#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 0.61 0.19 5.31 2.20 -1.26 -5.00 119.74 121.80 3hj3 s LYS 4 Ca 0.00 0.63 -0.31 0.00 -0.36 0.00 0.00 55.97 55.94 3hj3 s LYS 4 Cb 0.00 0.30 -0.09 0.00 -1.51 0.00 0.00 37.83 36.52 3hj3 s LYS 4 CO 0.00 -0.09 1.42 1.21 -0.36 0.00 0.00 175.35 177.53 3hj3 s ASN 5 N 0.07 6.73 -0.24 1.43 2.47 -1.26 -4.93 114.94 119.21 3hj3 s ASN 5 Ca 0.01 2.53 -0.02 0.00 0.42 0.00 0.00 52.86 55.81 3hj3 s ASN 5 Cb -0.04 -2.61 0.02 0.00 -1.45 0.00 0.00 41.25 37.17 3hj3 s ASN 5 CO -0.03 -0.68 -0.07 -0.69 -3.72 0.00 0.00 177.10 171.92 3hj3 s VAL 6 N 0.46 2.87 -0.07 -5.21 1.01 -1.26 -1.97 120.40 116.22 3hj3 s VAL 6 Ca 0.62 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3hj3 s VAL 6 Cb -0.40 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3hj3 s VAL 6 CO 0.37 0.23 -0.20 -0.44 0.00 0.00 0.00 175.10 175.06 3hj3 s SER 7 N 1.33 2.63 0.45 3.32 0.01 -0.59 0.48 113.70 121.32 3hj3 s SER 7 Ca 0.01 -0.46 -0.21 0.00 1.31 0.00 0.00 55.95 56.60 3hj3 s SER 7 Cb -0.16 -1.04 -0.10 0.00 0.21 0.00 0.00 66.02 64.93 3hj3 s SER 7 CO -0.05 0.15 0.97 -0.63 0.41 0.00 0.00 173.24 174.09 3hj3 s ILE 8 N 0.27 4.29 -0.14 1.44 1.01 0.30 -0.17 121.20 128.20 3hj3 s ILE 8 Ca -0.13 1.40 -0.03 0.00 0.00 0.00 0.00 60.65 61.90 3hj3 s ILE 8 Cb -0.16 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 38.78 3hj3 s ILE 8 CO 0.06 -0.33 0.04 -0.69 0.00 0.00 0.00 174.94 174.02 3hj3 s VAL 9 N -2.18 0.24 0.03 2.92 1.01 -1.00 -0.98 120.40 120.45 3hj3 s VAL 9 Ca 0.63 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 3hj3 s VAL 9 Cb -0.10 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 3hj3 s VAL 9 CO 0.15 -0.06 0.14 0.54 0.00 0.00 0.00 175.10 175.88 3hj3 s VAL 10 N 2.00 0.11 -0.16 2.92 0.11 -0.63 -4.63 120.40 120.12 3hj3 s VAL 10 Ca 0.02 -0.93 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 3hj3 s VAL 10 Cb -0.15 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 3hj3 s VAL 10 CO -0.07 -0.51 -0.20 0.00 -3.33 0.00 0.00 175.10 170.98 3hj3 s ALA 11 N -2.30 2.26 0.03 1.54 0.00 -1.26 -0.05 121.76 121.98 3hj3 s ALA 11 Ca -0.07 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.76 3hj3 s ALA 11 Cb -0.03 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 3hj3 s ALA 11 CO -0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 175.76 175.45 3hj3 s ALA 12 N 1.10 0.42 0.39 0.00 0.00 0.67 -4.58 121.76 119.76 3hj3 s ALA 12 Ca -0.00 -0.67 -0.27 0.00 0.00 0.00 0.00 51.96 51.02 3hj3 s ALA 12 Cb -0.14 0.07 -0.09 0.00 0.00 0.00 0.00 23.12 22.96 3hj3 s ALA 12 CO -0.08 -0.06 1.29 -1.54 0.00 0.00 0.00 175.76 175.37 3hj3 s SER 13 N -1.45 6.44 0.13 0.00 1.04 -1.01 -0.01 113.70 118.85 3hj3 s SER 13 Ca -0.11 2.64 -0.25 0.00 0.48 0.00 0.00 55.95 58.71 3hj3 s SER 13 Cb -0.09 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 3hj3 s SER 13 CO -0.00 -0.76 1.64 1.62 0.98 0.00 0.00 173.24 176.72 3hj3 h VAL 14 N 2.59 0.43 0.06 5.02 3.04 -0.67 -0.04 116.25 126.67 3hj3 h VAL 14 Ca -0.49 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.04 3hj3 h VAL 14 Cb 1.24 0.43 0.02 0.00 -2.01 0.00 0.00 31.29 30.96 3hj3 h VAL 14 CO 0.63 0.00 -0.65 -0.07 -1.01 0.00 0.00 177.57 176.48 3hj3 h LEU 15 N -0.34 0.47 -2.63 3.16 3.38 -1.92 -3.40 115.31 114.03 3hj3 h LEU 15 Ca 0.08 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.21 3hj3 h LEU 15 Cb 0.46 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hj3 h LEU 15 CO -0.27 1.26 0.00 -1.54 0.09 0.00 0.00 178.44 177.99 3hj3 n SER 16 N -4.21 2.03 -3.07 -0.43 3.41 -1.22 -4.99 113.62 105.14 3hj3 n SER 16 Ca -0.12 -1.84 -0.20 0.00 -0.26 0.00 0.00 58.87 56.46 3hj3 n SER 16 Cb 0.71 -0.04 0.07 0.00 -0.26 0.00 0.00 64.21 64.69 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 -0.19 -5.67 -4.66 4.04 7.64 -0.03 -4.77 113.62 109.97 3hj3 n SER 17 Ca 0.02 -0.45 -0.43 0.00 1.01 0.00 0.00 58.87 59.03 3hj3 n SER 17 Cb 0.25 -4.28 -0.02 0.00 -1.01 0.00 0.00 64.21 59.15 3hj3 n SER 17 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hj3 s GLY 18 N -3.26 1.70 0.00 0.23 0.00 -1.26 -0.15 107.32 104.58 3hj3 s GLY 18 Ca 0.49 0.32 0.05 0.00 0.00 0.00 0.00 44.72 45.58 3hj3 s GLY 18 CO 0.60 2.33 0.44 0.29 0.00 0.00 0.00 173.10 176.76 3hj3 n ILE 19 N 5.31 0.00 -3.57 0.90 -5.35 0.38 -2.40 119.36 114.64 3hj3 n ILE 19 Ca 0.13 -0.44 -0.09 0.00 -0.27 0.00 0.00 62.75 62.08 3hj3 n ILE 19 Cb 0.46 1.06 -0.04 0.00 -1.74 0.00 0.00 39.64 39.37 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 -0.99 -0.29 -0.10 3.28 0.00 -1.00 -4.62 107.32 103.59 3hj3 s GLY 20 Ca 0.04 1.78 -0.05 0.00 0.00 0.00 0.00 44.72 46.50 3hj3 s GLY 20 CO 0.14 0.80 0.23 -1.50 0.00 0.00 0.00 173.10 172.77 3hj3 s ILE 21 N -1.76 -0.07 -1.45 0.90 1.10 0.17 -0.77 121.20 119.32 3hj3 s ILE 21 Ca 0.02 0.17 -0.11 0.00 -0.51 0.00 0.00 60.65 60.22 3hj3 s ILE 21 Cb -0.01 -0.36 0.05 0.00 0.15 0.00 0.00 42.46 42.30 3hj3 s ILE 21 CO -0.02 0.07 1.04 0.59 -2.11 0.00 0.00 174.94 174.51 3hj3 n ASN 22 N 4.31 -5.09 0.00 4.50 3.02 -1.26 -0.83 115.26 119.91 3hj3 n ASN 22 Ca -0.24 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3hj3 n ASN 22 Cb 0.52 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 3hj3 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hj3 n GLY 23 N -1.79 0.98 3.63 7.41 0.00 -1.26 -5.00 105.19 109.16 3hj3 n GLY 23 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3hj3 n GLY 23 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hj3 s GLN 24 N -0.18 2.06 0.71 1.61 -0.21 -0.01 -4.83 119.66 118.81 3hj3 s GLN 24 Ca 0.00 -2.29 -0.13 0.00 0.02 0.00 0.00 55.36 52.96 3hj3 s GLN 24 Cb 0.00 -1.03 0.02 0.00 1.00 0.00 0.00 33.01 33.01 3hj3 s GLN 24 CO 0.00 -0.43 1.11 -0.51 -2.12 0.00 0.00 175.29 173.34 3hj3 s LEU 25 N -3.73 3.26 0.00 2.90 1.43 -1.26 0.46 118.68 121.74 3hj3 s LEU 25 Ca 0.15 1.98 0.25 0.00 -1.03 0.00 0.00 54.13 55.48 3hj3 s LEU 25 Cb 0.02 -4.55 1.10 0.00 0.03 0.00 0.00 46.19 42.80 3hj3 s LEU 25 CO 0.09 -1.85 1.81 -2.65 0.23 0.00 0.00 176.35 173.98 3hj3 n PRO 26 N -2.83 0.07 -3.72 1.29 -0.02 -1.26 -4.58 135.00 123.95 3hj3 n PRO 26 Ca 0.10 0.07 -0.09 0.00 -2.02 0.00 0.00 63.50 61.56 3hj3 n PRO 26 Cb 0.52 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.47 3hj3 n PRO 26 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3hj3 s TRP 27 N -2.92 -0.23 -0.23 6.00 -2.14 -1.26 -5.08 118.94 113.08 3hj3 s TRP 27 Ca 0.14 -0.13 -0.02 0.00 2.66 0.00 0.00 56.10 58.75 3hj3 s TRP 27 Cb 0.16 0.55 0.01 0.00 -3.10 0.00 0.00 33.47 31.10 3hj3 s TRP 27 CO 0.44 -1.04 -0.07 -1.54 -2.66 0.00 0.00 176.95 172.09 3hj3 s SER 28 N -2.87 4.15 -0.25 -2.66 1.04 -1.26 -5.09 113.70 106.76 3hj3 s SER 28 Ca 0.09 -0.64 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 3hj3 s SER 28 Cb -0.03 -1.67 0.08 0.00 0.10 0.00 0.00 66.02 64.50 3hj3 s SER 28 CO -0.01 -0.07 0.06 -0.63 0.98 0.00 0.00 173.24 173.58 3hj3 s ILE 29 N 1.39 0.66 0.13 -1.02 1.01 -1.26 -5.03 121.20 117.07 3hj3 s ILE 29 Ca 0.03 -0.93 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 3hj3 s ILE 29 Cb -0.15 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 3hj3 s ILE 29 CO -0.05 -0.42 1.64 0.77 0.00 0.00 0.00 174.94 176.87 3hj3 h SER 30 N 8.18 0.57 -0.99 3.58 4.64 -2.00 -1.24 113.55 126.29 3hj3 h SER 30 Ca -0.16 -0.22 0.25 0.00 -0.47 0.00 0.00 61.79 61.19 3hj3 h SER 30 Cb 1.07 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 62.93 3hj3 h SER 30 CO 0.40 0.64 0.65 -0.33 -0.87 0.00 0.00 176.83 177.32 3hj3 h GLU 31 N 0.48 0.34 -0.14 4.77 3.07 -1.98 0.36 114.58 121.48 3hj3 h GLU 31 Ca 0.12 -0.02 -0.20 0.00 -0.50 0.00 0.00 59.36 58.76 3hj3 h GLU 31 Cb 0.28 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3hj3 h GLU 31 CO -0.00 0.23 -0.72 0.22 -1.40 0.00 0.00 179.01 177.34 3hj3 h ASP 32 N 0.35 0.75 -0.53 1.42 3.58 -1.67 0.60 116.42 120.93 3hj3 h ASP 32 Ca 0.53 -0.48 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 3hj3 h ASP 32 Cb 1.44 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 3hj3 h ASP 32 CO -0.21 1.25 0.22 -0.07 -2.88 0.00 0.00 179.24 177.54 3hj3 h LEU 33 N 0.45 0.72 -0.46 2.28 3.38 -0.29 0.19 115.31 121.59 3hj3 h LEU 33 Ca -0.03 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.83 3hj3 h LEU 33 Cb 1.32 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 3hj3 h LEU 33 CO 0.14 0.69 0.19 0.11 0.09 0.00 0.00 178.44 179.66 3hj3 h LYS 34 N 0.71 0.37 -0.30 1.13 1.57 -0.22 0.12 116.57 119.96 3hj3 h LYS 34 Ca 0.18 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3hj3 h LYS 34 Cb 0.19 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3hj3 h LYS 34 CO -0.02 0.25 0.18 0.35 -0.57 0.00 0.00 179.45 179.64 3hj3 h PHE 35 N 0.38 0.34 -0.92 -1.35 3.57 -0.49 0.70 116.94 119.17 3hj3 h PHE 35 Ca 0.21 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.86 3hj3 h PHE 35 Cb 0.18 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 3hj3 h PHE 35 CO -0.13 0.20 0.59 0.35 -2.23 0.00 0.00 178.31 177.09 3hj3 h PHE 36 N 0.37 0.92 0.01 0.41 3.04 0.06 -0.33 116.94 121.41 3hj3 h PHE 36 Ca 0.11 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 3hj3 h PHE 36 Cb -0.01 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.21 3hj3 h PHE 36 CO -0.07 0.35 -0.01 1.03 -2.02 0.00 0.00 178.31 177.59 3hj3 h SER 37 N 0.78 -0.01 0.14 0.41 0.87 0.44 -2.46 113.55 113.73 3hj3 h SER 37 Ca 0.46 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3hj3 h SER 37 Cb 0.64 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3hj3 h SER 37 CO -0.22 0.45 -0.12 0.11 -0.53 0.00 0.00 176.83 176.52 3hj3 h LYS 38 N -0.48 -0.26 -0.64 2.24 1.79 -0.30 -1.15 116.57 117.76 3hj3 h LYS 38 Ca -0.00 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 3hj3 h LYS 38 Cb 0.46 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 3hj3 h LYS 38 CO 0.00 -0.18 0.30 0.82 -1.08 0.00 0.00 179.45 179.32 3hj3 h ILE 39 N -0.27 1.22 0.00 1.86 5.03 -1.16 -0.32 117.51 123.86 3hj3 h ILE 39 Ca -0.00 -0.64 -0.17 0.00 -0.12 0.00 0.00 64.86 63.92 3hj3 h ILE 39 Cb 0.25 0.45 -0.02 0.00 -3.03 0.00 0.00 36.82 34.47 3hj3 h ILE 39 CO -0.01 0.26 -0.81 0.71 -0.68 0.00 0.00 178.15 177.61 3hj3 h THR 40 N 0.89 1.58 0.05 -0.27 1.35 -1.40 -3.24 112.91 111.88 3hj3 h THR 40 Ca 0.22 -2.79 -0.26 0.00 -0.55 0.00 0.00 66.41 63.03 3hj3 h THR 40 Cb 0.13 2.51 0.01 0.00 -1.73 0.00 0.00 68.15 69.07 3hj3 h THR 40 CO -0.03 0.80 -1.09 0.78 -0.25 0.00 0.00 175.52 175.73 3hj3 h ASN 41 N 0.00 0.70 -1.30 5.36 4.21 -1.08 -3.43 115.58 120.05 3hj3 h ASN 41 Ca -0.01 -0.60 -0.77 0.00 1.21 0.00 0.00 56.30 56.13 3hj3 h ASN 41 Cb 1.44 -0.22 0.03 0.00 -1.12 0.00 0.00 38.32 38.46 3hj3 h ASN 41 CO 0.11 1.42 0.49 -3.20 -1.29 0.00 0.00 177.43 174.95 3hj3 n ASN 42 N -3.75 1.22 -3.55 5.81 5.15 -0.14 -4.86 115.26 115.13 3hj3 n ASN 42 Ca -0.10 1.14 -0.10 0.00 -0.60 0.00 0.00 54.58 54.92 3hj3 n ASN 42 Cb 0.91 -1.03 -0.04 0.00 -0.53 0.00 0.00 39.78 39.09 3hj3 n ASN 42 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3hj3 s LYS 43 N 1.58 0.67 0.00 1.20 -2.85 -1.26 -4.96 119.74 114.12 3hj3 s LYS 43 Ca 0.94 0.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.92 3hj3 s LYS 43 Cb -1.20 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 34.89 3hj3 s LYS 43 CO 0.62 -0.24 0.36 0.00 0.10 0.00 0.00 175.35 176.19 3hj3 s ASP 45 N -2.51 6.19 0.00 0.00 -1.08 -1.26 -4.87 116.67 113.14 3hj3 s ASP 45 Ca 0.00 1.57 0.20 0.00 -0.52 0.00 0.00 52.55 53.80 3hj3 s ASP 45 Cb 0.00 -2.53 1.05 0.00 -1.46 0.00 0.00 42.92 39.98 3hj3 s ASP 45 CO 0.00 -1.42 1.69 -1.54 0.52 0.00 0.00 175.17 174.42 3hj3 n SER 46 N 9.11 0.42 -1.30 -0.34 3.41 -1.26 -3.27 113.62 120.40 3hj3 n SER 46 Ca 0.21 -1.47 0.12 0.00 -0.26 0.00 0.00 58.87 57.46 3hj3 n SER 46 Cb 0.46 -0.02 0.30 0.00 -0.26 0.00 0.00 64.21 64.68 3hj3 n SER 46 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hj3 n ASN 47 N -0.52 3.78 -4.67 4.04 5.03 -1.26 -4.91 115.26 116.76 3hj3 n ASN 47 Ca 0.15 -2.00 -0.24 0.00 0.87 0.00 0.00 54.58 53.37 3hj3 n ASN 47 Cb 0.13 -0.44 -0.07 0.00 -1.02 0.00 0.00 39.78 38.38 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 -1.12 2.24 0.10 3.52 1.02 -1.20 -4.93 119.74 119.38 3hj3 s LYS 48 Ca 0.47 -1.59 0.09 0.00 0.02 0.00 0.00 55.97 54.96 3hj3 s LYS 48 Cb 0.25 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 3hj3 s LYS 48 CO 0.33 0.19 -0.23 0.15 -0.92 0.00 0.00 175.35 174.87 3hj3 s LYS 49 N -3.75 1.22 0.23 1.68 1.02 -0.24 -4.88 119.74 115.02 3hj3 s LYS 49 Ca 0.35 -1.20 -0.21 0.00 0.02 0.00 0.00 55.97 54.94 3hj3 s LYS 49 Cb -0.03 -1.53 -0.08 0.00 -0.52 0.00 0.00 37.83 35.66 3hj3 s LYS 49 CO 0.21 0.36 0.75 -0.80 -0.92 0.00 0.00 175.35 174.95 3hj3 s ASN 50 N -1.89 7.10 -0.20 2.83 0.01 -1.26 -1.92 114.94 119.61 3hj3 s ASN 50 Ca 0.08 1.47 -0.14 0.00 -0.71 0.00 0.00 52.86 53.56 3hj3 s ASN 50 Cb -0.10 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 3hj3 s ASN 50 CO 0.05 0.03 0.32 0.00 -1.51 0.00 0.00 177.10 175.98 3hj3 s ALA 51 N -1.51 3.58 -0.47 0.60 0.00 0.88 -1.78 121.76 123.05 3hj3 s ALA 51 Ca 0.43 -0.59 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 3hj3 s ALA 51 Cb -0.17 -2.50 0.08 0.00 0.00 0.00 0.00 23.12 20.53 3hj3 s ALA 51 CO 0.21 -0.18 0.39 -0.51 0.00 0.00 0.00 175.76 175.68 3hj3 s LEU 52 N 1.04 5.62 0.01 0.00 1.43 0.41 -0.72 118.68 126.47 3hj3 s LEU 52 Ca 0.16 -1.40 -0.29 0.00 -1.03 0.00 0.00 54.13 51.57 3hj3 s LEU 52 Cb -0.14 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 3hj3 s LEU 52 CO 0.06 -0.65 0.93 -0.63 0.23 0.00 0.00 176.35 176.29 3hj3 s ILE 53 N 1.61 4.83 0.11 -0.59 1.01 0.39 -1.42 121.20 127.14 3hj3 s ILE 53 Ca 0.04 1.97 -0.07 0.00 0.00 0.00 0.00 60.65 62.58 3hj3 s ILE 53 Cb -0.25 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 3hj3 s ILE 53 CO 0.06 0.21 0.18 0.00 0.00 0.00 0.00 174.94 175.38 3hj3 s MET 54 N 0.78 0.92 0.45 2.79 0.23 0.44 -0.37 119.30 124.53 3hj3 s MET 54 Ca 0.49 -1.11 -0.13 0.00 -1.03 0.00 0.00 55.69 53.91 3hj3 s MET 54 Cb -0.21 0.33 -0.07 0.00 -1.53 0.00 0.00 34.83 33.35 3hj3 s MET 54 CO 0.27 -0.30 0.86 0.20 -2.03 0.00 0.00 175.02 174.02 3hj3 s GLY 55 N -2.92 2.00 0.25 3.16 0.00 -0.77 -0.87 107.32 108.17 3hj3 s GLY 55 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 44.72 44.74 3hj3 s GLY 55 CO -0.06 0.18 1.87 -0.09 0.00 0.00 0.00 173.10 175.00 3hj3 h ARG 56 N 1.14 1.03 0.00 2.90 2.43 -1.75 0.11 114.38 120.25 3hj3 h ARG 56 Ca -0.47 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.62 3hj3 h ARG 56 Cb 1.19 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3hj3 h ARG 56 CO 0.63 0.68 -0.09 0.87 -1.51 0.00 0.00 179.97 180.55 3hj3 h LYS 57 N 1.06 0.00 0.02 0.20 1.57 -1.94 0.40 116.57 117.89 3hj3 h LYS 57 Ca 0.39 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.12 3hj3 h LYS 57 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3hj3 h LYS 57 CO -0.16 0.09 -0.20 1.15 -0.57 0.00 0.00 179.45 179.76 3hj3 h THR 58 N 0.00 1.67 -0.98 -0.16 2.02 -1.22 -2.51 112.91 111.73 3hj3 h THR 58 Ca -0.00 -2.23 0.11 0.00 0.77 0.00 0.00 66.41 65.07 3hj3 h THR 58 Cb 0.17 3.16 -0.13 0.00 -1.74 0.00 0.00 68.15 69.60 3hj3 h THR 58 CO 0.01 0.59 -0.50 1.87 0.37 0.00 0.00 175.52 177.87 3hj3 n TRP 59 N -4.51 -0.24 -0.10 3.16 -0.00 0.12 0.38 117.44 116.23 3hj3 n TRP 59 Ca -0.11 1.22 0.26 0.00 -0.00 0.00 0.00 57.50 58.87 3hj3 n TRP 59 Cb 0.53 -0.70 0.72 0.00 -0.00 0.00 0.00 31.31 31.87 3hj3 n TRP 59 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 3hj3 h ASP 60 N 0.00 0.00 1.26 5.87 3.32 -0.20 -2.47 116.42 124.21 3hj3 h ASP 60 Ca 0.23 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 3hj3 h ASP 60 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3hj3 h ASP 60 CO -0.94 0.00 -0.76 -1.28 -1.72 0.00 0.00 179.24 174.54 3hj3 h SER 61 N 0.00 0.00 -0.64 6.45 0.87 0.39 -3.21 113.55 117.41 3hj3 h SER 61 Ca 0.36 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.52 3hj3 h SER 61 Cb 1.53 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 63.25 3hj3 h SER 61 CO -0.00 0.18 0.03 2.30 -0.53 0.00 0.00 176.83 178.80 3hj3 n ILE 62 N -2.90 2.84 -1.10 2.23 -5.35 -1.02 -4.91 119.36 109.15 3hj3 n ILE 62 Ca -0.01 -3.03 -0.04 0.00 -0.27 0.00 0.00 62.75 59.41 3hj3 n ILE 62 Cb 0.62 -0.69 -0.02 0.00 -1.74 0.00 0.00 39.64 37.82 3hj3 n ILE 62 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hj3 n GLY 63 N -1.00 0.65 3.09 3.28 0.00 -1.21 -2.63 105.19 107.37 3hj3 n GLY 63 Ca 0.45 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.71 -2.52 -3.83 1.61 1.74 -0.95 -4.89 116.66 105.12 3hj3 n ARG 64 Ca -0.04 0.20 -0.36 0.00 -0.77 0.00 0.00 57.85 56.89 3hj3 n ARG 64 Cb 0.14 -4.78 -0.11 0.00 -1.02 0.00 0.00 32.46 26.69 3hj3 n ARG 64 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3hj3 s ARG 65 N -5.67 3.80 0.93 5.56 3.52 -1.08 -5.07 118.95 120.94 3hj3 s ARG 65 Ca 0.25 -0.41 -0.10 0.00 -0.13 0.00 0.00 55.73 55.34 3hj3 s ARG 65 Cb -0.14 -3.33 0.16 0.00 -1.56 0.00 0.00 34.95 30.07 3hj3 s ARG 65 CO 0.31 -0.04 1.14 -1.25 -0.81 0.00 0.00 175.30 174.65 3hj3 s PRO 66 N 1.24 0.85 -0.17 5.12 0.04 -1.26 -5.00 135.00 135.82 3hj3 s PRO 66 Ca 0.05 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 62.53 3hj3 s PRO 66 Cb -0.14 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 3hj3 s PRO 66 CO 0.04 -2.74 0.08 -0.51 0.04 0.00 0.00 177.00 173.91 3hj3 s LEU 67 N -6.67 3.96 0.15 -3.56 1.43 -1.26 -5.05 118.68 107.68 3hj3 s LEU 67 Ca 0.67 0.18 -0.34 0.00 -1.03 0.00 0.00 54.13 53.60 3hj3 s LEU 67 Cb -0.23 -1.99 -0.15 0.00 0.03 0.00 0.00 46.19 43.85 3hj3 s LEU 67 CO 0.58 0.23 1.39 1.17 0.23 0.00 0.00 176.35 179.96 3hj3 n LYS 68 N 3.17 1.61 -0.61 1.70 4.81 -1.26 -2.63 118.16 124.95 3hj3 n LYS 68 Ca -0.17 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 3hj3 n LYS 68 Cb 0.53 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.34 3hj3 n LYS 68 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3hj3 n ASN 69 N 2.64 0.00 -4.40 3.14 3.02 -1.26 -4.94 115.26 113.46 3hj3 n ASN 69 Ca 0.16 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.45 3hj3 n ASN 69 Cb 0.25 -1.26 -0.12 0.00 -0.61 0.00 0.00 39.78 38.05 3hj3 n ASN 69 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hj3 s ARG 70 N -0.45 1.45 -0.32 3.52 0.52 -1.08 -4.57 118.95 118.02 3hj3 s ARG 70 Ca 0.00 -1.46 -0.12 0.00 -0.52 0.00 0.00 55.73 53.64 3hj3 s ARG 70 Cb 0.00 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.66 3hj3 s ARG 70 CO 0.00 0.39 0.21 0.42 0.02 0.00 0.00 175.30 176.34 3hj3 s ILE 71 N -1.55 5.14 0.28 1.52 1.01 -0.73 -4.58 121.20 122.29 3hj3 s ILE 71 Ca 0.18 -0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.40 3hj3 s ILE 71 Cb -0.08 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 3hj3 s ILE 71 CO 0.08 0.08 0.93 -0.63 0.00 0.00 0.00 174.94 175.41 3hj3 s ILE 72 N 1.71 4.17 -0.20 2.92 1.01 -0.04 -0.45 121.20 130.32 3hj3 s ILE 72 Ca 0.06 1.92 -0.00 0.00 0.00 0.00 0.00 60.65 62.62 3hj3 s ILE 72 Cb -0.17 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.22 3hj3 s ILE 72 CO 0.10 0.30 -0.04 -0.69 0.00 0.00 0.00 174.94 174.61 3hj3 s VAL 73 N -1.43 1.18 -0.16 2.92 1.01 -0.50 -1.19 120.40 122.23 3hj3 s VAL 73 Ca 0.46 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 3hj3 s VAL 73 Cb -0.22 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3hj3 s VAL 73 CO 0.27 -0.03 0.13 -0.69 0.00 0.00 0.00 175.10 174.78 3hj3 s VAL 74 N 1.57 5.44 -0.23 2.92 1.01 0.58 -0.42 120.40 131.27 3hj3 s VAL 74 Ca -0.02 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 3hj3 s VAL 74 Cb -0.17 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 3hj3 s VAL 74 CO -0.07 0.53 0.18 -0.63 0.00 0.00 0.00 175.10 175.11 3hj3 s ILE 75 N -0.34 5.35 -0.03 2.22 -1.09 -0.05 -0.77 121.20 126.50 3hj3 s ILE 75 Ca 0.11 0.23 -0.29 0.00 -2.23 0.00 0.00 60.65 58.47 3hj3 s ILE 75 Cb -0.12 -3.52 0.07 0.00 -1.58 0.00 0.00 42.46 37.31 3hj3 s ILE 75 CO 0.01 0.35 0.64 -0.55 -1.23 0.00 0.00 174.94 174.16 3hj3 s SER 76 N 0.94 -0.61 0.28 3.58 0.15 -0.52 -1.95 113.70 115.57 3hj3 s SER 76 Ca 0.09 0.60 0.23 0.00 0.70 0.00 0.00 55.95 57.57 3hj3 s SER 76 Cb -0.13 0.52 0.16 0.00 -1.71 0.00 0.00 66.02 64.86 3hj3 s SER 76 CO 0.04 -0.62 1.27 0.77 1.20 0.00 0.00 173.24 175.90 3hj3 h SER 77 N 3.00 0.00 0.00 5.45 4.64 -1.84 -3.34 113.55 121.46 3hj3 h SER 77 Ca -0.28 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3hj3 h SER 77 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3hj3 h SER 77 CO 0.39 0.01 -0.91 -1.20 -0.87 0.00 0.00 176.83 174.25 3hj3 n SER 78 N -2.76 0.19 -3.91 4.97 7.64 -1.26 -5.00 113.62 113.49 3hj3 n SER 78 Ca 0.02 0.03 -0.53 0.00 1.01 0.00 0.00 58.87 59.40 3hj3 n SER 78 Cb 0.53 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.59 3hj3 n SER 78 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hj3 n LEU 79 N -3.10 0.29 -4.73 -3.43 4.77 -1.26 -4.86 117.00 104.68 3hj3 n LEU 79 Ca -0.01 1.00 -0.42 0.00 -0.03 0.00 0.00 56.01 56.55 3hj3 n LEU 79 Cb 0.45 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 3hj3 n LEU 79 CO 0.00 -1.37 0.98 -2.16 -1.33 0.00 0.00 177.39 173.51 3hj3 s PRO 80 N 0.74 4.39 -0.71 3.23 0.04 -1.26 -4.94 135.00 136.49 3hj3 s PRO 80 Ca 0.81 2.00 -0.26 0.00 0.04 0.00 0.00 61.00 63.60 3hj3 s PRO 80 Cb -1.14 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 30.14 3hj3 s PRO 80 CO 0.55 -0.28 1.86 -0.65 0.04 0.00 0.00 177.00 178.52 3hj3 s GLN 81 N 0.33 2.64 0.00 4.56 -0.21 -1.26 -4.89 119.66 120.83 3hj3 s GLN 81 Ca 0.58 0.28 0.00 0.00 0.02 0.00 0.00 55.36 56.25 3hj3 s GLN 81 Cb -0.35 -4.60 0.00 0.00 1.00 0.00 0.00 33.01 29.06 3hj3 s GLN 81 CO 0.35 -2.89 0.00 -0.40 -2.12 0.00 0.00 175.29 170.23 3hj3 n ASP 82 N 12.92 0.00 0.00 5.90 5.68 -1.26 -5.04 116.55 134.75 3hj3 n ASP 82 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.55 3hj3 n ASP 82 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 3hj3 n ASP 82 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3hj3 n GLU 83 N 0.00 0.00 -0.22 0.11 -0.58 -1.26 -4.99 120.64 113.70 3hj3 n GLU 83 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 3hj3 n GLU 83 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 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 0.00 -0.44 -3.31 0.62 0.00 -1.97 -3.41 119.26 110.76 3hj3 h ALA 84 Ca 0.00 0.09 -0.64 0.00 0.00 0.00 0.00 54.91 54.36 3hj3 h ALA 84 Cb 0.00 1.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.65 3hj3 h ALA 84 CO 0.00 -0.89 -0.63 0.34 0.00 0.00 0.00 179.25 178.07 3hj3 s ASP 85 N -5.18 5.11 0.08 0.00 -1.08 -1.26 -5.02 116.67 109.32 3hj3 s ASP 85 Ca -0.14 -0.01 0.23 0.00 -0.52 0.00 0.00 52.55 52.11 3hj3 s ASP 85 Cb 0.12 -1.75 0.14 0.00 -1.46 0.00 0.00 42.92 39.96 3hj3 s ASP 85 CO 0.65 0.22 1.11 -0.81 0.52 0.00 0.00 175.17 176.86 3hj3 n PRO 86 N 3.20 0.31 -0.08 4.34 -0.04 -1.26 -4.07 135.00 137.40 3hj3 n PRO 86 Ca -0.17 0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.34 3hj3 n PRO 86 Cb 0.53 -1.63 0.07 0.00 -0.04 0.00 0.00 33.50 32.42 3hj3 n PRO 86 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hj3 n ASN 87 N -2.04 0.88 -3.67 3.54 3.02 -1.26 -4.75 115.26 110.98 3hj3 n ASN 87 Ca 0.02 -2.01 -0.11 0.00 -0.03 0.00 0.00 54.58 52.45 3hj3 n ASN 87 Cb 0.44 -0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.37 3hj3 n ASN 87 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hj3 s VAL 88 N -1.77 -0.43 0.09 2.41 1.01 -1.26 -0.86 120.40 119.60 3hj3 s VAL 88 Ca 0.10 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.30 3hj3 s VAL 88 Cb 0.05 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3hj3 s VAL 88 CO 0.06 0.08 -0.07 0.54 0.00 0.00 0.00 175.10 175.71 3hj3 s VAL 89 N 2.27 0.71 -0.01 2.92 0.11 -0.33 -4.82 120.40 121.24 3hj3 s VAL 89 Ca -0.02 -1.71 0.05 0.00 -2.93 0.00 0.00 61.98 57.38 3hj3 s VAL 89 Cb -0.11 -1.40 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 3hj3 s VAL 89 CO -0.11 -0.71 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.09 3hj3 s VAL 90 N -2.94 1.35 0.12 2.04 1.01 -1.26 -0.31 120.40 120.41 3hj3 s VAL 90 Ca 0.06 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3hj3 s VAL 90 Cb 0.01 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3hj3 s VAL 90 CO -0.03 0.38 -0.11 -0.36 0.00 0.00 0.00 175.10 174.99 3hj3 s PHE 91 N -0.39 1.20 -1.22 5.22 0.08 0.05 -4.91 117.98 118.01 3hj3 s PHE 91 Ca 0.06 -0.70 0.26 0.00 0.12 0.00 0.00 56.93 56.68 3hj3 s PHE 91 Cb -0.07 -0.63 0.75 0.00 -0.57 0.00 0.00 43.02 42.50 3hj3 s PHE 91 CO -0.01 0.06 1.57 0.54 -0.10 0.00 0.00 175.22 177.28 3hj3 n ARG 92 N 0.19 0.24 -3.48 0.44 5.12 -1.25 -1.43 116.66 116.49 3hj3 n ARG 92 Ca -0.13 -0.12 -0.10 0.00 -1.93 0.00 0.00 57.85 55.56 3hj3 n ARG 92 Cb 0.59 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.37 3hj3 n ARG 92 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hj3 s ASN 93 N -2.84 -0.46 0.11 0.55 4.22 -1.26 -4.67 114.94 110.59 3hj3 s ASN 93 Ca 0.16 0.07 -0.15 0.00 -2.14 0.00 0.00 52.86 50.80 3hj3 s ASN 93 Cb 0.18 0.47 -0.05 0.00 1.28 0.00 0.00 41.25 43.12 3hj3 s ASN 93 CO 0.61 -0.73 1.49 0.25 -2.04 0.00 0.00 177.10 176.69 3hj3 h LEU 94 N 2.10 0.70 -0.54 3.54 5.85 -1.99 -2.68 115.31 122.29 3hj3 h LEU 94 Ca -0.26 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.15 3hj3 h LEU 94 Cb 1.25 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 3hj3 h LEU 94 CO 0.34 0.94 0.16 -0.08 -0.34 0.00 0.00 178.44 179.45 3hj3 h GLU 95 N 0.47 0.30 -0.02 1.25 4.81 -1.97 -1.88 114.58 117.55 3hj3 h GLU 95 Ca 0.08 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 3hj3 h GLU 95 Cb 0.66 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3hj3 h GLU 95 CO 0.04 0.20 -0.69 -0.44 -0.73 0.00 0.00 179.01 177.40 3hj3 h ASP 96 N 0.31 0.10 0.00 1.04 5.19 -1.98 -2.37 116.42 118.71 3hj3 h ASP 96 Ca 0.27 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3hj3 h ASP 96 Cb 0.35 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3hj3 h ASP 96 CO -0.31 0.75 0.17 -1.54 -3.12 0.00 0.00 179.24 175.19 3hj3 n SER 97 N -3.76 0.00 -4.40 6.45 3.41 -0.71 -4.30 113.62 110.31 3hj3 n SER 97 Ca -0.02 0.23 -0.32 0.00 -0.26 0.00 0.00 58.87 58.50 3hj3 n SER 97 Cb 0.67 -0.23 -0.14 0.00 -0.26 0.00 0.00 64.21 64.25 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 -2.38 2.78 0.00 -1.33 1.01 -0.89 -3.43 121.20 116.96 3hj3 s ILE 98 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3hj3 s ILE 98 Cb 0.00 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.39 3hj3 s ILE 98 CO 0.00 0.57 0.00 -1.84 0.00 0.00 0.00 174.94 173.67 3hj3 n GLU 99 N 2.71 0.00 -0.24 2.79 -0.00 -1.26 -4.80 120.64 119.83 3hj3 n GLU 99 Ca -0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 57.16 56.92 3hj3 n GLU 99 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 31.44 31.90 3hj3 n GLU 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3hj3 n ASN 100 N 0.00 -0.61 0.00 -1.84 3.02 -1.22 -4.20 115.26 110.41 3hj3 n ASN 100 Ca 0.00 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 3hj3 n ASN 100 Cb 0.00 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 3hj3 n ASN 100 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hj3 n LEU 101 N -4.63 0.00 -4.30 3.41 4.77 -1.26 -4.18 117.00 110.82 3hj3 n LEU 101 Ca 0.01 0.27 -0.57 0.00 -0.03 0.00 0.00 56.01 55.69 3hj3 n LEU 101 Cb 0.15 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 3hj3 n LEU 101 CO -0.09 0.00 1.76 0.80 -1.33 0.00 0.00 177.39 178.53 3hj3 n MET 102 N -0.31 0.21 0.00 3.23 1.56 -1.26 -4.57 117.12 115.98 3hj3 n MET 102 Ca 0.00 0.06 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 3hj3 n MET 102 Cb 0.00 -1.69 0.00 0.00 2.15 0.00 0.00 33.22 33.68 3hj3 n MET 102 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 3hj3 n ASN 103 N 8.10 0.00 -1.47 6.12 2.04 -1.26 -4.48 115.26 124.30 3hj3 n ASN 103 Ca 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.67 3hj3 n ASN 103 Cb 0.02 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.27 3hj3 n ASN 103 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 3hj3 n ASP 104 N 0.12 0.00 0.00 0.53 10.43 -1.26 -4.65 116.55 121.72 3hj3 n ASP 104 Ca 0.00 0.00 0.01 0.00 2.57 0.00 0.00 54.79 57.37 3hj3 n ASP 104 Cb 0.00 0.00 0.06 0.00 1.84 0.00 0.00 41.12 43.02 3hj3 n ASP 104 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3hj3 n ASP 105 N 0.84 0.00 -0.14 -2.24 8.00 -1.26 -0.42 116.55 121.33 3hj3 n ASP 105 Ca 0.00 0.48 0.08 0.00 0.71 0.00 0.00 54.79 56.06 3hj3 n ASP 105 Cb 0.00 -0.49 0.41 0.00 -0.02 0.00 0.00 41.12 41.02 3hj3 n ASP 105 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hj3 n SER 106 N -1.49 0.41 -4.18 -2.24 3.41 -1.26 -4.62 113.62 103.65 3hj3 n SER 106 Ca 0.01 -1.60 -0.36 0.00 -0.26 0.00 0.00 58.87 56.66 3hj3 n SER 106 Cb 0.03 -0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3hj3 n SER 106 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hj3 s ILE 107 N -1.94 3.25 -0.05 -1.33 -1.09 0.44 -1.08 121.20 119.41 3hj3 s ILE 107 Ca 0.24 -1.48 -0.05 0.00 -2.23 0.00 0.00 60.65 57.13 3hj3 s ILE 107 Cb 0.12 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 38.02 3hj3 s ILE 107 CO 0.19 -0.26 0.27 -0.08 -1.23 0.00 0.00 174.94 173.82 3hj3 h GLU 108 N 8.06 -0.18 -6.13 2.79 4.81 -1.64 -3.48 114.58 118.81 3hj3 h GLU 108 Ca -0.20 0.01 -0.56 0.00 -0.13 0.00 0.00 59.36 58.49 3hj3 h GLU 108 Cb 1.06 0.04 -0.19 0.00 0.63 0.00 0.00 28.75 30.30 3hj3 h GLU 108 CO 0.59 -0.12 -0.80 -0.80 -0.73 0.00 0.00 179.01 177.15 3hj3 s ASN 109 N -4.60 2.83 -0.14 1.04 0.01 -1.26 -4.55 114.94 108.27 3hj3 s ASN 109 Ca -0.03 -0.83 0.00 0.00 -0.71 0.00 0.00 52.86 51.29 3hj3 s ASN 109 Cb 0.00 -0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.48 3hj3 s ASN 109 CO 0.08 0.02 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.92 3hj3 s ILE 110 N -1.80 2.85 -0.08 0.60 1.01 -0.83 -0.09 121.20 122.87 3hj3 s ILE 110 Ca 0.15 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.13 3hj3 s ILE 110 Cb -0.07 -2.20 -0.00 0.00 0.01 0.00 0.00 42.46 40.19 3hj3 s ILE 110 CO 0.07 0.52 -0.24 -0.36 0.00 0.00 0.00 174.94 174.93 3hj3 s PHE 111 N 0.59 2.44 -0.50 3.97 0.08 0.11 -1.55 117.98 123.11 3hj3 s PHE 111 Ca -0.08 -0.86 -0.20 0.00 0.12 0.00 0.00 56.93 55.91 3hj3 s PHE 111 Cb -0.16 -1.62 0.05 0.00 -0.57 0.00 0.00 43.02 40.73 3hj3 s PHE 111 CO 0.03 -0.31 0.67 0.08 -0.10 0.00 0.00 175.22 175.59 3hj3 s VAL 112 N 0.10 4.80 -1.23 -0.44 1.01 0.75 -0.46 120.40 124.93 3hj3 s VAL 112 Ca -0.11 -0.32 0.19 0.00 0.00 0.00 0.00 61.98 61.74 3hj3 s VAL 112 Cb -0.16 -4.32 -0.14 0.00 0.00 0.00 0.00 36.38 31.77 3hj3 s VAL 112 CO 0.06 -0.82 0.88 0.00 0.00 0.00 0.00 175.10 175.22 3hj3 n GLY 114 N 1.41 0.45 0.87 0.00 0.00 -1.24 -4.90 105.19 101.79 3hj3 n GLY 114 Ca 0.05 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -4.12 0.35 -0.02 0.00 -1.26 -1.84 105.19 98.29 3hj3 n GLY 115 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 1.35 -0.06 -0.89 1.61 4.81 -1.98 -0.54 114.58 118.89 3hj3 h GLU 116 Ca 0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 3hj3 h GLU 116 Cb 0.00 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.32 3hj3 h GLU 116 CO 0.00 -0.04 0.57 0.66 -0.73 0.00 0.00 179.01 179.48 3hj3 h SER 117 N -0.06 0.60 0.04 1.04 4.64 -1.91 0.14 113.55 118.04 3hj3 h SER 117 Ca 0.32 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3hj3 h SER 117 Cb 0.59 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3hj3 h SER 117 CO -0.84 0.29 -0.02 0.40 -0.87 0.00 0.00 176.83 175.79 3hj3 h ILE 118 N 0.63 1.33 -0.33 0.95 1.08 -1.40 -2.81 117.51 116.96 3hj3 h ILE 118 Ca 0.45 -1.40 0.07 0.00 -0.39 0.00 0.00 64.86 63.60 3hj3 h ILE 118 Cb 0.81 2.22 -0.08 0.00 -3.07 0.00 0.00 36.82 36.71 3hj3 h ILE 118 CO -0.21 0.34 -0.22 1.88 -0.69 0.00 0.00 178.15 179.25 3hj3 h TYR 119 N -0.70 -0.58 -0.89 1.37 0.05 -0.44 -1.43 116.97 114.35 3hj3 h TYR 119 Ca -0.01 0.04 0.13 0.00 0.05 0.00 0.00 58.73 58.94 3hj3 h TYR 119 Cb 0.61 0.31 -0.07 0.00 1.01 0.00 0.00 36.73 38.59 3hj3 h TYR 119 CO 0.13 -0.30 0.57 -0.09 -1.05 0.00 0.00 178.16 177.42 3hj3 h ARG 120 N -0.19 0.73 -0.15 4.88 2.43 -0.81 -1.58 114.38 119.69 3hj3 h ARG 120 Ca 0.17 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 59.07 3hj3 h ARG 120 Cb 0.45 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3hj3 h ARG 120 CO -0.44 0.48 -0.77 -0.44 -1.51 0.00 0.00 179.97 177.30 3hj3 h ASP 121 N 0.75 0.91 -0.40 -3.80 3.45 -1.05 -1.58 116.42 114.70 3hj3 h ASP 121 Ca 0.44 -0.59 -0.04 0.00 0.43 0.00 0.00 57.03 57.27 3hj3 h ASP 121 Cb 0.62 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.10 3hj3 h ASP 121 CO -0.20 1.38 0.10 0.00 -1.57 0.00 0.00 179.24 178.95 3hj3 h ALA 122 N 0.60 0.53 -0.37 3.45 0.00 -0.37 -0.45 119.26 122.66 3hj3 h ALA 122 Ca -0.05 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 3hj3 h ALA 122 Cb 1.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3hj3 h ALA 122 CO 0.16 0.21 -0.37 -0.07 0.00 0.00 0.00 179.25 179.18 3hj3 h LEU 123 N 0.51 0.96 -0.73 0.00 -0.00 -1.41 -0.36 115.31 114.28 3hj3 h LEU 123 Ca 0.13 -0.47 -0.09 0.00 -0.00 0.00 0.00 57.88 57.45 3hj3 h LEU 123 Cb 0.31 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 3hj3 h LEU 123 CO 0.00 1.23 -0.04 0.50 -0.00 0.00 0.00 178.44 180.13 3hj3 h LYS 124 N 0.71 0.93 -0.63 1.13 3.64 -1.11 -2.77 116.57 118.46 3hj3 h LYS 124 Ca 0.06 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3hj3 h LYS 124 Cb 0.96 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3hj3 h LYS 124 CO 0.09 0.94 0.00 -0.25 -2.27 0.00 0.00 179.45 177.96 3hj3 n ASP 125 N -4.18 4.05 -3.83 4.20 10.43 -0.19 -4.94 116.55 122.09 3hj3 n ASP 125 Ca 0.02 -2.38 -0.24 0.00 2.57 0.00 0.00 54.79 54.76 3hj3 n ASP 125 Cb 0.35 -0.53 0.01 0.00 1.84 0.00 0.00 41.12 42.79 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 0.88 -0.94 0.01 -2.24 4.05 -0.86 -4.90 115.26 111.25 3hj3 n ASN 126 Ca 0.21 -0.90 0.11 0.00 0.45 0.00 0.00 54.58 54.45 3hj3 n ASN 126 Cb 0.77 -3.59 -0.14 0.00 1.23 0.00 0.00 39.78 38.05 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 -4.35 0.14 -3.80 1.20 0.99 -0.20 -4.98 117.46 106.46 3hj3 n PHE 127 Ca -0.29 0.04 -0.36 0.00 -0.00 0.00 0.00 57.45 56.84 3hj3 n PHE 127 Cb 0.67 -0.52 -0.06 0.00 -1.00 0.00 0.00 39.48 38.57 3hj3 n PHE 127 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3hj3 s VAL 128 N -3.45 5.39 -0.17 -4.37 0.11 -1.25 -4.65 120.40 112.01 3hj3 s VAL 128 Ca -0.05 0.27 0.13 0.00 -2.93 0.00 0.00 61.98 59.39 3hj3 s VAL 128 Cb 0.14 -3.49 -0.19 0.00 -1.53 0.00 0.00 36.38 31.30 3hj3 s VAL 128 CO 0.89 0.54 0.03 0.47 -3.33 0.00 0.00 175.10 173.70 3hj3 n ASP 129 N 1.69 1.13 -4.00 3.54 10.43 0.18 -4.81 116.55 124.72 3hj3 n ASP 129 Ca -0.17 -0.01 -0.12 0.00 2.57 0.00 0.00 54.79 57.06 3hj3 n ASP 129 Cb 0.54 0.77 -0.12 0.00 1.84 0.00 0.00 41.12 44.15 3hj3 n ASP 129 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3hj3 s ARG 130 N -2.40 0.38 -0.15 -1.24 3.52 -1.10 0.56 118.95 118.51 3hj3 s ARG 130 Ca -0.10 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 3hj3 s ARG 130 Cb 0.05 -0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.32 3hj3 s ARG 130 CO 0.65 0.02 -0.15 0.42 -0.81 0.00 0.00 175.30 175.43 3hj3 s ILE 131 N -1.05 1.63 -0.41 4.11 1.01 -0.49 -0.54 121.20 125.46 3hj3 s ILE 131 Ca -0.09 -0.68 -0.15 0.00 0.00 0.00 0.00 60.65 59.73 3hj3 s ILE 131 Cb -0.08 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.88 3hj3 s ILE 131 CO -0.00 0.45 0.30 -0.31 0.00 0.00 0.00 174.94 175.38 3hj3 s TYR 132 N 1.46 3.24 -0.23 3.97 1.51 -0.15 -1.29 117.35 125.86 3hj3 s TYR 132 Ca 0.05 -0.55 -0.02 0.00 -1.01 0.00 0.00 57.07 55.53 3hj3 s TYR 132 Cb -0.13 -2.60 0.01 0.00 -0.11 0.00 0.00 41.96 39.14 3hj3 s TYR 132 CO -0.11 -0.58 -0.07 -1.17 -1.11 0.00 0.00 175.55 172.52 3hj3 s LEU 133 N 1.71 2.99 -0.59 -1.29 0.20 0.10 -1.61 118.68 120.18 3hj3 s LEU 133 Ca 0.05 -0.67 -0.21 0.00 0.69 0.00 0.00 54.13 53.99 3hj3 s LEU 133 Cb -0.19 -1.68 0.07 0.00 -0.43 0.00 0.00 46.19 43.97 3hj3 s LEU 133 CO 0.10 -0.08 0.84 -0.89 -0.29 0.00 0.00 176.35 176.03 3hj3 s THR 134 N 1.38 4.55 -0.17 3.68 2.01 0.92 -2.14 115.64 125.87 3hj3 s THR 134 Ca 0.03 -0.41 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 3hj3 s THR 134 Cb -0.15 -4.54 -0.01 0.00 0.01 0.00 0.00 72.50 67.81 3hj3 s THR 134 CO -0.05 -1.20 1.20 -0.13 -0.69 0.00 0.00 174.62 173.75 3hj3 s ARG 135 N 3.47 4.25 -0.16 4.92 0.52 -0.53 -0.24 118.95 131.19 3hj3 s ARG 135 Ca 0.20 1.59 -0.04 0.00 -0.52 0.00 0.00 55.73 56.96 3hj3 s ARG 135 Cb -0.18 -3.71 -0.03 0.00 0.52 0.00 0.00 34.95 31.55 3hj3 s ARG 135 CO 0.11 -0.66 -0.04 0.08 0.02 0.00 0.00 175.30 174.82 3hj3 s VAL 136 N 3.29 3.86 -1.20 3.52 1.01 0.99 0.20 120.40 132.07 3hj3 s VAL 136 Ca 0.52 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 3hj3 s VAL 136 Cb -0.20 -2.69 0.22 0.00 0.00 0.00 0.00 36.38 33.70 3hj3 s VAL 136 CO 0.13 0.49 1.80 0.00 0.00 0.00 0.00 175.10 177.51 3hj3 n ALA 137 N 3.63 5.51 -3.67 5.51 0.00 0.14 0.07 120.51 131.70 3hj3 n ALA 137 Ca -0.17 -4.48 -0.16 0.00 0.00 0.00 0.00 53.44 48.62 3hj3 n ALA 137 Cb 0.52 -2.69 -0.15 0.00 0.00 0.00 0.00 19.45 17.13 3hj3 n ALA 137 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3hj3 s LEU 138 N -1.54 -0.06 0.00 0.00 2.34 -1.26 -4.57 118.68 113.59 3hj3 s LEU 138 Ca 0.38 0.37 0.00 0.00 0.06 0.00 0.00 54.13 54.94 3hj3 s LEU 138 Cb 0.10 0.34 0.00 0.00 -0.56 0.00 0.00 46.19 46.07 3hj3 s LEU 138 CO 0.02 -0.24 0.34 1.21 -1.06 0.00 0.00 176.35 176.63 3hj3 n GLU 139 N 5.26 -0.19 -3.11 1.48 4.07 -1.26 -4.78 120.64 122.10 3hj3 n GLU 139 Ca -0.06 -0.39 -0.29 0.00 -0.06 0.00 0.00 57.16 56.36 3hj3 n GLU 139 Cb 0.50 -0.77 -0.05 0.00 -0.06 0.00 0.00 31.44 31.07 3hj3 n GLU 139 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3hj3 n ASP 140 N -0.04 4.60 -4.09 4.31 9.92 -1.26 -5.00 116.55 124.99 3hj3 n ASP 140 Ca 0.00 -3.58 -0.10 0.00 -0.53 0.00 0.00 54.79 50.59 3hj3 n ASP 140 Cb 0.16 -0.71 -0.09 0.00 -0.64 0.00 0.00 41.12 39.84 3hj3 n ASP 140 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3hj3 s ILE 141 N -3.56 0.08 0.25 0.53 -4.36 -1.26 -5.14 121.20 107.73 3hj3 s ILE 141 Ca 0.43 -1.73 -0.28 0.00 -0.26 0.00 0.00 60.65 58.82 3hj3 s ILE 141 Cb 0.20 -2.03 -0.09 0.00 1.25 0.00 0.00 42.46 41.79 3hj3 s ILE 141 CO -0.07 -0.34 0.91 -0.70 0.24 0.00 0.00 174.94 174.98 3hj3 s GLU 142 N -4.03 4.72 0.02 0.37 2.12 -1.26 -5.05 118.70 115.60 3hj3 s GLU 142 Ca 0.23 1.38 0.03 0.00 0.36 0.00 0.00 54.97 56.97 3hj3 s GLU 142 Cb 0.06 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 3hj3 s GLU 142 CO 0.03 0.45 -0.09 -0.06 -0.54 0.00 0.00 175.26 175.05 3hj3 s PHE 143 N -1.31 0.74 0.00 5.30 0.08 -1.26 -4.78 117.98 116.75 3hj3 s PHE 143 Ca 0.43 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.17 3hj3 s PHE 143 Cb -0.23 -0.45 0.00 0.00 -0.57 0.00 0.00 43.02 41.77 3hj3 s PHE 143 CO 0.28 -0.03 0.35 -0.40 -0.10 0.00 0.00 175.22 175.32 3hj3 n ASP 144 N 2.15 0.69 -3.87 1.36 5.68 0.05 -5.00 116.55 117.61 3hj3 n ASP 144 Ca -0.18 -0.95 -0.19 0.00 -0.50 0.00 0.00 54.79 52.97 3hj3 n ASP 144 Cb 0.56 0.06 -0.16 0.00 -1.14 0.00 0.00 41.12 40.43 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 -0.06 0.43 0.17 2.12 2.01 -0.63 -4.98 115.64 114.71 3hj3 s THR 145 Ca 0.00 -0.06 0.11 0.00 0.31 0.00 0.00 61.69 62.04 3hj3 s THR 145 Cb 0.00 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 3hj3 s THR 145 CO 0.00 0.20 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.59 3hj3 s TYR 146 N 0.92 2.18 -0.02 4.92 2.02 -1.26 0.14 117.35 126.26 3hj3 s TYR 146 Ca -0.11 -0.38 -0.28 0.00 -0.37 0.00 0.00 57.07 55.93 3hj3 s TYR 146 Cb -0.14 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.28 3hj3 s TYR 146 CO -0.00 0.43 0.88 0.12 -1.57 0.00 0.00 175.55 175.41 3hj3 s PHE 147 N -1.61 3.64 0.87 2.71 2.19 0.78 -4.62 117.98 121.94 3hj3 s PHE 147 Ca 0.18 1.55 -0.11 0.00 0.33 0.00 0.00 56.93 58.88 3hj3 s PHE 147 Cb -0.08 -3.01 0.11 0.00 -1.31 0.00 0.00 43.02 38.74 3hj3 s PHE 147 CO 0.08 0.04 1.09 -1.25 1.83 0.00 0.00 175.22 177.01 3hj3 s PRO 148 N 0.89 1.46 0.09 10.12 0.04 -1.26 -4.88 135.00 141.45 3hj3 s PRO 148 Ca 0.47 1.03 -0.35 0.00 0.04 0.00 0.00 61.00 62.19 3hj3 s PRO 148 Cb -0.20 -1.82 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 3hj3 s PRO 148 CO 0.25 -2.16 1.57 0.39 0.04 0.00 0.00 177.00 177.08 3hj3 n GLU 149 N -3.86 1.88 -1.83 4.56 -0.58 -1.26 -4.90 120.64 114.64 3hj3 n GLU 149 Ca 0.08 0.68 -0.42 0.00 -0.42 0.00 0.00 57.16 57.08 3hj3 n GLU 149 Cb 0.54 -2.42 -0.03 0.00 -0.57 0.00 0.00 31.44 28.96 3hj3 n GLU 149 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3hj3 s ILE 150 N 1.31 2.28 0.68 -3.67 1.01 -1.26 -4.96 121.20 116.59 3hj3 s ILE 150 Ca 0.83 0.21 -0.13 0.00 0.00 0.00 0.00 60.65 61.55 3hj3 s ILE 150 Cb -0.76 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 38.58 3hj3 s ILE 150 CO 0.43 0.02 1.09 -2.84 0.00 0.00 0.00 174.94 173.64 3hj3 s PRO 151 N 0.55 2.80 0.36 2.79 0.02 -1.26 -4.94 135.00 135.32 3hj3 s PRO 151 Ca 0.69 1.23 0.10 0.00 0.02 0.00 0.00 61.00 63.03 3hj3 s PRO 151 Cb -0.47 -1.96 0.84 0.00 0.02 0.00 0.00 34.50 32.93 3hj3 s PRO 151 CO 0.37 -1.23 1.86 0.93 -0.33 0.00 0.00 177.00 178.61 3hj3 h GLU 152 N -0.28 0.65 0.00 5.54 5.08 -2.03 -0.06 114.58 123.47 3hj3 h GLU 152 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3hj3 h GLU 152 Cb 1.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3hj3 h GLU 152 CO 0.54 0.43 0.07 0.25 -1.00 0.00 0.00 179.01 179.30 3hj3 n THR 153 N -4.56 0.85 -4.42 1.13 -2.24 -1.26 -4.59 114.28 99.19 3hj3 n THR 153 Ca 0.18 0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.92 3hj3 n THR 153 Cb 0.49 -1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 67.34 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 -2.32 2.93 -0.00 4.78 0.08 -0.04 -0.01 117.98 123.40 3hj3 s PHE 154 Ca 0.00 -0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.06 3hj3 s PHE 154 Cb 0.00 -1.62 -0.01 0.00 -0.57 0.00 0.00 43.02 40.82 3hj3 s PHE 154 CO 0.00 0.39 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.94 3hj3 s LEU 155 N -1.44 2.01 0.09 -0.37 1.43 -0.55 -4.92 118.68 114.94 3hj3 s LEU 155 Ca 0.17 -0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 52.84 3hj3 s LEU 155 Cb -0.11 -0.33 -0.08 0.00 0.03 0.00 0.00 46.19 45.70 3hj3 s LEU 155 CO 0.08 0.08 1.40 -2.16 0.23 0.00 0.00 176.35 175.98 3hj3 s PRO 156 N -0.17 4.31 0.00 1.29 0.04 -1.26 -1.14 135.00 138.07 3hj3 s PRO 156 Ca 0.02 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.13 3hj3 s PRO 156 Cb -0.03 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.19 3hj3 s PRO 156 CO -0.00 -0.47 0.13 1.33 0.04 0.00 0.00 177.00 178.03 3hj3 n VAL 157 N 4.11 0.00 -3.73 -0.36 0.24 -0.26 -2.63 118.33 115.70 3hj3 n VAL 157 Ca 0.12 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 61.90 3hj3 n VAL 157 Cb 0.42 1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.50 -0.21 -0.22 6.34 5.04 -1.18 -3.44 117.35 123.17 3hj3 s TYR 158 Ca 0.00 0.28 -0.09 0.00 -2.44 0.00 0.00 57.07 54.82 3hj3 s TYR 158 Cb 0.00 0.13 0.09 0.00 0.35 0.00 0.00 41.96 42.53 3hj3 s TYR 158 CO 0.00 -0.44 0.50 1.41 -1.34 0.00 0.00 175.55 175.68 3hj3 s MET 159 N -1.62 0.44 0.80 4.97 -2.45 -0.56 -2.06 119.30 118.82 3hj3 s MET 159 Ca -0.11 1.09 -0.09 0.00 -1.25 0.00 0.00 55.69 55.32 3hj3 s MET 159 Cb -0.04 0.33 0.12 0.00 1.25 0.00 0.00 34.83 36.49 3hj3 s MET 159 CO 0.03 -0.20 1.12 -1.54 1.05 0.00 0.00 175.02 175.48 3hj3 s SER 160 N 2.24 4.19 1.03 1.11 1.04 -0.86 -2.30 113.70 120.14 3hj3 s SER 160 Ca -0.06 0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.56 3hj3 s SER 160 Cb -0.10 -0.71 0.20 0.00 0.10 0.00 0.00 66.02 65.52 3hj3 s SER 160 CO -0.15 -2.02 1.07 0.00 0.98 0.00 0.00 173.24 173.12 3hj3 s GLN 161 N -5.46 0.19 0.25 4.02 -2.07 -1.26 -3.24 119.66 112.09 3hj3 s GLN 161 Ca 0.66 0.88 -0.30 0.00 -1.82 0.00 0.00 55.36 54.78 3hj3 s GLN 161 Cb -0.08 -1.68 -0.09 0.00 -1.09 0.00 0.00 33.01 30.07 3hj3 s GLN 161 CO 0.48 -2.99 1.03 0.99 -1.32 0.00 0.00 175.29 173.48 3hj3 s THR 162 N -2.71 3.79 0.36 3.63 2.01 -1.26 -4.65 115.64 116.80 3hj3 s THR 162 Ca 0.66 1.76 0.09 0.00 0.31 0.00 0.00 61.69 64.51 3hj3 s THR 162 Cb -0.22 -4.12 -0.07 0.00 0.01 0.00 0.00 72.50 68.11 3hj3 s THR 162 CO 0.60 0.40 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.50 3hj3 s PHE 163 N -1.02 2.43 -0.03 4.92 0.40 -0.95 -4.61 117.98 119.12 3hj3 s PHE 163 Ca 0.44 -0.53 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 3hj3 s PHE 163 Cb -0.29 -1.46 -0.00 0.00 0.51 0.00 0.00 43.02 41.77 3hj3 s PHE 163 CO 0.37 0.56 -0.15 0.00 0.70 0.00 0.00 175.22 176.69 3hj3 s THR 165 N -0.04 -0.22 -1.50 0.00 2.01 -0.76 -4.88 115.64 110.26 3hj3 s THR 165 Ca -0.01 0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.10 3hj3 s THR 165 Cb -0.09 -0.42 0.04 0.00 0.01 0.00 0.00 72.50 72.04 3hj3 s THR 165 CO 0.01 -0.02 0.46 0.29 -0.69 0.00 0.00 174.62 174.67 3hj3 n LYS 166 N 5.31 -2.98 -0.73 4.92 5.02 -1.26 -0.02 118.16 128.42 3hj3 n LYS 166 Ca -0.05 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3hj3 n LYS 166 Cb 0.50 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 30.95 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 -2.90 0.00 -4.66 4.39 5.03 -1.26 -5.00 115.26 110.86 3hj3 n ASN 167 Ca -0.22 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 54.83 3hj3 n ASN 167 Cb 0.64 -1.07 -0.06 0.00 -1.02 0.00 0.00 39.78 38.27 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 -2.64 5.05 0.20 2.41 1.01 0.97 -4.78 121.20 123.41 3hj3 s ILE 168 Ca 0.00 1.11 -0.19 0.00 0.00 0.00 0.00 60.65 61.57 3hj3 s ILE 168 Cb 0.00 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 3hj3 s ILE 168 CO 0.00 0.14 0.69 -0.44 0.00 0.00 0.00 174.94 175.33 3hj3 s SER 169 N 1.17 7.02 -0.03 3.58 0.01 -1.26 -1.82 113.70 122.38 3hj3 s SER 169 Ca 0.27 1.35 -0.08 0.00 1.31 0.00 0.00 55.95 58.80 3hj3 s SER 169 Cb -0.16 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.69 3hj3 s SER 169 CO 0.10 0.06 0.19 -0.72 0.41 0.00 0.00 173.24 173.28 3hj3 s TYR 170 N -1.48 -0.08 0.46 2.43 1.13 -0.86 -0.68 117.35 118.27 3hj3 s TYR 170 Ca 0.41 0.17 -0.00 0.00 -1.41 0.00 0.00 57.07 56.24 3hj3 s TYR 170 Cb -0.17 0.02 -0.00 0.00 -1.10 0.00 0.00 41.96 40.71 3hj3 s TYR 170 CO 0.21 -0.24 0.69 -0.51 -2.51 0.00 0.00 175.55 173.18 3hj3 s ASP 171 N -0.85 5.82 0.46 -0.18 1.01 0.13 -2.23 116.67 120.83 3hj3 s ASP 171 Ca -0.09 0.31 0.04 0.00 0.71 0.00 0.00 52.55 53.53 3hj3 s ASP 171 Cb -0.05 -1.54 -0.04 0.00 1.01 0.00 0.00 42.92 42.29 3hj3 s ASP 171 CO 0.01 -0.72 0.04 -0.36 0.21 0.00 0.00 175.17 174.36 3hj3 s PHE 172 N -2.58 2.20 -0.30 4.23 0.08 -1.26 -1.45 117.98 118.90 3hj3 s PHE 172 Ca 0.49 -0.79 -0.18 0.00 0.12 0.00 0.00 56.93 56.56 3hj3 s PHE 172 Cb -0.10 -1.73 0.21 0.00 -0.57 0.00 0.00 43.02 40.83 3hj3 s PHE 172 CO 0.38 0.28 1.34 1.41 -0.10 0.00 0.00 175.22 178.53 3hj3 s MET 173 N -3.83 0.01 -0.04 0.44 1.75 -0.91 -2.02 119.30 114.70 3hj3 s MET 173 Ca 0.23 0.02 0.06 0.00 -1.25 0.00 0.00 55.69 54.74 3hj3 s MET 173 Cb 0.05 0.00 -0.02 0.00 2.84 0.00 0.00 34.83 37.70 3hj3 s MET 173 CO 0.12 -0.00 -0.20 0.42 -0.65 0.00 0.00 175.02 174.71 3hj3 s ILE 174 N 0.79 2.59 0.05 10.11 1.01 -0.88 0.03 121.20 134.90 3hj3 s ILE 174 Ca -0.04 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 59.77 3hj3 s ILE 174 Cb -0.03 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3hj3 s ILE 174 CO -0.11 0.59 -0.20 -0.36 0.00 0.00 0.00 174.94 174.86 3hj3 s PHE 175 N -0.65 1.73 -0.07 3.97 0.40 -0.41 -1.10 117.98 121.86 3hj3 s PHE 175 Ca 0.10 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 56.11 3hj3 s PHE 175 Cb -0.10 -1.02 -0.01 0.00 0.51 0.00 0.00 43.02 42.40 3hj3 s PHE 175 CO -0.00 0.10 -0.24 -2.00 0.70 0.00 0.00 175.22 173.78 3hj3 s GLU 176 N -1.26 2.58 -0.01 0.44 2.56 -0.29 -1.40 118.70 121.32 3hj3 s GLU 176 Ca 0.07 -0.86 -0.30 0.00 0.00 0.00 0.00 54.97 53.88 3hj3 s GLU 176 Cb -0.09 -2.12 -0.07 0.00 2.00 0.00 0.00 34.13 33.86 3hj3 s GLU 176 CO 0.02 0.31 1.73 0.21 -0.56 0.00 0.00 175.26 176.96 3hj3 s LYS 177 N 0.00 4.18 0.45 4.30 2.20 0.19 -1.48 119.74 129.58 3hj3 s LYS 177 Ca -0.08 2.31 -0.19 0.00 -0.36 0.00 0.00 55.97 57.65 3hj3 s LYS 177 Cb -0.15 -3.97 -0.10 0.00 -1.51 0.00 0.00 37.83 32.10 3hj3 s LYS 177 CO 0.05 -0.85 0.95 -1.14 -0.36 0.00 0.00 175.35 173.99 3hj3 s GLN 178 N 3.93 4.12 0.00 4.03 2.00 0.99 -4.97 119.66 129.76 3hj3 s GLN 178 Ca 0.77 1.03 0.00 0.00 -2.00 0.00 0.00 55.36 55.16 3hj3 s GLN 178 Cb -0.36 -2.18 0.00 0.00 0.80 0.00 0.00 33.01 31.26 3hj3 s GLN 178 CO 0.33 -0.09 0.00 -1.91 -0.50 0.00 0.00 175.29 173.11 3hj3 n GLU 179 N -0.93 3.67 0.00 1.67 4.07 -1.26 -4.94 120.64 122.92 3hj3 n GLU 179 Ca 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 3hj3 n GLU 179 Cb 0.54 -0.50 0.00 0.00 -0.06 0.00 0.00 31.44 31.42 3hj3 n GLU 179 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3hj3 n LYS 180 N -0.38 0.00 0.00 5.31 5.02 -1.26 -5.29 118.16 121.56 3hj3 n LYS 180 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hj3 n LYS 180 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3hj3 n LYS 180 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hj3 n GLN 192 N 0.00 0.00 -4.41 1.97 3.00 -1.26 -5.35 117.38 111.33 3hj3 n GLN 192 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 3hj3 n GLN 192 Cb 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 30.24 29.82 3hj3 n GLN 192 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3hj3 s LEU 193 N -4.34 2.30 0.17 1.08 2.01 -1.26 -5.01 118.68 113.63 3hj3 s LEU 193 Ca 0.00 -0.72 -0.10 0.00 0.01 0.00 0.00 54.13 53.32 3hj3 s LEU 193 Cb 0.00 -1.16 0.06 0.00 0.01 0.00 0.00 46.19 45.10 3hj3 s LEU 193 CO 0.00 0.16 1.64 0.50 1.01 0.00 0.00 176.35 179.67 3hj3 h LYS 194 N 4.00 1.01 -0.71 1.70 3.64 -2.04 -2.96 116.57 121.21 3hj3 h LYS 194 Ca -0.50 -0.30 0.05 0.00 -1.27 0.00 0.00 60.65 58.63 3hj3 h LYS 194 Cb 1.17 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 3hj3 h LYS 194 CO 0.40 0.98 0.42 0.66 -2.27 0.00 0.00 179.45 179.64 3hj3 h SER 195 N 0.91 0.66 -0.29 4.20 4.64 -1.97 0.34 113.55 122.05 3hj3 h SER 195 Ca 0.17 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.32 3hj3 h SER 195 Cb 0.50 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3hj3 h SER 195 CO 0.02 0.44 -0.55 0.40 -0.87 0.00 0.00 176.83 176.27 3hj3 h ILE 196 N 0.80 1.27 -0.11 0.95 2.04 -1.95 0.13 117.51 120.64 3hj3 h ILE 196 Ca 0.31 -1.73 -0.18 0.00 1.00 0.00 0.00 64.86 64.25 3hj3 h ILE 196 Cb 0.12 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3hj3 h ILE 196 CO -0.15 0.57 -0.70 0.44 0.00 0.00 0.00 178.15 178.31 3hj3 h ASP 197 N 0.67 0.55 -0.78 1.72 3.32 -1.48 -0.10 116.42 120.33 3hj3 h ASP 197 Ca 0.01 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 3hj3 h ASP 197 Cb 1.16 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 3hj3 h ASP 197 CO 0.12 1.09 0.39 0.44 -1.72 0.00 0.00 179.24 179.56 3hj3 h ASP 198 N 0.33 1.00 0.35 6.45 3.45 -0.10 -0.90 116.42 127.01 3hj3 h ASP 198 Ca -0.03 -0.12 -0.02 0.00 0.43 0.00 0.00 57.03 57.30 3hj3 h ASP 198 Cb 1.27 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.79 3hj3 h ASP 198 CO 0.12 0.84 -0.17 0.74 -1.57 0.00 0.00 179.24 179.20 3hj3 h THR 199 N 1.09 0.63 -0.82 0.35 2.02 -0.63 -2.15 112.91 113.39 3hj3 h THR 199 Ca 0.27 -0.51 0.13 0.00 0.77 0.00 0.00 66.41 67.08 3hj3 h THR 199 Cb 0.09 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 3hj3 h THR 199 CO -0.04 0.09 0.54 0.58 0.37 0.00 0.00 175.52 177.06 3hj3 h VAL 200 N -0.78 0.85 -0.21 3.16 2.07 -0.88 0.12 116.25 120.57 3hj3 h VAL 200 Ca -0.05 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 3hj3 h VAL 200 Cb 0.52 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3hj3 h VAL 200 CO 0.08 0.11 -0.45 0.44 0.02 0.00 0.00 177.57 177.77 3hj3 h ASP 201 N 0.60 0.58 0.41 0.57 3.45 -1.09 -1.09 116.42 119.84 3hj3 h ASP 201 Ca 0.40 -0.27 -0.20 0.00 0.43 0.00 0.00 57.03 57.39 3hj3 h ASP 201 Cb 0.70 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.30 3hj3 h ASP 201 CO -0.16 0.95 -0.83 -0.07 -1.57 0.00 0.00 179.24 177.56 3hj3 h LEU 202 N 0.43 0.39 -0.70 1.55 4.07 -0.20 -0.16 115.31 120.70 3hj3 h LEU 202 Ca 0.03 -0.29 -0.14 0.00 0.08 0.00 0.00 57.88 57.56 3hj3 h LEU 202 Cb 0.96 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 3hj3 h LEU 202 CO 0.09 1.06 -0.56 -0.07 -1.08 0.00 0.00 178.44 177.88 3hj3 h LEU 203 N 0.19 0.31 -0.70 1.67 4.07 -0.87 -1.77 115.31 118.21 3hj3 h LEU 203 Ca -0.05 -0.16 -0.07 0.00 0.08 0.00 0.00 57.88 57.68 3hj3 h LEU 203 Cb 1.43 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 43.05 3hj3 h LEU 203 CO 0.14 0.80 0.17 1.23 -1.08 0.00 0.00 178.44 179.70 3hj3 h GLY 204 N 1.37 1.20 0.76 0.83 0.00 -0.86 0.48 103.07 106.86 3hj3 h GLY 204 Ca 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.58 3hj3 h GLY 204 CO 0.09 0.70 -0.00 0.83 0.00 0.00 0.00 176.54 178.15 3hj3 h GLU 205 N 1.05 -0.01 0.16 4.80 5.08 -0.81 -1.53 114.58 123.33 3hj3 h GLU 205 Ca 0.22 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3hj3 h GLU 205 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3hj3 h GLU 205 CO 0.00 0.23 -0.23 0.82 -1.00 0.00 0.00 179.01 178.84 3hj3 h ILE 206 N -0.24 0.50 0.07 3.13 2.04 -1.24 -3.31 117.51 118.46 3hj3 h ILE 206 Ca -0.00 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.61 3hj3 h ILE 206 Cb 0.24 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3hj3 h ILE 206 CO 0.00 0.00 -1.09 0.00 0.00 0.00 0.00 178.15 177.06 3hj3 h ALA 207 N 0.29 0.24 -0.96 1.87 0.00 -0.94 -3.49 119.26 116.27 3hj3 h ALA 207 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3hj3 h ALA 207 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hj3 h ALA 207 CO -0.09 0.90 0.00 0.41 0.00 0.00 0.00 179.25 180.47 3hj3 n GLY 208 N 1.23 2.64 0.49 0.00 0.00 -0.58 -2.31 105.19 106.67 3hj3 n GLY 208 Ca -0.07 -0.40 0.28 0.00 0.00 0.00 0.00 46.02 45.83 3hj3 n GLY 208 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hj3 h ILE 209 N 0.00 0.15 -0.07 -0.61 2.04 -1.94 -1.57 117.51 115.51 3hj3 h ILE 209 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 3hj3 h ILE 209 Cb 0.00 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3hj3 h ILE 209 CO 0.00 0.00 -0.37 0.03 0.00 0.00 0.00 178.15 177.81 3hj3 h ARG 210 N 0.00 0.14 -6.08 2.37 3.08 -1.86 -3.41 114.38 108.61 3hj3 h ARG 210 Ca 0.42 -0.06 -0.57 0.00 0.07 0.00 0.00 59.98 59.84 3hj3 h ARG 210 Cb 2.31 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 32.29 3hj3 h ARG 210 CO -0.00 0.50 0.62 0.21 -1.07 0.00 0.00 179.97 180.23 3hj3 s LYS 211 N -4.20 4.31 0.26 0.04 2.20 -0.59 -4.96 119.74 116.79 3hj3 s LYS 211 Ca -0.04 1.27 -0.03 0.00 -0.36 0.00 0.00 55.97 56.81 3hj3 s LYS 211 Cb 0.14 -3.60 0.42 0.00 -1.51 0.00 0.00 37.83 33.28 3hj3 s LYS 211 CO 0.75 -0.46 1.84 1.98 -0.36 0.00 0.00 175.35 179.10 3hj3 h MET 212 N 7.34 0.94 -1.48 4.03 1.85 -1.87 0.41 114.93 126.15 3hj3 h MET 212 Ca -0.25 -0.06 0.43 0.00 -0.61 0.00 0.00 59.70 59.22 3hj3 h MET 212 Cb 1.10 -0.21 -0.07 0.00 0.43 0.00 0.00 31.60 32.85 3hj3 h MET 212 CO 0.90 0.62 1.04 0.78 -0.40 0.00 0.00 176.91 179.86 3hj3 h GLY 213 N 0.97 0.27 2.00 1.39 0.00 -1.93 0.20 103.07 105.97 3hj3 h GLY 213 Ca 0.42 -0.03 -0.16 0.00 0.00 0.00 0.00 47.33 47.57 3hj3 h GLY 213 CO -0.22 -0.07 -0.75 3.43 0.00 0.00 0.00 176.54 178.94 3hj3 h ASN 214 N 0.04 0.00 1.11 0.19 4.21 -0.45 -2.95 115.58 117.73 3hj3 h ASN 214 Ca 0.73 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 58.19 3hj3 h ASN 214 Cb 2.79 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.98 3hj3 h ASN 214 CO -0.09 0.75 -0.28 0.03 -1.29 0.00 0.00 177.43 176.56 3hj3 h ARG 215 N 0.00 0.00 -2.02 0.81 3.08 -0.66 -3.31 114.38 112.28 3hj3 h ARG 215 Ca -0.01 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.38 3hj3 h ARG 215 Cb 1.46 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 31.14 3hj3 h ARG 215 CO 0.10 0.28 -0.08 0.72 -1.07 0.00 0.00 179.97 179.91 3hj3 n HIS 216 N -3.34 3.47 -1.82 3.04 8.25 -0.67 -4.92 115.22 119.23 3hj3 n HIS 216 Ca 0.01 -3.22 -0.40 0.00 -0.26 0.00 0.00 57.72 53.84 3hj3 n HIS 216 Cb 0.50 -0.62 0.01 0.00 1.12 0.00 0.00 29.99 31.00 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 -3.75 3.92 0.33 -0.41 1.02 -1.21 -4.91 119.74 114.72 3hj3 s LYS 217 Ca 0.47 2.48 -0.29 0.00 0.02 0.00 0.00 55.97 58.65 3hj3 s LYS 217 Cb 0.32 -2.82 -0.12 0.00 -0.52 0.00 0.00 37.83 34.69 3hj3 s LYS 217 CO -0.19 -0.65 1.52 0.34 -0.92 0.00 0.00 175.35 175.44 3hj3 n PHE 218 N 0.16 2.82 -2.16 3.18 7.35 -1.26 -4.78 117.46 122.77 3hj3 n PHE 218 Ca 0.03 0.36 -0.38 0.00 -0.76 0.00 0.00 57.45 56.70 3hj3 n PHE 218 Cb 0.41 -2.55 -0.01 0.00 0.35 0.00 0.00 39.48 37.68 3hj3 n PHE 218 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3hj3 s PRO 219 N -1.22 3.87 0.23 -7.13 0.02 -1.26 -4.99 135.00 124.52 3hj3 s PRO 219 Ca 0.59 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 63.28 3hj3 s PRO 219 Cb -0.50 -2.60 -0.09 0.00 0.02 0.00 0.00 34.50 31.32 3hj3 s PRO 219 CO 0.56 -0.51 1.31 0.15 -0.33 0.00 0.00 177.00 178.17 3hj3 s LYS 220 N -2.43 4.39 0.26 5.54 1.02 -1.26 -4.87 119.74 122.39 3hj3 s LYS 220 Ca 0.60 2.09 0.12 0.00 0.02 0.00 0.00 55.97 58.80 3hj3 s LYS 220 Cb -0.34 -3.16 0.88 0.00 -0.52 0.00 0.00 37.83 34.69 3hj3 s LYS 220 CO 0.42 -0.23 1.15 -1.91 -0.92 0.00 0.00 175.35 173.86 3hj3 n GLU 221 N 2.21 -0.05 0.00 1.68 2.13 -1.26 0.62 120.64 125.98 3hj3 n GLU 221 Ca 0.05 1.03 0.07 0.00 0.66 0.00 0.00 57.16 58.97 3hj3 n GLU 221 Cb 0.42 -1.79 0.32 0.00 0.27 0.00 0.00 31.44 30.66 3hj3 n GLU 221 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 3hj3 n GLU 222 N -4.74 0.00 -0.12 5.31 0.00 -1.26 -2.73 120.64 117.11 3hj3 n GLU 222 Ca 0.25 0.24 0.03 0.00 0.00 0.00 0.00 57.16 57.68 3hj3 n GLU 222 Cb 0.85 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.83 3hj3 n GLU 222 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3hj3 n ILE 223 N -1.50 0.92 -4.02 3.84 -5.35 0.20 -5.00 119.36 108.45 3hj3 n ILE 223 Ca 0.04 -1.04 -0.35 0.00 -0.27 0.00 0.00 62.75 61.13 3hj3 n ILE 223 Cb 0.17 0.35 -0.12 0.00 -1.74 0.00 0.00 39.64 38.30 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 -1.23 3.05 0.24 4.28 6.04 -1.09 -4.53 117.35 124.10 3hj3 s TYR 224 Ca 0.10 -0.44 -0.31 0.00 0.04 0.00 0.00 57.07 56.46 3hj3 s TYR 224 Cb 0.09 -2.10 -0.11 0.00 -1.04 0.00 0.00 41.96 38.79 3hj3 s TYR 224 CO 0.01 -0.25 1.61 1.21 -1.54 0.00 0.00 175.55 176.60 3hj3 s ASN 225 N 1.06 6.45 -0.92 4.32 3.84 -1.26 -3.73 114.94 124.71 3hj3 s ASN 225 Ca 0.02 2.83 -0.08 0.00 0.21 0.00 0.00 52.86 55.84 3hj3 s ASN 225 Cb -0.14 -2.61 0.01 0.00 -0.55 0.00 0.00 41.25 37.95 3hj3 s ASN 225 CO 0.02 -0.89 0.64 0.41 -2.79 0.00 0.00 177.10 174.49 3hj3 n THR 226 N 3.13 -4.13 0.19 -5.21 -1.04 -1.26 -4.83 114.28 101.13 3hj3 n THR 226 Ca 0.12 -0.22 0.10 0.00 -2.04 0.00 0.00 64.05 62.00 3hj3 n THR 226 Cb 0.37 -3.34 0.62 0.00 -1.82 0.00 0.00 70.33 66.17 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 -0.79 0.06 0.00 -2.82 0.11 -1.88 -2.16 132.00 124.53 3hj3 h PRO 227 Ca -0.59 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.52 3hj3 h PRO 227 Cb 1.36 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3hj3 h PRO 227 CO 0.40 0.04 0.00 0.66 -0.21 0.00 0.00 178.00 178.89 3hj3 h SER 228 N 0.06 0.00 -2.63 -2.05 4.64 -1.88 -3.37 113.55 108.33 3hj3 h SER 228 Ca 0.06 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.78 3hj3 h SER 228 Cb 0.16 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.13 3hj3 h SER 228 CO -0.01 0.00 0.70 -0.63 -0.87 0.00 0.00 176.83 176.02 3hj3 s ILE 229 N -3.52 4.15 -0.17 0.95 1.01 -0.81 -4.47 121.20 118.34 3hj3 s ILE 229 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 3hj3 s ILE 229 Cb 0.09 -4.74 -0.09 0.00 0.01 0.00 0.00 42.46 37.73 3hj3 s ILE 229 CO 0.40 -1.54 -0.19 0.54 0.00 0.00 0.00 174.94 174.15 3hj3 n ARG 230 N 8.17 0.38 -0.03 2.79 1.74 -1.26 -4.66 116.66 123.80 3hj3 n ARG 230 Ca -0.01 0.13 0.03 0.00 -0.77 0.00 0.00 57.85 57.23 3hj3 n ARG 230 Cb 0.47 -1.20 0.04 0.00 -1.02 0.00 0.00 32.46 30.74 3hj3 n ARG 230 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hj3 n PHE 231 N -3.42 0.07 -2.39 -1.55 3.01 -1.26 -4.75 117.46 107.16 3hj3 n PHE 231 Ca -0.32 -0.15 -0.21 0.00 1.01 0.00 0.00 57.45 57.79 3hj3 n PHE 231 Cb 0.77 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 40.24 3hj3 n PHE 231 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hj3 n GLY 232 N 0.23 5.09 2.54 1.37 0.00 -1.22 -4.92 105.19 108.28 3hj3 n GLY 232 Ca 0.04 -2.36 -0.40 0.00 0.00 0.00 0.00 46.02 43.29 3hj3 n GLY 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hj3 n ARG 233 N -0.51 4.04 -0.01 1.61 1.74 -1.26 -1.49 116.66 120.78 3hj3 n ARG 233 Ca 0.33 -3.11 -0.09 0.00 -0.77 0.00 0.00 57.85 54.21 3hj3 n ARG 233 Cb 0.79 -2.79 -0.14 0.00 -1.02 0.00 0.00 32.46 29.31 3hj3 n ARG 233 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3hj3 h GLU 234 N 5.05 0.02 -6.17 5.56 4.81 -1.77 -3.45 114.58 118.62 3hj3 h GLU 234 Ca 0.67 -0.03 -0.70 0.00 -0.13 0.00 0.00 59.36 59.17 3hj3 h GLU 234 Cb 0.39 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.80 3hj3 h GLU 234 CO 1.62 0.57 1.01 1.58 -0.73 0.00 0.00 179.01 183.05 3hj3 n HIS 235 N -3.09 2.12 0.18 0.92 -0.00 -1.08 -4.09 115.22 110.17 3hj3 n HIS 235 Ca -0.16 0.34 0.11 0.00 0.46 0.00 0.00 57.72 58.47 3hj3 n HIS 235 Cb 1.04 -2.53 0.58 0.00 -0.12 0.00 0.00 29.99 28.96 3hj3 n HIS 235 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3hj3 n TYR 236 N 6.11 0.74 0.32 1.57 4.02 -1.26 -0.87 117.16 127.78 3hj3 n TYR 236 Ca 0.26 0.38 0.21 0.00 -0.01 0.00 0.00 57.90 58.74 3hj3 n TYR 236 Cb 0.19 -1.10 1.11 0.00 -0.02 0.00 0.00 39.34 39.51 3hj3 n TYR 236 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3hj3 h GLU 237 N 0.00 0.00 0.00 -0.72 4.81 -1.90 -1.37 114.58 115.40 3hj3 h GLU 237 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3hj3 h GLU 237 Cb 0.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 3hj3 h GLU 237 CO 0.00 0.00 -0.15 0.74 -0.73 0.00 0.00 179.01 178.87 3hj3 h PHE 238 N 0.00 0.00 0.00 0.92 0.04 -1.34 -1.95 116.94 114.61 3hj3 h PHE 238 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3hj3 h PHE 238 Cb 0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3hj3 h PHE 238 CO 0.00 0.15 -0.21 1.96 -0.60 0.00 0.00 178.31 179.62 3hj3 h GLN 239 N 0.00 0.00 0.17 1.51 1.08 -1.42 0.21 115.11 116.66 3hj3 h GLN 239 Ca -0.00 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.84 3hj3 h GLN 239 Cb 0.70 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 3hj3 h GLN 239 CO 0.02 0.21 -1.81 -0.92 -0.95 0.00 0.00 178.83 175.37 3hj3 h TYR 240 N 0.00 0.67 -0.05 2.96 5.03 -1.48 -3.24 116.97 120.86 3hj3 h TYR 240 Ca -0.00 -0.49 -0.21 0.00 2.58 0.00 0.00 58.73 60.61 3hj3 h TYR 240 Cb 0.37 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.63 3hj3 h TYR 240 CO 0.00 1.71 -0.83 -0.07 -1.32 0.00 0.00 178.16 177.64 3hj3 h LEU 241 N 0.10 0.58 -0.89 2.82 3.38 -1.19 -2.60 115.31 117.51 3hj3 h LEU 241 Ca -0.36 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.09 3hj3 h LEU 241 Cb 2.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 3hj3 h LEU 241 CO 0.16 1.19 -0.50 0.44 0.09 0.00 0.00 178.44 179.82 3hj3 h ASP 242 N 0.30 0.00 0.05 -0.43 5.19 -0.75 -1.44 116.42 119.34 3hj3 h ASP 242 Ca -0.06 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3hj3 h ASP 242 Cb 1.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.95 3hj3 h ASP 242 CO 0.15 0.50 -0.03 0.25 -3.12 0.00 0.00 179.24 176.99 3hj3 h LEU 243 N 0.00 -0.06 -0.60 1.55 5.85 -1.56 0.12 115.31 120.61 3hj3 h LEU 243 Ca -0.00 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.81 3hj3 h LEU 243 Cb 0.97 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 3hj3 h LEU 243 CO 0.06 -0.02 0.15 0.25 -0.34 0.00 0.00 178.44 178.54 3hj3 h LEU 244 N -0.09 0.04 -0.48 2.25 5.85 -1.06 -1.81 115.31 120.02 3hj3 h LEU 244 Ca -0.01 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3hj3 h LEU 244 Cb 0.07 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3hj3 h LEU 244 CO 0.01 0.03 0.22 0.28 -0.34 0.00 0.00 178.44 178.64 3hj3 h SER 245 N 0.28 0.64 -0.63 1.25 0.02 -0.82 -0.75 113.55 113.55 3hj3 h SER 245 Ca 0.31 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 3hj3 h SER 245 Cb 0.46 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3hj3 h SER 245 CO -0.39 0.61 0.42 0.03 -1.14 0.00 0.00 176.83 176.36 3hj3 h ARG 246 N 0.63 0.63 0.21 3.45 3.08 -0.41 0.18 114.38 122.15 3hj3 h ARG 246 Ca 0.16 -0.04 -0.35 0.00 0.07 0.00 0.00 59.98 59.83 3hj3 h ARG 246 Cb 0.15 -0.14 0.02 0.00 0.08 0.00 0.00 29.97 30.07 3hj3 h ARG 246 CO -0.02 0.42 -1.69 -0.39 -1.07 0.00 0.00 179.97 177.22 3hj3 h VAL 247 N 0.65 1.03 -1.25 2.04 -1.51 -1.09 0.16 116.25 116.28 3hj3 h VAL 247 Ca 0.27 -2.56 0.37 0.00 -1.23 0.00 0.00 66.70 63.55 3hj3 h VAL 247 Cb 0.23 2.84 -0.10 0.00 -2.13 0.00 0.00 31.29 32.14 3hj3 h VAL 247 CO -0.08 0.85 0.83 -0.07 -1.23 0.00 0.00 177.57 177.87 3hj3 h LEU 248 N 0.12 0.24 0.00 4.19 4.07 -0.86 0.18 115.31 123.25 3hj3 h LEU 248 Ca -0.32 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.70 3hj3 h LEU 248 Cb 2.12 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 43.91 3hj3 h LEU 248 CO 0.21 -0.04 -0.39 -0.08 -1.08 0.00 0.00 178.44 177.06 3hj3 h GLU 249 N 0.17 0.00 -0.02 1.13 4.57 -0.44 -3.41 114.58 116.58 3hj3 h GLU 249 Ca 0.70 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.88 3hj3 h GLU 249 Cb 2.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.83 3hj3 h GLU 249 CO -0.26 0.11 -0.31 0.09 -1.18 0.00 0.00 179.01 177.46 3hj3 n ASN 250 N -4.65 2.13 -4.74 1.04 4.13 0.03 -5.02 115.26 108.17 3hj3 n ASN 250 Ca -0.07 -1.56 -0.41 0.00 1.68 0.00 0.00 54.58 54.21 3hj3 n ASN 250 Cb 0.22 0.35 -0.02 0.00 -1.54 0.00 0.00 39.78 38.79 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 -2.14 2.16 0.30 7.41 0.00 0.63 -4.90 107.32 110.78 3hj3 s GLY 251 Ca 0.19 1.36 -0.28 0.00 0.00 0.00 0.00 44.72 45.99 3hj3 s GLY 251 CO 0.45 2.38 1.05 0.00 0.00 0.00 0.00 173.10 176.97 3hj3 s ALA 252 N 0.21 3.32 -0.01 3.20 0.00 0.50 -4.40 121.76 124.57 3hj3 s ALA 252 Ca 0.62 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 3hj3 s ALA 252 Cb -0.43 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3hj3 s ALA 252 CO 0.42 -0.08 0.94 -0.47 0.00 0.00 0.00 175.76 176.57 3hj3 s TYR 253 N -1.28 3.64 0.00 0.00 6.14 -1.26 -0.55 117.35 124.04 3hj3 s TYR 253 Ca 0.47 1.63 -0.03 0.00 0.64 0.00 0.00 57.07 59.78 3hj3 s TYR 253 Cb -0.28 -3.08 -0.01 0.00 0.42 0.00 0.00 41.96 39.01 3hj3 s TYR 253 CO 0.36 -0.00 0.05 1.03 0.64 0.00 0.00 175.55 177.62 3hj3 s ARG 254 N 1.02 0.29 0.30 4.97 0.52 -0.40 -5.00 118.95 120.65 3hj3 s ARG 254 Ca 0.50 -0.33 -0.17 0.00 -0.52 0.00 0.00 55.73 55.21 3hj3 s ARG 254 Cb -0.20 0.11 -0.09 0.00 0.52 0.00 0.00 34.95 35.29 3hj3 s ARG 254 CO 0.26 -0.06 0.75 -2.00 0.02 0.00 0.00 175.30 174.28 3hj3 s GLU 255 N -0.98 4.10 0.31 3.54 -6.30 -1.26 -1.16 118.70 116.95 3hj3 s GLU 255 Ca -0.11 0.77 0.05 0.00 -2.50 0.00 0.00 54.97 53.18 3hj3 s GLU 255 Cb -0.06 -2.55 -0.03 0.00 0.00 0.00 0.00 34.13 31.49 3hj3 s GLU 255 CO 0.00 0.21 0.22 0.54 0.02 0.00 0.00 175.26 176.25 3hj3 s ASN 256 N -2.08 1.53 0.27 -1.70 4.22 -1.26 -4.94 114.94 110.97 3hj3 s ASN 256 Ca 0.51 -1.66 -0.01 0.00 -2.14 0.00 0.00 52.86 49.57 3hj3 s ASN 256 Cb -0.12 0.50 0.55 0.00 1.28 0.00 0.00 41.25 43.45 3hj3 s ASN 256 CO 0.18 -0.99 1.76 0.08 -2.04 0.00 0.00 177.10 176.10 3hj3 h ARG 257 N 2.19 0.61 -7.05 3.55 0.11 -1.99 -3.38 114.38 108.42 3hj3 h ARG 257 Ca -0.29 -0.04 -0.53 0.00 0.10 0.00 0.00 59.98 59.22 3hj3 h ARG 257 Cb 1.24 -0.14 0.11 0.00 1.11 0.00 0.00 29.97 32.29 3hj3 h ARG 257 CO 0.44 0.40 0.53 0.95 0.10 0.00 0.00 179.97 182.39 3hj3 s THR 258 N -5.96 2.54 0.56 0.08 -4.23 -1.26 -4.91 115.64 102.46 3hj3 s THR 258 Ca -0.12 0.38 0.28 0.00 -1.18 0.00 0.00 61.69 61.05 3hj3 s THR 258 Cb 0.22 -3.18 0.40 0.00 1.34 0.00 0.00 72.50 71.28 3hj3 s THR 258 CO 0.78 -0.03 1.97 1.23 -0.54 0.00 0.00 174.62 178.03 3hj3 h GLY 259 N 1.41 0.00 -5.76 3.99 0.00 -1.84 -3.42 103.07 97.45 3hj3 h GLY 259 Ca -0.50 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.21 3hj3 h GLY 259 CO 0.57 0.00 -0.37 -0.42 0.00 0.00 0.00 176.54 176.33 3hj3 s ILE 260 N -4.84 5.32 0.57 2.60 1.01 -1.26 -4.87 121.20 119.73 3hj3 s ILE 260 Ca -0.05 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.07 3hj3 s ILE 260 Cb 0.18 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 39.12 3hj3 s ILE 260 CO 0.66 0.48 0.80 -0.44 0.00 0.00 0.00 174.94 176.44 3hj3 s SER 261 N -0.15 5.23 0.16 3.58 0.01 -1.26 -4.43 113.70 116.84 3hj3 s SER 261 Ca 0.16 0.04 -0.00 0.00 1.31 0.00 0.00 55.95 57.45 3hj3 s SER 261 Cb -0.13 -0.90 -0.04 0.00 0.21 0.00 0.00 66.02 65.16 3hj3 s SER 261 CO 0.04 -1.19 0.06 0.42 0.41 0.00 0.00 173.24 172.99 3hj3 s THR 262 N -2.81 0.22 -0.14 1.44 -4.23 -0.31 -0.86 115.64 108.94 3hj3 s THR 262 Ca 0.58 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.11 3hj3 s THR 262 Cb -0.10 -2.16 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 3hj3 s THR 262 CO 0.39 -0.37 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.75 3hj3 s TYR 263 N -3.98 3.03 0.02 3.99 2.02 -0.73 -1.27 117.35 120.42 3hj3 s TYR 263 Ca 0.27 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 3hj3 s TYR 263 Cb 0.07 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.69 3hj3 s TYR 263 CO 0.04 0.03 -0.02 0.45 -1.57 0.00 0.00 175.55 174.48 3hj3 s SER 264 N 0.19 0.19 0.16 2.29 0.15 0.29 -1.69 113.70 115.28 3hj3 s SER 264 Ca -0.02 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.20 3hj3 s SER 264 Cb -0.14 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.22 3hj3 s SER 264 CO 0.03 -0.24 0.16 0.27 1.20 0.00 0.00 173.24 174.66 3hj3 s ILE 265 N -1.15 0.07 -0.06 6.45 -4.36 -0.79 -0.37 121.20 120.98 3hj3 s ILE 265 Ca -0.13 -1.74 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 3hj3 s ILE 265 Cb -0.08 -2.07 0.02 0.00 1.25 0.00 0.00 42.46 41.57 3hj3 s ILE 265 CO -0.01 -0.31 -0.10 0.12 0.24 0.00 0.00 174.94 174.89 3hj3 s PHE 266 N -4.04 1.27 0.00 1.37 5.36 -1.26 -0.89 117.98 119.79 3hj3 s PHE 266 Ca 0.25 -0.46 0.00 0.00 -0.96 0.00 0.00 56.93 55.76 3hj3 s PHE 266 Cb 0.06 -0.97 0.00 0.00 -0.34 0.00 0.00 43.02 41.77 3hj3 s PHE 266 CO 0.03 -0.27 0.00 0.41 -1.46 0.00 0.00 175.22 173.94 3hj3 n GLY 267 N 3.96 -1.36 3.23 13.12 0.00 -0.55 -5.01 105.19 118.58 3hj3 n GLY 267 Ca -0.23 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 3hj3 n GLY 267 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hj3 s GLN 268 N -0.38 1.25 0.07 1.61 -1.52 -0.76 -4.96 119.66 114.96 3hj3 s GLN 268 Ca 0.00 -1.66 -0.10 0.00 -1.95 0.00 0.00 55.36 51.66 3hj3 s GLN 268 Cb 0.00 0.08 0.00 0.00 -0.22 0.00 0.00 33.01 32.88 3hj3 s GLN 268 CO 0.00 -0.34 0.21 0.00 -0.25 0.00 0.00 175.29 174.90 3hj3 s MET 269 N -4.11 0.81 0.01 2.91 0.23 -1.26 0.60 119.30 118.49 3hj3 s MET 269 Ca 0.37 -0.83 -0.03 0.00 -1.03 0.00 0.00 55.69 54.17 3hj3 s MET 269 Cb 0.07 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.70 3hj3 s MET 269 CO 0.12 -0.26 0.05 -1.64 -2.03 0.00 0.00 175.02 171.26 3hj3 s MET 270 N -3.44 0.35 -0.00 3.16 -1.94 0.10 -4.98 119.30 112.55 3hj3 s MET 270 Ca 0.02 -0.45 0.03 0.00 -1.71 0.00 0.00 55.69 53.58 3hj3 s MET 270 Cb 0.03 0.14 -0.01 0.00 2.01 0.00 0.00 34.83 37.00 3hj3 s MET 270 CO -0.09 -0.07 -0.09 1.03 -0.01 0.00 0.00 175.02 175.79 3hj3 s ARG 271 N -1.26 0.73 -0.01 2.03 0.52 -1.26 0.90 118.95 120.60 3hj3 s ARG 271 Ca -0.14 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 3hj3 s ARG 271 Cb -0.08 -0.70 0.02 0.00 0.52 0.00 0.00 34.95 34.70 3hj3 s ARG 271 CO 0.00 0.19 0.01 -0.06 0.02 0.00 0.00 175.30 175.47 3hj3 s PHE 272 N -0.26 0.04 0.39 -0.53 0.08 0.48 -4.83 117.98 113.36 3hj3 s PHE 272 Ca 0.03 0.06 -0.24 0.00 0.12 0.00 0.00 56.93 56.90 3hj3 s PHE 272 Cb -0.04 -0.14 -0.09 0.00 -0.57 0.00 0.00 43.02 42.18 3hj3 s PHE 272 CO -0.00 -0.05 1.06 0.34 -0.10 0.00 0.00 175.22 176.47 3hj3 s ASP 273 N 0.56 6.75 0.00 1.36 -1.08 -1.26 -1.55 116.67 121.44 3hj3 s ASP 273 Ca -0.05 2.08 0.00 0.00 -0.52 0.00 0.00 52.55 54.06 3hj3 s ASP 273 Cb -0.07 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 3hj3 s ASP 273 CO -0.02 -0.50 0.63 0.23 0.52 0.00 0.00 175.17 176.04 3hj3 n MET 274 N -0.01 1.02 0.01 4.34 2.81 -0.29 -4.60 117.12 120.41 3hj3 n MET 274 Ca 0.05 -0.82 -0.20 0.00 -1.81 0.00 0.00 57.70 54.91 3hj3 n MET 274 Cb 0.49 -0.74 -0.14 0.00 -0.71 0.00 0.00 33.22 32.12 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 0.24 0.00 0.03 3.08 -1.67 -3.39 114.38 112.66 3hj3 h ARG 275 Ca 0.00 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 3hj3 h ARG 275 Cb 0.65 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 3hj3 h ARG 275 CO 0.00 1.19 -1.00 0.93 -1.07 0.00 0.00 179.97 180.02 3hj3 h GLU 276 N -0.43 0.00 -2.76 0.04 4.39 -1.86 -3.49 114.58 110.47 3hj3 h GLU 276 Ca -0.21 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.58 3hj3 h GLU 276 Cb 1.62 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.23 3hj3 h GLU 276 CO 0.08 0.01 0.36 -1.54 -1.16 0.00 0.00 179.01 176.76 3hj3 s SER 277 N -5.40 -0.14 -0.19 1.42 1.04 -1.26 -3.60 113.70 105.57 3hj3 s SER 277 Ca -0.00 -0.70 -0.07 0.00 0.48 0.00 0.00 55.95 55.66 3hj3 s SER 277 Cb 0.09 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 3hj3 s SER 277 CO 0.79 -1.26 0.04 0.12 0.98 0.00 0.00 173.24 173.91 3hj3 s PHE 278 N -3.11 3.17 -1.45 5.02 5.36 0.23 -4.19 117.98 123.00 3hj3 s PHE 278 Ca 0.14 -0.11 -0.13 0.00 -0.96 0.00 0.00 56.93 55.88 3hj3 s PHE 278 Cb -0.04 -2.09 0.05 0.00 -0.34 0.00 0.00 43.02 40.60 3hj3 s PHE 278 CO 0.07 0.01 2.27 -0.35 -1.46 0.00 0.00 175.22 175.75 3hj3 n PRO 279 N 3.83 3.11 -3.58 10.12 -0.04 -1.26 -4.03 135.00 143.15 3hj3 n PRO 279 Ca -0.17 -2.71 -0.39 0.00 -0.04 0.00 0.00 63.50 60.19 3hj3 n PRO 279 Cb 0.52 -3.16 -0.11 0.00 -0.04 0.00 0.00 33.50 30.71 3hj3 n PRO 279 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hj3 s LEU 280 N 1.50 4.13 0.32 1.53 2.96 -1.26 -4.34 118.68 123.51 3hj3 s LEU 280 Ca 0.49 -0.13 -0.26 0.00 -0.22 0.00 0.00 54.13 54.00 3hj3 s LEU 280 Cb 0.14 -2.11 -0.14 0.00 0.50 0.00 0.00 46.19 44.58 3hj3 s LEU 280 CO -0.07 -0.10 0.81 0.18 -1.32 0.00 0.00 176.35 175.85 3hj3 n LEU 281 N 5.06 0.93 -0.01 -0.68 4.77 -1.26 -4.65 117.00 121.16 3hj3 n LEU 281 Ca -0.14 1.09 0.06 0.00 -0.03 0.00 0.00 56.01 56.99 3hj3 n LEU 281 Cb 0.51 -1.20 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 3hj3 n LEU 281 CO 0.34 -2.04 -0.02 0.35 -1.33 0.00 0.00 177.39 174.68 3hj3 n THR 282 N -0.17 0.00 1.18 -5.08 -2.24 -1.26 -4.47 114.28 102.24 3hj3 n THR 282 Ca 0.11 -0.19 0.14 0.00 -2.27 0.00 0.00 64.05 61.84 3hj3 n THR 282 Cb 0.34 1.01 0.61 0.00 -2.10 0.00 0.00 70.33 70.19 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 -1.27 0.00 -3.71 4.28 -2.24 -1.26 -1.82 114.28 108.25 3hj3 n THR 283 Ca 0.03 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 3hj3 n THR 283 Cb 0.21 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.80 0.68 0.03 -0.78 -2.85 -1.26 -4.57 119.74 108.19 3hj3 s LYS 284 Ca 0.20 0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 54.98 3hj3 s LYS 284 Cb 0.19 0.31 -0.06 0.00 -2.06 0.00 0.00 37.83 36.21 3hj3 s LYS 284 CO 0.52 -0.17 1.47 0.21 0.10 0.00 0.00 175.35 177.48 3hj3 s LYS 285 N -0.83 4.26 -0.14 1.78 2.20 -0.90 -4.71 119.74 121.40 3hj3 s LYS 285 Ca -0.09 2.07 -0.07 0.00 -0.36 0.00 0.00 55.97 57.52 3hj3 s LYS 285 Cb -0.04 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 3hj3 s LYS 285 CO 0.04 -0.61 0.11 0.08 -0.36 0.00 0.00 175.35 174.62 3hj3 s VAL 286 N 2.35 5.27 -0.86 4.02 1.01 -1.26 -4.67 120.40 126.27 3hj3 s VAL 286 Ca 0.67 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.55 3hj3 s VAL 286 Cb -0.34 -3.31 -0.14 0.00 0.00 0.00 0.00 36.38 32.58 3hj3 s VAL 286 CO 0.28 0.57 1.92 0.00 0.00 0.00 0.00 175.10 177.88 3hj3 n ALA 287 N 2.41 2.99 -0.30 5.51 0.00 -1.26 -4.78 120.51 125.08 3hj3 n ALA 287 Ca -0.19 -3.26 0.01 0.00 0.00 0.00 0.00 53.44 50.00 3hj3 n ALA 287 Cb 0.54 -3.61 0.14 0.00 0.00 0.00 0.00 19.45 16.53 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 4.84 1.02 -0.17 0.00 6.09 -1.99 -2.74 117.51 124.56 3hj3 h ILE 288 Ca 0.38 -0.32 0.05 0.00 -1.37 0.00 0.00 64.86 63.60 3hj3 h ILE 288 Cb 0.73 0.01 -0.05 0.00 0.47 0.00 0.00 36.82 37.98 3hj3 h ILE 288 CO 1.80 0.17 -0.13 -0.09 -3.07 0.00 0.00 178.15 176.83 3hj3 h ARG 289 N 0.93 -0.13 -0.53 2.19 2.43 -1.99 0.14 114.38 117.42 3hj3 h ARG 289 Ca 0.37 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.57 3hj3 h ARG 289 Cb 0.20 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3hj3 h ARG 289 CO -0.18 -0.09 0.33 0.77 -1.51 0.00 0.00 179.97 179.30 3hj3 h SER 290 N -0.13 0.56 0.12 -3.80 0.02 -1.90 0.88 113.55 109.29 3hj3 h SER 290 Ca 0.11 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3hj3 h SER 290 Cb 0.29 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3hj3 h SER 290 CO -0.26 0.40 -0.21 0.40 -1.14 0.00 0.00 176.83 176.03 3hj3 h ILE 291 N 0.67 0.53 -0.41 3.27 2.04 -1.14 0.21 117.51 122.68 3hj3 h ILE 291 Ca 0.20 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.08 3hj3 h ILE 291 Cb -0.03 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3hj3 h ILE 291 CO -0.07 0.00 0.25 0.15 0.00 0.00 0.00 178.15 178.48 3hj3 h PHE 292 N -0.40 0.47 -0.17 1.37 3.57 -0.39 -1.26 116.94 120.13 3hj3 h PHE 292 Ca 0.02 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3hj3 h PHE 292 Cb 0.41 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3hj3 h PHE 292 CO -0.19 0.28 -0.17 1.49 -2.23 0.00 0.00 178.31 177.49 3hj3 h GLU 293 N 0.51 0.28 -0.02 1.11 4.57 -0.33 -1.14 114.58 119.56 3hj3 h GLU 293 Ca 0.16 -0.08 -0.17 0.00 -1.18 0.00 0.00 59.36 58.10 3hj3 h GLU 293 Cb -0.01 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3hj3 h GLU 293 CO -0.06 0.45 -0.74 1.49 -1.18 0.00 0.00 179.01 178.97 3hj3 h GLU 294 N 0.26 0.14 0.44 1.92 4.81 -0.17 -3.11 114.58 118.88 3hj3 h GLU 294 Ca 0.05 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3hj3 h GLU 294 Cb 0.46 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3hj3 h GLU 294 CO 0.03 0.82 -0.21 1.25 -0.73 0.00 0.00 179.01 180.16 3hj3 h LEU 295 N 0.09 -0.50 -1.71 1.64 6.46 -0.03 -2.27 115.31 118.99 3hj3 h LEU 295 Ca -0.02 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.67 3hj3 h LEU 295 Cb 1.31 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 41.35 3hj3 h LEU 295 CO 0.11 -0.19 0.22 0.16 -0.62 0.00 0.00 178.44 178.11 3hj3 h ILE 296 N -0.83 1.05 -0.52 4.05 -0.00 -1.53 0.17 117.51 119.89 3hj3 h ILE 296 Ca -0.06 -0.13 0.04 0.00 -0.00 0.00 0.00 64.86 64.71 3hj3 h ILE 296 Cb 0.56 0.63 -0.04 0.00 -0.00 0.00 0.00 36.82 37.96 3hj3 h ILE 296 CO 0.10 0.07 0.27 -0.25 -0.00 0.00 0.00 178.15 178.34 3hj3 h TRP 297 N 0.39 0.49 -0.10 0.16 7.01 -1.53 0.45 115.95 122.82 3hj3 h TRP 297 Ca 0.13 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.17 3hj3 h TRP 297 Cb 0.03 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 3hj3 h TRP 297 CO -0.00 0.24 -0.02 0.74 -2.79 0.00 0.00 178.44 176.62 3hj3 h PHE 298 N 0.52 -0.04 -0.93 2.65 0.04 -0.17 -1.35 116.94 117.67 3hj3 h PHE 298 Ca 0.23 0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.04 3hj3 h PHE 298 Cb 0.13 0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 3hj3 h PHE 298 CO -0.10 -0.03 0.60 0.82 -0.60 0.00 0.00 178.31 179.00 3hj3 h ILE 299 N 0.01 1.16 0.00 -0.55 2.04 0.01 0.29 117.51 120.48 3hj3 h ILE 299 Ca 0.05 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3hj3 h ILE 299 Cb 0.07 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.03 3hj3 h ILE 299 CO -0.10 0.21 0.00 0.29 0.00 0.00 0.00 178.15 178.56 3hj3 n LYS 300 N -4.49 0.54 -1.04 2.37 4.76 0.15 -4.86 118.16 115.59 3hj3 n LYS 300 Ca 0.12 0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.58 3hj3 n LYS 300 Cb 0.09 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.77 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 0.63 0.51 3.73 0.72 0.00 0.09 -5.02 105.19 105.85 3hj3 n GLY 301 Ca 0.15 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.88 7.31 -0.07 1.61 -1.08 -0.53 -4.12 116.67 116.90 3hj3 s ASP 302 Ca 0.00 1.57 0.11 0.00 -0.52 0.00 0.00 52.55 53.70 3hj3 s ASP 302 Cb 0.00 -2.52 0.16 0.00 -1.46 0.00 0.00 42.92 39.10 3hj3 s ASP 302 CO 0.00 -0.09 1.07 0.35 0.52 0.00 0.00 175.17 177.02 3hj3 n THR 303 N 3.19 1.45 -3.21 1.71 -2.24 -1.26 -4.45 114.28 109.46 3hj3 n THR 303 Ca 0.01 -1.66 -0.45 0.00 -2.27 0.00 0.00 64.05 59.68 3hj3 n THR 303 Cb 0.50 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.02 6.24 0.54 3.42 3.04 -1.26 -2.74 114.94 122.16 3hj3 s ASN 304 Ca 0.18 -1.71 0.33 0.00 0.04 0.00 0.00 52.86 51.70 3hj3 s ASN 304 Cb 0.16 -2.26 1.50 0.00 -1.54 0.00 0.00 41.25 39.11 3hj3 s ASN 304 CO 0.02 -0.96 1.86 1.23 -3.04 0.00 0.00 177.10 176.20 3hj3 h GLY 305 N 9.33 0.00 1.59 1.21 0.00 -1.38 0.18 103.07 114.00 3hj3 h GLY 305 Ca -0.26 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.10 3hj3 h GLY 305 CO 1.05 0.00 0.21 3.43 0.00 0.00 0.00 176.54 181.23 3hj3 h ASN 306 N 0.00 0.26 -0.11 0.19 -0.26 -1.90 -1.71 115.58 112.05 3hj3 h ASN 306 Ca 0.46 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.18 3hj3 h ASN 306 Cb 1.87 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 39.06 3hj3 h ASN 306 CO -0.00 0.18 0.05 0.45 -1.06 0.00 0.00 177.43 177.04 3hj3 h HIS 307 N 0.30 0.20 0.02 1.19 3.86 -1.35 0.35 115.15 119.73 3hj3 h HIS 307 Ca 0.13 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3hj3 h HIS 307 Cb 0.14 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3hj3 h HIS 307 CO -0.00 0.18 -0.15 -0.07 0.86 0.00 0.00 177.93 178.75 3hj3 h LEU 308 N 0.21 0.10 -0.61 2.43 -0.00 -1.48 -3.19 115.31 112.78 3hj3 h LEU 308 Ca 0.05 -0.92 0.10 0.00 -0.00 0.00 0.00 57.88 57.12 3hj3 h LEU 308 Cb 0.07 -0.03 -0.08 0.00 -0.00 0.00 0.00 40.66 40.62 3hj3 h LEU 308 CO -0.00 1.01 0.19 0.40 -0.00 0.00 0.00 178.44 180.04 3hj3 h ILE 309 N -0.79 0.72 -0.99 1.22 2.04 -1.12 -0.31 117.51 118.27 3hj3 h ILE 309 Ca -0.02 -0.12 0.22 0.00 1.00 0.00 0.00 64.86 65.94 3hj3 h ILE 309 Cb 1.05 0.34 -0.09 0.00 -0.74 0.00 0.00 36.82 37.38 3hj3 h ILE 309 CO 0.03 0.06 0.63 -0.33 0.00 0.00 0.00 178.15 178.54 3hj3 h GLU 310 N 0.35 0.53 -0.37 2.37 5.08 -0.36 0.68 114.58 122.85 3hj3 h GLU 310 Ca 0.31 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3hj3 h GLU 310 Cb 0.42 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3hj3 h GLU 310 CO -0.34 0.35 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3hj3 n LYS 311 N -4.67 1.74 -3.15 2.33 5.02 -0.19 -4.91 118.16 114.33 3hj3 n LYS 311 Ca 0.23 -0.96 -0.14 0.00 -2.02 0.00 0.00 58.31 55.41 3hj3 n LYS 311 Cb 0.72 -1.31 0.06 0.00 -0.02 0.00 0.00 35.03 34.48 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 0.25 -5.23 -3.94 1.97 5.02 0.24 -5.01 118.16 111.46 3hj3 n LYS 312 Ca 0.09 0.61 -0.30 0.00 -2.02 0.00 0.00 58.31 56.69 3hj3 n LYS 312 Cb 0.29 -4.94 -0.16 0.00 -0.02 0.00 0.00 35.03 30.20 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 -3.25 1.49 -1.79 -0.18 1.01 -0.83 -5.01 120.40 111.85 3hj3 s VAL 313 Ca 0.18 -1.08 0.22 0.00 0.00 0.00 0.00 61.98 61.30 3hj3 s VAL 313 Cb -0.08 -1.70 0.68 0.00 0.00 0.00 0.00 36.38 35.27 3hj3 s VAL 313 CO 0.53 -0.01 1.57 -1.22 0.00 0.00 0.00 175.10 175.97 3hj3 n TYR 314 N 4.70 1.13 0.07 5.22 4.01 -1.26 -2.83 117.16 128.20 3hj3 n TYR 314 Ca -0.13 -0.53 0.20 0.00 -0.16 0.00 0.00 57.90 57.29 3hj3 n TYR 314 Cb 0.45 -0.06 0.74 0.00 -0.31 0.00 0.00 39.34 40.16 3hj3 n TYR 314 CO 0.00 0.00 0.00 -0.84 -0.46 0.00 0.00 176.86 175.56 3hj3 h ILE 315 N 4.31 0.56 -0.28 -0.72 3.07 -1.96 -1.32 117.51 121.18 3hj3 h ILE 315 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3hj3 h ILE 315 Cb 1.11 0.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 3hj3 h ILE 315 CO 0.06 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.95 3hj3 n TRP 316 N -4.05 0.36 -0.16 0.16 7.02 -1.26 -4.65 117.44 114.86 3hj3 n TRP 316 Ca 0.07 -0.32 -0.08 0.00 -1.02 0.00 0.00 57.50 56.15 3hj3 n TRP 316 Cb 0.56 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.41 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 2.51 -1.31 -0.51 -0.99 0.02 -1.55 -2.60 113.55 109.13 3hj3 h SER 317 Ca 0.00 0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 3hj3 h SER 317 Cb 0.70 0.60 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 3hj3 h SER 317 CO 0.00 -0.34 -0.08 1.23 -1.14 0.00 0.00 176.83 176.50 3hj3 h GLY 318 N -0.25 1.03 0.93 -3.77 0.00 -1.83 -0.95 103.07 98.23 3hj3 h GLY 318 Ca 0.18 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3hj3 h GLY 318 CO -0.62 0.75 0.00 0.70 0.00 0.00 0.00 176.54 177.37 3hj3 n ASN 319 N -4.23 0.00 0.00 0.19 4.13 -1.01 -2.20 115.26 112.14 3hj3 n ASN 319 Ca 0.01 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.56 3hj3 n ASN 319 Cb 0.38 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.62 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 0.31 1.84 3.76 7.41 0.00 -0.44 -4.76 105.19 113.31 3hj3 n GLY 320 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3hj3 n GLY 320 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hj3 s SER 321 N -0.74 5.02 0.15 1.61 1.04 -0.73 -1.48 113.70 118.58 3hj3 s SER 321 Ca 0.00 2.08 -0.18 0.00 0.48 0.00 0.00 55.95 58.33 3hj3 s SER 321 Cb 0.00 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.61 3hj3 s SER 321 CO 0.00 -1.69 1.70 0.50 0.98 0.00 0.00 173.24 174.73 3hj3 h LYS 322 N 0.10 0.06 0.35 4.02 1.63 -1.92 -1.45 116.57 119.36 3hj3 h LYS 322 Ca -0.47 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.32 3hj3 h LYS 322 Cb 1.26 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 3hj3 h LYS 322 CO 0.54 0.04 -0.25 0.93 -3.45 0.00 0.00 179.45 177.25 3hj3 h GLU 323 N 0.06 -0.58 -0.44 1.90 3.07 -1.95 0.15 114.58 116.79 3hj3 h GLU 323 Ca 0.15 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.12 3hj3 h GLU 323 Cb 0.22 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.20 3hj3 h GLU 323 CO -0.28 -0.39 0.13 -0.92 -1.40 0.00 0.00 179.01 176.15 3hj3 h TYR 324 N -0.60 0.22 -0.12 4.33 3.20 -1.76 0.30 116.97 122.54 3hj3 h TYR 324 Ca -0.03 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 3hj3 h TYR 324 Cb 0.51 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3hj3 h TYR 324 CO -0.12 0.06 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.05 3hj3 h LEU 325 N 0.28 0.24 0.15 2.82 4.07 -1.09 -2.51 115.31 119.27 3hj3 h LEU 325 Ca 0.21 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 3hj3 h LEU 325 Cb 0.24 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.91 3hj3 h LEU 325 CO -0.24 0.57 -0.07 -0.08 -1.08 0.00 0.00 178.44 177.54 3hj3 h GLU 326 N 0.21 -0.19 -0.22 1.13 4.57 0.27 0.35 114.58 120.70 3hj3 h GLU 326 Ca 0.03 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 3hj3 h GLU 326 Cb 0.70 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 3hj3 h GLU 326 CO 0.05 -0.02 0.23 -0.09 -1.18 0.00 0.00 179.01 178.00 3hj3 h ARG 327 N -0.33 0.00 -0.31 1.92 2.43 -0.05 -2.97 114.38 115.07 3hj3 h ARG 327 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hj3 h ARG 327 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3hj3 h ARG 327 CO 0.03 0.00 0.00 0.44 -1.51 0.00 0.00 179.97 178.93 3hj3 n ILE 328 N -3.87 1.23 0.00 1.20 -5.35 -0.98 -4.98 119.36 106.62 3hj3 n ILE 328 Ca 0.03 -1.16 0.00 0.00 -0.27 0.00 0.00 62.75 61.34 3hj3 n ILE 328 Cb 0.36 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 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 0.26 0.58 1.27 3.28 0.00 -1.09 -4.95 105.19 104.54 3hj3 n GLY 329 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 3hj3 n GLY 329 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hj3 n LEU 330 N 0.00 4.38 0.27 0.99 4.77 0.09 -4.71 117.00 122.78 3hj3 n LEU 330 Ca 0.00 -3.78 0.19 0.00 -0.03 0.00 0.00 56.01 52.39 3hj3 n LEU 330 Cb 0.00 -0.66 0.97 0.00 -2.33 0.00 0.00 43.42 41.40 3hj3 n LEU 330 CO 0.00 1.25 1.05 1.23 -1.33 0.00 0.00 177.39 179.60 3hj3 h GLY 331 N 1.01 0.00 2.00 -0.72 0.00 -1.74 -0.69 103.07 102.93 3hj3 h GLY 331 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3hj3 h GLY 331 CO 0.46 0.00 0.00 1.12 0.00 0.00 0.00 176.54 178.12 3hj3 h HIS 332 N 0.00 0.00 -3.87 5.60 2.07 -1.89 -3.46 115.15 113.60 3hj3 h HIS 332 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 3hj3 h HIS 332 Cb 0.05 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.04 3hj3 h HIS 332 CO 0.00 0.00 0.42 1.03 -3.07 0.00 0.00 177.93 176.31 3hj3 s ARG 333 N -3.64 4.47 0.58 5.12 1.81 -0.27 -5.03 118.95 121.99 3hj3 s ARG 333 Ca 0.01 1.60 -0.20 0.00 -1.72 0.00 0.00 55.73 55.42 3hj3 s ARG 333 Cb 0.09 -2.90 -0.04 0.00 -0.45 0.00 0.00 34.95 31.65 3hj3 s ARG 333 CO 0.50 0.12 1.25 -2.00 -0.68 0.00 0.00 175.30 174.48 3hj3 s GLU 334 N -1.89 3.02 0.11 3.54 2.12 -1.26 -4.89 118.70 119.44 3hj3 s GLU 334 Ca 0.50 1.95 -0.36 0.00 0.36 0.00 0.00 54.97 57.42 3hj3 s GLU 334 Cb -0.26 -2.04 -0.16 0.00 0.26 0.00 0.00 34.13 31.94 3hj3 s GLU 334 CO 0.33 -1.20 1.41 -1.91 -0.54 0.00 0.00 175.26 173.35 3hj3 n GLU 335 N -1.40 1.45 -0.81 4.30 2.13 -1.26 -1.65 120.64 123.39 3hj3 n GLU 335 Ca 0.13 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.47 3hj3 n GLU 335 Cb 0.48 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 29.99 3hj3 n GLU 335 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hj3 n ASN 336 N 2.79 -1.35 -4.51 4.31 5.03 -0.55 -4.88 115.26 116.10 3hj3 n ASN 336 Ca 0.18 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.21 3hj3 n ASN 336 Cb 0.22 -0.23 -0.03 0.00 -1.02 0.00 0.00 39.78 38.72 3hj3 n ASN 336 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3hj3 s ASP 337 N -2.44 6.43 0.00 6.41 3.68 -0.66 -0.88 116.67 129.21 3hj3 s ASP 337 Ca 0.00 -1.40 0.23 0.00 2.13 0.00 0.00 52.55 53.51 3hj3 s ASP 337 Cb 0.00 -2.49 1.23 0.00 -1.45 0.00 0.00 42.92 40.21 3hj3 s ASP 337 CO 0.00 -1.41 1.76 0.18 0.13 0.00 0.00 175.17 175.83 3hj3 n LEU 338 N 8.07 0.00 0.00 -1.34 4.77 -1.11 -4.86 117.00 122.53 3hj3 n LEU 338 Ca 0.20 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3hj3 n LEU 338 Cb 0.49 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3hj3 n LEU 338 CO 0.62 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3hj3 n GLY 339 N 0.62 -1.22 2.22 -0.72 0.00 -1.26 -0.67 105.19 104.16 3hj3 n GLY 339 Ca 0.13 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.01 3.20 0.00 1.61 -0.04 -1.26 -4.78 135.00 133.71 3hj3 n PRO 340 Ca 0.00 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 3hj3 n PRO 340 Cb 0.00 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 3hj3 n PRO 340 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3hj3 n ILE 341 N 3.27 0.00 -0.10 0.52 -5.35 -1.26 -4.44 119.36 111.99 3hj3 n ILE 341 Ca 0.68 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 63.11 3hj3 n ILE 341 Cb 0.43 -1.88 -0.04 0.00 -1.74 0.00 0.00 39.64 36.41 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 -0.23 -0.72 -1.08 4.28 0.05 -1.91 0.15 116.97 117.51 3hj3 h TYR 342 Ca 0.00 0.04 0.30 0.00 0.05 0.00 0.00 58.73 59.12 3hj3 h TYR 342 Cb 0.00 0.35 -0.06 0.00 1.01 0.00 0.00 36.73 38.03 3hj3 h TYR 342 CO 0.00 -0.18 0.75 0.78 -1.05 0.00 0.00 178.16 178.46 3hj3 h GLY 343 N -0.09 0.40 1.49 3.88 0.00 -1.78 0.46 103.07 107.43 3hj3 h GLY 343 Ca 0.04 -0.07 -0.26 0.00 0.00 0.00 0.00 47.33 47.05 3hj3 h GLY 343 CO -0.30 -0.04 -1.11 -2.75 0.00 0.00 0.00 176.54 172.34 3hj3 h PHE 344 N 0.13 0.69 0.00 5.60 3.04 -0.86 -2.84 116.94 122.70 3hj3 h PHE 344 Ca 0.54 -0.42 -0.12 0.00 3.98 0.00 0.00 57.97 61.96 3hj3 h PHE 344 Cb 1.90 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 40.33 3hj3 h PHE 344 CO -0.00 1.27 -0.55 1.96 -2.02 0.00 0.00 178.31 178.97 3hj3 h GLN 345 N 0.20 0.00 -0.24 1.11 1.08 -0.78 0.45 115.11 116.93 3hj3 h GLN 345 Ca -0.12 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 56.92 3hj3 h GLN 345 Cb 1.78 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.20 3hj3 h GLN 345 CO 0.19 0.55 -0.50 -1.49 -0.95 0.00 0.00 178.83 176.64 3hj3 h TRP 346 N 0.00 0.81 0.00 2.96 4.06 -1.25 -3.05 115.95 119.48 3hj3 h TRP 346 Ca -0.01 -0.27 0.00 0.00 2.06 0.00 0.00 58.89 60.68 3hj3 h TRP 346 Cb 1.09 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 29.09 3hj3 h TRP 346 CO 0.00 1.02 -1.29 0.54 -3.56 0.00 0.00 178.44 175.15 3hj3 n ARG 347 N -3.99 0.98 -2.71 0.49 5.12 -1.08 -1.84 116.66 113.63 3hj3 n ARG 347 Ca -0.03 -0.08 -0.04 0.00 -1.93 0.00 0.00 57.85 55.77 3hj3 n ARG 347 Cb 0.58 -1.20 0.05 0.00 -1.16 0.00 0.00 32.46 30.72 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 -1.75 1.49 -1.61 -1.55 8.25 0.16 -3.36 115.22 116.85 3hj3 n HIS 348 Ca -0.01 -2.16 -0.54 0.00 -0.26 0.00 0.00 57.72 54.75 3hj3 n HIS 348 Cb 0.26 -0.25 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.61 1.55 -0.48 4.41 9.36 0.15 -0.46 117.16 131.08 3hj3 n TYR 349 Ca 0.13 0.67 0.00 0.00 3.32 0.00 0.00 57.90 62.02 3hj3 n TYR 349 Cb 0.83 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 37.20 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 3.10 0.00 -4.45 2.98 3.02 -1.26 -1.34 115.26 117.31 3hj3 n ASN 350 Ca 0.21 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.44 3hj3 n ASN 350 Cb 0.16 -0.23 0.16 0.00 -0.61 0.00 0.00 39.78 39.25 3hj3 n ASN 350 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hj3 n GLY 351 N -2.00 -1.76 3.56 7.41 0.00 0.39 -4.90 105.19 107.90 3hj3 n GLY 351 Ca 0.00 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 3hj3 n GLY 351 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hj3 s GLU 352 N -3.89 3.72 -0.10 1.61 2.12 -1.26 -5.01 118.70 115.90 3hj3 s GLU 352 Ca 0.60 -0.46 -0.21 0.00 0.36 0.00 0.00 54.97 55.26 3hj3 s GLU 352 Cb -0.20 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 3hj3 s GLU 352 CO 0.65 -0.32 0.59 -0.47 -0.54 0.00 0.00 175.26 175.16 3hj3 s TYR 353 N 1.77 3.54 -0.14 5.30 5.04 -1.26 -4.96 117.35 126.64 3hj3 s TYR 353 Ca 0.07 1.06 -0.09 0.00 -2.44 0.00 0.00 57.07 55.66 3hj3 s TYR 353 Cb -0.17 -2.68 -0.06 0.00 0.35 0.00 0.00 41.96 39.41 3hj3 s TYR 353 CO 0.11 0.12 -0.22 1.63 -1.34 0.00 0.00 175.55 175.85 3hj3 n LYS 354 N 3.77 0.35 -3.49 4.97 5.02 -1.26 -5.05 118.16 122.47 3hj3 n LYS 354 Ca -0.04 0.15 -0.11 0.00 -2.02 0.00 0.00 58.31 56.29 3hj3 n LYS 354 Cb 0.51 -1.10 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 -2.40 0.00 -1.74 -0.18 -4.23 -1.26 -5.01 115.64 100.83 3hj3 s THR 355 Ca -0.22 -0.16 0.08 0.00 -1.18 0.00 0.00 61.69 60.21 3hj3 s THR 355 Cb 0.07 -1.16 0.19 0.00 1.34 0.00 0.00 72.50 72.94 3hj3 s THR 355 CO 0.29 0.00 1.02 1.15 -0.54 0.00 0.00 174.62 176.53 3hj3 n MET 356 N -0.39 0.19 -0.03 3.99 0.00 -1.26 -2.94 117.12 116.67 3hj3 n MET 356 Ca -0.15 0.10 0.05 0.00 0.00 0.00 0.00 57.70 57.69 3hj3 n MET 356 Cb 0.64 -1.50 -0.16 0.00 0.00 0.00 0.00 33.22 32.20 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 -1.13 0.00 -1.15 3.17 8.25 -1.26 -4.91 115.22 118.18 3hj3 n HIS 357 Ca 0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.22 3hj3 n HIS 357 Cb 0.04 -0.62 0.17 0.00 1.12 0.00 0.00 29.99 30.70 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 -4.70 2.75 -0.24 0.41 1.11 -1.15 -5.01 116.67 109.83 3hj3 s ASP 358 Ca -0.08 1.27 -0.07 0.00 0.18 0.00 0.00 52.55 53.85 3hj3 s ASP 358 Cb 0.11 -1.95 -0.03 0.00 1.07 0.00 0.00 42.92 42.13 3hj3 s ASP 358 CO 0.85 -3.06 0.05 -0.62 1.18 0.00 0.00 175.17 173.57 3hj3 s ASP 359 N -3.41 5.01 0.00 0.27 2.15 -1.26 -4.97 116.67 114.46 3hj3 s ASP 359 Ca 0.65 -0.23 0.07 0.00 0.43 0.00 0.00 52.55 53.47 3hj3 s ASP 359 Cb -0.19 -1.89 0.07 0.00 -0.30 0.00 0.00 42.92 40.61 3hj3 s ASP 359 CO 0.58 -0.02 0.76 -1.22 -0.17 0.00 0.00 175.17 175.10 3hj3 n TYR 360 N 4.83 0.03 -1.69 -5.34 4.01 -1.26 -4.93 117.16 112.81 3hj3 n TYR 360 Ca -0.16 -0.06 -0.59 0.00 -0.16 0.00 0.00 57.90 56.92 3hj3 n TYR 360 Cb 0.51 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.34 0.18 0.00 -0.72 5.66 -1.26 -0.75 114.28 117.73 3hj3 n THR 361 Ca 0.04 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 3hj3 n THR 361 Cb 0.19 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 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 3.78 3.12 3.74 1.09 0.00 -1.26 -5.04 105.19 110.62 3hj3 n GLY 362 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.04 4.67 0.00 1.61 0.11 0.07 -4.94 120.40 119.89 3hj3 s VAL 363 Ca 0.00 1.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.81 3hj3 s VAL 363 Cb 0.00 -4.18 0.00 0.00 -1.53 0.00 0.00 36.38 30.67 3hj3 s VAL 363 CO 0.00 0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.72 3hj3 n GLY 364 N 2.37 -1.25 3.70 6.54 0.00 -1.26 -4.53 105.19 110.77 3hj3 n GLY 364 Ca -0.01 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.25 3.85 -0.94 1.61 1.01 -0.45 -4.70 120.40 118.54 3hj3 s VAL 365 Ca 0.00 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.02 3hj3 s VAL 365 Cb 0.00 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.61 3hj3 s VAL 365 CO 0.00 0.05 1.38 -0.62 0.00 0.00 0.00 175.10 175.91 3hj3 s ASP 366 N 1.41 6.41 0.10 3.32 3.68 -1.21 -0.67 116.67 129.71 3hj3 s ASP 366 Ca 0.61 -1.22 -0.23 0.00 2.13 0.00 0.00 52.55 53.85 3hj3 s ASP 366 Cb -0.30 -2.55 -0.12 0.00 -1.45 0.00 0.00 42.92 38.49 3hj3 s ASP 366 CO 0.27 -1.57 1.73 1.56 0.13 0.00 0.00 175.17 177.29 3hj3 h GLN 367 N 9.80 -0.04 -0.58 4.34 4.20 -1.69 -1.82 115.11 129.32 3hj3 h GLN 367 Ca 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3hj3 h GLN 367 Cb 1.02 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 3hj3 h GLN 367 CO 1.37 -0.02 0.32 1.25 -0.67 0.00 0.00 178.83 181.07 3hj3 h LEU 368 N -0.04 0.73 -0.32 1.46 5.85 -1.70 0.65 115.31 121.95 3hj3 h LEU 368 Ca 0.02 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3hj3 h LEU 368 Cb 0.06 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3hj3 h LEU 368 CO -0.04 0.61 0.02 0.00 -0.34 0.00 0.00 178.44 178.69 3hj3 h ALA 369 N 1.15 0.42 0.00 1.25 0.00 -1.84 -2.40 119.26 117.84 3hj3 h ALA 369 Ca 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hj3 h ALA 369 Cb 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hj3 h ALA 369 CO -0.03 0.15 -0.08 0.87 0.00 0.00 0.00 179.25 180.16 3hj3 h LYS 370 N 0.35 0.00 0.04 0.00 1.57 -0.35 -2.26 116.57 115.93 3hj3 h LYS 370 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3hj3 h LYS 370 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3hj3 h LYS 370 CO 0.01 0.08 -0.02 1.25 -0.57 0.00 0.00 179.45 180.21 3hj3 h LEU 371 N 0.00 -0.05 -0.55 2.94 6.46 0.74 -1.00 115.31 123.86 3hj3 h LEU 371 Ca -0.00 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.60 3hj3 h LEU 371 Cb 0.16 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 3hj3 h LEU 371 CO 0.01 0.11 0.29 0.40 -0.62 0.00 0.00 178.44 178.64 3hj3 h ILE 372 N -0.21 1.19 0.51 4.05 2.04 -1.00 0.17 117.51 124.25 3hj3 h ILE 372 Ca -0.01 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3hj3 h ILE 372 Cb 0.19 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3hj3 h ILE 372 CO 0.01 0.21 -0.24 -0.33 0.00 0.00 0.00 178.15 177.79 3hj3 h GLU 373 N 0.75 -0.65 -0.51 2.37 3.07 -1.32 -0.95 114.58 117.33 3hj3 h GLU 373 Ca 0.19 0.04 0.08 0.00 -0.50 0.00 0.00 59.36 59.18 3hj3 h GLU 373 Cb 0.07 0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 3hj3 h GLU 373 CO -0.03 -0.43 0.35 1.15 -1.40 0.00 0.00 179.01 178.64 3hj3 h THR 374 N -0.68 0.92 -0.03 1.13 2.02 -1.03 0.10 112.91 115.33 3hj3 h THR 374 Ca -0.07 -0.12 -0.18 0.00 0.77 0.00 0.00 66.41 66.81 3hj3 h THR 374 Cb 0.52 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3hj3 h THR 374 CO 0.11 0.06 -0.78 -0.07 0.37 0.00 0.00 175.52 175.22 3hj3 h LEU 375 N 0.35 0.32 0.01 2.58 3.38 0.01 -0.20 115.31 121.77 3hj3 h LEU 375 Ca 0.23 -0.23 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3hj3 h LEU 375 Cb 0.46 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3hj3 h LEU 375 CO -0.06 0.98 -1.67 0.07 0.09 0.00 0.00 178.44 177.85 3hj3 h LYS 376 N 0.16 0.03 0.01 1.13 2.10 -0.91 -3.37 116.57 115.73 3hj3 h LYS 376 Ca -0.03 -0.05 -0.30 0.00 -2.00 0.00 0.00 60.65 58.27 3hj3 h LYS 376 Cb 1.37 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 32.66 3hj3 h LYS 376 CO 0.12 0.60 -1.76 0.09 -2.00 0.00 0.00 179.45 176.50 3hj3 n ASN 377 N -3.11 0.91 -2.83 7.07 4.13 0.33 -4.60 115.26 117.16 3hj3 n ASN 377 Ca -0.17 0.38 -0.12 0.00 1.68 0.00 0.00 54.58 56.36 3hj3 n ASN 377 Cb 1.04 -0.06 0.02 0.00 -1.54 0.00 0.00 39.78 39.24 3hj3 n ASN 377 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3hj3 n ASN 378 N -3.06 1.00 -0.16 6.41 5.15 -0.09 -5.00 115.26 119.52 3hj3 n ASN 378 Ca -0.19 -2.82 -0.03 0.00 -0.60 0.00 0.00 54.58 50.94 3hj3 n ASN 378 Cb 1.06 -0.43 0.03 0.00 -0.53 0.00 0.00 39.78 39.91 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 2.95 -0.04 0.00 1.20 0.13 -1.71 -2.36 132.00 132.17 3hj3 h PRO 379 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3hj3 h PRO 379 Cb 1.12 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hj3 h PRO 379 CO 0.46 -0.03 0.00 1.63 -0.23 0.00 0.00 178.00 179.84 3hj3 n LYS 380 N -5.38 0.18 -0.94 0.86 4.76 -1.26 -4.38 118.16 112.00 3hj3 n LYS 380 Ca 0.04 0.08 -0.30 0.00 -2.87 0.00 0.00 58.31 55.26 3hj3 n LYS 380 Cb 0.28 -1.50 0.15 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.77 3.21 -0.29 4.39 2.15 -0.89 -4.96 116.67 117.50 3hj3 s ASP 381 Ca 0.17 1.85 0.10 0.00 0.43 0.00 0.00 52.55 55.10 3hj3 s ASP 381 Cb 0.16 -2.43 0.58 0.00 -0.30 0.00 0.00 42.92 40.92 3hj3 s ASP 381 CO 0.39 -2.86 1.58 0.54 -0.17 0.00 0.00 175.17 174.65 3hj3 n ARG 382 N -4.06 2.47 -0.13 4.34 1.74 -1.26 -4.66 116.66 115.10 3hj3 n ARG 382 Ca 0.09 -3.06 0.08 0.00 -0.77 0.00 0.00 57.85 54.18 3hj3 n ARG 382 Cb 0.53 -1.95 0.14 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.83 1.94 -2.30 5.56 3.00 -1.26 -4.95 116.66 117.82 3hj3 n ARG 383 Ca 0.36 -2.41 -0.34 0.00 -0.01 0.00 0.00 57.85 55.45 3hj3 n ARG 383 Cb 1.16 -1.46 -0.04 0.00 0.00 0.00 0.00 32.46 32.12 3hj3 n ARG 383 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3hj3 s HIS 384 N -2.45 2.15 -0.00 -1.55 3.76 -1.26 -4.91 115.29 111.03 3hj3 s HIS 384 Ca 0.28 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.13 3hj3 s HIS 384 Cb 0.23 -4.37 -0.00 0.00 1.11 0.00 0.00 32.58 29.56 3hj3 s HIS 384 CO 0.04 -1.87 -0.03 0.42 -0.85 0.00 0.00 174.74 172.46 3hj3 s ILE 385 N 7.56 0.24 -0.05 0.60 1.01 -1.26 -1.49 121.20 127.81 3hj3 s ILE 385 Ca 0.58 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 61.15 3hj3 s ILE 385 Cb -0.04 -0.21 -0.00 0.00 0.01 0.00 0.00 42.46 42.22 3hj3 s ILE 385 CO -0.04 0.07 -0.18 -0.22 0.00 0.00 0.00 174.94 174.57 3hj3 s LEU 386 N -0.04 1.91 0.01 2.97 2.96 -0.86 -4.94 118.68 120.69 3hj3 s LEU 386 Ca 0.01 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3hj3 s LEU 386 Cb -0.02 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.64 3hj3 s LEU 386 CO -0.00 0.15 0.02 0.28 -1.32 0.00 0.00 176.35 175.47 3hj3 s THR 387 N 0.13 0.07 -0.20 3.68 -1.32 -1.26 -1.35 115.64 115.38 3hj3 s THR 387 Ca -0.07 -0.58 0.02 0.00 -1.21 0.00 0.00 61.69 59.86 3hj3 s THR 387 Cb -0.13 -0.22 0.03 0.00 -1.51 0.00 0.00 72.50 70.67 3hj3 s THR 387 CO 0.03 -0.32 0.73 0.00 -2.21 0.00 0.00 174.62 172.85 3hj3 n ALA 388 N 2.06 2.33 -3.06 11.08 0.00 -0.18 -4.64 120.51 128.10 3hj3 n ALA 388 Ca -0.20 -0.69 -0.45 0.00 0.00 0.00 0.00 53.44 52.10 3hj3 n ALA 388 Cb 0.57 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.45 3.24 -0.46 0.00 -0.11 -1.25 -4.77 118.94 115.14 3hj3 s TRP 389 Ca 0.03 -1.42 -0.08 0.00 1.22 0.00 0.00 56.10 55.84 3hj3 s TRP 389 Cb 0.02 -4.11 0.12 0.00 -1.50 0.00 0.00 33.47 27.99 3hj3 s TRP 389 CO 0.02 -1.33 0.32 1.21 -4.62 0.00 0.00 176.95 172.55 3hj3 s ASN 390 N 3.25 5.65 0.54 5.86 3.84 -1.26 -4.97 114.94 127.86 3hj3 s ASN 390 Ca 0.24 -1.91 0.32 0.00 0.21 0.00 0.00 52.86 51.73 3hj3 s ASN 390 Cb -0.10 -1.99 1.49 0.00 -0.55 0.00 0.00 41.25 40.09 3hj3 s ASN 390 CO -0.05 -0.67 1.87 -0.65 -2.79 0.00 0.00 177.10 174.81 3hj3 h PRO 391 N 8.40 0.00 0.00 0.43 0.11 -2.03 0.20 132.00 139.11 3hj3 h PRO 391 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3hj3 h PRO 391 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hj3 h PRO 391 CO 0.84 0.00 -0.35 0.77 -0.21 0.00 0.00 178.00 179.05 3hj3 h SER 392 N 0.00 0.00 0.00 -2.05 0.02 -2.01 -3.36 113.55 106.15 3hj3 h SER 392 Ca 0.43 -0.09 -0.33 0.00 -0.84 0.00 0.00 61.79 60.96 3hj3 h SER 392 Cb 1.76 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.23 3hj3 h SER 392 CO -0.00 0.04 -2.32 0.00 -1.14 0.00 0.00 176.83 173.41 3hj3 n ALA 393 N -1.88 1.62 -0.30 3.77 0.00 0.02 -4.74 120.51 119.01 3hj3 n ALA 393 Ca 0.04 -1.24 0.09 0.00 0.00 0.00 0.00 53.44 52.33 3hj3 n ALA 393 Cb 0.46 -0.22 0.18 0.00 0.00 0.00 0.00 19.45 19.87 3hj3 n ALA 393 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hj3 n LEU 394 N -2.69 -0.20 0.05 0.00 4.77 -1.00 0.15 117.00 118.08 3hj3 n LEU 394 Ca -0.30 1.43 0.08 0.00 -0.03 0.00 0.00 56.01 57.19 3hj3 n LEU 394 Cb 1.09 -0.47 0.35 0.00 -2.33 0.00 0.00 43.42 42.06 3hj3 n LEU 394 CO 0.42 -1.41 0.75 -1.54 -1.33 0.00 0.00 177.39 174.29 3hj3 n SER 395 N -5.29 0.25 -0.70 -1.43 3.41 -1.26 -1.29 113.62 107.32 3hj3 n SER 395 Ca 0.16 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.46 3hj3 n SER 395 Cb 0.53 -0.62 0.04 0.00 -0.26 0.00 0.00 64.21 63.90 3hj3 n SER 395 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hj3 n GLN 396 N -1.79 1.73 -3.08 4.33 6.02 0.40 -4.97 117.38 120.03 3hj3 n GLN 396 Ca 0.02 -1.42 -0.37 0.00 -0.01 0.00 0.00 57.00 55.22 3hj3 n GLN 396 Cb 0.16 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 3hj3 n GLN 396 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3hj3 s MET 397 N -2.18 4.34 0.63 -1.09 -1.94 -0.41 -4.26 119.30 114.39 3hj3 s MET 397 Ca 0.22 0.94 0.40 0.00 -1.71 0.00 0.00 55.69 55.55 3hj3 s MET 397 Cb 0.18 -3.00 2.15 0.00 2.01 0.00 0.00 34.83 36.17 3hj3 s MET 397 CO 0.43 0.45 2.28 0.00 -0.01 0.00 0.00 175.02 178.18 3hj3 h ALA 398 N 3.72 1.07 -1.90 3.03 0.00 -1.20 -3.41 119.26 120.57 3hj3 h ALA 398 Ca -0.48 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.45 3hj3 h ALA 398 Cb 1.20 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 3hj3 h ALA 398 CO 0.65 0.01 0.13 -1.17 0.00 0.00 0.00 179.25 178.87 3hj3 s LEU 399 N -6.39 -0.81 0.81 0.00 2.96 -1.26 -5.06 118.68 108.93 3hj3 s LEU 399 Ca -0.04 1.35 -0.10 0.00 -0.22 0.00 0.00 54.13 55.12 3hj3 s LEU 399 Cb 0.13 2.27 0.08 0.00 0.50 0.00 0.00 46.19 49.16 3hj3 s LEU 399 CO 0.46 -0.22 1.10 -2.84 -1.32 0.00 0.00 176.35 173.53 3hj3 s PRO 400 N 1.27 1.94 0.64 0.98 0.02 -1.26 -4.92 135.00 133.67 3hj3 s PRO 400 Ca -0.07 1.25 -0.16 0.00 0.02 0.00 0.00 61.00 62.04 3hj3 s PRO 400 Cb -0.05 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 3hj3 s PRO 400 CO -0.14 -1.89 1.12 -1.25 -0.33 0.00 0.00 177.00 174.50 3hj3 s PRO 401 N -4.84 2.85 -0.23 5.54 0.04 -1.26 -4.98 135.00 132.12 3hj3 s PRO 401 Ca 0.62 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 3hj3 s PRO 401 Cb -0.18 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.23 3hj3 s PRO 401 CO 0.57 -1.22 -0.04 0.00 0.04 0.00 0.00 177.00 176.34 3hj3 s HIS 403 N -2.48 3.01 -0.21 0.00 0.00 -1.26 -0.24 115.29 114.10 3hj3 s HIS 403 Ca -0.32 0.21 0.09 0.00 -3.00 0.00 0.00 55.06 52.03 3hj3 s HIS 403 Cb 0.10 -3.63 -0.19 0.00 -4.00 0.00 0.00 32.58 24.86 3hj3 s HIS 403 CO 0.59 -0.95 -0.08 0.28 -1.00 0.00 0.00 174.74 173.57 3hj3 n VAL 404 N 6.10 1.31 -3.59 -5.38 0.31 -0.65 -4.69 118.33 111.73 3hj3 n VAL 404 Ca 0.02 -0.64 -0.16 0.00 -0.01 0.00 0.00 64.34 63.55 3hj3 n VAL 404 Cb 0.48 -0.95 -0.07 0.00 -0.91 0.00 0.00 33.84 32.40 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 -5.90 -0.31 -0.18 7.52 0.20 -1.18 -1.01 118.68 117.82 3hj3 s LEU 405 Ca -0.21 0.69 -0.09 0.00 0.69 0.00 0.00 54.13 55.21 3hj3 s LEU 405 Cb 0.07 2.22 0.06 0.00 -0.43 0.00 0.00 46.19 48.11 3hj3 s LEU 405 CO 0.64 -0.51 0.43 -0.94 -0.29 0.00 0.00 176.35 175.68 3hj3 s SER 406 N -0.95 -0.51 -0.03 3.68 1.04 -0.46 0.05 113.70 116.53 3hj3 s SER 406 Ca -0.10 0.94 0.06 0.00 0.48 0.00 0.00 55.95 57.33 3hj3 s SER 406 Cb -0.02 0.88 -0.02 0.00 0.10 0.00 0.00 66.02 66.96 3hj3 s SER 406 CO 0.07 -0.20 -0.20 -1.58 0.98 0.00 0.00 173.24 172.31 3hj3 s GLN 407 N 1.57 2.28 0.07 4.02 0.74 0.47 -2.03 119.66 126.77 3hj3 s GLN 407 Ca -0.09 -0.83 0.07 0.00 0.05 0.00 0.00 55.36 54.56 3hj3 s GLN 407 Cb -0.09 -2.20 -0.03 0.00 1.10 0.00 0.00 33.01 31.80 3hj3 s GLN 407 CO -0.13 0.59 -0.19 0.71 -0.55 0.00 0.00 175.29 175.71 3hj3 s TYR 408 N -0.69 1.66 -0.23 1.67 2.02 -0.55 -0.97 117.35 120.26 3hj3 s TYR 408 Ca 0.11 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.38 3hj3 s TYR 408 Cb -0.10 -0.95 0.12 0.00 -0.40 0.00 0.00 41.96 40.62 3hj3 s TYR 408 CO 0.00 0.12 0.35 -0.47 -1.57 0.00 0.00 175.55 173.98 3hj3 s TYR 409 N -0.98 -0.71 -0.44 2.71 5.04 -0.85 -4.50 117.35 117.62 3hj3 s TYR 409 Ca 0.05 0.79 -0.24 0.00 -2.44 0.00 0.00 57.07 55.24 3hj3 s TYR 409 Cb -0.09 -0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.22 3hj3 s TYR 409 CO 0.03 -0.66 0.81 0.08 -1.34 0.00 0.00 175.55 174.47 3hj3 s VAL 410 N 2.51 4.62 0.62 3.14 1.01 -1.26 -0.91 120.40 130.14 3hj3 s VAL 410 Ca 0.10 0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 3hj3 s VAL 410 Cb -0.15 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 3hj3 s VAL 410 CO -0.15 -0.70 1.15 0.42 0.00 0.00 0.00 175.10 175.82 3hj3 s THR 411 N 3.36 2.92 0.41 3.92 -4.23 -0.15 -4.78 115.64 117.10 3hj3 s THR 411 Ca 0.32 0.50 0.23 0.00 -1.18 0.00 0.00 61.69 61.56 3hj3 s THR 411 Cb -0.12 -3.10 0.43 0.00 1.34 0.00 0.00 72.50 71.05 3hj3 s THR 411 CO 0.23 -0.19 1.71 0.78 -0.54 0.00 0.00 174.62 176.60 3hj3 h ASN 412 N 0.49 0.36 -0.45 3.99 -0.26 -1.96 0.80 115.58 118.54 3hj3 h ASN 412 Ca -0.49 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.36 3hj3 h ASN 412 Cb 1.27 0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.59 3hj3 h ASN 412 CO 0.54 -0.03 0.00 -0.90 -1.06 0.00 0.00 177.43 175.98 3hj3 n ASP 413 N -4.66 4.42 -1.06 5.81 5.75 -1.26 -4.93 116.55 120.62 3hj3 n ASP 413 Ca 0.30 -2.62 -0.06 0.00 -0.01 0.00 0.00 54.79 52.40 3hj3 n ASP 413 Cb 1.10 -0.61 0.01 0.00 -1.03 0.00 0.00 41.12 40.59 3hj3 n ASP 413 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3hj3 n ASN 414 N 0.56 -2.85 -4.98 -1.12 3.02 0.28 -4.95 115.26 105.22 3hj3 n ASN 414 Ca 0.21 -0.09 -0.19 0.00 -0.03 0.00 0.00 54.58 54.48 3hj3 n ASN 414 Cb 0.91 -1.76 -0.01 0.00 -0.61 0.00 0.00 39.78 38.32 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 -4.16 2.35 0.23 0.00 2.96 0.21 -0.98 118.68 119.30 3hj3 s LEU 416 Ca 0.45 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 3hj3 s LEU 416 Cb -0.09 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 3hj3 s LEU 416 CO 0.31 0.05 0.16 -0.44 -1.32 0.00 0.00 176.35 175.11 3hj3 s SER 417 N 1.02 5.41 0.00 3.68 0.01 -0.09 0.56 113.70 124.30 3hj3 s SER 417 Ca -0.02 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.01 3hj3 s SER 417 Cb -0.15 -1.35 -0.01 0.00 0.21 0.00 0.00 66.02 64.72 3hj3 s SER 417 CO -0.04 -0.01 -0.11 0.00 0.41 0.00 0.00 173.24 173.48 3hj3 s ASN 419 N -0.51 3.15 -0.15 0.00 0.02 -0.15 -0.67 114.94 116.63 3hj3 s ASN 419 Ca 0.03 -0.57 -0.01 0.00 -1.02 0.00 0.00 52.86 51.29 3hj3 s ASN 419 Cb -0.05 -1.44 -0.01 0.00 0.02 0.00 0.00 41.25 39.77 3hj3 s ASN 419 CO -0.00 0.12 -0.12 -0.22 0.02 0.00 0.00 177.10 176.90 3hj3 s LEU 420 N 0.57 2.69 -0.26 0.60 2.96 -0.65 -0.40 118.68 124.18 3hj3 s LEU 420 Ca -0.13 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.29 3hj3 s LEU 420 Cb -0.17 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 3hj3 s LEU 420 CO 0.04 0.12 0.22 -0.47 -1.32 0.00 0.00 176.35 174.94 3hj3 s TYR 421 N 0.62 3.25 -0.19 5.38 5.04 0.11 -0.89 117.35 130.67 3hj3 s TYR 421 Ca -0.07 0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 3hj3 s TYR 421 Cb -0.15 -2.39 0.02 0.00 0.35 0.00 0.00 41.96 39.78 3hj3 s TYR 421 CO 0.03 -0.11 -0.17 -1.14 -1.34 0.00 0.00 175.55 172.81 3hj3 s GLN 422 N 1.62 3.01 0.16 4.97 0.74 0.24 -1.64 119.66 128.76 3hj3 s GLN 422 Ca 0.09 -0.83 -0.09 0.00 0.05 0.00 0.00 55.36 54.58 3hj3 s GLN 422 Cb -0.15 -2.65 0.00 0.00 1.10 0.00 0.00 33.01 31.31 3hj3 s GLN 422 CO 0.09 -0.23 1.50 0.07 -0.55 0.00 0.00 175.29 176.18 3hj3 h ARG 423 N 7.96 0.90 -0.34 1.67 0.11 -0.91 0.40 114.38 124.17 3hj3 h ARG 423 Ca -0.44 -0.46 -0.28 0.00 0.10 0.00 0.00 59.98 58.90 3hj3 h ARG 423 Cb 1.14 0.01 -0.19 0.00 1.11 0.00 0.00 29.97 32.04 3hj3 h ARG 423 CO 0.63 1.11 -0.58 0.45 0.10 0.00 0.00 179.97 181.68 3hj3 n SER 424 N -4.06 -1.98 -4.69 0.08 2.88 -1.25 0.58 113.62 105.17 3hj3 n SER 424 Ca -0.02 -3.47 -0.44 0.00 -1.33 0.00 0.00 58.87 53.61 3hj3 n SER 424 Cb 0.53 1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 65.43 3hj3 n SER 424 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hj3 s ASP 426 N 2.04 6.52 0.40 0.00 3.68 -1.26 -3.34 116.67 124.72 3hj3 s ASP 426 Ca 0.81 0.23 0.08 0.00 2.13 0.00 0.00 52.55 55.80 3hj3 s ASP 426 Cb -0.56 -2.41 0.86 0.00 -1.45 0.00 0.00 42.92 39.37 3hj3 s ASP 426 CO 0.38 -0.84 2.01 -0.07 0.13 0.00 0.00 175.17 176.78 3hj3 h LEU 427 N 9.99 0.51 -0.04 -1.34 4.07 -1.45 -0.63 115.31 126.42 3hj3 h LEU 427 Ca -0.24 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.69 3hj3 h LEU 427 Cb 1.09 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.71 3hj3 h LEU 427 CO 0.95 0.34 -0.07 1.23 -1.08 0.00 0.00 178.44 179.81 3hj3 h GLY 428 N 0.58 0.14 0.00 0.83 0.00 -1.94 -3.39 103.07 99.29 3hj3 h GLY 428 Ca 0.23 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 47.16 3hj3 h GLY 428 CO -0.06 0.14 -1.75 1.04 0.00 0.00 0.00 176.54 175.91 3hj3 n LEU 429 N -4.71 1.13 -0.04 3.11 4.32 -1.13 -4.69 117.00 114.99 3hj3 n LEU 429 Ca -0.08 0.19 -0.13 0.00 -0.02 0.00 0.00 56.01 55.98 3hj3 n LEU 429 Cb 0.32 -0.47 -0.07 0.00 -1.62 0.00 0.00 43.42 41.58 3hj3 n LEU 429 CO 0.36 0.25 0.66 1.23 -1.22 0.00 0.00 177.39 178.66 3hj3 h GLY 430 N -0.56 0.27 0.31 -0.72 0.00 -1.41 -3.22 103.07 97.74 3hj3 h GLY 430 Ca -0.36 -0.25 0.07 0.00 0.00 0.00 0.00 47.33 46.79 3hj3 h GLY 430 CO -0.22 0.22 -0.09 0.23 0.00 0.00 0.00 176.54 176.69 3hj3 h SER 431 N -0.12 -0.33 0.28 0.19 0.87 -1.54 -0.03 113.55 112.87 3hj3 h SER 431 Ca 0.02 0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 3hj3 h SER 431 Cb 0.54 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 3hj3 h SER 431 CO 0.02 -0.12 -0.26 -0.65 -0.53 0.00 0.00 176.83 175.30 3hj3 h PRO 432 N -0.00 0.00 0.06 2.24 0.11 -1.76 -1.52 132.00 131.13 3hj3 h PRO 432 Ca 0.16 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3hj3 h PRO 432 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3hj3 h PRO 432 CO -0.36 0.26 -0.03 0.74 -0.21 0.00 0.00 178.00 178.40 3hj3 h PHE 433 N 0.00 -0.08 -1.00 0.65 -1.00 -1.22 -2.97 116.94 111.33 3hj3 h PHE 433 Ca -0.00 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.80 3hj3 h PHE 433 Cb 0.46 0.03 -0.05 0.00 3.61 0.00 0.00 35.95 40.00 3hj3 h PHE 433 CO 0.00 0.00 0.66 -0.91 -1.61 0.00 0.00 178.31 176.45 3hj3 h ASN 434 N -0.14 1.12 0.06 2.17 2.35 -0.35 0.11 115.58 120.90 3hj3 h ASN 434 Ca -0.01 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3hj3 h ASN 434 Cb 0.11 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 3hj3 h ASN 434 CO 0.01 0.80 -0.29 0.40 -1.65 0.00 0.00 177.43 176.70 3hj3 h ILE 435 N 1.32 0.36 -0.48 2.81 2.04 -1.29 -0.70 117.51 121.56 3hj3 h ILE 435 Ca 0.38 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.21 3hj3 h ILE 435 Cb -0.10 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3hj3 h ILE 435 CO -0.10 0.00 0.21 0.00 0.00 0.00 0.00 178.15 178.27 3hj3 h ALA 436 N 0.25 0.63 0.80 1.87 0.00 -1.34 -2.41 119.26 119.07 3hj3 h ALA 436 Ca 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3hj3 h ALA 436 Cb 0.53 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hj3 h ALA 436 CO -0.21 0.21 -0.42 1.03 0.00 0.00 0.00 179.25 179.86 3hj3 h SER 437 N 0.64 -1.02 0.46 0.00 0.87 -0.45 -1.43 113.55 112.62 3hj3 h SER 437 Ca 0.16 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 3hj3 h SER 437 Cb 0.16 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3hj3 h SER 437 CO -0.02 -0.69 -0.41 1.88 -0.53 0.00 0.00 176.83 177.07 3hj3 h TYR 438 N -1.13 0.00 0.02 2.24 0.05 -1.22 0.20 116.97 117.14 3hj3 h TYR 438 Ca -0.11 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.70 3hj3 h TYR 438 Cb 0.88 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.57 3hj3 h TYR 438 CO -0.05 0.41 -0.38 0.00 -1.05 0.00 0.00 178.16 177.09 3hj3 h ALA 439 N 1.59 -0.61 0.05 3.88 0.00 -1.29 -0.51 119.26 122.37 3hj3 h ALA 439 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hj3 h ALA 439 Cb 0.75 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3hj3 h ALA 439 CO 0.05 -0.91 -0.02 0.82 0.00 0.00 0.00 179.25 179.19 3hj3 h ILE 440 N -0.55 1.04 -1.00 0.00 2.04 -0.58 -0.76 117.51 117.70 3hj3 h ILE 440 Ca 0.05 -0.27 0.23 0.00 1.00 0.00 0.00 64.86 65.87 3hj3 h ILE 440 Cb 0.62 1.21 -0.10 0.00 -0.74 0.00 0.00 36.82 37.82 3hj3 h ILE 440 CO -0.28 0.07 0.63 0.25 0.00 0.00 0.00 178.15 178.81 3hj3 h LEU 441 N -0.18 0.59 -0.33 1.44 5.85 -0.58 0.20 115.31 122.30 3hj3 h LEU 441 Ca -0.01 0.09 -0.20 0.00 0.84 0.00 0.00 57.88 58.61 3hj3 h LEU 441 Cb 0.16 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 3hj3 h LEU 441 CO 0.01 0.16 -0.79 0.74 -0.34 0.00 0.00 178.44 178.23 3hj3 h THR 442 N 0.54 1.38 -0.37 1.05 2.02 -0.68 -0.61 112.91 116.24 3hj3 h THR 442 Ca 0.58 -2.22 -0.12 0.00 0.77 0.00 0.00 66.41 65.42 3hj3 h THR 442 Cb 1.21 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 3hj3 h THR 442 CO -0.33 0.67 -0.24 0.24 0.37 0.00 0.00 175.52 176.23 3hj3 h MET 443 N 0.28 0.81 0.03 6.66 2.86 0.41 -1.05 114.93 124.93 3hj3 h MET 443 Ca -0.04 -0.38 0.01 0.00 -2.06 0.00 0.00 59.70 57.23 3hj3 h MET 443 Cb 1.38 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 3hj3 h MET 443 CO 0.14 1.01 -0.09 0.52 1.06 0.00 0.00 176.91 179.55 3hj3 h MET 444 N 0.60 -0.16 -0.31 1.72 2.07 -0.62 -0.63 114.93 117.60 3hj3 h MET 444 Ca 0.08 0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.72 3hj3 h MET 444 Cb 0.80 0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.55 3hj3 h MET 444 CO 0.07 -0.11 0.21 -0.07 1.07 0.00 0.00 176.91 178.07 3hj3 h LEU 445 N -0.17 0.35 -0.31 1.22 3.38 -1.09 -2.17 115.31 116.52 3hj3 h LEU 445 Ca 0.02 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3hj3 h LEU 445 Cb 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hj3 h LEU 445 CO -0.07 0.25 -0.31 0.00 0.09 0.00 0.00 178.44 178.40 3hj3 h ALA 446 N 1.81 0.46 0.84 1.53 0.00 -0.35 -1.05 119.26 122.49 3hj3 h ALA 446 Ca 0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3hj3 h ALA 446 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hj3 h ALA 446 CO -0.03 0.50 -0.44 0.37 0.00 0.00 0.00 179.25 179.66 3hj3 h GLN 447 N 0.53 -1.13 -0.71 0.00 4.15 -0.84 0.15 115.11 117.25 3hj3 h GLN 447 Ca 0.05 0.08 0.21 0.00 0.77 0.00 0.00 58.65 59.75 3hj3 h GLN 447 Cb 0.89 0.26 -0.03 0.00 0.21 0.00 0.00 27.48 28.81 3hj3 h GLN 447 CO 0.08 -0.75 0.51 0.28 -1.93 0.00 0.00 178.83 177.02 3hj3 h VAL 448 N -1.17 0.65 -0.02 2.39 2.07 -1.41 -2.42 116.25 116.33 3hj3 h VAL 448 Ca -0.11 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3hj3 h VAL 448 Cb 0.91 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3hj3 h VAL 448 CO 0.17 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.58 3hj3 n GLY 450 N 1.15 0.64 3.70 0.00 0.00 -0.88 -4.80 105.19 105.01 3hj3 n GLY 450 Ca 0.09 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 3hj3 n GLY 450 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hj3 s TYR 451 N -2.00 2.10 0.10 1.61 1.51 0.49 -5.03 117.35 116.13 3hj3 s TYR 451 Ca 0.00 -0.86 0.02 0.00 -1.01 0.00 0.00 57.07 55.22 3hj3 s TYR 451 Cb 0.00 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 3hj3 s TYR 451 CO 0.00 0.30 0.21 -1.21 -1.11 0.00 0.00 175.55 173.74 3hj3 s GLU 452 N -3.81 3.33 0.21 -0.62 0.41 -0.82 -4.17 118.70 113.22 3hj3 s GLU 452 Ca 0.17 -0.56 -0.30 0.00 -0.41 0.00 0.00 54.97 53.87 3hj3 s GLU 452 Cb 0.05 -2.94 -0.09 0.00 -1.78 0.00 0.00 34.13 29.37 3hj3 s GLU 452 CO 0.09 0.56 1.21 -1.25 -0.49 0.00 0.00 175.26 175.38 3hj3 s PRO 453 N -2.81 4.49 0.00 0.39 0.04 -1.26 0.65 135.00 136.50 3hj3 s PRO 453 Ca 0.34 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.29 3hj3 s PRO 453 Cb -0.12 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3hj3 s PRO 453 CO 0.27 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.65 3hj3 n GLY 454 N 1.94 0.39 3.42 0.56 0.00 0.19 -3.94 105.19 107.74 3hj3 n GLY 454 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3hj3 n GLY 454 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hj3 s GLU 455 N 1.75 1.51 -0.10 1.61 2.02 -1.25 -1.14 118.70 123.10 3hj3 s GLU 455 Ca 0.00 -1.56 0.01 0.00 0.02 0.00 0.00 54.97 53.45 3hj3 s GLU 455 Cb 0.00 -1.75 0.02 0.00 0.10 0.00 0.00 34.13 32.50 3hj3 s GLU 455 CO 0.00 0.36 -0.13 -1.17 0.02 0.00 0.00 175.26 174.34 3hj3 s LEU 456 N -2.84 1.61 -0.10 1.80 2.96 -0.60 0.56 118.68 122.07 3hj3 s LEU 456 Ca 0.22 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 3hj3 s LEU 456 Cb -0.07 -0.99 0.00 0.00 0.50 0.00 0.00 46.19 45.63 3hj3 s LEU 456 CO 0.10 -0.01 -0.22 0.00 -1.32 0.00 0.00 176.35 174.91 3hj3 s ALA 457 N 1.06 2.01 -0.17 5.97 0.00 0.15 -0.38 121.76 130.40 3hj3 s ALA 457 Ca -0.06 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 3hj3 s ALA 457 Cb -0.15 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 3hj3 s ALA 457 CO -0.02 0.24 -0.12 0.42 0.00 0.00 0.00 175.76 176.28 3hj3 s ILE 458 N 0.43 2.96 -0.23 0.00 1.01 0.26 -1.63 121.20 124.00 3hj3 s ILE 458 Ca -0.18 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 3hj3 s ILE 458 Cb -0.17 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 3hj3 s ILE 458 CO 0.07 0.50 0.09 -0.36 0.00 0.00 0.00 174.94 175.24 3hj3 s PHE 459 N 0.86 3.17 -0.00 3.97 0.40 -0.07 -0.73 117.98 125.59 3hj3 s PHE 459 Ca -0.03 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.20 3hj3 s PHE 459 Cb -0.15 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 3hj3 s PHE 459 CO -0.00 -0.11 -0.03 0.42 0.70 0.00 0.00 175.22 176.20 3hj3 s ILE 460 N 1.11 3.91 0.00 0.64 -1.09 0.20 -0.59 121.20 125.38 3hj3 s ILE 460 Ca 0.05 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 3hj3 s ILE 460 Cb -0.14 -2.72 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 3hj3 s ILE 460 CO 0.04 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 3hj3 n GLY 461 N 1.51 1.02 3.55 6.18 0.00 0.14 -1.83 105.19 115.76 3hj3 n GLY 461 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 6.48 -0.36 1.61 3.68 0.19 -1.49 116.67 125.78 3hj3 s ASP 462 Ca 0.00 -1.39 -0.22 0.00 2.13 0.00 0.00 52.55 53.06 3hj3 s ASP 462 Cb 0.00 -2.56 0.01 0.00 -1.45 0.00 0.00 42.92 38.92 3hj3 s ASP 462 CO 0.00 -1.52 0.75 0.00 0.13 0.00 0.00 175.17 174.53 3hj3 s ALA 463 N 4.93 3.44 0.20 3.66 0.00 -0.07 -4.03 121.76 129.89 3hj3 s ALA 463 Ca 0.44 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 3hj3 s ALA 463 Cb -0.01 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3hj3 s ALA 463 CO -0.08 -1.45 0.20 -3.38 0.00 0.00 0.00 175.76 171.05 3hj3 s HIS 464 N 3.00 0.91 -0.07 0.00 -0.00 -1.21 -1.89 115.29 116.03 3hj3 s HIS 464 Ca 0.30 -1.19 0.03 0.00 -0.00 0.00 0.00 55.06 54.19 3hj3 s HIS 464 Cb -0.14 -0.37 0.01 0.00 -0.00 0.00 0.00 32.58 32.08 3hj3 s HIS 464 CO 0.16 -0.70 -0.15 0.42 -0.00 0.00 0.00 174.74 174.47 3hj3 s ILE 465 N -4.10 1.35 0.33 -5.38 1.01 -0.68 -0.98 121.20 112.74 3hj3 s ILE 465 Ca 0.32 -0.61 -0.27 0.00 0.00 0.00 0.00 60.65 60.09 3hj3 s ILE 465 Cb 0.05 -1.20 -0.09 0.00 0.01 0.00 0.00 42.46 41.23 3hj3 s ILE 465 CO 0.09 0.40 1.06 -0.31 0.00 0.00 0.00 174.94 176.19 3hj3 s TYR 466 N 0.53 3.48 0.43 3.97 2.02 -1.26 -1.77 117.35 124.74 3hj3 s TYR 466 Ca -0.14 1.69 0.33 0.00 -0.37 0.00 0.00 57.07 58.58 3hj3 s TYR 466 Cb -0.16 -3.18 1.71 0.00 -0.40 0.00 0.00 41.96 39.93 3hj3 s TYR 466 CO 0.05 -0.49 2.14 1.05 -1.57 0.00 0.00 175.55 176.73 3hj3 h GLU 467 N 3.25 0.00 -0.29 -0.62 4.11 -1.33 0.25 114.58 119.95 3hj3 h GLU 467 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3hj3 h GLU 467 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3hj3 h GLU 467 CO 0.65 0.06 0.00 0.27 0.07 0.00 0.00 179.01 180.06 3hj3 n ASN 468 N -3.40 1.02 -0.38 3.06 2.04 -1.26 -2.94 115.26 113.40 3hj3 n ASN 468 Ca -0.02 -2.03 0.05 0.00 -0.44 0.00 0.00 54.58 52.14 3hj3 n ASN 468 Cb 0.20 -0.18 0.04 0.00 -2.53 0.00 0.00 39.78 37.31 3hj3 n ASN 468 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 3hj3 n HIS 469 N -0.03 0.01 0.13 -2.53 8.25 0.89 -4.82 115.22 117.13 3hj3 n HIS 469 Ca 0.05 -0.01 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 3hj3 n HIS 469 Cb 0.19 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 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 1.86 -0.46 -0.60 2.41 4.07 -1.64 0.30 115.31 121.24 3hj3 h LEU 470 Ca 0.00 0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.93 3hj3 h LEU 470 Cb 0.40 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 3hj3 h LEU 470 CO 0.00 -0.26 0.07 0.71 -1.08 0.00 0.00 178.44 177.88 3hj3 h THR 471 N -0.37 1.26 -0.27 0.22 1.35 -1.88 -0.69 112.91 112.54 3hj3 h THR 471 Ca 0.00 -1.04 -0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3hj3 h THR 471 Cb 0.36 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 3hj3 h THR 471 CO -0.05 0.38 0.16 1.56 -0.25 0.00 0.00 175.52 177.32 3hj3 h GLN 472 N 0.91 0.37 -0.01 4.72 7.50 -1.79 -1.14 115.11 125.67 3hj3 h GLN 472 Ca 0.18 -0.04 -0.12 0.00 0.50 0.00 0.00 58.65 59.17 3hj3 h GLN 472 Cb 0.47 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.90 3hj3 h GLN 472 CO 0.02 0.30 -0.58 -0.07 -1.50 0.00 0.00 178.83 177.00 3hj3 h LEU 473 N 0.33 0.04 -1.07 1.46 3.38 -0.81 -1.47 115.31 117.18 3hj3 h LEU 473 Ca 0.10 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3hj3 h LEU 473 Cb 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3hj3 h LEU 473 CO -0.02 0.61 -0.01 0.11 0.09 0.00 0.00 178.44 179.22 3hj3 h LYS 474 N 0.03 0.64 -0.08 1.13 6.56 -0.89 0.39 116.57 124.35 3hj3 h LYS 474 Ca -0.01 -0.16 -0.00 0.00 -1.06 0.00 0.00 60.65 59.42 3hj3 h LYS 474 Cb 1.03 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 32.60 3hj3 h LYS 474 CO 0.08 0.67 0.04 1.49 -2.06 0.00 0.00 179.45 179.67 3hj3 h GLU 475 N 0.61 0.11 -0.64 3.15 4.57 -0.59 -2.86 114.58 118.93 3hj3 h GLU 475 Ca 0.12 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.37 3hj3 h GLU 475 Cb 0.40 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.90 3hj3 h GLU 475 CO 0.02 0.18 0.29 0.37 -1.18 0.00 0.00 179.01 178.70 3hj3 h GLN 476 N 0.01 0.50 0.00 1.92 4.15 -0.86 -0.34 115.11 120.50 3hj3 h GLN 476 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3hj3 h GLN 476 Cb 0.11 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3hj3 h GLN 476 CO -0.00 0.33 0.00 1.28 -1.93 0.00 0.00 178.83 178.51 3hj3 n LEU 477 N -4.91 0.08 -0.75 -2.39 4.77 0.09 -1.46 117.00 112.43 3hj3 n LEU 477 Ca 0.09 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 3hj3 n LEU 477 Cb 0.25 -0.53 0.32 0.00 -2.33 0.00 0.00 43.42 41.13 3hj3 n LEU 477 CO 0.24 -0.45 0.75 -1.54 -1.33 0.00 0.00 177.39 175.07 3hj3 n SER 478 N -1.60 2.28 -4.56 -1.43 3.41 -0.14 -4.21 113.62 107.38 3hj3 n SER 478 Ca 0.01 -1.77 -0.35 0.00 -0.26 0.00 0.00 58.87 56.50 3hj3 n SER 478 Cb 0.07 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.84 3.84 -0.03 4.33 0.52 -0.53 -4.95 118.95 120.29 3hj3 s ARG 479 Ca 0.34 -0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 54.85 3hj3 s ARG 479 Cb 0.20 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 3hj3 s ARG 479 CO 0.30 0.13 1.09 0.99 0.02 0.00 0.00 175.30 177.83 3hj3 s THR 480 N 0.75 4.52 0.86 0.02 2.01 -1.26 -4.87 115.64 117.66 3hj3 s THR 480 Ca 0.03 1.81 -0.13 0.00 0.31 0.00 0.00 61.69 63.70 3hj3 s THR 480 Cb -0.14 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.25 3hj3 s THR 480 CO 0.02 0.06 0.69 -2.65 -0.69 0.00 0.00 174.62 172.05 3hj3 n PRO 481 N 4.57 -0.06 -4.33 4.92 -0.02 -1.26 -4.94 135.00 133.88 3hj3 n PRO 481 Ca 0.09 0.04 -0.17 0.00 -2.02 0.00 0.00 63.50 61.43 3hj3 n PRO 481 Cb 0.48 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 3hj3 n PRO 481 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hj3 s ARG 482 N -3.63 1.31 0.33 -0.52 0.52 -1.26 -5.07 118.95 110.62 3hj3 s ARG 482 Ca 0.64 -1.63 -0.26 0.00 -0.52 0.00 0.00 55.73 53.95 3hj3 s ARG 482 Cb -0.26 -0.74 -0.13 0.00 0.52 0.00 0.00 34.95 34.33 3hj3 s ARG 482 CO 0.60 -0.01 0.92 -2.30 0.02 0.00 0.00 175.30 174.53 3hj3 n PRO 483 N -0.39 1.18 -1.38 3.54 -0.02 -1.26 -4.78 135.00 131.89 3hj3 n PRO 483 Ca -0.07 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.51 3hj3 n PRO 483 Cb 0.63 -1.80 0.09 0.00 -0.02 0.00 0.00 33.50 32.39 3hj3 n PRO 483 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3hj3 s PHE 484 N -1.16 2.42 0.79 6.00 0.08 -1.26 -4.83 117.98 120.03 3hj3 s PHE 484 Ca 0.60 1.59 -0.09 0.00 0.12 0.00 0.00 56.93 59.16 3hj3 s PHE 484 Cb -0.67 -3.17 0.17 0.00 -0.57 0.00 0.00 43.02 38.79 3hj3 s PHE 484 CO 0.59 -1.96 1.08 -0.35 -0.10 0.00 0.00 175.22 174.48 3hj3 n PRO 485 N -3.16 -0.69 -4.18 0.24 -0.04 -1.26 -4.79 135.00 121.13 3hj3 n PRO 485 Ca 0.10 -2.14 -0.26 0.00 -0.04 0.00 0.00 63.50 61.16 3hj3 n PRO 485 Cb 0.52 -0.97 -0.07 0.00 -0.04 0.00 0.00 33.50 32.95 3hj3 n PRO 485 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3hj3 s GLN 486 N -5.31 2.56 -0.05 0.54 -1.52 0.51 -0.60 119.66 115.79 3hj3 s GLN 486 Ca 0.65 -1.07 -0.01 0.00 -1.95 0.00 0.00 55.36 52.98 3hj3 s GLN 486 Cb -0.03 -2.43 0.03 0.00 -0.22 0.00 0.00 33.01 30.37 3hj3 s GLN 486 CO 0.45 0.45 0.02 -1.17 -0.25 0.00 0.00 175.29 174.79 3hj3 s LEU 487 N -3.12 0.59 0.11 2.90 0.20 -1.26 -1.28 118.68 116.81 3hj3 s LEU 487 Ca 0.29 -0.01 0.07 0.00 0.69 0.00 0.00 54.13 55.17 3hj3 s LEU 487 Cb -0.09 -0.27 -0.03 0.00 -0.43 0.00 0.00 46.19 45.36 3hj3 s LEU 487 CO 0.20 -0.19 -0.18 -0.54 -0.29 0.00 0.00 176.35 175.35 3hj3 s LYS 488 N 1.78 1.07 -0.18 1.98 -0.14 -0.43 -4.96 119.74 118.85 3hj3 s LYS 488 Ca 0.01 -1.16 -0.14 0.00 -1.36 0.00 0.00 55.97 53.32 3hj3 s LYS 488 Cb -0.13 -1.20 -0.05 0.00 -1.68 0.00 0.00 37.83 34.78 3hj3 s LYS 488 CO -0.03 0.27 0.30 -0.06 -0.76 0.00 0.00 175.35 175.06 3hj3 s PHE 489 N -1.44 3.42 -0.31 3.18 0.08 -1.26 -0.28 117.98 121.36 3hj3 s PHE 489 Ca 0.06 0.55 0.27 0.00 0.12 0.00 0.00 56.93 57.94 3hj3 s PHE 489 Cb -0.09 -2.37 1.03 0.00 -0.57 0.00 0.00 43.02 41.02 3hj3 s PHE 489 CO 0.04 0.16 1.80 0.87 -0.10 0.00 0.00 175.22 177.99 3hj3 h LYS 490 N 6.94 0.00 -3.73 0.44 1.57 0.11 -3.46 116.57 118.44 3hj3 h LYS 490 Ca -0.40 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.28 3hj3 h LYS 490 Cb 1.16 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.32 3hj3 h LYS 490 CO 0.74 0.00 -0.41 -0.98 -0.57 0.00 0.00 179.45 178.23 3hj3 s ARG 491 N -3.40 0.75 -0.25 3.15 1.70 -1.26 -5.10 118.95 114.54 3hj3 s ARG 491 Ca 0.04 -0.82 -0.22 0.00 -0.47 0.00 0.00 55.73 54.26 3hj3 s ARG 491 Cb 0.09 0.30 -0.01 0.00 -0.57 0.00 0.00 34.95 34.76 3hj3 s ARG 491 CO 0.50 -0.22 0.72 0.21 -1.08 0.00 0.00 175.30 175.42 3hj3 s LYS 492 N -3.24 4.15 0.56 3.89 2.20 -1.26 -5.06 119.74 120.98 3hj3 s LYS 492 Ca 0.00 0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 56.31 3hj3 s LYS 492 Cb 0.02 -3.64 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 3hj3 s LYS 492 CO -0.08 -0.45 0.82 0.14 -0.36 0.00 0.00 175.35 175.43 3hj3 s VAL 493 N 2.62 3.19 -0.23 4.02 -7.23 -1.26 -5.05 120.40 116.45 3hj3 s VAL 493 Ca 0.30 -0.39 -0.03 0.00 -1.81 0.00 0.00 61.98 60.05 3hj3 s VAL 493 Cb -0.15 -3.24 -0.13 0.00 0.56 0.00 0.00 36.38 33.42 3hj3 s VAL 493 CO 0.08 -0.20 -0.24 -1.84 -0.31 0.00 0.00 175.10 172.59 3hj3 n GLU 494 N -2.44 0.55 -4.40 4.82 0.28 -1.26 -4.85 120.64 113.34 3hj3 n GLU 494 Ca 0.05 0.17 -0.33 0.00 -0.16 0.00 0.00 57.16 56.89 3hj3 n GLU 494 Cb 0.59 -1.42 -0.10 0.00 1.43 0.00 0.00 31.44 31.94 3hj3 n GLU 494 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3hj3 s ASN 495 N -6.57 4.85 0.60 -1.84 3.84 -1.26 -5.01 114.94 109.55 3hj3 s ASN 495 Ca -0.32 -0.07 0.35 0.00 0.21 0.00 0.00 52.86 53.04 3hj3 s ASN 495 Cb 0.10 -1.20 1.92 0.00 -0.55 0.00 0.00 41.25 41.52 3hj3 s ASN 495 CO 0.49 0.29 2.23 -0.29 -2.79 0.00 0.00 177.10 177.03 3hj3 h ILE 496 N 3.73 0.29 0.00 -5.21 2.10 -1.95 -2.32 117.51 114.15 3hj3 h ILE 496 Ca -0.49 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.28 3hj3 h ILE 496 Cb 1.17 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 38.03 3hj3 h ILE 496 CO 0.55 0.03 0.00 -1.84 -1.08 0.00 0.00 178.15 175.81 3hj3 n GLU 497 N -3.45 0.87 0.00 2.19 0.28 -1.26 -3.35 120.64 115.92 3hj3 n GLU 497 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.10 3hj3 n GLU 497 Cb 0.14 -1.22 0.20 0.00 1.43 0.00 0.00 31.44 31.98 3hj3 n GLU 497 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3hj3 n ASP 498 N -0.72 1.94 -4.76 -1.84 10.43 -0.87 -4.95 116.55 115.77 3hj3 n ASP 498 Ca 0.09 -1.48 -0.39 0.00 2.57 0.00 0.00 54.79 55.58 3hj3 n ASP 498 Cb 0.04 0.21 0.01 0.00 1.84 0.00 0.00 41.12 43.22 3hj3 n ASP 498 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3hj3 s PHE 499 N -2.29 2.64 0.06 1.24 0.40 -1.21 -5.03 117.98 113.78 3hj3 s PHE 499 Ca 0.25 1.38 0.03 0.00 -0.60 0.00 0.00 56.93 58.00 3hj3 s PHE 499 Cb 0.19 -3.72 -0.03 0.00 0.51 0.00 0.00 43.02 39.97 3hj3 s PHE 499 CO 0.46 -2.39 -0.10 0.15 0.70 0.00 0.00 175.22 174.04 3hj3 s LYS 500 N -2.47 0.68 0.23 0.44 -0.14 -1.26 -5.02 119.74 112.19 3hj3 s LYS 500 Ca 0.61 -0.90 -0.15 0.00 -1.36 0.00 0.00 55.97 54.17 3hj3 s LYS 500 Cb -0.39 -0.49 0.27 0.00 -1.68 0.00 0.00 37.83 35.54 3hj3 s LYS 500 CO 0.49 0.09 1.58 2.35 -0.76 0.00 0.00 175.35 179.10 3hj3 h TRP 501 N 4.23 -0.74 -0.91 3.18 -0.00 -1.96 0.73 115.95 120.48 3hj3 h TRP 501 Ca -0.38 0.08 0.26 0.00 -0.00 0.00 0.00 58.89 58.86 3hj3 h TRP 501 Cb 1.20 0.45 -0.04 0.00 -0.00 0.00 0.00 29.16 30.77 3hj3 h TRP 501 CO 0.64 -0.38 0.69 0.93 -0.00 0.00 0.00 178.44 180.32 3hj3 h GLU 502 N -0.04 0.00 0.00 2.65 3.07 -2.01 -0.29 114.58 117.95 3hj3 h GLU 502 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3hj3 h GLU 502 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3hj3 h GLU 502 CO -0.85 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 176.32 3hj3 h ASP 503 N 0.00 0.00 -3.03 1.42 3.45 -1.25 -3.45 116.42 113.55 3hj3 h ASP 503 Ca 0.43 0.00 -0.64 0.00 0.43 0.00 0.00 57.03 57.25 3hj3 h ASP 503 Cb 1.80 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 40.45 3hj3 h ASP 503 CO -0.00 0.00 -0.52 -0.63 -1.57 0.00 0.00 179.24 176.51 3hj3 s ILE 504 N -3.66 5.14 -0.22 0.35 1.01 -0.12 0.15 121.20 123.85 3hj3 s ILE 504 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.74 3hj3 s ILE 504 Cb 0.09 -3.27 0.04 0.00 0.01 0.00 0.00 42.46 39.33 3hj3 s ILE 504 CO 0.37 0.54 -0.13 -0.70 0.00 0.00 0.00 174.94 175.02 3hj3 s GLU 505 N -0.38 2.34 -0.41 2.79 2.12 0.61 -4.92 118.70 120.85 3hj3 s GLU 505 Ca 0.10 -1.02 -0.22 0.00 0.36 0.00 0.00 54.97 54.19 3hj3 s GLU 505 Cb -0.12 -2.63 0.02 0.00 0.26 0.00 0.00 34.13 31.66 3hj3 s GLU 505 CO 0.02 -0.42 0.71 -1.17 -0.54 0.00 0.00 175.26 173.85 3hj3 s LEU 506 N 1.26 4.29 -0.33 2.70 0.20 -1.26 -1.31 118.68 124.23 3hj3 s LEU 506 Ca -0.02 -0.02 -0.09 0.00 0.69 0.00 0.00 54.13 54.68 3hj3 s LEU 506 Cb -0.17 -2.87 0.01 0.00 -0.43 0.00 0.00 46.19 42.73 3hj3 s LEU 506 CO -0.08 -0.77 0.14 -0.63 -0.29 0.00 0.00 176.35 174.72 3hj3 s ILE 507 N 3.00 4.33 0.00 6.68 1.09 -0.40 -4.69 121.20 131.21 3hj3 s ILE 507 Ca 0.27 -0.71 0.00 0.00 -1.10 0.00 0.00 60.65 59.11 3hj3 s ILE 507 Cb -0.13 -3.31 0.00 0.00 -1.06 0.00 0.00 42.46 37.96 3hj3 s ILE 507 CO 0.19 -0.05 0.00 0.61 -0.10 0.00 0.00 174.94 175.59 3hj3 n GLY 508 N 4.94 1.31 3.56 6.18 0.00 -1.26 -0.36 105.19 119.55 3hj3 n GLY 508 Ca -0.13 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3hj3 n GLY 508 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hj3 s TYR 509 N -2.00 2.73 -0.59 1.61 6.04 -1.26 -4.44 117.35 119.44 3hj3 s TYR 509 Ca 0.00 0.31 0.06 0.00 0.04 0.00 0.00 57.07 57.48 3hj3 s TYR 509 Cb 0.00 -4.29 0.25 0.00 -1.04 0.00 0.00 41.96 36.88 3hj3 s TYR 509 CO 0.00 -1.41 0.71 0.66 -1.54 0.00 0.00 175.55 173.97 3hj3 n TYR 510 N 7.89 2.88 -1.79 4.97 4.01 -1.26 -5.09 117.16 128.78 3hj3 n TYR 510 Ca 0.06 -4.04 -0.30 0.00 -0.16 0.00 0.00 57.90 53.47 3hj3 n TYR 510 Cb 0.48 -0.52 0.17 0.00 -0.31 0.00 0.00 39.34 39.16 3hj3 n TYR 510 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3hj3 s PRO 511 N -2.28 0.77 0.60 -0.72 0.04 -1.26 -4.96 135.00 127.19 3hj3 s PRO 511 Ca 0.39 -0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.24 3hj3 s PRO 511 Cb 0.16 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.90 3hj3 s PRO 511 CO -0.03 -2.36 0.85 0.71 0.04 0.00 0.00 177.00 176.21 3hj3 s TYR 512 N -3.66 2.88 0.59 0.56 1.51 -0.76 -4.91 117.35 113.57 3hj3 s TYR 512 Ca 0.70 0.14 -0.18 0.00 -1.01 0.00 0.00 57.07 56.73 3hj3 s TYR 512 Cb -0.07 -2.90 -0.08 0.00 -0.11 0.00 0.00 41.96 38.80 3hj3 s TYR 512 CO 0.52 -1.05 0.49 -2.30 -1.11 0.00 0.00 175.55 172.10 3hj3 n PRO 513 N -2.54 0.46 -1.91 -1.71 -0.02 -1.26 -2.13 135.00 125.89 3hj3 n PRO 513 Ca 0.08 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 3hj3 n PRO 513 Cb 0.60 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 3hj3 n PRO 513 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hj3 s THR 514 N -1.76 2.48 -0.26 3.45 -4.23 -1.26 -3.49 115.64 110.57 3hj3 s THR 514 Ca 0.68 0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 61.47 3hj3 s THR 514 Cb -0.43 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 3hj3 s THR 514 CO 0.55 0.04 0.11 -0.63 -0.54 0.00 0.00 174.62 174.15 3hj3 s ILE 515 N 0.65 4.63 0.11 2.99 1.01 -1.26 -4.90 121.20 124.42 3hj3 s ILE 515 Ca 0.67 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.95 3hj3 s ILE 515 Cb -0.44 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 3hj3 s ILE 515 CO 0.37 0.31 1.11 -0.54 0.00 0.00 0.00 174.94 176.19 3hj3 s LYS 516 N 1.65 4.54 -0.07 2.79 -0.14 -1.26 -5.03 119.74 122.22 3hj3 s LYS 516 Ca 0.07 1.67 -0.03 0.00 -1.36 0.00 0.00 55.97 56.32 3hj3 s LYS 516 Cb -0.15 -3.33 0.04 0.00 -1.68 0.00 0.00 37.83 32.71 3hj3 s LYS 516 CO 0.06 -0.04 0.14 -1.64 -0.76 0.00 0.00 175.35 173.11 3hj3 s MET 517 N 0.32 0.04 -0.02 1.68 -1.94 -1.26 -4.95 119.30 113.17 3hj3 s MET 517 Ca 0.53 0.46 -0.23 0.00 -1.71 0.00 0.00 55.69 54.73 3hj3 s MET 517 Cb -0.28 -0.25 -0.05 0.00 2.01 0.00 0.00 34.83 36.26 3hj3 s MET 517 CO 0.32 -0.25 0.71 -0.51 -0.01 0.00 0.00 175.02 175.27 3hj3 s ASP 518 N 1.81 7.06 0.05 3.03 1.01 -1.26 -5.02 116.67 123.35 3hj3 s ASP 518 Ca -0.02 1.27 -0.30 0.00 0.71 0.00 0.00 52.55 54.21 3hj3 s ASP 518 Cb -0.12 -2.42 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3hj3 s ASP 518 CO -0.05 -0.04 1.13 -0.32 0.21 0.00 0.00 175.17 176.10 3hj3 s MET 519 N 0.35 4.47 -0.18 8.23 -2.45 -1.26 -4.98 119.30 123.48 3hj3 s MET 519 Ca 0.37 1.67 -0.28 0.00 -1.25 0.00 0.00 55.69 56.19 3hj3 s MET 519 Cb -0.19 -3.38 -0.00 0.00 1.25 0.00 0.00 34.83 32.51 3hj3 s MET 519 CO 0.20 -0.19 0.98 0.00 1.05 0.00 0.00 175.02 177.06 3hj3 s ALA 520 N 1.01 3.56 -2.00 4.11 0.00 -1.26 -5.18 121.76 122.00 3hj3 s ALA 520 Ca 0.57 0.20 0.30 0.00 0.00 0.00 0.00 51.96 53.02 3hj3 s ALA 520 Cb -0.27 -3.44 1.79 0.00 0.00 0.00 0.00 23.12 21.20 3hj3 s ALA 520 CO 0.29 -0.82 2.12 0.28 0.00 0.00 0.00 175.76 177.63