#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 0.06 0.17 5.31 2.47 -1.26 -5.11 119.74 121.38 3hj3 s LYS 4 Ca 0.00 0.61 -0.30 0.00 -1.56 0.00 0.00 55.97 54.72 3hj3 s LYS 4 Cb 0.00 -0.21 -0.08 0.00 -1.46 0.00 0.00 37.83 36.08 3hj3 s LYS 4 CO 0.00 -0.30 1.20 0.54 0.16 0.00 0.00 175.35 176.95 3hj3 s ASN 5 N 2.32 7.09 -0.18 1.43 6.03 -1.26 -4.97 114.94 125.40 3hj3 s ASN 5 Ca 0.03 2.21 -0.04 0.00 -1.03 0.00 0.00 52.86 54.02 3hj3 s ASN 5 Cb -0.12 -2.60 0.08 0.00 -3.03 0.00 0.00 41.25 35.57 3hj3 s ASN 5 CO -0.06 -0.38 0.17 -0.69 -2.03 0.00 0.00 177.10 174.11 3hj3 s VAL 6 N 0.05 -0.24 -0.15 3.54 1.01 -1.26 -1.55 120.40 121.81 3hj3 s VAL 6 Ca 0.53 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.44 3hj3 s VAL 6 Cb -0.32 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.47 3hj3 s VAL 6 CO 0.36 -0.19 -0.15 -0.94 0.00 0.00 0.00 175.10 174.17 3hj3 s SER 7 N 2.26 2.72 0.17 3.32 1.04 -0.92 -0.22 113.70 122.07 3hj3 s SER 7 Ca 0.05 -0.50 -0.31 0.00 0.48 0.00 0.00 55.95 55.67 3hj3 s SER 7 Cb -0.15 -1.21 -0.09 0.00 0.10 0.00 0.00 66.02 64.67 3hj3 s SER 7 CO -0.10 -0.04 1.42 -0.63 0.98 0.00 0.00 173.24 174.87 3hj3 s ILE 8 N 1.40 3.02 -0.15 -1.02 1.01 -0.68 -2.37 121.20 122.41 3hj3 s ILE 8 Ca 0.03 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.46 3hj3 s ILE 8 Cb -0.13 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 3hj3 s ILE 8 CO -0.10 0.08 -0.14 -0.69 0.00 0.00 0.00 174.94 174.09 3hj3 s VAL 9 N 0.68 2.78 0.25 2.92 1.01 -1.18 -0.06 120.40 126.81 3hj3 s VAL 9 Ca 0.63 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 3hj3 s VAL 9 Cb -0.39 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 3hj3 s VAL 9 CO 0.35 0.51 0.48 0.54 0.00 0.00 0.00 175.10 176.98 3hj3 s VAL 10 N 0.70 0.00 -0.17 2.92 0.11 -0.56 -4.68 120.40 118.73 3hj3 s VAL 10 Ca -0.07 -1.41 -0.05 0.00 -2.93 0.00 0.00 61.98 57.52 3hj3 s VAL 10 Cb -0.16 -2.21 0.08 0.00 -1.53 0.00 0.00 36.38 32.56 3hj3 s VAL 10 CO 0.02 0.00 0.30 0.00 -3.33 0.00 0.00 175.10 172.09 3hj3 s ALA 11 N -4.00 -0.69 0.12 1.54 0.00 -1.26 -0.73 121.76 116.74 3hj3 s ALA 11 Ca 0.23 0.94 0.01 0.00 0.00 0.00 0.00 51.96 53.14 3hj3 s ALA 11 Cb -0.01 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3hj3 s ALA 11 CO 0.09 -0.81 -0.03 0.00 0.00 0.00 0.00 175.76 175.01 3hj3 s ALA 12 N 2.46 1.05 0.44 0.00 0.00 -0.24 -4.52 121.76 120.95 3hj3 s ALA 12 Ca 0.03 -1.43 -0.24 0.00 0.00 0.00 0.00 51.96 50.32 3hj3 s ALA 12 Cb -0.13 0.35 -0.08 0.00 0.00 0.00 0.00 23.12 23.27 3hj3 s ALA 12 CO -0.11 -0.29 1.21 -1.54 0.00 0.00 0.00 175.76 175.03 3hj3 s SER 13 N -3.08 6.19 0.19 0.00 1.04 -0.58 -1.17 113.70 116.29 3hj3 s SER 13 Ca 0.16 2.42 -0.11 0.00 0.48 0.00 0.00 55.95 58.90 3hj3 s SER 13 Cb 0.06 -2.61 0.19 0.00 0.10 0.00 0.00 66.02 63.75 3hj3 s SER 13 CO -0.02 -0.91 1.78 1.62 0.98 0.00 0.00 173.24 176.69 3hj3 h VAL 14 N 2.04 0.92 0.12 5.02 3.04 -1.14 0.24 116.25 126.49 3hj3 h VAL 14 Ca -0.49 -0.18 -0.27 0.00 -1.01 0.00 0.00 66.70 64.75 3hj3 h VAL 14 Cb 1.25 0.36 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 3hj3 h VAL 14 CO 0.61 0.09 -1.36 -0.07 -1.01 0.00 0.00 177.57 175.83 3hj3 h LEU 15 N 0.52 0.40 -2.83 3.16 3.38 -1.92 -3.42 115.31 114.60 3hj3 h LEU 15 Ca 0.26 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3hj3 h LEU 15 Cb 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hj3 h LEU 15 CO -0.19 1.60 0.00 -1.54 0.09 0.00 0.00 178.44 178.40 3hj3 n SER 16 N -3.93 2.01 -3.51 -0.43 3.41 -1.22 -5.02 113.62 104.91 3hj3 n SER 16 Ca -0.24 -1.92 -0.19 0.00 -0.26 0.00 0.00 58.87 56.26 3hj3 n SER 16 Cb 0.90 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.37 -2.04 -4.72 4.04 7.64 0.07 -4.75 113.62 113.49 3hj3 n SER 17 Ca 0.01 -0.70 -0.40 0.00 1.01 0.00 0.00 58.87 58.79 3hj3 n SER 17 Cb 0.25 -4.76 -0.05 0.00 -1.01 0.00 0.00 64.21 58.65 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 -4.30 2.70 0.00 0.23 0.00 -1.26 -0.56 107.32 104.13 3hj3 s GLY 18 Ca 0.03 0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.97 3hj3 s GLY 18 CO 0.76 1.22 0.01 0.29 0.00 0.00 0.00 173.10 175.38 3hj3 n ILE 19 N 3.55 0.00 -3.61 0.90 -5.35 0.19 -1.53 119.36 113.51 3hj3 n ILE 19 Ca -0.01 -0.47 -0.15 0.00 -0.27 0.00 0.00 62.75 61.85 3hj3 n ILE 19 Cb 0.51 1.00 -0.07 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.92 -0.41 -0.22 3.28 0.00 -1.01 -4.30 107.32 103.74 3hj3 s GLY 20 Ca 0.00 0.82 -0.12 0.00 0.00 0.00 0.00 44.72 45.42 3hj3 s GLY 20 CO 0.00 0.52 0.53 -1.50 0.00 0.00 0.00 173.10 172.65 3hj3 s ILE 21 N -1.60 -0.01 -1.39 0.90 1.10 0.09 -0.46 121.20 119.83 3hj3 s ILE 21 Ca -0.10 0.05 -0.11 0.00 -0.51 0.00 0.00 60.65 59.98 3hj3 s ILE 21 Cb -0.02 -0.77 0.01 0.00 0.15 0.00 0.00 42.46 41.83 3hj3 s ILE 21 CO 0.05 0.02 0.34 0.59 -2.11 0.00 0.00 174.94 173.83 3hj3 n ASN 22 N 4.21 -1.22 0.00 4.50 3.02 -1.26 0.13 115.26 124.64 3hj3 n ASN 22 Ca -0.22 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 3hj3 n ASN 22 Cb 0.57 -2.10 0.00 0.00 -0.61 0.00 0.00 39.78 37.64 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 -2.24 0.17 3.35 7.41 0.00 -1.26 -4.96 105.19 107.66 3hj3 n GLY 23 Ca -0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.32 1.35 0.43 1.61 -0.21 0.12 -4.75 119.66 116.90 3hj3 s GLN 24 Ca 0.00 -1.62 -0.25 0.00 0.02 0.00 0.00 55.36 53.51 3hj3 s GLN 24 Cb 0.00 -1.06 -0.09 0.00 1.00 0.00 0.00 33.01 32.86 3hj3 s GLN 24 CO 0.00 0.13 1.22 1.28 -2.12 0.00 0.00 175.29 175.80 3hj3 n LEU 25 N -0.41 3.84 -0.79 2.90 4.77 -1.26 -0.73 117.00 125.31 3hj3 n LEU 25 Ca -0.07 1.08 0.04 0.00 -0.03 0.00 0.00 56.01 57.02 3hj3 n LEU 25 Cb 0.61 -1.47 0.14 0.00 -2.33 0.00 0.00 43.42 40.37 3hj3 n LEU 25 CO 0.36 -0.83 0.54 -0.81 -1.33 0.00 0.00 177.39 175.32 3hj3 n PRO 26 N -0.03 2.09 -3.85 3.23 -0.04 -1.26 -4.74 135.00 130.41 3hj3 n PRO 26 Ca 0.08 -1.11 -0.04 0.00 -0.04 0.00 0.00 63.50 62.38 3hj3 n PRO 26 Cb 0.40 -1.52 0.01 0.00 -0.04 0.00 0.00 33.50 32.35 3hj3 n PRO 26 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3hj3 s TRP 27 N -1.65 0.04 -0.18 0.54 -2.14 -1.26 -5.08 118.94 109.22 3hj3 s TRP 27 Ca 0.20 -0.46 -0.05 0.00 2.66 0.00 0.00 56.10 58.44 3hj3 s TRP 27 Cb 0.13 0.71 0.09 0.00 -3.10 0.00 0.00 33.47 31.29 3hj3 s TRP 27 CO 0.09 -0.99 0.35 -1.54 -2.66 0.00 0.00 176.95 172.19 3hj3 s SER 28 N -3.28 0.10 -0.23 -2.66 1.04 -1.26 -5.10 113.70 102.31 3hj3 s SER 28 Ca 0.19 0.71 -0.02 0.00 0.48 0.00 0.00 55.95 57.31 3hj3 s SER 28 Cb -0.03 1.03 0.07 0.00 0.10 0.00 0.00 66.02 67.20 3hj3 s SER 28 CO 0.06 -0.25 0.04 -0.63 0.98 0.00 0.00 173.24 173.44 3hj3 s ILE 29 N 2.52 0.70 0.20 -1.02 1.01 -1.26 -5.02 121.20 118.33 3hj3 s ILE 29 Ca 0.01 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 3hj3 s ILE 29 Cb -0.13 -1.26 0.13 0.00 0.01 0.00 0.00 42.46 41.22 3hj3 s ILE 29 CO -0.11 -0.32 1.81 0.77 0.00 0.00 0.00 174.94 177.09 3hj3 h SER 30 N 8.18 0.90 -0.95 3.58 4.64 -2.00 -2.18 113.55 125.72 3hj3 h SER 30 Ca -0.16 -0.10 0.15 0.00 -0.47 0.00 0.00 61.79 61.21 3hj3 h SER 30 Cb 1.09 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 62.87 3hj3 h SER 30 CO 0.38 0.74 0.60 -0.33 -0.87 0.00 0.00 176.83 177.35 3hj3 h GLU 31 N 0.98 0.76 -0.53 4.77 3.07 -1.99 0.42 114.58 122.06 3hj3 h GLU 31 Ca 0.25 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 59.11 3hj3 h GLU 31 Cb 0.05 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 27.74 3hj3 h GLU 31 CO -0.04 0.50 0.28 0.22 -1.40 0.00 0.00 179.01 178.57 3hj3 h ASP 32 N 0.78 0.41 -0.28 1.42 3.58 -1.83 -1.98 116.42 118.52 3hj3 h ASP 32 Ca 0.49 0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.86 3hj3 h ASP 32 Cb 0.72 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 3hj3 h ASP 32 CO -0.25 0.28 -0.23 -0.07 -2.88 0.00 0.00 179.24 176.09 3hj3 h LEU 33 N 0.54 0.69 -0.79 2.28 3.38 -0.19 0.14 115.31 121.35 3hj3 h LEU 33 Ca 0.23 -0.45 0.19 0.00 0.09 0.00 0.00 57.88 57.94 3hj3 h LEU 33 Cb 0.12 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 40.55 3hj3 h LEU 33 CO -0.15 0.99 0.11 0.11 0.09 0.00 0.00 178.44 179.59 3hj3 h LYS 34 N 0.39 0.16 0.53 1.13 1.57 -0.79 0.32 116.57 119.89 3hj3 h LYS 34 Ca 0.05 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3hj3 h LYS 34 Cb 0.78 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.06 3hj3 h LYS 34 CO 0.06 0.11 -0.26 0.35 -0.57 0.00 0.00 179.45 179.14 3hj3 h PHE 35 N 0.16 -0.66 -0.98 -1.35 3.57 -1.09 0.16 116.94 116.75 3hj3 h PHE 35 Ca 0.46 -0.02 0.33 0.00 3.53 0.00 0.00 57.97 62.27 3hj3 h PHE 35 Cb 0.85 0.22 -0.17 0.00 2.79 0.00 0.00 35.95 39.64 3hj3 h PHE 35 CO -0.35 -0.41 0.32 0.35 -2.23 0.00 0.00 178.31 175.99 3hj3 h PHE 36 N -0.83 0.46 0.35 0.41 3.04 -0.22 -1.07 116.94 119.09 3hj3 h PHE 36 Ca -0.07 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 3hj3 h PHE 36 Cb 0.55 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.02 3hj3 h PHE 36 CO 0.07 -0.38 -0.17 1.03 -2.02 0.00 0.00 178.31 176.84 3hj3 h SER 37 N 0.08 -0.40 -0.93 0.41 0.87 -0.21 -2.78 113.55 110.60 3hj3 h SER 37 Ca 0.70 0.01 0.27 0.00 -1.23 0.00 0.00 61.79 61.55 3hj3 h SER 37 Cb 1.64 0.10 -0.15 0.00 -0.44 0.00 0.00 62.40 63.55 3hj3 h SER 37 CO -0.78 -0.24 0.27 0.11 -0.53 0.00 0.00 176.83 175.66 3hj3 h LYS 38 N -0.56 0.16 0.00 2.24 1.79 0.52 0.28 116.57 121.01 3hj3 h LYS 38 Ca -0.05 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3hj3 h LYS 38 Cb 0.36 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3hj3 h LYS 38 CO 0.08 0.11 -0.33 0.44 -1.08 0.00 0.00 179.45 178.66 3hj3 n ILE 39 N -5.25 0.38 -0.01 1.86 -5.35 -0.62 -1.81 119.36 108.56 3hj3 n ILE 39 Ca 0.25 -0.23 -0.00 0.00 -0.27 0.00 0.00 62.75 62.50 3hj3 n ILE 39 Cb 0.80 -0.29 -0.12 0.00 -1.74 0.00 0.00 39.64 38.29 3hj3 n ILE 39 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3hj3 n THR 40 N -2.06 1.00 1.44 7.28 -2.24 -0.41 -3.86 114.28 115.42 3hj3 n THR 40 Ca 0.05 -0.69 0.14 0.00 -2.27 0.00 0.00 64.05 61.28 3hj3 n THR 40 Cb 0.42 -0.52 0.75 0.00 -2.10 0.00 0.00 70.33 68.87 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 -2.73 0.00 -4.64 3.42 5.03 0.86 -4.64 115.26 112.56 3hj3 n ASN 41 Ca -0.14 -0.26 -0.43 0.00 0.87 0.00 0.00 54.58 54.62 3hj3 n ASN 41 Cb 0.86 -0.24 -0.02 0.00 -1.02 0.00 0.00 39.78 39.36 3hj3 n ASN 41 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3hj3 s ASN 42 N -2.47 6.91 0.02 6.41 2.47 -0.75 -5.00 114.94 122.54 3hj3 s ASN 42 Ca 0.30 1.08 -0.07 0.00 0.42 0.00 0.00 52.86 54.59 3hj3 s ASN 42 Cb 0.19 -2.54 -0.00 0.00 -1.45 0.00 0.00 41.25 37.45 3hj3 s ASN 42 CO 0.42 -0.89 0.14 -1.59 -3.72 0.00 0.00 177.10 171.46 3hj3 s LYS 43 N 3.68 0.56 -0.11 0.43 -2.85 -1.26 -4.97 119.74 115.22 3hj3 s LYS 43 Ca 0.46 -0.54 -0.05 0.00 -1.00 0.00 0.00 55.97 54.84 3hj3 s LYS 43 Cb -0.13 0.23 -0.02 0.00 -2.06 0.00 0.00 37.83 35.85 3hj3 s LYS 43 CO 0.16 -0.14 -0.09 0.00 0.10 0.00 0.00 175.35 175.37 3hj3 s ASP 45 N -5.35 6.27 0.50 0.00 -1.08 -1.26 -4.91 116.67 110.84 3hj3 s ASP 45 Ca -0.08 -0.25 0.26 0.00 -0.52 0.00 0.00 52.55 51.97 3hj3 s ASP 45 Cb 0.01 -2.55 1.35 0.00 -1.46 0.00 0.00 42.92 40.27 3hj3 s ASP 45 CO 0.11 -1.69 1.90 0.77 0.52 0.00 0.00 175.17 176.78 3hj3 h SER 46 N 9.83 0.12 -0.01 -0.34 4.64 -2.00 0.12 113.55 125.91 3hj3 h SER 46 Ca -0.27 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3hj3 h SER 46 Cb 1.05 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3hj3 h SER 46 CO 1.24 0.05 0.00 0.59 -0.87 0.00 0.00 176.83 177.84 3hj3 n ASN 47 N -4.36 0.15 -4.79 4.97 5.03 -1.26 -4.84 115.26 110.17 3hj3 n ASN 47 Ca 0.17 -1.25 -0.26 0.00 0.87 0.00 0.00 54.58 54.10 3hj3 n ASN 47 Cb 0.82 -0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 39.52 3hj3 n ASN 47 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3hj3 s LYS 48 N -1.99 2.23 -0.12 3.52 1.02 0.40 -4.76 119.74 120.05 3hj3 s LYS 48 Ca 0.37 -1.98 -0.16 0.00 0.02 0.00 0.00 55.97 54.22 3hj3 s LYS 48 Cb 0.17 -1.94 0.04 0.00 -0.52 0.00 0.00 37.83 35.59 3hj3 s LYS 48 CO 0.29 -0.29 0.42 0.15 -0.92 0.00 0.00 175.35 175.00 3hj3 s LYS 49 N -4.00 0.58 0.21 1.68 1.02 1.34 -4.94 119.74 115.63 3hj3 s LYS 49 Ca 0.33 0.37 -0.23 0.00 0.02 0.00 0.00 55.97 56.47 3hj3 s LYS 49 Cb 0.02 0.28 -0.08 0.00 -0.52 0.00 0.00 37.83 37.52 3hj3 s LYS 49 CO 0.19 -0.11 0.77 -0.80 -0.92 0.00 0.00 175.35 174.48 3hj3 s ASN 50 N -0.26 7.23 -0.11 2.83 0.01 -1.26 -3.70 114.94 119.67 3hj3 s ASN 50 Ca -0.04 1.56 -0.02 0.00 -0.71 0.00 0.00 52.86 53.65 3hj3 s ASN 50 Cb -0.03 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 3hj3 s ASN 50 CO 0.02 0.09 -0.03 0.00 -1.51 0.00 0.00 177.10 175.67 3hj3 s ALA 51 N -1.38 3.09 -0.24 0.60 0.00 -1.04 -1.52 121.76 121.27 3hj3 s ALA 51 Ca 0.41 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3hj3 s ALA 51 Cb -0.19 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 21.54 3hj3 s ALA 51 CO 0.23 0.43 -0.11 -0.51 0.00 0.00 0.00 175.76 175.81 3hj3 s LEU 52 N -0.36 3.00 -0.26 0.00 1.43 0.24 -0.47 118.68 122.26 3hj3 s LEU 52 Ca 0.06 -1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 51.77 3hj3 s LEU 52 Cb -0.12 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 3hj3 s LEU 52 CO 0.02 -0.18 0.47 -0.63 0.23 0.00 0.00 176.35 176.26 3hj3 s ILE 53 N 1.22 5.11 0.05 -0.59 1.01 0.14 -0.59 121.20 127.54 3hj3 s ILE 53 Ca -0.06 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.40 3hj3 s ILE 53 Cb -0.19 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 3hj3 s ILE 53 CO -0.06 0.12 -0.08 0.00 0.00 0.00 0.00 174.94 174.91 3hj3 s MET 54 N 2.17 0.57 1.15 2.79 0.23 -0.58 0.16 119.30 125.80 3hj3 s MET 54 Ca 0.19 -0.80 -0.16 0.00 -1.03 0.00 0.00 55.69 53.89 3hj3 s MET 54 Cb -0.16 -0.33 0.20 0.00 -1.53 0.00 0.00 34.83 33.01 3hj3 s MET 54 CO 0.09 0.06 0.52 0.41 -2.03 0.00 0.00 175.02 174.07 3hj3 n GLY 55 N 1.37 -2.27 0.16 3.16 0.00 -0.87 -2.27 105.19 104.47 3hj3 n GLY 55 Ca -0.22 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.64 3hj3 n GLY 55 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hj3 h ARG 56 N -2.39 0.49 -0.93 1.61 2.43 -1.90 -2.42 114.38 111.26 3hj3 h ARG 56 Ca -0.58 -0.44 0.13 0.00 -0.81 0.00 0.00 59.98 58.28 3hj3 h ARG 56 Cb 1.35 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 30.91 3hj3 h ARG 56 CO 0.44 1.08 0.55 0.87 -1.51 0.00 0.00 179.97 181.39 3hj3 h LYS 57 N 0.05 0.81 -0.52 0.20 1.57 -1.92 0.14 116.57 116.91 3hj3 h LYS 57 Ca -0.05 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 3hj3 h LYS 57 Cb 1.22 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3hj3 h LYS 57 CO 0.11 0.53 -0.02 1.15 -0.57 0.00 0.00 179.45 180.65 3hj3 h THR 58 N 0.83 1.25 -0.22 -0.16 2.02 -1.87 0.77 112.91 115.54 3hj3 h THR 58 Ca 0.48 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3hj3 h THR 58 Cb 0.57 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3hj3 h THR 58 CO -0.30 0.39 0.09 -0.25 0.37 0.00 0.00 175.52 175.81 3hj3 h TRP 59 N 0.82 0.33 -0.18 3.16 -0.00 -0.66 -1.62 115.95 117.79 3hj3 h TRP 59 Ca 0.15 -0.02 0.05 0.00 -0.00 0.00 0.00 58.89 59.07 3hj3 h TRP 59 Cb 0.52 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.57 3hj3 h TRP 59 CO 0.03 0.36 0.18 -0.44 -0.00 0.00 0.00 178.44 178.57 3hj3 h ASP 60 N 0.20 0.00 0.42 2.65 3.32 -0.11 -2.70 116.42 120.19 3hj3 h ASP 60 Ca 0.07 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3hj3 h ASP 60 Cb 0.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3hj3 h ASP 60 CO -0.01 0.00 -0.41 0.28 -1.72 0.00 0.00 179.24 177.38 3hj3 h SER 61 N 0.00 0.00 -0.50 6.45 0.02 0.16 -2.89 113.55 116.79 3hj3 h SER 61 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3hj3 h SER 61 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3hj3 h SER 61 CO -0.00 0.41 0.00 -0.38 -1.14 0.00 0.00 176.83 175.72 3hj3 n ILE 62 N -4.04 0.66 -2.77 3.27 5.41 -1.04 -4.93 119.36 115.92 3hj3 n ILE 62 Ca -0.02 -0.77 -0.13 0.00 1.00 0.00 0.00 62.75 62.83 3hj3 n ILE 62 Cb 0.44 0.64 0.03 0.00 -0.71 0.00 0.00 39.64 40.04 3hj3 n ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hj3 n GLY 63 N 1.49 0.00 4.16 7.39 0.00 -1.09 -3.04 105.19 114.10 3hj3 n GLY 63 Ca 0.20 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.72 -3.59 -3.35 1.61 1.74 -1.10 -4.93 116.66 104.31 3hj3 n ARG 64 Ca -0.05 0.41 -0.41 0.00 -0.77 0.00 0.00 57.85 57.03 3hj3 n ARG 64 Cb 0.56 -5.14 -0.09 0.00 -1.02 0.00 0.00 32.46 26.77 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 -6.86 3.61 0.27 5.56 1.81 -1.17 -5.06 118.95 117.11 3hj3 s ARG 65 Ca 0.70 -0.30 -0.29 0.00 -1.72 0.00 0.00 55.73 54.11 3hj3 s ARG 65 Cb -0.37 -3.79 -0.14 0.00 -0.45 0.00 0.00 34.95 30.19 3hj3 s ARG 65 CO 0.91 -0.54 1.10 -2.30 -0.68 0.00 0.00 175.30 173.79 3hj3 n PRO 66 N 5.49 1.44 -3.40 3.54 -0.02 -1.26 -4.96 135.00 135.83 3hj3 n PRO 66 Ca -0.08 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.53 3hj3 n PRO 66 Cb 0.49 -1.95 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 3hj3 n PRO 66 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hj3 s LEU 67 N 0.35 4.15 0.19 2.45 1.43 -1.26 -5.02 118.68 120.96 3hj3 s LEU 67 Ca 0.62 0.49 -0.32 0.00 -1.03 0.00 0.00 54.13 53.89 3hj3 s LEU 67 Cb -0.72 -2.50 -0.12 0.00 0.03 0.00 0.00 46.19 42.88 3hj3 s LEU 67 CO 0.58 -0.08 1.70 1.17 0.23 0.00 0.00 176.35 179.95 3hj3 n LYS 68 N 4.51 2.63 -1.36 1.70 4.81 -1.26 -3.10 118.16 126.09 3hj3 n LYS 68 Ca -0.09 0.95 -0.12 0.00 -0.87 0.00 0.00 58.31 58.18 3hj3 n LYS 68 Cb 0.51 -2.78 -0.05 0.00 0.02 0.00 0.00 35.03 32.72 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 4.02 -5.38 -4.04 3.14 3.02 -1.26 -4.98 115.26 109.78 3hj3 n ASN 69 Ca 0.16 0.30 -0.24 0.00 -0.03 0.00 0.00 54.58 54.77 3hj3 n ASN 69 Cb 0.34 -3.96 -0.08 0.00 -0.61 0.00 0.00 39.78 35.46 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 -2.96 1.88 -0.28 3.52 0.52 -1.18 -4.52 118.95 115.93 3hj3 s ARG 70 Ca 0.00 -2.14 0.03 0.00 -0.52 0.00 0.00 55.73 53.10 3hj3 s ARG 70 Cb 0.00 -0.48 0.07 0.00 0.52 0.00 0.00 34.95 35.06 3hj3 s ARG 70 CO 0.00 -0.49 -0.05 0.42 0.02 0.00 0.00 175.30 175.20 3hj3 s ILE 71 N -3.27 2.05 0.59 1.52 1.01 -0.57 -4.82 121.20 117.71 3hj3 s ILE 71 Ca 0.27 -1.77 -0.18 0.00 0.00 0.00 0.00 60.65 58.97 3hj3 s ILE 71 Cb 0.03 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3hj3 s ILE 71 CO 0.16 -0.23 1.13 -0.63 0.00 0.00 0.00 174.94 175.37 3hj3 s ILE 72 N 1.11 3.14 -0.22 2.92 -1.09 -0.60 -0.59 121.20 125.86 3hj3 s ILE 72 Ca -0.02 0.64 -0.03 0.00 -2.23 0.00 0.00 60.65 59.01 3hj3 s ILE 72 Cb -0.19 -3.21 0.11 0.00 -1.58 0.00 0.00 42.46 37.59 3hj3 s ILE 72 CO -0.07 -0.22 0.25 -0.69 -1.23 0.00 0.00 174.94 172.99 3hj3 s VAL 73 N -1.96 -0.37 -0.02 2.92 1.01 0.25 -3.21 120.40 119.02 3hj3 s VAL 73 Ca 0.71 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 3hj3 s VAL 73 Cb -0.23 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3hj3 s VAL 73 CO 0.33 -0.24 0.10 -0.69 0.00 0.00 0.00 175.10 174.59 3hj3 s VAL 74 N 2.36 4.89 -0.26 2.92 1.01 -0.28 -1.52 120.40 129.53 3hj3 s VAL 74 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3hj3 s VAL 74 Cb -0.15 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.04 3hj3 s VAL 74 CO -0.16 0.40 -0.05 -0.63 0.00 0.00 0.00 175.10 174.65 3hj3 s ILE 75 N -1.17 2.86 0.17 2.22 1.09 -0.96 -1.53 121.20 123.87 3hj3 s ILE 75 Ca 0.22 -1.12 -0.09 0.00 -1.10 0.00 0.00 60.65 58.56 3hj3 s ILE 75 Cb -0.12 -2.50 -0.01 0.00 -1.06 0.00 0.00 42.46 38.77 3hj3 s ILE 75 CO 0.13 0.13 0.29 -0.55 -0.10 0.00 0.00 174.94 174.84 3hj3 s SER 76 N 1.30 0.03 -0.18 3.58 0.15 -0.82 -3.27 113.70 114.48 3hj3 s SER 76 Ca -0.01 -0.89 -0.10 0.00 0.70 0.00 0.00 55.95 55.65 3hj3 s SER 76 Cb -0.17 0.44 -0.21 0.00 -1.71 0.00 0.00 66.02 64.37 3hj3 s SER 76 CO -0.04 -0.91 0.15 -1.54 1.20 0.00 0.00 173.24 172.10 3hj3 n SER 77 N -0.23 2.01 -0.07 5.45 3.41 -1.26 -4.10 113.62 118.84 3hj3 n SER 77 Ca -0.07 0.22 -0.03 0.00 -0.26 0.00 0.00 58.87 58.74 3hj3 n SER 77 Cb 0.63 -0.81 -0.16 0.00 -0.26 0.00 0.00 64.21 63.61 3hj3 n SER 77 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hj3 n SER 78 N -3.78 0.15 -4.61 4.04 3.41 -1.26 -5.02 113.62 106.55 3hj3 n SER 78 Ca -0.37 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 57.80 3hj3 n SER 78 Cb 0.92 1.32 -0.01 0.00 -0.26 0.00 0.00 64.21 66.18 3hj3 n SER 78 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3hj3 n LEU 79 N -2.56 2.04 -4.72 1.04 0.00 -1.26 -4.93 117.00 106.61 3hj3 n LEU 79 Ca -0.22 1.18 -0.42 0.00 0.00 0.00 0.00 56.01 56.55 3hj3 n LEU 79 Cb 0.94 -1.32 -0.03 0.00 0.00 0.00 0.00 43.42 43.01 3hj3 n LEU 79 CO 0.43 -1.26 0.88 -2.84 0.00 0.00 0.00 177.39 174.60 3hj3 s PRO 80 N -1.54 4.46 -1.47 1.96 0.02 -1.26 -4.99 135.00 132.18 3hj3 s PRO 80 Ca 0.59 1.80 -0.09 0.00 0.02 0.00 0.00 61.00 63.31 3hj3 s PRO 80 Cb -0.69 -3.31 -0.08 0.00 0.02 0.00 0.00 34.50 30.44 3hj3 s PRO 80 CO 0.60 -0.18 2.97 1.04 -0.33 0.00 0.00 177.00 181.09 3hj3 n GLN 81 N 3.40 3.65 -1.95 5.54 3.00 -1.26 -4.86 117.38 124.90 3hj3 n GLN 81 Ca 0.07 -2.22 -0.41 0.00 -0.01 0.00 0.00 57.00 54.43 3hj3 n GLN 81 Cb 0.46 -2.72 -0.02 0.00 0.00 0.00 0.00 30.24 27.96 3hj3 n GLN 81 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3hj3 s ASP 82 N 1.99 6.58 0.15 1.08 -1.08 -1.26 -4.94 116.67 119.19 3hj3 s ASP 82 Ca 0.68 2.73 0.23 0.00 -0.52 0.00 0.00 52.55 55.67 3hj3 s ASP 82 Cb 0.19 -2.62 0.07 0.00 -1.46 0.00 0.00 42.92 39.09 3hj3 s ASP 82 CO -0.06 -0.76 1.07 -0.62 0.52 0.00 0.00 175.17 175.32 3hj3 n GLU 83 N 2.42 0.49 -0.25 4.34 -0.58 -1.26 -4.45 120.64 121.35 3hj3 n GLU 83 Ca 0.08 0.08 0.04 0.00 -0.42 0.00 0.00 57.16 56.93 3hj3 n GLU 83 Cb 0.39 -1.75 0.13 0.00 -0.57 0.00 0.00 31.44 29.64 3hj3 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hj3 h ALA 84 N 2.19 0.67 -2.19 0.62 0.00 -1.96 -3.32 119.26 115.28 3hj3 h ALA 84 Ca 0.00 0.25 -0.63 0.00 0.00 0.00 0.00 54.91 54.53 3hj3 h ALA 84 Cb 0.91 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 3hj3 h ALA 84 CO 0.00 -0.42 0.26 0.34 0.00 0.00 0.00 179.25 179.43 3hj3 s ASP 85 N -5.21 6.44 0.20 0.00 -1.08 -1.26 -4.93 116.67 110.83 3hj3 s ASP 85 Ca -0.14 0.07 0.14 0.00 -0.52 0.00 0.00 52.55 52.10 3hj3 s ASP 85 Cb 0.22 -2.36 -0.03 0.00 -1.46 0.00 0.00 42.92 39.28 3hj3 s ASP 85 CO 0.75 -0.74 1.26 1.55 0.52 0.00 0.00 175.17 178.50 3hj3 h PRO 86 N 8.66 0.00 0.00 4.34 0.14 -1.92 -3.29 132.00 139.93 3hj3 h PRO 86 Ca -0.25 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.89 3hj3 h PRO 86 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.24 3hj3 h PRO 86 CO 0.90 0.53 0.00 0.09 0.14 0.00 0.00 178.00 179.66 3hj3 n ASN 87 N -3.16 0.00 -3.77 1.44 4.13 -1.26 -4.70 115.26 107.94 3hj3 n ASN 87 Ca -0.01 -1.25 -0.13 0.00 1.68 0.00 0.00 54.58 54.87 3hj3 n ASN 87 Cb 0.80 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.95 3hj3 n ASN 87 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hj3 s VAL 88 N -2.00 0.05 -0.11 2.41 1.01 -1.24 -1.56 120.40 118.96 3hj3 s VAL 88 Ca 0.02 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3hj3 s VAL 88 Cb 0.01 -0.58 0.09 0.00 0.00 0.00 0.00 36.38 35.89 3hj3 s VAL 88 CO 0.02 -0.23 0.79 0.54 0.00 0.00 0.00 175.10 176.21 3hj3 s VAL 89 N -1.13 0.00 0.36 2.92 0.11 -1.20 -4.84 120.40 116.63 3hj3 s VAL 89 Ca -0.12 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.01 3hj3 s VAL 89 Cb -0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 3hj3 s VAL 89 CO 0.04 0.00 0.22 -0.69 -3.33 0.00 0.00 175.10 171.34 3hj3 s VAL 90 N -0.98 3.02 0.15 2.04 1.01 -1.26 -1.12 120.40 123.26 3hj3 s VAL 90 Ca -0.07 -1.55 -0.08 0.00 0.00 0.00 0.00 61.98 60.28 3hj3 s VAL 90 Cb -0.01 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 3hj3 s VAL 90 CO 0.06 -0.13 0.24 -0.36 0.00 0.00 0.00 175.10 174.91 3hj3 s PHE 91 N -2.42 0.41 -0.11 5.22 0.08 -0.58 -4.86 117.98 115.71 3hj3 s PHE 91 Ca 0.41 -0.78 0.22 0.00 0.12 0.00 0.00 56.93 56.89 3hj3 s PHE 91 Cb -0.03 -0.10 -0.21 0.00 -0.57 0.00 0.00 43.02 42.11 3hj3 s PHE 91 CO 0.24 -0.67 0.69 0.54 -0.10 0.00 0.00 175.22 175.93 3hj3 n ARG 92 N -0.17 0.64 -3.87 0.44 5.12 -1.26 -1.95 116.66 115.61 3hj3 n ARG 92 Ca -0.09 -0.07 -0.09 0.00 -1.93 0.00 0.00 57.85 55.68 3hj3 n ARG 92 Cb 0.63 -1.64 -0.04 0.00 -1.16 0.00 0.00 32.46 30.25 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 -4.88 -0.20 0.06 0.55 4.22 -1.26 -4.67 114.94 108.76 3hj3 s ASN 93 Ca -0.05 -0.68 -0.27 0.00 -2.14 0.00 0.00 52.86 49.72 3hj3 s ASN 93 Cb 0.12 0.63 -0.17 0.00 1.28 0.00 0.00 41.25 43.11 3hj3 s ASN 93 CO 0.86 -1.18 1.57 0.25 -2.04 0.00 0.00 177.10 176.56 3hj3 h LEU 94 N 2.16 -0.32 -0.70 3.54 5.85 -1.98 -3.19 115.31 120.67 3hj3 h LEU 94 Ca -0.25 -0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.55 3hj3 h LEU 94 Cb 1.25 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 42.23 3hj3 h LEU 94 CO 0.32 -0.14 -0.21 -0.08 -0.34 0.00 0.00 178.44 177.99 3hj3 h GLU 95 N -0.48 -0.03 -0.59 1.25 4.81 -1.98 0.16 114.58 117.73 3hj3 h GLU 95 Ca -0.04 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3hj3 h GLU 95 Cb 0.36 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 3hj3 h GLU 95 CO 0.06 -0.02 0.39 -0.44 -0.73 0.00 0.00 179.01 178.27 3hj3 h ASP 96 N -0.03 0.60 0.06 1.04 3.32 -1.99 0.52 116.42 119.94 3hj3 h ASP 96 Ca 0.32 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3hj3 h ASP 96 Cb 0.53 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3hj3 h ASP 96 CO -0.73 0.42 0.00 -1.54 -1.72 0.00 0.00 179.24 175.66 3hj3 n SER 97 N -4.46 0.02 -4.53 6.45 3.41 0.56 -4.38 113.62 110.68 3hj3 n SER 97 Ca 0.07 0.51 -0.29 0.00 -0.26 0.00 0.00 58.87 58.90 3hj3 n SER 97 Cb 0.13 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.46 3hj3 n SER 97 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hj3 s ILE 98 N -3.02 3.05 0.00 -1.33 1.01 0.17 -4.07 121.20 117.01 3hj3 s ILE 98 Ca 0.01 -1.48 0.00 0.00 0.00 0.00 0.00 60.65 59.18 3hj3 s ILE 98 Cb 0.01 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.05 3hj3 s ILE 98 CO 0.04 0.06 0.00 -1.84 0.00 0.00 0.00 174.94 173.20 3hj3 n GLU 99 N 0.61 0.00 -0.16 2.79 -0.00 -1.26 -4.88 120.64 117.73 3hj3 n GLU 99 Ca -0.14 0.00 0.29 0.00 -0.00 0.00 0.00 57.16 57.31 3hj3 n GLU 99 Cb 0.53 0.00 0.68 0.00 -0.00 0.00 0.00 31.44 32.66 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 0.00 0.00 0.51 -1.84 -0.26 -1.85 -2.86 115.58 109.28 3hj3 h ASN 100 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 3hj3 h ASN 100 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3hj3 h ASN 100 CO 0.00 0.00 -0.24 -0.07 -1.06 0.00 0.00 177.43 176.06 3hj3 h LEU 101 N 0.00 -0.58 -1.69 1.61 3.38 -1.91 -3.07 115.31 113.05 3hj3 h LEU 101 Ca 0.43 0.02 0.34 0.00 0.09 0.00 0.00 57.88 58.76 3hj3 h LEU 101 Cb 2.04 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 42.86 3hj3 h LEU 101 CO -0.00 -0.26 0.82 0.00 0.09 0.00 0.00 178.44 179.08 3hj3 h MET 102 N -0.98 0.15 -5.24 1.13 -0.00 -1.94 -3.45 114.93 104.59 3hj3 h MET 102 Ca -0.07 -0.01 -0.54 0.00 -0.00 0.00 0.00 59.70 59.08 3hj3 h MET 102 Cb 0.52 -0.03 -0.13 0.00 -0.00 0.00 0.00 31.60 31.95 3hj3 h MET 102 CO 0.11 0.10 -0.57 0.54 -0.00 0.00 0.00 176.91 177.09 3hj3 s ASN 103 N -5.05 2.90 -0.50 -0.10 6.03 -1.09 -4.91 114.94 112.22 3hj3 s ASN 103 Ca -0.07 -1.48 -0.23 0.00 -1.03 0.00 0.00 52.86 50.05 3hj3 s ASN 103 Cb 0.25 0.08 0.03 0.00 -3.03 0.00 0.00 41.25 38.58 3hj3 s ASN 103 CO 0.81 -0.69 0.64 0.47 -2.03 0.00 0.00 177.10 176.30 3hj3 n ASP 104 N -0.94 -6.65 0.00 3.54 9.92 -1.26 -4.69 116.55 116.47 3hj3 n ASP 104 Ca -0.06 0.06 0.01 0.00 -0.53 0.00 0.00 54.79 54.28 3hj3 n ASP 104 Cb 0.66 -3.51 0.07 0.00 -0.64 0.00 0.00 41.12 37.71 3hj3 n ASP 104 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3hj3 n ASP 105 N -0.58 0.00 0.06 -2.24 9.92 -1.26 0.38 116.55 122.82 3hj3 n ASP 105 Ca -0.02 0.07 -0.06 0.00 -0.53 0.00 0.00 54.79 54.25 3hj3 n ASP 105 Cb 0.58 -0.13 -0.11 0.00 -0.64 0.00 0.00 41.12 40.82 3hj3 n ASP 105 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3hj3 h SER 106 N 0.00 0.00 -1.38 -2.24 4.64 -1.86 -3.43 113.55 109.28 3hj3 h SER 106 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3hj3 h SER 106 Cb 0.01 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.01 3hj3 h SER 106 CO 0.00 0.94 1.31 -0.63 -0.87 0.00 0.00 176.83 177.58 3hj3 s ILE 107 N -2.73 3.80 -0.01 0.95 1.09 0.16 0.40 121.20 124.87 3hj3 s ILE 107 Ca 0.01 -0.42 -0.17 0.00 -1.10 0.00 0.00 60.65 58.97 3hj3 s ILE 107 Cb 0.09 -4.88 -0.09 0.00 -1.06 0.00 0.00 42.46 36.52 3hj3 s ILE 107 CO 0.81 -1.78 0.83 -0.08 -0.10 0.00 0.00 174.94 174.62 3hj3 h GLU 108 N 10.20 -0.60 -5.36 2.79 4.81 -1.80 -3.48 114.58 121.15 3hj3 h GLU 108 Ca 0.06 0.04 -0.40 0.00 -0.13 0.00 0.00 59.36 58.93 3hj3 h GLU 108 Cb 1.02 0.14 -0.18 0.00 0.63 0.00 0.00 28.75 30.36 3hj3 h GLU 108 CO 1.37 -0.40 -0.75 -0.80 -0.73 0.00 0.00 179.01 177.70 3hj3 s ASN 109 N -4.20 1.97 -0.19 1.04 0.01 -1.26 -4.49 114.94 107.81 3hj3 s ASN 109 Ca -0.09 -0.84 0.01 0.00 -0.71 0.00 0.00 52.86 51.23 3hj3 s ASN 109 Cb 0.01 -0.06 0.03 0.00 0.41 0.00 0.00 41.25 41.64 3hj3 s ASN 109 CO 0.27 -0.17 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.87 3hj3 s ILE 110 N -2.33 2.08 -0.18 0.60 1.01 -0.59 -2.50 121.20 119.29 3hj3 s ILE 110 Ca 0.10 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 3hj3 s ILE 110 Cb -0.04 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 3hj3 s ILE 110 CO 0.03 0.45 0.14 -0.36 0.00 0.00 0.00 174.94 175.20 3hj3 s PHE 111 N 1.26 3.46 -0.31 3.97 0.08 0.38 -2.16 117.98 124.66 3hj3 s PHE 111 Ca 0.03 0.40 -0.09 0.00 0.12 0.00 0.00 56.93 57.38 3hj3 s PHE 111 Cb -0.14 -2.12 -0.00 0.00 -0.57 0.00 0.00 43.02 40.19 3hj3 s PHE 111 CO -0.12 0.40 0.15 0.08 -0.10 0.00 0.00 175.22 175.63 3hj3 s VAL 112 N 0.02 4.55 0.00 -0.44 1.01 -1.00 -0.69 120.40 123.86 3hj3 s VAL 112 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3hj3 s VAL 112 Cb -0.11 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3hj3 s VAL 112 CO -0.00 0.04 0.41 0.00 0.00 0.00 0.00 175.10 175.55 3hj3 n GLY 114 N 0.09 -0.22 0.02 0.00 0.00 -1.11 -4.81 105.19 99.15 3hj3 n GLY 114 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 0.93 0.46 -0.02 0.00 -1.26 -2.05 105.19 103.24 3hj3 n GLY 115 Ca 0.00 -1.29 0.27 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 0.09 -5.86 1.61 4.81 -1.96 -1.08 114.58 112.19 3hj3 h GLU 116 Ca 0.00 -0.01 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 3hj3 h GLU 116 Cb 0.00 -0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.24 3hj3 h GLU 116 CO 0.00 0.06 0.68 -1.54 -0.73 0.00 0.00 179.01 177.48 3hj3 s SER 117 N -5.57 6.25 0.00 1.04 1.04 -1.26 -1.94 113.70 113.26 3hj3 s SER 117 Ca -0.06 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.81 3hj3 s SER 117 Cb 0.22 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.88 3hj3 s SER 117 CO 0.78 -1.44 0.00 0.00 0.98 0.00 0.00 173.24 173.56 3hj3 n ILE 118 N 6.17 0.00 -0.06 -1.02 3.06 -1.03 -4.62 119.36 121.86 3hj3 n ILE 118 Ca 0.00 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.12 3hj3 n ILE 118 Cb 0.47 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.64 3hj3 n ILE 118 CO 0.00 0.00 0.00 1.88 -2.50 0.00 0.00 176.55 175.93 3hj3 h TYR 119 N 0.00 0.99 0.02 9.51 0.05 -1.33 -3.26 116.97 122.95 3hj3 h TYR 119 Ca 0.00 -0.34 -0.26 0.00 0.05 0.00 0.00 58.73 58.18 3hj3 h TYR 119 Cb 0.00 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.52 3hj3 h TYR 119 CO 0.00 1.15 -1.40 -0.09 -1.05 0.00 0.00 178.16 176.77 3hj3 h ARG 120 N 0.61 0.04 0.09 4.88 2.43 -1.61 -3.26 114.38 117.55 3hj3 h ARG 120 Ca 0.02 -0.06 -0.28 0.00 -0.81 0.00 0.00 59.98 58.84 3hj3 h ARG 120 Cb 1.11 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3hj3 h ARG 120 CO 0.11 0.79 -1.38 -0.44 -1.51 0.00 0.00 179.97 177.55 3hj3 h ASP 121 N 0.01 0.29 0.22 -3.80 3.45 -1.80 -2.92 116.42 111.86 3hj3 h ASP 121 Ca -0.17 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 56.93 3hj3 h ASP 121 Cb 1.92 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 40.59 3hj3 h ASP 121 CO 0.11 1.30 0.00 0.00 -1.57 0.00 0.00 179.24 179.08 3hj3 n ALA 122 N -2.56 2.11 0.15 3.45 0.00 -1.23 -2.74 120.51 119.69 3hj3 n ALA 122 Ca -0.11 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.28 3hj3 n ALA 122 Cb 1.02 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 3hj3 n ALA 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hj3 n LEU 123 N -1.18 0.16 0.03 0.00 7.99 -1.21 -2.24 117.00 120.55 3hj3 n LEU 123 Ca 0.11 -0.13 -0.19 0.00 -0.01 0.00 0.00 56.01 55.79 3hj3 n LEU 123 Cb 0.12 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.29 3hj3 n LEU 123 CO 0.13 0.04 0.10 0.50 -1.51 0.00 0.00 177.39 176.65 3hj3 h LYS 124 N 0.00 0.25 0.00 3.23 3.64 -1.35 -3.35 116.57 118.99 3hj3 h LYS 124 Ca 0.00 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3hj3 h LYS 124 Cb 0.51 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3hj3 h LYS 124 CO 0.00 1.20 0.00 -0.25 -2.27 0.00 0.00 179.45 178.13 3hj3 n ASP 125 N -4.21 0.00 -3.95 4.20 10.43 -1.11 -4.87 116.55 117.05 3hj3 n ASP 125 Ca -0.13 -0.79 -0.34 0.00 2.57 0.00 0.00 54.79 56.09 3hj3 n ASP 125 Cb 0.77 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.73 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 -0.89 -2.90 -0.49 -2.24 4.05 -1.25 -4.88 115.26 106.66 3hj3 n ASN 126 Ca 0.12 -1.13 0.11 0.00 0.45 0.00 0.00 54.58 54.13 3hj3 n ASN 126 Cb 0.05 -2.57 0.02 0.00 1.23 0.00 0.00 39.78 38.52 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 -4.55 0.00 -5.08 1.20 0.99 -0.95 -4.97 117.46 104.09 3hj3 n PHE 127 Ca -0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 56.94 3hj3 n PHE 127 Cb 0.62 -0.01 -0.16 0.00 -1.00 0.00 0.00 39.48 38.93 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 -2.47 2.36 -0.06 -4.37 0.11 -1.25 -4.81 120.40 109.90 3hj3 s VAL 128 Ca 0.19 -0.91 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 3hj3 s VAL 128 Cb 0.18 -1.93 -0.00 0.00 -1.53 0.00 0.00 36.38 33.10 3hj3 s VAL 128 CO 0.57 0.55 0.04 0.44 -3.33 0.00 0.00 175.10 173.37 3hj3 h ASP 129 N 6.71 -0.02 -1.89 3.54 5.19 -0.98 -3.47 116.42 125.50 3hj3 h ASP 129 Ca -0.21 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 55.74 3hj3 h ASP 129 Cb 1.23 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 3hj3 h ASP 129 CO 0.50 0.30 -0.39 -0.13 -3.12 0.00 0.00 179.24 176.39 3hj3 s ARG 130 N -1.46 3.05 -0.21 3.56 0.52 -1.10 -2.72 118.95 120.59 3hj3 s ARG 130 Ca -0.00 -1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 54.11 3hj3 s ARG 130 Cb 0.00 -2.73 0.07 0.00 0.52 0.00 0.00 34.95 32.82 3hj3 s ARG 130 CO 0.01 0.14 0.10 0.42 0.02 0.00 0.00 175.30 175.99 3hj3 s ILE 131 N -2.18 -0.00 -0.35 1.52 1.01 -1.16 -1.68 121.20 118.36 3hj3 s ILE 131 Ca 0.42 -0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.42 3hj3 s ILE 131 Cb -0.08 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.64 3hj3 s ILE 131 CO 0.29 -0.41 0.86 -0.31 0.00 0.00 0.00 174.94 175.37 3hj3 s TYR 132 N 2.09 3.12 -0.17 3.97 1.51 0.92 -0.44 117.35 128.35 3hj3 s TYR 132 Ca 0.04 0.74 0.01 0.00 -1.01 0.00 0.00 57.07 56.85 3hj3 s TYR 132 Cb -0.16 -3.48 0.01 0.00 -0.11 0.00 0.00 41.96 38.23 3hj3 s TYR 132 CO -0.17 -0.73 -0.19 -1.17 -1.11 0.00 0.00 175.55 172.17 3hj3 s LEU 133 N 3.25 2.20 -0.32 -1.29 0.20 -0.73 -1.50 118.68 120.50 3hj3 s LEU 133 Ca 0.35 -0.60 -0.15 0.00 0.69 0.00 0.00 54.13 54.42 3hj3 s LEU 133 Cb -0.13 -1.49 -0.02 0.00 -0.43 0.00 0.00 46.19 44.12 3hj3 s LEU 133 CO 0.16 0.03 0.37 -0.89 -0.29 0.00 0.00 176.35 175.73 3hj3 s THR 134 N 1.10 5.17 -0.22 3.68 2.01 0.09 -1.05 115.64 126.41 3hj3 s THR 134 Ca 0.00 0.24 -0.16 0.00 0.31 0.00 0.00 61.69 62.08 3hj3 s THR 134 Cb -0.14 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3hj3 s THR 134 CO -0.07 -0.00 0.40 -0.13 -0.69 0.00 0.00 174.62 174.12 3hj3 s ARG 135 N 2.05 4.13 -0.23 4.92 0.52 0.39 -1.08 118.95 129.64 3hj3 s ARG 135 Ca 0.13 0.17 -0.03 0.00 -0.52 0.00 0.00 55.73 55.48 3hj3 s ARG 135 Cb -0.16 -3.57 0.01 0.00 0.52 0.00 0.00 34.95 31.75 3hj3 s ARG 135 CO 0.11 -0.11 -0.06 0.08 0.02 0.00 0.00 175.30 175.34 3hj3 s VAL 136 N 1.54 3.05 -1.10 3.52 1.01 -0.32 0.08 120.40 128.18 3hj3 s VAL 136 Ca 0.18 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 3hj3 s VAL 136 Cb -0.15 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 3hj3 s VAL 136 CO 0.08 0.32 2.33 0.00 0.00 0.00 0.00 175.10 177.84 3hj3 n ALA 137 N 4.73 5.46 -3.78 5.51 0.00 0.12 -0.63 120.51 131.92 3hj3 n ALA 137 Ca -0.18 -2.39 -0.30 0.00 0.00 0.00 0.00 53.44 50.57 3hj3 n ALA 137 Cb 0.49 -3.10 -0.15 0.00 0.00 0.00 0.00 19.45 16.69 3hj3 n ALA 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hj3 s LEU 138 N 0.12 2.61 0.56 0.00 2.01 -1.26 -4.62 118.68 118.10 3hj3 s LEU 138 Ca 0.47 -1.71 0.08 0.00 0.01 0.00 0.00 54.13 52.99 3hj3 s LEU 138 Cb 0.12 -0.98 0.07 0.00 0.01 0.00 0.00 46.19 45.41 3hj3 s LEU 138 CO -0.04 -0.41 0.67 -0.70 1.01 0.00 0.00 176.35 176.88 3hj3 s GLU 139 N 1.51 2.31 -0.04 1.70 2.56 -1.26 -4.64 118.70 120.83 3hj3 s GLU 139 Ca 0.10 -1.74 0.00 0.00 0.00 0.00 0.00 54.97 53.33 3hj3 s GLU 139 Cb -0.17 -2.49 0.00 0.00 2.00 0.00 0.00 34.13 33.47 3hj3 s GLU 139 CO -0.23 -0.77 0.00 -0.25 -0.56 0.00 0.00 175.26 173.45 3hj3 n ASP 140 N -2.09 -3.53 -4.82 -1.70 10.43 -1.26 -5.00 116.55 108.58 3hj3 n ASP 140 Ca 0.10 0.01 -0.22 0.00 2.57 0.00 0.00 54.79 57.25 3hj3 n ASP 140 Cb 0.62 -1.06 -0.04 0.00 1.84 0.00 0.00 41.12 42.48 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 -1.85 4.17 0.30 0.53 -4.36 -1.26 -5.10 121.20 113.62 3hj3 s ILE 141 Ca 0.00 -1.43 -0.29 0.00 -0.26 0.00 0.00 60.65 58.67 3hj3 s ILE 141 Cb 0.00 -3.32 -0.10 0.00 1.25 0.00 0.00 42.46 40.29 3hj3 s ILE 141 CO 0.00 -0.31 1.29 -1.61 0.24 0.00 0.00 174.94 174.55 3hj3 s GLU 142 N -3.87 4.39 0.05 0.37 2.02 -1.26 -5.03 118.70 115.38 3hj3 s GLU 142 Ca 0.35 2.15 0.07 0.00 0.02 0.00 0.00 54.97 57.55 3hj3 s GLU 142 Cb -0.07 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.02 3hj3 s GLU 142 CO 0.25 -0.16 -0.19 -0.06 0.02 0.00 0.00 175.26 175.12 3hj3 s PHE 143 N -0.87 1.62 0.00 1.61 0.08 -1.26 -4.82 117.98 114.34 3hj3 s PHE 143 Ca 0.50 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 57.17 3hj3 s PHE 143 Cb -0.38 -0.95 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 3hj3 s PHE 143 CO 0.48 0.09 0.15 -0.40 -0.10 0.00 0.00 175.22 175.45 3hj3 n ASP 144 N 1.71 0.30 -3.95 1.36 5.68 0.40 -4.98 116.55 117.06 3hj3 n ASP 144 Ca -0.18 -0.67 -0.24 0.00 -0.50 0.00 0.00 54.79 53.21 3hj3 n ASP 144 Cb 0.54 0.25 -0.17 0.00 -1.14 0.00 0.00 41.12 40.60 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 -0.25 0.90 0.28 2.12 2.01 -0.73 -4.97 115.64 115.00 3hj3 s THR 145 Ca 0.00 -0.31 0.12 0.00 0.31 0.00 0.00 61.69 61.81 3hj3 s THR 145 Cb 0.00 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 3hj3 s THR 145 CO 0.00 0.32 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.75 3hj3 s TYR 146 N 1.02 2.32 -0.15 4.92 2.02 -1.26 -0.64 117.35 125.58 3hj3 s TYR 146 Ca -0.08 -0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.12 3hj3 s TYR 146 Cb -0.15 -1.03 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 3hj3 s TYR 146 CO -0.00 0.71 0.36 0.12 -1.57 0.00 0.00 175.55 175.17 3hj3 s PHE 147 N -2.51 3.47 0.84 2.71 5.99 0.28 -4.32 117.98 124.45 3hj3 s PHE 147 Ca 0.30 0.70 -0.10 0.00 0.00 0.00 0.00 56.93 57.83 3hj3 s PHE 147 Cb -0.05 -2.43 0.10 0.00 0.00 0.00 0.00 43.02 40.65 3hj3 s PHE 147 CO 0.15 0.20 1.11 -1.25 -0.00 0.00 0.00 175.22 175.43 3hj3 s PRO 148 N 0.57 1.67 0.02 10.12 0.04 -1.26 -4.84 135.00 141.32 3hj3 s PRO 148 Ca 0.20 1.25 -0.36 0.00 0.04 0.00 0.00 61.00 62.13 3hj3 s PRO 148 Cb -0.14 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 3hj3 s PRO 148 CO 0.06 -2.08 1.55 -1.91 0.04 0.00 0.00 177.00 174.67 3hj3 n GLU 149 N -3.83 1.59 -1.96 4.56 4.07 -1.26 -4.87 120.64 118.95 3hj3 n GLU 149 Ca 0.10 0.58 -0.42 0.00 -0.06 0.00 0.00 57.16 57.35 3hj3 n GLU 149 Cb 0.53 -2.29 -0.03 0.00 -0.06 0.00 0.00 31.44 29.59 3hj3 n GLU 149 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3hj3 s ILE 150 N 1.63 3.35 0.61 6.31 1.01 -1.26 -4.96 121.20 127.89 3hj3 s ILE 150 Ca 0.86 0.58 -0.17 0.00 0.00 0.00 0.00 60.65 61.93 3hj3 s ILE 150 Cb -0.86 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 3hj3 s ILE 150 CO 0.48 -0.03 1.12 -2.16 0.00 0.00 0.00 174.94 174.35 3hj3 s PRO 151 N 3.53 3.02 0.32 2.79 0.04 -1.26 -4.97 135.00 138.48 3hj3 s PRO 151 Ca 0.75 1.49 0.26 0.00 0.04 0.00 0.00 61.00 63.54 3hj3 s PRO 151 Cb -0.36 -1.97 0.95 0.00 0.04 0.00 0.00 34.50 33.16 3hj3 s PRO 151 CO 0.32 -1.09 1.77 0.93 0.04 0.00 0.00 177.00 178.97 3hj3 h GLU 152 N 0.51 0.00 0.00 4.56 5.08 -2.02 -2.56 114.58 120.16 3hj3 h GLU 152 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3hj3 h GLU 152 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3hj3 h GLU 152 CO 0.55 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.81 3hj3 n THR 153 N -2.50 0.00 -4.30 1.13 -2.24 -1.26 -4.62 114.28 100.49 3hj3 n THR 153 Ca 0.03 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.46 3hj3 n THR 153 Cb 0.33 -0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.00 3.22 -0.03 4.78 0.08 -0.97 -3.43 117.98 119.63 3hj3 s PHE 154 Ca 0.08 0.24 -0.02 0.00 0.12 0.00 0.00 56.93 57.35 3hj3 s PHE 154 Cb 0.04 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 3hj3 s PHE 154 CO 0.06 0.50 0.08 -0.51 -0.10 0.00 0.00 175.22 175.26 3hj3 s LEU 155 N -0.88 1.33 0.03 -0.37 1.43 0.19 -4.92 118.68 115.49 3hj3 s LEU 155 Ca 0.13 0.16 -0.33 0.00 -1.03 0.00 0.00 54.13 53.06 3hj3 s LEU 155 Cb -0.11 0.20 -0.11 0.00 0.03 0.00 0.00 46.19 46.19 3hj3 s LEU 155 CO 0.03 -0.08 1.83 -2.65 0.23 0.00 0.00 176.35 175.70 3hj3 n PRO 156 N 3.60 2.44 0.00 1.29 -0.02 -1.26 -1.49 135.00 139.56 3hj3 n PRO 156 Ca -0.19 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3hj3 n PRO 156 Cb 0.55 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3hj3 n PRO 156 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3hj3 n VAL 157 N 4.76 0.00 -4.05 -1.45 0.24 -0.86 -1.83 118.33 115.15 3hj3 n VAL 157 Ca 0.20 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 3hj3 n VAL 157 Cb 0.33 0.97 -0.11 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.93 0.57 -0.21 6.34 5.04 -0.97 -4.08 117.35 123.11 3hj3 s TYR 158 Ca 0.00 -0.49 -0.09 0.00 -2.44 0.00 0.00 57.07 54.05 3hj3 s TYR 158 Cb 0.00 -0.35 0.09 0.00 0.35 0.00 0.00 41.96 42.05 3hj3 s TYR 158 CO 0.00 -0.10 0.46 1.41 -1.34 0.00 0.00 175.55 175.98 3hj3 s MET 159 N -1.50 0.40 0.78 4.97 -2.45 -0.97 -3.27 119.30 117.25 3hj3 s MET 159 Ca -0.11 1.04 -0.09 0.00 -1.25 0.00 0.00 55.69 55.28 3hj3 s MET 159 Cb -0.10 0.29 0.10 0.00 1.25 0.00 0.00 34.83 36.37 3hj3 s MET 159 CO 0.00 -0.21 1.10 -1.54 1.05 0.00 0.00 175.02 175.42 3hj3 s SER 160 N 2.25 4.36 0.79 1.11 1.04 -0.17 -2.93 113.70 120.15 3hj3 s SER 160 Ca -0.05 0.39 -0.12 0.00 0.48 0.00 0.00 55.95 56.65 3hj3 s SER 160 Cb -0.11 -0.85 0.08 0.00 0.10 0.00 0.00 66.02 65.24 3hj3 s SER 160 CO -0.14 -1.91 1.14 0.00 0.98 0.00 0.00 173.24 173.31 3hj3 s GLN 161 N -5.43 1.87 0.27 4.02 -2.07 -1.25 -3.34 119.66 113.74 3hj3 s GLN 161 Ca 0.64 1.49 -0.29 0.00 -1.82 0.00 0.00 55.36 55.37 3hj3 s GLN 161 Cb -0.09 -1.83 -0.09 0.00 -1.09 0.00 0.00 33.01 29.91 3hj3 s GLN 161 CO 0.47 -1.98 1.22 0.99 -1.32 0.00 0.00 175.29 174.66 3hj3 s THR 162 N -2.50 3.19 0.17 3.63 2.01 -1.26 -4.71 115.64 116.18 3hj3 s THR 162 Ca 0.67 1.13 0.10 0.00 0.31 0.00 0.00 61.69 63.91 3hj3 s THR 162 Cb -0.23 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 3hj3 s THR 162 CO 0.52 0.24 -0.22 -0.36 -0.69 0.00 0.00 174.62 174.11 3hj3 s PHE 163 N -0.81 2.11 -0.07 4.92 0.40 -0.84 -4.58 117.98 119.11 3hj3 s PHE 163 Ca 0.49 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.46 3hj3 s PHE 163 Cb -0.35 -1.07 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 3hj3 s PHE 163 CO 0.44 0.41 -0.21 0.00 0.70 0.00 0.00 175.22 176.56 3hj3 s THR 165 N -0.14 -0.23 -1.54 0.00 2.01 -0.53 -4.89 115.64 110.33 3hj3 s THR 165 Ca -0.03 0.35 -0.06 0.00 0.31 0.00 0.00 61.69 62.26 3hj3 s THR 165 Cb -0.14 -0.27 0.05 0.00 0.01 0.00 0.00 72.50 72.15 3hj3 s THR 165 CO 0.04 0.15 0.40 0.29 -0.69 0.00 0.00 174.62 174.80 3hj3 n LYS 166 N 5.23 -2.48 -2.02 4.92 5.02 -1.26 -0.58 118.16 126.99 3hj3 n LYS 166 Ca -0.06 0.30 -0.18 0.00 -2.02 0.00 0.00 58.31 56.34 3hj3 n LYS 166 Cb 0.50 -4.42 -0.04 0.00 -0.02 0.00 0.00 35.03 31.06 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 -2.86 -5.28 -4.48 4.39 5.03 -1.26 -4.99 115.26 105.81 3hj3 n ASN 167 Ca -0.20 0.17 -0.34 0.00 0.87 0.00 0.00 54.58 55.08 3hj3 n ASN 167 Cb 0.63 -4.36 -0.12 0.00 -1.02 0.00 0.00 39.78 34.91 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 -2.82 3.82 0.24 2.41 1.01 0.25 -4.83 121.20 121.28 3hj3 s ILE 168 Ca 0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.08 3hj3 s ILE 168 Cb 0.00 -2.67 -0.08 0.00 0.01 0.00 0.00 42.46 39.71 3hj3 s ILE 168 CO 0.00 0.49 0.73 -0.44 0.00 0.00 0.00 174.94 175.72 3hj3 s SER 169 N 0.41 6.99 -0.04 3.58 0.01 -1.26 -1.45 113.70 121.94 3hj3 s SER 169 Ca -0.04 1.39 -0.20 0.00 1.31 0.00 0.00 55.95 58.41 3hj3 s SER 169 Cb -0.14 -2.41 0.04 0.00 0.21 0.00 0.00 66.02 63.72 3hj3 s SER 169 CO 0.03 -0.02 0.43 -0.72 0.41 0.00 0.00 173.24 173.37 3hj3 s TYR 170 N -1.62 -0.36 0.38 2.43 1.13 -0.32 -0.70 117.35 118.30 3hj3 s TYR 170 Ca 0.45 0.63 0.08 0.00 -1.41 0.00 0.00 57.07 56.82 3hj3 s TYR 170 Cb -0.15 0.20 -0.03 0.00 -1.10 0.00 0.00 41.96 40.87 3hj3 s TYR 170 CO 0.20 -0.44 0.26 -0.51 -2.51 0.00 0.00 175.55 172.56 3hj3 s ASP 171 N -1.11 4.85 -0.09 -0.18 1.01 0.11 -1.99 116.67 119.27 3hj3 s ASP 171 Ca -0.11 -0.79 0.01 0.00 0.71 0.00 0.00 52.55 52.37 3hj3 s ASP 171 Cb -0.03 -0.65 0.02 0.00 1.01 0.00 0.00 42.92 43.26 3hj3 s ASP 171 CO 0.05 -0.49 -0.11 -0.36 0.21 0.00 0.00 175.17 174.47 3hj3 s PHE 172 N -2.46 1.57 -0.15 4.23 0.08 -1.26 -0.46 117.98 119.53 3hj3 s PHE 172 Ca 0.43 -0.70 -0.05 0.00 0.12 0.00 0.00 56.93 56.72 3hj3 s PHE 172 Cb -0.02 -1.21 0.07 0.00 -0.57 0.00 0.00 43.02 41.30 3hj3 s PHE 172 CO 0.25 -0.42 0.30 0.00 -0.10 0.00 0.00 175.22 175.25 3hj3 s MET 173 N 1.17 0.19 -0.01 0.44 0.23 -0.21 -1.00 119.30 120.10 3hj3 s MET 173 Ca -0.05 0.80 -0.24 0.00 -1.03 0.00 0.00 55.69 55.17 3hj3 s MET 173 Cb -0.14 0.01 -0.05 0.00 -1.53 0.00 0.00 34.83 33.12 3hj3 s MET 173 CO -0.03 -0.29 0.71 0.96 -2.03 0.00 0.00 175.02 174.34 3hj3 s ILE 174 N 2.46 4.88 0.34 3.16 -4.36 -1.20 -1.77 121.20 124.72 3hj3 s ILE 174 Ca 0.01 1.50 0.07 0.00 -0.26 0.00 0.00 60.65 61.97 3hj3 s ILE 174 Cb -0.12 -4.06 -0.03 0.00 1.25 0.00 0.00 42.46 39.51 3hj3 s ILE 174 CO -0.10 0.33 0.30 -0.36 0.24 0.00 0.00 174.94 175.35 3hj3 s PHE 175 N 0.24 2.89 0.05 1.37 0.40 0.41 -2.02 117.98 121.31 3hj3 s PHE 175 Ca 0.37 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.34 3hj3 s PHE 175 Cb -0.19 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 3hj3 s PHE 175 CO 0.20 0.16 0.07 -1.21 0.70 0.00 0.00 175.22 175.14 3hj3 s GLU 176 N -4.00 0.61 -0.01 0.44 2.02 -0.56 -2.99 118.70 114.21 3hj3 s GLU 176 Ca 0.41 -0.90 -0.00 0.00 0.02 0.00 0.00 54.97 54.50 3hj3 s GLU 176 Cb -0.06 0.23 -0.04 0.00 0.10 0.00 0.00 34.13 34.37 3hj3 s GLU 176 CO 0.27 -0.15 0.07 0.21 0.02 0.00 0.00 175.26 175.68 3hj3 s LYS 177 N -3.04 3.03 0.00 1.61 2.20 -1.10 0.55 119.74 122.98 3hj3 s LYS 177 Ca -0.01 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 3hj3 s LYS 177 Cb 0.01 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 3hj3 s LYS 177 CO -0.07 0.65 0.00 0.94 -0.36 0.00 0.00 175.35 176.52 3hj3 n GLN 178 N 1.30 0.00 0.00 4.03 7.27 -1.22 -5.00 117.38 123.76 3hj3 n GLN 178 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.93 3hj3 n GLN 178 Cb 0.53 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.18 3hj3 n GLN 178 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3hj3 n GLU 179 N 0.00 0.00 -1.75 3.69 1.02 -1.26 -4.78 120.64 117.56 3hj3 n GLU 179 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hj3 n GLU 179 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3hj3 n GLU 179 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3hj3 n LYS 180 N -1.65 1.75 0.00 3.49 0.00 -1.26 -4.89 118.16 115.59 3hj3 n LYS 180 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3hj3 n LYS 180 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3hj3 n LYS 180 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3hj3 n LYS 181 N -0.25 0.00 0.00 1.64 0.00 -1.26 -5.35 118.16 112.94 3hj3 n LYS 181 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3hj3 n LYS 181 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3hj3 n LYS 181 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 3hj3 n THR 182 N 0.00 0.00 0.00 3.15 -1.04 -1.26 -5.34 114.28 109.79 3hj3 n THR 182 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hj3 n THR 182 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hj3 n THR 182 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hj3 n GLN 192 N 0.00 0.00 -4.52 -2.82 1.13 -1.26 -5.08 117.38 104.83 3hj3 n GLN 192 Ca 0.00 0.21 -0.23 0.00 -1.94 0.00 0.00 57.00 55.04 3hj3 n GLN 192 Cb 0.00 -0.68 -0.16 0.00 0.11 0.00 0.00 30.24 29.50 3hj3 n GLN 192 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 3hj3 s LEU 193 N -2.62 1.66 0.40 1.08 2.34 -1.26 -5.02 118.68 115.27 3hj3 s LEU 193 Ca 0.00 -0.26 0.35 0.00 0.06 0.00 0.00 54.13 54.28 3hj3 s LEU 193 Cb 0.00 -0.74 1.29 0.00 -0.56 0.00 0.00 46.19 46.18 3hj3 s LEU 193 CO 0.00 0.04 1.21 1.17 -1.06 0.00 0.00 176.35 177.71 3hj3 n LYS 194 N 3.67 -0.01 0.35 1.48 4.81 -1.26 -0.96 118.16 126.25 3hj3 n LYS 194 Ca -0.22 0.88 -0.15 0.00 -0.87 0.00 0.00 58.31 57.95 3hj3 n LYS 194 Cb 0.52 -1.94 -0.07 0.00 0.02 0.00 0.00 35.03 33.56 3hj3 n LYS 194 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3hj3 h SER 195 N 0.00 -0.92 0.72 3.14 0.87 -1.99 -2.36 113.55 113.00 3hj3 h SER 195 Ca 0.72 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 61.29 3hj3 h SER 195 Cb 2.72 0.26 0.01 0.00 -0.44 0.00 0.00 62.40 64.95 3hj3 h SER 195 CO -0.12 -0.59 -0.35 0.40 -0.53 0.00 0.00 176.83 175.65 3hj3 h ILE 196 N -0.95 0.25 -0.91 2.23 2.04 -1.48 -0.09 117.51 118.60 3hj3 h ILE 196 Ca -0.09 -0.10 0.24 0.00 1.00 0.00 0.00 64.86 65.91 3hj3 h ILE 196 Cb 0.75 0.28 -0.17 0.00 -0.74 0.00 0.00 36.82 36.94 3hj3 h ILE 196 CO 0.11 0.01 -0.03 0.47 0.00 0.00 0.00 178.15 178.71 3hj3 n ASP 197 N -5.48 -0.15 0.02 1.72 8.00 -1.24 -1.03 116.55 118.39 3hj3 n ASP 197 Ca -0.14 1.55 -0.12 0.00 0.71 0.00 0.00 54.79 56.79 3hj3 n ASP 197 Cb 0.40 -0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 40.86 3hj3 n ASP 197 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3hj3 h ASP 198 N 0.00 -0.10 -1.01 -2.24 3.45 -1.00 -1.87 116.42 113.64 3hj3 h ASP 198 Ca 0.53 -0.48 0.24 0.00 0.43 0.00 0.00 57.03 57.75 3hj3 h ASP 198 Cb 1.04 0.03 -0.11 0.00 -0.56 0.00 0.00 39.33 39.72 3hj3 h ASP 198 CO -0.87 0.49 0.62 0.74 -1.57 0.00 0.00 179.24 178.64 3hj3 h THR 199 N -0.76 0.56 -0.12 0.35 2.02 -0.51 0.39 112.91 114.83 3hj3 h THR 199 Ca -0.01 -0.19 -0.16 0.00 0.77 0.00 0.00 66.41 66.82 3hj3 h THR 199 Cb 0.57 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3hj3 h THR 199 CO 0.02 0.10 -0.59 0.58 0.37 0.00 0.00 175.52 176.00 3hj3 h VAL 200 N 0.56 1.35 -0.17 3.16 2.07 -1.07 -2.35 116.25 119.81 3hj3 h VAL 200 Ca 0.62 -1.91 -0.21 0.00 0.82 0.00 0.00 66.70 66.02 3hj3 h VAL 200 Cb 1.25 1.91 0.01 0.00 -1.52 0.00 0.00 31.29 32.94 3hj3 h VAL 200 CO -0.42 0.58 -0.74 0.44 0.02 0.00 0.00 177.57 177.45 3hj3 h ASP 201 N 0.30 0.90 -0.15 0.57 3.45 -0.33 -2.58 116.42 118.58 3hj3 h ASP 201 Ca -0.00 -0.57 -0.12 0.00 0.43 0.00 0.00 57.03 56.77 3hj3 h ASP 201 Cb 1.12 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.63 3hj3 h ASP 201 CO 0.10 1.37 -0.36 -0.07 -1.57 0.00 0.00 179.24 178.71 3hj3 h LEU 202 N 0.53 0.58 0.00 1.55 4.07 -0.32 -1.72 115.31 120.00 3hj3 h LEU 202 Ca -0.04 -0.57 0.00 0.00 0.08 0.00 0.00 57.88 57.35 3hj3 h LEU 202 Cb 1.36 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.93 3hj3 h LEU 202 CO 0.15 1.04 0.00 -0.11 -1.08 0.00 0.00 178.44 178.45 3hj3 n LEU 203 N -4.33 0.00 -0.08 1.67 7.94 -0.88 -2.40 117.00 118.91 3hj3 n LEU 203 Ca -0.07 0.39 -0.16 0.00 -1.11 0.00 0.00 56.01 55.06 3hj3 n LEU 203 Cb 0.51 -0.39 -0.14 0.00 0.53 0.00 0.00 43.42 43.94 3hj3 n LEU 203 CO 0.44 -0.26 -1.11 0.61 -1.11 0.00 0.00 177.39 175.96 3hj3 n GLY 204 N -0.47 -0.61 0.24 -3.96 0.00 -0.78 -3.32 105.19 96.29 3hj3 n GLY 204 Ca 0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 3hj3 n GLY 204 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hj3 h GLU 205 N 0.02 0.76 0.60 1.61 5.08 -1.21 -1.89 114.58 119.54 3hj3 h GLU 205 Ca -0.51 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 57.35 3hj3 h GLU 205 Cb 2.02 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.31 3hj3 h GLU 205 CO -0.01 1.10 -0.43 0.82 -1.00 0.00 0.00 179.01 179.49 3hj3 h ILE 206 N 0.58 0.00 0.00 3.13 2.04 -1.64 -3.25 117.51 118.37 3hj3 h ILE 206 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3hj3 h ILE 206 Cb 1.12 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3hj3 h ILE 206 CO 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 178.15 177.97 3hj3 n ALA 207 N -2.68 2.72 -0.24 1.87 0.00 -1.21 -4.99 120.51 115.99 3hj3 n ALA 207 Ca -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3hj3 n ALA 207 Cb 0.42 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.39 2.72 0.11 0.00 0.00 -0.71 0.35 105.19 109.05 3hj3 n GLY 208 Ca 0.05 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3hj3 n GLY 208 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hj3 n ILE 209 N 0.00 1.14 0.21 -0.61 -0.00 -1.26 -2.03 119.36 116.81 3hj3 n ILE 209 Ca 0.00 0.67 0.10 0.00 -0.00 0.00 0.00 62.75 63.52 3hj3 n ILE 209 Cb 0.00 -1.67 0.27 0.00 -0.00 0.00 0.00 39.64 38.24 3hj3 n ILE 209 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 3hj3 h ARG 210 N 0.00 0.00 -5.52 0.38 3.08 -0.50 -3.42 114.38 108.40 3hj3 h ARG 210 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3hj3 h ARG 210 Cb 0.19 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.13 3hj3 h ARG 210 CO 0.00 0.19 0.04 0.21 -1.07 0.00 0.00 179.97 179.34 3hj3 s LYS 211 N -3.31 4.15 0.37 0.04 2.20 -0.86 -4.99 119.74 117.35 3hj3 s LYS 211 Ca 0.04 0.46 0.15 0.00 -0.36 0.00 0.00 55.97 56.26 3hj3 s LYS 211 Cb 0.07 -3.60 1.00 0.00 -1.51 0.00 0.00 37.83 33.79 3hj3 s LYS 211 CO 0.66 -0.27 1.78 1.98 -0.36 0.00 0.00 175.35 179.15 3hj3 h MET 212 N 7.68 0.48 0.00 4.03 1.85 -1.88 0.11 114.93 127.20 3hj3 h MET 212 Ca -0.31 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.75 3hj3 h MET 212 Cb 1.14 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.06 3hj3 h MET 212 CO 0.75 0.32 0.24 0.41 -0.40 0.00 0.00 176.91 178.22 3hj3 n GLY 213 N -1.43 -0.66 0.05 1.39 0.00 -1.26 -1.33 105.19 101.95 3hj3 n GLY 213 Ca 0.24 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.51 3hj3 n GLY 213 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hj3 n ASN 214 N -2.07 0.42 0.02 1.61 4.13 0.38 -3.86 115.26 115.90 3hj3 n ASN 214 Ca -0.01 0.04 0.13 0.00 1.68 0.00 0.00 54.58 56.42 3hj3 n ASN 214 Cb 0.26 1.24 0.46 0.00 -1.54 0.00 0.00 39.78 40.20 3hj3 n ASN 214 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3hj3 n ARG 215 N -2.32 0.07 -3.11 3.52 1.74 -0.44 -4.26 116.66 111.86 3hj3 n ARG 215 Ca -0.01 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.88 3hj3 n ARG 215 Cb 0.53 -1.57 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 3hj3 n ARG 215 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hj3 n HIS 216 N -1.69 2.05 -1.43 -1.55 8.25 -1.07 -4.96 115.22 114.82 3hj3 n HIS 216 Ca 0.06 -3.90 -0.29 0.00 -0.26 0.00 0.00 57.72 53.33 3hj3 n HIS 216 Cb 0.36 -0.46 0.19 0.00 1.12 0.00 0.00 29.99 31.21 3hj3 n HIS 216 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3hj3 s LYS 217 N -2.73 0.11 -0.19 -0.41 1.02 -1.25 -4.87 119.74 111.43 3hj3 s LYS 217 Ca 0.43 0.02 -0.13 0.00 0.02 0.00 0.00 55.97 56.30 3hj3 s LYS 217 Cb 0.28 -1.74 -0.05 0.00 -0.52 0.00 0.00 37.83 35.80 3hj3 s LYS 217 CO -0.10 -2.84 0.28 0.12 -0.92 0.00 0.00 175.35 171.90 3hj3 s PHE 218 N -3.30 3.41 0.17 3.18 5.36 -1.26 -4.93 117.98 120.61 3hj3 s PHE 218 Ca 0.69 0.51 -0.34 0.00 -0.96 0.00 0.00 56.93 56.83 3hj3 s PHE 218 Cb -0.11 -2.37 -0.15 0.00 -0.34 0.00 0.00 43.02 40.06 3hj3 s PHE 218 CO 0.55 0.14 1.35 -2.30 -1.46 0.00 0.00 175.22 173.50 3hj3 n PRO 219 N 3.95 1.59 -1.08 10.12 -0.02 -1.26 -4.90 135.00 143.39 3hj3 n PRO 219 Ca -0.12 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.58 3hj3 n PRO 219 Cb 0.52 -2.20 0.10 0.00 -0.02 0.00 0.00 33.50 31.90 3hj3 n PRO 219 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hj3 n LYS 220 N 2.34 0.09 0.26 -0.52 4.01 -1.26 -4.83 118.16 118.25 3hj3 n LYS 220 Ca 0.15 0.08 0.11 0.00 -0.51 0.00 0.00 58.31 58.15 3hj3 n LYS 220 Cb 0.26 -1.96 0.71 0.00 -0.51 0.00 0.00 35.03 33.53 3hj3 n LYS 220 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 3hj3 h GLU 221 N -0.86 0.00 -0.07 1.97 4.81 -1.93 -3.02 114.58 115.48 3hj3 h GLU 221 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3hj3 h GLU 221 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3hj3 h GLU 221 CO 0.40 0.11 0.00 -0.85 -0.73 0.00 0.00 179.01 177.94 3hj3 n GLU 222 N -3.88 1.48 0.00 1.92 0.00 -1.26 -3.16 120.64 115.74 3hj3 n GLU 222 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 57.16 56.43 3hj3 n GLU 222 Cb 0.20 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 30.23 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 -0.10 0.44 -3.65 3.84 -5.35 -1.14 -5.01 119.36 108.40 3hj3 n ILE 223 Ca 0.18 -0.57 -0.36 0.00 -0.27 0.00 0.00 62.75 61.73 3hj3 n ILE 223 Cb 0.26 0.89 -0.08 0.00 -1.74 0.00 0.00 39.64 38.97 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 -0.44 3.44 0.20 4.28 6.04 -1.19 -4.50 117.35 125.17 3hj3 s TYR 224 Ca 0.00 0.45 -0.28 0.00 0.04 0.00 0.00 57.07 57.28 3hj3 s TYR 224 Cb 0.00 -2.24 -0.08 0.00 -1.04 0.00 0.00 41.96 38.60 3hj3 s TYR 224 CO 0.00 0.28 0.87 1.21 -1.54 0.00 0.00 175.55 176.37 3hj3 s ASN 225 N 0.38 7.53 -0.88 4.32 3.84 -1.26 -4.15 114.94 124.72 3hj3 s ASN 225 Ca 0.12 1.81 -0.05 0.00 0.21 0.00 0.00 52.86 54.95 3hj3 s ASN 225 Cb -0.12 -2.56 0.01 0.00 -0.55 0.00 0.00 41.25 38.02 3hj3 s ASN 225 CO 0.01 0.17 0.62 0.41 -2.79 0.00 0.00 177.10 175.51 3hj3 n THR 226 N 1.62 -3.45 0.00 -5.21 -1.04 -1.26 -4.86 114.28 100.08 3hj3 n THR 226 Ca -0.03 -0.11 -0.02 0.00 -2.04 0.00 0.00 64.05 61.84 3hj3 n THR 226 Cb 0.48 -2.96 0.24 0.00 -1.82 0.00 0.00 70.33 66.27 3hj3 n THR 226 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3hj3 h PRO 227 N -0.63 0.51 -1.25 -2.82 0.11 -1.88 -2.35 132.00 123.69 3hj3 h PRO 227 Ca -0.63 -0.15 0.36 0.00 0.11 0.00 0.00 66.00 65.68 3hj3 h PRO 227 Cb 1.39 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.37 3hj3 h PRO 227 CO 0.39 0.64 0.85 0.66 -0.21 0.00 0.00 178.00 180.34 3hj3 h SER 228 N 0.47 0.20 -1.31 -2.05 4.64 -1.89 -3.25 113.55 110.35 3hj3 h SER 228 Ca 0.08 0.06 -0.63 0.00 -0.47 0.00 0.00 61.79 60.83 3hj3 h SER 228 Cb 0.53 0.03 -0.11 0.00 -0.31 0.00 0.00 62.40 62.54 3hj3 h SER 228 CO 0.03 -0.01 1.52 -0.63 -0.87 0.00 0.00 176.83 176.87 3hj3 s ILE 229 N -5.19 4.13 -0.12 0.95 1.01 -0.76 -4.46 121.20 116.76 3hj3 s ILE 229 Ca -0.07 -1.19 -0.10 0.00 0.00 0.00 0.00 60.65 59.30 3hj3 s ILE 229 Cb 0.26 -5.04 -0.09 0.00 0.01 0.00 0.00 42.46 37.60 3hj3 s ILE 229 CO 0.82 -1.87 0.22 -0.09 0.00 0.00 0.00 174.94 174.02 3hj3 h ARG 230 N 9.12 0.00 -0.26 2.79 2.43 -1.78 -3.41 114.38 123.28 3hj3 h ARG 230 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3hj3 h ARG 230 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3hj3 h ARG 230 CO 1.38 0.33 0.00 1.19 -1.51 0.00 0.00 179.97 181.36 3hj3 n PHE 231 N -4.71 0.33 -2.68 2.20 3.01 -1.26 -4.52 117.46 109.84 3hj3 n PHE 231 Ca -0.05 -0.23 -0.07 0.00 1.01 0.00 0.00 57.45 58.11 3hj3 n PHE 231 Cb 0.18 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 39.68 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 1.01 2.42 3.56 1.37 0.00 -1.26 -4.95 105.19 107.33 3hj3 n GLY 232 Ca 0.14 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 3hj3 n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hj3 s ARG 233 N -3.54 3.64 -0.00 1.61 0.52 -1.26 -2.28 118.95 117.64 3hj3 s ARG 233 Ca 0.31 -1.27 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 3hj3 s ARG 233 Cb 0.38 -5.36 -0.05 0.00 0.52 0.00 0.00 34.95 30.44 3hj3 s ARG 233 CO -0.02 -2.19 0.12 -1.91 0.02 0.00 0.00 175.30 171.32 3hj3 n GLU 234 N 8.70 2.94 -2.06 3.54 2.13 -1.15 -4.94 120.64 129.80 3hj3 n GLU 234 Ca 0.35 -0.02 -0.43 0.00 0.66 0.00 0.00 57.16 57.72 3hj3 n GLU 234 Cb 0.50 -0.88 -0.03 0.00 0.27 0.00 0.00 31.44 31.31 3hj3 n GLU 234 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3hj3 s HIS 235 N -1.80 2.04 0.34 4.31 2.46 -1.15 -3.79 115.29 117.70 3hj3 s HIS 235 Ca -0.00 0.42 0.29 0.00 0.47 0.00 0.00 55.06 56.24 3hj3 s HIS 235 Cb 0.03 -3.94 1.56 0.00 -0.13 0.00 0.00 32.58 30.10 3hj3 s HIS 235 CO 0.15 -3.30 1.86 1.88 -2.47 0.00 0.00 174.74 172.86 3hj3 h TYR 236 N 10.37 0.00 0.00 3.88 -1.99 -1.89 -1.77 116.97 125.56 3hj3 h TYR 236 Ca -0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.37 3hj3 h TYR 236 Cb 1.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.89 3hj3 h TYR 236 CO 0.90 0.00 0.00 -1.91 -0.00 0.00 0.00 178.16 177.15 3hj3 n GLU 237 N -2.63 0.12 0.05 4.88 2.13 -1.26 -0.29 120.64 123.65 3hj3 n GLU 237 Ca -0.02 0.59 -0.12 0.00 0.66 0.00 0.00 57.16 58.28 3hj3 n GLU 237 Cb 0.21 -1.88 -0.01 0.00 0.27 0.00 0.00 31.44 30.03 3hj3 n GLU 237 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 3hj3 h PHE 238 N 0.00 0.62 -1.26 4.31 0.04 -1.71 -1.78 116.94 117.16 3hj3 h PHE 238 Ca 0.00 -0.30 0.36 0.00 2.80 0.00 0.00 57.97 60.83 3hj3 h PHE 238 Cb 0.04 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.04 3hj3 h PHE 238 CO 0.00 1.09 0.89 1.96 -0.60 0.00 0.00 178.31 181.65 3hj3 h GLN 239 N 0.28 0.06 0.00 1.51 1.08 -0.86 0.52 115.11 117.71 3hj3 h GLN 239 Ca -0.05 -0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.92 3hj3 h GLN 239 Cb 1.42 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.81 3hj3 h GLN 239 CO 0.14 0.04 -1.30 0.98 -0.95 0.00 0.00 178.83 177.74 3hj3 n TYR 240 N -4.25 0.89 -0.06 2.96 4.19 -1.04 -3.31 117.16 116.55 3hj3 n TYR 240 Ca 0.28 0.39 0.05 0.00 3.31 0.00 0.00 57.90 61.93 3hj3 n TYR 240 Cb 1.29 -1.05 0.40 0.00 0.49 0.00 0.00 39.34 40.48 3hj3 n TYR 240 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 3hj3 h LEU 241 N -1.00 0.53 -0.08 2.98 3.38 -0.84 -1.41 115.31 118.86 3hj3 h LEU 241 Ca -0.34 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 3hj3 h LEU 241 Cb 1.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hj3 h LEU 241 CO -0.21 0.37 -0.15 0.44 0.09 0.00 0.00 178.44 178.98 3hj3 h ASP 242 N 0.62 0.28 -0.69 -0.43 3.32 -0.14 -1.65 116.42 117.72 3hj3 h ASP 242 Ca 0.20 -0.55 0.09 0.00 0.02 0.00 0.00 57.03 56.79 3hj3 h ASP 242 Cb 0.04 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.44 3hj3 h ASP 242 CO -0.05 0.78 0.33 0.25 -1.72 0.00 0.00 179.24 178.83 3hj3 h LEU 243 N -0.22 0.43 -0.05 1.55 5.85 -1.47 0.39 115.31 121.78 3hj3 h LEU 243 Ca 0.00 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3hj3 h LEU 243 Cb 0.73 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 3hj3 h LEU 243 CO 0.03 0.24 -0.30 0.25 -0.34 0.00 0.00 178.44 178.33 3hj3 h LEU 244 N 0.57 -0.89 -0.73 2.25 5.85 -1.07 -1.50 115.31 119.79 3hj3 h LEU 244 Ca 0.34 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 59.08 3hj3 h LEU 244 Cb 0.37 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3hj3 h LEU 244 CO -0.27 -0.35 -0.15 0.77 -0.34 0.00 0.00 178.44 178.10 3hj3 h SER 245 N -0.41 0.82 -0.77 1.25 4.64 0.06 -0.51 113.55 118.62 3hj3 h SER 245 Ca 0.08 -0.26 0.09 0.00 -0.47 0.00 0.00 61.79 61.22 3hj3 h SER 245 Cb 0.52 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 3hj3 h SER 245 CO -0.28 0.97 0.50 0.03 -0.87 0.00 0.00 176.83 177.18 3hj3 h ARG 246 N 0.73 0.68 0.20 4.77 3.08 0.03 -1.76 114.38 122.11 3hj3 h ARG 246 Ca 0.11 -0.04 -0.31 0.00 0.07 0.00 0.00 59.98 59.81 3hj3 h ARG 246 Cb 0.65 -0.15 0.02 0.00 0.08 0.00 0.00 29.97 30.57 3hj3 h ARG 246 CO 0.05 0.45 -1.37 -0.39 -1.07 0.00 0.00 179.97 177.64 3hj3 h VAL 247 N 0.70 1.38 0.00 2.04 -1.51 -0.64 0.13 116.25 118.35 3hj3 h VAL 247 Ca 0.35 -2.84 0.00 0.00 -1.23 0.00 0.00 66.70 62.98 3hj3 h VAL 247 Cb 0.44 2.98 0.00 0.00 -2.13 0.00 0.00 31.29 32.58 3hj3 h VAL 247 CO -0.13 0.84 0.12 0.25 -1.23 0.00 0.00 177.57 177.42 3hj3 h LEU 248 N 0.12 0.00 0.00 4.19 5.85 -0.77 -0.45 115.31 124.25 3hj3 h LEU 248 Ca -0.20 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.18 3hj3 h LEU 248 Cb 2.07 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.05 3hj3 h LEU 248 CO 0.24 0.00 -2.12 1.21 -0.34 0.00 0.00 178.44 177.44 3hj3 n GLU 249 N -2.73 0.53 -0.15 1.25 4.07 -0.69 -4.62 120.64 118.30 3hj3 n GLU 249 Ca -0.02 0.23 0.12 0.00 -0.06 0.00 0.00 57.16 57.43 3hj3 n GLU 249 Cb 0.17 -1.40 0.19 0.00 -0.06 0.00 0.00 31.44 30.33 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 -4.21 3.35 -4.63 4.31 4.13 0.42 -4.99 115.26 113.64 3hj3 n ASN 250 Ca -0.43 -1.99 -0.43 0.00 1.68 0.00 0.00 54.58 53.42 3hj3 n ASN 250 Cb 0.78 -0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.80 3hj3 n ASN 250 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3hj3 s GLY 251 N -1.58 1.21 -0.07 7.41 0.00 -0.18 -4.80 107.32 109.31 3hj3 s GLY 251 Ca 0.36 0.69 -0.30 0.00 0.00 0.00 0.00 44.72 45.47 3hj3 s GLY 251 CO 0.31 3.17 1.18 0.00 0.00 0.00 0.00 173.10 177.76 3hj3 s ALA 252 N 5.29 3.50 0.23 3.20 0.00 -0.35 -4.35 121.76 129.28 3hj3 s ALA 252 Ca 0.77 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 3hj3 s ALA 252 Cb -0.29 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.22 3hj3 s ALA 252 CO 0.31 -0.78 1.29 -0.47 0.00 0.00 0.00 175.76 176.12 3hj3 s TYR 253 N 2.30 3.24 0.08 0.00 6.14 -1.26 -1.91 117.35 125.95 3hj3 s TYR 253 Ca 0.55 1.30 0.01 0.00 0.64 0.00 0.00 57.07 59.56 3hj3 s TYR 253 Cb -0.24 -3.59 -0.04 0.00 0.42 0.00 0.00 41.96 38.51 3hj3 s TYR 253 CO 0.21 -1.77 -0.06 1.03 0.64 0.00 0.00 175.55 175.60 3hj3 s ARG 254 N -0.53 0.74 0.53 4.97 0.52 0.63 -4.99 118.95 120.83 3hj3 s ARG 254 Ca 0.54 -1.24 0.06 0.00 -0.52 0.00 0.00 55.73 54.57 3hj3 s ARG 254 Cb -0.37 -0.12 0.04 0.00 0.52 0.00 0.00 34.95 35.02 3hj3 s ARG 254 CO 0.41 -0.03 0.43 -1.21 0.02 0.00 0.00 175.30 174.92 3hj3 s GLU 255 N -3.58 2.28 0.00 3.54 8.01 -1.26 -2.49 118.70 125.20 3hj3 s GLU 255 Ca 0.08 -1.95 0.00 0.00 0.01 0.00 0.00 54.97 53.11 3hj3 s GLU 255 Cb 0.04 -2.16 0.00 0.00 -4.31 0.00 0.00 34.13 27.70 3hj3 s GLU 255 CO -0.05 -0.60 0.00 0.27 0.01 0.00 0.00 175.26 174.89 3hj3 n ASN 256 N -1.78 0.00 -0.41 -0.19 2.04 -1.26 -4.96 115.26 108.71 3hj3 n ASN 256 Ca 0.00 0.00 0.38 0.00 -0.44 0.00 0.00 54.58 54.53 3hj3 n ASN 256 Cb 0.64 0.00 0.61 0.00 -2.53 0.00 0.00 39.78 38.50 3hj3 n ASN 256 CO 0.00 0.00 0.00 0.08 -0.44 0.00 0.00 177.26 176.90 3hj3 h ARG 257 N 0.00 0.00 -6.49 -3.83 0.11 -2.01 -3.36 114.38 98.79 3hj3 h ARG 257 Ca 0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 3hj3 h ARG 257 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 3hj3 h ARG 257 CO 0.00 0.00 -0.10 0.95 0.10 0.00 0.00 179.97 180.92 3hj3 s THR 258 N -4.63 4.95 -2.00 0.08 -4.23 -1.26 -4.96 115.64 103.59 3hj3 s THR 258 Ca -0.04 0.33 0.08 0.00 -1.18 0.00 0.00 61.69 60.88 3hj3 s THR 258 Cb 0.20 -3.67 0.23 0.00 1.34 0.00 0.00 72.50 70.59 3hj3 s THR 258 CO 0.65 -0.21 1.04 0.61 -0.54 0.00 0.00 174.62 176.17 3hj3 n GLY 259 N -0.55 -0.67 3.43 3.99 0.00 -1.26 -4.62 105.19 105.52 3hj3 n GLY 259 Ca -0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3hj3 n GLY 259 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hj3 s ILE 260 N -2.00 4.35 0.45 -0.61 1.01 -1.26 -5.09 121.20 118.05 3hj3 s ILE 260 Ca 0.12 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 3hj3 s ILE 260 Cb 0.06 -3.10 -0.08 0.00 0.01 0.00 0.00 42.46 39.34 3hj3 s ILE 260 CO 0.09 0.24 0.90 -0.44 0.00 0.00 0.00 174.94 175.74 3hj3 s SER 261 N 1.60 6.68 0.17 3.58 0.01 -1.26 -4.81 113.70 119.68 3hj3 s SER 261 Ca 0.06 1.46 0.06 0.00 1.31 0.00 0.00 55.95 58.84 3hj3 s SER 261 Cb -0.16 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 3hj3 s SER 261 CO 0.04 -0.45 -0.12 0.42 0.41 0.00 0.00 173.24 173.54 3hj3 s THR 262 N -2.40 1.44 0.03 1.44 -4.23 -1.04 0.20 115.64 111.08 3hj3 s THR 262 Ca 0.57 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 58.97 3hj3 s THR 262 Cb -0.10 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 3hj3 s THR 262 CO 0.26 -0.67 0.03 -0.31 -0.54 0.00 0.00 174.62 173.39 3hj3 s TYR 263 N -3.14 3.13 -0.02 3.99 2.02 -0.78 -0.27 117.35 122.29 3hj3 s TYR 263 Ca 0.19 0.09 -0.29 0.00 -0.37 0.00 0.00 57.07 56.70 3hj3 s TYR 263 Cb 0.01 -1.66 0.07 0.00 -0.40 0.00 0.00 41.96 39.98 3hj3 s TYR 263 CO 0.03 0.50 0.65 0.45 -1.57 0.00 0.00 175.55 175.61 3hj3 s SER 264 N -1.87 -0.62 0.12 2.29 0.15 -0.80 -1.09 113.70 111.87 3hj3 s SER 264 Ca 0.23 0.58 -0.05 0.00 0.70 0.00 0.00 55.95 57.41 3hj3 s SER 264 Cb -0.12 0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 3hj3 s SER 264 CO 0.15 -0.65 0.13 0.27 1.20 0.00 0.00 173.24 174.33 3hj3 s ILE 265 N -1.57 0.12 -0.11 6.45 -4.36 -0.83 -1.22 121.20 119.68 3hj3 s ILE 265 Ca -0.09 -1.62 0.03 0.00 -0.26 0.00 0.00 60.65 58.70 3hj3 s ILE 265 Cb -0.00 -1.78 -0.00 0.00 1.25 0.00 0.00 42.46 41.92 3hj3 s ILE 265 CO 0.06 -0.54 -0.21 0.12 0.24 0.00 0.00 174.94 174.61 3hj3 s PHE 266 N -3.97 2.63 0.00 1.37 5.36 -1.26 -0.58 117.98 121.53 3hj3 s PHE 266 Ca 0.16 -0.92 0.00 0.00 -0.96 0.00 0.00 56.93 55.21 3hj3 s PHE 266 Cb 0.06 -1.75 0.00 0.00 -0.34 0.00 0.00 43.02 40.99 3hj3 s PHE 266 CO -0.03 -0.35 0.00 0.41 -1.46 0.00 0.00 175.22 173.79 3hj3 n GLY 267 N 3.51 0.91 4.01 13.12 0.00 -0.21 -4.97 105.19 121.55 3hj3 n GLY 267 Ca -0.19 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.76 2.27 0.05 1.61 -1.52 -0.32 -4.91 119.66 114.07 3hj3 s GLN 268 Ca 0.00 -1.75 -0.16 0.00 -1.95 0.00 0.00 55.36 51.51 3hj3 s GLN 268 Cb 0.00 -2.53 0.03 0.00 -0.22 0.00 0.00 33.01 30.29 3hj3 s GLN 268 CO 0.00 -0.85 0.36 0.00 -0.25 0.00 0.00 175.29 174.54 3hj3 s MET 269 N -4.61 0.87 -0.01 2.91 0.23 -1.26 -0.87 119.30 116.55 3hj3 s MET 269 Ca 0.57 -0.44 -0.03 0.00 -1.03 0.00 0.00 55.69 54.75 3hj3 s MET 269 Cb -0.05 0.38 -0.00 0.00 -1.53 0.00 0.00 34.83 33.63 3hj3 s MET 269 CO 0.36 -0.29 0.07 -1.64 -2.03 0.00 0.00 175.02 171.49 3hj3 s MET 270 N -2.54 0.25 0.03 3.16 -1.94 -0.39 -4.96 119.30 112.91 3hj3 s MET 270 Ca -0.05 -0.19 0.07 0.00 -1.71 0.00 0.00 55.69 53.81 3hj3 s MET 270 Cb -0.01 0.10 -0.02 0.00 2.01 0.00 0.00 34.83 36.91 3hj3 s MET 270 CO -0.03 -0.05 -0.21 1.03 -0.01 0.00 0.00 175.02 175.75 3hj3 s ARG 271 N -0.69 1.48 -0.01 2.03 0.52 -1.26 -1.20 118.95 119.82 3hj3 s ARG 271 Ca -0.08 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.25 3hj3 s ARG 271 Cb -0.05 -1.56 0.01 0.00 0.52 0.00 0.00 34.95 33.88 3hj3 s ARG 271 CO 0.00 0.41 -0.01 -0.06 0.02 0.00 0.00 175.30 175.66 3hj3 s PHE 272 N -0.71 0.22 0.22 -0.53 0.08 0.40 -4.81 117.98 112.85 3hj3 s PHE 272 Ca 0.08 -0.01 -0.26 0.00 0.12 0.00 0.00 56.93 56.86 3hj3 s PHE 272 Cb -0.09 -0.24 -0.09 0.00 -0.57 0.00 0.00 43.02 42.03 3hj3 s PHE 272 CO 0.01 -0.06 0.85 0.34 -0.10 0.00 0.00 175.22 176.27 3hj3 s ASP 273 N 0.46 7.43 0.00 1.36 -1.08 -1.26 0.28 116.67 123.86 3hj3 s ASP 273 Ca -0.04 1.76 0.00 0.00 -0.52 0.00 0.00 52.55 53.74 3hj3 s ASP 273 Cb -0.07 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 3hj3 s ASP 273 CO -0.01 0.13 0.49 0.23 0.52 0.00 0.00 175.17 176.52 3hj3 n MET 274 N 1.28 -0.92 -0.05 4.34 2.81 0.04 -4.51 117.12 120.11 3hj3 n MET 274 Ca -0.03 -0.49 -0.13 0.00 -1.81 0.00 0.00 57.70 55.24 3hj3 n MET 274 Cb 0.49 -0.98 -0.07 0.00 -0.71 0.00 0.00 33.22 31.94 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 0.34 0.00 0.03 3.08 -1.64 -3.36 114.38 112.83 3hj3 h ARG 275 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3hj3 h ARG 275 Cb 0.02 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3hj3 h ARG 275 CO 0.00 0.74 -1.71 0.39 -1.07 0.00 0.00 179.97 178.33 3hj3 n GLU 276 N -4.56 0.50 -3.83 0.04 -0.58 -1.26 -4.99 120.64 105.96 3hj3 n GLU 276 Ca -0.06 -0.14 -0.07 0.00 -0.42 0.00 0.00 57.16 56.47 3hj3 n GLU 276 Cb 0.37 -1.53 0.02 0.00 -0.57 0.00 0.00 31.44 29.73 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 -4.21 0.00 -0.17 1.62 1.04 -1.26 -3.74 113.70 106.98 3hj3 s SER 277 Ca -0.04 -0.97 -0.03 0.00 0.48 0.00 0.00 55.95 55.39 3hj3 s SER 277 Cb 0.14 0.72 -0.02 0.00 0.10 0.00 0.00 66.02 66.97 3hj3 s SER 277 CO 0.89 -1.43 -0.06 0.12 0.98 0.00 0.00 173.24 173.74 3hj3 s PHE 278 N -2.28 2.95 -1.59 5.02 5.36 -0.48 -4.14 117.98 122.82 3hj3 s PHE 278 Ca 0.18 -0.56 -0.11 0.00 -0.96 0.00 0.00 56.93 55.48 3hj3 s PHE 278 Cb -0.04 -1.98 -0.06 0.00 -0.34 0.00 0.00 43.02 40.60 3hj3 s PHE 278 CO 0.09 -0.23 2.82 -0.35 -1.46 0.00 0.00 175.22 176.10 3hj3 n PRO 279 N 3.91 3.59 -3.39 10.12 -0.05 -1.26 -3.91 135.00 144.01 3hj3 n PRO 279 Ca -0.18 -2.31 -0.39 0.00 -0.05 0.00 0.00 63.50 60.58 3hj3 n PRO 279 Cb 0.52 -2.88 -0.08 0.00 -0.05 0.00 0.00 33.50 31.01 3hj3 n PRO 279 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 3hj3 s LEU 280 N 0.45 4.10 0.34 1.53 2.96 -1.26 -4.37 118.68 122.42 3hj3 s LEU 280 Ca 0.65 0.41 -0.28 0.00 -0.22 0.00 0.00 54.13 54.69 3hj3 s LEU 280 Cb 0.17 -2.47 -0.12 0.00 0.50 0.00 0.00 46.19 44.27 3hj3 s LEU 280 CO -0.07 -0.13 1.30 0.18 -1.32 0.00 0.00 176.35 176.32 3hj3 n LEU 281 N 4.87 3.57 -0.00 -0.68 4.77 -1.26 -4.69 117.00 123.58 3hj3 n LEU 281 Ca -0.08 1.21 0.10 0.00 -0.03 0.00 0.00 56.01 57.20 3hj3 n LEU 281 Cb 0.51 -1.49 -0.14 0.00 -2.33 0.00 0.00 43.42 39.97 3hj3 n LEU 281 CO 0.39 -0.46 -0.36 0.35 -1.33 0.00 0.00 177.39 175.98 3hj3 n THR 282 N 0.42 0.00 1.40 -5.08 -2.24 -1.26 -4.29 114.28 103.23 3hj3 n THR 282 Ca 0.05 -0.22 0.15 0.00 -2.27 0.00 0.00 64.05 61.76 3hj3 n THR 282 Cb 0.36 0.57 0.75 0.00 -2.10 0.00 0.00 70.33 69.91 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 -1.82 0.01 -3.66 4.28 -2.24 -1.26 -0.14 114.28 109.45 3hj3 n THR 283 Ca 0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 3hj3 n THR 283 Cb 0.43 -0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.59 0.94 -0.59 -0.78 -2.85 -1.26 -4.56 119.74 108.05 3hj3 s LYS 284 Ca 0.28 -0.40 -0.28 0.00 -1.00 0.00 0.00 55.97 54.57 3hj3 s LYS 284 Cb 0.20 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.41 3hj3 s LYS 284 CO 0.46 -0.33 1.38 0.21 0.10 0.00 0.00 175.35 177.17 3hj3 s LYS 285 N -2.64 3.29 0.10 1.78 2.20 -1.14 -4.61 119.74 118.74 3hj3 s LYS 285 Ca -0.04 0.34 -0.25 0.00 -0.36 0.00 0.00 55.97 55.66 3hj3 s LYS 285 Cb -0.00 -4.12 -0.07 0.00 -1.51 0.00 0.00 37.83 32.12 3hj3 s LYS 285 CO -0.04 -1.96 0.77 0.08 -0.36 0.00 0.00 175.35 173.85 3hj3 s VAL 286 N 5.96 4.55 -1.32 4.02 1.01 -1.26 -4.77 120.40 128.60 3hj3 s VAL 286 Ca 0.49 1.66 -0.17 0.00 0.00 0.00 0.00 61.98 63.97 3hj3 s VAL 286 Cb -0.10 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.18 3hj3 s VAL 286 CO 0.24 0.44 2.01 0.00 0.00 0.00 0.00 175.10 177.79 3hj3 n ALA 287 N 2.19 4.39 0.27 5.51 0.00 -1.26 -4.76 120.51 126.85 3hj3 n ALA 287 Ca -0.04 -3.76 0.13 0.00 0.00 0.00 0.00 53.44 49.77 3hj3 n ALA 287 Cb 0.49 -3.57 0.76 0.00 0.00 0.00 0.00 19.45 17.14 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 4.73 0.61 -0.24 0.00 6.09 -1.99 -2.56 117.51 124.16 3hj3 h ILE 288 Ca 0.49 -0.38 -0.04 0.00 -1.37 0.00 0.00 64.86 63.56 3hj3 h ILE 288 Cb 0.74 1.24 -0.01 0.00 0.47 0.00 0.00 36.82 39.26 3hj3 h ILE 288 CO 1.70 0.09 -0.02 -0.09 -3.07 0.00 0.00 178.15 176.77 3hj3 h ARG 289 N 0.00 0.43 -0.70 2.19 2.43 -2.00 -1.29 114.38 115.44 3hj3 h ARG 289 Ca -0.00 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3hj3 h ARG 289 Cb 0.23 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3hj3 h ARG 289 CO 0.01 0.63 0.34 0.77 -1.51 0.00 0.00 179.97 180.21 3hj3 h SER 290 N 0.20 0.92 -0.89 -3.80 0.02 -1.87 -1.55 113.55 106.57 3hj3 h SER 290 Ca 0.07 -0.13 0.09 0.00 -0.84 0.00 0.00 61.79 60.98 3hj3 h SER 290 Cb 0.44 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 3hj3 h SER 290 CO 0.02 0.79 0.54 0.40 -1.14 0.00 0.00 176.83 177.44 3hj3 h ILE 291 N 0.98 0.95 -0.35 3.27 2.04 -1.36 -0.85 117.51 122.19 3hj3 h ILE 291 Ca 0.24 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 3hj3 h ILE 291 Cb 0.11 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 3hj3 h ILE 291 CO -0.03 0.17 -0.12 0.15 0.00 0.00 0.00 178.15 178.32 3hj3 h PHE 292 N 0.91 0.79 -0.49 1.37 3.57 -0.65 -2.35 116.94 120.10 3hj3 h PHE 292 Ca 0.42 -0.18 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 3hj3 h PHE 292 Cb 0.34 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3hj3 h PHE 292 CO -0.04 0.87 -0.10 0.93 -2.23 0.00 0.00 178.31 177.75 3hj3 h GLU 293 N 0.48 0.93 0.10 1.11 4.39 -0.33 -0.55 114.58 120.72 3hj3 h GLU 293 Ca 0.08 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 3hj3 h GLU 293 Cb 0.64 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3hj3 h GLU 293 CO 0.04 1.00 -0.05 1.49 -1.16 0.00 0.00 179.01 180.34 3hj3 h GLU 294 N 0.78 -0.13 -1.00 2.33 4.81 -1.24 0.84 114.58 120.97 3hj3 h GLU 294 Ca 0.13 0.01 0.32 0.00 -0.13 0.00 0.00 59.36 59.69 3hj3 h GLU 294 Cb 0.65 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 29.91 3hj3 h GLU 294 CO 0.04 0.09 0.57 1.25 -0.73 0.00 0.00 179.01 180.23 3hj3 h LEU 295 N -0.33 0.52 0.00 1.64 6.46 -1.27 0.17 115.31 122.50 3hj3 h LEU 295 Ca -0.01 0.19 -0.22 0.00 -0.12 0.00 0.00 57.88 57.72 3hj3 h LEU 295 Cb 0.27 0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 3hj3 h LEU 295 CO 0.02 -0.14 -1.66 0.00 -0.62 0.00 0.00 178.44 176.04 3hj3 n ILE 296 N -5.05 1.28 -0.41 4.05 0.13 -0.23 -1.86 119.36 117.27 3hj3 n ILE 296 Ca 0.32 -0.74 -0.10 0.00 -1.10 0.00 0.00 62.75 61.13 3hj3 n ILE 296 Cb 0.99 -0.75 -0.09 0.00 -0.84 0.00 0.00 39.64 38.95 3hj3 n ILE 296 CO 0.00 0.00 0.00 1.87 2.80 0.00 0.00 176.55 181.22 3hj3 n TRP 297 N -2.88 -0.40 -0.15 9.51 -0.00 0.28 -3.38 117.44 120.42 3hj3 n TRP 297 Ca -0.15 1.23 -0.09 0.00 -0.00 0.00 0.00 57.50 58.50 3hj3 n TRP 297 Cb 0.93 -0.60 0.00 0.00 -0.00 0.00 0.00 31.31 31.64 3hj3 n TRP 297 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 3hj3 h PHE 298 N 0.00 0.68 -0.70 5.87 0.04 -0.27 -2.70 116.94 119.87 3hj3 h PHE 298 Ca 0.17 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3hj3 h PHE 298 Cb 0.42 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 3hj3 h PHE 298 CO -1.01 0.57 0.42 0.82 -0.60 0.00 0.00 178.31 178.52 3hj3 h ILE 299 N 0.59 1.19 0.00 -0.55 2.04 -1.45 0.87 117.51 120.20 3hj3 h ILE 299 Ca 0.15 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3hj3 h ILE 299 Cb 0.17 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3hj3 h ILE 299 CO -0.01 0.20 0.00 0.29 0.00 0.00 0.00 178.15 178.63 3hj3 n LYS 300 N -4.40 0.54 -1.12 2.37 4.76 -1.07 -4.83 118.16 114.42 3hj3 n LYS 300 Ca 0.07 0.03 -0.04 0.00 -2.87 0.00 0.00 58.31 55.50 3hj3 n LYS 300 Cb 0.07 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.74 3hj3 n LYS 300 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hj3 n GLY 301 N 0.48 0.69 3.75 0.72 0.00 0.30 -5.00 105.19 106.13 3hj3 n GLY 301 Ca 0.14 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.71 7.50 0.00 1.61 -1.08 -1.04 -3.27 116.67 117.68 3hj3 s ASP 302 Ca 0.00 1.78 0.00 0.00 -0.52 0.00 0.00 52.55 53.81 3hj3 s ASP 302 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 3hj3 s ASP 302 CO 0.00 0.07 0.65 0.35 0.52 0.00 0.00 175.17 176.75 3hj3 n THR 303 N 2.14 0.33 -2.75 1.71 -2.24 -1.26 -4.63 114.28 107.58 3hj3 n THR 303 Ca -0.01 -0.64 -0.43 0.00 -2.27 0.00 0.00 64.05 60.70 3hj3 n THR 303 Cb 0.48 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.33 6.46 0.14 3.42 3.04 -1.26 -3.26 114.94 123.14 3hj3 s ASN 304 Ca 0.00 0.03 0.11 0.00 0.04 0.00 0.00 52.86 53.04 3hj3 s ASN 304 Cb 0.00 -2.48 0.58 0.00 -1.54 0.00 0.00 41.25 37.81 3hj3 s ASN 304 CO 0.00 -1.22 1.35 0.61 -3.04 0.00 0.00 177.10 174.81 3hj3 n GLY 305 N 5.00 -0.76 0.20 1.21 0.00 -0.33 -2.43 105.19 108.08 3hj3 n GLY 305 Ca 0.06 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.24 3hj3 n GLY 305 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hj3 h ASN 306 N 0.00 0.00 0.77 1.61 4.21 -1.90 -2.81 115.58 117.46 3hj3 h ASN 306 Ca 0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 3hj3 h ASN 306 Cb 0.06 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3hj3 h ASN 306 CO 0.00 0.26 -0.16 0.45 -1.29 0.00 0.00 177.43 176.69 3hj3 h HIS 307 N 0.00 0.00 0.01 1.19 3.86 -1.89 0.83 115.15 119.15 3hj3 h HIS 307 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 3hj3 h HIS 307 Cb 0.97 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.43 3hj3 h HIS 307 CO 0.00 0.16 -0.70 -0.07 0.86 0.00 0.00 177.93 178.18 3hj3 h LEU 308 N 0.00 0.03 -0.60 2.43 4.07 -1.69 -3.17 115.31 116.37 3hj3 h LEU 308 Ca -0.00 -0.76 0.09 0.00 0.08 0.00 0.00 57.88 57.30 3hj3 h LEU 308 Cb 0.59 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.24 3hj3 h LEU 308 CO 0.02 1.28 0.22 0.40 -1.08 0.00 0.00 178.44 179.28 3hj3 h ILE 309 N -0.95 0.76 -0.93 1.22 2.04 -1.33 -0.58 117.51 117.74 3hj3 h ILE 309 Ca -0.19 -0.14 0.18 0.00 1.00 0.00 0.00 64.86 65.71 3hj3 h ILE 309 Cb 1.20 0.33 -0.10 0.00 -0.74 0.00 0.00 36.82 37.51 3hj3 h ILE 309 CO -0.09 0.07 0.52 -0.33 0.00 0.00 0.00 178.15 178.31 3hj3 h GLU 310 N 0.40 0.65 -0.36 2.37 5.08 0.57 -0.10 114.58 123.18 3hj3 h GLU 310 Ca 0.31 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3hj3 h GLU 310 Cb 0.38 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hj3 h GLU 310 CO -0.31 0.43 0.00 1.63 -1.00 0.00 0.00 179.01 179.76 3hj3 n LYS 311 N -4.84 1.55 -3.43 2.33 5.02 -0.36 -4.91 118.16 113.52 3hj3 n LYS 311 Ca 0.21 -0.68 -0.18 0.00 -2.02 0.00 0.00 58.31 55.64 3hj3 n LYS 311 Cb 0.52 -1.28 0.08 0.00 -0.02 0.00 0.00 35.03 34.34 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 0.06 -6.75 -5.11 1.97 5.02 -0.05 -5.02 118.16 108.28 3hj3 n LYS 312 Ca 0.06 0.81 -0.32 0.00 -2.02 0.00 0.00 58.31 56.84 3hj3 n LYS 312 Cb 0.23 -5.74 -0.17 0.00 -0.02 0.00 0.00 35.03 29.33 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 -3.34 2.12 -0.42 -0.18 1.01 -0.41 -5.00 120.40 114.18 3hj3 s VAL 313 Ca 0.16 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.19 3hj3 s VAL 313 Cb -0.07 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.51 3hj3 s VAL 313 CO 0.70 0.56 0.54 -1.22 0.00 0.00 0.00 175.10 175.67 3hj3 n TYR 314 N 3.60 0.00 -0.32 5.22 4.01 -1.26 -3.20 117.16 125.22 3hj3 n TYR 314 Ca -0.19 0.00 0.29 0.00 -0.16 0.00 0.00 57.90 57.84 3hj3 n TYR 314 Cb 0.53 0.00 0.64 0.00 -0.31 0.00 0.00 39.34 40.19 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 0.62 0.46 -0.33 -0.72 3.07 -1.97 -0.12 117.51 118.52 3hj3 h ILE 315 Ca 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.35 3hj3 h ILE 315 Cb 0.15 0.26 0.00 0.00 -0.27 0.00 0.00 36.82 36.96 3hj3 h ILE 315 CO 0.00 0.03 0.00 0.79 -1.05 0.00 0.00 178.15 177.92 3hj3 n TRP 316 N -4.40 0.43 0.37 0.16 7.02 -1.26 -4.51 117.44 115.24 3hj3 n TRP 316 Ca 0.25 -0.26 -0.16 0.00 -1.02 0.00 0.00 57.50 56.31 3hj3 n TRP 316 Cb 1.06 -0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.87 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 3.70 -0.80 -0.92 -0.99 0.02 -1.35 -3.06 113.55 110.15 3hj3 h SER 317 Ca 0.00 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.13 3hj3 h SER 317 Cb 0.87 0.21 -0.17 0.00 0.14 0.00 0.00 62.40 63.44 3hj3 h SER 317 CO 0.00 -0.46 -0.25 0.61 -1.14 0.00 0.00 176.83 175.59 3hj3 n GLY 318 N -0.93 -1.61 0.00 -3.77 0.00 -1.26 0.12 105.19 97.74 3hj3 n GLY 318 Ca -0.13 0.99 0.08 0.00 0.00 0.00 0.00 46.02 46.97 3hj3 n GLY 318 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hj3 n ASN 319 N -5.48 0.00 0.00 1.61 4.13 -1.16 -2.60 115.26 111.76 3hj3 n ASN 319 Ca 0.14 -1.37 0.00 0.00 1.68 0.00 0.00 54.58 55.03 3hj3 n ASN 319 Cb 0.44 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 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 0.66 0.64 3.69 7.41 0.00 0.33 -4.78 105.19 113.15 3hj3 n GLY 320 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3hj3 n GLY 320 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hj3 n SER 321 N -0.75 1.31 -0.24 1.61 3.41 -0.59 -4.23 113.62 114.13 3hj3 n SER 321 Ca 0.00 0.69 0.04 0.00 -0.26 0.00 0.00 58.87 59.34 3hj3 n SER 321 Cb 0.00 -1.51 0.14 0.00 -0.26 0.00 0.00 64.21 62.59 3hj3 n SER 321 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3hj3 h LYS 322 N -0.29 0.12 -0.03 4.33 1.63 -1.92 -0.70 116.57 119.70 3hj3 h LYS 322 Ca -0.48 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.31 3hj3 h LYS 322 Cb 1.32 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.92 3hj3 h LYS 322 CO 0.49 0.08 0.01 0.93 -3.45 0.00 0.00 179.45 177.51 3hj3 h GLU 323 N 0.13 0.05 -0.17 1.90 3.07 -1.95 -0.12 114.58 117.49 3hj3 h GLU 323 Ca 0.39 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 3hj3 h GLU 323 Cb 0.67 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 3hj3 h GLU 323 CO -0.61 0.18 0.08 -0.92 -1.40 0.00 0.00 179.01 176.33 3hj3 h TYR 324 N -0.09 0.24 -0.53 4.33 3.20 -1.79 -2.76 116.97 119.57 3hj3 h TYR 324 Ca 0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3hj3 h TYR 324 Cb 0.14 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3hj3 h TYR 324 CO -0.03 0.28 0.29 -0.07 -1.64 0.00 0.00 178.16 177.00 3hj3 h LEU 325 N 0.14 0.65 -1.46 2.82 4.07 -1.04 -1.93 115.31 118.55 3hj3 h LEU 325 Ca 0.06 -0.04 -0.05 0.00 0.08 0.00 0.00 57.88 57.92 3hj3 h LEU 325 Cb 0.13 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 3hj3 h LEU 325 CO -0.01 0.52 -0.26 -0.08 -1.08 0.00 0.00 178.44 177.54 3hj3 h GLU 326 N 0.74 0.00 0.00 1.13 4.57 -0.78 -0.82 114.58 119.42 3hj3 h GLU 326 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3hj3 h GLU 326 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3hj3 h GLU 326 CO -0.03 0.26 -0.97 -2.13 -1.18 0.00 0.00 179.01 174.96 3hj3 n ARG 327 N -3.79 0.54 -0.19 1.92 0.63 -0.73 -3.66 116.66 111.38 3hj3 n ARG 327 Ca -0.01 0.11 0.05 0.00 -0.92 0.00 0.00 57.85 57.08 3hj3 n ARG 327 Cb 0.35 -1.79 0.15 0.00 0.45 0.00 0.00 32.46 31.63 3hj3 n ARG 327 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3hj3 n ILE 328 N -2.54 1.10 -0.49 5.15 -5.35 -1.18 -4.96 119.36 111.09 3hj3 n ILE 328 Ca 0.01 -1.07 0.00 0.00 -0.27 0.00 0.00 62.75 61.42 3hj3 n ILE 328 Cb 0.53 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 0.37 1.03 0.92 3.28 0.00 -1.23 -4.95 105.19 104.61 3hj3 n GLY 329 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 3.08 -0.09 0.99 4.77 -0.34 -4.77 117.00 120.63 3hj3 n LEU 330 Ca 0.00 -4.01 0.23 0.00 -0.03 0.00 0.00 56.01 52.21 3hj3 n LEU 330 Cb 0.07 -0.47 0.69 0.00 -2.33 0.00 0.00 43.42 41.38 3hj3 n LEU 330 CO 0.00 1.51 1.22 1.23 -1.33 0.00 0.00 177.39 180.02 3hj3 h GLY 331 N 1.24 0.07 2.00 -0.72 0.00 -1.71 -0.83 103.07 103.12 3hj3 h GLY 331 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3hj3 h GLY 331 CO 0.15 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.30 3hj3 n HIS 332 N -4.34 0.22 -3.21 5.60 1.44 -1.26 -4.79 115.22 108.87 3hj3 n HIS 332 Ca 0.14 0.09 -0.37 0.00 -2.01 0.00 0.00 57.72 55.58 3hj3 n HIS 332 Cb 0.75 -0.65 -0.06 0.00 0.12 0.00 0.00 29.99 30.15 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 -3.11 4.19 0.65 -1.40 6.06 -0.32 -5.05 118.95 119.97 3hj3 s ARG 333 Ca 0.04 0.75 -0.16 0.00 -2.50 0.00 0.00 55.73 53.86 3hj3 s ARG 333 Cb 0.07 -3.03 -0.01 0.00 0.06 0.00 0.00 34.95 32.05 3hj3 s ARG 333 CO 0.23 0.50 1.14 -2.00 -2.50 0.00 0.00 175.30 172.68 3hj3 s GLU 334 N -1.66 2.77 0.14 5.12 2.12 -1.26 -4.94 118.70 121.00 3hj3 s GLU 334 Ca 0.37 1.55 -0.11 0.00 0.36 0.00 0.00 54.97 57.14 3hj3 s GLU 334 Cb -0.18 -1.93 0.14 0.00 0.26 0.00 0.00 34.13 32.42 3hj3 s GLU 334 CO 0.20 -1.30 0.96 -1.91 -0.54 0.00 0.00 175.26 172.67 3hj3 n GLU 335 N -2.20 -0.15 -0.82 4.30 4.07 -1.26 -1.11 120.64 123.47 3hj3 n GLU 335 Ca 0.12 0.95 -0.04 0.00 -0.06 0.00 0.00 57.16 58.13 3hj3 n GLU 335 Cb 0.51 -1.41 0.20 0.00 -0.06 0.00 0.00 31.44 30.68 3hj3 n GLU 335 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3hj3 n ASN 336 N -4.90 2.43 -4.46 4.31 4.13 -1.26 -4.26 115.26 111.25 3hj3 n ASN 336 Ca 0.06 -3.82 -0.43 0.00 1.68 0.00 0.00 54.58 52.07 3hj3 n ASN 336 Cb 0.24 -0.62 -0.03 0.00 -1.54 0.00 0.00 39.78 37.84 3hj3 n ASN 336 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hj3 s ASP 337 N -2.69 6.38 0.00 6.41 3.68 -0.27 -1.19 116.67 129.00 3hj3 s ASP 337 Ca 0.44 -1.46 0.22 0.00 2.13 0.00 0.00 52.55 53.88 3hj3 s ASP 337 Cb 0.40 -2.42 1.04 0.00 -1.45 0.00 0.00 42.92 40.49 3hj3 s ASP 337 CO -0.02 -1.29 1.71 0.18 0.13 0.00 0.00 175.17 175.89 3hj3 n LEU 338 N 7.30 0.00 0.00 -1.34 4.77 -1.20 -4.80 117.00 121.72 3hj3 n LEU 338 Ca 0.10 0.38 0.02 0.00 -0.03 0.00 0.00 56.01 56.48 3hj3 n LEU 338 Cb 0.47 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3hj3 n LEU 338 CO 0.59 -0.10 -0.02 0.61 -1.33 0.00 0.00 177.39 177.14 3hj3 n GLY 339 N 0.67 -2.04 2.67 -0.72 0.00 -1.26 -1.38 105.19 103.12 3hj3 n GLY 339 Ca 0.08 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.90 2.98 0.00 1.61 -0.04 -1.26 -4.83 135.00 132.55 3hj3 n PRO 340 Ca 0.00 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 3hj3 n PRO 340 Cb 0.05 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.30 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 4.87 0.00 -0.18 0.52 -5.35 -1.26 -4.48 119.36 113.48 3hj3 n ILE 341 Ca 0.56 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.98 3hj3 n ILE 341 Cb 0.37 -0.91 0.00 0.00 -1.74 0.00 0.00 39.64 37.36 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 -0.90 0.00 4.28 0.05 -1.91 -1.94 116.97 116.56 3hj3 h TYR 342 Ca 0.00 0.07 -0.21 0.00 0.05 0.00 0.00 58.73 58.64 3hj3 h TYR 342 Cb 0.00 0.47 -0.03 0.00 1.01 0.00 0.00 36.73 38.18 3hj3 h TYR 342 CO 0.00 -0.38 -1.25 0.78 -1.05 0.00 0.00 178.16 176.26 3hj3 h GLY 343 N -0.18 0.00 0.37 3.88 0.00 -1.83 0.17 103.07 105.47 3hj3 h GLY 343 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.64 3hj3 h GLY 343 CO -0.64 0.00 0.19 -2.75 0.00 0.00 0.00 176.54 173.34 3hj3 h PHE 344 N 0.00 0.32 -0.28 5.60 3.04 -1.36 0.56 116.94 124.82 3hj3 h PHE 344 Ca -0.13 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.77 3hj3 h PHE 344 Cb 1.74 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 40.18 3hj3 h PHE 344 CO 0.00 0.06 -0.15 1.96 -2.02 0.00 0.00 178.31 178.16 3hj3 h GLN 345 N 0.35 0.49 -0.33 1.11 1.08 -0.51 0.54 115.11 117.85 3hj3 h GLN 345 Ca 0.29 -0.15 -0.13 0.00 -1.45 0.00 0.00 58.65 57.21 3hj3 h GLN 345 Cb 0.37 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 3hj3 h GLN 345 CO -0.32 0.63 -0.32 -1.49 -0.95 0.00 0.00 178.83 176.38 3hj3 h TRP 346 N 0.45 0.84 0.00 2.96 4.06 0.60 -2.65 115.95 122.22 3hj3 h TRP 346 Ca 0.08 -0.22 0.00 0.00 2.06 0.00 0.00 58.89 60.81 3hj3 h TRP 346 Cb 0.53 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.50 3hj3 h TRP 346 CO 0.02 0.95 -1.52 0.54 -3.56 0.00 0.00 178.44 174.87 3hj3 n ARG 347 N -4.07 0.56 -2.72 0.49 5.12 0.18 -1.80 116.66 114.42 3hj3 n ARG 347 Ca -0.01 -0.11 -0.06 0.00 -1.93 0.00 0.00 57.85 55.74 3hj3 n ARG 347 Cb 0.49 -1.29 0.04 0.00 -1.16 0.00 0.00 32.46 30.54 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 -1.91 0.89 -1.59 -1.55 8.25 0.19 -3.48 115.22 116.02 3hj3 n HIS 348 Ca -0.02 -2.49 -0.50 0.00 -0.26 0.00 0.00 57.72 54.45 3hj3 n HIS 348 Cb 0.33 -0.16 -0.05 0.00 1.12 0.00 0.00 29.99 31.23 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 1.50 -1.45 4.41 9.36 -0.48 -0.49 117.16 129.68 3hj3 n TYR 349 Ca 0.07 0.62 -0.16 0.00 3.32 0.00 0.00 57.90 61.75 3hj3 n TYR 349 Cb 0.82 -2.33 -0.07 0.00 -0.63 0.00 0.00 39.34 37.13 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 2.35 -5.07 -4.82 2.98 3.02 -1.26 0.25 115.26 112.71 3hj3 n ASN 350 Ca 0.17 0.39 -0.32 0.00 -0.03 0.00 0.00 54.58 54.78 3hj3 n ASN 350 Cb 0.22 -3.95 0.01 0.00 -0.61 0.00 0.00 39.78 35.46 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 -2.76 2.00 -0.53 7.41 0.00 0.35 -4.75 107.32 109.05 3hj3 s GLY 351 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 44.72 44.71 3hj3 s GLY 351 CO 0.00 0.56 1.02 1.85 0.00 0.00 0.00 173.10 176.52 3hj3 s GLU 352 N -4.32 3.46 0.21 2.90 2.12 -1.26 -4.98 118.70 116.83 3hj3 s GLU 352 Ca 0.61 0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.68 3hj3 s GLU 352 Cb -0.14 -4.00 -0.08 0.00 0.26 0.00 0.00 34.13 30.17 3hj3 s GLU 352 CO 0.40 -1.46 0.99 -0.47 -0.54 0.00 0.00 175.26 174.18 3hj3 s TYR 353 N 4.19 3.83 0.00 5.30 5.04 -1.26 -4.97 117.35 129.48 3hj3 s TYR 353 Ca 0.37 1.82 0.00 0.00 -2.44 0.00 0.00 57.07 56.81 3hj3 s TYR 353 Cb -0.10 -3.09 0.00 0.00 0.35 0.00 0.00 41.96 39.12 3hj3 s TYR 353 CO 0.24 0.09 0.00 1.63 -1.34 0.00 0.00 175.55 176.17 3hj3 n LYS 354 N 1.81 0.00 -4.46 4.97 5.02 -1.26 -5.09 118.16 119.15 3hj3 n LYS 354 Ca -0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 3hj3 n LYS 354 Cb 0.47 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.39 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 0.00 0.75 -0.83 -0.18 -4.23 -1.26 -5.01 115.64 104.88 3hj3 s THR 355 Ca 0.00 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 3hj3 s THR 355 Cb 0.00 -2.52 0.12 0.00 1.34 0.00 0.00 72.50 71.44 3hj3 s THR 355 CO 0.00 0.00 1.39 1.15 -0.54 0.00 0.00 174.62 176.62 3hj3 n MET 356 N -0.78 0.05 0.07 3.99 0.00 -1.26 -3.19 117.12 116.00 3hj3 n MET 356 Ca -0.04 0.39 0.10 0.00 0.00 0.00 0.00 57.70 58.15 3hj3 n MET 356 Cb 0.66 -1.61 -0.04 0.00 0.00 0.00 0.00 33.22 32.22 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 -1.70 0.81 -2.35 3.17 8.25 -1.26 -4.87 115.22 117.27 3hj3 n HIS 357 Ca 0.02 0.24 -0.39 0.00 -0.26 0.00 0.00 57.72 57.32 3hj3 n HIS 357 Cb 0.12 -0.91 -0.03 0.00 1.12 0.00 0.00 29.99 30.29 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 -5.28 6.90 -0.70 0.41 1.11 -1.19 -4.96 116.67 112.95 3hj3 s ASP 358 Ca -0.02 2.36 -0.23 0.00 0.18 0.00 0.00 52.55 54.84 3hj3 s ASP 358 Cb 0.10 -2.62 0.07 0.00 1.07 0.00 0.00 42.92 41.54 3hj3 s ASP 358 CO 0.81 -0.41 1.02 -0.62 1.18 0.00 0.00 175.17 177.15 3hj3 s ASP 359 N -0.94 6.22 -0.01 0.27 2.15 -1.26 -4.90 116.67 118.20 3hj3 s ASP 359 Ca 0.50 -1.04 0.06 0.00 0.43 0.00 0.00 52.55 52.50 3hj3 s ASP 359 Cb -0.32 -2.43 0.17 0.00 -0.30 0.00 0.00 42.92 40.04 3hj3 s ASP 359 CO 0.41 -1.45 1.10 -1.22 -0.17 0.00 0.00 175.17 173.85 3hj3 n TYR 360 N 7.79 0.29 -1.65 -5.34 4.01 -1.26 -4.93 117.16 116.07 3hj3 n TYR 360 Ca -0.00 -0.14 -0.46 0.00 -0.16 0.00 0.00 57.90 57.14 3hj3 n TYR 360 Cb 0.46 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.07 0.62 0.00 -0.72 5.66 -1.26 -0.47 114.28 118.19 3hj3 n THR 361 Ca 0.07 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 3hj3 n THR 361 Cb 0.20 -1.37 0.00 0.00 -1.55 0.00 0.00 70.33 67.61 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 2.49 2.80 3.93 1.09 0.00 -1.26 -5.03 105.19 109.21 3hj3 n GLY 362 Ca 0.14 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.90 3.03 0.29 1.61 0.11 0.38 -4.97 120.40 118.96 3hj3 s VAL 363 Ca 0.00 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 3hj3 s VAL 363 Cb 0.00 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 3hj3 s VAL 363 CO 0.00 -0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 3hj3 n GLY 364 N -2.66 -1.90 3.68 6.54 0.00 -1.26 -4.46 105.19 105.12 3hj3 n GLY 364 Ca 0.06 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.16 5.09 -0.87 1.61 1.01 0.14 -4.70 120.40 120.52 3hj3 s VAL 365 Ca 0.00 1.07 -0.22 0.00 0.00 0.00 0.00 61.98 62.83 3hj3 s VAL 365 Cb 0.00 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.57 3hj3 s VAL 365 CO 0.00 0.19 1.23 -0.62 0.00 0.00 0.00 175.10 175.90 3hj3 s ASP 366 N 1.03 6.41 0.20 3.32 3.68 -1.23 -1.38 116.67 128.70 3hj3 s ASP 366 Ca 0.27 -1.34 -0.03 0.00 2.13 0.00 0.00 52.55 53.58 3hj3 s ASP 366 Cb -0.16 -2.49 0.13 0.00 -1.45 0.00 0.00 42.92 38.95 3hj3 s ASP 366 CO 0.11 -1.44 1.52 1.56 0.13 0.00 0.00 175.17 177.05 3hj3 h GLN 367 N 9.53 0.57 -0.36 4.34 4.20 -1.60 -2.63 115.11 129.15 3hj3 h GLN 367 Ca 0.00 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 3hj3 h GLN 367 Cb 1.03 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.83 3hj3 h GLN 367 CO 1.26 0.95 0.19 1.25 -0.67 0.00 0.00 178.83 181.81 3hj3 h LEU 368 N 0.44 0.46 -0.03 1.46 5.85 -1.81 0.49 115.31 122.17 3hj3 h LEU 368 Ca 0.02 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3hj3 h LEU 368 Cb 1.05 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 3hj3 h LEU 368 CO 0.10 0.44 0.02 0.00 -0.34 0.00 0.00 178.44 178.65 3hj3 h ALA 369 N 1.05 0.04 -0.70 1.25 0.00 -1.85 -0.75 119.26 118.30 3hj3 h ALA 369 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hj3 h ALA 369 Cb 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hj3 h ALA 369 CO -0.02 -0.41 0.24 0.87 0.00 0.00 0.00 179.25 179.92 3hj3 h LYS 370 N -0.04 1.08 -0.10 0.00 1.57 -1.14 0.68 116.57 118.62 3hj3 h LYS 370 Ca 0.01 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3hj3 h LYS 370 Cb 0.09 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 3hj3 h LYS 370 CO -0.00 0.92 -0.19 1.25 -0.57 0.00 0.00 179.45 180.86 3hj3 h LEU 371 N 1.03 -0.59 -0.63 2.94 7.12 0.21 0.21 115.31 125.60 3hj3 h LEU 371 Ca 0.23 0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.33 3hj3 h LEU 371 Cb 0.28 0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.64 3hj3 h LEU 371 CO -0.01 -0.24 0.35 0.40 -0.13 0.00 0.00 178.44 178.81 3hj3 h ILE 372 N -0.26 1.20 -0.76 4.05 2.04 -0.73 -0.97 117.51 122.07 3hj3 h ILE 372 Ca 0.09 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3hj3 h ILE 372 Cb 0.39 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3hj3 h ILE 372 CO -0.25 0.21 0.38 -0.08 0.00 0.00 0.00 178.15 178.41 3hj3 h GLU 373 N 0.85 1.09 -0.62 2.37 4.57 -0.50 -2.69 114.58 119.66 3hj3 h GLU 373 Ca 0.22 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 3hj3 h GLU 373 Cb 0.03 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 3hj3 h GLU 373 CO -0.04 0.84 0.16 1.15 -1.18 0.00 0.00 179.01 179.95 3hj3 h THR 374 N 1.07 1.24 0.16 0.32 2.02 -0.24 -1.29 112.91 116.19 3hj3 h THR 374 Ca 0.26 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3hj3 h THR 374 Cb 0.10 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3hj3 h THR 374 CO -0.04 0.33 -0.08 -0.07 0.37 0.00 0.00 175.52 176.04 3hj3 h LEU 375 N 0.92 -0.18 -0.26 2.58 3.38 -0.86 1.23 115.31 122.12 3hj3 h LEU 375 Ca 0.20 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3hj3 h LEU 375 Cb 0.31 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hj3 h LEU 375 CO -0.00 0.23 -0.03 0.07 0.09 0.00 0.00 178.44 178.80 3hj3 h LYS 376 N -0.63 0.48 0.13 1.13 2.10 -1.59 -3.26 116.57 114.93 3hj3 h LYS 376 Ca -0.02 -0.17 -0.28 0.00 -2.00 0.00 0.00 60.65 58.18 3hj3 h LYS 376 Cb 0.47 -0.04 0.02 0.00 -0.90 0.00 0.00 32.23 31.78 3hj3 h LYS 376 CO 0.04 0.67 -1.24 -0.91 -2.00 0.00 0.00 179.45 176.00 3hj3 h ASN 377 N 0.24 0.63 -1.47 7.07 4.21 -1.19 -3.40 115.58 121.67 3hj3 h ASN 377 Ca 0.07 -0.62 -0.45 0.00 1.21 0.00 0.00 56.30 56.51 3hj3 h ASN 377 Cb 0.47 -0.20 -0.41 0.00 -1.12 0.00 0.00 38.32 37.06 3hj3 h ASN 377 CO 0.02 1.46 -1.06 -3.20 -1.29 0.00 0.00 177.43 173.36 3hj3 n ASN 378 N -3.66 2.17 -0.34 5.81 5.15 0.42 -4.98 115.26 119.83 3hj3 n ASN 378 Ca -0.11 -3.06 0.07 0.00 -0.60 0.00 0.00 54.58 50.88 3hj3 n ASN 378 Cb 1.00 -0.54 0.23 0.00 -0.53 0.00 0.00 39.78 39.94 3hj3 n ASN 378 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3hj3 h PRO 379 N 2.92 0.84 0.00 1.20 0.13 -1.59 0.10 132.00 135.61 3hj3 h PRO 379 Ca 0.04 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3hj3 h PRO 379 Cb 1.02 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3hj3 h PRO 379 CO 0.59 0.56 0.00 1.63 -0.23 0.00 0.00 178.00 180.55 3hj3 n LYS 380 N -4.70 0.72 -3.08 0.86 4.76 -1.26 -4.38 118.16 111.08 3hj3 n LYS 380 Ca 0.18 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.30 3hj3 n LYS 380 Cb 0.38 -1.06 -0.06 0.00 -1.84 0.00 0.00 35.03 32.46 3hj3 n LYS 380 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3hj3 s ASP 381 N -1.36 6.74 -0.13 4.39 2.15 0.36 -4.99 116.67 123.83 3hj3 s ASP 381 Ca 0.04 1.28 0.15 0.00 0.43 0.00 0.00 52.55 54.45 3hj3 s ASP 381 Cb 0.02 -2.37 0.52 0.00 -0.30 0.00 0.00 42.92 40.78 3hj3 s ASP 381 CO 0.03 -0.24 1.43 0.54 -0.17 0.00 0.00 175.17 176.76 3hj3 n ARG 382 N -0.52 3.17 -0.65 4.34 1.74 -1.26 -4.42 116.66 119.06 3hj3 n ARG 382 Ca 0.04 -2.68 0.01 0.00 -0.77 0.00 0.00 57.85 54.45 3hj3 n ARG 382 Cb 0.53 -1.74 0.23 0.00 -1.02 0.00 0.00 32.46 30.46 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 0.02 2.41 -1.89 5.56 3.00 -1.26 -4.83 116.66 119.66 3hj3 n ARG 383 Ca 0.20 -3.00 -0.42 0.00 -0.01 0.00 0.00 57.85 54.61 3hj3 n ARG 383 Cb 0.80 -1.85 0.00 0.00 0.00 0.00 0.00 32.46 31.41 3hj3 n ARG 383 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3hj3 n HIS 384 N -0.82 3.56 -4.76 -1.55 8.25 -1.26 -4.95 115.22 113.70 3hj3 n HIS 384 Ca 0.29 -2.95 -0.32 0.00 -0.26 0.00 0.00 57.72 54.49 3hj3 n HIS 384 Cb 1.00 -2.48 -0.13 0.00 1.12 0.00 0.00 29.99 29.51 3hj3 n HIS 384 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hj3 s ILE 385 N 2.88 2.91 -0.17 1.59 -1.09 -1.26 -1.38 121.20 124.68 3hj3 s ILE 385 Ca 0.46 -0.99 -0.00 0.00 -2.23 0.00 0.00 60.65 57.89 3hj3 s ILE 385 Cb 0.12 -2.19 0.04 0.00 -1.58 0.00 0.00 42.46 38.86 3hj3 s ILE 385 CO -0.06 0.44 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.82 3hj3 s LEU 386 N -1.16 1.68 0.07 2.97 2.96 -0.05 -4.91 118.68 120.25 3hj3 s LEU 386 Ca 0.14 -0.71 0.09 0.00 -0.22 0.00 0.00 54.13 53.43 3hj3 s LEU 386 Cb -0.11 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.62 3hj3 s LEU 386 CO 0.04 -0.19 -0.25 0.28 -1.32 0.00 0.00 176.35 174.90 3hj3 s THR 387 N 1.62 2.08 0.00 3.68 -1.32 -1.26 -0.52 115.64 119.91 3hj3 s THR 387 Ca 0.00 -1.47 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 3hj3 s THR 387 Cb -0.16 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.03 3hj3 s THR 387 CO -0.08 0.24 0.39 0.00 -2.21 0.00 0.00 174.62 172.96 3hj3 n ALA 388 N 1.52 2.19 -2.63 11.08 0.00 -0.41 -4.60 120.51 127.66 3hj3 n ALA 388 Ca -0.17 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 3hj3 n ALA 388 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.13 2.79 -0.38 0.00 -0.11 -1.24 -4.73 118.94 115.13 3hj3 s TRP 389 Ca 0.00 0.08 0.01 0.00 1.22 0.00 0.00 56.10 57.41 3hj3 s TRP 389 Cb 0.00 -4.10 0.12 0.00 -1.50 0.00 0.00 33.47 27.99 3hj3 s TRP 389 CO 0.00 -1.34 0.18 1.21 -4.62 0.00 0.00 176.95 172.38 3hj3 s ASN 390 N 2.77 3.83 0.30 5.86 3.84 -1.26 -5.01 114.94 125.27 3hj3 s ASN 390 Ca 0.32 -2.23 0.05 0.00 0.21 0.00 0.00 52.86 51.21 3hj3 s ASN 390 Cb -0.12 -0.99 0.80 0.00 -0.55 0.00 0.00 41.25 40.39 3hj3 s ASN 390 CO 0.21 -0.33 1.66 -0.65 -2.79 0.00 0.00 177.10 175.20 3hj3 h PRO 391 N 7.28 0.25 -0.89 0.43 0.11 -2.01 0.55 132.00 137.72 3hj3 h PRO 391 Ca -0.05 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.18 3hj3 h PRO 391 Cb 0.97 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.95 3hj3 h PRO 391 CO 0.47 0.17 0.57 0.77 -0.21 0.00 0.00 178.00 179.77 3hj3 h SER 392 N 0.26 0.65 0.10 -2.05 0.02 -2.03 -3.25 113.55 107.26 3hj3 h SER 392 Ca 0.59 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 3hj3 h SER 392 Cb 1.23 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3hj3 h SER 392 CO -0.63 0.33 -1.04 0.00 -1.14 0.00 0.00 176.83 174.35 3hj3 n ALA 393 N -2.43 4.30 -0.15 3.77 0.00 0.19 -4.73 120.51 121.45 3hj3 n ALA 393 Ca 0.17 -0.54 -0.03 0.00 0.00 0.00 0.00 53.44 53.04 3hj3 n ALA 393 Cb 0.47 -0.83 0.05 0.00 0.00 0.00 0.00 19.45 19.14 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 0.00 -0.27 -2.28 0.00 3.38 -1.43 -1.19 115.31 113.52 3hj3 h LEU 394 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hj3 h LEU 394 Cb 0.57 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3hj3 h LEU 394 CO 0.00 -0.09 0.00 0.77 0.09 0.00 0.00 178.44 179.21 3hj3 h SER 395 N 0.08 0.00 1.21 -0.43 4.64 -1.85 -2.00 113.55 115.21 3hj3 h SER 395 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3hj3 h SER 395 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3hj3 h SER 395 CO -0.43 0.00 -0.58 1.56 -0.87 0.00 0.00 176.83 176.51 3hj3 h GLN 396 N 0.00 0.00 -6.28 4.77 4.20 -1.55 -3.47 115.11 112.77 3hj3 h GLN 396 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3hj3 h GLN 396 Cb 0.18 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3hj3 h GLN 396 CO 0.00 0.00 0.25 -1.64 -0.67 0.00 0.00 178.83 176.77 3hj3 s MET 397 N -3.25 4.52 0.56 1.46 -1.94 -0.75 -4.43 119.30 115.48 3hj3 s MET 397 Ca 0.04 1.20 0.38 0.00 -1.71 0.00 0.00 55.69 55.60 3hj3 s MET 397 Cb 0.10 -3.44 1.52 0.00 2.01 0.00 0.00 34.83 35.02 3hj3 s MET 397 CO 0.73 0.05 1.69 0.00 -0.01 0.00 0.00 175.02 177.48 3hj3 h ALA 398 N 6.55 3.21 -1.99 3.03 0.00 -1.53 -3.40 119.26 125.12 3hj3 h ALA 398 Ca -0.42 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.47 3hj3 h ALA 398 Cb 1.21 0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.89 3hj3 h ALA 398 CO 0.74 -1.69 0.03 -1.17 0.00 0.00 0.00 179.25 177.17 3hj3 s LEU 399 N -7.88 -0.94 0.35 0.00 2.96 -1.26 -5.06 118.68 106.86 3hj3 s LEU 399 Ca -0.05 1.51 -0.28 0.00 -0.22 0.00 0.00 54.13 55.09 3hj3 s LEU 399 Cb 0.22 2.38 -0.10 0.00 0.50 0.00 0.00 46.19 49.20 3hj3 s LEU 399 CO 0.76 -0.24 1.28 -2.84 -1.32 0.00 0.00 176.35 173.99 3hj3 s PRO 400 N 1.60 4.26 0.69 0.98 0.02 -1.26 -4.93 135.00 136.35 3hj3 s PRO 400 Ca -0.10 2.14 -0.17 0.00 0.02 0.00 0.00 61.00 62.89 3hj3 s PRO 400 Cb -0.05 -2.97 0.01 0.00 0.02 0.00 0.00 34.50 31.52 3hj3 s PRO 400 CO -0.19 -0.24 1.28 -1.25 -0.33 0.00 0.00 177.00 176.26 3hj3 s PRO 401 N -1.92 2.29 -0.23 5.54 0.04 -1.26 -4.97 135.00 134.49 3hj3 s PRO 401 Ca 0.51 2.00 -0.14 0.00 0.04 0.00 0.00 61.00 63.41 3hj3 s PRO 401 Cb -0.38 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 3hj3 s PRO 401 CO 0.50 -1.78 -0.33 0.00 0.04 0.00 0.00 177.00 175.43 3hj3 s HIS 403 N -2.58 1.83 -0.16 0.00 0.00 -1.26 -1.69 115.29 111.43 3hj3 s HIS 403 Ca -0.33 0.60 0.08 0.00 -3.00 0.00 0.00 55.06 52.41 3hj3 s HIS 403 Cb 0.11 -4.21 -0.23 0.00 -4.00 0.00 0.00 32.58 24.25 3hj3 s HIS 403 CO 0.44 -2.27 0.21 0.28 -1.00 0.00 0.00 174.74 172.40 3hj3 n VAL 404 N 7.05 1.54 -3.69 -5.38 0.31 -0.82 -4.68 118.33 112.66 3hj3 n VAL 404 Ca 0.17 -0.74 -0.12 0.00 -0.01 0.00 0.00 64.34 63.64 3hj3 n VAL 404 Cb 0.51 -1.07 -0.09 0.00 -0.91 0.00 0.00 33.84 32.28 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 -6.17 -0.11 0.06 7.52 0.20 -1.15 -1.28 118.68 117.74 3hj3 s LEU 405 Ca -0.17 1.07 0.03 0.00 0.69 0.00 0.00 54.13 55.75 3hj3 s LEU 405 Cb 0.07 1.78 -0.03 0.00 -0.43 0.00 0.00 46.19 47.59 3hj3 s LEU 405 CO 0.76 -0.19 -0.09 -0.94 -0.29 0.00 0.00 176.35 175.61 3hj3 s SER 406 N 0.60 1.08 -0.05 3.68 1.04 0.32 0.14 113.70 120.51 3hj3 s SER 406 Ca -0.03 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.78 3hj3 s SER 406 Cb -0.05 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.12 3hj3 s SER 406 CO -0.04 -0.22 -0.07 -1.58 0.98 0.00 0.00 173.24 172.32 3hj3 s GLN 407 N -1.97 1.10 -0.11 4.02 0.74 -0.31 -0.87 119.66 122.26 3hj3 s GLN 407 Ca -0.05 -0.20 -0.03 0.00 0.05 0.00 0.00 55.36 55.13 3hj3 s GLN 407 Cb -0.08 -1.01 -0.03 0.00 1.10 0.00 0.00 33.01 32.99 3hj3 s GLN 407 CO 0.00 -0.04 0.02 0.71 -0.55 0.00 0.00 175.29 175.43 3hj3 s TYR 408 N 0.82 3.20 -0.02 1.67 2.02 -0.48 -1.59 117.35 122.97 3hj3 s TYR 408 Ca -0.12 0.15 0.06 0.00 -0.37 0.00 0.00 57.07 56.78 3hj3 s TYR 408 Cb -0.15 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 3hj3 s TYR 408 CO 0.01 0.39 -0.19 -0.47 -1.57 0.00 0.00 175.55 173.72 3hj3 s TYR 409 N -0.55 1.79 -0.22 2.71 5.04 -0.20 -4.60 117.35 121.32 3hj3 s TYR 409 Ca 0.10 -0.39 -0.05 0.00 -2.44 0.00 0.00 57.07 54.30 3hj3 s TYR 409 Cb -0.12 -1.16 -0.01 0.00 0.35 0.00 0.00 41.96 41.01 3hj3 s TYR 409 CO 0.02 -0.07 -0.02 0.08 -1.34 0.00 0.00 175.55 174.23 3hj3 s VAL 410 N -0.35 3.61 0.67 3.14 1.01 -1.26 -0.01 120.40 127.22 3hj3 s VAL 410 Ca 0.05 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 3hj3 s VAL 410 Cb -0.09 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.67 3hj3 s VAL 410 CO 0.00 0.41 1.01 0.42 0.00 0.00 0.00 175.10 176.94 3hj3 s THR 411 N 1.43 3.16 -1.67 3.92 -4.23 0.78 -4.82 115.64 114.21 3hj3 s THR 411 Ca 0.05 0.09 0.12 0.00 -1.18 0.00 0.00 61.69 60.77 3hj3 s THR 411 Cb -0.14 -3.32 0.26 0.00 1.34 0.00 0.00 72.50 70.63 3hj3 s THR 411 CO -0.01 -0.37 1.21 0.59 -0.54 0.00 0.00 174.62 175.50 3hj3 n ASN 412 N -2.85 0.00 -0.41 3.99 5.03 -1.26 -1.65 115.26 118.11 3hj3 n ASN 412 Ca 0.06 -0.08 0.08 0.00 0.87 0.00 0.00 54.58 55.51 3hj3 n ASN 412 Cb 0.58 -0.17 0.18 0.00 -1.02 0.00 0.00 39.78 39.36 3hj3 n ASN 412 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3hj3 n ASP 413 N -1.17 2.52 -2.38 6.41 5.75 -1.26 -5.00 116.55 121.42 3hj3 n ASP 413 Ca 0.07 -3.29 -0.14 0.00 -0.01 0.00 0.00 54.79 51.42 3hj3 n ASP 413 Cb 0.07 -0.49 0.05 0.00 -1.03 0.00 0.00 41.12 39.72 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 -1.19 -4.36 -4.61 -1.12 3.02 -0.66 -4.95 115.26 101.39 3hj3 n ASN 414 Ca 0.19 -0.33 -0.31 0.00 -0.03 0.00 0.00 54.58 54.10 3hj3 n ASN 414 Cb 0.73 -3.24 -0.10 0.00 -0.61 0.00 0.00 39.78 36.56 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 -1.90 4.68 0.25 0.00 2.96 0.33 -0.16 118.68 124.84 3hj3 s LEU 416 Ca 0.21 -1.24 -0.03 0.00 -0.22 0.00 0.00 54.13 52.84 3hj3 s LEU 416 Cb -0.11 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 3hj3 s LEU 416 CO 0.12 -0.41 0.48 -0.44 -1.32 0.00 0.00 176.35 174.78 3hj3 s SER 417 N 1.65 6.43 -0.03 3.68 0.01 0.99 -1.15 113.70 125.27 3hj3 s SER 417 Ca 0.01 0.58 0.03 0.00 1.31 0.00 0.00 55.95 57.88 3hj3 s SER 417 Cb -0.21 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.94 3hj3 s SER 417 CO 0.03 -0.12 -0.13 0.00 0.41 0.00 0.00 173.24 173.43 3hj3 s ASN 419 N 0.12 4.03 -0.09 0.00 0.02 -0.62 -0.19 114.94 118.21 3hj3 s ASN 419 Ca -0.04 -0.28 0.04 0.00 -1.02 0.00 0.00 52.86 51.57 3hj3 s ASN 419 Cb -0.10 -1.38 -0.00 0.00 0.02 0.00 0.00 41.25 39.79 3hj3 s ASN 419 CO 0.01 0.22 -0.24 -0.22 0.02 0.00 0.00 177.10 176.90 3hj3 s LEU 420 N 0.02 2.07 -0.36 0.60 2.96 0.60 -1.16 118.68 123.40 3hj3 s LEU 420 Ca -0.04 -0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 53.20 3hj3 s LEU 420 Cb -0.14 -1.38 -0.00 0.00 0.50 0.00 0.00 46.19 45.16 3hj3 s LEU 420 CO 0.04 0.18 0.25 -0.47 -1.32 0.00 0.00 176.35 175.03 3hj3 s TYR 421 N 0.23 3.23 -0.27 5.38 5.04 0.37 -0.34 117.35 130.98 3hj3 s TYR 421 Ca -0.15 -0.38 -0.08 0.00 -2.44 0.00 0.00 57.07 54.02 3hj3 s TYR 421 Cb -0.17 -2.50 -0.02 0.00 0.35 0.00 0.00 41.96 39.62 3hj3 s TYR 421 CO 0.08 -0.44 0.11 -1.14 -1.34 0.00 0.00 175.55 172.81 3hj3 s GLN 422 N 1.69 3.58 0.10 4.97 0.74 0.25 -1.94 119.66 129.06 3hj3 s GLN 422 Ca 0.05 -0.54 0.03 0.00 0.05 0.00 0.00 55.36 54.95 3hj3 s GLN 422 Cb -0.18 -3.45 -0.24 0.00 1.10 0.00 0.00 33.01 30.25 3hj3 s GLN 422 CO 0.10 -0.27 1.22 0.07 -0.55 0.00 0.00 175.29 175.87 3hj3 h ARG 423 N 8.29 0.09 -2.97 1.67 0.11 -1.61 0.16 114.38 120.12 3hj3 h ARG 423 Ca -0.36 -0.16 -0.15 0.00 0.10 0.00 0.00 59.98 59.41 3hj3 h ARG 423 Cb 1.17 0.06 -0.26 0.00 1.11 0.00 0.00 29.97 32.05 3hj3 h ARG 423 CO 0.59 1.07 -0.36 0.45 0.10 0.00 0.00 179.97 181.81 3hj3 s SER 424 N -6.85 -0.33 -0.20 0.08 0.15 -1.26 -0.84 113.70 104.45 3hj3 s SER 424 Ca -0.01 0.63 -0.06 0.00 0.70 0.00 0.00 55.95 57.21 3hj3 s SER 424 Cb 0.09 0.62 0.10 0.00 -1.71 0.00 0.00 66.02 65.11 3hj3 s SER 424 CO 0.84 -0.12 0.41 0.00 1.20 0.00 0.00 173.24 175.58 3hj3 s ASP 426 N 2.60 6.64 0.62 0.00 3.68 -1.26 -3.18 116.67 125.78 3hj3 s ASP 426 Ca 0.00 0.71 0.40 0.00 2.13 0.00 0.00 52.55 55.79 3hj3 s ASP 426 Cb -0.12 -2.38 2.03 0.00 -1.45 0.00 0.00 42.92 41.00 3hj3 s ASP 426 CO -0.13 -0.50 2.23 -0.07 0.13 0.00 0.00 175.17 176.83 3hj3 h LEU 427 N 9.19 0.00 0.00 -1.34 -0.00 -1.73 -0.56 115.31 120.87 3hj3 h LEU 427 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 3hj3 h LEU 427 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 3hj3 h LEU 427 CO 0.83 0.01 -0.08 1.23 -0.00 0.00 0.00 178.44 180.43 3hj3 h GLY 428 N 0.72 0.00 0.00 0.83 0.00 -1.90 -3.40 103.07 99.32 3hj3 h GLY 428 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hj3 h GLY 428 CO 0.00 0.00 -0.31 1.41 0.00 0.00 0.00 176.54 177.65 3hj3 h LEU 429 N -0.89 0.00 -1.17 3.11 4.07 -1.96 -3.43 115.31 115.04 3hj3 h LEU 429 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 3hj3 h LEU 429 Cb 0.08 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 3hj3 h LEU 429 CO 0.00 0.50 0.11 1.23 -1.08 0.00 0.00 178.44 179.20 3hj3 h GLY 430 N -0.70 0.74 0.97 0.83 0.00 -1.69 -3.28 103.07 99.94 3hj3 h GLY 430 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 3hj3 h GLY 430 CO 0.00 0.38 -0.42 0.23 0.00 0.00 0.00 176.54 176.74 3hj3 h SER 431 N 0.67 0.74 -0.82 0.19 0.87 -1.33 -0.66 113.55 113.21 3hj3 h SER 431 Ca 0.15 -0.54 0.09 0.00 -1.23 0.00 0.00 61.79 60.26 3hj3 h SER 431 Cb 0.26 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 3hj3 h SER 431 CO -0.00 1.15 0.53 -0.65 -0.53 0.00 0.00 176.83 177.33 3hj3 h PRO 432 N 0.37 0.77 0.82 2.24 0.11 -1.79 -0.80 132.00 133.72 3hj3 h PRO 432 Ca 0.01 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3hj3 h PRO 432 Cb 1.02 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3hj3 h PRO 432 CO 0.09 0.51 -0.47 0.74 -0.21 0.00 0.00 178.00 178.66 3hj3 h PHE 433 N 0.80 -1.25 -0.90 0.65 -1.00 -1.58 -2.68 116.94 110.97 3hj3 h PHE 433 Ca 0.37 -0.02 0.17 0.00 2.81 0.00 0.00 57.97 61.30 3hj3 h PHE 433 Cb 0.39 0.44 -0.10 0.00 3.61 0.00 0.00 35.95 40.29 3hj3 h PHE 433 CO -0.00 -0.72 0.48 -0.91 -1.61 0.00 0.00 178.31 175.55 3hj3 h ASN 434 N -1.20 0.57 0.23 2.17 2.35 -0.45 0.24 115.58 119.49 3hj3 h ASN 434 Ca -0.11 0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3hj3 h ASN 434 Cb 0.95 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 3hj3 h ASN 434 CO 0.13 0.21 -0.36 0.40 -1.65 0.00 0.00 177.43 176.16 3hj3 h ILE 435 N 0.63 0.26 -0.47 2.81 2.04 -1.04 -2.11 117.51 119.63 3hj3 h ILE 435 Ca 0.51 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.31 3hj3 h ILE 435 Cb 0.77 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3hj3 h ILE 435 CO -0.39 0.00 0.05 0.00 0.00 0.00 0.00 178.15 177.81 3hj3 h ALA 436 N -0.14 0.63 -0.67 1.87 0.00 -1.11 -2.51 119.26 117.33 3hj3 h ALA 436 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.78 3hj3 h ALA 436 Cb 0.64 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 3hj3 h ALA 436 CO -0.14 0.38 0.25 1.03 0.00 0.00 0.00 179.25 180.77 3hj3 h SER 437 N 0.66 0.23 0.66 0.00 0.87 -0.26 0.40 113.55 116.10 3hj3 h SER 437 Ca 0.14 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3hj3 h SER 437 Cb 0.43 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 3hj3 h SER 437 CO 0.01 0.12 -0.85 -1.22 -0.53 0.00 0.00 176.83 174.36 3hj3 n TYR 438 N -5.01 0.44 0.10 2.24 4.01 -0.82 -1.69 117.16 116.43 3hj3 n TYR 438 Ca 0.11 0.13 -0.13 0.00 -0.16 0.00 0.00 57.90 57.84 3hj3 n TYR 438 Cb 0.33 -0.57 -0.08 0.00 -0.31 0.00 0.00 39.34 38.72 3hj3 n TYR 438 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hj3 h ALA 439 N 2.49 -0.19 0.01 -0.72 0.00 -0.83 -2.74 119.26 117.28 3hj3 h ALA 439 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hj3 h ALA 439 Cb 0.76 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hj3 h ALA 439 CO 0.00 -0.57 -0.00 0.82 0.00 0.00 0.00 179.25 179.49 3hj3 h ILE 440 N -0.26 1.19 -0.53 0.00 2.04 -0.90 -2.16 117.51 116.89 3hj3 h ILE 440 Ca -0.02 -0.60 0.11 0.00 1.00 0.00 0.00 64.86 65.34 3hj3 h ILE 440 Cb 0.20 1.60 -0.10 0.00 -0.74 0.00 0.00 36.82 37.78 3hj3 h ILE 440 CO 0.03 0.16 -0.14 0.25 0.00 0.00 0.00 178.15 178.45 3hj3 h LEU 441 N -0.27 -0.51 -0.47 1.44 5.85 -1.42 0.50 115.31 120.42 3hj3 h LEU 441 Ca -0.00 0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3hj3 h LEU 441 Cb 0.27 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3hj3 h LEU 441 CO 0.00 -0.18 0.25 0.74 -0.34 0.00 0.00 178.44 178.91 3hj3 h THR 442 N -0.01 0.99 -0.60 1.05 2.02 -1.40 0.48 112.91 115.45 3hj3 h THR 442 Ca 0.25 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 3hj3 h THR 442 Cb 0.39 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3hj3 h THR 442 CO -0.55 0.09 0.25 0.24 0.37 0.00 0.00 175.52 175.92 3hj3 h MET 443 N 0.49 0.86 -0.46 6.66 2.86 -0.53 0.60 114.93 125.41 3hj3 h MET 443 Ca 0.20 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3hj3 h MET 443 Cb 0.08 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3hj3 h MET 443 CO -0.12 0.70 0.01 0.52 1.06 0.00 0.00 176.91 179.08 3hj3 h MET 444 N 0.85 0.80 -0.69 1.72 2.07 0.14 -1.36 114.93 118.46 3hj3 h MET 444 Ca 0.20 -0.25 -0.07 0.00 -2.07 0.00 0.00 59.70 57.51 3hj3 h MET 444 Cb 0.15 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.78 3hj3 h MET 444 CO -0.02 0.85 0.15 -0.07 1.07 0.00 0.00 176.91 178.88 3hj3 h LEU 445 N 0.65 1.06 -0.05 1.22 3.38 0.37 -2.89 115.31 119.06 3hj3 h LEU 445 Ca 0.13 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3hj3 h LEU 445 Cb 0.48 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3hj3 h LEU 445 CO 0.02 1.03 -0.12 0.00 0.09 0.00 0.00 178.44 179.45 3hj3 h ALA 446 N 1.10 -0.10 0.74 1.53 0.00 0.51 -2.28 119.26 120.75 3hj3 h ALA 446 Ca 0.21 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3hj3 h ALA 446 Cb 0.40 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hj3 h ALA 446 CO 0.01 -0.60 -0.49 0.37 0.00 0.00 0.00 179.25 178.53 3hj3 h GLN 447 N -0.19 -1.12 -1.14 0.00 4.15 -1.22 0.17 115.11 115.77 3hj3 h GLN 447 Ca 0.06 0.08 0.32 0.00 0.77 0.00 0.00 58.65 59.88 3hj3 h GLN 447 Cb 0.27 0.25 -0.06 0.00 0.21 0.00 0.00 27.48 28.16 3hj3 h GLN 447 CO -0.16 -0.75 0.80 0.28 -1.93 0.00 0.00 178.83 177.08 3hj3 h VAL 448 N -1.16 0.44 -0.01 2.39 2.07 -1.49 -1.52 116.25 116.97 3hj3 h VAL 448 Ca -0.10 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3hj3 h VAL 448 Cb 0.94 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3hj3 h VAL 448 CO 0.07 0.01 -0.49 0.00 0.02 0.00 0.00 177.57 177.19 3hj3 n GLY 450 N 1.29 0.27 3.66 0.00 0.00 0.10 -4.78 105.19 105.74 3hj3 n GLY 450 Ca 0.07 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.11 1.82 0.16 1.61 4.12 0.38 -5.03 117.35 117.31 3hj3 s TYR 451 Ca 0.05 -1.11 0.10 0.00 0.02 0.00 0.00 57.07 56.14 3hj3 s TYR 451 Cb -0.02 -1.42 -0.04 0.00 -1.52 0.00 0.00 41.96 38.96 3hj3 s TYR 451 CO 0.23 -0.00 -0.20 -1.21 0.02 0.00 0.00 175.55 174.39 3hj3 s GLU 452 N -3.80 1.68 0.47 -0.62 0.41 -0.40 -4.17 118.70 112.27 3hj3 s GLU 452 Ca 0.12 -1.36 -0.25 0.00 -0.41 0.00 0.00 54.97 53.08 3hj3 s GLU 452 Cb 0.02 -1.99 -0.08 0.00 -1.78 0.00 0.00 34.13 30.30 3hj3 s GLU 452 CO 0.08 0.43 1.40 -1.25 -0.49 0.00 0.00 175.26 175.43 3hj3 s PRO 453 N -2.50 3.61 0.00 0.39 0.04 -1.26 -0.51 135.00 134.77 3hj3 s PRO 453 Ca 0.20 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.59 3hj3 s PRO 453 Cb -0.09 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.87 3hj3 s PRO 453 CO 0.11 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.70 3hj3 n GLY 454 N 0.61 0.86 3.66 0.56 0.00 -0.30 -3.83 105.19 106.75 3hj3 n GLY 454 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 2.95 2.38 -0.19 1.61 2.02 -1.26 -0.78 118.70 125.42 3hj3 s GLU 455 Ca 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.81 3hj3 s GLU 455 Cb 0.00 -2.31 0.01 0.00 0.10 0.00 0.00 34.13 31.93 3hj3 s GLU 455 CO 0.00 0.43 -0.17 -1.17 0.02 0.00 0.00 175.26 174.38 3hj3 s LEU 456 N -3.12 2.29 -0.20 1.80 2.96 0.14 -1.12 118.68 121.43 3hj3 s LEU 456 Ca 0.28 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3hj3 s LEU 456 Cb -0.09 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.07 3hj3 s LEU 456 CO 0.19 -0.00 -0.11 0.00 -1.32 0.00 0.00 176.35 175.11 3hj3 s ALA 457 N 1.33 2.62 -0.24 5.97 0.00 0.74 -0.45 121.76 131.72 3hj3 s ALA 457 Ca 0.05 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 3hj3 s ALA 457 Cb -0.13 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 3hj3 s ALA 457 CO -0.11 -0.34 0.04 0.42 0.00 0.00 0.00 175.76 175.77 3hj3 s ILE 458 N 1.31 4.02 -0.22 0.00 1.01 -0.34 -0.29 121.20 126.68 3hj3 s ILE 458 Ca 0.04 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 3hj3 s ILE 458 Cb -0.14 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 3hj3 s ILE 458 CO -0.06 0.36 0.14 -0.36 0.00 0.00 0.00 174.94 175.02 3hj3 s PHE 459 N 1.57 3.35 -0.13 3.97 2.99 0.53 -1.27 117.98 129.00 3hj3 s PHE 459 Ca 0.06 0.26 -0.02 0.00 0.00 0.00 0.00 56.93 57.23 3hj3 s PHE 459 Cb -0.15 -2.21 -0.03 0.00 0.00 0.00 0.00 43.02 40.63 3hj3 s PHE 459 CO 0.01 0.16 -0.04 0.42 -0.00 0.00 0.00 175.22 175.77 3hj3 s ILE 460 N 0.73 3.86 0.00 0.64 -1.09 -0.05 -0.59 121.20 124.71 3hj3 s ILE 460 Ca 0.08 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 3hj3 s ILE 460 Cb -0.12 -2.66 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 3hj3 s ILE 460 CO 0.01 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 3hj3 n GLY 461 N 3.06 1.80 3.58 6.18 0.00 0.56 -1.18 105.19 119.20 3hj3 n GLY 461 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.00 5.97 -0.35 1.61 3.68 -0.02 -1.04 116.67 125.52 3hj3 s ASP 462 Ca 0.00 0.63 -0.13 0.00 2.13 0.00 0.00 52.55 55.18 3hj3 s ASP 462 Cb 0.00 -2.54 -0.01 0.00 -1.45 0.00 0.00 42.92 38.92 3hj3 s ASP 462 CO 0.00 -1.77 0.24 0.00 0.13 0.00 0.00 175.17 173.78 3hj3 s ALA 463 N 6.63 3.47 0.31 3.66 0.00 0.26 -2.97 121.76 133.13 3hj3 s ALA 463 Ca 0.63 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 51.19 3hj3 s ALA 463 Cb -0.14 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 3hj3 s ALA 463 CO 0.28 -1.07 0.24 -3.38 0.00 0.00 0.00 175.76 171.82 3hj3 s HIS 464 N 1.70 1.65 -0.03 0.00 -0.00 -1.19 -1.98 115.29 115.44 3hj3 s HIS 464 Ca 0.06 -1.57 -0.00 0.00 -0.00 0.00 0.00 55.06 53.54 3hj3 s HIS 464 Cb -0.18 -0.73 0.03 0.00 -0.00 0.00 0.00 32.58 31.70 3hj3 s HIS 464 CO 0.10 -0.77 0.03 0.42 -0.00 0.00 0.00 174.74 174.52 3hj3 s ILE 465 N -3.56 0.03 0.23 -5.38 1.01 -0.25 -1.72 121.20 111.56 3hj3 s ILE 465 Ca 0.39 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.96 3hj3 s ILE 465 Cb 0.03 -0.19 -0.10 0.00 0.01 0.00 0.00 42.46 42.22 3hj3 s ILE 465 CO 0.23 0.14 1.40 -0.31 0.00 0.00 0.00 174.94 176.41 3hj3 s TYR 466 N 1.39 3.09 -0.72 3.97 2.02 -1.26 -1.86 117.35 123.98 3hj3 s TYR 466 Ca -0.05 1.08 0.07 0.00 -0.37 0.00 0.00 57.07 57.80 3hj3 s TYR 466 Cb -0.13 -3.76 0.39 0.00 -0.40 0.00 0.00 41.96 38.06 3hj3 s TYR 466 CO -0.03 -2.45 1.22 -0.85 -1.57 0.00 0.00 175.55 171.87 3hj3 n GLU 467 N 2.44 0.05 -0.30 -0.62 0.28 0.13 -0.38 120.64 122.24 3hj3 n GLU 467 Ca 0.07 0.54 0.10 0.00 -0.16 0.00 0.00 57.16 57.71 3hj3 n GLU 467 Cb 0.41 -1.66 0.28 0.00 1.43 0.00 0.00 31.44 31.90 3hj3 n GLU 467 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3hj3 n ASN 468 N -1.75 3.34 -0.34 -1.84 2.04 -1.26 -3.80 115.26 111.65 3hj3 n ASN 468 Ca -0.00 -1.99 0.07 0.00 -0.44 0.00 0.00 54.58 52.22 3hj3 n ASN 468 Cb 0.02 -0.39 -0.00 0.00 -2.53 0.00 0.00 39.78 36.87 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 1.34 0.00 0.04 -2.53 8.25 0.49 -4.76 115.22 118.05 3hj3 n HIS 469 Ca 0.21 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.55 3hj3 n HIS 469 Cb 0.54 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.60 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 1.68 -1.01 -0.99 2.41 4.07 -1.66 0.25 115.31 120.06 3hj3 h LEU 470 Ca 0.00 0.14 -0.06 0.00 0.08 0.00 0.00 57.88 58.04 3hj3 h LEU 470 Cb 0.51 0.41 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 3hj3 h LEU 470 CO 0.00 -0.39 0.09 0.71 -1.08 0.00 0.00 178.44 177.78 3hj3 h THR 471 N -0.46 1.23 -0.35 0.22 1.35 -1.87 -2.09 112.91 110.93 3hj3 h THR 471 Ca 0.07 -0.87 -0.12 0.00 -0.55 0.00 0.00 66.41 64.94 3hj3 h THR 471 Cb 0.57 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 3hj3 h THR 471 CO -0.30 0.32 -0.27 1.56 -0.25 0.00 0.00 175.52 176.58 3hj3 h GLN 472 N 0.79 0.72 0.00 4.72 7.50 -1.63 -1.26 115.11 125.96 3hj3 h GLN 472 Ca 0.17 -0.31 -0.14 0.00 0.50 0.00 0.00 58.65 58.87 3hj3 h GLN 472 Cb 0.34 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.83 3hj3 h GLN 472 CO 0.00 0.91 -0.66 -0.07 -1.50 0.00 0.00 178.83 177.51 3hj3 h LEU 473 N 0.62 0.00 -0.08 1.46 3.38 -0.36 -2.63 115.31 117.70 3hj3 h LEU 473 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3hj3 h LEU 473 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3hj3 h LEU 473 CO 0.06 0.66 -0.01 0.50 0.09 0.00 0.00 178.44 179.75 3hj3 h LYS 474 N 0.00 0.15 -0.98 1.13 1.63 -0.87 -0.18 116.57 117.45 3hj3 h LYS 474 Ca -0.01 -0.05 0.20 0.00 -0.85 0.00 0.00 60.65 59.94 3hj3 h LYS 474 Cb 1.27 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.79 3hj3 h LYS 474 CO 0.09 0.45 0.61 1.49 -3.45 0.00 0.00 179.45 178.64 3hj3 h GLU 475 N -0.16 0.62 -0.01 1.90 4.57 -1.30 -1.55 114.58 118.66 3hj3 h GLU 475 Ca 0.02 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 3hj3 h GLU 475 Cb 0.39 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3hj3 h GLU 475 CO 0.01 0.41 -0.66 0.37 -1.18 0.00 0.00 179.01 177.96 3hj3 h GLN 476 N 0.64 0.06 0.00 1.92 4.15 -1.03 -2.90 115.11 117.95 3hj3 h GLN 476 Ca 0.55 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.92 3hj3 h GLN 476 Cb 1.01 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.71 3hj3 h GLN 476 CO -0.31 0.70 0.00 1.28 -1.93 0.00 0.00 178.83 178.57 3hj3 n LEU 477 N -3.78 0.68 -0.35 -2.39 4.77 -0.13 -2.80 117.00 113.02 3hj3 n LEU 477 Ca -0.02 0.58 0.02 0.00 -0.03 0.00 0.00 56.01 56.57 3hj3 n LEU 477 Cb 0.65 -0.37 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 3hj3 n LEU 477 CO 0.43 -0.20 0.54 -1.54 -1.33 0.00 0.00 177.39 175.29 3hj3 n SER 478 N -2.15 0.97 -4.26 -1.43 3.41 -0.97 -4.34 113.62 104.86 3hj3 n SER 478 Ca 0.05 -2.02 -0.33 0.00 -0.26 0.00 0.00 58.87 56.32 3hj3 n SER 478 Cb 0.39 -0.15 -0.16 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.75 3.18 0.01 4.33 0.52 -1.12 -5.01 118.95 119.11 3hj3 s ARG 479 Ca 0.11 -0.78 -0.28 0.00 -0.52 0.00 0.00 55.73 54.26 3hj3 s ARG 479 Cb 0.06 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 3hj3 s ARG 479 CO 0.07 0.07 0.89 0.99 0.02 0.00 0.00 175.30 177.34 3hj3 s THR 480 N 0.66 4.84 0.32 0.02 2.01 -1.26 -4.87 115.64 117.36 3hj3 s THR 480 Ca -0.09 1.88 -0.29 0.00 0.31 0.00 0.00 61.69 63.50 3hj3 s THR 480 Cb -0.16 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 68.01 3hj3 s THR 480 CO 0.02 0.23 1.52 -2.84 -0.69 0.00 0.00 174.62 172.86 3hj3 s PRO 481 N 0.70 4.15 0.41 4.92 0.02 -1.26 -4.93 135.00 139.00 3hj3 s PRO 481 Ca 0.47 2.52 0.06 0.00 0.02 0.00 0.00 61.00 64.07 3hj3 s PRO 481 Cb -0.21 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3hj3 s PRO 481 CO 0.26 -0.55 0.57 1.03 -0.33 0.00 0.00 177.00 177.98 3hj3 s ARG 482 N -1.15 2.93 0.75 5.54 0.52 -1.26 -5.08 118.95 121.20 3hj3 s ARG 482 Ca 0.58 -1.00 -0.11 0.00 -0.52 0.00 0.00 55.73 54.68 3hj3 s ARG 482 Cb -0.46 -2.72 0.04 0.00 0.52 0.00 0.00 34.95 32.33 3hj3 s ARG 482 CO 0.53 -0.20 1.09 -1.25 0.02 0.00 0.00 175.30 175.50 3hj3 s PRO 483 N -4.36 2.38 0.62 3.54 0.04 -1.26 -4.79 135.00 131.17 3hj3 s PRO 483 Ca 0.51 1.21 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 3hj3 s PRO 483 Cb -0.10 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 3hj3 s PRO 483 CO 0.34 -1.55 1.08 -0.06 0.04 0.00 0.00 177.00 176.84 3hj3 s PHE 484 N -2.79 2.86 0.94 0.56 0.08 -1.26 -4.80 117.98 113.56 3hj3 s PHE 484 Ca 0.62 1.52 -0.13 0.00 0.12 0.00 0.00 56.93 59.06 3hj3 s PHE 484 Cb -0.18 -3.06 0.20 0.00 -0.57 0.00 0.00 43.02 39.42 3hj3 s PHE 484 CO 0.53 -1.32 1.28 -1.25 -0.10 0.00 0.00 175.22 174.36 3hj3 s PRO 485 N -4.10 0.64 0.13 0.24 0.04 -1.25 -4.72 135.00 125.97 3hj3 s PRO 485 Ca 0.65 -0.64 0.05 0.00 0.04 0.00 0.00 61.00 61.10 3hj3 s PRO 485 Cb -0.18 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3hj3 s PRO 485 CO 0.39 -2.35 0.05 -0.65 0.04 0.00 0.00 177.00 174.48 3hj3 s GLN 486 N -5.79 2.68 -0.14 4.56 -1.52 -0.57 -1.38 119.66 117.51 3hj3 s GLN 486 Ca 0.74 -0.88 0.02 0.00 -1.95 0.00 0.00 55.36 53.30 3hj3 s GLN 486 Cb -0.03 -2.57 0.01 0.00 -0.22 0.00 0.00 33.01 30.21 3hj3 s GLN 486 CO 0.52 0.51 -0.19 -1.17 -0.25 0.00 0.00 175.29 174.71 3hj3 s LEU 487 N -2.69 1.94 -0.02 2.90 2.96 -1.26 -1.80 118.68 120.71 3hj3 s LEU 487 Ca 0.28 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 3hj3 s LEU 487 Cb -0.11 -1.30 -0.00 0.00 0.50 0.00 0.00 46.19 45.28 3hj3 s LEU 487 CO 0.21 0.03 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.63 3hj3 s LYS 488 N 1.01 0.97 0.05 1.98 -0.14 -0.57 -4.98 119.74 118.08 3hj3 s LYS 488 Ca -0.04 -0.36 -0.30 0.00 -1.36 0.00 0.00 55.97 53.91 3hj3 s LYS 488 Cb -0.15 -0.92 -0.04 0.00 -1.68 0.00 0.00 37.83 35.04 3hj3 s LYS 488 CO -0.04 0.18 1.00 -0.06 -0.76 0.00 0.00 175.35 175.67 3hj3 s PHE 489 N -0.02 3.68 -0.12 3.18 0.08 -1.26 -0.41 117.98 123.11 3hj3 s PHE 489 Ca 0.00 1.69 0.27 0.00 0.12 0.00 0.00 56.93 59.00 3hj3 s PHE 489 Cb -0.07 -3.14 1.33 0.00 -0.57 0.00 0.00 43.02 40.57 3hj3 s PHE 489 CO 0.00 -0.11 1.81 0.87 -0.10 0.00 0.00 175.22 177.69 3hj3 h LYS 490 N 6.29 0.00 -2.65 0.44 1.57 -0.76 -3.46 116.57 118.00 3hj3 h LYS 490 Ca -0.42 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.39 3hj3 h LYS 490 Cb 1.22 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.39 3hj3 h LYS 490 CO 0.74 0.00 0.32 -0.98 -0.57 0.00 0.00 179.45 178.96 3hj3 s ARG 491 N -3.58 1.09 -0.17 3.15 1.70 -1.26 -5.10 118.95 114.77 3hj3 s ARG 491 Ca -0.01 -0.35 -0.29 0.00 -0.47 0.00 0.00 55.73 54.61 3hj3 s ARG 491 Cb 0.08 0.50 -0.00 0.00 -0.57 0.00 0.00 34.95 34.96 3hj3 s ARG 491 CO 0.31 -0.47 1.02 0.21 -1.08 0.00 0.00 175.30 175.30 3hj3 s LYS 492 N -3.32 4.34 0.23 3.89 2.20 -1.26 -5.04 119.74 120.78 3hj3 s LYS 492 Ca 0.02 1.37 -0.01 0.00 -0.36 0.00 0.00 55.97 56.99 3hj3 s LYS 492 Cb -0.01 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3hj3 s LYS 492 CO -0.10 -0.47 0.42 0.14 -0.36 0.00 0.00 175.35 174.98 3hj3 s VAL 493 N 2.59 5.18 -0.05 4.02 -7.23 -1.26 -5.03 120.40 118.62 3hj3 s VAL 493 Ca 0.46 -0.37 -0.07 0.00 -1.81 0.00 0.00 61.98 60.19 3hj3 s VAL 493 Cb -0.17 -3.75 -0.29 0.00 0.56 0.00 0.00 36.38 32.73 3hj3 s VAL 493 CO 0.12 -0.23 0.64 1.05 -0.31 0.00 0.00 175.10 176.37 3hj3 h GLU 494 N 1.81 0.32 -5.75 4.82 4.11 -1.99 -3.45 114.58 114.44 3hj3 h GLU 494 Ca -0.48 -0.54 -0.67 0.00 0.07 0.00 0.00 59.36 57.73 3hj3 h GLU 494 Cb 1.20 0.20 -0.27 0.00 0.50 0.00 0.00 28.75 30.38 3hj3 h GLU 494 CO 0.67 1.21 -0.79 1.21 0.07 0.00 0.00 179.01 181.38 3hj3 s ASN 495 N -7.11 3.85 0.59 3.06 3.84 -1.26 -5.02 114.94 112.89 3hj3 s ASN 495 Ca -0.15 -0.32 0.29 0.00 0.21 0.00 0.00 52.86 52.89 3hj3 s ASN 495 Cb 0.06 -1.24 1.41 0.00 -0.55 0.00 0.00 41.25 40.92 3hj3 s ASN 495 CO 0.83 0.24 1.80 -0.29 -2.79 0.00 0.00 177.10 176.89 3hj3 h ILE 496 N 5.01 0.32 -0.15 -5.21 2.10 -1.94 0.12 117.51 117.76 3hj3 h ILE 496 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.61 3hj3 h ILE 496 Cb 1.19 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 3hj3 h ILE 496 CO 0.52 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 175.75 3hj3 n GLU 497 N -3.70 1.59 0.08 2.19 0.28 -1.26 -3.75 120.64 116.07 3hj3 n GLU 497 Ca 0.13 -0.89 -0.06 0.00 -0.16 0.00 0.00 57.16 56.17 3hj3 n GLU 497 Cb 0.86 -1.36 -0.03 0.00 1.43 0.00 0.00 31.44 32.34 3hj3 n GLU 497 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3hj3 h ASP 498 N 1.76 0.03 -1.75 -1.84 3.45 -1.18 -3.46 116.42 113.43 3hj3 h ASP 498 Ca 0.00 -0.03 -0.67 0.00 0.43 0.00 0.00 57.03 56.76 3hj3 h ASP 498 Cb 0.39 -0.01 0.05 0.00 -0.56 0.00 0.00 39.33 39.20 3hj3 h ASP 498 CO 0.00 0.91 0.55 0.49 -1.57 0.00 0.00 179.24 179.61 3hj3 n PHE 499 N -3.51 1.67 -4.33 4.55 3.01 -1.25 -5.00 117.46 112.61 3hj3 n PHE 499 Ca -0.01 0.57 -0.23 0.00 1.01 0.00 0.00 57.45 58.79 3hj3 n PHE 499 Cb 0.84 -2.38 -0.12 0.00 -0.01 0.00 0.00 39.48 37.82 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 0.84 1.26 0.38 -1.08 -0.14 -1.26 -5.04 119.74 114.71 3hj3 s LYS 500 Ca 0.85 -1.36 0.19 0.00 -1.36 0.00 0.00 55.97 54.30 3hj3 s LYS 500 Cb -0.92 -1.40 1.16 0.00 -1.68 0.00 0.00 37.83 34.99 3hj3 s LYS 500 CO 0.47 0.30 1.70 2.35 -0.76 0.00 0.00 175.35 179.41 3hj3 h TRP 501 N 3.46 0.74 0.00 3.18 -0.00 -1.97 0.46 115.95 121.82 3hj3 h TRP 501 Ca -0.44 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.43 3hj3 h TRP 501 Cb 1.20 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 30.15 3hj3 h TRP 501 CO 0.66 -0.07 -0.25 0.93 -0.00 0.00 0.00 178.44 179.71 3hj3 h GLU 502 N 0.32 0.00 0.00 2.65 3.07 -2.01 -2.41 114.58 116.21 3hj3 h GLU 502 Ca 0.69 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.55 3hj3 h GLU 502 Cb 1.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.69 3hj3 h GLU 502 CO -0.43 0.25 0.00 -0.25 -1.40 0.00 0.00 179.01 177.19 3hj3 n ASP 503 N -4.01 0.00 -4.35 1.42 10.43 0.16 -4.77 116.55 115.44 3hj3 n ASP 503 Ca -0.02 -0.58 -0.32 0.00 2.57 0.00 0.00 54.79 56.45 3hj3 n ASP 503 Cb 0.32 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.13 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 -2.00 2.41 -0.21 0.53 1.01 -0.91 -0.02 121.20 122.01 3hj3 s ILE 504 Ca 0.09 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3hj3 s ILE 504 Cb 0.04 -1.90 0.05 0.00 0.01 0.00 0.00 42.46 40.66 3hj3 s ILE 504 CO 0.07 0.58 -0.10 -0.70 0.00 0.00 0.00 174.94 174.78 3hj3 s GLU 505 N -0.42 2.08 -0.38 2.79 2.12 0.45 -4.89 118.70 120.45 3hj3 s GLU 505 Ca 0.04 -0.95 -0.18 0.00 0.36 0.00 0.00 54.97 54.24 3hj3 s GLU 505 Cb -0.12 -2.53 0.01 0.00 0.26 0.00 0.00 34.13 31.75 3hj3 s GLU 505 CO 0.01 -0.46 0.53 -0.51 -0.54 0.00 0.00 175.26 174.29 3hj3 s LEU 506 N 1.34 4.45 -0.34 2.70 1.43 -1.26 -1.51 118.68 125.49 3hj3 s LEU 506 Ca -0.03 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 3hj3 s LEU 506 Cb -0.17 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.50 3hj3 s LEU 506 CO -0.08 -0.55 0.14 -0.63 0.23 0.00 0.00 176.35 175.46 3hj3 s ILE 507 N 2.43 4.09 -0.32 -0.59 1.01 -0.74 -4.67 121.20 122.40 3hj3 s ILE 507 Ca 0.18 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 3hj3 s ILE 507 Cb -0.15 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 3hj3 s ILE 507 CO 0.14 -0.16 0.27 0.61 0.00 0.00 0.00 174.94 175.80 3hj3 n GLY 508 N 4.88 0.24 3.35 6.18 0.00 -1.26 -1.51 105.19 117.07 3hj3 n GLY 508 Ca -0.12 -0.28 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.10 3.29 -0.58 1.61 6.04 -1.26 -4.09 117.35 119.25 3hj3 s TYR 509 Ca 0.02 -1.37 -0.02 0.00 0.04 0.00 0.00 57.07 55.74 3hj3 s TYR 509 Cb -0.00 -3.92 0.15 0.00 -1.04 0.00 0.00 41.96 37.15 3hj3 s TYR 509 CO 0.20 -1.14 0.38 0.71 -1.54 0.00 0.00 175.55 174.16 3hj3 s TYR 510 N 1.68 3.41 0.35 4.97 2.02 -1.26 -5.06 117.35 123.46 3hj3 s TYR 510 Ca 0.12 -2.75 0.08 0.00 -0.37 0.00 0.00 57.07 54.14 3hj3 s TYR 510 Cb -0.21 -3.15 -0.03 0.00 -0.40 0.00 0.00 41.96 38.18 3hj3 s TYR 510 CO 0.00 -0.85 0.30 -1.25 -1.57 0.00 0.00 175.55 172.18 3hj3 s PRO 511 N 0.07 2.68 0.95 -1.71 0.04 -1.26 -4.81 135.00 130.96 3hj3 s PRO 511 Ca 0.16 -1.35 -0.14 0.00 0.04 0.00 0.00 61.00 59.71 3hj3 s PRO 511 Cb -0.21 -2.45 0.17 0.00 0.04 0.00 0.00 34.50 32.05 3hj3 s PRO 511 CO -0.03 0.05 1.20 0.71 0.04 0.00 0.00 177.00 178.97 3hj3 s TYR 512 N -2.34 2.00 0.89 0.56 1.51 0.81 -4.88 117.35 115.91 3hj3 s TYR 512 Ca 0.42 0.61 -0.12 0.00 -1.01 0.00 0.00 57.07 56.97 3hj3 s TYR 512 Cb -0.05 -3.65 0.09 0.00 -0.11 0.00 0.00 41.96 38.23 3hj3 s TYR 512 CO 0.27 -2.57 0.89 -2.30 -1.11 0.00 0.00 175.55 170.73 3hj3 n PRO 513 N -3.83 -0.23 -2.21 -1.71 -0.02 -1.26 -2.86 135.00 122.88 3hj3 n PRO 513 Ca 0.11 -0.01 -0.40 0.00 -2.02 0.00 0.00 63.50 61.18 3hj3 n PRO 513 Cb 0.60 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3hj3 n PRO 513 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3hj3 s THR 514 N -2.41 2.91 -0.30 3.45 -1.32 -1.26 -3.58 115.64 113.13 3hj3 s THR 514 Ca 0.65 0.91 -0.05 0.00 -1.21 0.00 0.00 61.69 61.99 3hj3 s THR 514 Cb -0.24 -3.58 0.03 0.00 -1.51 0.00 0.00 72.50 67.19 3hj3 s THR 514 CO 0.59 0.21 0.05 -0.63 -2.21 0.00 0.00 174.62 172.64 3hj3 s ILE 515 N -1.16 3.60 0.17 5.08 1.01 -1.26 -4.91 121.20 123.72 3hj3 s ILE 515 Ca 0.48 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 3hj3 s ILE 515 Cb -0.38 -2.93 -0.08 0.00 0.01 0.00 0.00 42.46 39.08 3hj3 s ILE 515 CO 0.50 -0.00 1.34 -0.54 0.00 0.00 0.00 174.94 176.23 3hj3 s LYS 516 N 1.41 4.36 -0.07 2.79 -0.14 -1.26 -5.03 119.74 121.80 3hj3 s LYS 516 Ca -0.00 2.07 -0.06 0.00 -1.36 0.00 0.00 55.97 56.61 3hj3 s LYS 516 Cb -0.18 -3.21 0.02 0.00 -1.68 0.00 0.00 37.83 32.78 3hj3 s LYS 516 CO 0.01 -0.33 0.19 -1.64 -0.76 0.00 0.00 175.35 172.82 3hj3 s MET 517 N 0.36 0.22 -0.03 1.68 -1.94 -1.26 -4.95 119.30 113.38 3hj3 s MET 517 Ca 0.60 0.28 -0.21 0.00 -1.71 0.00 0.00 55.69 54.65 3hj3 s MET 517 Cb -0.37 0.09 -0.05 0.00 2.01 0.00 0.00 34.83 36.51 3hj3 s MET 517 CO 0.35 -0.04 0.60 -0.51 -0.01 0.00 0.00 175.02 175.42 3hj3 s ASP 518 N 0.19 6.95 0.47 3.03 1.01 -1.26 -5.03 116.67 122.03 3hj3 s ASP 518 Ca -0.01 1.13 -0.23 0.00 0.71 0.00 0.00 52.55 54.15 3hj3 s ASP 518 Cb -0.02 -2.37 -0.07 0.00 1.01 0.00 0.00 42.92 41.47 3hj3 s ASP 518 CO -0.00 0.05 1.21 -0.32 0.21 0.00 0.00 175.17 176.31 3hj3 s MET 519 N 0.10 3.66 -0.37 8.23 -2.45 -1.26 -4.99 119.30 122.22 3hj3 s MET 519 Ca 0.32 1.87 -0.11 0.00 -1.25 0.00 0.00 55.69 56.52 3hj3 s MET 519 Cb -0.18 -2.40 0.02 0.00 1.25 0.00 0.00 34.83 33.53 3hj3 s MET 519 CO 0.17 -0.66 0.21 0.00 1.05 0.00 0.00 175.02 175.78 3hj3 s ALA 520 N -1.49 3.30 -2.00 4.11 0.00 -1.26 -5.18 121.76 119.24 3hj3 s ALA 520 Ca 0.65 -1.67 0.11 0.00 0.00 0.00 0.00 51.96 51.05 3hj3 s ALA 520 Cb -0.31 -2.59 0.63 0.00 0.00 0.00 0.00 23.12 20.85 3hj3 s ALA 520 CO 0.38 -1.31 1.07 0.28 0.00 0.00 0.00 175.76 176.18