00 0.00 -0.00 0.00 0.00 57.85 59.12 3hj3 n ARG 190 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 30.73 3hj3 n ARG 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hj3 n GLY 191 N 1.68 0.69 0.11 5.14 0.00 -1.26 -5.00 105.19 106.54 3hj3 n GLY 191 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 3hj3 n GLY 191 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hj3 h GLN 192 N 0.12 0.20 -4.04 1.61 1.08 -2.03 -3.43 115.11 108.62 3hj3 h GLN 192 Ca 0.00 -0.33 -0.23 0.00 -1.45 0.00 0.00 58.65 56.64 3hj3 h GLN 192 Cb 0.00 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.47 3hj3 h GLN 192 CO 0.00 1.01 -0.19 -0.48 -0.95 0.00 0.00 178.83 178.22 3hj3 s LEU 193 N -6.82 0.87 0.11 1.46 2.34 -1.26 -5.07 118.68 110.31 3hj3 s LEU 193 Ca -0.10 -1.38 -0.26 0.00 0.06 0.00 0.00 54.13 52.46 3hj3 s LEU 193 Cb 0.07 1.50 -0.08 0.00 -0.56 0.00 0.00 46.19 47.12 3hj3 s LEU 193 CO 0.83 -1.26 1.44 0.50 -1.06 0.00 0.00 176.35 176.80 3hj3 h LYS 194 N 2.16 -0.22 -0.96 1.48 3.64 -2.00 -3.03 116.57 117.63 3hj3 h LYS 194 Ca -0.28 0.02 0.31 0.00 -1.27 0.00 0.00 60.65 59.42 3hj3 h LYS 194 Cb 1.24 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.95 3hj3 h LYS 194 CO 0.39 -0.15 0.37 0.66 -2.27 0.00 0.00 179.45 178.45 3hj3 h SER 195 N -0.23 0.14 0.39 4.20 4.64 -1.98 0.32 113.55 121.03 3hj3 h SER 195 Ca 0.08 0.23 -0.23 0.00 -0.47 0.00 0.00 61.79 61.40 3hj3 h SER 195 Cb 0.43 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3hj3 h SER 195 CO -0.55 -0.25 -0.96 0.40 -0.87 0.00 0.00 176.83 174.60 3hj3 h ILE 196 N 0.16 1.42 0.05 0.95 2.04 -1.96 -1.92 117.51 118.25 3hj3 h ILE 196 Ca 0.69 -2.52 -0.23 0.00 1.00 0.00 0.00 64.86 63.80 3hj3 h ILE 196 Cb 1.57 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 40.10 3hj3 h ILE 196 CO -0.72 0.75 -1.08 0.44 0.00 0.00 0.00 178.15 177.55 3hj3 h ASP 197 N 0.20 0.18 -0.12 1.72 3.32 -0.63 -1.32 116.42 119.76 3hj3 h ASP 197 Ca -0.08 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 3hj3 h ASP 197 Cb 1.60 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 3hj3 h ASP 197 CO 0.16 1.13 0.05 0.44 -1.72 0.00 0.00 179.24 179.31 3hj3 h ASP 198 N 0.04 0.16 -0.48 6.45 3.45 -0.57 0.76 116.42 126.23 3hj3 h ASP 198 Ca -0.06 -0.14 -0.04 0.00 0.43 0.00 0.00 57.03 57.22 3hj3 h ASP 198 Cb 1.82 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 40.52 3hj3 h ASP 198 CO 0.16 0.26 0.13 0.74 -1.57 0.00 0.00 179.24 178.95 3hj3 h THR 199 N 0.06 1.23 -0.31 0.35 2.02 -1.31 0.34 112.91 115.28 3hj3 h THR 199 Ca 0.04 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 3hj3 h THR 199 Cb 0.14 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3hj3 h THR 199 CO -0.00 0.29 -0.18 0.58 0.37 0.00 0.00 175.52 176.57 3hj3 h VAL 200 N 0.64 1.25 0.40 3.16 2.07 -1.18 -0.67 116.25 121.93 3hj3 h VAL 200 Ca 0.15 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 3hj3 h VAL 200 Cb 0.30 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3hj3 h VAL 200 CO -0.00 0.39 -0.19 0.44 0.02 0.00 0.00 177.57 178.22 3hj3 h ASP 201 N 0.52 -0.46 -0.87 0.57 3.45 -0.16 -1.77 116.42 117.69 3hj3 h ASP 201 Ca 0.08 -0.09 0.18 0.00 0.43 0.00 0.00 57.03 57.63 3hj3 h ASP 201 Cb 0.61 0.12 -0.11 0.00 -0.56 0.00 0.00 39.33 39.39 3hj3 h ASP 201 CO 0.04 -0.16 0.42 -0.07 -1.57 0.00 0.00 179.24 177.90 3hj3 h LEU 202 N -0.76 0.45 -1.14 1.55 4.07 -0.27 0.66 115.31 119.87 3hj3 h LEU 202 Ca -0.06 0.12 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 3hj3 h LEU 202 Cb 0.52 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 3hj3 h LEU 202 CO 0.09 0.13 0.05 -0.07 -1.08 0.00 0.00 178.44 177.56 3hj3 h LEU 203 N 0.53 0.61 -0.45 1.67 4.07 -1.04 -1.11 115.31 119.60 3hj3 h LEU 203 Ca 0.50 -0.11 -0.15 0.00 0.08 0.00 0.00 57.88 58.20 3hj3 h LEU 203 Cb 0.82 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 3hj3 h LEU 203 CO -0.43 0.65 -0.35 1.23 -1.08 0.00 0.00 178.44 178.46 3hj3 h GLY 204 N 0.89 1.00 0.93 0.83 0.00 -0.01 -0.81 103.07 105.90 3hj3 h GLY 204 Ca 0.14 -0.99 -0.05 0.00 0.00 0.00 0.00 47.33 46.43 3hj3 h GLY 204 CO 0.01 0.89 0.04 0.83 0.00 0.00 0.00 176.54 178.31 3hj3 h GLU 205 N 0.76 0.66 -0.32 4.80 5.08 -0.51 0.98 114.58 126.03 3hj3 h GLU 205 Ca 0.07 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3hj3 h GLU 205 Cb 0.93 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3hj3 h GLU 205 CO 0.09 0.73 0.16 0.82 -1.00 0.00 0.00 179.01 179.80 3hj3 h ILE 206 N 0.50 1.16 0.00 3.13 2.04 -0.94 -3.31 117.51 120.08 3hj3 h ILE 206 Ca 0.12 -0.46 -0.26 0.00 1.00 0.00 0.00 64.86 65.26 3hj3 h ILE 206 Cb 0.41 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3hj3 h ILE 206 CO 0.01 0.17 -1.64 0.00 0.00 0.00 0.00 178.15 176.69 3hj3 n ALA 207 N -2.25 1.63 -0.75 1.87 0.00 -0.34 -5.04 120.51 115.63 3hj3 n ALA 207 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3hj3 n ALA 207 Cb 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3hj3 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hj3 n GLY 208 N 1.51 3.74 0.28 0.00 0.00 0.34 -1.82 105.19 109.24 3hj3 n GLY 208 Ca -0.15 0.14 0.16 0.00 0.00 0.00 0.00 46.02 46.18 3hj3 n GLY 208 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hj3 h ILE 209 N 0.00 0.17 0.00 -0.61 2.04 -1.92 -2.78 117.51 114.40 3hj3 h ILE 209 Ca 0.00 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3hj3 h ILE 209 Cb 0.00 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3hj3 h ILE 209 CO 0.00 0.05 0.00 0.03 0.00 0.00 0.00 178.15 178.23 3hj3 h ARG 210 N 0.00 0.00 -4.73 2.37 3.08 -1.75 -3.41 114.38 109.95 3hj3 h ARG 210 Ca -0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 3hj3 h ARG 210 Cb 0.44 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.29 3hj3 h ARG 210 CO 0.01 0.00 -0.51 0.21 -1.07 0.00 0.00 179.97 178.61 3hj3 s LYS 211 N -3.44 3.40 0.49 0.04 2.20 -1.05 -4.97 119.74 116.40 3hj3 s LYS 211 Ca 0.03 -0.70 0.32 0.00 -0.36 0.00 0.00 55.97 55.26 3hj3 s LYS 211 Cb 0.09 -3.71 1.43 0.00 -1.51 0.00 0.00 37.83 34.13 3hj3 s LYS 211 CO 0.41 -0.45 1.76 1.98 -0.36 0.00 0.00 175.35 178.69 3hj3 h MET 212 N 8.43 0.11 -0.78 4.03 1.85 -1.88 0.37 114.93 127.07 3hj3 h MET 212 Ca -0.31 -0.01 0.13 0.00 -0.61 0.00 0.00 59.70 58.90 3hj3 h MET 212 Cb 1.15 -0.03 -0.09 0.00 0.43 0.00 0.00 31.60 33.07 3hj3 h MET 212 CO 0.63 0.07 0.36 0.78 -0.40 0.00 0.00 176.91 178.36 3hj3 h GLY 213 N 0.12 1.21 2.00 1.39 0.00 -1.92 -0.12 103.07 105.74 3hj3 h GLY 213 Ca 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3hj3 h GLY 213 CO -0.13 -0.03 0.00 3.43 0.00 0.00 0.00 176.54 179.81 3hj3 h ASN 214 N 0.55 0.00 1.50 0.19 4.21 -0.49 -2.44 115.58 119.10 3hj3 h ASN 214 Ca 0.41 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.92 3hj3 h ASN 214 Cb 0.57 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.77 3hj3 h ASN 214 CO -0.35 0.00 -0.39 0.03 -1.29 0.00 0.00 177.43 175.43 3hj3 h ARG 215 N 0.00 0.00 -2.15 0.81 3.08 -1.04 -3.36 114.38 111.72 3hj3 h ARG 215 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3hj3 h ARG 215 Cb 0.30 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.94 3hj3 h ARG 215 CO 0.00 0.00 -0.76 0.72 -1.07 0.00 0.00 179.97 178.86 3hj3 n HIS 216 N -2.76 2.54 -2.25 3.04 8.25 -0.92 -4.97 115.22 118.14 3hj3 n HIS 216 Ca 0.03 -3.97 -0.38 0.00 -0.26 0.00 0.00 57.72 53.14 3hj3 n HIS 216 Cb 0.52 -0.49 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 3hj3 n HIS 216 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3hj3 s LYS 217 N -2.32 3.86 0.22 -0.41 2.20 -1.23 -4.90 119.74 117.16 3hj3 s LYS 217 Ca 0.40 1.83 -0.30 0.00 -0.36 0.00 0.00 55.97 57.54 3hj3 s LYS 217 Cb 0.19 -2.52 -0.09 0.00 -1.51 0.00 0.00 37.83 33.90 3hj3 s LYS 217 CO -0.06 -0.48 1.23 0.12 -0.36 0.00 0.00 175.35 175.81 3hj3 s PHE 218 N -1.48 3.35 0.31 4.03 5.36 -1.26 -4.83 117.98 123.45 3hj3 s PHE 218 Ca 0.61 1.39 -0.28 0.00 -0.96 0.00 0.00 56.93 57.69 3hj3 s PHE 218 Cb -0.30 -3.50 -0.13 0.00 -0.34 0.00 0.00 43.02 38.75 3hj3 s PHE 218 CO 0.37 -1.42 1.12 -2.30 -1.46 0.00 0.00 175.22 171.53 3hj3 n PRO 219 N 2.21 1.66 -2.47 10.12 -0.02 -1.26 -4.95 135.00 140.30 3hj3 n PRO 219 Ca 0.04 0.58 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 3hj3 n PRO 219 Cb 0.44 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 3hj3 n PRO 219 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3hj3 s LYS 220 N -1.65 4.25 0.34 -0.52 3.01 -1.26 -4.86 119.74 119.05 3hj3 s LYS 220 Ca 0.58 1.66 0.11 0.00 -1.01 0.00 0.00 55.97 57.30 3hj3 s LYS 220 Cb -0.65 -2.73 1.03 0.00 -1.01 0.00 0.00 37.83 34.47 3hj3 s LYS 220 CO 0.61 -0.10 1.56 -1.91 0.51 0.00 0.00 175.35 176.02 3hj3 n GLU 221 N 0.27 -0.07 0.00 1.68 2.13 -1.26 -0.63 120.64 122.76 3hj3 n GLU 221 Ca 0.03 1.43 0.06 0.00 0.66 0.00 0.00 57.16 59.34 3hj3 n GLU 221 Cb 0.48 -2.41 0.27 0.00 0.27 0.00 0.00 31.44 30.05 3hj3 n GLU 221 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 3hj3 n GLU 222 N -5.37 0.10 0.00 5.31 0.00 -1.26 -2.62 120.64 116.80 3hj3 n GLU 222 Ca 0.30 0.23 0.00 0.00 0.00 0.00 0.00 57.16 57.69 3hj3 n GLU 222 Cb 1.01 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.95 3hj3 n GLU 222 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3hj3 n ILE 223 N -1.38 0.00 -3.28 3.84 -5.35 0.20 -5.00 119.36 108.40 3hj3 n ILE 223 Ca 0.04 -0.49 -0.39 0.00 -0.27 0.00 0.00 62.75 61.65 3hj3 n ILE 223 Cb 0.11 1.01 -0.07 0.00 -1.74 0.00 0.00 39.64 38.95 3hj3 n ILE 223 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3hj3 s TYR 224 N -0.41 3.37 0.33 4.28 6.04 -1.08 -4.62 117.35 125.27 3hj3 s TYR 224 Ca 0.00 0.74 -0.29 0.00 0.04 0.00 0.00 57.07 57.56 3hj3 s TYR 224 Cb 0.00 -2.64 -0.11 0.00 -1.04 0.00 0.00 41.96 38.17 3hj3 s TYR 224 CO 0.00 -0.08 1.54 1.21 -1.54 0.00 0.00 175.55 176.68 3hj3 s ASN 225 N 1.13 6.37 -1.09 4.32 3.84 -1.26 -3.70 114.94 124.55 3hj3 s ASN 225 Ca 0.23 2.99 -0.24 0.00 0.21 0.00 0.00 52.86 56.05 3hj3 s ASN 225 Cb -0.15 -2.65 0.03 0.00 -0.55 0.00 0.00 41.25 37.93 3hj3 s ASN 225 CO 0.09 -0.89 0.66 0.41 -2.79 0.00 0.00 177.10 174.58 3hj3 n THR 226 N 1.38 -2.96 0.28 -5.21 -1.04 -1.26 -4.78 114.28 100.69 3hj3 n THR 226 Ca 0.05 -0.41 0.13 0.00 -2.04 0.00 0.00 64.05 61.77 3hj3 n THR 226 Cb 0.38 -2.53 0.82 0.00 -1.82 0.00 0.00 70.33 67.19 3hj3 n THR 226 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3hj3 h PRO 227 N -1.87 0.00 0.00 -2.82 0.13 -1.87 -2.21 132.00 123.37 3hj3 h PRO 227 Ca -0.69 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 3hj3 h PRO 227 Cb 1.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 3hj3 h PRO 227 CO 0.47 0.01 0.00 0.66 -0.23 0.00 0.00 178.00 178.91 3hj3 h SER 228 N 0.00 0.00 -2.28 1.44 4.64 -1.87 -3.34 113.55 112.14 3hj3 h SER 228 Ca -0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3hj3 h SER 228 Cb 0.02 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.00 3hj3 h SER 228 CO 0.00 0.00 0.96 -0.63 -0.87 0.00 0.00 176.83 176.29 3hj3 s ILE 229 N -3.57 3.96 -0.14 0.95 1.01 -0.83 -4.44 121.20 118.15 3hj3 s ILE 229 Ca 0.02 -0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.68 3hj3 s ILE 229 Cb 0.09 -4.87 -0.13 0.00 0.01 0.00 0.00 42.46 37.56 3hj3 s ILE 229 CO 0.54 -1.74 -0.05 -2.11 0.00 0.00 0.00 174.94 171.58 3hj3 n ARG 230 N 8.71 1.20 -0.09 2.79 1.85 -1.26 -4.67 116.66 125.19 3hj3 n ARG 230 Ca 0.06 0.04 0.08 0.00 -1.00 0.00 0.00 57.85 57.03 3hj3 n ARG 230 Cb 0.48 -1.32 0.12 0.00 -1.05 0.00 0.00 32.46 30.69 3hj3 n ARG 230 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3hj3 n PHE 231 N -2.71 0.24 -2.48 2.89 3.01 -1.26 -4.67 117.46 112.48 3hj3 n PHE 231 Ca -0.24 -0.18 -0.12 0.00 1.01 0.00 0.00 57.45 57.92 3hj3 n PHE 231 Cb 0.85 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 40.35 3hj3 n PHE 231 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hj3 n GLY 232 N 0.90 3.85 2.47 1.37 0.00 -1.25 -4.93 105.19 107.60 3hj3 n GLY 232 Ca 0.12 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 3hj3 n GLY 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hj3 n ARG 233 N -0.59 4.08 0.08 1.61 1.74 -1.26 -1.68 116.66 120.64 3hj3 n ARG 233 Ca 0.24 -2.97 -0.15 0.00 -0.77 0.00 0.00 57.85 54.20 3hj3 n ARG 233 Cb 0.86 -2.76 -0.08 0.00 -1.02 0.00 0.00 32.46 29.45 3hj3 n ARG 233 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3hj3 h GLU 234 N 4.94 0.40 -6.29 5.56 4.81 -1.82 -3.45 114.58 118.74 3hj3 h GLU 234 Ca 0.73 -0.50 -0.66 0.00 -0.13 0.00 0.00 59.36 58.80 3hj3 h GLU 234 Cb 0.35 0.16 0.03 0.00 0.63 0.00 0.00 28.75 29.92 3hj3 h GLU 234 CO 1.63 1.17 0.81 1.58 -0.73 0.00 0.00 179.01 183.48 3hj3 n HIS 235 N -3.69 2.03 0.29 0.92 -0.00 -0.57 -4.07 115.22 110.12 3hj3 n HIS 235 Ca -0.08 0.37 0.17 0.00 0.46 0.00 0.00 57.72 58.64 3hj3 n HIS 235 Cb 0.91 -2.49 0.82 0.00 -0.12 0.00 0.00 29.99 29.10 3hj3 n HIS 235 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 3hj3 h TYR 236 N 6.74 0.00 -1.03 1.57 -1.99 -1.86 -1.68 116.97 118.72 3hj3 h TYR 236 Ca -0.47 0.00 0.29 0.00 2.00 0.00 0.00 58.73 60.55 3hj3 h TYR 236 Cb 1.30 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.98 3hj3 h TYR 236 CO 0.72 0.00 0.72 1.49 -0.00 0.00 0.00 178.16 181.10 3hj3 h GLU 237 N 0.00 0.09 0.00 4.88 4.81 -1.91 0.04 114.58 122.49 3hj3 h GLU 237 Ca 0.00 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3hj3 h GLU 237 Cb 0.16 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3hj3 h GLU 237 CO 0.00 0.06 -0.27 0.74 -0.73 0.00 0.00 179.01 178.81 3hj3 h PHE 238 N 0.10 0.00 -0.82 0.92 0.04 -1.63 -2.35 116.94 113.20 3hj3 h PHE 238 Ca 0.51 0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.30 3hj3 h PHE 238 Cb 1.85 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.95 3hj3 h PHE 238 CO -0.00 0.27 0.54 1.96 -0.60 0.00 0.00 178.31 180.48 3hj3 h GLN 239 N 0.00 1.04 -0.10 1.51 1.08 -1.17 0.22 115.11 117.69 3hj3 h GLN 239 Ca -0.00 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 3hj3 h GLN 239 Cb 0.60 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3hj3 h GLN 239 CO 0.04 0.69 -0.07 -0.92 -0.95 0.00 0.00 178.83 177.61 3hj3 h TYR 240 N 1.07 0.27 -0.41 2.96 5.03 -1.58 -3.03 116.97 121.28 3hj3 h TYR 240 Ca 0.32 -0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.49 3hj3 h TYR 240 Cb -0.06 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.14 3hj3 h TYR 240 CO -0.02 0.61 0.03 -0.07 -1.32 0.00 0.00 178.16 177.40 3hj3 h LEU 241 N -0.16 0.69 -1.18 2.82 3.38 -1.07 -2.45 115.31 117.35 3hj3 h LEU 241 Ca 0.02 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 3hj3 h LEU 241 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3hj3 h LEU 241 CO 0.02 0.80 -0.40 0.44 0.09 0.00 0.00 178.44 179.40 3hj3 h ASP 242 N 0.55 0.03 -0.58 -0.43 5.19 -0.69 -1.26 116.42 119.22 3hj3 h ASP 242 Ca 0.12 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 3hj3 h ASP 242 Cb 0.43 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 3hj3 h ASP 242 CO 0.02 0.43 0.29 0.25 -3.12 0.00 0.00 179.24 177.10 3hj3 h LEU 243 N 0.03 0.75 0.01 1.55 5.85 -1.37 -2.18 115.31 119.94 3hj3 h LEU 243 Ca -0.00 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3hj3 h LEU 243 Cb 0.71 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3hj3 h LEU 243 CO 0.05 0.65 -0.10 0.25 -0.34 0.00 0.00 178.44 178.96 3hj3 h LEU 244 N 0.78 -0.28 -1.35 2.25 5.85 -0.80 -0.94 115.31 120.83 3hj3 h LEU 244 Ca 0.20 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3hj3 h LEU 244 Cb 0.10 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3hj3 h LEU 244 CO -0.03 -0.14 0.00 0.77 -0.34 0.00 0.00 178.44 178.70 3hj3 h SER 245 N -0.17 0.00 0.18 1.25 4.64 -1.19 -2.19 113.55 116.07 3hj3 h SER 245 Ca 0.04 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.03 3hj3 h SER 245 Cb 0.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3hj3 h SER 245 CO -0.09 0.00 -1.60 0.03 -0.87 0.00 0.00 176.83 174.30 3hj3 h ARG 246 N 0.00 0.38 0.00 4.77 3.08 -0.52 -2.40 114.38 119.69 3hj3 h ARG 246 Ca 0.00 -0.65 -0.11 0.00 0.07 0.00 0.00 59.98 59.28 3hj3 h ARG 246 Cb 0.25 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3hj3 h ARG 246 CO 0.00 1.31 -0.54 -0.39 -1.07 0.00 0.00 179.97 179.28 3hj3 h VAL 247 N 0.00 1.24 0.00 2.04 -1.51 -1.37 -0.11 116.25 116.54 3hj3 h VAL 247 Ca -0.31 -1.95 -0.02 0.00 -1.23 0.00 0.00 66.70 63.18 3hj3 h VAL 247 Cb 2.02 2.09 -0.00 0.00 -2.13 0.00 0.00 31.29 33.27 3hj3 h VAL 247 CO 0.17 0.53 -0.12 0.25 -1.23 0.00 0.00 177.57 177.17 3hj3 h LEU 248 N 0.00 0.00 0.00 4.19 5.85 -1.40 1.69 115.31 125.65 3hj3 h LEU 248 Ca -0.01 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.37 3hj3 h LEU 248 Cb 1.05 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 3hj3 h LEU 248 CO 0.07 0.12 -2.28 1.21 -0.34 0.00 0.00 178.44 177.21 3hj3 n GLU 249 N -3.42 0.90 0.00 1.25 4.07 -0.91 -4.63 120.64 117.91 3hj3 n GLU 249 Ca -0.01 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 3hj3 n GLU 249 Cb 0.29 -1.47 -0.00 0.00 -0.06 0.00 0.00 31.44 30.19 3hj3 n GLU 249 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3hj3 n ASN 250 N -2.79 0.34 -4.70 4.31 4.13 -0.07 -4.97 115.26 111.51 3hj3 n ASN 250 Ca -0.33 -0.67 -0.43 0.00 1.68 0.00 0.00 54.58 54.84 3hj3 n ASN 250 Cb 1.07 0.68 -0.03 0.00 -1.54 0.00 0.00 39.78 39.96 3hj3 n ASN 250 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hj3 n GLY 251 N 0.70 1.51 3.78 7.41 0.00 0.58 -4.85 105.19 114.31 3hj3 n GLY 251 Ca 0.00 0.66 -0.39 0.00 0.00 0.00 0.00 46.02 46.29 3hj3 n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hj3 s ALA 252 N 1.68 3.46 0.25 4.61 0.00 -0.07 -4.48 121.76 127.21 3hj3 s ALA 252 Ca 0.78 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 3hj3 s ALA 252 Cb -0.53 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 3hj3 s ALA 252 CO 0.35 0.26 1.27 -0.47 0.00 0.00 0.00 175.76 177.17 3hj3 s TYR 253 N -0.86 3.25 -0.24 0.00 6.14 -1.26 -1.69 117.35 122.69 3hj3 s TYR 253 Ca 0.35 1.36 -0.16 0.00 0.64 0.00 0.00 57.07 59.25 3hj3 s TYR 253 Cb -0.22 -3.57 0.07 0.00 0.42 0.00 0.00 41.96 38.66 3hj3 s TYR 253 CO 0.24 -1.65 0.60 -0.98 0.64 0.00 0.00 175.55 174.40 3hj3 s ARG 254 N -0.80 0.64 0.51 4.97 1.70 -0.12 -4.97 118.95 120.88 3hj3 s ARG 254 Ca 0.52 1.00 -0.19 0.00 -0.47 0.00 0.00 55.73 56.59 3hj3 s ARG 254 Cb -0.37 0.18 -0.07 0.00 -0.57 0.00 0.00 34.95 34.12 3hj3 s ARG 254 CO 0.43 -0.13 1.05 -1.83 -1.08 0.00 0.00 175.30 173.74 3hj3 s GLU 255 N 1.12 3.66 0.34 3.89 1.03 -1.26 -0.79 118.70 126.69 3hj3 s GLU 255 Ca -0.06 1.35 0.00 0.00 0.03 0.00 0.00 54.97 56.30 3hj3 s GLU 255 Cb -0.05 -2.07 -0.01 0.00 -0.80 0.00 0.00 34.13 31.20 3hj3 s GLU 255 CO -0.11 -0.55 0.42 0.54 -1.33 0.00 0.00 175.26 174.23 3hj3 s ASN 256 N -2.12 1.15 0.45 0.83 4.22 -1.26 -4.92 114.94 113.29 3hj3 s ASN 256 Ca 0.67 -1.57 0.32 0.00 -2.14 0.00 0.00 52.86 50.14 3hj3 s ASN 256 Cb -0.17 0.64 1.47 0.00 1.28 0.00 0.00 41.25 44.47 3hj3 s ASN 256 CO 0.24 -1.24 1.60 0.08 -2.04 0.00 0.00 177.10 175.75 3hj3 h ARG 257 N 2.11 0.05 -6.93 3.55 0.11 -1.98 -3.36 114.38 107.93 3hj3 h ARG 257 Ca -0.27 -0.00 -0.46 0.00 0.10 0.00 0.00 59.98 59.34 3hj3 h ARG 257 Cb 1.24 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 3hj3 h ARG 257 CO 0.38 0.03 0.31 0.95 0.10 0.00 0.00 179.97 181.74 3hj3 s THR 258 N -5.26 4.35 0.61 0.08 -4.23 -1.26 -4.93 115.64 104.99 3hj3 s THR 258 Ca -0.07 1.58 0.29 0.00 -1.18 0.00 0.00 61.69 62.31 3hj3 s THR 258 Cb 0.30 -3.79 0.36 0.00 1.34 0.00 0.00 72.50 70.70 3hj3 s THR 258 CO 0.83 -0.08 1.91 1.23 -0.54 0.00 0.00 174.62 177.97 3hj3 h GLY 259 N 2.57 0.00 -5.24 3.99 0.00 -1.91 -3.41 103.07 99.08 3hj3 h GLY 259 Ca -0.48 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.27 3hj3 h GLY 259 CO 0.63 0.00 0.63 -0.42 0.00 0.00 0.00 176.54 177.38 3hj3 s ILE 260 N -4.50 4.76 0.72 2.60 1.09 -1.26 -4.82 121.20 119.80 3hj3 s ILE 260 Ca -0.04 1.86 -0.11 0.00 -1.10 0.00 0.00 60.65 61.26 3hj3 s ILE 260 Cb 0.14 -4.24 0.02 0.00 -1.06 0.00 0.00 42.46 37.32 3hj3 s ILE 260 CO 0.48 -0.10 1.10 -0.44 -0.10 0.00 0.00 174.94 175.88 3hj3 s SER 261 N 1.21 5.27 0.18 3.58 0.01 -1.26 -4.31 113.70 118.38 3hj3 s SER 261 Ca 0.42 1.15 0.04 0.00 1.31 0.00 0.00 55.95 58.86 3hj3 s SER 261 Cb -0.16 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 3hj3 s SER 261 CO 0.09 -1.45 -0.07 0.42 0.41 0.00 0.00 173.24 172.64 3hj3 s THR 262 N -3.34 1.13 -0.15 1.44 -4.23 0.03 -1.69 115.64 108.83 3hj3 s THR 262 Ca 0.59 -2.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.01 3hj3 s THR 262 Cb -0.12 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 3hj3 s THR 262 CO 0.52 -0.58 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.67 3hj3 s TYR 263 N -3.36 3.02 -0.02 3.99 2.02 -0.14 -0.94 117.35 121.92 3hj3 s TYR 263 Ca 0.21 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 3hj3 s TYR 263 Cb 0.04 -1.94 0.01 0.00 -0.40 0.00 0.00 41.96 39.66 3hj3 s TYR 263 CO 0.04 -0.00 -0.05 0.45 -1.57 0.00 0.00 175.55 174.41 3hj3 s SER 264 N 0.27 0.77 0.48 2.29 0.15 -0.68 -1.26 113.70 115.71 3hj3 s SER 264 Ca -0.03 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.53 3hj3 s SER 264 Cb -0.14 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 3hj3 s SER 264 CO 0.03 0.01 0.02 0.27 1.20 0.00 0.00 173.24 174.77 3hj3 s ILE 265 N 0.37 1.17 -0.06 6.45 -4.36 -0.37 -0.89 121.20 123.50 3hj3 s ILE 265 Ca -0.04 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.34 3hj3 s ILE 265 Cb -0.08 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.35 3hj3 s ILE 265 CO -0.00 0.00 -0.03 0.12 0.24 0.00 0.00 174.94 175.27 3hj3 s PHE 266 N -2.92 0.78 0.00 1.37 5.36 -1.26 -1.35 117.98 119.96 3hj3 s PHE 266 Ca 0.13 -0.24 0.00 0.00 -0.96 0.00 0.00 56.93 55.86 3hj3 s PHE 266 Cb 0.03 -0.77 0.00 0.00 -0.34 0.00 0.00 43.02 41.93 3hj3 s PHE 266 CO 0.07 -0.28 0.00 0.41 -1.46 0.00 0.00 175.22 173.96 3hj3 n GLY 267 N 4.61 -2.53 3.59 13.12 0.00 0.07 -5.01 105.19 119.04 3hj3 n GLY 267 Ca -0.16 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 3hj3 n GLY 267 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hj3 s GLN 268 N -0.74 1.36 0.10 1.61 -1.52 -0.83 -4.98 119.66 114.65 3hj3 s GLN 268 Ca 0.00 -0.61 -0.13 0.00 -1.95 0.00 0.00 55.36 52.67 3hj3 s GLN 268 Cb 0.00 0.55 0.02 0.00 -0.22 0.00 0.00 33.01 33.36 3hj3 s GLN 268 CO 0.00 -0.61 0.30 0.00 -0.25 0.00 0.00 175.29 174.73 3hj3 s MET 269 N -3.67 0.93 -0.00 2.91 0.23 -1.26 -0.50 119.30 117.93 3hj3 s MET 269 Ca 0.05 -0.78 0.01 0.00 -1.03 0.00 0.00 55.69 53.94 3hj3 s MET 269 Cb -0.02 0.40 0.00 0.00 -1.53 0.00 0.00 34.83 33.67 3hj3 s MET 269 CO -0.05 -0.33 -0.02 -1.64 -2.03 0.00 0.00 175.02 170.95 3hj3 s MET 270 N -3.61 0.17 0.15 3.16 -1.94 -0.36 -4.97 119.30 111.90 3hj3 s MET 270 Ca 0.02 -0.06 0.07 0.00 -1.71 0.00 0.00 55.69 54.01 3hj3 s MET 270 Cb 0.03 -0.18 -0.04 0.00 2.01 0.00 0.00 34.83 36.65 3hj3 s MET 270 CO -0.10 0.03 -0.02 1.03 -0.01 0.00 0.00 175.02 175.95 3hj3 s ARG 271 N 0.02 2.37 -0.12 2.03 0.52 -1.26 -0.17 118.95 122.34 3hj3 s ARG 271 Ca 0.00 -1.06 -0.07 0.00 -0.52 0.00 0.00 55.73 54.08 3hj3 s ARG 271 Cb -0.02 -2.37 0.05 0.00 0.52 0.00 0.00 34.95 33.13 3hj3 s ARG 271 CO -0.00 0.47 0.29 -0.06 0.02 0.00 0.00 175.30 176.03 3hj3 s PHE 272 N -1.59 -0.40 0.44 -0.53 0.08 -0.05 -4.81 117.98 111.13 3hj3 s PHE 272 Ca 0.26 0.91 -0.23 0.00 0.12 0.00 0.00 56.93 58.00 3hj3 s PHE 272 Cb -0.10 0.11 -0.08 0.00 -0.57 0.00 0.00 43.02 42.38 3hj3 s PHE 272 CO 0.18 -0.25 1.08 0.34 -0.10 0.00 0.00 175.22 176.46 3hj3 s ASP 273 N 1.16 6.46 0.00 1.36 -1.08 -1.26 -1.56 116.67 121.76 3hj3 s ASP 273 Ca -0.08 2.09 0.00 0.00 -0.52 0.00 0.00 52.55 54.03 3hj3 s ASP 273 Cb -0.09 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 3hj3 s ASP 273 CO -0.09 -0.70 0.16 0.23 0.52 0.00 0.00 175.17 175.30 3hj3 n MET 274 N -0.44 0.21 0.11 4.34 2.81 -0.53 -4.55 117.12 119.06 3hj3 n MET 274 Ca 0.07 -0.16 -0.02 0.00 -1.81 0.00 0.00 57.70 55.78 3hj3 n MET 274 Cb 0.50 -0.61 0.21 0.00 -0.71 0.00 0.00 33.22 32.61 3hj3 n MET 274 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hj3 h ARG 275 N 0.00 0.18 0.00 0.03 3.08 -1.63 -3.36 114.38 112.68 3hj3 h ARG 275 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3hj3 h ARG 275 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3hj3 h ARG 275 CO 0.00 0.62 0.00 0.39 -1.07 0.00 0.00 179.97 179.91 3hj3 n GLU 276 N -3.97 0.61 -3.86 0.04 -0.58 -1.26 -4.97 120.64 106.64 3hj3 n GLU 276 Ca -0.02 -0.37 -0.03 0.00 -0.42 0.00 0.00 57.16 56.32 3hj3 n GLU 276 Cb 0.52 -0.86 0.01 0.00 -0.57 0.00 0.00 31.44 30.54 3hj3 n GLU 276 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3hj3 s SER 277 N -0.19 -0.02 -0.16 1.62 1.04 -1.26 -3.68 113.70 111.06 3hj3 s SER 277 Ca 0.00 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3hj3 s SER 277 Cb 0.00 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 3hj3 s SER 277 CO 0.00 -0.97 -0.15 0.12 0.98 0.00 0.00 173.24 173.22 3hj3 s PHE 278 N -2.30 2.79 -1.36 5.02 5.36 -0.45 -4.27 117.98 122.76 3hj3 s PHE 278 Ca 0.21 -1.05 -0.08 0.00 -0.96 0.00 0.00 56.93 55.04 3hj3 s PHE 278 Cb -0.02 -1.90 -0.07 0.00 -0.34 0.00 0.00 43.02 40.69 3hj3 s PHE 278 CO 0.05 -0.48 2.64 -0.35 -1.46 0.00 0.00 175.22 175.62 3hj3 n PRO 279 N 4.09 3.09 -3.45 10.12 -0.04 -1.26 -3.92 135.00 143.64 3hj3 n PRO 279 Ca -0.19 -1.93 -0.39 0.00 -0.04 0.00 0.00 63.50 60.95 3hj3 n PRO 279 Cb 0.52 -2.68 -0.09 0.00 -0.04 0.00 0.00 33.50 31.21 3hj3 n PRO 279 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hj3 s LEU 280 N 0.17 4.05 0.21 1.53 2.96 -1.26 -4.35 118.68 121.99 3hj3 s LEU 280 Ca 0.58 0.23 -0.32 0.00 -0.22 0.00 0.00 54.13 54.41 3hj3 s LEU 280 Cb 0.15 -2.35 -0.14 0.00 0.50 0.00 0.00 46.19 44.35 3hj3 s LEU 280 CO -0.05 -0.13 1.37 0.18 -1.32 0.00 0.00 176.35 176.40 3hj3 n LEU 281 N 5.15 2.76 0.01 -0.68 4.77 -1.26 -4.67 117.00 123.08 3hj3 n LEU 281 Ca -0.10 1.14 0.11 0.00 -0.03 0.00 0.00 56.01 57.13 3hj3 n LEU 281 Cb 0.51 -1.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.11 3hj3 n LEU 281 CO 0.36 -0.64 -0.41 0.35 -1.33 0.00 0.00 177.39 175.72 3hj3 n THR 282 N 1.98 0.09 1.83 -5.08 -2.24 -1.26 -4.36 114.28 105.25 3hj3 n THR 282 Ca 0.13 -0.36 0.07 0.00 -2.27 0.00 0.00 64.05 61.61 3hj3 n THR 282 Cb 0.30 0.19 0.42 0.00 -2.10 0.00 0.00 70.33 69.14 3hj3 n THR 282 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hj3 n THR 283 N -2.11 0.00 -3.63 4.28 -2.24 -1.26 -1.90 114.28 107.42 3hj3 n THR 283 Ca -0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 3hj3 n THR 283 Cb 0.50 -0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.38 3hj3 n THR 283 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3hj3 s LYS 284 N -2.00 0.64 0.10 -0.78 -2.85 -1.26 -4.60 119.74 109.00 3hj3 s LYS 284 Ca 0.21 0.78 -0.31 0.00 -1.00 0.00 0.00 55.97 55.66 3hj3 s LYS 284 Cb 0.10 0.30 -0.10 0.00 -2.06 0.00 0.00 37.83 36.08 3hj3 s LYS 284 CO 0.16 -0.08 1.76 0.21 0.10 0.00 0.00 175.35 177.50 3hj3 s LYS 285 N 0.36 4.16 -0.09 1.78 2.20 -0.48 -4.70 119.74 122.98 3hj3 s LYS 285 Ca 0.01 2.49 -0.01 0.00 -0.36 0.00 0.00 55.97 58.11 3hj3 s LYS 285 Cb -0.05 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 3hj3 s LYS 285 CO -0.04 -0.80 -0.05 0.08 -0.36 0.00 0.00 175.35 174.18 3hj3 s VAL 286 N 2.70 3.88 -0.46 4.02 1.01 -1.26 -4.59 120.40 125.70 3hj3 s VAL 286 Ca 0.78 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 3hj3 s VAL 286 Cb -0.44 -2.62 -0.21 0.00 0.00 0.00 0.00 36.38 33.12 3hj3 s VAL 286 CO 0.35 0.58 1.75 0.00 0.00 0.00 0.00 175.10 177.79 3hj3 n ALA 287 N 2.40 2.43 -0.20 5.51 0.00 -1.26 -4.72 120.51 124.67 3hj3 n ALA 287 Ca -0.18 -2.68 0.07 0.00 0.00 0.00 0.00 53.44 50.64 3hj3 n ALA 287 Cb 0.53 -3.51 0.35 0.00 0.00 0.00 0.00 19.45 16.81 3hj3 n ALA 287 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3hj3 h ILE 288 N 4.50 1.01 -0.09 0.00 6.09 -2.00 -2.43 117.51 124.59 3hj3 h ILE 288 Ca 0.34 -0.27 -0.01 0.00 -1.37 0.00 0.00 64.86 63.55 3hj3 h ILE 288 Cb 0.57 0.17 -0.00 0.00 0.47 0.00 0.00 36.82 38.03 3hj3 h ILE 288 CO 1.86 0.14 0.01 -0.09 -3.07 0.00 0.00 178.15 177.00 3hj3 h ARG 289 N 0.77 0.15 0.00 2.19 2.43 -2.00 -1.52 114.38 116.40 3hj3 h ARG 289 Ca 0.33 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3hj3 h ARG 289 Cb 0.28 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3hj3 h ARG 289 CO -0.11 0.37 -0.01 0.77 -1.51 0.00 0.00 179.97 179.47 3hj3 h SER 290 N -0.08 0.00 -0.02 -3.80 0.02 -1.84 0.58 113.55 108.41 3hj3 h SER 290 Ca 0.03 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 3hj3 h SER 290 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3hj3 h SER 290 CO 0.00 0.01 -0.26 0.40 -1.14 0.00 0.00 176.83 175.84 3hj3 h ILE 291 N 0.00 1.51 -0.72 3.27 2.04 -1.14 -2.34 117.51 120.13 3hj3 h ILE 291 Ca -0.00 -1.86 -0.07 0.00 1.00 0.00 0.00 64.86 63.93 3hj3 h ILE 291 Cb 0.03 2.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 3hj3 h ILE 291 CO 0.00 0.51 0.19 0.15 0.00 0.00 0.00 178.15 179.00 3hj3 h PHE 292 N -0.41 1.19 -0.41 1.37 3.57 -0.10 -1.36 116.94 120.78 3hj3 h PHE 292 Ca -0.03 -0.13 -0.11 0.00 3.53 0.00 0.00 57.97 61.23 3hj3 h PHE 292 Cb 0.98 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3hj3 h PHE 292 CO 0.16 0.95 -0.19 1.49 -2.23 0.00 0.00 178.31 178.50 3hj3 h GLU 293 N 1.08 0.80 -0.53 1.11 4.57 -0.98 -2.12 114.58 118.51 3hj3 h GLU 293 Ca 0.23 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 3hj3 h GLU 293 Cb 0.35 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 3hj3 h GLU 293 CO -0.00 0.92 0.12 1.49 -1.18 0.00 0.00 179.01 180.36 3hj3 h GLU 294 N 0.70 0.85 -0.59 1.92 4.81 -1.22 -2.50 114.58 118.56 3hj3 h GLU 294 Ca 0.10 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3hj3 h GLU 294 Cb 0.70 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 3hj3 h GLU 294 CO 0.05 0.81 0.36 1.25 -0.73 0.00 0.00 179.01 180.76 3hj3 h LEU 295 N 0.74 0.70 0.00 1.64 6.46 -0.82 -1.11 115.31 122.92 3hj3 h LEU 295 Ca 0.16 -0.05 -0.22 0.00 -0.12 0.00 0.00 57.88 57.65 3hj3 h LEU 295 Cb 0.36 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 3hj3 h LEU 295 CO 0.00 0.54 -1.22 -0.29 -0.62 0.00 0.00 178.44 176.85 3hj3 h ILE 296 N 0.79 1.22 -1.02 4.05 6.09 -1.46 -1.25 117.51 125.93 3hj3 h ILE 296 Ca 0.21 -2.92 0.34 0.00 -1.37 0.00 0.00 64.86 61.12 3hj3 h ILE 296 Cb -0.03 2.58 -0.15 0.00 0.47 0.00 0.00 36.82 39.69 3hj3 h ILE 296 CO -0.04 0.69 0.59 -0.25 -3.07 0.00 0.00 178.15 176.07 3hj3 h TRP 297 N 0.00 0.89 0.01 2.19 7.01 -1.25 0.36 115.95 125.16 3hj3 h TRP 297 Ca -0.12 0.04 -0.09 0.00 2.11 0.00 0.00 58.89 60.84 3hj3 h TRP 297 Cb 1.79 -0.23 0.01 0.00 -2.10 0.00 0.00 29.16 28.63 3hj3 h TRP 297 CO 0.00 -0.20 -0.34 0.74 -2.79 0.00 0.00 178.44 175.85 3hj3 h PHE 298 N 0.28 0.33 -0.86 2.65 0.04 -0.59 -1.50 116.94 117.29 3hj3 h PHE 298 Ca 0.75 -0.18 0.03 0.00 2.80 0.00 0.00 57.97 61.36 3hj3 h PHE 298 Cb 1.78 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 39.85 3hj3 h PHE 298 CO -0.01 1.00 0.57 0.82 -0.60 0.00 0.00 178.31 180.09 3hj3 h ILE 299 N -0.44 1.16 0.00 -0.55 2.04 -0.95 0.79 117.51 119.56 3hj3 h ILE 299 Ca -0.04 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3hj3 h ILE 299 Cb 1.10 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3hj3 h ILE 299 CO 0.07 0.20 0.00 0.29 0.00 0.00 0.00 178.15 178.71 3hj3 n LYS 300 N -4.44 0.15 -0.73 2.37 5.02 0.09 -4.88 118.16 115.74 3hj3 n LYS 300 Ca 0.11 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 3hj3 n LYS 300 Cb 0.09 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3hj3 n LYS 300 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hj3 n GLY 301 N 0.53 0.71 3.83 0.72 0.00 0.27 -5.04 105.19 106.21 3hj3 n GLY 301 Ca 0.04 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 3hj3 n GLY 301 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hj3 s ASP 302 N -2.60 6.71 0.00 1.61 2.15 -0.57 -3.86 116.67 120.11 3hj3 s ASP 302 Ca 0.00 0.85 0.04 0.00 0.43 0.00 0.00 52.55 53.87 3hj3 s ASP 302 Cb 0.00 -2.22 0.03 0.00 -0.30 0.00 0.00 42.92 40.43 3hj3 s ASP 302 CO 0.00 0.32 0.59 0.35 -0.17 0.00 0.00 175.17 176.25 3hj3 n THR 303 N 2.01 0.00 -2.38 1.71 -2.24 -1.26 -4.64 114.28 107.48 3hj3 n THR 303 Ca -0.15 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.71 3hj3 n THR 303 Cb 0.53 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.81 3hj3 n THR 303 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hj3 s ASN 304 N -0.41 6.34 0.61 3.42 3.04 -1.26 -2.75 114.94 123.94 3hj3 s ASN 304 Ca 0.04 0.74 0.30 0.00 0.04 0.00 0.00 52.86 53.98 3hj3 s ASN 304 Cb 0.03 -2.54 1.67 0.00 -1.54 0.00 0.00 41.25 38.87 3hj3 s ASN 304 CO 0.06 -1.45 2.04 1.23 -3.04 0.00 0.00 177.10 175.94 3hj3 h GLY 305 N 12.20 0.00 0.92 1.21 0.00 0.43 -2.99 103.07 114.84 3hj3 h GLY 305 Ca -0.27 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3hj3 h GLY 305 CO 1.10 0.00 0.08 3.43 0.00 0.00 0.00 176.54 181.15 3hj3 h ASN 306 N 0.00 0.55 -0.89 0.19 -0.26 -1.90 -3.01 115.58 110.25 3hj3 h ASN 306 Ca 0.09 -0.24 0.24 0.00 -0.56 0.00 0.00 56.30 55.83 3hj3 h ASN 306 Cb 0.65 -0.14 -0.05 0.00 -1.06 0.00 0.00 38.32 37.71 3hj3 h ASN 306 CO -0.00 0.65 0.62 0.45 -1.06 0.00 0.00 177.43 178.08 3hj3 h HIS 307 N 0.43 0.20 0.06 1.19 3.86 -1.92 0.57 115.15 119.52 3hj3 h HIS 307 Ca 0.11 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3hj3 h HIS 307 Cb 0.32 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3hj3 h HIS 307 CO 0.02 0.04 -0.03 -0.07 0.86 0.00 0.00 177.93 178.76 3hj3 h LEU 308 N 0.14 -0.06 -0.95 2.43 4.07 -1.71 -3.13 115.31 116.11 3hj3 h LEU 308 Ca 0.44 -0.58 0.07 0.00 0.08 0.00 0.00 57.88 57.88 3hj3 h LEU 308 Cb 1.51 0.02 -0.07 0.00 1.08 0.00 0.00 40.66 43.20 3hj3 h LEU 308 CO -0.07 0.62 0.60 0.40 -1.08 0.00 0.00 178.44 178.91 3hj3 h ILE 309 N -0.82 1.06 -0.53 1.22 2.04 -1.11 0.17 117.51 119.54 3hj3 h ILE 309 Ca -0.01 -0.37 0.11 0.00 1.00 0.00 0.00 64.86 65.59 3hj3 h ILE 309 Cb 0.64 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3hj3 h ILE 309 CO 0.01 0.20 0.37 -0.33 0.00 0.00 0.00 178.15 178.40 3hj3 h GLU 310 N 1.09 0.25 -0.64 2.37 5.08 -0.01 0.20 114.58 122.92 3hj3 h GLU 310 Ca 0.41 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3hj3 h GLU 310 Cb 0.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3hj3 h GLU 310 CO -0.18 0.16 0.00 1.63 -1.00 0.00 0.00 179.01 179.63 3hj3 n LYS 311 N -4.45 4.29 -3.32 2.33 5.02 0.48 -4.92 118.16 117.59 3hj3 n LYS 311 Ca 0.09 -2.70 -0.18 0.00 -2.02 0.00 0.00 58.31 53.50 3hj3 n LYS 311 Cb 0.42 -2.14 0.07 0.00 -0.02 0.00 0.00 35.03 33.36 3hj3 n LYS 311 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hj3 n LYS 312 N 0.58 -6.15 -3.91 1.97 5.02 0.71 -4.98 118.16 111.39 3hj3 n LYS 312 Ca 0.24 0.68 -0.30 0.00 -2.02 0.00 0.00 58.31 56.91 3hj3 n LYS 312 Cb 1.05 -5.25 -0.15 0.00 -0.02 0.00 0.00 35.03 30.65 3hj3 n LYS 312 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hj3 s VAL 313 N -3.27 1.55 -1.09 -0.18 1.01 -0.57 -5.00 120.40 112.84 3hj3 s VAL 313 Ca 0.32 -1.51 0.18 0.00 0.00 0.00 0.00 61.98 60.98 3hj3 s VAL 313 Cb -0.14 -1.96 0.73 0.00 0.00 0.00 0.00 36.38 35.00 3hj3 s VAL 313 CO 0.59 -0.34 1.64 -1.22 0.00 0.00 0.00 175.10 175.77 3hj3 n TYR 314 N 4.62 1.52 0.21 5.22 4.01 -1.26 -3.13 117.16 128.35 3hj3 n TYR 314 Ca -0.06 -0.62 0.05 0.00 -0.16 0.00 0.00 57.90 57.11 3hj3 n TYR 314 Cb 0.43 -0.26 0.50 0.00 -0.31 0.00 0.00 39.34 39.71 3hj3 n TYR 314 CO 0.00 0.00 0.00 -0.84 -0.46 0.00 0.00 176.86 175.56 3hj3 h ILE 315 N 4.09 1.13 -0.83 -0.72 3.07 -1.96 -2.71 117.51 119.57 3hj3 h ILE 315 Ca 0.00 -0.59 -0.49 0.00 1.55 0.00 0.00 64.86 65.34 3hj3 h ILE 315 Cb 1.48 1.29 -0.27 0.00 -0.27 0.00 0.00 36.82 39.05 3hj3 h ILE 315 CO 0.24 0.17 0.44 0.79 -1.05 0.00 0.00 178.15 178.74 3hj3 n TRP 316 N -4.34 2.64 -0.08 0.16 7.02 -1.26 -4.53 117.44 117.06 3hj3 n TRP 316 Ca -0.02 -2.13 -0.11 0.00 -1.02 0.00 0.00 57.50 54.23 3hj3 n TRP 316 Cb 0.23 -0.93 -0.06 0.00 -2.42 0.00 0.00 31.31 28.13 3hj3 n TRP 316 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 3hj3 h SER 317 N 1.34 0.00 -0.91 -0.99 0.02 -1.82 -3.21 113.55 107.97 3hj3 h SER 317 Ca 0.52 -0.27 0.26 0.00 -0.84 0.00 0.00 61.79 61.45 3hj3 h SER 317 Cb 1.98 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.48 3hj3 h SER 317 CO 1.04 0.98 0.65 1.23 -1.14 0.00 0.00 176.83 179.59 3hj3 h GLY 318 N -1.00 0.15 0.31 -3.77 0.00 -1.79 0.98 103.07 97.94 3hj3 h GLY 318 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3hj3 h GLY 318 CO -0.07 -0.01 -0.58 0.70 0.00 0.00 0.00 176.54 176.59 3hj3 n ASN 319 N -4.31 0.95 -0.93 0.19 4.13 -1.26 -4.05 115.26 109.98 3hj3 n ASN 319 Ca 0.19 -0.75 0.08 0.00 1.68 0.00 0.00 54.58 55.78 3hj3 n ASN 319 Cb 0.94 0.45 0.25 0.00 -1.54 0.00 0.00 39.78 39.88 3hj3 n ASN 319 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hj3 n GLY 320 N 1.46 3.64 3.98 7.41 0.00 0.32 -4.71 105.19 117.29 3hj3 n GLY 320 Ca 0.07 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 3hj3 n GLY 320 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hj3 s SER 321 N -1.61 5.75 0.11 1.61 1.04 -1.13 0.20 113.70 119.67 3hj3 s SER 321 Ca 0.39 -0.05 -0.26 0.00 0.48 0.00 0.00 55.95 56.50 3hj3 s SER 321 Cb 0.30 -1.16 -0.08 0.00 0.10 0.00 0.00 66.02 65.18 3hj3 s SER 321 CO 0.12 -0.70 1.65 0.50 0.98 0.00 0.00 173.24 175.78 3hj3 h LYS 322 N 0.55 -0.41 0.22 4.02 1.63 -1.94 -1.09 116.57 119.55 3hj3 h LYS 322 Ca -0.44 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 3hj3 h LYS 322 Cb 1.27 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.98 3hj3 h LYS 322 CO 0.53 -0.27 -0.19 0.93 -3.45 0.00 0.00 179.45 177.00 3hj3 h GLU 323 N -0.43 -0.41 -0.01 1.90 3.07 -1.96 -1.81 114.58 114.94 3hj3 h GLU 323 Ca 0.03 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.94 3hj3 h GLU 323 Cb 0.46 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 3hj3 h GLU 323 CO -0.15 -0.27 -0.11 -0.92 -1.40 0.00 0.00 179.01 176.16 3hj3 h TYR 324 N -0.42 -0.28 -0.51 4.33 3.20 -1.84 0.30 116.97 121.75 3hj3 h TYR 324 Ca -0.01 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.02 3hj3 h TYR 324 Cb 0.38 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3hj3 h TYR 324 CO -0.13 -0.17 0.38 -0.07 -1.64 0.00 0.00 178.16 176.53 3hj3 h LEU 325 N -0.18 0.00 0.17 2.82 4.07 -1.06 -2.43 115.31 118.69 3hj3 h LEU 325 Ca 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 3hj3 h LEU 325 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 3hj3 h LEU 325 CO -0.12 0.00 -0.08 -0.08 -1.08 0.00 0.00 178.44 177.08 3hj3 h GLU 326 N 0.00 -0.22 0.00 1.13 4.57 -0.27 0.88 114.58 120.67 3hj3 h GLU 326 Ca 0.24 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3hj3 h GLU 326 Cb 1.00 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3hj3 h GLU 326 CO -0.00 -0.15 0.55 -0.09 -1.18 0.00 0.00 179.01 178.14 3hj3 h ARG 327 N -0.51 0.00 -0.02 1.92 2.43 -0.01 0.32 114.38 118.51 3hj3 h ARG 327 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hj3 h ARG 327 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3hj3 h ARG 327 CO 0.04 0.00 -0.00 0.44 -1.51 0.00 0.00 179.97 178.94 3hj3 n ILE 328 N -2.65 0.00 -0.33 1.20 -5.35 -0.99 -4.99 119.36 106.26 3hj3 n ILE 328 Ca -0.01 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 3hj3 n ILE 328 Cb 0.58 1.27 0.00 0.00 -1.74 0.00 0.00 39.64 39.75 3hj3 n ILE 328 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hj3 n GLY 329 N 0.73 1.07 1.90 3.28 0.00 0.11 -4.98 105.19 107.31 3hj3 n GLY 329 Ca 0.08 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3hj3 n GLY 329 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hj3 n LEU 330 N 0.00 4.08 -0.20 0.99 4.77 0.30 -4.81 117.00 122.14 3hj3 n LEU 330 Ca 0.00 -4.34 0.08 0.00 -0.03 0.00 0.00 56.01 51.72 3hj3 n LEU 330 Cb 0.04 -0.26 0.37 0.00 -2.33 0.00 0.00 43.42 41.24 3hj3 n LEU 330 CO 0.00 1.83 1.22 1.23 -1.33 0.00 0.00 177.39 180.34 3hj3 h GLY 331 N 2.03 0.98 -0.41 -0.72 0.00 -1.71 -2.22 103.07 101.02 3hj3 h GLY 331 Ca 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3hj3 h GLY 331 CO 0.56 0.18 0.00 -2.39 0.00 0.00 0.00 176.54 174.89 3hj3 n HIS 332 N -4.49 0.00 -4.58 5.60 1.44 -1.26 -4.81 115.22 107.11 3hj3 n HIS 332 Ca 0.12 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.49 3hj3 n HIS 332 Cb 0.30 -0.02 -0.11 0.00 0.12 0.00 0.00 29.99 30.28 3hj3 n HIS 332 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 3hj3 s ARG 333 N -1.59 2.81 0.53 -1.40 6.06 -0.84 -5.09 118.95 119.43 3hj3 s ARG 333 Ca 0.00 -0.52 -0.22 0.00 -2.50 0.00 0.00 55.73 52.49 3hj3 s ARG 333 Cb 0.00 -2.63 -0.06 0.00 0.06 0.00 0.00 34.95 32.32 3hj3 s ARG 333 CO 0.00 0.66 1.22 -1.91 -2.50 0.00 0.00 175.30 172.77 3hj3 n GLU 334 N 2.24 1.52 -1.60 5.12 2.13 -1.26 -4.86 120.64 123.93 3hj3 n GLU 334 Ca -0.18 0.56 -0.50 0.00 0.66 0.00 0.00 57.16 57.70 3hj3 n GLU 334 Cb 0.53 -2.40 -0.05 0.00 0.27 0.00 0.00 31.44 29.79 3hj3 n GLU 334 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3hj3 n GLU 335 N -0.73 1.28 -1.02 5.31 2.13 -1.26 -1.50 120.64 124.86 3hj3 n GLU 335 Ca 0.10 0.46 -0.01 0.00 0.66 0.00 0.00 57.16 58.38 3hj3 n GLU 335 Cb 0.44 -2.05 -0.00 0.00 0.27 0.00 0.00 31.44 30.09 3hj3 n GLU 335 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hj3 n ASN 336 N 2.34 -4.99 -4.55 4.31 5.03 0.13 -4.89 115.26 112.64 3hj3 n ASN 336 Ca 0.16 0.02 -0.40 0.00 0.87 0.00 0.00 54.58 55.23 3hj3 n ASN 336 Cb 0.23 -2.55 -0.03 0.00 -1.02 0.00 0.00 39.78 36.41 3hj3 n ASN 336 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3hj3 s ASP 337 N -2.04 5.75 0.19 6.41 3.68 -0.56 0.11 116.67 130.20 3hj3 s ASP 337 Ca 0.00 0.04 0.24 0.00 2.13 0.00 0.00 52.55 54.96 3hj3 s ASP 337 Cb 0.00 -2.54 0.34 0.00 -1.45 0.00 0.00 42.92 39.26 3hj3 s ASP 337 CO 0.00 -2.07 1.36 -0.07 0.13 0.00 0.00 175.17 174.52 3hj3 h LEU 338 N 14.60 0.00 0.00 -1.34 3.38 -1.83 -3.46 115.31 126.66 3hj3 h LEU 338 Ca -0.27 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3hj3 h LEU 338 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hj3 h LEU 338 CO 1.23 0.06 0.00 0.61 0.09 0.00 0.00 178.44 180.43 3hj3 n GLY 339 N 1.27 -3.55 2.48 0.83 0.00 -1.26 0.01 105.19 104.97 3hj3 n GLY 339 Ca 0.03 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 3hj3 n GLY 339 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hj3 n PRO 340 N -0.04 2.98 0.00 1.61 -0.04 -1.26 -4.81 135.00 133.45 3hj3 n PRO 340 Ca 0.00 -1.94 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 3hj3 n PRO 340 Cb 0.00 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 3hj3 n PRO 340 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3hj3 n ILE 341 N 3.99 0.00 -0.15 0.52 -5.35 -1.26 -4.43 119.36 112.68 3hj3 n ILE 341 Ca 0.64 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 63.09 3hj3 n ILE 341 Cb 0.21 -0.18 0.04 0.00 -1.74 0.00 0.00 39.64 37.97 3hj3 n ILE 341 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3hj3 h TYR 342 N -0.00 -0.14 0.00 4.28 0.05 -1.92 -1.59 116.97 117.65 3hj3 h TYR 342 Ca 0.00 0.04 -0.23 0.00 0.05 0.00 0.00 58.73 58.59 3hj3 h TYR 342 Cb 0.00 0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 3hj3 h TYR 342 CO 0.00 -0.15 -1.14 0.78 -1.05 0.00 0.00 178.16 176.59 3hj3 h GLY 343 N 0.05 0.00 0.49 3.88 0.00 -1.84 -1.75 103.07 103.91 3hj3 h GLY 343 Ca 0.23 -0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.61 3hj3 h GLY 343 CO -0.44 0.00 -0.06 -2.75 0.00 0.00 0.00 176.54 173.30 3hj3 h PHE 344 N 0.00 -0.12 -0.21 5.60 3.04 -1.41 -1.13 116.94 122.71 3hj3 h PHE 344 Ca -0.07 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.82 3hj3 h PHE 344 Cb 1.82 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 40.41 3hj3 h PHE 344 CO 0.00 -0.10 -0.25 1.96 -2.02 0.00 0.00 178.31 177.90 3hj3 h GLN 345 N 0.01 0.38 -0.04 1.11 1.08 -1.17 1.03 115.11 117.51 3hj3 h GLN 345 Ca 0.13 -0.14 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 3hj3 h GLN 345 Cb 0.19 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3hj3 h GLN 345 CO -0.26 0.61 -0.31 -1.49 -0.95 0.00 0.00 178.83 176.42 3hj3 h TRP 346 N 0.34 0.09 0.00 2.96 4.06 -0.96 -2.88 115.95 119.55 3hj3 h TRP 346 Ca 0.05 -0.02 -0.10 0.00 2.06 0.00 0.00 58.89 60.89 3hj3 h TRP 346 Cb 0.63 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.75 3hj3 h TRP 346 CO 0.02 0.39 -1.62 0.54 -3.56 0.00 0.00 178.44 174.20 3hj3 n ARG 347 N -4.14 1.33 -2.70 0.49 5.12 -0.46 -1.05 116.66 115.24 3hj3 n ARG 347 Ca -0.02 -0.05 -0.07 0.00 -1.93 0.00 0.00 57.85 55.78 3hj3 n ARG 347 Cb 0.37 -1.27 0.06 0.00 -1.16 0.00 0.00 32.46 30.46 3hj3 n ARG 347 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hj3 n HIS 348 N -2.15 0.29 -1.68 -1.55 8.25 0.35 -3.37 115.22 115.37 3hj3 n HIS 348 Ca -0.10 -2.47 -0.58 0.00 -0.26 0.00 0.00 57.72 54.31 3hj3 n HIS 348 Cb 0.58 0.13 -0.07 0.00 1.12 0.00 0.00 29.99 31.74 3hj3 n HIS 348 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3hj3 n TYR 349 N -0.32 1.77 -0.90 4.41 9.36 -0.74 -0.45 117.16 130.29 3hj3 n TYR 349 Ca 0.05 0.71 0.00 0.00 3.32 0.00 0.00 57.90 61.98 3hj3 n TYR 349 Cb 0.83 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 37.17 3hj3 n TYR 349 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3hj3 n ASN 350 N 4.22 -2.56 -4.74 2.98 3.02 -1.26 -1.06 115.26 115.87 3hj3 n ASN 350 Ca 0.25 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.50 3hj3 n ASN 350 Cb 0.10 -1.59 0.12 0.00 -0.61 0.00 0.00 39.78 37.81 3hj3 n ASN 350 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hj3 s GLY 351 N -2.00 1.64 -0.21 7.41 0.00 0.40 -4.82 107.32 109.73 3hj3 s GLY 351 Ca 0.00 0.04 -0.28 0.00 0.00 0.00 0.00 44.72 44.48 3hj3 s GLY 351 CO 0.00 0.48 0.96 1.85 0.00 0.00 0.00 173.10 176.39 3hj3 s GLU 352 N -4.93 4.27 -0.70 2.90 2.12 -1.26 -4.98 118.70 116.12 3hj3 s GLU 352 Ca 0.63 1.23 -0.27 0.00 0.36 0.00 0.00 54.97 56.92 3hj3 s GLU 352 Cb -0.18 -3.62 0.03 0.00 0.26 0.00 0.00 34.13 30.62 3hj3 s GLU 352 CO 0.57 -0.53 1.31 -0.47 -0.54 0.00 0.00 175.26 175.59 3hj3 s TYR 353 N 2.84 2.29 0.00 5.30 5.04 -1.26 -4.92 117.35 126.64 3hj3 s TYR 353 Ca 0.42 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 55.13 3hj3 s TYR 353 Cb -0.16 -4.58 0.00 0.00 0.35 0.00 0.00 41.96 37.58 3hj3 s TYR 353 CO 0.09 -2.02 0.00 1.63 -1.34 0.00 0.00 175.55 173.91 3hj3 n LYS 354 N 9.22 0.00 -4.30 4.97 5.02 -1.26 -5.06 118.16 126.75 3hj3 n LYS 354 Ca 0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.17 3hj3 n LYS 354 Cb 0.49 -0.12 -0.10 0.00 -0.02 0.00 0.00 35.03 35.29 3hj3 n LYS 354 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hj3 s THR 355 N -0.01 0.32 -2.00 -0.18 -4.23 -1.26 -5.01 115.64 103.26 3hj3 s THR 355 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 3hj3 s THR 355 Cb 0.00 -2.55 0.45 0.00 1.34 0.00 0.00 72.50 71.74 3hj3 s THR 355 CO 0.00 0.00 1.36 1.15 -0.54 0.00 0.00 174.62 176.59 3hj3 n MET 356 N -0.48 0.51 -0.01 3.99 0.00 -1.26 -2.82 117.12 117.05 3hj3 n MET 356 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 57.70 57.78 3hj3 n MET 356 Cb 0.65 -1.49 -0.12 0.00 0.00 0.00 0.00 33.22 32.27 3hj3 n MET 356 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 3hj3 n HIS 357 N -0.99 0.00 -0.99 3.17 8.25 -1.26 -4.71 115.22 118.69 3hj3 n HIS 357 Ca 0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.26 3hj3 n HIS 357 Cb 0.05 -0.38 0.13 0.00 1.12 0.00 0.00 29.99 30.92 3hj3 n HIS 357 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hj3 s ASP 358 N -3.85 3.63 -0.20 0.41 1.11 -1.13 -4.98 116.67 111.65 3hj3 s ASP 358 Ca -0.06 2.09 -0.16 0.00 0.18 0.00 0.00 52.55 54.60 3hj3 s ASP 358 Cb 0.09 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 3hj3 s ASP 358 CO 0.64 -2.63 0.42 -0.62 1.18 0.00 0.00 175.17 174.16 3hj3 s ASP 359 N -2.81 6.46 -0.15 0.27 2.15 -1.26 -4.96 116.67 116.38 3hj3 s ASP 359 Ca 0.66 0.55 0.16 0.00 0.43 0.00 0.00 52.55 54.35 3hj3 s ASP 359 Cb -0.22 -2.24 0.65 0.00 -0.30 0.00 0.00 42.92 40.81 3hj3 s ASP 359 CO 0.55 -0.10 1.57 -1.22 -0.17 0.00 0.00 175.17 175.80 3hj3 n TYR 360 N 4.54 1.39 -1.61 -5.34 4.01 -1.26 -4.99 117.16 113.90 3hj3 n TYR 360 Ca -0.08 -0.70 -0.50 0.00 -0.16 0.00 0.00 57.90 56.46 3hj3 n TYR 360 Cb 0.51 -0.31 -0.05 0.00 -0.31 0.00 0.00 39.34 39.18 3hj3 n TYR 360 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3hj3 n THR 361 N 0.50 0.10 -0.18 -0.72 5.66 -1.26 -1.28 114.28 117.10 3hj3 n THR 361 Ca 0.24 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 3hj3 n THR 361 Cb 0.92 -0.98 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 3hj3 n THR 361 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hj3 n GLY 362 N 2.64 2.33 3.86 1.09 0.00 -1.26 -5.02 105.19 108.83 3hj3 n GLY 362 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3hj3 n GLY 362 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hj3 s VAL 363 N -3.07 5.05 0.15 1.61 0.11 -0.40 -4.99 120.40 118.86 3hj3 s VAL 363 Ca 0.00 0.56 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 3hj3 s VAL 363 Cb 0.00 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 3hj3 s VAL 363 CO 0.00 0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 3hj3 n GLY 364 N 1.02 -2.33 3.68 6.54 0.00 -1.26 -4.39 105.19 108.44 3hj3 n GLY 364 Ca -0.08 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 3hj3 n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hj3 s VAL 365 N -2.63 4.78 -0.95 1.61 1.01 -0.22 -4.65 120.40 119.35 3hj3 s VAL 365 Ca 0.00 1.95 -0.21 0.00 0.00 0.00 0.00 61.98 63.72 3hj3 s VAL 365 Cb 0.00 -4.27 0.09 0.00 0.00 0.00 0.00 36.38 32.20 3hj3 s VAL 365 CO 0.00 -0.04 1.25 -0.62 0.00 0.00 0.00 175.10 175.69 3hj3 s ASP 366 N 1.14 6.54 0.13 3.32 3.68 -1.22 -1.78 116.67 128.47 3hj3 s ASP 366 Ca 0.45 -1.71 -0.15 0.00 2.13 0.00 0.00 52.55 53.27 3hj3 s ASP 366 Cb -0.17 -2.47 -0.01 0.00 -1.45 0.00 0.00 42.92 38.82 3hj3 s ASP 366 CO 0.14 -1.28 1.61 1.56 0.13 0.00 0.00 175.17 177.33 3hj3 h GLN 367 N 9.29 0.67 -0.12 4.34 4.20 -1.32 -2.75 115.11 129.42 3hj3 h GLN 367 Ca 0.14 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3hj3 h GLN 367 Cb 1.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 3hj3 h GLN 367 CO 1.24 0.71 -0.00 1.25 -0.67 0.00 0.00 178.83 181.36 3hj3 h LEU 368 N 0.52 0.15 -0.33 1.46 5.85 -1.67 0.65 115.31 121.94 3hj3 h LEU 368 Ca 0.12 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 3hj3 h LEU 368 Cb 0.36 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3hj3 h LEU 368 CO 0.01 0.18 -0.36 0.00 -0.34 0.00 0.00 178.44 177.93 3hj3 h ALA 369 N 1.84 0.49 -0.37 1.25 0.00 -1.80 -2.63 119.26 118.05 3hj3 h ALA 369 Ca 0.04 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3hj3 h ALA 369 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hj3 h ALA 369 CO 0.00 0.57 -0.18 -0.22 0.00 0.00 0.00 179.25 179.42 3hj3 h LYS 370 N 0.61 0.77 -0.06 0.00 3.64 -1.06 -1.93 116.57 118.54 3hj3 h LYS 370 Ca 0.05 -0.34 0.02 0.00 -1.27 0.00 0.00 60.65 59.11 3hj3 h LYS 370 Cb 0.95 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 3hj3 h LYS 370 CO 0.09 0.96 -0.51 1.25 -2.27 0.00 0.00 179.45 178.97 3hj3 h LEU 371 N 0.56 -1.59 -0.56 5.20 6.46 -0.93 0.12 115.31 124.58 3hj3 h LEU 371 Ca 0.08 0.18 0.09 0.00 -0.12 0.00 0.00 57.88 58.12 3hj3 h LEU 371 Cb 0.73 0.61 -0.07 0.00 -0.73 0.00 0.00 40.66 41.20 3hj3 h LEU 371 CO 0.05 -0.47 0.16 0.40 -0.62 0.00 0.00 178.44 177.96 3hj3 h ILE 372 N -0.59 0.73 -0.45 4.05 2.04 -1.30 0.10 117.51 122.10 3hj3 h ILE 372 Ca 0.02 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3hj3 h ILE 372 Cb 0.66 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3hj3 h ILE 372 CO -0.37 0.06 0.30 -0.33 0.00 0.00 0.00 178.15 177.80 3hj3 h GLU 373 N 0.32 0.42 0.19 2.37 4.39 -0.67 -2.31 114.58 119.28 3hj3 h GLU 373 Ca 0.28 -0.03 -0.31 0.00 0.34 0.00 0.00 59.36 59.65 3hj3 h GLU 373 Cb 0.37 -0.10 0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3hj3 h GLU 373 CO -0.33 0.28 -1.49 1.15 -1.16 0.00 0.00 179.01 177.47 3hj3 h THR 374 N 0.44 1.13 -0.75 1.13 2.02 0.16 -1.04 112.91 115.99 3hj3 h THR 374 Ca 0.19 -2.55 0.03 0.00 0.77 0.00 0.00 66.41 64.85 3hj3 h THR 374 Cb 0.20 2.90 -0.04 0.00 -1.74 0.00 0.00 68.15 69.46 3hj3 h THR 374 CO -0.05 0.80 0.50 -0.07 0.37 0.00 0.00 175.52 177.07 3hj3 h LEU 375 N -0.03 0.79 -0.02 2.58 3.38 -0.97 0.21 115.31 121.25 3hj3 h LEU 375 Ca -0.29 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 3hj3 h LEU 375 Cb 2.00 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 42.57 3hj3 h LEU 375 CO 0.18 0.54 -0.38 0.11 0.09 0.00 0.00 178.44 178.98 3hj3 h LYS 376 N 0.92 0.29 0.00 1.13 1.57 -1.40 -3.30 116.57 115.77 3hj3 h LYS 376 Ca 0.30 -0.29 -0.30 0.00 -1.87 0.00 0.00 60.65 58.49 3hj3 h LYS 376 Cb 0.06 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 3hj3 h LYS 376 CO -0.09 0.98 -2.15 0.09 -0.57 0.00 0.00 179.45 177.71 3hj3 n ASN 377 N -4.39 0.23 -2.47 0.86 3.02 -0.40 -4.54 115.26 107.57 3hj3 n ASN 377 Ca -0.10 0.11 -0.20 0.00 -0.03 0.00 0.00 54.58 54.36 3hj3 n ASN 377 Cb 0.56 0.83 0.01 0.00 -0.61 0.00 0.00 39.78 40.58 3hj3 n ASN 377 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hj3 n ASN 378 N -2.77 3.77 -0.31 6.41 4.13 0.72 -4.96 115.26 122.25 3hj3 n ASN 378 Ca -0.25 -3.37 0.17 0.00 1.68 0.00 0.00 54.58 52.81 3hj3 n ASN 378 Cb 1.06 -0.46 0.36 0.00 -1.54 0.00 0.00 39.78 39.20 3hj3 n ASN 378 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 3hj3 h PRO 379 N 2.60 0.19 -0.01 3.52 0.13 -1.62 0.17 132.00 136.97 3hj3 h PRO 379 Ca 0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3hj3 h PRO 379 Cb 1.12 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3hj3 h PRO 379 CO 0.70 0.12 -0.03 1.63 -0.23 0.00 0.00 178.00 180.20 3hj3 n LYS 380 N -5.22 1.33 -1.70 0.86 5.02 -1.26 -4.15 118.16 113.03 3hj3 n LYS 380 Ca 0.25 -0.60 -0.33 0.00 -2.02 0.00 0.00 58.31 55.61 3hj3 n LYS 380 Cb 0.81 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.39 3hj3 n LYS 380 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hj3 s ASP 381 N -2.09 4.94 -0.40 4.39 2.15 0.58 -4.96 116.67 121.28 3hj3 s ASP 381 Ca 0.39 2.07 0.05 0.00 0.43 0.00 0.00 52.55 55.49 3hj3 s ASP 381 Cb 0.21 -2.56 0.63 0.00 -0.30 0.00 0.00 42.92 40.90 3hj3 s ASP 381 CO 0.37 -1.75 1.79 0.54 -0.17 0.00 0.00 175.17 175.95 3hj3 n ARG 382 N -2.45 2.16 -0.52 4.34 1.74 -1.26 -4.53 116.66 116.13 3hj3 n ARG 382 Ca 0.11 -3.06 0.05 0.00 -0.77 0.00 0.00 57.85 54.18 3hj3 n ARG 382 Cb 0.52 -2.08 0.09 0.00 -1.02 0.00 0.00 32.46 29.97 3hj3 n ARG 382 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hj3 n ARG 383 N -1.13 0.76 -2.52 5.56 3.00 -1.26 -4.95 116.66 116.13 3hj3 n ARG 383 Ca 0.52 -2.16 -0.40 0.00 -0.01 0.00 0.00 57.85 55.80 3hj3 n ARG 383 Cb 1.49 -0.99 -0.03 0.00 0.00 0.00 0.00 32.46 32.93 3hj3 n ARG 383 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3hj3 s HIS 384 N -1.65 2.44 -0.04 -1.55 3.76 -1.26 -4.96 115.29 112.02 3hj3 s HIS 384 Ca 0.24 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.55 3hj3 s HIS 384 Cb 0.23 -4.64 0.02 0.00 1.11 0.00 0.00 32.58 29.31 3hj3 s HIS 384 CO -0.03 -1.95 -0.06 0.42 -0.85 0.00 0.00 174.74 172.28 3hj3 s ILE 385 N 5.50 0.62 -0.13 0.60 1.01 -1.26 -1.66 121.20 125.88 3hj3 s ILE 385 Ca 0.47 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.96 3hj3 s ILE 385 Cb -0.02 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.84 3hj3 s ILE 385 CO -0.06 0.24 -0.22 -0.22 0.00 0.00 0.00 174.94 174.68 3hj3 s LEU 386 N 0.82 2.15 0.06 2.97 2.96 -0.19 -4.90 118.68 122.55 3hj3 s LEU 386 Ca -0.12 -0.58 0.06 0.00 -0.22 0.00 0.00 54.13 53.27 3hj3 s LEU 386 Cb -0.14 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3hj3 s LEU 386 CO 0.01 0.10 -0.16 0.28 -1.32 0.00 0.00 176.35 175.26 3hj3 s THR 387 N 0.68 1.26 0.00 3.68 -1.32 -1.26 -0.42 115.64 118.27 3hj3 s THR 387 Ca -0.10 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 3hj3 s THR 387 Cb -0.16 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.67 3hj3 s THR 387 CO 0.01 -0.06 0.00 0.00 -2.21 0.00 0.00 174.62 172.36 3hj3 n ALA 388 N 1.56 0.93 -2.40 11.08 0.00 -0.32 -4.50 120.51 126.87 3hj3 n ALA 388 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 3hj3 n ALA 388 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 3hj3 n ALA 388 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3hj3 s TRP 389 N -0.48 2.20 -0.44 0.00 -0.11 -1.23 -4.82 118.94 114.07 3hj3 s TRP 389 Ca 0.00 0.35 0.04 0.00 1.22 0.00 0.00 56.10 57.71 3hj3 s TRP 389 Cb 0.00 -4.43 0.12 0.00 -1.50 0.00 0.00 33.47 27.66 3hj3 s TRP 389 CO 0.00 -2.04 0.17 1.21 -4.62 0.00 0.00 176.95 171.67 3hj3 s ASN 390 N 4.69 4.48 0.53 5.86 3.84 -1.26 -4.98 114.94 128.10 3hj3 s ASN 390 Ca 0.48 -2.65 0.31 0.00 0.21 0.00 0.00 52.86 51.21 3hj3 s ASN 390 Cb -0.10 -1.62 1.46 0.00 -0.55 0.00 0.00 41.25 40.45 3hj3 s ASN 390 CO 0.21 -0.29 1.90 1.55 -2.79 0.00 0.00 177.10 177.68 3hj3 h PRO 391 N 6.96 0.01 0.00 0.43 0.13 -2.02 0.12 132.00 137.63 3hj3 h PRO 391 Ca -0.06 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3hj3 h PRO 391 Cb 0.94 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 3hj3 h PRO 391 CO 0.62 0.01 -0.01 0.77 -0.23 0.00 0.00 178.00 179.15 3hj3 h SER 392 N 0.01 0.00 -0.01 1.44 0.02 -2.02 -3.26 113.55 109.74 3hj3 h SER 392 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3hj3 h SER 392 Cb 1.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.16 3hj3 h SER 392 CO -0.01 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3hj3 n ALA 393 N -2.10 2.04 -0.10 3.77 0.00 0.40 -4.77 120.51 119.75 3hj3 n ALA 393 Ca -0.01 -1.25 -0.11 0.00 0.00 0.00 0.00 53.44 52.07 3hj3 n ALA 393 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3hj3 n ALA 393 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hj3 h LEU 394 N 0.04 0.50 -1.23 0.00 3.38 -1.59 -3.12 115.31 113.29 3hj3 h LEU 394 Ca 0.00 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.70 3hj3 h LEU 394 Cb 0.58 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3hj3 h LEU 394 CO 0.00 0.68 0.54 0.77 0.09 0.00 0.00 178.44 180.52 3hj3 h SER 395 N 0.30 0.86 0.38 -0.43 4.64 -1.86 0.03 113.55 117.48 3hj3 h SER 395 Ca 0.08 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hj3 h SER 395 Cb 0.42 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3hj3 h SER 395 CO 0.01 0.59 0.00 0.00 -0.87 0.00 0.00 176.83 176.56 3hj3 n GLN 396 N -4.45 0.40 -3.36 4.77 6.02 -1.18 -4.82 117.38 114.75 3hj3 n GLN 396 Ca 0.11 0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.77 3hj3 n GLN 396 Cb 0.12 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.82 3hj3 n GLN 396 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3hj3 s MET 397 N -2.49 4.16 0.52 -1.09 -1.94 -0.00 -4.30 119.30 114.16 3hj3 s MET 397 Ca 0.25 0.52 0.20 0.00 -1.71 0.00 0.00 55.69 54.95 3hj3 s MET 397 Cb 0.16 -3.31 1.31 0.00 2.01 0.00 0.00 34.83 35.00 3hj3 s MET 397 CO 0.35 0.47 2.07 0.00 -0.01 0.00 0.00 175.02 177.90 3hj3 h ALA 398 N 5.45 2.23 -2.12 3.03 0.00 -0.70 -3.41 119.26 123.75 3hj3 h ALA 398 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3hj3 h ALA 398 Cb 1.20 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.79 3hj3 h ALA 398 CO 0.67 -0.30 -0.02 -1.17 0.00 0.00 0.00 179.25 178.44 3hj3 s LEU 399 N -8.94 -0.75 0.22 0.00 2.96 -1.26 -5.06 118.68 105.85 3hj3 s LEU 399 Ca -0.05 1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 54.96 3hj3 s LEU 399 Cb 0.18 2.22 -0.09 0.00 0.50 0.00 0.00 46.19 49.01 3hj3 s LEU 399 CO 0.70 -0.23 1.24 -2.84 -1.32 0.00 0.00 176.35 173.90 3hj3 s PRO 400 N 1.35 4.46 0.43 0.98 0.02 -1.26 -4.91 135.00 136.06 3hj3 s PRO 400 Ca -0.08 1.97 -0.25 0.00 0.02 0.00 0.00 61.00 62.67 3hj3 s PRO 400 Cb -0.05 -3.20 -0.10 0.00 0.02 0.00 0.00 34.50 31.17 3hj3 s PRO 400 CO -0.15 -0.12 1.12 -0.35 -0.33 0.00 0.00 177.00 177.17 3hj3 n PRO 401 N 2.17 1.58 -0.13 5.54 -0.04 -1.26 -4.99 135.00 137.87 3hj3 n PRO 401 Ca 0.04 0.57 -0.26 0.00 -0.04 0.00 0.00 63.50 63.81 3hj3 n PRO 401 Cb 0.44 -2.19 -0.11 0.00 -0.04 0.00 0.00 33.50 31.60 3hj3 n PRO 401 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hj3 s HIS 403 N -2.51 2.38 -0.12 0.00 0.00 -1.26 -2.40 115.29 111.39 3hj3 s HIS 403 Ca -0.37 -0.25 -0.07 0.00 -3.00 0.00 0.00 55.06 51.38 3hj3 s HIS 403 Cb 0.12 -4.59 -0.26 0.00 -4.00 0.00 0.00 32.58 23.86 3hj3 s HIS 403 CO 0.54 -1.99 0.35 0.28 -1.00 0.00 0.00 174.74 172.92 3hj3 n VAL 404 N 6.37 1.78 -3.76 -5.38 0.31 -0.88 -4.72 118.33 112.04 3hj3 n VAL 404 Ca 0.06 -0.65 -0.13 0.00 -0.01 0.00 0.00 64.34 63.61 3hj3 n VAL 404 Cb 0.49 -1.73 -0.11 0.00 -0.91 0.00 0.00 33.84 31.58 3hj3 n VAL 404 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3hj3 s LEU 405 N -7.03 0.77 0.02 7.52 0.20 -1.09 -1.17 118.68 117.89 3hj3 s LEU 405 Ca -0.23 0.58 0.00 0.00 0.69 0.00 0.00 54.13 55.18 3hj3 s LEU 405 Cb 0.07 1.14 -0.02 0.00 -0.43 0.00 0.00 46.19 46.95 3hj3 s LEU 405 CO 0.76 -0.16 -0.03 -0.94 -0.29 0.00 0.00 176.35 175.70 3hj3 s SER 406 N -0.03 0.27 0.13 3.68 1.04 0.45 -0.12 113.70 119.13 3hj3 s SER 406 Ca -0.02 -0.44 0.08 0.00 0.48 0.00 0.00 55.95 56.05 3hj3 s SER 406 Cb -0.03 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 3hj3 s SER 406 CO 0.01 -0.25 -0.19 -1.58 0.98 0.00 0.00 173.24 172.21 3hj3 s GLN 407 N -1.29 1.18 0.14 4.02 0.74 0.20 -1.02 119.66 123.62 3hj3 s GLN 407 Ca -0.13 -1.28 0.05 0.00 0.05 0.00 0.00 55.36 54.04 3hj3 s GLN 407 Cb -0.09 -1.29 -0.04 0.00 1.10 0.00 0.00 33.01 32.69 3hj3 s GLN 407 CO -0.01 0.28 -0.11 0.71 -0.55 0.00 0.00 175.29 175.61 3hj3 s TYR 408 N -1.71 1.27 -0.25 1.67 2.02 -0.66 -1.44 117.35 118.24 3hj3 s TYR 408 Ca 0.11 -0.71 -0.06 0.00 -0.37 0.00 0.00 57.07 56.04 3hj3 s TYR 408 Cb -0.07 -0.65 0.12 0.00 -0.40 0.00 0.00 41.96 40.96 3hj3 s TYR 408 CO 0.05 0.09 0.50 -0.47 -1.57 0.00 0.00 175.55 174.15 3hj3 s TYR 409 N -3.05 -1.07 -0.42 2.71 5.04 -0.72 -4.58 117.35 115.26 3hj3 s TYR 409 Ca 0.14 1.64 -0.21 0.00 -2.44 0.00 0.00 57.07 56.20 3hj3 s TYR 409 Cb 0.01 0.42 0.02 0.00 0.35 0.00 0.00 41.96 42.76 3hj3 s TYR 409 CO 0.01 -0.63 0.66 0.08 -1.34 0.00 0.00 175.55 174.32 3hj3 s VAL 410 N 2.71 4.82 0.92 3.14 1.01 -1.26 -0.68 120.40 131.06 3hj3 s VAL 410 Ca 0.03 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 3hj3 s VAL 410 Cb -0.13 -4.19 0.14 0.00 0.00 0.00 0.00 36.38 32.20 3hj3 s VAL 410 CO -0.16 -0.54 1.10 0.42 0.00 0.00 0.00 175.10 175.91 3hj3 s THR 411 N 2.85 2.55 0.50 3.92 -4.23 0.90 -4.79 115.64 117.33 3hj3 s THR 411 Ca 0.24 0.18 0.24 0.00 -1.18 0.00 0.00 61.69 61.17 3hj3 s THR 411 Cb -0.14 -2.48 0.29 0.00 1.34 0.00 0.00 72.50 71.51 3hj3 s THR 411 CO 0.18 -0.23 2.13 0.78 -0.54 0.00 0.00 174.62 176.94 3hj3 h ASN 412 N -1.71 0.00 -0.72 3.99 -0.26 -1.97 -2.23 115.58 112.68 3hj3 h ASN 412 Ca -0.48 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 54.94 3hj3 h ASN 412 Cb 1.28 0.00 -0.19 0.00 -1.06 0.00 0.00 38.32 38.35 3hj3 h ASN 412 CO 0.50 0.08 0.40 -0.90 -1.06 0.00 0.00 177.43 176.45 3hj3 n ASP 413 N -3.95 3.88 -2.22 5.81 5.75 -1.26 -4.92 116.55 119.63 3hj3 n ASP 413 Ca -0.02 -3.16 -0.16 0.00 -0.01 0.00 0.00 54.79 51.44 3hj3 n ASP 413 Cb 0.17 -0.74 0.02 0.00 -1.03 0.00 0.00 41.12 39.54 3hj3 n ASP 413 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3hj3 n ASN 414 N -0.51 -4.88 -4.73 -1.12 3.02 -0.84 -4.92 115.26 101.29 3hj3 n ASN 414 Ca 0.42 -0.20 -0.29 0.00 -0.03 0.00 0.00 54.58 54.48 3hj3 n ASN 414 Cb 1.34 -3.75 -0.07 0.00 -0.61 0.00 0.00 39.78 36.69 3hj3 n ASN 414 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hj3 s LEU 416 N -2.58 3.63 0.22 0.00 2.96 0.20 -0.07 118.68 123.04 3hj3 s LEU 416 Ca 0.28 -0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.24 3hj3 s LEU 416 Cb -0.11 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 3hj3 s LEU 416 CO 0.21 0.10 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.84 3hj3 s SER 417 N 0.81 4.36 -0.01 3.68 0.01 0.14 0.56 113.70 123.24 3hj3 s SER 417 Ca 0.03 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.70 3hj3 s SER 417 Cb -0.14 -0.76 -0.01 0.00 0.21 0.00 0.00 66.02 65.33 3hj3 s SER 417 CO 0.02 0.06 -0.10 0.00 0.41 0.00 0.00 173.24 173.63 3hj3 s ASN 419 N -0.22 3.86 -0.02 0.00 0.02 -0.52 -1.21 114.94 116.84 3hj3 s ASN 419 Ca 0.04 -0.29 0.02 0.00 -1.02 0.00 0.00 52.86 51.61 3hj3 s ASN 419 Cb -0.04 -0.73 0.00 0.00 0.02 0.00 0.00 41.25 40.50 3hj3 s ASN 419 CO -0.00 0.32 -0.07 -0.22 0.02 0.00 0.00 177.10 177.14 3hj3 s LEU 420 N -0.93 1.76 -0.23 0.60 2.96 -0.56 -0.63 118.68 121.64 3hj3 s LEU 420 Ca 0.12 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.82 3hj3 s LEU 420 Cb -0.11 -0.46 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 3hj3 s LEU 420 CO 0.02 0.05 0.04 -0.47 -1.32 0.00 0.00 176.35 174.66 3hj3 s TYR 421 N 0.23 3.06 -0.32 5.38 5.04 0.83 -1.00 117.35 130.58 3hj3 s TYR 421 Ca -0.03 -0.49 0.02 0.00 -2.44 0.00 0.00 57.07 54.12 3hj3 s TYR 421 Cb -0.08 -2.18 0.08 0.00 0.35 0.00 0.00 41.96 40.13 3hj3 s TYR 421 CO 0.00 -0.34 0.02 -0.65 -1.34 0.00 0.00 175.55 173.23 3hj3 s GLN 422 N 1.42 1.95 0.38 4.97 -0.21 0.07 -2.07 119.66 126.16 3hj3 s GLN 422 Ca 0.05 -1.60 0.05 0.00 0.02 0.00 0.00 55.36 53.88 3hj3 s GLN 422 Cb -0.15 -3.16 0.74 0.00 1.00 0.00 0.00 33.01 31.44 3hj3 s GLN 422 CO 0.02 -0.79 2.00 0.07 -2.12 0.00 0.00 175.29 174.47 3hj3 h ARG 423 N 7.79 0.62 -3.24 2.91 0.11 -1.74 0.50 114.38 121.33 3hj3 h ARG 423 Ca -0.13 -0.06 -0.20 0.00 0.10 0.00 0.00 59.98 59.69 3hj3 h ARG 423 Cb 1.04 -0.13 -0.29 0.00 1.11 0.00 0.00 29.97 31.70 3hj3 h ARG 423 CO 0.53 0.46 -0.53 0.45 0.10 0.00 0.00 179.97 180.97 3hj3 s SER 424 N -6.64 -0.18 -0.22 0.08 0.15 -1.26 0.24 113.70 105.88 3hj3 s SER 424 Ca -0.09 0.37 -0.08 0.00 0.70 0.00 0.00 55.95 56.86 3hj3 s SER 424 Cb 0.17 0.31 0.10 0.00 -1.71 0.00 0.00 66.02 64.89 3hj3 s SER 424 CO 0.75 -0.11 0.46 0.00 1.20 0.00 0.00 173.24 175.54 3hj3 s ASP 426 N 2.61 6.48 0.09 0.00 3.68 -1.26 -2.97 116.67 125.29 3hj3 s ASP 426 Ca -0.03 0.16 -0.26 0.00 2.13 0.00 0.00 52.55 54.55 3hj3 s ASP 426 Cb -0.12 -2.54 -0.16 0.00 -1.45 0.00 0.00 42.92 38.65 3hj3 s ASP 426 CO -0.14 -1.41 1.71 -0.07 0.13 0.00 0.00 175.17 175.38 3hj3 h LEU 427 N 11.70 -0.22 -0.45 -1.34 -0.00 -1.74 0.11 115.31 123.38 3hj3 h LEU 427 Ca -0.25 0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.73 3hj3 h LEU 427 Cb 1.06 0.06 -0.10 0.00 -0.00 0.00 0.00 40.66 41.68 3hj3 h LEU 427 CO 1.17 -0.16 -0.30 1.23 -0.00 0.00 0.00 178.44 180.38 3hj3 h GLY 428 N -0.25 -0.13 0.00 0.83 0.00 -1.90 -3.35 103.07 98.27 3hj3 h GLY 428 Ca -0.02 0.38 -0.16 0.00 0.00 0.00 0.00 47.33 47.52 3hj3 h GLY 428 CO 0.04 -0.21 -1.49 1.04 0.00 0.00 0.00 176.54 175.92 3hj3 n LEU 429 N -5.42 0.81 0.05 3.11 4.32 -1.17 -4.73 117.00 113.98 3hj3 n LEU 429 Ca 0.02 0.14 -0.10 0.00 -0.02 0.00 0.00 56.01 56.05 3hj3 n LEU 429 Cb 0.33 -0.33 0.03 0.00 -1.62 0.00 0.00 43.42 41.83 3hj3 n LEU 429 CO 0.06 0.15 0.35 1.23 -1.22 0.00 0.00 177.39 177.96 3hj3 h GLY 430 N -0.38 0.43 0.76 -0.72 0.00 -1.57 -3.32 103.07 98.27 3hj3 h GLY 430 Ca -0.25 -0.61 0.03 0.00 0.00 0.00 0.00 47.33 46.49 3hj3 h GLY 430 CO -0.15 0.55 0.01 0.23 0.00 0.00 0.00 176.54 177.18 3hj3 h SER 431 N 0.26 -0.04 0.04 0.19 0.87 -0.95 0.20 113.55 114.12 3hj3 h SER 431 Ca -0.03 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3hj3 h SER 431 Cb 1.31 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.32 3hj3 h SER 431 CO 0.12 0.00 -0.02 -0.65 -0.53 0.00 0.00 176.83 175.75 3hj3 h PRO 432 N 0.07 0.00 -0.16 2.24 0.11 -1.74 -0.94 132.00 131.58 3hj3 h PRO 432 Ca 0.08 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.99 3hj3 h PRO 432 Cb 0.09 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.21 3hj3 h PRO 432 CO -0.12 0.02 -0.68 0.74 -0.21 0.00 0.00 178.00 177.75 3hj3 h PHE 433 N 0.00 0.99 -0.37 0.65 -1.00 -1.12 -2.96 116.94 113.11 3hj3 h PHE 433 Ca -0.00 -0.42 -0.03 0.00 2.81 0.00 0.00 57.97 60.33 3hj3 h PHE 433 Cb 0.05 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 3hj3 h PHE 433 CO 0.00 1.24 0.12 -0.91 -1.61 0.00 0.00 178.31 177.15 3hj3 h ASN 434 N 0.45 0.54 0.21 2.17 -0.26 0.56 0.47 115.58 119.72 3hj3 h ASN 434 Ca -0.04 -0.20 0.01 0.00 -0.56 0.00 0.00 56.30 55.51 3hj3 h ASN 434 Cb 1.31 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 38.39 3hj3 h ASN 434 CO 0.14 0.60 -0.32 0.40 -1.06 0.00 0.00 177.43 177.19 3hj3 h ILE 435 N 0.46 0.33 -0.38 2.81 2.04 -1.33 -1.25 117.51 120.18 3hj3 h ILE 435 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 3hj3 h ILE 435 Cb 0.25 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3hj3 h ILE 435 CO -0.00 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.39 3hj3 h ALA 436 N -0.00 0.49 -0.06 1.87 0.00 -1.43 -1.84 119.26 118.28 3hj3 h ALA 436 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hj3 h ALA 436 Cb 0.59 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3hj3 h ALA 436 CO -0.13 -0.04 -0.24 1.03 0.00 0.00 0.00 179.25 179.86 3hj3 h SER 437 N 0.52 -0.73 1.47 0.00 0.87 0.20 -1.62 113.55 114.25 3hj3 h SER 437 Ca 0.14 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.73 3hj3 h SER 437 Cb -0.04 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 3hj3 h SER 437 CO -0.03 -0.30 -0.55 1.88 -0.53 0.00 0.00 176.83 177.30 3hj3 h TYR 438 N -0.35 0.00 -0.33 2.24 0.05 -1.21 -1.44 116.97 115.93 3hj3 h TYR 438 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3hj3 h TYR 438 Cb 0.46 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 3hj3 h TYR 438 CO -0.31 0.34 0.22 0.00 -1.05 0.00 0.00 178.16 177.36 3hj3 h ALA 439 N 1.66 0.42 -0.35 3.88 0.00 -1.18 -1.21 119.26 122.48 3hj3 h ALA 439 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3hj3 h ALA 439 Cb 1.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3hj3 h ALA 439 CO 0.04 -0.12 -0.01 0.82 0.00 0.00 0.00 179.25 179.99 3hj3 h ILE 440 N 0.45 1.26 -0.20 0.00 2.04 -0.80 0.53 117.51 120.78 3hj3 h ILE 440 Ca 0.12 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 64.99 3hj3 h ILE 440 Cb -0.05 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3hj3 h ILE 440 CO -0.03 0.33 0.12 0.25 0.00 0.00 0.00 178.15 178.82 3hj3 h LEU 441 N 0.43 0.20 -0.93 1.44 5.85 -1.29 0.13 115.31 121.14 3hj3 h LEU 441 Ca 0.10 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3hj3 h LEU 441 Cb 0.47 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 3hj3 h LEU 441 CO 0.02 0.15 0.60 0.74 -0.34 0.00 0.00 178.44 179.61 3hj3 h THR 442 N 0.25 1.12 -0.36 1.05 2.02 -1.02 0.59 112.91 116.57 3hj3 h THR 442 Ca 0.08 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 3hj3 h THR 442 Cb -0.01 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 3hj3 h THR 442 CO -0.03 0.21 0.13 0.24 0.37 0.00 0.00 175.52 176.44 3hj3 h MET 443 N 1.13 0.55 0.18 6.66 2.86 -0.25 0.77 114.93 126.82 3hj3 h MET 443 Ca 0.38 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.93 3hj3 h MET 443 Cb 0.07 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3hj3 h MET 443 CO -0.14 0.54 -0.26 0.52 1.06 0.00 0.00 176.91 178.63 3hj3 h MET 444 N 0.43 -0.48 -0.87 1.72 2.07 -0.06 -0.55 114.93 117.20 3hj3 h MET 444 Ca 0.12 0.03 0.16 0.00 -2.07 0.00 0.00 59.70 57.94 3hj3 h MET 444 Cb 0.21 0.11 -0.10 0.00 -1.87 0.00 0.00 31.60 29.95 3hj3 h MET 444 CO -0.01 -0.32 0.45 -0.07 1.07 0.00 0.00 176.91 178.03 3hj3 h LEU 445 N -0.50 0.54 -0.19 1.22 3.38 0.36 -1.80 115.31 118.31 3hj3 h LEU 445 Ca 0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hj3 h LEU 445 Cb 0.50 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3hj3 h LEU 445 CO -0.11 0.21 0.12 0.00 0.09 0.00 0.00 178.44 178.75 3hj3 h ALA 446 N 1.58 0.25 0.23 1.53 0.00 -0.13 -0.47 119.26 122.25 3hj3 h ALA 446 Ca 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3hj3 h ALA 446 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hj3 h ALA 446 CO -0.38 -0.26 -0.20 0.37 0.00 0.00 0.00 179.25 178.78 3hj3 h GLN 447 N 0.24 -0.44 -0.03 0.00 4.15 -0.43 0.58 115.11 119.19 3hj3 h GLN 447 Ca 0.07 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 3hj3 h GLN 447 Cb 0.00 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 3hj3 h GLN 447 CO -0.01 -0.29 -0.07 0.28 -1.93 0.00 0.00 178.83 176.80 3hj3 h VAL 448 N -0.46 1.07 -0.04 2.39 2.07 -1.20 -2.52 116.25 117.57 3hj3 h VAL 448 Ca -0.01 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3hj3 h VAL 448 Cb 0.42 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3hj3 h VAL 448 CO -0.03 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.66 3hj3 n GLY 450 N 1.35 0.86 3.60 0.00 0.00 -0.53 -4.81 105.19 105.66 3hj3 n GLY 450 Ca 0.14 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 3hj3 n GLY 450 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hj3 s TYR 451 N -2.00 1.77 0.21 1.61 4.12 0.19 -5.02 117.35 118.24 3hj3 s TYR 451 Ca 0.00 -1.26 0.06 0.00 0.02 0.00 0.00 57.07 55.90 3hj3 s TYR 451 Cb 0.00 -1.26 -0.04 0.00 -1.52 0.00 0.00 41.96 39.14 3hj3 s TYR 451 CO 0.00 -0.21 0.16 -1.21 0.02 0.00 0.00 175.55 174.32 3hj3 s GLU 452 N -3.72 2.90 0.21 -0.62 0.41 -0.46 -4.05 118.70 113.37 3hj3 s GLU 452 Ca 0.16 -0.98 -0.30 0.00 -0.41 0.00 0.00 54.97 53.44 3hj3 s GLU 452 Cb 0.01 -2.59 -0.09 0.00 -1.78 0.00 0.00 34.13 29.68 3hj3 s GLU 452 CO 0.11 0.44 1.38 -2.14 -0.49 0.00 0.00 175.26 174.55 3hj3 s PRO 453 N -3.50 4.33 0.00 0.39 0.02 -1.26 0.62 135.00 135.60 3hj3 s PRO 453 Ca 0.32 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3hj3 s PRO 453 Cb -0.09 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3hj3 s PRO 453 CO 0.24 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.97 3hj3 n GLY 454 N 2.47 0.59 3.30 0.52 0.00 0.19 -3.73 105.19 108.53 3hj3 n GLY 454 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3hj3 n GLY 454 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hj3 s GLU 455 N 1.82 1.19 -0.22 1.61 2.02 -1.25 -1.45 118.70 122.41 3hj3 s GLU 455 Ca 0.00 -1.28 -0.01 0.00 0.02 0.00 0.00 54.97 53.71 3hj3 s GLU 455 Cb 0.00 -1.33 0.02 0.00 0.10 0.00 0.00 34.13 32.92 3hj3 s GLU 455 CO 0.00 0.29 -0.11 -1.17 0.02 0.00 0.00 175.26 174.29 3hj3 s LEU 456 N -2.28 2.78 -0.07 1.80 2.96 -0.60 -0.13 118.68 123.14 3hj3 s LEU 456 Ca 0.11 -0.76 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 3hj3 s LEU 456 Cb -0.08 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3hj3 s LEU 456 CO 0.05 -0.07 -0.07 0.00 -1.32 0.00 0.00 176.35 174.94 3hj3 s ALA 457 N 1.32 2.98 -0.16 5.97 0.00 -0.35 -0.87 121.76 130.65 3hj3 s ALA 457 Ca 0.02 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 3hj3 s ALA 457 Cb -0.15 -1.22 0.04 0.00 0.00 0.00 0.00 23.12 21.78 3hj3 s ALA 457 CO -0.07 0.57 -0.07 0.42 0.00 0.00 0.00 175.76 176.61 3hj3 s ILE 458 N -0.81 1.21 -0.26 0.00 1.01 0.77 -1.50 121.20 121.62 3hj3 s ILE 458 Ca 0.12 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 3hj3 s ILE 458 Cb -0.11 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3hj3 s ILE 458 CO 0.01 0.18 0.14 -0.36 0.00 0.00 0.00 174.94 174.92 3hj3 s PHE 459 N 1.59 3.20 -0.16 3.97 0.40 -0.17 -1.22 117.98 125.59 3hj3 s PHE 459 Ca 0.01 -0.02 -0.05 0.00 -0.60 0.00 0.00 56.93 56.27 3hj3 s PHE 459 Cb -0.15 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 41.05 3hj3 s PHE 459 CO -0.08 -0.15 0.01 0.42 0.70 0.00 0.00 175.22 176.11 3hj3 s ILE 460 N 1.50 4.31 0.00 0.64 -1.09 0.34 -0.75 121.20 126.14 3hj3 s ILE 460 Ca 0.07 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 3hj3 s ILE 460 Cb -0.15 -2.91 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 3hj3 s ILE 460 CO 0.07 0.48 0.05 0.61 -1.23 0.00 0.00 174.94 174.92 3hj3 n GLY 461 N 3.48 1.13 3.42 6.18 0.00 0.17 -1.96 105.19 117.61 3hj3 n GLY 461 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 3hj3 n GLY 461 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hj3 s ASP 462 N -1.31 6.29 -0.36 1.61 3.68 0.14 -0.75 116.67 125.97 3hj3 s ASP 462 Ca 0.00 -1.41 -0.19 0.00 2.13 0.00 0.00 52.55 53.08 3hj3 s ASP 462 Cb 0.00 -2.37 0.00 0.00 -1.45 0.00 0.00 42.92 39.10 3hj3 s ASP 462 CO 0.00 -1.23 0.57 0.00 0.13 0.00 0.00 175.17 174.64 3hj3 s ALA 463 N 3.21 3.46 0.02 3.66 0.00 -0.46 -2.14 121.76 129.52 3hj3 s ALA 463 Ca 0.21 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 3hj3 s ALA 463 Cb -0.16 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 3hj3 s ALA 463 CO 0.04 -1.31 0.06 -3.38 0.00 0.00 0.00 175.76 171.18 3hj3 s HIS 464 N 2.54 0.18 -0.15 0.00 -0.00 -1.16 -1.23 115.29 115.47 3hj3 s HIS 464 Ca 0.21 -0.41 -0.02 0.00 -0.00 0.00 0.00 55.06 54.84 3hj3 s HIS 464 Cb -0.15 -0.14 -0.02 0.00 -0.00 0.00 0.00 32.58 32.27 3hj3 s HIS 464 CO 0.14 -0.28 -0.07 0.42 -0.00 0.00 0.00 174.74 174.95 3hj3 s ILE 465 N -1.84 3.53 0.34 -5.38 1.01 -0.39 -1.77 121.20 116.69 3hj3 s ILE 465 Ca -0.12 -0.49 -0.28 0.00 0.00 0.00 0.00 60.65 59.77 3hj3 s ILE 465 Cb -0.06 -2.53 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 3hj3 s ILE 465 CO -0.01 0.50 1.20 -0.31 0.00 0.00 0.00 174.94 176.32 3hj3 s TYR 466 N 0.41 3.21 0.32 3.97 2.02 -1.26 -0.97 117.35 125.05 3hj3 s TYR 466 Ca -0.06 1.54 0.22 0.00 -0.37 0.00 0.00 57.07 58.40 3hj3 s TYR 466 Cb -0.15 -3.47 1.06 0.00 -0.40 0.00 0.00 41.96 39.00 3hj3 s TYR 466 CO 0.04 -1.30 1.92 1.05 -1.57 0.00 0.00 175.55 175.69 3hj3 h GLU 467 N 3.27 0.00 -0.76 -0.62 4.11 -1.67 -1.46 114.58 117.45 3hj3 h GLU 467 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3hj3 h GLU 467 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3hj3 h GLU 467 CO 0.65 0.24 0.00 0.27 0.07 0.00 0.00 179.01 180.23 3hj3 n ASN 468 N -3.69 0.99 -0.00 3.06 2.04 -1.26 -3.25 115.26 113.15 3hj3 n ASN 468 Ca -0.01 -2.03 0.00 0.00 -0.44 0.00 0.00 54.58 52.10 3hj3 n ASN 468 Cb 0.35 -0.40 -0.01 0.00 -2.53 0.00 0.00 39.78 37.20 3hj3 n ASN 468 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 3hj3 n HIS 469 N -0.07 0.00 -0.25 -2.53 8.25 -0.55 -4.77 115.22 115.31 3hj3 n HIS 469 Ca 0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.49 3hj3 n HIS 469 Cb 0.23 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 31.42 3hj3 n HIS 469 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hj3 h LEU 470 N 0.00 -0.62 -0.43 2.41 4.07 -1.61 -0.64 115.31 118.48 3hj3 h LEU 470 Ca 0.00 0.21 -0.18 0.00 0.08 0.00 0.00 57.88 57.99 3hj3 h LEU 470 Cb 0.03 0.43 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 3hj3 h LEU 470 CO 0.00 -0.23 -0.68 0.71 -1.08 0.00 0.00 178.44 177.16 3hj3 h THR 471 N 0.01 1.36 0.13 0.22 1.35 -1.88 0.19 112.91 114.29 3hj3 h THR 471 Ca 0.35 -2.03 -0.01 0.00 -0.55 0.00 0.00 66.41 64.18 3hj3 h THR 471 Cb 0.55 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3hj3 h THR 471 CO -0.72 0.62 -0.06 1.56 -0.25 0.00 0.00 175.52 176.66 3hj3 h GLN 472 N 0.33 -0.17 -0.10 4.72 7.50 -1.61 0.33 115.11 126.10 3hj3 h GLN 472 Ca -0.02 0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.07 3hj3 h GLN 472 Cb 1.24 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.80 3hj3 h GLN 472 CO 0.12 -0.02 -0.27 -0.07 -1.50 0.00 0.00 178.83 177.09 3hj3 h LEU 473 N -0.30 0.18 -0.66 1.46 3.38 -1.08 -1.20 115.31 117.09 3hj3 h LEU 473 Ca -0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3hj3 h LEU 473 Cb 0.24 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3hj3 h LEU 473 CO 0.03 0.45 0.24 0.50 0.09 0.00 0.00 178.44 179.76 3hj3 h LYS 474 N 0.16 1.00 0.60 1.13 1.63 -0.67 0.18 116.57 120.60 3hj3 h LYS 474 Ca 0.03 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 3hj3 h LYS 474 Cb 0.57 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 3hj3 h LYS 474 CO 0.04 0.85 -0.32 1.49 -3.45 0.00 0.00 179.45 178.06 3hj3 h GLU 475 N 0.94 -0.82 -0.56 1.90 4.57 -0.17 -2.77 114.58 117.67 3hj3 h GLU 475 Ca 0.22 0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.56 3hj3 h GLU 475 Cb 0.24 0.19 -0.11 0.00 -0.16 0.00 0.00 28.75 28.91 3hj3 h GLU 475 CO -0.01 -0.55 -0.20 0.37 -1.18 0.00 0.00 179.01 177.44 3hj3 h GLN 476 N -0.85 -0.07 0.00 1.92 4.15 -1.08 0.12 115.11 119.30 3hj3 h GLN 476 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3hj3 h GLN 476 Cb 0.67 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.37 3hj3 h GLN 476 CO 0.11 -0.04 0.20 1.28 -1.93 0.00 0.00 178.83 178.44 3hj3 n LEU 477 N -5.42 0.28 -0.67 -2.39 4.77 0.63 -1.31 117.00 112.89 3hj3 n LEU 477 Ca 0.05 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 3hj3 n LEU 477 Cb 0.32 -0.52 0.36 0.00 -2.33 0.00 0.00 43.42 41.25 3hj3 n LEU 477 CO 0.06 -0.63 0.78 -1.54 -1.33 0.00 0.00 177.39 174.73 3hj3 n SER 478 N -1.87 2.09 -4.59 -1.43 3.41 0.03 -4.22 113.62 107.04 3hj3 n SER 478 Ca -0.01 -1.70 -0.36 0.00 -0.26 0.00 0.00 58.87 56.54 3hj3 n SER 478 Cb 0.21 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 3hj3 n SER 478 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hj3 s ARG 479 N -1.99 3.92 0.07 4.33 0.52 -0.42 -4.91 118.95 120.47 3hj3 s ARG 479 Ca 0.34 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.90 3hj3 s ARG 479 Cb 0.21 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 32.20 3hj3 s ARG 479 CO 0.32 0.01 1.08 0.99 0.02 0.00 0.00 175.30 177.72 3hj3 s THR 480 N 1.14 4.32 0.71 0.02 2.01 -1.26 -4.88 115.64 117.70 3hj3 s THR 480 Ca 0.06 1.76 -0.14 0.00 0.31 0.00 0.00 61.69 63.67 3hj3 s THR 480 Cb -0.14 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.27 3hj3 s THR 480 CO 0.04 0.19 1.14 -2.16 -0.69 0.00 0.00 174.62 173.14 3hj3 s PRO 481 N 0.62 2.43 0.29 4.92 0.04 -1.26 -4.91 135.00 137.12 3hj3 s PRO 481 Ca 0.53 1.48 0.09 0.00 0.04 0.00 0.00 61.00 63.14 3hj3 s PRO 481 Cb -0.26 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3hj3 s PRO 481 CO 0.30 -1.56 0.07 1.03 0.04 0.00 0.00 177.00 176.88 3hj3 s ARG 482 N -4.17 2.39 0.49 4.56 0.52 -1.26 -5.07 118.95 116.41 3hj3 s ARG 482 Ca 0.68 -1.42 -0.24 0.00 -0.52 0.00 0.00 55.73 54.23 3hj3 s ARG 482 Cb -0.23 -2.21 -0.07 0.00 0.52 0.00 0.00 34.95 32.96 3hj3 s ARG 482 CO 0.45 0.28 1.39 -0.35 0.02 0.00 0.00 175.30 177.10 3hj3 n PRO 483 N -1.01 2.01 -1.48 3.54 -0.04 -1.26 -4.77 135.00 131.99 3hj3 n PRO 483 Ca -0.05 0.72 -0.33 0.00 -0.04 0.00 0.00 63.50 63.80 3hj3 n PRO 483 Cb 0.60 -2.60 0.08 0.00 -0.04 0.00 0.00 33.50 31.54 3hj3 n PRO 483 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3hj3 s PHE 484 N -1.23 2.28 0.62 0.54 0.08 -1.26 -4.80 117.98 114.21 3hj3 s PHE 484 Ca 0.65 1.60 -0.09 0.00 0.12 0.00 0.00 56.93 59.21 3hj3 s PHE 484 Cb -0.44 -3.31 0.14 0.00 -0.57 0.00 0.00 43.02 38.84 3hj3 s PHE 484 CO 0.54 -2.20 0.85 -0.35 -0.10 0.00 0.00 175.22 173.96 3hj3 n PRO 485 N -2.79 -0.65 -4.12 0.24 -0.04 -1.25 -4.75 135.00 121.63 3hj3 n PRO 485 Ca 0.12 -1.48 -0.22 0.00 -0.04 0.00 0.00 63.50 61.87 3hj3 n PRO 485 Cb 0.51 -0.82 -0.05 0.00 -0.04 0.00 0.00 33.50 33.11 3hj3 n PRO 485 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3hj3 s GLN 486 N -4.79 2.91 -0.07 0.54 -1.52 0.34 -1.35 119.66 115.72 3hj3 s GLN 486 Ca 0.49 -1.04 -0.03 0.00 -1.95 0.00 0.00 55.36 52.83 3hj3 s GLN 486 Cb -0.02 -2.56 0.04 0.00 -0.22 0.00 0.00 33.01 30.25 3hj3 s GLN 486 CO 0.34 0.41 0.12 -1.17 -0.25 0.00 0.00 175.29 174.74 3hj3 s LEU 487 N -3.75 0.01 0.07 2.90 0.20 -1.26 -1.45 118.68 115.41 3hj3 s LEU 487 Ca 0.33 0.24 0.06 0.00 0.69 0.00 0.00 54.13 55.45 3hj3 s LEU 487 Cb -0.08 0.12 -0.03 0.00 -0.43 0.00 0.00 46.19 45.77 3hj3 s LEU 487 CO 0.25 -0.25 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.36 3hj3 s LYS 488 N 2.24 0.96 -0.06 1.98 -0.14 0.09 -4.98 119.74 119.83 3hj3 s LYS 488 Ca 0.04 -0.97 -0.23 0.00 -1.36 0.00 0.00 55.97 53.45 3hj3 s LYS 488 Cb -0.12 -1.04 -0.04 0.00 -1.68 0.00 0.00 37.83 34.95 3hj3 s LYS 488 CO -0.05 0.24 0.69 -0.06 -0.76 0.00 0.00 175.35 175.41 3hj3 s PHE 489 N -1.13 3.58 0.32 3.18 0.08 -1.26 -1.10 117.98 121.65 3hj3 s PHE 489 Ca 0.02 1.23 0.10 0.00 0.12 0.00 0.00 56.93 58.40 3hj3 s PHE 489 Cb -0.09 -2.79 0.54 0.00 -0.57 0.00 0.00 43.02 40.11 3hj3 s PHE 489 CO 0.03 0.10 1.73 0.87 -0.10 0.00 0.00 175.22 177.85 3hj3 h LYS 490 N 6.70 0.07 -4.23 0.44 1.57 -0.25 -3.47 116.57 117.40 3hj3 h LYS 490 Ca -0.41 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.19 3hj3 h LYS 490 Cb 1.20 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 3hj3 h LYS 490 CO 0.75 0.52 -0.59 -0.98 -0.57 0.00 0.00 179.45 178.58 3hj3 s ARG 491 N -4.01 0.84 -0.66 3.15 1.70 -1.26 -5.10 118.95 113.60 3hj3 s ARG 491 Ca -0.03 -1.28 -0.23 0.00 -0.47 0.00 0.00 55.73 53.72 3hj3 s ARG 491 Cb 0.14 0.26 0.06 0.00 -0.57 0.00 0.00 34.95 34.84 3hj3 s ARG 491 CO 0.75 -0.23 1.01 0.21 -1.08 0.00 0.00 175.30 175.96 3hj3 s LYS 492 N -3.97 3.15 0.70 3.89 2.20 -1.26 -5.03 119.74 119.41 3hj3 s LYS 492 Ca 0.15 -0.68 -0.15 0.00 -0.36 0.00 0.00 55.97 54.93 3hj3 s LYS 492 Cb 0.07 -4.20 0.02 0.00 -1.51 0.00 0.00 37.83 32.21 3hj3 s LYS 492 CO -0.04 -1.83 1.19 0.14 -0.36 0.00 0.00 175.35 174.45 3hj3 s VAL 493 N 4.29 2.52 -0.06 4.02 -7.23 -1.26 -4.97 120.40 117.71 3hj3 s VAL 493 Ca 0.25 0.26 0.14 0.00 -1.81 0.00 0.00 61.98 60.82 3hj3 s VAL 493 Cb -0.15 -2.84 -0.20 0.00 0.56 0.00 0.00 36.38 33.74 3hj3 s VAL 493 CO 0.12 -0.13 0.74 1.05 -0.31 0.00 0.00 175.10 176.56 3hj3 h GLU 494 N -0.10 0.00 -5.00 4.82 4.11 -1.98 -3.47 114.58 112.96 3hj3 h GLU 494 Ca -0.48 0.00 -0.40 0.00 0.07 0.00 0.00 59.36 58.55 3hj3 h GLU 494 Cb 1.29 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.28 3hj3 h GLU 494 CO 0.51 0.45 -0.78 1.21 0.07 0.00 0.00 179.01 180.47 3hj3 s ASN 495 N -6.03 1.33 0.55 3.06 3.84 -1.26 -5.04 114.94 111.39 3hj3 s ASN 495 Ca -0.04 -0.37 0.21 0.00 0.21 0.00 0.00 52.86 52.87 3hj3 s ASN 495 Cb 0.08 -0.09 1.47 0.00 -0.55 0.00 0.00 41.25 42.17 3hj3 s ASN 495 CO 0.82 0.03 2.19 -0.29 -2.79 0.00 0.00 177.10 177.05 3hj3 h ILE 496 N 4.65 0.83 -0.11 -5.21 2.10 -1.96 -0.70 117.51 117.11 3hj3 h ILE 496 Ca -0.35 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.59 3hj3 h ILE 496 Cb 1.18 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 3hj3 h ILE 496 CO 0.45 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 175.68 3hj3 n GLU 497 N -4.29 1.42 0.11 2.19 0.00 -1.26 -3.67 120.64 115.14 3hj3 n GLU 497 Ca -0.03 -0.63 0.13 0.00 0.00 0.00 0.00 57.16 56.63 3hj3 n GLU 497 Cb 0.09 -1.32 0.39 0.00 0.00 0.00 0.00 31.44 30.60 3hj3 n GLU 497 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3hj3 h ASP 498 N 1.23 0.00 -4.02 -1.84 3.45 -1.54 -3.48 116.42 110.22 3hj3 h ASP 498 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 3hj3 h ASP 498 Cb 0.27 0.00 0.16 0.00 -0.56 0.00 0.00 39.33 39.20 3hj3 h ASP 498 CO 0.00 0.00 0.43 0.49 -1.57 0.00 0.00 179.24 178.59 3hj3 n PHE 499 N -2.33 1.68 -3.93 4.55 3.01 -1.24 -5.00 117.46 114.19 3hj3 n PHE 499 Ca 0.05 0.42 -0.10 0.00 1.01 0.00 0.00 57.45 58.83 3hj3 n PHE 499 Cb 0.44 -2.23 -0.11 0.00 -0.01 0.00 0.00 39.48 37.57 3hj3 n PHE 499 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3hj3 s LYS 500 N -3.33 0.37 0.35 -1.08 -0.14 -1.26 -5.04 119.74 109.61 3hj3 s LYS 500 Ca 0.81 -0.49 0.13 0.00 -1.36 0.00 0.00 55.97 55.06 3hj3 s LYS 500 Cb -0.38 0.15 0.97 0.00 -1.68 0.00 0.00 37.83 36.89 3hj3 s LYS 500 CO 0.42 -0.08 1.75 2.35 -0.76 0.00 0.00 175.35 179.04 3hj3 h TRP 501 N 4.55 0.86 -0.25 3.18 -0.00 -1.96 0.24 115.95 122.57 3hj3 h TRP 501 Ca -0.31 0.03 0.07 0.00 -0.00 0.00 0.00 58.89 58.68 3hj3 h TRP 501 Cb 1.20 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 30.10 3hj3 h TRP 501 CO 0.62 0.08 0.22 0.93 -0.00 0.00 0.00 178.44 180.29 3hj3 h GLU 502 N 0.52 0.00 0.00 2.65 3.07 -2.00 -1.80 114.58 117.01 3hj3 h GLU 502 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 3hj3 h GLU 502 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 3hj3 h GLU 502 CO -0.38 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.98 3hj3 n ASP 503 N -4.07 0.30 -4.62 1.42 10.43 0.84 -4.81 116.55 116.03 3hj3 n ASP 503 Ca 0.03 0.54 -0.34 0.00 2.57 0.00 0.00 54.79 57.59 3hj3 n ASP 503 Cb 0.37 -0.62 -0.10 0.00 1.84 0.00 0.00 41.12 42.61 3hj3 n ASP 503 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hj3 s ILE 504 N -3.06 4.67 -0.14 0.53 1.01 -0.68 0.54 121.20 124.06 3hj3 s ILE 504 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.68 3hj3 s ILE 504 Cb 0.14 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 3hj3 s ILE 504 CO 0.49 0.47 -0.14 -0.70 0.00 0.00 0.00 174.94 175.06 3hj3 s GLU 505 N 0.29 3.30 -0.55 2.79 2.12 -0.26 -4.97 118.70 121.42 3hj3 s GLU 505 Ca 0.03 -0.72 -0.06 0.00 0.36 0.00 0.00 54.97 54.58 3hj3 s GLU 505 Cb -0.13 -2.63 0.14 0.00 0.26 0.00 0.00 34.13 31.78 3hj3 s GLU 505 CO 0.01 0.11 0.40 -1.17 -0.54 0.00 0.00 175.26 174.06 3hj3 s LEU 506 N 0.59 5.55 -0.01 2.70 0.20 -1.26 -0.73 118.68 125.73 3hj3 s LEU 506 Ca -0.08 -2.37 -0.18 0.00 0.69 0.00 0.00 54.13 52.18 3hj3 s LEU 506 Cb -0.16 -1.94 -0.05 0.00 -0.43 0.00 0.00 46.19 43.61 3hj3 s LEU 506 CO 0.03 -0.53 0.52 -0.63 -0.29 0.00 0.00 176.35 175.45 3hj3 s ILE 507 N 0.66 4.97 -1.37 6.68 1.09 -0.53 -4.47 121.20 128.23 3hj3 s ILE 507 Ca 0.12 1.08 -0.01 0.00 -1.10 0.00 0.00 60.65 60.74 3hj3 s ILE 507 Cb -0.21 -3.85 0.00 0.00 -1.06 0.00 0.00 42.46 37.34 3hj3 s ILE 507 CO -0.03 0.46 0.08 0.61 -0.10 0.00 0.00 174.94 175.95 3hj3 n GLY 508 N 2.35 -0.30 3.56 6.18 0.00 -1.26 -0.50 105.19 115.22 3hj3 n GLY 508 Ca -0.09 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 3hj3 n GLY 508 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hj3 s TYR 509 N -2.85 2.70 -0.49 1.61 6.04 -1.26 -4.38 117.35 118.72 3hj3 s TYR 509 Ca 0.04 0.25 0.04 0.00 0.04 0.00 0.00 57.07 57.44 3hj3 s TYR 509 Cb -0.02 -4.31 0.13 0.00 -1.04 0.00 0.00 41.96 36.72 3hj3 s TYR 509 CO 0.05 -1.46 0.23 0.71 -1.54 0.00 0.00 175.55 173.54 3hj3 s TYR 510 N 4.47 3.06 0.57 4.97 2.02 -1.26 -5.07 117.35 126.12 3hj3 s TYR 510 Ca 0.38 -3.04 0.03 0.00 -0.37 0.00 0.00 57.07 54.06 3hj3 s TYR 510 Cb -0.10 -2.70 0.06 0.00 -0.40 0.00 0.00 41.96 38.83 3hj3 s TYR 510 CO 0.23 -0.77 0.80 -1.25 -1.57 0.00 0.00 175.55 172.99 3hj3 s PRO 511 N -0.07 2.34 0.69 -1.71 0.04 -1.26 -4.87 135.00 130.17 3hj3 s PRO 511 Ca 0.16 -1.07 -0.06 0.00 0.04 0.00 0.00 61.00 60.07 3hj3 s PRO 511 Cb -0.25 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.83 3hj3 s PRO 511 CO -0.01 -0.84 0.99 0.71 0.04 0.00 0.00 177.00 177.90 3hj3 s TYR 512 N -2.77 2.94 0.69 0.56 1.51 -0.80 -4.86 117.35 114.61 3hj3 s TYR 512 Ca 0.60 0.44 -0.17 0.00 -1.01 0.00 0.00 57.07 56.93 3hj3 s TYR 512 Cb -0.08 -3.14 0.01 0.00 -0.11 0.00 0.00 41.96 38.64 3hj3 s TYR 512 CO 0.39 -1.34 1.26 -1.25 -1.11 0.00 0.00 175.55 173.50 3hj3 s PRO 513 N -5.20 2.35 0.58 -1.71 0.04 -1.26 -1.39 135.00 128.41 3hj3 s PRO 513 Ca 0.59 1.95 -0.20 0.00 0.04 0.00 0.00 61.00 63.39 3hj3 s PRO 513 Cb -0.11 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3hj3 s PRO 513 CO 0.44 -1.72 1.20 0.25 0.04 0.00 0.00 177.00 177.21 3hj3 n THR 514 N -2.26 4.03 -4.05 1.26 -2.24 -1.26 -3.84 114.28 105.92 3hj3 n THR 514 Ca 0.15 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 3hj3 n THR 514 Cb 0.49 -1.42 -0.15 0.00 -2.10 0.00 0.00 70.33 67.15 3hj3 n THR 514 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hj3 s ILE 515 N -1.38 2.32 -0.00 2.28 1.01 -1.26 -4.88 121.20 119.28 3hj3 s ILE 515 Ca 0.76 -1.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 3hj3 s ILE 515 Cb -0.42 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 39.71 3hj3 s ILE 515 CO 0.46 0.07 1.51 -0.54 0.00 0.00 0.00 174.94 176.44 3hj3 s LYS 516 N 1.17 4.24 -0.05 2.79 -0.14 -1.26 -5.01 119.74 121.47 3hj3 s LYS 516 Ca -0.06 2.09 0.01 0.00 -1.36 0.00 0.00 55.97 56.65 3hj3 s LYS 516 Cb -0.19 -3.68 0.02 0.00 -1.68 0.00 0.00 37.83 32.31 3hj3 s LYS 516 CO -0.06 -0.68 -0.05 -1.64 -0.76 0.00 0.00 175.35 172.16 3hj3 s MET 517 N 2.86 0.90 0.18 1.68 -1.94 -1.26 -4.95 119.30 116.77 3hj3 s MET 517 Ca 0.68 -0.13 -0.30 0.00 -1.71 0.00 0.00 55.69 54.23 3hj3 s MET 517 Cb -0.33 -0.89 -0.08 0.00 2.01 0.00 0.00 34.83 35.54 3hj3 s MET 517 CO 0.28 -0.08 1.16 -0.51 -0.01 0.00 0.00 175.02 175.86 3hj3 s ASP 518 N 0.91 7.15 0.38 3.03 1.01 -1.26 -5.04 116.67 122.84 3hj3 s ASP 518 Ca -0.11 2.17 -0.25 0.00 0.71 0.00 0.00 52.55 55.07 3hj3 s ASP 518 Cb -0.14 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.09 3hj3 s ASP 518 CO 0.00 -0.32 1.07 -0.32 0.21 0.00 0.00 175.17 175.81 3hj3 s MET 519 N -0.24 4.24 -0.85 8.23 1.75 -1.26 -5.01 119.30 126.16 3hj3 s MET 519 Ca 0.52 1.60 -0.16 0.00 -1.25 0.00 0.00 55.69 56.40 3hj3 s MET 519 Cb -0.31 -2.68 0.18 0.00 2.84 0.00 0.00 34.83 34.86 3hj3 s MET 519 CO 0.36 -0.09 0.88 0.00 -0.65 0.00 0.00 175.02 175.52 3hj3 s ALA 520 N -1.54 3.81 -2.00 4.11 0.00 -1.26 -5.16 121.76 119.72 3hj3 s ALA 520 Ca 0.55 -3.08 0.05 0.00 0.00 0.00 0.00 51.96 49.48 3hj3 s ALA 520 Cb -0.25 -3.69 0.31 0.00 0.00 0.00 0.00 23.12 19.49 3hj3 s ALA 520 CO 0.31 -2.52 0.78 0.28 0.00 0.00 0.00 175.76 174.62