#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8h s ALA 3 N 0.00 3.51 0.15 3.52 0.00 -1.26 -0.02 121.76 127.66 3b8h s ALA 3 Ca 0.00 -0.28 0.10 0.00 0.00 0.00 0.00 51.96 51.77 3b8h s ALA 3 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3b8h s ALA 3 CO 0.00 -0.25 -0.22 -0.06 0.00 0.00 0.00 175.76 175.23 3b8h s PHE 4 N 1.20 2.04 0.57 0.00 0.08 0.19 -4.86 117.98 117.20 3b8h s PHE 4 Ca 0.26 -0.41 -0.06 0.00 0.12 0.00 0.00 56.93 56.84 3b8h s PHE 4 Cb -0.15 -1.06 -0.00 0.00 -0.57 0.00 0.00 43.02 41.24 3b8h s PHE 4 CO 0.10 0.35 0.88 0.95 -0.10 0.00 0.00 175.22 177.40 3b8h s THR 5 N -1.53 3.90 0.34 0.64 -4.23 -1.26 -0.85 115.64 112.65 3b8h s THR 5 Ca 0.14 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.71 3b8h s THR 5 Cb -0.08 -3.53 0.27 0.00 1.34 0.00 0.00 72.50 70.49 3b8h s THR 5 CO 0.07 -0.54 2.00 0.58 -0.54 0.00 0.00 174.62 176.19 3b8h h VAL 6 N -0.09 1.16 -0.56 2.29 2.07 -1.99 -1.97 116.25 117.16 3b8h h VAL 6 Ca -0.46 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 66.78 3b8h h VAL 6 Cb 1.25 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3b8h h VAL 6 CO 0.61 0.16 0.35 0.44 0.02 0.00 0.00 177.57 179.15 3b8h h ASP 7 N 0.89 0.59 -0.40 0.57 3.32 -1.99 -1.74 116.42 117.66 3b8h h ASP 7 Ca 0.25 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3b8h h ASP 7 Cb -0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3b8h h ASP 7 CO -0.06 0.42 0.09 1.56 -1.72 0.00 0.00 179.24 179.53 3b8h h GLN 8 N 0.70 0.64 0.05 3.56 4.20 -1.78 -0.04 115.11 122.44 3b8h h GLN 8 Ca 0.22 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.78 3b8h h GLN 8 Cb -0.02 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3b8h h GLN 8 CO -0.07 0.67 -0.11 0.52 -0.67 0.00 0.00 178.83 179.17 3b8h h MET 9 N 0.50 -0.20 -0.88 1.46 2.86 -1.18 -1.03 114.93 116.46 3b8h h MET 9 Ca 0.12 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 3b8h h MET 9 Cb 0.32 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 3b8h h MET 9 CO 0.00 -0.13 0.58 -0.09 1.06 0.00 0.00 176.91 178.33 3b8h h ARG 10 N -0.21 1.08 -0.54 1.72 9.65 -1.26 0.20 114.38 125.01 3b8h h ARG 10 Ca 0.02 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3b8h h ARG 10 Cb 0.23 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 3b8h h ARG 10 CO -0.07 0.71 0.34 0.77 2.80 0.00 0.00 179.97 184.52 3b8h h SER 11 N 1.11 0.55 -0.55 -3.80 0.02 -0.23 -1.54 113.55 109.11 3b8h h SER 11 Ca 0.35 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3b8h h SER 11 Cb 0.01 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3b8h h SER 11 CO -0.10 0.39 0.00 0.00 -1.14 0.00 0.00 176.83 175.98 3b8h n LEU 12 N -4.76 2.99 -0.03 5.07 -0.00 -0.46 -3.65 117.00 116.17 3b8h n LEU 12 Ca 0.04 -1.50 0.01 0.00 -0.00 0.00 0.00 56.01 54.57 3b8h n LEU 12 Cb 0.06 -0.38 -0.14 0.00 -0.00 0.00 0.00 43.42 42.97 3b8h n LEU 12 CO 0.33 0.73 -0.75 0.23 -0.00 0.00 0.00 177.39 177.93 3b8h n MET 13 N 1.10 0.66 0.22 1.47 2.81 0.03 -4.16 117.12 119.25 3b8h n MET 13 Ca 0.19 -0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.17 3b8h n MET 13 Cb 0.48 -1.60 0.27 0.00 -0.71 0.00 0.00 33.22 31.65 3b8h n MET 13 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 3b8h h ASP 14 N 0.00 0.00 -1.89 7.83 3.04 -1.40 -3.36 116.42 120.64 3b8h h ASP 14 Ca -0.22 0.00 -0.75 0.00 -3.24 0.00 0.00 57.03 52.82 3b8h h ASP 14 Cb 1.56 0.00 -0.17 0.00 -1.04 0.00 0.00 39.33 39.68 3b8h h ASP 14 CO 0.02 0.06 1.59 0.29 -2.04 0.00 0.00 179.24 179.16 3b8h n LYS 15 N -3.12 3.47 0.23 4.15 5.02 -1.26 -4.79 118.16 121.87 3b8h n LYS 15 Ca 0.03 -3.74 0.15 0.00 -2.02 0.00 0.00 58.31 52.73 3b8h n LYS 15 Cb 0.50 -2.99 0.56 0.00 -0.02 0.00 0.00 35.03 33.08 3b8h n LYS 15 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3b8h h VAL 16 N 4.30 0.00 0.00 -0.18 2.07 -1.86 -2.26 116.25 118.32 3b8h h VAL 16 Ca 0.34 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3b8h h VAL 16 Cb 0.78 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3b8h h VAL 16 CO 1.38 0.00 0.00 0.71 0.02 0.00 0.00 177.57 179.68 3b8h h THR 17 N 0.00 0.00 -0.44 2.57 1.35 -1.88 -2.82 112.91 111.68 3b8h h THR 17 Ca 0.00 -0.33 -0.22 0.00 -0.55 0.00 0.00 66.41 65.31 3b8h h THR 17 Cb 0.57 1.27 -0.13 0.00 -1.73 0.00 0.00 68.15 68.13 3b8h h THR 17 CO 0.00 0.00 0.03 0.59 -0.25 0.00 0.00 175.52 175.89 3b8h n ASN 18 N -2.94 2.75 -4.55 5.36 4.13 -0.85 -4.75 115.26 114.41 3b8h n ASN 18 Ca -0.00 -3.71 -0.32 0.00 1.68 0.00 0.00 54.58 52.23 3b8h n ASN 18 Cb 0.23 -0.66 -0.11 0.00 -1.54 0.00 0.00 39.78 37.70 3b8h n ASN 18 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3b8h s VAL 19 N -3.23 3.36 -0.35 2.41 1.01 -1.06 -0.29 120.40 122.24 3b8h s VAL 19 Ca 0.46 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3b8h s VAL 19 Cb 0.41 -2.45 0.10 0.00 0.00 0.00 0.00 36.38 34.45 3b8h s VAL 19 CO 0.02 0.37 0.09 -0.13 0.00 0.00 0.00 175.10 175.45 3b8h s ARG 20 N -1.44 1.23 -0.54 2.72 1.81 0.81 -3.92 118.95 119.61 3b8h s ARG 20 Ca 0.16 -1.65 -0.26 0.00 -1.72 0.00 0.00 55.73 52.26 3b8h s ARG 20 Cb -0.11 -2.74 0.03 0.00 -0.45 0.00 0.00 34.95 31.69 3b8h s ARG 20 CO 0.07 -0.98 1.03 -0.80 -0.68 0.00 0.00 175.30 173.94 3b8h s ASN 21 N 1.04 6.41 0.09 0.23 0.01 -1.26 -0.72 114.94 120.74 3b8h s ASN 21 Ca 0.11 -0.09 -0.12 0.00 -0.71 0.00 0.00 52.86 52.05 3b8h s ASN 21 Cb -0.19 -2.48 0.02 0.00 0.41 0.00 0.00 41.25 39.00 3b8h s ASN 21 CO -0.13 -1.29 0.28 -0.32 -1.51 0.00 0.00 177.10 174.14 3b8h s MET 22 N 4.28 0.90 0.31 -0.60 -2.45 -0.79 0.12 119.30 121.08 3b8h s MET 22 Ca 0.36 -0.76 0.03 0.00 -1.25 0.00 0.00 55.69 54.07 3b8h s MET 22 Cb -0.10 0.38 -0.06 0.00 1.25 0.00 0.00 34.83 36.30 3b8h s MET 22 CO 0.23 -0.31 0.07 -1.54 1.05 0.00 0.00 175.02 174.51 3b8h s SER 23 N -2.63 2.07 -0.29 1.11 1.04 -1.02 -1.51 113.70 112.47 3b8h s SER 23 Ca 0.02 -1.38 -0.06 0.00 0.48 0.00 0.00 55.95 55.01 3b8h s SER 23 Cb 0.02 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.14 3b8h s SER 23 CO -0.09 -0.64 0.05 -0.69 0.98 0.00 0.00 173.24 172.85 3b8h s VAL 24 N -3.41 3.75 -0.46 5.02 1.01 -1.26 -1.42 120.40 123.62 3b8h s VAL 24 Ca 0.37 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 3b8h s VAL 24 Cb 0.08 -2.93 0.04 0.00 0.00 0.00 0.00 36.38 33.57 3b8h s VAL 24 CO 0.15 0.10 0.54 -0.63 0.00 0.00 0.00 175.10 175.26 3b8h s ILE 25 N 1.46 4.97 -0.21 2.22 1.01 -0.41 -4.83 121.20 125.41 3b8h s ILE 25 Ca 0.02 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 60.00 3b8h s ILE 25 Cb -0.17 -4.18 0.08 0.00 0.01 0.00 0.00 42.46 38.19 3b8h s ILE 25 CO 0.01 -0.63 0.76 0.00 0.00 0.00 0.00 174.94 175.08 3b8h s ALA 26 N 2.40 -1.81 0.43 9.38 0.00 -1.26 -0.85 121.76 130.05 3b8h s ALA 26 Ca 0.14 1.81 -0.25 0.00 0.00 0.00 0.00 51.96 53.67 3b8h s ALA 26 Cb -0.18 -0.89 -0.08 0.00 0.00 0.00 0.00 23.12 21.97 3b8h s ALA 26 CO 0.13 -0.33 1.28 -1.58 0.00 0.00 0.00 175.76 175.26 3b8h s HIS 27 N -0.10 2.77 0.41 0.00 2.46 -1.26 -4.87 115.29 114.70 3b8h s HIS 27 Ca -0.02 1.43 0.09 0.00 0.47 0.00 0.00 55.06 57.02 3b8h s HIS 27 Cb -0.04 -3.63 0.86 0.00 -0.13 0.00 0.00 32.58 29.65 3b8h s HIS 27 CO 0.02 -2.07 2.01 0.28 -2.47 0.00 0.00 174.74 172.52 3b8h h VAL 28 N 2.25 1.12 0.00 0.89 2.07 -1.97 -1.47 116.25 119.15 3b8h h VAL 28 Ca -0.50 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3b8h h VAL 28 Cb 1.25 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3b8h h VAL 28 CO 0.62 0.15 0.00 0.47 0.02 0.00 0.00 177.57 178.82 3b8h n ASP 29 N -4.40 0.00 -1.18 0.57 8.00 -1.26 -3.17 116.55 115.10 3b8h n ASP 29 Ca 0.01 -1.45 0.08 0.00 0.71 0.00 0.00 54.79 54.14 3b8h n ASP 29 Cb 0.15 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.53 3b8h n ASP 29 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3b8h n HIS 30 N -0.76 1.14 -2.56 1.24 8.25 -0.55 -4.94 115.22 117.04 3b8h n HIS 30 Ca 0.12 -0.68 -0.09 0.00 -0.26 0.00 0.00 57.72 56.81 3b8h n HIS 30 Cb 0.06 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 30.94 3b8h n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b8h n GLY 31 N 0.41 0.20 0.25 -1.41 0.00 -1.19 -4.87 105.19 98.59 3b8h n GLY 31 Ca 0.21 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3b8h n GLY 31 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3b8h h LYS 32 N -0.55 -0.37 -0.86 1.61 3.64 -1.70 -0.79 116.57 117.54 3b8h h LYS 32 Ca -0.21 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.22 3b8h h LYS 32 Cb 1.15 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 3b8h h LYS 32 CO 0.23 -0.25 0.57 0.66 -2.27 0.00 0.00 179.45 178.39 3b8h h SER 33 N -0.39 0.95 0.30 4.20 4.64 -1.90 -2.23 113.55 119.12 3b8h h SER 33 Ca 0.03 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3b8h h SER 33 Cb 0.42 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3b8h h SER 33 CO -0.14 0.66 -0.15 0.74 -0.87 0.00 0.00 176.83 177.08 3b8h h THR 34 N 1.10 0.72 -0.41 2.95 2.02 -1.77 -1.03 112.91 116.49 3b8h h THR 34 Ca 0.34 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 3b8h h THR 34 Cb -0.02 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3b8h h THR 34 CO -0.09 0.04 0.13 -0.07 0.37 0.00 0.00 175.52 175.89 3b8h h LEU 35 N -0.50 0.55 -0.86 2.58 3.38 -1.09 -2.14 115.31 117.24 3b8h h LEU 35 Ca -0.04 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3b8h h LEU 35 Cb 0.38 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3b8h h LEU 35 CO 0.07 0.53 0.20 0.74 0.09 0.00 0.00 178.44 180.07 3b8h h THR 36 N 0.59 1.25 0.04 0.22 2.02 -1.18 -2.67 112.91 113.19 3b8h h THR 36 Ca 0.14 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 3b8h h THR 36 Cb 0.18 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3b8h h THR 36 CO -0.01 0.34 -0.02 0.44 0.37 0.00 0.00 175.52 176.64 3b8h h ASP 37 N 1.01 -0.05 -0.77 4.18 3.32 -0.55 -2.02 116.42 121.55 3b8h h ASP 37 Ca 0.22 -0.05 0.15 0.00 0.02 0.00 0.00 57.03 57.37 3b8h h ASP 37 Cb 0.30 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 3b8h h ASP 37 CO -0.01 0.02 0.51 -1.28 -1.72 0.00 0.00 179.24 176.76 3b8h h SER 38 N -0.11 0.41 -0.27 6.45 0.87 -1.29 0.10 113.55 119.72 3b8h h SER 38 Ca -0.01 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 3b8h h SER 38 Cb 0.09 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3b8h h SER 38 CO 0.01 0.21 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.24 3b8h h LEU 39 N 0.44 0.65 -0.35 2.23 3.38 -1.12 -2.87 115.31 117.67 3b8h h LEU 39 Ca 0.38 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3b8h h LEU 39 Cb 0.85 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3b8h h LEU 39 CO -0.13 0.96 -0.07 0.58 0.09 0.00 0.00 178.44 179.88 3b8h h VAL 40 N 0.35 1.27 0.00 1.22 2.07 -0.36 0.37 116.25 121.18 3b8h h VAL 40 Ca 0.05 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3b8h h VAL 40 Cb 0.75 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3b8h h VAL 40 CO 0.05 0.37 0.00 -0.61 0.02 0.00 0.00 177.57 177.40 3b8h h GLN 41 N 0.46 0.00 0.00 1.57 4.15 -0.93 0.22 115.11 120.58 3b8h h GLN 41 Ca 0.09 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.13 3b8h h GLN 41 Cb 0.56 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.19 3b8h h GLN 41 CO 0.03 0.00 -2.39 -2.13 -1.93 0.00 0.00 178.83 172.42 3b8h n ARG 42 N -2.52 0.58 0.00 1.69 3.00 -1.08 -4.77 116.66 113.56 3b8h n ARG 42 Ca 0.01 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 3b8h n ARG 42 Cb 0.25 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.25 3b8h n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3b8h n ALA 43 N -3.48 1.74 -1.69 5.13 0.00 0.11 -4.82 120.51 117.48 3b8h n ALA 43 Ca -0.45 -0.55 -0.44 0.00 0.00 0.00 0.00 53.44 52.00 3b8h n ALA 43 Cb 0.92 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.35 3b8h n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b8h n GLY 44 N -0.14 1.09 3.87 0.00 0.00 0.77 -0.86 105.19 109.92 3b8h n GLY 44 Ca 0.00 0.55 -0.35 0.00 0.00 0.00 0.00 46.02 46.21 3b8h n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b8h s ILE 45 N 0.37 5.16 0.03 -0.61 1.01 -0.21 -0.84 121.20 126.11 3b8h s ILE 45 Ca 0.71 0.43 0.04 0.00 0.00 0.00 0.00 60.65 61.83 3b8h s ILE 45 Cb -0.60 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 3b8h s ILE 45 CO 0.44 0.38 -0.13 -0.63 0.00 0.00 0.00 174.94 175.01 3b8h s ILE 46 N -1.29 0.98 0.03 2.92 1.01 0.98 -4.87 121.20 120.96 3b8h s ILE 46 Ca 0.29 -0.86 -0.20 0.00 0.00 0.00 0.00 60.65 59.87 3b8h s ILE 46 Cb -0.14 -0.89 -0.06 0.00 0.01 0.00 0.00 42.46 41.38 3b8h s ILE 46 CO 0.16 0.03 0.60 -0.94 0.00 0.00 0.00 174.94 174.79 3b8h s SER 47 N -0.94 7.03 0.10 3.58 1.04 -1.26 0.55 113.70 123.80 3b8h s SER 47 Ca 0.01 1.23 0.09 0.00 0.48 0.00 0.00 55.95 57.76 3b8h s SER 47 Cb -0.07 -2.37 0.33 0.00 0.10 0.00 0.00 66.02 64.00 3b8h s SER 47 CO 0.01 0.16 0.31 0.00 0.98 0.00 0.00 173.24 174.70 3b8h n ALA 48 N 2.33 0.33 0.00 5.32 0.00 -0.03 -4.81 120.51 123.65 3b8h n ALA 48 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3b8h n ALA 48 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3b8h n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b8h n GLY 67 N -1.15 0.00 3.43 0.00 0.00 -1.26 -5.04 105.19 101.17 3b8h n GLY 67 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 3b8h n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b8h s ILE 68 N -0.08 4.72 0.32 -0.61 1.01 -1.26 -4.96 121.20 120.35 3b8h s ILE 68 Ca 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 3b8h s ILE 68 Cb 0.00 -4.45 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 3b8h s ILE 68 CO 0.00 -1.06 0.58 0.42 0.00 0.00 0.00 174.94 174.88 3b8h s THR 69 N 3.00 5.03 0.10 2.92 -4.23 -1.26 -3.84 115.64 117.35 3b8h s THR 69 Ca 0.16 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.67 3b8h s THR 69 Cb -0.20 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 3b8h s THR 69 CO 0.10 -0.42 -0.09 0.27 -0.54 0.00 0.00 174.62 173.94 3b8h s ILE 70 N -2.20 0.90 0.09 2.99 -4.36 -0.15 -1.05 121.20 117.42 3b8h s ILE 70 Ca 0.43 -1.78 -0.31 0.00 -0.26 0.00 0.00 60.65 58.74 3b8h s ILE 70 Cb -0.10 -1.51 -0.08 0.00 1.25 0.00 0.00 42.46 42.01 3b8h s ILE 70 CO 0.33 -0.68 1.59 -0.75 0.24 0.00 0.00 174.94 175.67 3b8h s LYS 71 N -3.21 4.22 -0.17 0.37 2.20 -1.03 -4.35 119.74 117.77 3b8h s LYS 71 Ca 0.09 2.28 -0.34 0.00 -0.36 0.00 0.00 55.97 57.64 3b8h s LYS 71 Cb 0.00 -3.46 -0.11 0.00 -1.51 0.00 0.00 37.83 32.75 3b8h s LYS 71 CO -0.01 -0.66 1.96 0.45 -0.36 0.00 0.00 175.35 176.72 3b8h n SER 72 N 5.05 3.11 0.00 1.43 2.88 -1.23 -4.80 113.62 120.06 3b8h n SER 72 Ca 0.15 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 3b8h n SER 72 Cb 0.40 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 3b8h n SER 72 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3b8h n THR 73 N 5.72 0.00 -3.64 2.46 -1.04 -1.24 -4.96 114.28 111.58 3b8h n THR 73 Ca 0.27 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.13 3b8h n THR 73 Cb 0.28 -0.37 -0.08 0.00 -1.82 0.00 0.00 70.33 68.35 3b8h n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3b8h s ALA 74 N -2.00 -1.48 -0.04 2.41 0.00 -1.26 -1.54 121.76 117.85 3b8h s ALA 74 Ca 0.00 1.41 0.05 0.00 0.00 0.00 0.00 51.96 53.42 3b8h s ALA 74 Cb 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3b8h s ALA 74 CO 0.00 -0.31 -0.18 0.42 0.00 0.00 0.00 175.76 175.69 3b8h s ILE 75 N -0.35 2.72 -0.19 0.00 1.01 -0.19 -1.46 121.20 122.74 3b8h s ILE 75 Ca -0.05 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 3b8h s ILE 75 Cb -0.03 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3b8h s ILE 75 CO 0.04 0.58 0.08 -0.94 0.00 0.00 0.00 174.94 174.69 3b8h s SER 76 N -0.72 5.71 0.04 3.58 1.04 -1.26 -0.27 113.70 121.83 3b8h s SER 76 Ca 0.11 0.09 0.09 0.00 0.48 0.00 0.00 55.95 56.72 3b8h s SER 76 Cb -0.10 -1.99 -0.03 0.00 0.10 0.00 0.00 66.02 64.00 3b8h s SER 76 CO 0.00 0.16 -0.25 -0.76 0.98 0.00 0.00 173.24 173.38 3b8h s LEU 77 N 0.43 2.17 -0.14 2.42 1.02 0.14 -1.04 118.68 123.68 3b8h s LEU 77 Ca 0.04 -0.57 0.03 0.00 0.02 0.00 0.00 54.13 53.64 3b8h s LEU 77 Cb -0.12 -1.21 0.01 0.00 0.02 0.00 0.00 46.19 44.89 3b8h s LEU 77 CO 0.00 0.23 -0.22 -0.47 0.02 0.00 0.00 176.35 175.92 3b8h s TYR 78 N -0.80 2.66 -0.02 0.29 5.04 -0.04 -0.03 117.35 124.45 3b8h s TYR 78 Ca 0.11 -1.30 0.06 0.00 -2.44 0.00 0.00 57.07 53.49 3b8h s TYR 78 Cb -0.10 -1.80 -0.01 0.00 0.35 0.00 0.00 41.96 40.39 3b8h s TYR 78 CO 0.02 -0.59 -0.20 0.45 -1.34 0.00 0.00 175.55 173.89 3b8h s SER 79 N 0.76 2.33 -0.12 4.32 0.15 -0.91 -4.70 113.70 115.53 3b8h s SER 79 Ca -0.08 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.24 3b8h s SER 79 Cb -0.16 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 3b8h s SER 79 CO -0.01 0.24 -0.23 -0.70 1.20 0.00 0.00 173.24 173.74 3b8h s GLU 80 N -0.41 3.04 0.28 5.44 2.12 -1.26 -1.89 118.70 126.02 3b8h s GLU 80 Ca 0.06 -0.86 0.06 0.00 0.36 0.00 0.00 54.97 54.59 3b8h s GLU 80 Cb -0.08 -2.37 -0.06 0.00 0.26 0.00 0.00 34.13 31.88 3b8h s GLU 80 CO -0.00 0.08 -0.04 -1.64 -0.54 0.00 0.00 175.26 173.12 3b8h s MET 81 N 0.58 1.55 0.65 4.30 -1.94 -0.94 -5.07 119.30 118.44 3b8h s MET 81 Ca -0.13 -1.80 -0.11 0.00 -1.71 0.00 0.00 55.69 51.95 3b8h s MET 81 Cb -0.17 -1.10 -0.01 0.00 2.01 0.00 0.00 34.83 35.56 3b8h s MET 81 CO 0.03 0.00 1.04 -1.54 -0.01 0.00 0.00 175.02 174.54 3b8h s SER 82 N -3.44 5.84 0.42 3.03 1.04 -1.26 -4.72 113.70 114.61 3b8h s SER 82 Ca 0.30 1.22 0.12 0.00 0.48 0.00 0.00 55.95 58.07 3b8h s SER 82 Cb 0.05 -2.17 0.92 0.00 0.10 0.00 0.00 66.02 64.92 3b8h s SER 82 CO 0.12 -1.08 1.98 0.44 0.98 0.00 0.00 173.24 175.68 3b8h h ASP 83 N -0.43 0.14 -0.39 7.02 3.45 -1.98 -1.40 116.42 122.83 3b8h h ASP 83 Ca -0.45 -0.02 -0.15 0.00 0.43 0.00 0.00 57.03 56.84 3b8h h ASP 83 Cb 1.22 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.95 3b8h h ASP 83 CO 0.63 0.27 -0.33 -0.33 -1.57 0.00 0.00 179.24 177.90 3b8h h GLU 84 N 0.14 0.93 -0.44 3.56 5.08 -2.01 -3.12 114.58 118.72 3b8h h GLU 84 Ca 0.03 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3b8h h GLU 84 Cb 0.28 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3b8h h GLU 84 CO 0.02 1.11 0.18 -0.44 -1.00 0.00 0.00 179.01 178.88 3b8h h ASP 85 N 0.77 0.60 0.19 1.42 3.32 -1.67 -2.76 116.42 118.29 3b8h h ASP 85 Ca 0.08 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3b8h h ASP 85 Cb 0.92 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 3b8h h ASP 85 CO 0.09 0.60 -0.02 0.58 -1.72 0.00 0.00 179.24 178.77 3b8h h VAL 86 N 0.57 0.20 0.00 -1.35 2.07 -1.28 -1.00 116.25 115.45 3b8h h VAL 86 Ca 0.15 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3b8h h VAL 86 Cb 0.18 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3b8h h VAL 86 CO -0.01 0.02 -0.34 0.11 0.02 0.00 0.00 177.57 177.37 3b8h h LYS 87 N 0.00 0.00 0.00 1.57 1.57 -1.43 -3.10 116.57 115.18 3b8h h LYS 87 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3b8h h LYS 87 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3b8h h LYS 87 CO 0.00 0.34 -0.23 0.93 -0.57 0.00 0.00 179.45 179.93 3b8h h GLU 88 N 0.00 0.00 -6.27 3.15 5.08 -1.23 -3.44 114.58 111.87 3b8h h GLU 88 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3b8h h GLU 88 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 3b8h h GLU 88 CO 0.04 0.23 1.17 0.42 -1.00 0.00 0.00 179.01 179.87 3b8h s ILE 89 N -3.52 3.36 -0.34 3.13 1.01 -1.17 -4.87 121.20 118.79 3b8h s ILE 89 Ca 0.02 0.43 -0.02 0.00 0.00 0.00 0.00 60.65 61.07 3b8h s ILE 89 Cb 0.09 -3.31 0.11 0.00 0.01 0.00 0.00 42.46 39.37 3b8h s ILE 89 CO 0.65 -0.07 2.45 0.29 0.00 0.00 0.00 174.94 178.26 3b8h n LYS 90 N 7.47 2.04 -3.59 2.79 5.02 -1.26 -4.79 118.16 125.84 3b8h n LYS 90 Ca 0.19 -1.80 -0.14 0.00 -2.02 0.00 0.00 58.31 54.55 3b8h n LYS 90 Cb 0.43 -1.84 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 3b8h n LYS 90 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3b8h s GLN 91 N -1.51 1.01 0.26 1.97 -2.07 -1.26 -5.14 119.66 112.91 3b8h s GLN 91 Ca 0.44 -0.25 -0.30 0.00 -1.82 0.00 0.00 55.36 53.43 3b8h s GLN 91 Cb 0.30 0.46 -0.14 0.00 -1.09 0.00 0.00 33.01 32.54 3b8h s GLN 91 CO -0.09 -0.36 1.31 1.17 -1.32 0.00 0.00 175.29 175.99 3b8h n LYS 92 N 0.45 1.85 -4.23 9.60 3.00 -1.26 -4.99 118.16 122.58 3b8h n LYS 92 Ca -0.18 0.66 -0.13 0.00 -0.00 0.00 0.00 58.31 58.65 3b8h n LYS 92 Cb 0.60 -2.24 -0.10 0.00 0.00 0.00 0.00 35.03 33.29 3b8h n LYS 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3b8h s THR 93 N -0.39 0.25 -0.29 3.15 2.01 -1.26 -4.79 115.64 114.32 3b8h s THR 93 Ca 0.65 -1.98 0.04 0.00 0.31 0.00 0.00 61.69 60.72 3b8h s THR 93 Cb -0.67 -2.41 0.19 0.00 0.01 0.00 0.00 72.50 69.62 3b8h s THR 93 CO 0.54 -0.14 0.54 -0.62 -0.69 0.00 0.00 174.62 174.24 3b8h s ASP 94 N -3.18 -1.02 0.00 3.53 2.15 -1.26 -5.06 116.67 111.83 3b8h s ASP 94 Ca 0.34 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.38 3b8h s ASP 94 Cb 0.07 1.76 0.00 0.00 -0.30 0.00 0.00 42.92 44.46 3b8h s ASP 94 CO 0.10 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 3b8h n GLY 95 N 5.40 -0.17 1.01 2.66 0.00 -1.26 -4.71 105.19 108.12 3b8h n GLY 95 Ca 0.03 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.32 3b8h n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3b8h n ASN 96 N -0.73 3.29 -4.84 1.61 3.02 -1.26 -4.95 115.26 111.40 3b8h n ASN 96 Ca 0.00 -1.94 -0.38 0.00 -0.03 0.00 0.00 54.58 52.24 3b8h n ASN 96 Cb 0.00 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 3b8h n ASN 96 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3b8h s SER 97 N -1.21 6.80 -0.04 6.41 0.01 -1.26 -2.21 113.70 122.19 3b8h s SER 97 Ca 0.35 0.95 -0.00 0.00 1.31 0.00 0.00 55.95 58.56 3b8h s SER 97 Cb 0.20 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 64.21 3b8h s SER 97 CO 0.27 0.30 0.00 -0.36 0.41 0.00 0.00 173.24 173.86 3b8h s PHE 98 N -1.13 0.41 -0.30 2.43 0.40 -0.79 -4.79 117.98 114.20 3b8h s PHE 98 Ca 0.25 -0.03 -0.12 0.00 -0.60 0.00 0.00 56.93 56.44 3b8h s PHE 98 Cb -0.16 -0.53 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 3b8h s PHE 98 CO 0.14 -0.19 0.22 -1.17 0.70 0.00 0.00 175.22 174.93 3b8h s LEU 99 N 1.35 4.17 -0.20 -0.37 2.96 0.60 -2.15 118.68 125.05 3b8h s LEU 99 Ca -0.05 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 3b8h s LEU 99 Cb -0.13 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 3b8h s LEU 99 CO -0.02 -0.12 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.22 3b8h s ILE 100 N 1.78 3.55 -0.48 6.68 1.01 0.96 -0.14 121.20 134.57 3b8h s ILE 100 Ca 0.08 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 3b8h s ILE 100 Cb -0.16 -2.60 0.09 0.00 0.01 0.00 0.00 42.46 39.80 3b8h s ILE 100 CO 0.11 0.44 0.40 0.20 0.00 0.00 0.00 174.94 176.08 3b8h s ASN 101 N 1.16 6.08 -0.67 3.58 0.01 0.10 0.27 114.94 125.47 3b8h s ASN 101 Ca 0.02 -1.45 -0.22 0.00 -0.71 0.00 0.00 52.86 50.50 3b8h s ASN 101 Cb -0.14 -2.16 0.07 0.00 0.41 0.00 0.00 41.25 39.43 3b8h s ASN 101 CO -0.00 -0.67 0.96 -0.22 -1.51 0.00 0.00 177.10 175.66 3b8h s LEU 102 N 1.60 4.42 -0.15 0.60 2.96 0.63 -1.89 118.68 126.85 3b8h s LEU 102 Ca 0.04 -1.03 -0.29 0.00 -0.22 0.00 0.00 54.13 52.63 3b8h s LEU 102 Cb -0.25 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.02 3b8h s LEU 102 CO 0.05 -1.43 1.00 -0.63 -1.32 0.00 0.00 176.35 174.03 3b8h s ILE 103 N 4.00 4.76 0.34 6.68 1.09 -0.57 -1.02 121.20 136.48 3b8h s ILE 103 Ca 0.22 2.00 -0.28 0.00 -1.10 0.00 0.00 60.65 61.49 3b8h s ILE 103 Cb -0.17 -4.30 -0.12 0.00 -1.06 0.00 0.00 42.46 36.82 3b8h s ILE 103 CO 0.09 -0.06 1.34 -0.67 -0.10 0.00 0.00 174.94 175.55 3b8h n ASP 104 N 5.47 2.96 -4.52 3.58 2.03 -0.59 -4.41 116.55 121.07 3b8h n ASP 104 Ca 0.09 1.20 -0.28 0.00 0.52 0.00 0.00 54.79 56.33 3b8h n ASP 104 Cb 0.48 -1.50 -0.10 0.00 -0.72 0.00 0.00 41.12 39.27 3b8h n ASP 104 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3b8h s SER 105 N -0.19 4.01 0.87 1.67 0.01 -1.26 -4.87 113.70 113.93 3b8h s SER 105 Ca 0.57 -0.60 -0.11 0.00 1.31 0.00 0.00 55.95 57.11 3b8h s SER 105 Cb -0.56 -0.60 0.12 0.00 0.21 0.00 0.00 66.02 65.19 3b8h s SER 105 CO 0.61 0.14 1.16 -2.84 0.41 0.00 0.00 173.24 172.72 3b8h s PRO 106 N -2.50 1.31 0.20 12.44 0.02 -1.26 -4.95 135.00 140.26 3b8h s PRO 106 Ca 0.21 1.61 0.25 0.00 0.02 0.00 0.00 61.00 63.09 3b8h s PRO 106 Cb -0.09 -1.75 0.51 0.00 0.02 0.00 0.00 34.50 33.18 3b8h s PRO 106 CO 0.12 -2.43 1.52 0.78 -0.33 0.00 0.00 177.00 176.67 3b8h h GLY 107 N -1.48 0.00 -4.42 0.52 0.00 -1.97 -3.47 103.07 92.26 3b8h h GLY 107 Ca -0.44 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 3b8h h GLY 107 CO 0.44 0.00 -0.23 -1.58 0.00 0.00 0.00 176.54 175.17 3b8h s HIS 108 N -3.16 -0.22 0.28 5.60 5.65 -1.26 -4.53 115.29 117.65 3b8h s HIS 108 Ca 0.08 0.33 0.00 0.00 0.25 0.00 0.00 55.06 55.72 3b8h s HIS 108 Cb 0.12 0.13 0.51 0.00 -1.18 0.00 0.00 32.58 32.15 3b8h s HIS 108 CO 0.67 -0.42 1.86 0.28 -0.65 0.00 0.00 174.74 176.48 3b8h h VAL 109 N 3.74 1.00 -1.25 0.89 2.07 -1.96 -2.62 116.25 118.12 3b8h h VAL 109 Ca -0.29 -0.36 0.40 0.00 0.82 0.00 0.00 66.70 67.26 3b8h h VAL 109 Cb 1.17 -0.16 -0.12 0.00 -1.52 0.00 0.00 31.29 30.67 3b8h h VAL 109 CO 0.40 0.19 0.80 0.44 0.02 0.00 0.00 177.57 179.43 3b8h h ASP 110 N 1.06 0.29 0.00 0.57 3.32 -1.96 -0.25 116.42 119.44 3b8h h ASP 110 Ca 0.46 0.13 -0.31 0.00 0.02 0.00 0.00 57.03 57.33 3b8h h ASP 110 Cb 0.34 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3b8h h ASP 110 CO -0.21 -0.13 1.20 0.49 -1.72 0.00 0.00 179.24 178.86 3b8h n PHE 111 N -4.69 0.78 -0.16 4.55 3.01 -0.99 -4.65 117.46 115.31 3b8h n PHE 111 Ca 0.35 -1.76 -0.06 0.00 1.01 0.00 0.00 57.45 56.99 3b8h n PHE 111 Cb 1.31 -1.67 0.03 0.00 -0.01 0.00 0.00 39.48 39.15 3b8h n PHE 111 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3b8h h SER 112 N 4.40 0.42 -0.63 4.37 0.02 -1.29 -1.85 113.55 118.99 3b8h h SER 112 Ca 0.37 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.41 3b8h h SER 112 Cb 0.82 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 3b8h h SER 112 CO 0.83 0.30 0.42 0.28 -1.14 0.00 0.00 176.83 177.51 3b8h h SER 113 N 0.54 0.50 0.51 3.07 0.02 -1.85 -0.66 113.55 115.67 3b8h h SER 113 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3b8h h SER 113 Cb 0.05 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3b8h h SER 113 CO -0.11 0.32 -0.82 -1.84 -1.14 0.00 0.00 176.83 173.24 3b8h n GLU 114 N -4.48 0.20 -0.07 3.45 0.28 -1.03 -2.70 120.64 116.29 3b8h n GLU 114 Ca 0.09 0.02 -0.09 0.00 -0.16 0.00 0.00 57.16 57.02 3b8h n GLU 114 Cb 0.27 -1.58 0.06 0.00 1.43 0.00 0.00 31.44 31.62 3b8h n GLU 114 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3b8h h VAL 115 N 0.00 1.28 -0.18 3.84 2.07 -0.31 -2.74 116.25 120.21 3b8h h VAL 115 Ca 0.00 -1.47 -0.20 0.00 0.82 0.00 0.00 66.70 65.84 3b8h h VAL 115 Cb 0.66 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3b8h h VAL 115 CO 0.00 0.48 -0.69 0.74 0.02 0.00 0.00 177.57 178.12 3b8h h THR 116 N 0.63 1.30 -0.69 2.57 2.02 -1.40 -2.95 112.91 114.39 3b8h h THR 116 Ca 0.07 -1.92 0.08 0.00 0.77 0.00 0.00 66.41 65.40 3b8h h THR 116 Cb 0.86 1.89 -0.06 0.00 -1.74 0.00 0.00 68.15 69.10 3b8h h THR 116 CO 0.07 0.61 0.36 0.00 0.37 0.00 0.00 175.52 176.94 3b8h h ALA 117 N 0.70 0.94 0.15 6.16 0.00 -1.41 -0.09 119.26 125.70 3b8h h ALA 117 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3b8h h ALA 117 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3b8h h ALA 117 CO 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.32 3b8h h ALA 118 N 1.39 -0.20 -0.77 0.00 0.00 -1.54 -3.24 119.26 114.90 3b8h h ALA 118 Ca 0.33 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3b8h h ALA 118 Cb 0.28 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3b8h h ALA 118 CO -0.23 -0.38 0.51 -0.07 0.00 0.00 0.00 179.25 179.08 3b8h h LEU 119 N -0.66 0.58 -1.70 0.00 3.38 -1.32 -1.96 115.31 113.64 3b8h h LEU 119 Ca -0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3b8h h LEU 119 Cb 0.49 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3b8h h LEU 119 CO 0.03 0.34 -0.18 -0.09 0.09 0.00 0.00 178.44 178.63 3b8h h ARG 120 N 0.64 0.00 -0.70 1.13 2.43 -1.04 -1.90 114.38 114.94 3b8h h ARG 120 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 3b8h h ARG 120 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3b8h h ARG 120 CO -0.14 0.18 0.00 1.33 -1.51 0.00 0.00 179.97 179.83 3b8h n VAL 121 N -4.08 1.09 -4.36 0.20 0.24 -0.75 -4.94 118.33 105.74 3b8h n VAL 121 Ca -0.02 -1.02 -0.28 0.00 -2.04 0.00 0.00 64.34 60.98 3b8h n VAL 121 Cb 0.26 0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 32.97 3b8h n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3b8h s THR 122 N -1.09 2.66 -0.07 3.34 -4.23 -0.72 -4.81 115.64 110.71 3b8h s THR 122 Ca 0.47 -1.77 0.08 0.00 -1.18 0.00 0.00 61.69 59.29 3b8h s THR 122 Cb 0.25 -2.26 -0.12 0.00 1.34 0.00 0.00 72.50 71.72 3b8h s THR 122 CO 0.31 -0.03 0.06 0.47 -0.54 0.00 0.00 174.62 174.90 3b8h n ASP 123 N 0.44 2.80 -4.43 3.99 8.00 0.12 -4.89 116.55 122.57 3b8h n ASP 123 Ca -0.14 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.15 3b8h n ASP 123 Cb 0.55 0.85 -0.10 0.00 -0.02 0.00 0.00 41.12 42.40 3b8h n ASP 123 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3b8h s GLY 124 N -3.91 1.82 -0.12 0.44 0.00 -0.78 -1.99 107.32 102.78 3b8h s GLY 124 Ca -0.04 -1.89 -0.06 0.00 0.00 0.00 0.00 44.72 42.73 3b8h s GLY 124 CO 0.37 -1.86 0.28 0.00 0.00 0.00 0.00 173.10 171.89 3b8h s ALA 125 N -2.93 -0.65 -0.53 3.20 0.00 0.32 -2.42 121.76 118.74 3b8h s ALA 125 Ca 0.29 1.10 -0.23 0.00 0.00 0.00 0.00 51.96 53.12 3b8h s ALA 125 Cb 0.02 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.46 3b8h s ALA 125 CO 0.12 -0.26 0.84 -1.17 0.00 0.00 0.00 175.76 175.29 3b8h s LEU 126 N 1.41 4.36 -0.35 0.00 2.96 -0.51 -1.34 118.68 125.21 3b8h s LEU 126 Ca -0.08 -0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 53.16 3b8h s LEU 126 Cb -0.10 -2.74 -0.00 0.00 0.50 0.00 0.00 46.19 43.85 3b8h s LEU 126 CO -0.09 -1.10 0.54 -0.69 -1.32 0.00 0.00 176.35 173.68 3b8h s VAL 127 N 3.51 5.00 -0.26 1.68 1.01 0.56 -1.28 120.40 130.61 3b8h s VAL 127 Ca 0.26 0.41 -0.15 0.00 0.00 0.00 0.00 61.98 62.50 3b8h s VAL 127 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3b8h s VAL 127 CO 0.18 -0.22 0.36 -0.69 0.00 0.00 0.00 175.10 174.73 3b8h s VAL 128 N 2.44 5.19 0.35 2.92 1.01 -0.03 -1.69 120.40 130.59 3b8h s VAL 128 Ca 0.20 0.56 0.09 0.00 0.00 0.00 0.00 61.98 62.82 3b8h s VAL 128 Cb -0.15 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 3b8h s VAL 128 CO 0.13 0.18 -0.07 0.68 0.00 0.00 0.00 175.10 176.02 3b8h s VAL 129 N 1.93 2.09 0.08 2.92 -7.23 -0.76 -4.56 120.40 114.88 3b8h s VAL 129 Ca 0.15 -2.15 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 3b8h s VAL 129 Cb -0.16 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 3b8h s VAL 129 CO 0.09 -0.17 0.35 -0.62 -0.31 0.00 0.00 175.10 174.45 3b8h s ASP 130 N -3.60 6.54 0.02 4.85 2.15 0.13 -0.52 116.67 126.23 3b8h s ASP 130 Ca 0.33 0.64 -0.26 0.00 0.43 0.00 0.00 52.55 53.69 3b8h s ASP 130 Cb 0.04 -2.12 -0.17 0.00 -0.30 0.00 0.00 42.92 40.38 3b8h s ASP 130 CO 0.16 0.15 1.29 0.74 -0.17 0.00 0.00 175.17 177.34 3b8h h THR 131 N 2.58 0.58 0.00 1.71 2.02 -1.66 -1.10 112.91 117.05 3b8h h THR 131 Ca -0.48 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 3b8h h THR 131 Cb 1.18 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3b8h h THR 131 CO 0.69 0.08 -0.00 0.40 0.37 0.00 0.00 175.52 177.06 3b8h h ILE 132 N -0.80 1.74 -0.00 3.11 2.04 -1.86 -3.34 117.51 118.40 3b8h h ILE 132 Ca -0.05 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.50 3b8h h ILE 132 Cb 0.53 3.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 3b8h h ILE 132 CO 0.09 0.59 -0.03 -0.62 0.00 0.00 0.00 178.15 178.18 3b8h n GLU 133 N -4.62 0.02 0.00 2.37 1.02 -1.26 -4.99 120.64 113.18 3b8h n GLU 133 Ca -0.10 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3b8h n GLU 133 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3b8h n GLU 133 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b8h n GLY 134 N 1.49 3.19 3.56 0.62 0.00 -0.42 -4.48 105.19 109.15 3b8h n GLY 134 Ca 0.07 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3b8h n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8h s VAL 135 N 0.00 5.17 0.81 1.61 1.01 -1.26 -0.70 120.40 127.03 3b8h s VAL 135 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 3b8h s VAL 135 Cb 0.00 -3.49 0.09 0.00 0.00 0.00 0.00 36.38 32.98 3b8h s VAL 135 CO 0.00 0.22 1.17 0.00 0.00 0.00 0.00 175.10 176.49 3b8h h VAL 137 N -1.04 1.24 -0.01 0.00 2.07 -1.95 -2.54 116.25 114.02 3b8h h VAL 137 Ca -0.46 -0.75 -0.25 0.00 0.82 0.00 0.00 66.70 66.06 3b8h h VAL 137 Cb 1.32 0.48 0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3b8h h VAL 137 CO 0.63 0.30 -0.98 0.06 0.02 0.00 0.00 177.57 177.59 3b8h h GLN 138 N 0.95 0.69 -0.16 1.57 3.07 -1.94 -2.06 115.11 117.23 3b8h h GLN 138 Ca 0.22 -0.72 -0.00 0.00 0.09 0.00 0.00 58.65 58.24 3b8h h GLN 138 Cb 0.21 0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 3b8h h GLN 138 CO -0.02 1.31 0.09 1.15 0.09 0.00 0.00 178.83 181.45 3b8h h THR 139 N 0.36 1.05 -0.22 1.86 2.02 -1.95 0.01 112.91 116.05 3b8h h THR 139 Ca -0.12 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 3b8h h THR 139 Cb 1.64 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.88 3b8h h THR 139 CO 0.19 0.06 -0.23 -0.08 0.37 0.00 0.00 175.52 175.83 3b8h h GLU 140 N 0.22 0.55 -0.07 6.66 4.81 -1.32 -2.34 114.58 123.10 3b8h h GLU 140 Ca 0.06 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 3b8h h GLU 140 Cb 0.00 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3b8h h GLU 140 CO -0.01 0.88 0.02 1.15 -0.73 0.00 0.00 179.01 180.32 3b8h h THR 141 N 0.24 1.17 -0.95 0.32 2.02 -0.59 -2.32 112.91 112.81 3b8h h THR 141 Ca 0.04 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 66.72 3b8h h THR 141 Cb 0.78 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 3b8h h THR 141 CO 0.06 0.15 0.62 0.58 0.37 0.00 0.00 175.52 177.30 3b8h h VAL 142 N -0.08 1.19 -0.79 3.16 2.07 -1.10 -2.14 116.25 118.56 3b8h h VAL 142 Ca 0.02 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3b8h h VAL 142 Cb 0.22 -0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 3b8h h VAL 142 CO -0.00 0.22 0.51 0.25 0.02 0.00 0.00 177.57 178.58 3b8h h LEU 143 N 1.23 0.86 -0.31 2.57 5.85 -1.26 0.26 115.31 124.51 3b8h h LEU 143 Ca 0.37 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.15 3b8h h LEU 143 Cb -0.05 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 3b8h h LEU 143 CO -0.11 0.61 -0.19 0.03 -0.34 0.00 0.00 178.44 178.44 3b8h h ARG 144 N 1.02 -0.14 -0.09 1.25 3.08 -0.83 0.78 114.38 119.45 3b8h h ARG 144 Ca 0.31 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.38 3b8h h ARG 144 Cb -0.04 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3b8h h ARG 144 CO -0.09 -0.10 -0.01 1.96 -1.07 0.00 0.00 179.97 180.66 3b8h h GLN 145 N -0.15 0.02 -0.85 0.04 1.08 -1.02 0.61 115.11 114.85 3b8h h GLN 145 Ca 0.16 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.45 3b8h h GLN 145 Cb 0.40 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.76 3b8h h GLN 145 CO -0.40 0.02 0.55 0.00 -0.95 0.00 0.00 178.83 178.05 3b8h h ALA 146 N 1.08 1.66 -0.20 3.87 0.00 -0.57 -0.75 119.26 124.35 3b8h h ALA 146 Ca 0.04 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3b8h h ALA 146 Cb 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3b8h h ALA 146 CO -0.07 0.17 -0.61 -0.07 0.00 0.00 0.00 179.25 178.67 3b8h h LEU 147 N 0.85 0.75 -1.34 0.00 3.38 -0.29 -1.44 115.31 117.21 3b8h h LEU 147 Ca 0.39 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3b8h h LEU 147 Cb 0.38 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3b8h h LEU 147 CO -0.16 1.18 0.00 1.23 0.09 0.00 0.00 178.44 180.79 3b8h h GLY 148 N 0.91 0.00 -0.90 0.83 0.00 0.20 -0.34 103.07 103.76 3b8h h GLY 148 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3b8h h GLY 148 CO 0.12 0.00 -0.03 1.18 0.00 0.00 0.00 176.54 177.81 3b8h n GLU 149 N -2.56 1.80 -2.99 4.80 -0.58 -0.39 -4.96 120.64 115.76 3b8h n GLU 149 Ca 0.00 -1.24 -0.12 0.00 -0.42 0.00 0.00 57.16 55.38 3b8h n GLU 149 Cb 0.19 -1.47 0.06 0.00 -0.57 0.00 0.00 31.44 29.64 3b8h n GLU 149 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3b8h n ARG 150 N 0.49 -4.31 -4.48 3.49 1.74 -0.14 -4.99 116.66 108.46 3b8h n ARG 150 Ca 0.17 0.61 -0.34 0.00 -0.77 0.00 0.00 57.85 57.52 3b8h n ARG 150 Cb 0.44 -4.87 -0.12 0.00 -1.02 0.00 0.00 32.46 26.89 3b8h n ARG 150 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3b8h s ILE 151 N -3.26 3.80 0.04 0.55 1.01 -0.58 -4.96 121.20 117.80 3b8h s ILE 151 Ca 0.05 -0.40 -0.26 0.00 0.00 0.00 0.00 60.65 60.03 3b8h s ILE 151 Cb -0.01 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 3b8h s ILE 151 CO 0.52 0.53 0.80 -0.75 0.00 0.00 0.00 174.94 176.04 3b8h s LYS 152 N 0.03 4.52 0.00 2.79 2.20 -0.84 -4.54 119.74 123.91 3b8h s LYS 152 Ca -0.00 1.13 -0.06 0.00 -0.36 0.00 0.00 55.97 56.68 3b8h s LYS 152 Cb -0.13 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 3b8h s LYS 152 CO 0.03 0.22 0.25 -1.25 -0.36 0.00 0.00 175.35 174.23 3b8h s PRO 153 N 0.15 3.54 -0.03 4.03 0.05 -1.26 -0.52 135.00 140.96 3b8h s PRO 153 Ca 0.41 -0.13 0.03 0.00 0.05 0.00 0.00 61.00 61.35 3b8h s PRO 153 Cb -0.21 -3.08 0.00 0.00 0.05 0.00 0.00 34.50 31.27 3b8h s PRO 153 CO 0.24 0.65 -0.10 0.14 0.05 0.00 0.00 177.00 177.98 3b8h s VAL 154 N -1.30 0.89 -0.04 -0.36 -7.23 -0.45 -4.88 120.40 107.02 3b8h s VAL 154 Ca 0.27 -0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 60.01 3b8h s VAL 154 Cb -0.13 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 3b8h s VAL 154 CO 0.16 0.27 0.07 -0.69 -0.31 0.00 0.00 175.10 174.61 3b8h s VAL 155 N 0.19 4.71 -0.11 1.32 1.01 -0.93 -0.33 120.40 126.27 3b8h s VAL 155 Ca -0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 3b8h s VAL 155 Cb -0.09 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.21 3b8h s VAL 155 CO 0.01 0.45 -0.07 0.54 0.00 0.00 0.00 175.10 176.02 3b8h s VAL 156 N -1.10 0.99 -0.65 2.92 0.11 -0.68 -0.34 120.40 121.65 3b8h s VAL 156 Ca 0.19 -0.27 -0.24 0.00 -2.93 0.00 0.00 61.98 58.74 3b8h s VAL 156 Cb -0.12 -1.01 0.06 0.00 -1.53 0.00 0.00 36.38 33.78 3b8h s VAL 156 CO 0.10 0.36 1.02 -0.63 -3.33 0.00 0.00 175.10 172.61 3b8h s ILE 157 N 1.70 4.23 0.61 7.04 1.01 0.13 -1.83 121.20 134.10 3b8h s ILE 157 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 3b8h s ILE 157 Cb -0.13 -4.70 0.04 0.00 0.01 0.00 0.00 42.46 37.68 3b8h s ILE 157 CO -0.08 -1.46 0.88 0.21 0.00 0.00 0.00 174.94 174.49 3b8h s ASN 158 N 3.53 5.18 -1.39 3.58 2.47 0.32 -2.05 114.94 126.58 3b8h s ASN 158 Ca 0.26 0.31 -0.08 0.00 0.42 0.00 0.00 52.86 53.77 3b8h s ASN 158 Cb -0.14 -1.14 0.01 0.00 -1.45 0.00 0.00 41.25 38.52 3b8h s ASN 158 CO 0.13 -1.28 1.02 0.29 -3.72 0.00 0.00 177.10 173.54 3b8h n LYS 159 N -2.59 -7.09 0.15 0.43 5.02 -0.57 -2.05 118.16 111.45 3b8h n LYS 159 Ca 0.07 0.84 0.03 0.00 -2.02 0.00 0.00 58.31 57.23 3b8h n LYS 159 Cb 0.60 -5.81 0.41 0.00 -0.02 0.00 0.00 35.03 30.20 3b8h n LYS 159 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3b8h h VAL 160 N -2.34 1.18 -0.94 -0.18 2.07 -1.71 -3.02 116.25 111.31 3b8h h VAL 160 Ca -0.55 -0.82 0.28 0.00 0.82 0.00 0.00 66.70 66.43 3b8h h VAL 160 Cb 1.36 1.30 -0.15 0.00 -1.52 0.00 0.00 31.29 32.29 3b8h h VAL 160 CO 0.55 0.25 0.39 -2.24 0.02 0.00 0.00 177.57 176.54 3b8h h ASP 161 N 0.15 0.23 -0.21 0.57 3.04 -1.90 0.62 116.42 118.92 3b8h h ASP 161 Ca 0.03 0.20 -0.09 0.00 -3.24 0.00 0.00 57.03 53.93 3b8h h ASP 161 Cb 0.40 0.22 -0.02 0.00 -1.04 0.00 0.00 39.33 38.89 3b8h h ASP 161 CO 0.03 -0.16 -0.15 -0.09 -2.04 0.00 0.00 179.24 176.82 3b8h h ARG 162 N 0.25 0.62 -0.04 4.15 2.43 -1.93 -1.42 114.38 118.45 3b8h h ARG 162 Ca 0.65 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 3b8h h ARG 162 Cb 1.40 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 3b8h h ARG 162 CO -0.65 0.75 -0.10 0.00 -1.51 0.00 0.00 179.97 178.47 3b8h h ALA 163 N 1.27 1.77 0.00 2.80 0.00 -1.02 -1.59 119.26 122.50 3b8h h ALA 163 Ca 0.09 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 3b8h h ALA 163 Cb 0.58 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3b8h h ALA 163 CO 0.04 0.17 -1.31 1.28 0.00 0.00 0.00 179.25 179.43 3b8h n LEU 164 N -4.39 1.87 -0.06 0.00 4.77 -1.00 -1.24 117.00 116.94 3b8h n LEU 164 Ca -0.02 0.44 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 3b8h n LEU 164 Cb 0.19 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.28 3b8h n LEU 164 CO 0.36 0.20 0.50 -0.07 -1.33 0.00 0.00 177.39 177.05 3b8h h LEU 165 N -1.00 0.62 0.00 2.23 3.38 -1.32 -2.66 115.31 116.57 3b8h h LEU 165 Ca -0.34 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3b8h h LEU 165 Cb 1.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3b8h h LEU 165 CO -0.20 1.04 -0.43 1.21 0.09 0.00 0.00 178.44 180.14 3b8h n GLU 166 N -4.32 0.37 0.14 1.13 2.13 -0.63 -4.52 120.64 114.94 3b8h n GLU 166 Ca -0.06 0.46 -0.00 0.00 0.66 0.00 0.00 57.16 58.23 3b8h n GLU 166 Cb 0.49 -1.51 0.17 0.00 0.27 0.00 0.00 31.44 30.87 3b8h n GLU 166 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3b8h h LEU 167 N -0.81 0.00 -2.81 4.31 3.38 -1.55 -3.48 115.31 114.35 3b8h h LEU 167 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 3b8h h LEU 167 Cb 0.43 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.28 3b8h h LEU 167 CO 0.00 0.60 -0.91 0.00 0.09 0.00 0.00 178.44 178.22 3b8h n GLN 168 N -3.68 -2.00 -2.37 1.13 6.02 -0.37 -4.96 117.38 111.15 3b8h n GLN 168 Ca -0.01 0.57 -0.30 0.00 -0.01 0.00 0.00 57.00 57.26 3b8h n GLN 168 Cb 0.63 -4.67 -0.01 0.00 1.02 0.00 0.00 30.24 27.21 3b8h n GLN 168 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3b8h s VAL 169 N -3.49 4.77 0.73 5.09 -7.23 -0.83 -5.01 120.40 114.44 3b8h s VAL 169 Ca 0.40 0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 61.08 3b8h s VAL 169 Cb -0.12 -3.83 0.03 0.00 0.56 0.00 0.00 36.38 33.02 3b8h s VAL 169 CO 0.83 -0.88 1.10 -0.94 -0.31 0.00 0.00 175.10 174.89 3b8h s SER 170 N -3.86 5.17 0.20 4.85 1.04 -1.26 -4.86 113.70 114.99 3b8h s SER 170 Ca 0.52 1.20 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 3b8h s SER 170 Cb -0.10 -1.98 0.19 0.00 0.10 0.00 0.00 66.02 64.23 3b8h s SER 170 CO 0.44 -1.52 1.83 0.11 0.98 0.00 0.00 173.24 175.08 3b8h h LYS 171 N -0.78 0.75 -0.47 4.02 1.57 -1.97 -0.35 116.57 119.33 3b8h h LYS 171 Ca -0.45 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 3b8h h LYS 171 Cb 1.26 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3b8h h LYS 171 CO 0.62 0.49 -0.12 1.49 -0.57 0.00 0.00 179.45 181.37 3b8h h GLU 172 N 0.77 0.91 -0.95 3.15 4.57 -1.97 -0.94 114.58 120.11 3b8h h GLU 172 Ca 0.27 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3b8h h GLU 172 Cb 0.07 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 3b8h h GLU 172 CO -0.13 1.00 0.58 -0.44 -1.18 0.00 0.00 179.01 178.84 3b8h h ASP 173 N 0.75 1.14 -0.41 1.04 3.32 -1.83 0.18 116.42 120.60 3b8h h ASP 173 Ca 0.12 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 3b8h h ASP 173 Cb 0.67 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3b8h h ASP 173 CO 0.05 0.87 -0.13 0.25 -1.72 0.00 0.00 179.24 178.55 3b8h h LEU 174 N 1.31 0.83 -0.02 1.55 5.85 -0.91 -1.78 115.31 122.14 3b8h h LEU 174 Ca 0.34 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3b8h h LEU 174 Cb -0.07 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 3b8h h LEU 174 CO -0.07 1.02 0.02 0.22 -0.34 0.00 0.00 178.44 179.29 3b8h h TYR 175 N 0.64 0.03 -0.17 1.25 3.20 -0.68 -1.52 116.97 119.72 3b8h h TYR 175 Ca 0.10 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3b8h h TYR 175 Cb 0.67 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3b8h h TYR 175 CO 0.05 0.03 0.03 1.96 -1.64 0.00 0.00 178.16 178.59 3b8h h GLN 176 N 0.03 0.23 -0.36 1.82 1.08 -0.96 -0.46 115.11 116.49 3b8h h GLN 176 Ca 0.01 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3b8h h GLN 176 Cb 0.00 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 3b8h h GLN 176 CO -0.00 0.23 0.13 1.15 -0.95 0.00 0.00 178.83 179.39 3b8h h THR 177 N 0.23 1.20 -0.57 -0.54 2.02 -0.73 -1.64 112.91 112.88 3b8h h THR 177 Ca 0.06 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3b8h h THR 177 Cb 0.11 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3b8h h THR 177 CO -0.00 0.22 0.27 -0.26 0.37 0.00 0.00 175.52 176.12 3b8h h PHE 178 N 0.43 0.83 -0.42 3.16 0.04 -0.56 -1.71 116.94 118.70 3b8h h PHE 178 Ca 0.12 -0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.91 3b8h h PHE 178 Cb 0.22 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.05 3b8h h PHE 178 CO 0.00 0.64 0.09 0.00 -0.60 0.00 0.00 178.31 178.44 3b8h h ALA 179 N 1.11 0.46 -0.48 2.45 0.00 -0.85 0.17 119.26 122.12 3b8h h ALA 179 Ca 0.20 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3b8h h ALA 179 Cb 0.13 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3b8h h ALA 179 CO -0.02 -0.31 0.08 0.00 0.00 0.00 0.00 179.25 178.99 3b8h h ARG 180 N 0.23 0.80 0.24 0.00 3.08 -1.19 -0.70 114.38 116.83 3b8h h ARG 180 Ca 0.20 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3b8h h ARG 180 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3b8h h ARG 180 CO -0.26 0.80 -0.15 1.15 -1.07 0.00 0.00 179.97 180.44 3b8h h THR 181 N 0.67 0.68 -0.37 2.04 2.02 -0.62 0.02 112.91 117.35 3b8h h THR 181 Ca 0.15 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.35 3b8h h THR 181 Cb 0.39 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3b8h h THR 181 CO 0.01 0.00 0.25 0.58 0.37 0.00 0.00 175.52 176.73 3b8h h VAL 182 N -0.38 1.05 -0.36 3.16 2.07 -0.65 -2.00 116.25 119.14 3b8h h VAL 182 Ca -0.02 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3b8h h VAL 182 Cb 0.32 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3b8h h VAL 182 CO 0.02 0.08 0.11 -0.08 0.02 0.00 0.00 177.57 177.72 3b8h h GLU 183 N 0.43 0.56 -0.53 1.57 4.57 -0.31 -2.27 114.58 118.60 3b8h h GLU 183 Ca 0.15 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3b8h h GLU 183 Cb 0.06 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3b8h h GLU 183 CO -0.03 0.58 0.22 0.77 -1.18 0.00 0.00 179.01 179.37 3b8h h SER 184 N 0.44 0.73 -0.23 1.04 0.02 -0.33 -1.83 113.55 113.38 3b8h h SER 184 Ca 0.12 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3b8h h SER 184 Cb 0.25 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3b8h h SER 184 CO -0.00 0.69 0.14 0.58 -1.14 0.00 0.00 176.83 177.09 3b8h h VAL 185 N 0.71 1.03 0.00 2.27 2.07 -1.29 -2.72 116.25 118.32 3b8h h VAL 185 Ca 0.18 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 3b8h h VAL 185 Cb 0.19 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3b8h h VAL 185 CO -0.02 0.05 -0.32 0.78 0.02 0.00 0.00 177.57 178.08 3b8h h ASN 186 N 0.28 0.00 -0.73 0.57 2.35 -1.29 0.49 115.58 117.25 3b8h h ASN 186 Ca 0.09 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3b8h h ASN 186 Cb -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 3b8h h ASN 186 CO -0.04 0.32 0.48 0.58 -1.65 0.00 0.00 177.43 177.12 3b8h h VAL 187 N 0.00 1.19 -0.19 2.81 2.07 -1.04 0.12 116.25 121.21 3b8h h VAL 187 Ca -0.00 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 3b8h h VAL 187 Cb 0.78 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3b8h h VAL 187 CO 0.04 0.18 -0.12 0.40 0.02 0.00 0.00 177.57 178.09 3b8h h ILE 188 N 0.98 1.32 0.07 4.57 2.04 -1.08 -3.09 117.51 122.33 3b8h h ILE 188 Ca 0.27 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 3b8h h ILE 188 Cb -0.11 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3b8h h ILE 188 CO -0.06 0.37 -0.03 0.58 0.00 0.00 0.00 178.15 179.01 3b8h h VAL 189 N 0.09 1.05 0.00 1.67 2.07 -0.64 -1.40 116.25 119.09 3b8h h VAL 189 Ca 0.04 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3b8h h VAL 189 Cb 0.63 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3b8h h VAL 189 CO 0.03 0.10 -0.10 0.77 0.02 0.00 0.00 177.57 178.40 3b8h h SER 190 N -0.28 0.00 0.20 0.57 4.64 -0.90 0.15 113.55 117.93 3b8h h SER 190 Ca -0.01 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 3b8h h SER 190 Cb 0.24 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.36 3b8h h SER 190 CO 0.02 0.10 -1.30 0.74 -0.87 0.00 0.00 176.83 175.51 3b8h h THR 191 N 0.00 1.28 0.00 2.95 2.02 -1.41 -3.40 112.91 114.35 3b8h h THR 191 Ca -0.00 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.59 3b8h h THR 191 Cb 0.40 3.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 3b8h h THR 191 CO 0.01 0.78 -1.14 -1.22 0.37 0.00 0.00 175.52 174.32 3b8h n TYR 192 N -3.86 0.00 -2.08 3.16 4.01 -0.55 -4.55 117.16 113.29 3b8h n TYR 192 Ca -0.18 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.15 3b8h n TYR 192 Cb 0.99 -0.16 -0.02 0.00 -0.31 0.00 0.00 39.34 39.84 3b8h n TYR 192 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3b8h s ALA 193 N -2.51 3.51 0.14 -0.72 0.00 0.52 -4.37 121.76 118.33 3b8h s ALA 193 Ca -0.01 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 3b8h s ALA 193 Cb 0.08 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 3b8h s ALA 193 CO 0.47 -0.69 1.21 0.34 0.00 0.00 0.00 175.76 177.10 3b8h s ASP 194 N -0.40 7.06 0.45 0.00 -1.08 -1.26 -4.90 116.67 116.54 3b8h s ASP 194 Ca 0.50 2.17 0.25 0.00 -0.52 0.00 0.00 52.55 54.94 3b8h s ASP 194 Cb -0.41 -2.60 1.26 0.00 -1.46 0.00 0.00 42.92 39.72 3b8h s ASP 194 CO 0.53 -0.43 1.78 -0.33 0.52 0.00 0.00 175.17 177.25 3b8h h GLU 195 N 5.90 0.25 -0.01 4.34 3.07 -1.92 -1.31 114.58 124.89 3b8h h GLU 195 Ca -0.43 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3b8h h GLU 195 Cb 1.21 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3b8h h GLU 195 CO 0.78 0.16 0.00 0.28 -1.40 0.00 0.00 179.01 178.83 3b8h n VAL 196 N -4.49 0.00 0.46 3.13 0.31 -1.26 -2.20 118.33 114.29 3b8h n VAL 196 Ca 0.25 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.63 3b8h n VAL 196 Cb 1.00 -0.14 -0.03 0.00 -0.91 0.00 0.00 33.84 33.76 3b8h n VAL 196 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3b8h n LEU 197 N -0.49 0.84 0.00 7.52 4.77 -0.49 -5.09 117.00 124.05 3b8h n LEU 197 Ca 0.00 -0.63 0.03 0.00 -0.03 0.00 0.00 56.01 55.38 3b8h n LEU 197 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3b8h n LEU 197 CO 0.00 0.18 -0.04 0.61 -1.33 0.00 0.00 177.39 176.81 3b8h n GLY 198 N 1.07 -2.13 3.60 -0.72 0.00 -0.93 -4.71 105.19 101.37 3b8h n GLY 198 Ca 0.03 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 3b8h n GLY 198 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3b8h n ASP 199 N -1.13 3.35 -0.51 1.61 2.03 -1.26 -4.80 116.55 115.84 3b8h n ASP 199 Ca 0.00 0.35 0.05 0.00 0.52 0.00 0.00 54.79 55.72 3b8h n ASP 199 Cb 0.09 -1.53 0.08 0.00 -0.72 0.00 0.00 41.12 39.05 3b8h n ASP 199 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3b8h n VAL 200 N 7.28 0.38 -1.19 5.18 0.31 -1.26 -5.02 118.33 124.00 3b8h n VAL 200 Ca 0.29 -0.69 -0.34 0.00 -0.01 0.00 0.00 64.34 63.59 3b8h n VAL 200 Cb 0.42 0.95 0.11 0.00 -0.91 0.00 0.00 33.84 34.41 3b8h n VAL 200 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3b8h n GLN 201 N 0.57 0.28 -3.82 5.55 6.02 -1.26 -4.74 117.38 119.98 3b8h n GLN 201 Ca 0.08 0.16 -0.37 0.00 -0.01 0.00 0.00 57.00 56.86 3b8h n GLN 201 Cb 0.33 -2.29 -0.06 0.00 1.02 0.00 0.00 30.24 29.24 3b8h n GLN 201 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3b8h s VAL 202 N -2.01 5.44 -0.08 5.09 -7.23 -1.26 -5.08 120.40 115.26 3b8h s VAL 202 Ca 0.72 0.29 -0.00 0.00 -1.81 0.00 0.00 61.98 61.18 3b8h s VAL 202 Cb -0.31 -3.45 0.02 0.00 0.56 0.00 0.00 36.38 33.21 3b8h s VAL 202 CO 0.52 0.60 -0.05 -0.31 -0.31 0.00 0.00 175.10 175.55 3b8h s TYR 203 N -0.93 1.06 0.25 2.82 2.02 -1.26 -4.98 117.35 116.33 3b8h s TYR 203 Ca 0.16 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.41 3b8h s TYR 203 Cb -0.13 -0.95 0.45 0.00 -0.40 0.00 0.00 41.96 40.93 3b8h s TYR 203 CO 0.05 -0.36 1.79 -1.35 -1.57 0.00 0.00 175.55 174.11 3b8h h PRO 204 N 7.87 0.67 0.00 -1.71 0.11 -1.89 -0.15 132.00 136.91 3b8h h PRO 204 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3b8h h PRO 204 Cb 1.14 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3b8h h PRO 204 CO 0.38 0.45 0.00 0.00 -0.21 0.00 0.00 178.00 178.62 3b8h h ALA 205 N 1.50 1.00 -0.03 -0.75 0.00 -1.94 -0.68 119.26 118.36 3b8h h ALA 205 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3b8h h ALA 205 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3b8h h ALA 205 CO -0.30 0.00 -0.03 0.54 0.00 0.00 0.00 179.25 179.47 3b8h n ARG 206 N -2.48 1.84 -0.96 0.00 1.74 -0.10 -4.45 116.66 112.26 3b8h n ARG 206 Ca -0.01 -1.68 0.00 0.00 -0.77 0.00 0.00 57.85 55.39 3b8h n ARG 206 Cb 0.11 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3b8h n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b8h n GLY 207 N 1.17 0.42 1.54 -0.13 0.00 -0.26 -4.93 105.19 102.99 3b8h n GLY 207 Ca 0.12 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.28 3b8h n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3b8h n THR 208 N -2.96 2.21 -3.73 2.61 -2.24 -1.08 -4.70 114.28 104.39 3b8h n THR 208 Ca 0.00 -1.38 -0.15 0.00 -2.27 0.00 0.00 64.05 60.25 3b8h n THR 208 Cb 0.00 -0.06 -0.15 0.00 -2.10 0.00 0.00 70.33 68.02 3b8h n THR 208 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3b8h s VAL 209 N -2.29 -0.11 0.25 2.28 1.01 -1.26 -2.18 120.40 118.10 3b8h s VAL 209 Ca 0.50 0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.83 3b8h s VAL 209 Cb 0.35 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.48 3b8h s VAL 209 CO 0.19 0.11 -0.05 0.00 0.00 0.00 0.00 175.10 175.34 3b8h s ALA 210 N 1.52 3.07 -0.02 5.51 0.00 0.54 -4.49 121.76 127.88 3b8h s ALA 210 Ca -0.05 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.29 3b8h s ALA 210 Cb -0.12 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.30 3b8h s ALA 210 CO -0.05 0.31 -0.07 -0.06 0.00 0.00 0.00 175.76 175.88 3b8h s PHE 211 N -2.23 0.80 -0.78 0.00 0.08 -0.23 0.21 117.98 115.83 3b8h s PHE 211 Ca 0.30 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.16 3b8h s PHE 211 Cb -0.07 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.79 3b8h s PHE 211 CO 0.18 -0.10 0.00 0.41 -0.10 0.00 0.00 175.22 175.62 3b8h n GLY 212 N 3.36 -1.26 2.73 4.36 0.00 -0.87 -0.31 105.19 113.20 3b8h n GLY 212 Ca -0.19 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 3b8h n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3b8h s SER 213 N -4.00 3.43 0.28 1.61 0.15 0.11 -1.51 113.70 113.77 3b8h s SER 213 Ca 0.00 -1.18 0.01 0.00 0.70 0.00 0.00 55.95 55.48 3b8h s SER 213 Cb 0.00 -0.71 0.57 0.00 -1.71 0.00 0.00 66.02 64.18 3b8h s SER 213 CO 0.00 -0.35 1.81 1.23 1.20 0.00 0.00 173.24 177.13 3b8h h GLY 214 N 8.18 1.60 -0.14 9.45 0.00 -1.93 0.18 103.07 120.41 3b8h h GLY 214 Ca -0.16 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 46.84 3b8h h GLY 214 CO 0.40 0.08 -0.49 -2.00 0.00 0.00 0.00 176.54 174.53 3b8h h LEU 215 N 0.87 -1.56 0.00 3.11 5.85 -1.94 -1.99 115.31 119.65 3b8h h LEU 215 Ca 0.50 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.42 3b8h h LEU 215 Cb 0.59 0.63 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3b8h h LEU 215 CO -0.30 -0.44 -0.26 1.41 -0.34 0.00 0.00 178.44 178.50 3b8h n HIS 216 N -5.43 0.06 -1.98 1.25 8.25 -1.00 -4.96 115.22 111.42 3b8h n HIS 216 Ca -0.04 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3b8h n HIS 216 Cb 0.37 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.07 3b8h n HIS 216 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b8h n GLY 217 N 1.48 0.44 3.31 -1.41 0.00 0.60 -4.45 105.19 105.15 3b8h n GLY 217 Ca 0.06 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 3b8h n GLY 217 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3b8h s TRP 218 N -2.05 1.98 -0.01 1.61 1.48 -1.05 -2.08 118.94 118.82 3b8h s TRP 218 Ca 0.00 -0.40 -0.28 0.00 -1.06 0.00 0.00 56.10 54.36 3b8h s TRP 218 Cb 0.00 -1.12 0.10 0.00 -1.16 0.00 0.00 33.47 31.29 3b8h s TRP 218 CO 0.00 0.19 0.83 0.00 -4.06 0.00 0.00 176.95 173.91 3b8h s ALA 219 N -0.99 -1.80 0.14 2.67 0.00 -0.46 0.04 121.76 121.36 3b8h s ALA 219 Ca 0.09 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 53.01 3b8h s ALA 219 Cb -0.10 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.25 3b8h s ALA 219 CO 0.04 -0.58 0.32 -0.59 0.00 0.00 0.00 175.76 174.95 3b8h s PHE 220 N -2.55 0.10 0.19 0.00 -0.12 0.57 -4.44 117.98 111.73 3b8h s PHE 220 Ca 0.01 -0.47 0.08 0.00 -0.05 0.00 0.00 56.93 56.50 3b8h s PHE 220 Cb -0.01 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 3b8h s PHE 220 CO -0.05 -0.69 -0.16 0.95 -0.05 0.00 0.00 175.22 175.21 3b8h s THR 221 N -3.88 1.80 0.54 -4.49 -4.23 -1.26 -1.07 115.64 103.06 3b8h s THR 221 Ca 0.09 -2.10 0.21 0.00 -1.18 0.00 0.00 61.69 58.71 3b8h s THR 221 Cb 0.03 -1.97 0.31 0.00 1.34 0.00 0.00 72.50 72.21 3b8h s THR 221 CO -0.07 -0.47 2.15 0.40 -0.54 0.00 0.00 174.62 176.09 3b8h h ILE 222 N 2.83 0.83 -0.53 2.99 1.08 -1.79 -1.49 117.51 121.43 3b8h h ILE 222 Ca -0.40 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 63.99 3b8h h ILE 222 Cb 1.22 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.90 3b8h h ILE 222 CO 0.57 0.00 -0.01 -0.09 -0.69 0.00 0.00 178.15 177.93 3b8h h ARG 223 N 0.00 0.90 -0.50 2.37 2.43 -1.92 0.49 114.38 118.15 3b8h h ARG 223 Ca 0.04 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.91 3b8h h ARG 223 Cb 0.16 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3b8h h ARG 223 CO -0.00 0.90 0.19 1.96 -1.51 0.00 0.00 179.97 181.51 3b8h h GLN 224 N 0.83 0.76 0.00 0.20 4.20 -1.68 0.27 115.11 119.70 3b8h h GLN 224 Ca 0.15 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 3b8h h GLN 224 Cb 0.51 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3b8h h GLN 224 CO 0.03 0.69 -0.60 0.74 -0.67 0.00 0.00 178.83 179.02 3b8h h PHE 225 N 0.68 0.00 -0.37 2.96 0.04 -1.45 -2.84 116.94 115.95 3b8h h PHE 225 Ca 0.17 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.84 3b8h h PHE 225 Cb 0.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3b8h h PHE 225 CO 0.01 0.60 -0.15 0.00 -0.60 0.00 0.00 178.31 178.17 3b8h h ALA 226 N 1.40 0.52 -0.90 2.45 0.00 -0.54 -1.72 119.26 120.48 3b8h h ALA 226 Ca -0.01 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3b8h h ALA 226 Cb 1.21 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3b8h h ALA 226 CO 0.08 0.43 0.59 1.15 0.00 0.00 0.00 179.25 181.49 3b8h h THR 227 N 0.55 1.23 0.11 0.00 2.02 -0.94 0.53 112.91 116.41 3b8h h THR 227 Ca 0.09 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 3b8h h THR 227 Cb 0.68 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3b8h h THR 227 CO 0.05 0.23 -0.05 -0.09 0.37 0.00 0.00 175.52 176.02 3b8h h ARG 228 N 1.22 -0.14 0.00 6.66 2.43 -1.26 -3.18 114.38 120.11 3b8h h ARG 228 Ca 0.33 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3b8h h ARG 228 Cb -0.13 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3b8h h ARG 228 CO -0.07 0.16 -0.19 0.66 -1.51 0.00 0.00 179.97 179.02 3b8h n TYR 229 N -5.02 0.44 -0.38 2.20 4.01 -0.67 -4.16 117.16 113.58 3b8h n TYR 229 Ca -0.09 0.13 0.30 0.00 -0.16 0.00 0.00 57.90 58.08 3b8h n TYR 229 Cb 0.20 -0.66 0.57 0.00 -0.31 0.00 0.00 39.34 39.14 3b8h n TYR 229 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3b8h h ALA 230 N 2.73 2.38 0.11 -0.72 0.00 -0.86 -0.85 119.26 122.05 3b8h h ALA 230 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 3b8h h ALA 230 Cb 0.63 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3b8h h ALA 230 CO 0.00 -0.95 -1.10 0.87 0.00 0.00 0.00 179.25 178.06 3b8h h LYS 231 N 0.22 0.23 0.00 0.00 1.57 -1.78 -2.08 116.57 114.73 3b8h h LYS 231 Ca 0.74 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3b8h h LYS 231 Cb 2.05 0.15 0.00 0.00 0.08 0.00 0.00 32.23 34.51 3b8h h LYS 231 CO -0.45 1.19 0.00 1.63 -0.57 0.00 0.00 179.45 181.25 3b8h n LYS 232 N -4.07 0.03 0.00 3.15 5.02 -0.36 -1.28 118.16 120.65 3b8h n LYS 232 Ca -0.21 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3b8h n LYS 232 Cb 0.83 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 3b8h n LYS 232 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3b8h n PHE 233 N -1.13 0.00 -4.00 2.13 3.72 -1.02 -5.03 117.46 112.14 3b8h n PHE 233 Ca 0.01 -0.14 -0.36 0.00 -0.05 0.00 0.00 57.45 56.90 3b8h n PHE 233 Cb 0.01 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.53 3b8h n PHE 233 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3b8h n GLY 234 N -0.14 -0.64 3.04 1.37 0.00 -0.40 -4.96 105.19 103.46 3b8h n GLY 234 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 3b8h n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8h s VAL 235 N -3.75 0.08 0.17 1.61 1.01 -0.79 -5.06 120.40 113.67 3b8h s VAL 235 Ca 0.31 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 3b8h s VAL 235 Cb -0.15 -0.33 -0.08 0.00 0.00 0.00 0.00 36.38 35.83 3b8h s VAL 235 CO 0.93 -0.35 1.18 1.51 0.00 0.00 0.00 175.10 178.38 3b8h s ASP 236 N -1.15 7.11 0.32 3.32 3.84 -1.26 -4.57 116.67 124.28 3b8h s ASP 236 Ca -0.12 2.19 0.18 0.00 -0.00 0.00 0.00 52.55 54.79 3b8h s ASP 236 Cb -0.07 -2.60 1.16 0.00 -1.38 0.00 0.00 42.92 40.03 3b8h s ASP 236 CO 0.01 -0.36 1.36 1.17 -0.00 0.00 0.00 175.17 177.35 3b8h n LYS 237 N 2.62 -0.05 0.07 2.11 4.81 -1.26 -1.55 118.16 124.91 3b8h n LYS 237 Ca 0.04 1.19 -0.12 0.00 -0.87 0.00 0.00 58.31 58.56 3b8h n LYS 237 Cb 0.45 -2.14 -0.05 0.00 0.02 0.00 0.00 35.03 33.32 3b8h n LYS 237 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3b8h h ALA 238 N 1.72 -0.37 0.00 3.14 0.00 -1.95 -2.29 119.26 119.51 3b8h h ALA 238 Ca 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.63 3b8h h ALA 238 Cb 1.94 0.44 0.00 0.00 0.00 0.00 0.00 17.79 20.17 3b8h h ALA 238 CO -0.66 -0.77 0.00 0.36 0.00 0.00 0.00 179.25 178.18 3b8h n LYS 239 N -5.37 0.21 -0.03 0.00 2.85 -0.60 -2.41 118.16 112.80 3b8h n LYS 239 Ca -0.05 0.18 -0.15 0.00 -1.05 0.00 0.00 58.31 57.24 3b8h n LYS 239 Cb 0.29 -1.74 -0.12 0.00 -0.65 0.00 0.00 35.03 32.81 3b8h n LYS 239 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 3b8h h MET 240 N 0.00 0.13 0.00 -1.58 4.05 -1.35 -2.66 114.93 113.52 3b8h h MET 240 Ca 0.00 -0.14 -0.03 0.00 -0.28 0.00 0.00 59.70 59.25 3b8h h MET 240 Cb 0.68 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.51 3b8h h MET 240 CO 0.00 0.89 -0.15 0.00 0.23 0.00 0.00 176.91 177.88 3b8h h MET 241 N -0.58 0.00 -0.30 0.39 -0.00 -1.47 -0.75 114.93 112.22 3b8h h MET 241 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.62 3b8h h MET 241 Cb 0.96 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.54 3b8h h MET 241 CO 0.04 0.15 -0.05 0.22 -0.00 0.00 0.00 176.91 177.26 3b8h h ASP 242 N 0.00 0.45 0.65 -0.10 1.82 -1.46 -3.04 116.42 114.75 3b8h h ASP 242 Ca -0.00 -0.09 -0.27 0.00 -0.39 0.00 0.00 57.03 56.28 3b8h h ASP 242 Cb 0.61 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.47 3b8h h ASP 242 CO 0.02 0.56 -1.40 0.03 -1.61 0.00 0.00 179.24 176.84 3b8h h ARG 243 N 0.45 0.08 -0.12 0.28 3.08 -0.93 -3.34 114.38 113.89 3b8h h ARG 243 Ca 0.09 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3b8h h ARG 243 Cb 0.38 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3b8h h ARG 243 CO 0.02 0.88 0.00 1.28 -1.07 0.00 0.00 179.97 181.08 3b8h n LEU 244 N -3.29 0.12 -3.76 3.04 4.77 -0.38 -4.37 117.00 113.13 3b8h n LEU 244 Ca -0.11 -0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.68 3b8h n LEU 244 Cb 1.01 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.96 3b8h n LEU 244 CO 0.47 0.03 0.03 0.86 -1.33 0.00 0.00 177.39 177.45 3b8h s TRP 245 N -1.80 -0.16 0.00 -1.77 -0.11 -1.25 -3.79 118.94 110.06 3b8h s TRP 245 Ca 0.00 0.18 0.00 0.00 1.22 0.00 0.00 56.10 57.50 3b8h s TRP 245 Cb 0.00 0.10 0.00 0.00 -1.50 0.00 0.00 33.47 32.07 3b8h s TRP 245 CO 0.00 -0.42 0.00 0.41 -4.62 0.00 0.00 176.95 172.32 3b8h n GLY 246 N 1.07 -0.76 2.61 5.86 0.00 -1.26 -4.46 105.19 108.25 3b8h n GLY 246 Ca -0.21 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 3b8h n GLY 246 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3b8h n ASP 247 N 0.54 7.38 -4.47 1.61 8.00 -1.26 -4.74 116.55 123.61 3b8h n ASP 247 Ca 0.00 -3.30 -0.33 0.00 0.71 0.00 0.00 54.79 51.87 3b8h n ASP 247 Cb 0.00 -1.32 -0.13 0.00 -0.02 0.00 0.00 41.12 39.65 3b8h n ASP 247 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3b8h s SER 248 N -0.16 4.23 -0.05 -2.24 0.01 -1.26 -4.49 113.70 109.74 3b8h s SER 248 Ca 0.47 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.54 3b8h s SER 248 Cb 0.16 -1.24 0.02 0.00 0.21 0.00 0.00 66.02 65.18 3b8h s SER 248 CO -0.08 0.28 -0.04 -0.36 0.41 0.00 0.00 173.24 173.46 3b8h s PHE 249 N -0.32 0.74 -0.49 2.43 0.08 -0.01 -0.61 117.98 119.80 3b8h s PHE 249 Ca 0.03 -0.21 -0.13 0.00 0.12 0.00 0.00 56.93 56.75 3b8h s PHE 249 Cb -0.13 -0.70 0.11 0.00 -0.57 0.00 0.00 43.02 41.73 3b8h s PHE 249 CO 0.02 -0.23 0.39 0.12 -0.10 0.00 0.00 175.22 175.43 3b8h s PHE 250 N 1.15 3.32 -0.02 0.36 5.36 -1.26 -0.18 117.98 126.70 3b8h s PHE 250 Ca -0.07 -1.47 -0.30 0.00 -0.96 0.00 0.00 56.93 54.13 3b8h s PHE 250 Cb -0.14 -3.47 -0.08 0.00 -0.34 0.00 0.00 43.02 38.99 3b8h s PHE 250 CO -0.01 -0.95 2.02 1.21 -1.46 0.00 0.00 175.22 176.03 3b8h s ASN 251 N 2.90 6.23 0.33 6.13 3.84 -0.10 -4.86 114.94 129.41 3b8h s ASN 251 Ca 0.04 2.48 0.07 0.00 0.21 0.00 0.00 52.86 55.66 3b8h s ASN 251 Cb -0.27 -2.53 0.59 0.00 -0.55 0.00 0.00 41.25 38.50 3b8h s ASN 251 CO 0.02 -1.26 1.81 -0.65 -2.79 0.00 0.00 177.10 174.23 3b8h h PRO 252 N 11.60 0.32 0.13 0.43 0.11 -1.97 0.13 132.00 142.75 3b8h h PRO 252 Ca -0.47 -0.10 -0.29 0.00 0.11 0.00 0.00 66.00 65.24 3b8h h PRO 252 Cb 1.24 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 32.35 3b8h h PRO 252 CO 0.95 0.53 -1.22 0.87 -0.21 0.00 0.00 178.00 178.91 3b8h h LYS 253 N 0.29 0.61 0.00 1.05 1.57 -1.98 -3.33 116.57 114.78 3b8h h LYS 253 Ca 0.05 -0.82 0.00 0.00 -1.87 0.00 0.00 60.65 58.01 3b8h h LYS 253 Cb 0.56 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3b8h h LYS 253 CO 0.04 1.37 -0.97 0.25 -0.57 0.00 0.00 179.45 179.57 3b8h n THR 254 N -3.82 0.04 -3.57 -0.16 -2.24 -1.21 -4.98 114.28 98.34 3b8h n THR 254 Ca -0.14 -0.10 -0.20 0.00 -2.27 0.00 0.00 64.05 61.35 3b8h n THR 254 Cb 0.98 0.56 0.06 0.00 -2.10 0.00 0.00 70.33 69.82 3b8h n THR 254 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3b8h n LYS 255 N -1.67 -5.34 -3.97 -0.78 4.76 0.45 -4.99 118.16 106.62 3b8h n LYS 255 Ca 0.03 0.72 -0.15 0.00 -2.87 0.00 0.00 58.31 56.04 3b8h n LYS 255 Cb 0.38 -5.45 -0.15 0.00 -1.84 0.00 0.00 35.03 27.97 3b8h n LYS 255 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3b8h s LYS 256 N -5.66 0.22 0.26 1.97 2.20 -1.14 -4.96 119.74 112.64 3b8h s LYS 256 Ca 0.04 -0.02 -0.23 0.00 -0.36 0.00 0.00 55.97 55.40 3b8h s LYS 256 Cb -0.01 -0.29 -0.09 0.00 -1.51 0.00 0.00 37.83 35.93 3b8h s LYS 256 CO 0.78 -0.02 0.83 -1.58 -0.36 0.00 0.00 175.35 174.99 3b8h s TRP 257 N 0.38 3.69 0.08 4.03 0.52 -1.26 -0.92 118.94 125.45 3b8h s TRP 257 Ca -0.03 1.59 -0.13 0.00 0.02 0.00 0.00 56.10 57.54 3b8h s TRP 257 Cb -0.06 -2.77 0.02 0.00 -1.15 0.00 0.00 33.47 29.51 3b8h s TRP 257 CO -0.01 0.29 0.30 0.99 0.02 0.00 0.00 176.95 178.54 3b8h s THR 258 N -1.54 0.10 -0.27 2.01 2.01 0.74 -4.96 115.64 113.73 3b8h s THR 258 Ca 0.46 -0.81 0.16 0.00 0.31 0.00 0.00 61.69 61.81 3b8h s THR 258 Cb -0.18 -1.13 0.46 0.00 0.01 0.00 0.00 72.50 71.65 3b8h s THR 258 CO 0.23 -0.44 1.35 0.59 -0.69 0.00 0.00 174.62 175.66 3b8h n ASN 259 N 0.14 3.51 -4.19 3.53 3.02 -1.26 -0.83 115.26 119.17 3b8h n ASN 259 Ca -0.17 -2.86 -0.32 0.00 -0.03 0.00 0.00 54.58 51.20 3b8h n ASN 259 Cb 0.62 -0.47 -0.17 0.00 -0.61 0.00 0.00 39.78 39.15 3b8h n ASN 259 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3b8h s LYS 260 N -2.54 3.04 -0.01 3.52 2.20 -1.26 -4.92 119.74 119.77 3b8h s LYS 260 Ca 0.37 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 55.13 3b8h s LYS 260 Cb 0.29 -2.39 0.05 0.00 -1.51 0.00 0.00 37.83 34.27 3b8h s LYS 260 CO 0.09 0.06 0.72 -0.40 -0.36 0.00 0.00 175.35 175.46 3b8h n ASP 261 N 3.85 0.95 -3.84 1.43 5.68 -1.26 -4.71 116.55 118.65 3b8h n ASP 261 Ca -0.20 -2.04 -0.12 0.00 -0.50 0.00 0.00 54.79 51.94 3b8h n ASP 261 Cb 0.52 -0.36 -0.12 0.00 -1.14 0.00 0.00 41.12 40.02 3b8h n ASP 261 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3b8h s THR 262 N -1.37 0.02 0.38 2.12 -4.23 -1.26 -1.12 115.64 110.19 3b8h s THR 262 Ca 0.03 -0.20 -0.06 0.00 -1.18 0.00 0.00 61.69 60.28 3b8h s THR 262 Cb 0.02 -0.27 0.09 0.00 1.34 0.00 0.00 72.50 73.68 3b8h s THR 262 CO 0.01 -0.11 0.49 -0.90 -0.54 0.00 0.00 174.62 173.57 3b8h n ASP 263 N 2.58 -0.16 -0.33 3.99 5.68 -0.36 -4.87 116.55 123.09 3b8h n ASP 263 Ca -0.15 -1.12 0.02 0.00 -0.50 0.00 0.00 54.79 53.03 3b8h n ASP 263 Cb 0.58 -0.38 0.19 0.00 -1.14 0.00 0.00 41.12 40.37 3b8h n ASP 263 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3b8h h ALA 264 N -1.97 1.42 -0.18 2.12 0.00 -2.00 -1.85 119.26 116.80 3b8h h ALA 264 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3b8h h ALA 264 Cb 0.45 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3b8h h ALA 264 CO 0.11 0.48 0.00 0.39 0.00 0.00 0.00 179.25 180.23 3b8h n GLU 265 N -4.45 1.51 -0.71 0.00 1.02 -1.26 -4.89 120.64 111.86 3b8h n GLU 265 Ca 0.13 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.48 3b8h n GLU 265 Cb 0.12 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3b8h n GLU 265 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b8h n GLY 266 N 0.94 0.58 3.85 0.62 0.00 -0.69 -5.06 105.19 105.42 3b8h n GLY 266 Ca 0.11 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3b8h n GLY 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b8h s LYS 267 N -1.23 3.95 0.19 1.61 1.02 -1.26 -4.81 119.74 119.21 3b8h s LYS 267 Ca 0.00 0.48 -0.30 0.00 0.02 0.00 0.00 55.97 56.17 3b8h s LYS 267 Cb 0.00 -2.75 -0.09 0.00 -0.52 0.00 0.00 37.83 34.48 3b8h s LYS 267 CO 0.00 0.36 1.31 -2.14 -0.92 0.00 0.00 175.35 173.96 3b8h s PRO 268 N -2.42 4.39 -0.11 -1.68 0.02 -1.26 -1.22 135.00 132.72 3b8h s PRO 268 Ca 0.44 2.04 -0.03 0.00 0.02 0.00 0.00 61.00 63.47 3b8h s PRO 268 Cb -0.13 -3.20 -0.03 0.00 0.02 0.00 0.00 34.50 31.15 3b8h s PRO 268 CO 0.20 -0.27 0.02 -0.51 -0.33 0.00 0.00 177.00 176.11 3b8h s LEU 269 N 0.02 3.63 0.14 -5.54 1.43 -0.27 -4.89 118.68 113.21 3b8h s LEU 269 Ca 0.57 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 3b8h s LEU 269 Cb -0.36 -1.85 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 3b8h s LEU 269 CO 0.37 0.33 1.06 -0.70 0.23 0.00 0.00 176.35 177.64 3b8h s GLU 270 N -0.57 4.60 0.78 1.70 2.12 -1.26 -4.85 118.70 121.22 3b8h s GLU 270 Ca 0.10 1.63 -0.11 0.00 0.36 0.00 0.00 54.97 56.95 3b8h s GLU 270 Cb -0.12 -3.32 0.06 0.00 0.26 0.00 0.00 34.13 31.01 3b8h s GLU 270 CO 0.02 0.07 1.11 -0.98 -0.54 0.00 0.00 175.26 174.94 3b8h s ARG 271 N -0.03 2.13 0.23 4.30 1.70 -1.26 -4.26 118.95 121.76 3b8h s ARG 271 Ca 0.50 1.27 -0.07 0.00 -0.47 0.00 0.00 55.73 56.96 3b8h s ARG 271 Cb -0.27 -1.88 0.19 0.00 -0.57 0.00 0.00 34.95 32.43 3b8h s ARG 271 CO 0.32 -1.75 1.83 0.00 -1.08 0.00 0.00 175.30 174.62 3b8h h ALA 272 N -1.08 1.13 -0.40 7.88 0.00 -1.09 -1.61 119.26 124.09 3b8h h ALA 272 Ca -0.44 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.36 3b8h h ALA 272 Cb 1.24 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3b8h h ALA 272 CO 0.50 0.67 0.17 0.35 0.00 0.00 0.00 179.25 180.94 3b8h h PHE 273 N 1.24 0.30 -0.30 0.00 3.57 -1.79 0.52 116.94 120.48 3b8h h PHE 273 Ca 0.30 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.73 3b8h h PHE 273 Cb 0.08 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3b8h h PHE 273 CO 0.01 0.14 -0.19 -0.91 -2.23 0.00 0.00 178.31 175.13 3b8h h ASN 274 N 0.34 0.54 0.10 0.41 4.21 -1.81 -1.94 115.58 117.43 3b8h h ASN 274 Ca 0.18 -0.17 -0.14 0.00 1.21 0.00 0.00 56.30 57.38 3b8h h ASN 274 Cb 0.13 -0.15 0.02 0.00 -1.12 0.00 0.00 38.32 37.20 3b8h h ASN 274 CO -0.16 0.74 -0.60 -0.03 -1.29 0.00 0.00 177.43 176.09 3b8h h MET 275 N 0.49 0.22 0.00 0.81 4.05 -0.67 -1.86 114.93 117.98 3b8h h MET 275 Ca 0.08 -0.37 -0.05 0.00 -0.28 0.00 0.00 59.70 59.09 3b8h h MET 275 Cb 0.61 0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 3b8h h MET 275 CO 0.04 1.18 -2.02 1.19 0.23 0.00 0.00 176.91 177.53 3b8h n PHE 276 N -4.26 0.03 -0.05 1.39 3.72 0.12 -4.24 117.46 114.16 3b8h n PHE 276 Ca -0.13 0.01 -0.09 0.00 -0.05 0.00 0.00 57.45 57.19 3b8h n PHE 276 Cb 0.73 -0.57 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 3b8h n PHE 276 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3b8h n ILE 277 N -2.33 1.32 -0.09 4.37 5.41 -0.90 -4.65 119.36 122.49 3b8h n ILE 277 Ca -0.07 0.12 -0.12 0.00 1.00 0.00 0.00 62.75 63.68 3b8h n ILE 277 Cb 0.64 -2.01 0.01 0.00 -0.71 0.00 0.00 39.64 37.57 3b8h n ILE 277 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3b8h h LEU 278 N -0.65 0.92 -0.30 1.39 3.38 -1.46 -3.29 115.31 115.29 3b8h h LEU 278 Ca -0.10 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.45 3b8h h LEU 278 Cb 0.82 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3b8h h LEU 278 CO -0.06 1.19 0.19 -0.78 0.09 0.00 0.00 178.44 179.07 3b8h h ASP 279 N 0.70 0.31 -0.42 -0.43 3.58 -1.51 0.29 116.42 118.94 3b8h h ASP 279 Ca 0.06 -0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.54 3b8h h ASP 279 Cb 0.97 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.91 3b8h h ASP 279 CO 0.09 0.23 0.19 -0.65 -2.88 0.00 0.00 179.24 176.22 3b8h h PRO 280 N 0.38 0.38 -0.43 0.28 0.11 -1.80 -1.24 132.00 129.67 3b8h h PRO 280 Ca 0.11 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 3b8h h PRO 280 Cb -0.02 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 3b8h h PRO 280 CO -0.04 0.25 0.17 0.82 -0.21 0.00 0.00 178.00 179.00 3b8h h ILE 281 N 0.39 1.20 -0.35 4.15 2.04 -1.53 -2.53 117.51 120.88 3b8h h ILE 281 Ca 0.19 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3b8h h ILE 281 Cb 0.12 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3b8h h ILE 281 CO -0.15 0.23 0.23 -0.26 0.00 0.00 0.00 178.15 178.20 3b8h h PHE 282 N 0.56 0.43 -0.07 1.37 -1.00 -0.14 -1.93 116.94 116.17 3b8h h PHE 282 Ca 0.14 0.01 -0.22 0.00 2.81 0.00 0.00 57.97 60.71 3b8h h PHE 282 Cb 0.19 -0.15 0.01 0.00 3.61 0.00 0.00 35.95 39.61 3b8h h PHE 282 CO 0.00 0.27 -0.86 0.00 -1.61 0.00 0.00 178.31 176.11 3b8h h ARG 283 N 0.46 0.58 -0.39 1.51 3.08 -0.93 -1.79 114.38 116.89 3b8h h ARG 283 Ca 0.13 -0.54 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 3b8h h ARG 283 Cb -0.04 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3b8h h ARG 283 CO -0.03 1.16 0.16 -0.07 -1.07 0.00 0.00 179.97 180.12 3b8h h LEU 284 N 0.37 0.55 -0.69 3.04 3.38 -1.06 0.18 115.31 121.08 3b8h h LEU 284 Ca -0.07 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3b8h h LEU 284 Cb 1.48 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.04 3b8h h LEU 284 CO 0.16 0.57 0.43 -0.26 0.09 0.00 0.00 178.44 179.43 3b8h h PHE 285 N 0.49 0.81 -0.06 1.13 0.04 -1.32 -0.95 116.94 117.08 3b8h h PHE 285 Ca 0.13 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 3b8h h PHE 285 Cb 0.19 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.08 3b8h h PHE 285 CO -0.00 0.47 -0.25 1.15 -0.60 0.00 0.00 178.31 179.08 3b8h h THR 286 N 0.85 1.44 -0.56 -1.55 2.02 -1.14 -2.17 112.91 111.81 3b8h h THR 286 Ca 0.27 -1.68 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 3b8h h THR 286 Cb 0.01 2.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 3b8h h THR 286 CO -0.10 0.47 0.26 0.00 0.37 0.00 0.00 175.52 176.52 3b8h h ALA 287 N 0.41 0.72 0.04 6.16 0.00 -0.58 -2.29 119.26 123.73 3b8h h ALA 287 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3b8h h ALA 287 Cb 0.90 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3b8h h ALA 287 CO 0.05 0.30 -0.02 0.82 0.00 0.00 0.00 179.25 180.40 3b8h h ILE 288 N 0.76 1.25 0.00 0.00 2.04 -1.26 -1.95 117.51 118.35 3b8h h ILE 288 Ca 0.19 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.40 3b8h h ILE 288 Cb 0.13 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 3b8h h ILE 288 CO -0.02 0.38 0.00 0.23 0.00 0.00 0.00 178.15 178.74 3b8h n MET 289 N -4.76 0.18 -0.54 2.37 2.81 -0.81 -1.12 117.12 115.25 3b8h n MET 289 Ca -0.08 0.43 0.10 0.00 -1.81 0.00 0.00 57.70 56.34 3b8h n MET 289 Cb 0.33 -1.85 0.34 0.00 -0.71 0.00 0.00 33.22 31.32 3b8h n MET 289 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3b8h n ASN 290 N -2.19 4.48 -3.71 7.83 3.02 -0.86 -4.96 115.26 118.87 3b8h n ASN 290 Ca 0.02 -2.36 -0.28 0.00 -0.03 0.00 0.00 54.58 51.93 3b8h n ASN 290 Cb 0.21 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 3b8h n ASN 290 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3b8h n PHE 291 N 1.13 -1.69 -2.41 3.10 3.72 -0.27 -4.82 117.46 116.21 3b8h n PHE 291 Ca 0.25 0.55 -0.43 0.00 -0.05 0.00 0.00 57.45 57.76 3b8h n PHE 291 Cb 0.81 -2.53 0.00 0.00 -0.94 0.00 0.00 39.48 36.82 3b8h n PHE 291 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3b8h n LYS 292 N -3.83 3.18 0.31 -1.08 5.02 -0.74 -4.82 118.16 116.20 3b8h n LYS 292 Ca 0.04 -3.23 0.14 0.00 -2.02 0.00 0.00 58.31 53.24 3b8h n LYS 292 Cb 0.51 -3.33 0.76 0.00 -0.02 0.00 0.00 35.03 32.95 3b8h n LYS 292 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3b8h h LYS 293 N 6.97 0.00 0.00 1.97 2.10 -1.88 -0.12 116.57 125.61 3b8h h LYS 293 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 3b8h h LYS 293 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 3b8h h LYS 293 CO 1.54 0.00 -1.22 -0.25 -2.00 0.00 0.00 179.45 177.53 3b8h n ASP 294 N -2.76 0.56 0.01 7.07 8.00 -1.26 -4.24 116.55 123.93 3b8h n ASP 294 Ca -0.02 0.02 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 3b8h n ASP 294 Cb 0.35 0.92 -0.14 0.00 -0.02 0.00 0.00 41.12 42.24 3b8h n ASP 294 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3b8h h GLU 295 N 0.00 0.26 -0.53 -1.24 5.08 -1.40 -3.39 114.58 113.36 3b8h h GLU 295 Ca 0.00 -0.44 0.11 0.00 -1.00 0.00 0.00 59.36 58.03 3b8h h GLU 295 Cb 0.88 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 30.19 3b8h h GLU 295 CO 0.00 1.21 -0.17 0.82 -1.00 0.00 0.00 179.01 179.87 3b8h h ILE 296 N -0.08 0.41 -0.18 3.13 2.04 -1.66 0.72 117.51 121.89 3b8h h ILE 296 Ca -0.39 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3b8h h ILE 296 Cb 1.94 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 3b8h h ILE 296 CO 0.07 0.00 0.03 -0.65 0.00 0.00 0.00 178.15 177.59 3b8h h PRO 297 N -0.04 0.09 -0.75 2.37 0.11 -1.78 0.15 132.00 132.16 3b8h h PRO 297 Ca 0.25 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.40 3b8h h PRO 297 Cb 0.43 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 3b8h h PRO 297 CO -0.57 0.06 0.46 0.28 -0.21 0.00 0.00 178.00 178.03 3b8h h VAL 298 N 0.10 1.07 -0.31 3.15 2.07 -1.55 -1.96 116.25 118.82 3b8h h VAL 298 Ca 0.08 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3b8h h VAL 298 Cb 0.08 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3b8h h VAL 298 CO -0.12 0.16 -0.32 0.25 0.02 0.00 0.00 177.57 177.57 3b8h h LEU 299 N 0.88 0.69 -0.19 2.57 5.85 -0.41 -2.74 115.31 121.97 3b8h h LEU 299 Ca 0.31 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3b8h h LEU 299 Cb 0.07 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3b8h h LEU 299 CO -0.13 0.96 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.71 3b8h h LEU 300 N 0.57 0.46 -0.84 2.25 4.07 -0.30 -3.12 115.31 118.40 3b8h h LEU 300 Ca 0.06 -0.45 -0.07 0.00 0.08 0.00 0.00 57.88 57.50 3b8h h LEU 300 Cb 0.82 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 3b8h h LEU 300 CO 0.07 0.81 0.09 -0.08 -1.08 0.00 0.00 178.44 178.25 3b8h h GLU 301 N 0.11 0.95 -0.68 1.13 4.81 -1.40 0.17 114.58 119.67 3b8h h GLU 301 Ca 0.04 -0.24 0.13 0.00 -0.13 0.00 0.00 59.36 59.16 3b8h h GLU 301 Cb 0.66 -0.12 -0.13 0.00 0.63 0.00 0.00 28.75 29.80 3b8h h GLU 301 CO 0.04 0.89 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.77 3b8h h LYS 302 N 0.90 -0.04 -0.13 1.92 3.64 -1.45 0.22 116.57 121.63 3b8h h LYS 302 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3b8h h LYS 302 Cb 0.41 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3b8h h LYS 302 CO 0.01 -0.03 0.00 1.28 -2.27 0.00 0.00 179.45 178.44 3b8h n LEU 303 N -5.46 1.83 -3.48 5.20 4.77 -1.07 -4.95 117.00 113.84 3b8h n LEU 303 Ca 0.08 -0.71 -0.19 0.00 -0.03 0.00 0.00 56.01 55.16 3b8h n LEU 303 Cb 0.36 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 3b8h n LEU 303 CO 0.01 0.36 0.03 1.21 -1.33 0.00 0.00 177.39 177.67 3b8h n GLU 304 N 0.43 -4.92 -3.54 3.23 2.13 0.77 -4.97 120.64 113.77 3b8h n GLU 304 Ca 0.17 0.77 -0.41 0.00 0.66 0.00 0.00 57.16 58.35 3b8h n GLU 304 Cb 0.38 -5.57 -0.07 0.00 0.27 0.00 0.00 31.44 26.44 3b8h n GLU 304 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3b8h s ILE 305 N -3.46 4.38 -0.19 6.31 1.01 0.45 -5.00 121.20 124.70 3b8h s ILE 305 Ca 0.12 -2.11 -0.16 0.00 0.00 0.00 0.00 60.65 58.51 3b8h s ILE 305 Cb -0.02 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3b8h s ILE 305 CO 0.76 -0.84 0.41 0.54 0.00 0.00 0.00 174.94 175.82 3b8h s VAL 306 N 0.91 5.19 0.15 2.92 0.11 -1.26 -4.60 120.40 123.82 3b8h s VAL 306 Ca 0.10 0.75 -0.05 0.00 -2.93 0.00 0.00 61.98 59.85 3b8h s VAL 306 Cb -0.23 -3.75 -0.06 0.00 -1.53 0.00 0.00 36.38 30.82 3b8h s VAL 306 CO -0.02 0.26 0.38 -0.76 -3.33 0.00 0.00 175.10 171.62 3b8h s LEU 307 N 1.25 4.26 -0.09 2.54 1.43 -1.26 -5.10 118.68 121.70 3b8h s LEU 307 Ca 0.20 0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 53.88 3b8h s LEU 307 Cb -0.15 -3.32 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 3b8h s LEU 307 CO 0.08 0.05 -0.01 -0.54 0.23 0.00 0.00 176.35 176.16 3b8h s LYS 308 N -2.67 3.05 0.00 1.70 1.02 -1.26 -4.83 119.74 116.75 3b8h s LYS 308 Ca 0.41 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.98 3b8h s LYS 308 Cb -0.12 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3b8h s LYS 308 CO 0.25 0.65 0.00 0.41 -0.92 0.00 0.00 175.35 175.73 3b8h n GLY 309 N 2.30 0.06 0.37 -3.33 0.00 -1.26 0.18 105.19 103.51 3b8h n GLY 309 Ca -0.18 0.03 0.11 0.00 0.00 0.00 0.00 46.02 45.99 3b8h n GLY 309 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3b8h h ASP 310 N 0.00 0.70 0.45 1.61 3.32 -2.04 -1.50 116.42 118.96 3b8h h ASP 310 Ca 0.00 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3b8h h ASP 310 Cb 0.00 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3b8h h ASP 310 CO 0.00 0.35 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.35 3b8h h GLU 311 N 0.74 0.00 0.00 3.56 5.08 -0.64 -2.96 114.58 120.35 3b8h h GLU 311 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 3b8h h GLU 311 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3b8h h GLU 311 CO -0.22 0.19 0.00 1.63 -1.00 0.00 0.00 179.01 179.60 3b8h n LYS 312 N -3.72 0.31 -0.01 2.33 5.02 -0.57 -2.70 118.16 118.83 3b8h n LYS 312 Ca -0.02 0.10 0.06 0.00 -2.02 0.00 0.00 58.31 56.43 3b8h n LYS 312 Cb 0.30 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.72 3b8h n LYS 312 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3b8h n ASP 313 N -1.20 2.36 -4.52 4.39 -0.08 -1.12 -5.04 116.55 111.35 3b8h n ASP 313 Ca 0.09 -0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.07 3b8h n ASP 313 Cb 0.10 1.52 0.22 0.00 2.34 0.00 0.00 41.12 45.30 3b8h n ASP 313 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3b8h n LEU 314 N -1.90 0.09 -3.88 -2.67 4.77 -1.10 -5.06 117.00 107.26 3b8h n LEU 314 Ca -0.02 0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 3b8h n LEU 314 Cb 0.30 -1.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.05 3b8h n LEU 314 CO 0.24 -2.93 0.43 -1.83 -1.33 0.00 0.00 177.39 171.97 3b8h s GLU 315 N -4.40 1.77 5.09 3.23 -1.05 -1.26 -4.70 118.70 117.38 3b8h s GLU 315 Ca 0.67 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 3b8h s GLU 315 Cb -0.24 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 3b8h s GLU 315 CO 0.63 -0.80 0.00 0.41 0.95 0.00 0.00 175.26 176.45 3b8h n GLY 316 N -0.45 2.06 0.34 -3.83 0.00 -1.26 -2.66 105.19 99.38 3b8h n GLY 316 Ca -0.04 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.48 3b8h n GLY 316 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b8h h LYS 317 N 0.00 0.88 -0.53 1.61 1.57 -1.97 -1.30 116.57 116.83 3b8h h LYS 317 Ca 0.00 -0.07 0.09 0.00 -1.87 0.00 0.00 60.65 58.80 3b8h h LYS 317 Cb 0.00 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.05 3b8h h LYS 317 CO 0.00 0.61 0.14 0.00 -0.57 0.00 0.00 179.45 179.64 3b8h h ALA 318 N 1.54 0.64 0.00 3.86 0.00 -1.93 0.11 119.26 123.49 3b8h h ALA 318 Ca 0.24 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3b8h h ALA 318 Cb -0.05 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3b8h h ALA 318 CO -0.05 -0.27 -0.00 1.25 0.00 0.00 0.00 179.25 180.18 3b8h h LEU 319 N 0.29 -0.00 -1.25 0.00 5.85 -1.28 -3.12 115.31 115.81 3b8h h LEU 319 Ca 0.27 -0.59 0.18 0.00 0.84 0.00 0.00 57.88 58.58 3b8h h LEU 319 Cb 0.35 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 3b8h h LEU 319 CO -0.32 0.59 0.60 0.25 -0.34 0.00 0.00 178.44 179.22 3b8h h LEU 320 N -0.59 0.64 -0.46 2.25 5.85 -0.95 0.10 115.31 122.15 3b8h h LEU 320 Ca -0.00 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3b8h h LEU 320 Cb 0.59 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3b8h h LEU 320 CO 0.00 0.28 0.04 0.50 -0.34 0.00 0.00 178.44 178.92 3b8h h LYS 321 N 0.65 0.78 -0.24 1.25 3.64 -0.80 -1.12 116.57 120.73 3b8h h LYS 321 Ca 0.50 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3b8h h LYS 321 Cb 0.90 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 3b8h h LYS 321 CO -0.26 0.82 -0.17 0.28 -2.27 0.00 0.00 179.45 177.85 3b8h h VAL 322 N 0.63 1.31 -0.08 2.00 2.07 -1.14 -1.66 116.25 119.39 3b8h h VAL 322 Ca 0.13 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.37 3b8h h VAL 322 Cb 0.44 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3b8h h VAL 322 CO 0.02 0.40 0.01 0.58 0.02 0.00 0.00 177.57 178.59 3b8h h VAL 323 N 0.24 0.95 -0.54 2.57 2.07 -0.99 -1.66 116.25 118.90 3b8h h VAL 323 Ca 0.05 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 3b8h h VAL 323 Cb 0.70 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3b8h h VAL 323 CO 0.05 0.01 -0.13 0.24 0.02 0.00 0.00 177.57 177.76 3b8h h MET 324 N 0.04 1.04 -0.80 1.57 2.86 -1.23 0.94 114.93 119.34 3b8h h MET 324 Ca 0.04 -0.40 0.01 0.00 -2.06 0.00 0.00 59.70 57.29 3b8h h MET 324 Cb 0.04 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3b8h h MET 324 CO -0.06 1.09 0.53 0.00 1.06 0.00 0.00 176.91 179.53 3b8h h ARG 325 N 0.92 1.05 0.00 1.72 3.08 -1.19 0.91 114.38 120.87 3b8h h ARG 325 Ca 0.14 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 3b8h h ARG 325 Cb 0.70 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3b8h h ARG 325 CO 0.05 0.70 -0.61 -0.22 -1.07 0.00 0.00 179.97 178.82 3b8h h LYS 326 N 1.08 0.00 0.02 0.04 3.64 -1.10 -2.95 116.57 117.30 3b8h h LYS 326 Ca 0.30 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.58 3b8h h LYS 326 Cb -0.12 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3b8h h LYS 326 CO -0.07 0.61 -0.40 0.35 -2.27 0.00 0.00 179.45 177.67 3b8h h PHE 327 N 0.00 0.37 -2.01 1.91 3.57 -0.31 -3.42 116.94 117.06 3b8h h PHE 327 Ca -0.01 -0.21 -0.53 0.00 3.53 0.00 0.00 57.97 60.75 3b8h h PHE 327 Cb 1.34 -0.04 -0.35 0.00 2.79 0.00 0.00 35.95 39.69 3b8h h PHE 327 CO 0.00 1.05 -0.96 1.28 -2.23 0.00 0.00 178.31 177.44 3b8h n LEU 328 N -4.39 -0.62 -4.60 0.59 4.77 0.27 -5.07 117.00 107.95 3b8h n LEU 328 Ca -0.10 -4.32 -0.53 0.00 -0.03 0.00 0.00 56.01 51.03 3b8h n LEU 328 Cb 0.59 0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 42.23 3b8h n LEU 328 CO 0.42 1.95 1.55 -2.65 -1.33 0.00 0.00 177.39 177.33 3b8h n PRO 329 N 2.28 1.36 -0.16 3.23 -0.02 -1.11 -1.35 135.00 139.23 3b8h n PRO 329 Ca 0.25 0.46 -0.02 0.00 -2.02 0.00 0.00 63.50 62.17 3b8h n PRO 329 Cb 0.51 -2.37 0.07 0.00 -0.02 0.00 0.00 33.50 31.69 3b8h n PRO 329 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b8h h ALA 330 N 9.67 0.51 -0.76 3.55 0.00 -1.63 -2.21 119.26 128.39 3b8h h ALA 330 Ca -0.39 0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.79 3b8h h ALA 330 Cb 1.31 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 3b8h h ALA 330 CO 0.98 -0.37 0.51 0.00 0.00 0.00 0.00 179.25 180.37 3b8h h ALA 331 N 1.44 2.03 -0.31 0.00 0.00 -1.85 -1.94 119.26 118.63 3b8h h ALA 331 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3b8h h ALA 331 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3b8h h ALA 331 CO -0.40 -0.23 -0.02 -0.44 0.00 0.00 0.00 179.25 178.15 3b8h h ASP 332 N 0.48 0.56 -0.65 0.00 3.45 -1.77 0.13 116.42 118.62 3b8h h ASP 332 Ca 0.37 -0.33 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 3b8h h ASP 332 Cb 0.76 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.35 3b8h h ASP 332 CO -0.13 0.75 0.36 0.00 -1.57 0.00 0.00 179.24 178.65 3b8h h ALA 333 N 0.82 1.37 -0.01 3.45 0.00 -1.38 -0.63 119.26 122.88 3b8h h ALA 333 Ca 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3b8h h ALA 333 Cb 0.48 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3b8h h ALA 333 CO 0.02 0.51 -0.13 -0.07 0.00 0.00 0.00 179.25 179.58 3b8h h LEU 334 N 0.93 0.14 -0.76 0.00 3.38 -1.28 -3.15 115.31 114.57 3b8h h LEU 334 Ca 0.24 -0.71 0.03 0.00 0.09 0.00 0.00 57.88 57.52 3b8h h LEU 334 Cb 0.03 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3b8h h LEU 334 CO -0.04 0.83 0.48 -0.07 0.09 0.00 0.00 178.44 179.74 3b8h h LEU 335 N -0.54 0.80 -0.36 1.67 3.38 -0.63 -0.90 115.31 118.73 3b8h h LEU 335 Ca -0.01 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3b8h h LEU 335 Cb 0.84 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 3b8h h LEU 335 CO 0.03 0.55 -0.12 -0.08 0.09 0.00 0.00 178.44 178.91 3b8h h GLU 336 N 0.94 -0.04 -0.50 1.13 4.81 -1.19 0.52 114.58 120.26 3b8h h GLU 336 Ca 0.31 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 3b8h h GLU 336 Cb 0.02 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3b8h h GLU 336 CO -0.11 -0.02 0.18 0.52 -0.73 0.00 0.00 179.01 178.85 3b8h h MET 337 N -0.04 0.75 -0.68 1.92 2.86 -1.41 -1.26 114.93 117.08 3b8h h MET 337 Ca 0.18 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3b8h h MET 337 Cb 0.30 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 3b8h h MET 337 CO -0.39 0.68 0.44 0.82 1.06 0.00 0.00 176.91 179.53 3b8h h ILE 338 N 0.67 1.18 0.01 -1.22 2.04 -0.45 -0.75 117.51 118.99 3b8h h ILE 338 Ca 0.16 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 3b8h h ILE 338 Cb 0.22 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3b8h h ILE 338 CO -0.01 0.18 -0.36 0.58 0.00 0.00 0.00 178.15 178.54 3b8h h VAL 339 N 0.92 1.53 0.00 1.67 2.07 -0.86 -2.80 116.25 118.78 3b8h h VAL 339 Ca 0.25 -2.04 -0.05 0.00 0.82 0.00 0.00 66.70 65.68 3b8h h VAL 339 Cb -0.09 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 3b8h h VAL 339 CO -0.05 0.57 -0.23 -0.07 0.02 0.00 0.00 177.57 177.80 3b8h h LEU 340 N -0.42 0.00 0.00 2.57 3.38 -1.20 -3.39 115.31 116.24 3b8h h LEU 340 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3b8h h LEU 340 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3b8h h LEU 340 CO 0.07 0.23 -0.82 1.41 0.09 0.00 0.00 178.44 179.43 3b8h n HIS 341 N -3.17 0.00 -2.66 1.13 8.25 -0.29 -4.57 115.22 113.91 3b8h n HIS 341 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 3b8h n HIS 341 Cb 0.61 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.67 3b8h n HIS 341 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3b8h s LEU 342 N -3.15 4.53 0.44 2.41 1.43 -1.05 -5.01 118.68 118.28 3b8h s LEU 342 Ca 0.00 1.94 -0.24 0.00 -1.03 0.00 0.00 54.13 54.79 3b8h s LEU 342 Cb 0.00 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.54 3b8h s LEU 342 CO 0.00 -0.07 1.24 -2.16 0.23 0.00 0.00 176.35 175.59 3b8h s PRO 343 N -0.43 3.81 0.69 1.29 0.04 -1.26 -4.83 135.00 134.32 3b8h s PRO 343 Ca 0.46 1.98 -0.11 0.00 0.04 0.00 0.00 61.00 63.38 3b8h s PRO 343 Cb -0.26 -2.57 0.01 0.00 0.04 0.00 0.00 34.50 31.72 3b8h s PRO 343 CO 0.32 -0.56 1.07 -1.54 0.04 0.00 0.00 177.00 176.33 3b8h s SER 344 N -1.04 5.46 0.28 6.66 1.04 -1.26 -4.51 113.70 120.33 3b8h s SER 344 Ca 0.61 1.06 0.01 0.00 0.48 0.00 0.00 55.95 58.11 3b8h s SER 344 Cb -0.34 -1.89 0.60 0.00 0.10 0.00 0.00 66.02 64.49 3b8h s SER 344 CO 0.42 -1.30 1.76 -0.65 0.98 0.00 0.00 173.24 174.45 3b8h h PRO 345 N -0.58 0.62 -0.02 4.02 0.11 -1.70 -1.32 132.00 133.12 3b8h h PRO 345 Ca -0.45 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3b8h h PRO 345 Cb 1.25 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3b8h h PRO 345 CO 0.63 0.41 -0.06 0.28 -0.21 0.00 0.00 178.00 179.05 3b8h h VAL 346 N 0.64 0.84 -0.62 3.15 2.07 -1.93 -1.47 116.25 118.92 3b8h h VAL 346 Ca 0.50 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.93 3b8h h VAL 346 Cb 0.75 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3b8h h VAL 346 CO -0.38 0.00 0.02 0.74 0.02 0.00 0.00 177.57 177.97 3b8h h THR 347 N -0.09 1.27 0.18 2.57 2.02 -1.75 -3.29 112.91 113.81 3b8h h THR 347 Ca 0.03 -1.13 -0.24 0.00 0.77 0.00 0.00 66.41 65.84 3b8h h THR 347 Cb 0.14 0.76 0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3b8h h THR 347 CO -0.08 0.42 -1.06 0.00 0.37 0.00 0.00 175.52 175.17 3b8h h ALA 348 N 1.02 -0.11 0.00 6.16 0.00 -1.20 -3.30 119.26 121.83 3b8h h ALA 348 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3b8h h ALA 348 Cb 0.54 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3b8h h ALA 348 CO 0.03 0.50 0.00 1.96 0.00 0.00 0.00 179.25 181.73 3b8h h GLN 349 N -0.20 0.00 0.00 0.00 4.20 -1.36 -1.34 115.11 116.41 3b8h h GLN 349 Ca -0.19 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 3b8h h GLN 349 Cb 1.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.60 3b8h h GLN 349 CO 0.19 0.00 -0.23 0.00 -0.67 0.00 0.00 178.83 178.12 3b8h h ALA 350 N 2.00 1.36 -0.00 3.87 0.00 -1.62 -2.22 119.26 122.65 3b8h h ALA 350 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3b8h h ALA 350 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3b8h h ALA 350 CO 0.00 0.29 -0.01 2.48 0.00 0.00 0.00 179.25 182.01 3b8h n TYR 351 N -3.89 0.00 -0.03 0.00 0.18 -0.58 -4.64 117.16 108.19 3b8h n TYR 351 Ca -0.02 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.80 3b8h n TYR 351 Cb 0.32 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.14 3b8h n TYR 351 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3b8h n ARG 352 N -0.04 0.77 0.08 -3.48 1.74 -0.76 -4.66 116.66 110.31 3b8h n ARG 352 Ca 0.01 -0.12 -0.13 0.00 -0.77 0.00 0.00 57.85 56.84 3b8h n ARG 352 Cb 0.04 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 29.98 3b8h n ARG 352 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3b8h h ALA 353 N 1.41 -0.57 -0.99 7.54 0.00 -1.65 -0.80 119.26 124.20 3b8h h ALA 353 Ca -0.15 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 54.95 3b8h h ALA 353 Cb 1.24 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 19.56 3b8h h ALA 353 CO 0.01 -0.89 0.63 0.93 0.00 0.00 0.00 179.25 179.93 3b8h h GLU 354 N -0.54 0.47 -0.02 0.00 5.08 -1.85 0.80 114.58 118.52 3b8h h GLU 354 Ca 0.05 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 3b8h h GLU 354 Cb 0.61 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3b8h h GLU 354 CO -0.26 0.31 -0.78 0.37 -1.00 0.00 0.00 179.01 177.65 3b8h h GLN 355 N 0.48 0.20 -0.01 2.33 4.15 -1.53 -3.23 115.11 117.50 3b8h h GLN 355 Ca 0.55 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.78 3b8h h GLN 355 Cb 1.26 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.00 3b8h h GLN 355 CO -0.27 0.88 -0.20 1.28 -1.93 0.00 0.00 178.83 178.59 3b8h n LEU 356 N -3.73 1.43 -4.34 -2.39 4.77 0.14 -4.72 117.00 108.15 3b8h n LEU 356 Ca -0.03 -0.45 -0.36 0.00 -0.03 0.00 0.00 56.01 55.15 3b8h n LEU 356 Cb 0.74 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.63 3b8h n LEU 356 CO 0.46 0.25 -0.35 -0.47 -1.33 0.00 0.00 177.39 175.96 3b8h s TYR 357 N -2.33 3.01 -0.61 -1.77 5.04 -0.41 -1.00 117.35 119.29 3b8h s TYR 357 Ca 0.28 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 54.07 3b8h s TYR 357 Cb 0.20 -2.15 0.03 0.00 0.35 0.00 0.00 41.96 40.39 3b8h s TYR 357 CO 0.46 -0.51 0.74 0.39 -1.34 0.00 0.00 175.55 175.28 3b8h n GLU 358 N 4.83 1.13 -0.82 4.97 -0.58 -1.01 -4.82 120.64 124.33 3b8h n GLU 358 Ca -0.17 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 3b8h n GLU 358 Cb 0.50 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 3b8h n GLU 358 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3b8h n GLY 359 N 0.18 5.19 3.68 0.62 0.00 -1.26 -4.84 105.19 108.75 3b8h n GLY 359 Ca 0.02 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 3b8h n GLY 359 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3b8h n PRO 360 N 0.00 1.87 0.01 1.61 -0.04 -1.26 -4.93 135.00 132.25 3b8h n PRO 360 Ca 0.00 0.66 -0.09 0.00 -0.04 0.00 0.00 63.50 64.03 3b8h n PRO 360 Cb 0.00 -2.30 0.06 0.00 -0.04 0.00 0.00 33.50 31.22 3b8h n PRO 360 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b8h h ALA 361 N 2.11 0.69 -0.52 0.55 0.00 -1.95 -3.04 119.26 117.10 3b8h h ALA 361 Ca -0.47 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3b8h h ALA 361 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3b8h h ALA 361 CO 0.60 0.70 0.00 -0.40 0.00 0.00 0.00 179.25 180.15 3b8h n ASP 362 N -3.94 3.80 -4.56 0.00 5.68 -1.26 -4.23 116.55 112.03 3b8h n ASP 362 Ca -0.03 -2.33 -0.33 0.00 -0.50 0.00 0.00 54.79 51.60 3b8h n ASP 362 Cb 0.62 -0.50 0.13 0.00 -1.14 0.00 0.00 41.12 40.23 3b8h n ASP 362 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3b8h n ASP 363 N 0.86 -0.58 0.23 -1.12 2.03 -1.15 -4.75 116.55 112.07 3b8h n ASP 363 Ca 0.20 0.44 0.06 0.00 0.52 0.00 0.00 54.79 56.02 3b8h n ASP 363 Cb 0.71 -1.36 0.53 0.00 -0.72 0.00 0.00 41.12 40.29 3b8h n ASP 363 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3b8h h ALA 364 N -1.40 1.58 0.13 -1.67 0.00 -1.93 -1.55 119.26 114.41 3b8h h ALA 364 Ca -0.44 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 54.00 3b8h h ALA 364 Cb 1.29 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3b8h h ALA 364 CO 0.40 0.24 -1.49 -0.91 0.00 0.00 0.00 179.25 177.49 3b8h h ASN 365 N 0.00 0.42 -0.93 0.00 4.21 -1.94 -2.89 115.58 114.45 3b8h h ASN 365 Ca -0.00 -0.87 0.01 0.00 1.21 0.00 0.00 56.30 56.65 3b8h h ASN 365 Cb 0.36 -0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 37.38 3b8h h ASN 365 CO 0.03 1.65 0.60 0.00 -1.29 0.00 0.00 177.43 178.42 3b8h h ILE 367 N 1.26 1.06 0.00 0.00 2.04 -1.41 -2.16 117.51 118.30 3b8h h ILE 367 Ca 0.34 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3b8h h ILE 367 Cb -0.12 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3b8h h ILE 367 CO -0.07 0.09 -0.05 0.00 0.00 0.00 0.00 178.15 178.12 3b8h h ALA 368 N 1.17 1.53 0.12 1.87 0.00 -1.11 -2.16 119.26 120.68 3b8h h ALA 368 Ca 0.16 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 3b8h h ALA 368 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3b8h h ALA 368 CO -0.07 0.06 -1.25 0.82 0.00 0.00 0.00 179.25 178.82 3b8h h ILE 369 N 0.00 1.49 -0.35 0.00 2.04 -0.63 0.65 117.51 120.71 3b8h h ILE 369 Ca -0.00 -3.06 -0.11 0.00 1.00 0.00 0.00 64.86 62.69 3b8h h ILE 369 Cb 0.12 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 3b8h h ILE 369 CO 0.01 0.89 -0.22 0.11 0.00 0.00 0.00 178.15 178.94 3b8h h LYS 370 N 0.07 0.69 -0.00 2.37 1.57 -0.80 -2.90 116.57 117.56 3b8h h LYS 370 Ca -0.14 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3b8h h LYS 370 Cb 1.97 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.24 3b8h h LYS 370 CO 0.20 0.86 -0.20 0.09 -0.57 0.00 0.00 179.45 179.82 3b8h n ASN 371 N -4.12 0.69 -3.93 0.86 3.02 -0.89 -3.39 115.26 107.50 3b8h n ASN 371 Ca 0.00 -0.64 -0.28 0.00 -0.03 0.00 0.00 54.58 53.63 3b8h n ASN 371 Cb 0.42 0.03 0.01 0.00 -0.61 0.00 0.00 39.78 39.62 3b8h n ASN 371 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b8h s ASP 373 N -3.85 6.52 0.00 0.00 2.15 0.17 -4.79 116.67 116.87 3b8h s ASP 373 Ca 0.34 1.13 0.30 0.00 0.43 0.00 0.00 52.55 54.75 3b8h s ASP 373 Cb -0.18 -2.54 1.53 0.00 -0.30 0.00 0.00 42.92 41.43 3b8h s ASP 373 CO 0.86 -1.23 2.05 -0.81 -0.17 0.00 0.00 175.17 175.87 3b8h n PRO 374 N 7.62 0.48 -0.03 4.34 -0.04 -1.26 -0.05 135.00 146.06 3b8h n PRO 374 Ca 0.16 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.64 3b8h n PRO 374 Cb 0.47 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 3b8h n PRO 374 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3b8h n LYS 375 N -1.26 0.66 -1.23 0.54 4.76 -1.26 -3.51 118.16 116.86 3b8h n LYS 375 Ca 0.15 -0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.24 3b8h n LYS 375 Cb 0.22 -1.58 0.22 0.00 -1.84 0.00 0.00 35.03 32.05 3b8h n LYS 375 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3b8h s ALA 376 N -3.06 0.92 0.41 7.82 0.00 -1.23 -4.90 121.76 121.72 3b8h s ALA 376 Ca -0.07 -0.91 -0.27 0.00 0.00 0.00 0.00 51.96 50.71 3b8h s ALA 376 Cb 0.10 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 20.23 3b8h s ALA 376 CO 0.86 -3.30 1.46 -0.51 0.00 0.00 0.00 175.76 174.27 3b8h s ASP 377 N -4.00 6.10 0.31 0.00 1.01 -1.26 -3.86 116.67 114.97 3b8h s ASP 377 Ca 0.70 3.00 -0.29 0.00 0.71 0.00 0.00 52.55 56.67 3b8h s ASP 377 Cb -0.10 -2.66 -0.12 0.00 1.01 0.00 0.00 42.92 41.05 3b8h s ASP 377 CO 0.56 -1.03 1.45 -0.11 0.21 0.00 0.00 175.17 176.24 3b8h n LEU 378 N 0.13 3.95 -3.46 1.23 7.94 -1.26 -4.19 117.00 121.35 3b8h n LEU 378 Ca 0.03 1.18 -0.28 0.00 -1.11 0.00 0.00 56.01 55.83 3b8h n LEU 378 Cb 0.40 -1.53 -0.11 0.00 0.53 0.00 0.00 43.42 42.71 3b8h n LEU 378 CO 0.61 -0.16 -0.30 -0.04 -1.11 0.00 0.00 177.39 176.39 3b8h s MET 379 N -1.18 0.84 -0.14 1.96 -1.94 -0.32 -3.37 119.30 115.15 3b8h s MET 379 Ca 0.60 -1.84 -0.05 0.00 -1.71 0.00 0.00 55.69 52.70 3b8h s MET 379 Cb -0.55 -1.50 -0.04 0.00 2.01 0.00 0.00 34.83 34.76 3b8h s MET 379 CO 0.56 -1.30 0.04 -1.17 -0.01 0.00 0.00 175.02 173.14 3b8h s LEU 380 N 0.43 3.75 -0.26 -0.03 0.20 -0.62 -0.87 118.68 121.29 3b8h s LEU 380 Ca 0.26 0.13 -0.08 0.00 0.69 0.00 0.00 54.13 55.14 3b8h s LEU 380 Cb -0.09 -1.91 -0.02 0.00 -0.43 0.00 0.00 46.19 43.74 3b8h s LEU 380 CO -0.10 0.28 0.08 -0.47 -0.29 0.00 0.00 176.35 175.84 3b8h s TYR 381 N -0.25 3.10 -0.47 5.38 5.04 0.60 -1.28 117.35 129.47 3b8h s TYR 381 Ca 0.07 -0.47 -0.18 0.00 -2.44 0.00 0.00 57.07 54.05 3b8h s TYR 381 Cb -0.12 -2.25 0.04 0.00 0.35 0.00 0.00 41.96 39.98 3b8h s TYR 381 CO 0.02 -0.38 0.54 0.08 -1.34 0.00 0.00 175.55 174.46 3b8h s VAL 382 N 1.61 4.99 -0.26 3.14 1.01 -0.96 -0.72 120.40 129.21 3b8h s VAL 382 Ca 0.06 -0.46 0.21 0.00 0.00 0.00 0.00 61.98 61.79 3b8h s VAL 382 Cb -0.15 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 32.10 3b8h s VAL 382 CO 0.04 -0.63 1.16 0.77 0.00 0.00 0.00 175.10 176.43 3b8h h SER 383 N 8.86 0.00 -4.55 3.32 4.64 -0.90 -3.04 113.55 121.88 3b8h h SER 383 Ca -0.27 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.25 3b8h h SER 383 Cb 1.10 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.03 3b8h h SER 383 CO 0.89 0.10 0.68 -1.59 -0.87 0.00 0.00 176.83 176.04 3b8h s LYS 384 N -3.26 0.55 -0.16 4.77 -2.85 -1.11 -4.76 119.74 112.93 3b8h s LYS 384 Ca 0.01 -0.22 -0.06 0.00 -1.00 0.00 0.00 55.97 54.70 3b8h s LYS 384 Cb 0.08 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 3b8h s LYS 384 CO 0.77 -0.24 0.06 -1.64 0.10 0.00 0.00 175.35 174.39 3b8h s MET 385 N -2.73 3.73 -0.16 1.78 -1.94 -1.23 -0.87 119.30 117.89 3b8h s MET 385 Ca 0.08 -0.34 -0.03 0.00 -1.71 0.00 0.00 55.69 53.69 3b8h s MET 385 Cb -0.01 -3.12 -0.02 0.00 2.01 0.00 0.00 34.83 33.69 3b8h s MET 385 CO -0.06 0.41 -0.05 0.08 -0.01 0.00 0.00 175.02 175.39 3b8h s VAL 386 N -0.02 3.72 0.33 -6.03 1.01 0.58 -4.90 120.40 115.09 3b8h s VAL 386 Ca 0.06 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 3b8h s VAL 386 Cb -0.12 -2.63 -0.11 0.00 0.00 0.00 0.00 36.38 33.52 3b8h s VAL 386 CO 0.01 0.49 1.47 -2.84 0.00 0.00 0.00 175.10 174.22 3b8h s PRO 387 N 0.49 4.18 0.41 2.72 0.02 -1.26 -0.50 135.00 141.06 3b8h s PRO 387 Ca -0.04 2.46 0.03 0.00 0.02 0.00 0.00 61.00 63.47 3b8h s PRO 387 Cb -0.15 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 3b8h s PRO 387 CO 0.03 -0.47 0.10 0.95 -0.33 0.00 0.00 177.00 177.28 3b8h s THR 388 N -0.73 0.79 -0.70 0.99 -4.23 -1.21 -2.47 115.64 108.08 3b8h s THR 388 Ca 0.55 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.29 3b8h s THR 388 Cb -0.45 -2.39 -0.13 0.00 1.34 0.00 0.00 72.50 70.87 3b8h s THR 388 CO 0.55 0.00 1.02 -1.54 -0.54 0.00 0.00 174.62 174.11 3b8h n SER 389 N -1.21 0.64 -4.57 3.99 3.41 -0.22 -4.70 113.62 110.97 3b8h n SER 389 Ca -0.07 -0.35 -0.32 0.00 -0.26 0.00 0.00 58.87 57.86 3b8h n SER 389 Cb 0.66 0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 65.39 3b8h n SER 389 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3b8h s ASP 390 N -3.67 5.59 0.96 4.04 2.15 -1.26 -4.83 116.67 119.64 3b8h s ASP 390 Ca 0.05 -1.59 0.00 0.00 0.43 0.00 0.00 52.55 51.44 3b8h s ASP 390 Cb 0.15 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3b8h s ASP 390 CO 0.81 -2.44 0.00 0.29 -0.17 0.00 0.00 175.17 173.66 3b8h n LYS 391 N 8.50 0.00 -0.18 4.34 5.02 -1.26 -3.07 118.16 131.51 3b8h n LYS 391 Ca 0.43 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.82 3b8h n LYS 391 Cb 0.47 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.75 3b8h n LYS 391 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b8h n GLY 392 N 0.00 1.07 3.75 0.72 0.00 -1.26 -4.77 105.19 104.70 3b8h n GLY 392 Ca 0.00 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 3b8h n GLY 392 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b8h s ARG 393 N -1.54 2.61 -0.02 1.61 1.81 -1.17 -4.88 118.95 117.37 3b8h s ARG 393 Ca 0.34 1.58 0.03 0.00 -1.72 0.00 0.00 55.73 55.96 3b8h s ARG 393 Cb 0.19 -1.91 -0.03 0.00 -0.45 0.00 0.00 34.95 32.75 3b8h s ARG 393 CO 0.26 -1.43 -0.08 -0.06 -0.68 0.00 0.00 175.30 173.31 3b8h s PHE 394 N -2.10 2.88 -0.20 -0.53 0.08 -1.26 -3.31 117.98 113.54 3b8h s PHE 394 Ca 0.71 -0.03 -0.11 0.00 0.12 0.00 0.00 56.93 57.62 3b8h s PHE 394 Cb -0.25 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 3b8h s PHE 394 CO 0.41 0.34 0.18 0.71 -0.10 0.00 0.00 175.22 176.77 3b8h s TYR 395 N -0.91 3.40 0.33 0.36 1.51 0.35 -4.10 117.35 118.28 3b8h s TYR 395 Ca 0.15 0.38 -0.29 0.00 -1.01 0.00 0.00 57.07 56.30 3b8h s TYR 395 Cb -0.11 -2.24 -0.10 0.00 -0.11 0.00 0.00 41.96 39.40 3b8h s TYR 395 CO 0.05 0.22 1.28 0.00 -1.11 0.00 0.00 175.55 175.98 3b8h s ALA 396 N 0.58 3.47 -0.04 3.71 0.00 -0.71 -0.31 121.76 128.46 3b8h s ALA 396 Ca 0.10 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.31 3b8h s ALA 396 Cb -0.12 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 3b8h s ALA 396 CO 0.01 -0.58 -0.16 0.12 0.00 0.00 0.00 175.76 175.15 3b8h s PHE 397 N -1.16 1.61 -0.03 0.00 5.36 -0.04 -0.57 117.98 123.16 3b8h s PHE 397 Ca 0.49 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 3b8h s PHE 397 Cb -0.38 -1.10 0.00 0.00 -0.34 0.00 0.00 43.02 41.20 3b8h s PHE 397 CO 0.51 -0.17 0.00 0.41 -1.46 0.00 0.00 175.22 174.51 3b8h n GLY 398 N 3.22 -0.81 3.06 13.12 0.00 -0.66 -0.27 105.19 122.85 3b8h n GLY 398 Ca -0.18 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 3b8h n GLY 398 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3b8h s ARG 399 N -0.01 0.21 -0.46 1.61 3.52 0.10 -1.06 118.95 122.86 3b8h s ARG 399 Ca 0.00 0.26 -0.25 0.00 -0.13 0.00 0.00 55.73 55.61 3b8h s ARG 399 Cb 0.00 0.10 0.03 0.00 -1.56 0.00 0.00 34.95 33.52 3b8h s ARG 399 CO 0.00 -0.03 0.90 0.08 -0.81 0.00 0.00 175.30 175.44 3b8h s VAL 400 N 0.12 4.50 -0.80 7.11 1.01 -0.66 -0.29 120.40 131.39 3b8h s VAL 400 Ca -0.00 0.68 0.24 0.00 0.00 0.00 0.00 61.98 62.90 3b8h s VAL 400 Cb -0.02 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 3b8h s VAL 400 CO 0.00 -0.83 1.25 0.49 0.00 0.00 0.00 175.10 176.01 3b8h n PHE 401 N 7.11 0.21 -3.58 5.22 3.72 -0.04 0.93 117.46 131.02 3b8h n PHE 401 Ca 0.05 0.06 -0.13 0.00 -0.05 0.00 0.00 57.45 57.39 3b8h n PHE 401 Cb 0.48 -0.39 -0.06 0.00 -0.94 0.00 0.00 39.48 38.58 3b8h n PHE 401 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3b8h s ALA 402 N -3.10 -1.88 0.00 4.37 0.00 -1.11 -4.27 121.76 115.78 3b8h s ALA 402 Ca 0.08 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3b8h s ALA 402 Cb 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.58 3b8h s ALA 402 CO 0.74 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.60 3b8h n GLY 403 N 1.29 -0.99 2.90 0.00 0.00 0.93 -1.18 105.19 108.14 3b8h n GLY 403 Ca -0.14 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.49 3b8h n GLY 403 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b8h s THR 404 N 0.00 0.56 0.02 2.61 2.01 -1.23 -1.04 115.64 118.57 3b8h s THR 404 Ca 0.00 -0.13 -0.22 0.00 0.31 0.00 0.00 61.69 61.65 3b8h s THR 404 Cb 0.00 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 3b8h s THR 404 CO 0.00 0.23 0.65 0.54 -0.69 0.00 0.00 174.62 175.35 3b8h s VAL 405 N 0.93 4.84 0.06 3.82 0.11 -0.81 -4.87 120.40 124.49 3b8h s VAL 405 Ca -0.11 1.37 0.05 0.00 -2.93 0.00 0.00 61.98 60.36 3b8h s VAL 405 Cb -0.14 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 30.69 3b8h s VAL 405 CO 0.00 0.41 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.49 3b8h s LYS 406 N -0.20 0.88 0.11 1.54 1.02 -1.26 -1.05 119.74 120.78 3b8h s LYS 406 Ca 0.33 -0.91 -0.31 0.00 0.02 0.00 0.00 55.97 55.10 3b8h s LYS 406 Cb -0.19 -0.91 -0.08 0.00 -0.52 0.00 0.00 37.83 36.13 3b8h s LYS 406 CO 0.19 0.21 1.49 -1.12 -0.92 0.00 0.00 175.35 175.20 3b8h s SER 407 N -1.57 6.72 0.00 2.83 0.01 0.09 -1.98 113.70 119.80 3b8h s SER 407 Ca -0.00 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.67 3b8h s SER 407 Cb -0.09 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.56 3b8h s SER 407 CO 0.02 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.53 3b8h n GLY 408 N 3.68 3.18 3.69 3.44 0.00 0.29 -5.01 105.19 114.47 3b8h n GLY 408 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 3b8h n GLY 408 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3b8h n GLN 409 N -2.00 2.41 -2.87 1.61 7.27 -0.84 -4.32 117.38 118.64 3b8h n GLN 409 Ca 0.00 0.87 -0.41 0.00 0.07 0.00 0.00 57.00 57.53 3b8h n GLN 409 Cb 0.00 -2.68 -0.04 0.00 2.41 0.00 0.00 30.24 29.93 3b8h n GLN 409 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3b8h s LYS 410 N 1.41 4.49 0.12 3.69 1.02 -1.26 -0.71 119.74 128.49 3b8h s LYS 410 Ca 0.79 1.15 0.04 0.00 0.02 0.00 0.00 55.97 57.97 3b8h s LYS 410 Cb -0.61 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.20 3b8h s LYS 410 CO 0.37 -0.02 -0.11 0.08 -0.92 0.00 0.00 175.35 174.76 3b8h s VAL 411 N 1.00 1.08 -0.57 3.17 1.01 0.59 -4.96 120.40 121.72 3b8h s VAL 411 Ca 0.44 -1.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.39 3b8h s VAL 411 Cb -0.19 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.67 3b8h s VAL 411 CO 0.22 -0.62 0.84 -0.13 0.00 0.00 0.00 175.10 175.42 3b8h s ARG 412 N -3.16 3.19 -0.71 2.72 0.52 0.13 -2.49 118.95 119.15 3b8h s ARG 412 Ca 0.10 -0.66 -0.27 0.00 -0.52 0.00 0.00 55.73 54.38 3b8h s ARG 412 Cb -0.01 -4.13 0.02 0.00 0.52 0.00 0.00 34.95 31.36 3b8h s ARG 412 CO 0.00 -1.50 1.36 0.42 0.02 0.00 0.00 175.30 175.61 3b8h s ILE 413 N 3.51 3.69 -0.46 1.52 1.01 0.46 -1.70 121.20 129.22 3b8h s ILE 413 Ca 0.23 0.41 -0.16 0.00 0.00 0.00 0.00 60.65 61.12 3b8h s ILE 413 Cb -0.16 -4.76 0.05 0.00 0.01 0.00 0.00 42.46 37.59 3b8h s ILE 413 CO 0.14 -1.69 0.43 -1.10 0.00 0.00 0.00 174.94 172.72 3b8h s GLN 414 N 5.87 3.02 0.09 2.79 -0.21 0.86 -2.23 119.66 129.85 3b8h s GLN 414 Ca 0.40 -1.10 -0.01 0.00 0.02 0.00 0.00 55.36 54.66 3b8h s GLN 414 Cb -0.09 -4.07 0.02 0.00 1.00 0.00 0.00 33.01 29.87 3b8h s GLN 414 CO 0.17 -0.99 0.10 0.41 -2.12 0.00 0.00 175.29 172.86 3b8h n GLY 415 N 5.17 -1.59 0.27 3.09 0.00 -0.76 -0.69 105.19 110.69 3b8h n GLY 415 Ca -0.10 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 3b8h n GLY 415 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3b8h h PRO 416 N 0.00 -0.48 0.00 1.61 0.11 -1.88 -2.87 132.00 128.49 3b8h h PRO 416 Ca -0.03 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3b8h h PRO 416 Cb 0.10 0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3b8h h PRO 416 CO 0.02 -0.32 0.00 0.09 -0.21 0.00 0.00 178.00 177.58 3b8h n ASN 417 N -5.36 0.00 -4.77 -2.05 3.02 -1.26 -4.89 115.26 99.96 3b8h n ASN 417 Ca -0.08 0.17 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 3b8h n ASN 417 Cb 0.27 -0.34 0.02 0.00 -0.61 0.00 0.00 39.78 39.11 3b8h n ASN 417 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3b8h s TYR 418 N -2.69 2.44 -0.09 3.10 5.04 -1.09 -4.85 117.35 119.22 3b8h s TYR 418 Ca 0.14 1.25 -0.05 0.00 -2.44 0.00 0.00 57.07 55.97 3b8h s TYR 418 Cb 0.11 -3.94 0.04 0.00 0.35 0.00 0.00 41.96 38.52 3b8h s TYR 418 CO 0.28 -3.00 0.21 0.08 -1.34 0.00 0.00 175.55 171.78 3b8h s VAL 419 N -1.19 -0.03 0.48 3.14 1.01 -1.26 -4.81 120.40 117.73 3b8h s VAL 419 Ca 0.61 0.13 0.34 0.00 0.00 0.00 0.00 61.98 63.06 3b8h s VAL 419 Cb -0.44 -0.32 0.54 0.00 0.00 0.00 0.00 36.38 36.16 3b8h s VAL 419 CO 0.57 0.05 1.69 -0.65 0.00 0.00 0.00 175.10 176.76 3b8h h PRO 420 N 6.94 0.09 0.00 2.72 0.11 -1.93 -2.84 132.00 137.09 3b8h h PRO 420 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3b8h h PRO 420 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3b8h h PRO 420 CO 0.39 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.65 3b8h n GLY 421 N -1.67 -2.88 3.46 -0.55 0.00 -1.26 -4.84 105.19 97.45 3b8h n GLY 421 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 3b8h n GLY 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b8h s LYS 422 N -0.82 -1.50 -0.32 1.61 3.01 -1.07 -4.96 119.74 115.69 3b8h s LYS 422 Ca 0.00 0.44 0.08 0.00 -1.01 0.00 0.00 55.97 55.47 3b8h s LYS 422 Cb 0.00 -1.52 0.54 0.00 -1.01 0.00 0.00 37.83 35.84 3b8h s LYS 422 CO 0.00 -4.00 1.56 1.63 0.51 0.00 0.00 175.35 175.04 3b8h n LYS 423 N -5.06 1.93 -2.63 1.68 5.02 -1.26 -4.60 118.16 113.25 3b8h n LYS 423 Ca 0.07 -3.16 -0.40 0.00 -2.02 0.00 0.00 58.31 52.80 3b8h n LYS 423 Cb 0.57 -1.89 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 3b8h n LYS 423 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3b8h s ASP 424 N -2.29 7.47 -1.69 4.39 1.01 -1.26 -3.75 116.67 120.55 3b8h s ASP 424 Ca 0.47 2.09 -0.02 0.00 0.71 0.00 0.00 52.55 55.80 3b8h s ASP 424 Cb 0.42 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.74 3b8h s ASP 424 CO 0.02 0.02 0.24 -0.67 0.21 0.00 0.00 175.17 174.99 3b8h n ASP 425 N 1.33 -6.00 -4.39 0.27 -0.08 -1.26 -4.06 116.55 102.36 3b8h n ASP 425 Ca -0.01 -0.13 -0.33 0.00 -1.51 0.00 0.00 54.79 52.81 3b8h n ASP 425 Cb 0.46 -4.93 -0.14 0.00 2.34 0.00 0.00 41.12 38.85 3b8h n ASP 425 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3b8h s LEU 426 N -6.24 2.62 -0.16 -2.67 2.96 -1.25 -1.82 118.68 112.12 3b8h s LEU 426 Ca 0.12 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 3b8h s LEU 426 Cb -0.05 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.14 3b8h s LEU 426 CO 0.15 0.24 0.06 -0.36 -1.32 0.00 0.00 176.35 175.12 3b8h s PHE 427 N -0.08 0.54 -1.09 5.38 0.08 -0.95 -4.99 117.98 116.87 3b8h s PHE 427 Ca -0.03 -0.48 -0.14 0.00 0.12 0.00 0.00 56.93 56.41 3b8h s PHE 427 Cb -0.14 -0.82 0.19 0.00 -0.57 0.00 0.00 43.02 41.69 3b8h s PHE 427 CO 0.04 -0.52 1.22 0.42 -0.10 0.00 0.00 175.22 176.28 3b8h s ILE 428 N 2.02 5.27 0.29 0.64 1.01 -1.26 -0.41 121.20 128.76 3b8h s ILE 428 Ca 0.01 -2.59 0.01 0.00 0.00 0.00 0.00 60.65 58.09 3b8h s ILE 428 Cb -0.16 -4.76 0.01 0.00 0.01 0.00 0.00 42.46 37.56 3b8h s ILE 428 CO -0.08 -1.43 0.12 0.29 0.00 0.00 0.00 174.94 173.84 3b8h n LYS 429 N 4.95 1.18 -4.92 2.79 4.76 -1.04 -4.90 118.16 120.97 3b8h n LYS 429 Ca 0.28 -1.96 -0.31 0.00 -2.87 0.00 0.00 58.31 53.46 3b8h n LYS 429 Cb 0.44 0.37 -0.14 0.00 -1.84 0.00 0.00 35.03 33.85 3b8h n LYS 429 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3b8h s ALA 430 N -2.46 2.43 -0.47 7.82 0.00 -1.26 -0.30 121.76 127.53 3b8h s ALA 430 Ca 0.09 -1.14 -0.28 0.00 0.00 0.00 0.00 51.96 50.62 3b8h s ALA 430 Cb -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.44 3b8h s ALA 430 CO 0.06 0.55 1.44 0.42 0.00 0.00 0.00 175.76 178.23 3b8h s ILE 431 N -0.78 3.83 0.12 0.00 -1.09 0.12 -4.90 121.20 118.50 3b8h s ILE 431 Ca 0.12 0.80 -0.21 0.00 -2.23 0.00 0.00 60.65 59.13 3b8h s ILE 431 Cb -0.10 -4.25 -0.05 0.00 -1.58 0.00 0.00 42.46 36.48 3b8h s ILE 431 CO 0.02 -0.89 1.70 -0.61 -1.23 0.00 0.00 174.94 173.93 3b8h h GLN 432 N 11.05 -0.06 -2.63 2.79 4.15 -1.73 0.84 115.11 129.53 3b8h h GLN 432 Ca -0.27 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.04 3b8h h GLN 432 Cb 1.10 0.01 -0.23 0.00 0.21 0.00 0.00 27.48 28.58 3b8h h GLN 432 CO 1.12 -0.04 -0.16 1.03 -1.93 0.00 0.00 178.83 178.85 3b8h s ARG 433 N -6.19 0.59 -0.19 1.69 0.52 -1.23 -4.23 118.95 109.91 3b8h s ARG 433 Ca -0.14 0.52 -0.08 0.00 -0.52 0.00 0.00 55.73 55.52 3b8h s ARG 433 Cb 0.10 0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.81 3b8h s ARG 433 CO 0.68 -0.09 0.07 0.08 0.02 0.00 0.00 175.30 176.06 3b8h s VAL 434 N -0.03 4.87 0.01 3.52 1.01 -1.26 -0.57 120.40 127.96 3b8h s VAL 434 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3b8h s VAL 434 Cb -0.03 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3b8h s VAL 434 CO 0.02 0.45 -0.03 0.68 0.00 0.00 0.00 175.10 176.22 3b8h s VAL 435 N 0.43 0.16 0.22 2.92 -7.23 -0.44 -0.35 120.40 116.11 3b8h s VAL 435 Ca 0.04 -0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 59.39 3b8h s VAL 435 Cb -0.12 -0.23 -0.08 0.00 0.56 0.00 0.00 36.38 36.51 3b8h s VAL 435 CO 0.00 -0.23 1.04 -0.76 -0.31 0.00 0.00 175.10 174.84 3b8h s LEU 436 N -0.79 4.55 -1.16 1.32 1.43 0.32 -0.74 118.68 123.61 3b8h s LEU 436 Ca -0.07 2.07 -0.07 0.00 -1.03 0.00 0.00 54.13 55.02 3b8h s LEU 436 Cb -0.05 -3.61 0.25 0.00 0.03 0.00 0.00 46.19 42.80 3b8h s LEU 436 CO -0.00 -0.08 1.53 0.23 0.23 0.00 0.00 176.35 178.26 3b8h n MET 437 N 1.85 3.96 -0.92 1.70 2.81 -1.26 -2.29 117.12 122.97 3b8h n MET 437 Ca 0.00 -4.18 -0.29 0.00 -1.81 0.00 0.00 57.70 51.43 3b8h n MET 437 Cb 0.46 -2.69 -0.03 0.00 -0.71 0.00 0.00 33.22 30.26 3b8h n MET 437 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3b8h n MET 438 N 2.74 2.16 0.00 0.03 0.00 -0.65 -4.52 117.12 116.88 3b8h n MET 438 Ca 0.31 -1.66 0.00 0.00 0.00 0.00 0.00 57.70 56.34 3b8h n MET 438 Cb 0.36 -2.62 0.00 0.00 0.00 0.00 0.00 33.22 30.96 3b8h n MET 438 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3b8h n GLY 439 N 3.92 1.29 0.69 3.03 0.00 -0.53 -2.54 105.19 111.05 3b8h n GLY 439 Ca 0.49 0.28 0.10 0.00 0.00 0.00 0.00 46.02 46.89 3b8h n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b8h n ARG 440 N 0.00 1.74 -4.44 1.61 1.74 -1.26 -3.49 116.66 112.56 3b8h n ARG 440 Ca 0.00 -1.44 -0.21 0.00 -0.77 0.00 0.00 57.85 55.43 3b8h n ARG 440 Cb 0.00 -1.41 -0.10 0.00 -1.02 0.00 0.00 32.46 29.93 3b8h n ARG 440 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3b8h s PHE 441 N -1.97 1.96 -0.05 -1.55 0.08 -1.05 -0.98 117.98 114.43 3b8h s PHE 441 Ca 0.22 -0.82 0.05 0.00 0.12 0.00 0.00 56.93 56.49 3b8h s PHE 441 Cb 0.17 -1.21 -0.01 0.00 -0.57 0.00 0.00 43.02 41.40 3b8h s PHE 441 CO 0.36 0.15 -0.22 0.08 -0.10 0.00 0.00 175.22 175.49 3b8h s VAL 442 N -3.15 1.79 -0.29 -0.44 1.01 -1.25 -1.63 120.40 116.44 3b8h s VAL 442 Ca 0.33 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3b8h s VAL 442 Cb 0.06 -1.52 0.09 0.00 0.00 0.00 0.00 36.38 35.02 3b8h s VAL 442 CO 0.13 0.50 0.07 -1.61 0.00 0.00 0.00 175.10 174.20 3b8h s GLU 443 N -0.07 0.84 0.32 2.72 0.41 -0.97 -4.84 118.70 117.11 3b8h s GLU 443 Ca -0.04 -1.04 -0.29 0.00 -0.41 0.00 0.00 54.97 53.19 3b8h s GLU 443 Cb -0.13 -2.14 -0.11 0.00 -1.78 0.00 0.00 34.13 29.97 3b8h s GLU 443 CO 0.03 -0.91 1.53 -2.14 -0.49 0.00 0.00 175.26 173.28 3b8h s PRO 444 N 1.58 4.14 0.05 0.39 0.02 -1.26 -0.52 135.00 139.39 3b8h s PRO 444 Ca 0.07 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3b8h s PRO 444 Cb -0.17 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 3b8h s PRO 444 CO -0.20 -0.56 -0.04 0.96 -0.33 0.00 0.00 177.00 176.83 3b8h s ILE 445 N -0.49 0.31 0.08 2.83 -4.36 0.53 -4.91 121.20 115.18 3b8h s ILE 445 Ca 0.58 -1.43 -0.35 0.00 -0.26 0.00 0.00 60.65 59.19 3b8h s ILE 445 Cb -0.46 -1.01 -0.18 0.00 1.25 0.00 0.00 42.46 42.06 3b8h s ILE 445 CO 0.54 -0.73 1.59 0.44 0.24 0.00 0.00 174.94 177.02 3b8h h ASP 446 N 3.80 -1.13 -1.83 4.36 3.32 -1.95 -3.38 116.42 119.61 3b8h h ASP 446 Ca -0.34 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 3b8h h ASP 446 Cb 1.18 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 41.06 3b8h h ASP 446 CO 0.54 -0.67 -0.01 -0.90 -1.72 0.00 0.00 179.24 176.48 3b8h n ASP 447 N -5.57 -0.06 -3.15 6.45 5.68 -1.26 -0.73 116.55 117.91 3b8h n ASP 447 Ca -0.13 -1.10 0.05 0.00 -0.50 0.00 0.00 54.79 53.10 3b8h n ASP 447 Cb 0.45 0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.54 3b8h n ASP 447 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3b8h s PRO 449 N 2.91 0.86 0.43 0.00 0.04 -1.26 -1.92 135.00 136.06 3b8h s PRO 449 Ca 0.10 0.91 -0.26 0.00 0.04 0.00 0.00 61.00 61.80 3b8h s PRO 449 Cb -0.12 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 3b8h s PRO 449 CO -0.17 -2.54 1.39 0.00 0.04 0.00 0.00 177.00 175.73 3b8h s ALA 450 N -2.82 3.28 0.00 8.56 0.00 -0.20 -3.54 121.76 127.04 3b8h s ALA 450 Ca 0.65 1.40 0.00 0.00 0.00 0.00 0.00 51.96 54.01 3b8h s ALA 450 Cb -0.20 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3b8h s ALA 450 CO 0.58 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3b8h n GLY 451 N 0.60 2.03 3.84 0.00 0.00 0.26 -4.90 105.19 107.03 3b8h n GLY 451 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3b8h n GLY 451 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3b8h s ASN 452 N -1.75 5.78 0.07 1.61 0.01 -1.23 -4.78 114.94 114.65 3b8h s ASN 452 Ca 0.00 -0.02 -0.20 0.00 -0.71 0.00 0.00 52.86 51.94 3b8h s ASN 452 Cb 0.00 -1.60 -0.07 0.00 0.41 0.00 0.00 41.25 40.00 3b8h s ASN 452 CO 0.00 0.08 0.58 -0.63 -1.51 0.00 0.00 177.10 175.62 3b8h s ILE 453 N -1.70 4.74 0.20 0.60 1.09 -1.26 -1.65 121.20 123.23 3b8h s ILE 453 Ca 0.32 1.23 -0.16 0.00 -1.10 0.00 0.00 60.65 60.94 3b8h s ILE 453 Cb -0.11 -3.91 0.02 0.00 -1.06 0.00 0.00 42.46 37.40 3b8h s ILE 453 CO 0.25 0.54 0.49 -0.51 -0.10 0.00 0.00 174.94 175.61 3b8h s ILE 454 N -1.03 0.03 0.22 2.92 1.10 -0.22 -4.85 121.20 119.36 3b8h s ILE 454 Ca 0.29 -0.98 0.11 0.00 -0.51 0.00 0.00 60.65 59.57 3b8h s ILE 454 Cb -0.19 -1.73 -0.05 0.00 0.15 0.00 0.00 42.46 40.64 3b8h s ILE 454 CO 0.19 -0.12 -0.18 -0.83 -2.11 0.00 0.00 174.94 171.88 3b8h s GLY 455 N -2.91 1.77 0.15 1.50 0.00 0.08 -1.65 107.32 106.25 3b8h s GLY 455 Ca 0.12 -1.69 0.07 0.00 0.00 0.00 0.00 44.72 43.22 3b8h s GLY 455 CO -0.00 -1.74 -0.15 1.08 0.00 0.00 0.00 173.10 172.29 3b8h s LEU 456 N -3.05 2.44 -0.07 0.66 1.43 0.27 -1.33 118.68 119.02 3b8h s LEU 456 Ca 0.25 -0.86 0.05 0.00 -1.03 0.00 0.00 54.13 52.54 3b8h s LEU 456 Cb -0.07 -0.64 -0.00 0.00 0.03 0.00 0.00 46.19 45.50 3b8h s LEU 456 CO 0.13 -0.12 -0.23 -0.69 0.23 0.00 0.00 176.35 175.67 3b8h s VAL 457 N -2.26 1.97 0.00 -1.59 1.01 0.27 -1.73 120.40 118.06 3b8h s VAL 457 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3b8h s VAL 457 Cb -0.04 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3b8h s VAL 457 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3b8h n GLY 458 N 3.25 0.64 0.00 4.51 0.00 -1.26 -2.24 105.19 110.08 3b8h n GLY 458 Ca -0.18 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3b8h n GLY 458 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3b8h n ILE 459 N -0.91 0.00 0.31 -0.61 5.41 -1.26 -4.69 119.36 117.61 3b8h n ILE 459 Ca 0.00 0.00 0.21 0.00 1.00 0.00 0.00 62.75 63.96 3b8h n ILE 459 Cb 0.38 0.50 1.13 0.00 -0.71 0.00 0.00 39.64 40.94 3b8h n ILE 459 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 3b8h h ASP 460 N 0.00 0.00 0.01 4.38 2.03 -1.79 0.18 116.42 121.23 3b8h h ASP 460 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3b8h h ASP 460 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3b8h h ASP 460 CO 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 179.24 178.17 3b8h n GLN 461 N -2.95 1.72 -0.01 4.15 0.00 -1.26 -4.14 117.38 114.88 3b8h n GLN 461 Ca -0.03 -1.14 -0.01 0.00 0.00 0.00 0.00 57.00 55.82 3b8h n GLN 461 Cb 0.07 -1.48 -0.02 0.00 0.00 0.00 0.00 30.24 28.81 3b8h n GLN 461 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3b8h n PHE 462 N 0.36 0.00 -4.87 2.61 3.72 0.44 -4.99 117.46 114.73 3b8h n PHE 462 Ca 0.17 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.24 3b8h n PHE 462 Cb 0.42 -0.14 -0.16 0.00 -0.94 0.00 0.00 39.48 38.66 3b8h n PHE 462 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3b8h s LEU 463 N -4.19 2.33 -0.04 4.37 1.43 -0.06 -4.91 118.68 117.62 3b8h s LEU 463 Ca -0.01 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.39 3b8h s LEU 463 Cb 0.01 -1.50 -0.14 0.00 0.03 0.00 0.00 46.19 44.59 3b8h s LEU 463 CO 0.11 0.13 0.88 0.25 0.23 0.00 0.00 176.35 177.95 3b8h h LEU 464 N 6.94 -0.29 0.00 1.79 5.85 -1.88 -3.40 115.31 124.32 3b8h h LEU 464 Ca -0.26 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3b8h h LEU 464 Cb 1.21 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3b8h h LEU 464 CO 0.53 0.20 -0.10 0.29 -0.34 0.00 0.00 178.44 179.02 3b8h n LYS 465 N -5.02 0.00 -4.36 1.25 5.02 -1.26 -4.77 118.16 109.02 3b8h n LYS 465 Ca -0.08 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.03 3b8h n LYS 465 Cb 0.25 -0.06 -0.10 0.00 -0.02 0.00 0.00 35.03 35.10 3b8h n LYS 465 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3b8h s THR 466 N -2.00 1.11 -3.15 -0.18 -4.23 -1.26 -3.47 115.64 102.46 3b8h s THR 466 Ca 0.00 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 3b8h s THR 466 Cb 0.00 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3b8h s THR 466 CO 0.00 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 3b8h n GLY 467 N -0.49 -2.09 3.15 3.99 0.00 -1.15 -4.59 105.19 104.01 3b8h n GLY 467 Ca -0.04 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 3b8h n GLY 467 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b8h s THR 468 N -2.18 1.78 -0.15 2.61 2.01 0.14 -2.25 115.64 117.59 3b8h s THR 468 Ca 0.00 -0.85 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 3b8h s THR 468 Cb 0.00 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 3b8h s THR 468 CO 0.00 0.50 0.27 -0.76 -0.69 0.00 0.00 174.62 173.94 3b8h s LEU 469 N 0.52 4.27 0.05 4.42 1.02 -0.40 -0.10 118.68 128.45 3b8h s LEU 469 Ca -0.16 0.51 -0.04 0.00 0.02 0.00 0.00 54.13 54.46 3b8h s LEU 469 Cb -0.17 -2.33 -0.02 0.00 0.02 0.00 0.00 46.19 43.68 3b8h s LEU 469 CO 0.06 0.15 0.05 -0.89 0.02 0.00 0.00 176.35 175.73 3b8h s THR 470 N 0.23 0.16 0.00 5.49 2.01 -0.69 -1.58 115.64 121.26 3b8h s THR 470 Ca 0.16 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.83 3b8h s THR 470 Cb -0.13 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.30 3b8h s THR 470 CO 0.04 -0.74 0.61 0.41 -0.69 0.00 0.00 174.62 174.25 3b8h n THR 471 N 0.55 0.31 -4.13 -0.82 -1.04 -1.22 0.19 114.28 108.12 3b8h n THR 471 Ca -0.17 -0.58 -0.34 0.00 -2.04 0.00 0.00 64.05 60.91 3b8h n THR 471 Cb 0.59 0.94 -0.14 0.00 -1.82 0.00 0.00 70.33 69.90 3b8h n THR 471 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3b8h s SER 472 N -0.31 4.13 -0.02 8.00 0.15 -1.26 -4.89 113.70 119.51 3b8h s SER 472 Ca 0.00 -0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.26 3b8h s SER 472 Cb 0.00 -1.69 0.04 0.00 -1.71 0.00 0.00 66.02 62.67 3b8h s SER 472 CO 0.00 0.03 0.78 -1.84 1.20 0.00 0.00 173.24 173.41 3b8h n GLU 473 N 4.46 1.15 0.00 5.44 0.28 -1.26 -2.27 120.64 128.43 3b8h n GLU 473 Ca -0.18 -0.17 0.00 0.00 -0.16 0.00 0.00 57.16 56.65 3b8h n GLU 473 Cb 0.51 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 32.05 3b8h n GLU 473 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3b8h n THR 474 N 0.20 0.45 -3.31 3.84 -2.24 -1.26 -4.96 114.28 106.99 3b8h n THR 474 Ca 0.02 -0.46 -0.38 0.00 -2.27 0.00 0.00 64.05 60.95 3b8h n THR 474 Cb 0.42 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 3b8h n THR 474 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b8h s ALA 475 N -0.45 3.54 0.63 6.98 0.00 -0.96 -5.00 121.76 126.50 3b8h s ALA 475 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.78 3b8h s ALA 475 Cb 0.00 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.50 3b8h s ALA 475 CO 0.00 0.20 0.98 -1.01 0.00 0.00 0.00 175.76 175.92 3b8h s HIS 476 N -0.19 3.30 0.96 0.00 3.76 -1.26 -4.69 115.29 117.17 3b8h s HIS 476 Ca 0.28 0.82 -0.11 0.00 -0.15 0.00 0.00 55.06 55.90 3b8h s HIS 476 Cb -0.17 -2.86 0.17 0.00 1.11 0.00 0.00 32.58 30.83 3b8h s HIS 476 CO 0.14 -0.95 1.11 -0.80 -0.85 0.00 0.00 174.74 173.40 3b8h s ASN 477 N -4.32 2.63 0.21 1.40 0.01 -1.26 -4.82 114.94 108.80 3b8h s ASN 477 Ca 0.55 1.98 -0.04 0.00 -0.71 0.00 0.00 52.86 54.64 3b8h s ASN 477 Cb -0.11 -2.49 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 3b8h s ASN 477 CO 0.48 -3.25 0.46 -0.04 -1.51 0.00 0.00 177.10 173.24 3b8h s MET 478 N -4.64 3.62 -0.35 -0.60 -1.94 -1.26 -2.41 119.30 111.72 3b8h s MET 478 Ca 0.66 -0.07 -0.14 0.00 -1.71 0.00 0.00 55.69 54.43 3b8h s MET 478 Cb -0.23 -2.75 -0.09 0.00 2.01 0.00 0.00 34.83 33.77 3b8h s MET 478 CO 0.59 0.35 1.04 1.17 -0.01 0.00 0.00 175.02 178.16 3b8h n LYS 479 N -0.45 0.00 -2.42 2.03 3.00 -0.17 -4.77 118.16 115.38 3b8h n LYS 479 Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.91 3b8h n LYS 479 Cb 0.53 -0.61 -0.03 0.00 0.00 0.00 0.00 35.03 34.92 3b8h n LYS 479 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3b8h s VAL 480 N 3.34 3.44 -0.36 3.15 -7.23 -1.26 -5.02 120.40 116.45 3b8h s VAL 480 Ca 0.54 1.19 -0.09 0.00 -1.81 0.00 0.00 61.98 61.81 3b8h s VAL 480 Cb -0.54 -3.66 0.04 0.00 0.56 0.00 0.00 36.38 32.78 3b8h s VAL 480 CO 0.22 0.10 0.16 -0.04 -0.31 0.00 0.00 175.10 175.23 3b8h s MET 481 N -2.26 2.71 0.05 4.82 1.00 -1.26 -5.06 119.30 119.30 3b8h s MET 481 Ca 0.56 -1.15 -0.30 0.00 0.00 0.00 0.00 55.69 54.79 3b8h s MET 481 Cb -0.27 -3.61 -0.08 0.00 0.00 0.00 0.00 34.83 30.86 3b8h s MET 481 CO 0.34 -0.70 1.72 0.15 0.00 0.00 0.00 175.02 176.53 3b8h s LYS 482 N 1.48 4.18 0.31 2.03 1.02 -1.26 -4.90 119.74 122.59 3b8h s LYS 482 Ca 0.00 2.38 0.03 0.00 0.02 0.00 0.00 55.97 58.41 3b8h s LYS 482 Cb -0.20 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 3b8h s LYS 482 CO 0.05 -0.80 0.16 -0.06 -0.92 0.00 0.00 175.35 173.77 3b8h s PHE 483 N 3.15 1.62 -0.27 3.18 0.08 -1.26 -4.89 117.98 119.59 3b8h s PHE 483 Ca 0.77 -1.36 -0.24 0.00 0.12 0.00 0.00 56.93 56.22 3b8h s PHE 483 Cb -0.40 -0.88 0.07 0.00 -0.57 0.00 0.00 43.02 41.24 3b8h s PHE 483 CO 0.34 -0.50 0.72 0.45 -0.10 0.00 0.00 175.22 176.13 3b8h s SER 484 N -3.39 -0.77 0.00 1.36 0.15 -1.26 -4.92 113.70 104.87 3b8h s SER 484 Ca 0.35 1.45 0.25 0.00 0.70 0.00 0.00 55.95 58.70 3b8h s SER 484 Cb 0.05 1.44 0.83 0.00 -1.71 0.00 0.00 66.02 66.63 3b8h s SER 484 CO 0.17 -0.25 1.61 0.55 1.20 0.00 0.00 173.24 176.53 3b8h n VAL 485 N 2.93 0.09 -1.95 4.45 3.14 -1.26 -4.90 118.33 120.83 3b8h n VAL 485 Ca -0.15 -0.33 -0.43 0.00 -2.96 0.00 0.00 64.34 60.47 3b8h n VAL 485 Cb 0.56 0.60 -0.03 0.00 -1.06 0.00 0.00 33.84 33.91 3b8h n VAL 485 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3b8h s SER 486 N -1.84 6.31 -1.27 6.55 1.04 -1.26 -4.90 113.70 118.32 3b8h s SER 486 Ca 0.35 1.95 -0.19 0.00 0.48 0.00 0.00 55.95 58.54 3b8h s SER 486 Cb 0.20 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.82 3b8h s SER 486 CO 0.31 -1.26 1.80 -2.65 0.98 0.00 0.00 173.24 172.42 3b8h n PRO 487 N 7.70 2.77 0.04 4.02 -0.02 -1.26 -4.45 135.00 143.80 3b8h n PRO 487 Ca 0.20 -3.05 0.14 0.00 -2.02 0.00 0.00 63.50 58.76 3b8h n PRO 487 Cb 0.44 -3.55 0.51 0.00 -0.02 0.00 0.00 33.50 30.88 3b8h n PRO 487 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3b8h n VAL 488 N 6.74 0.25 -4.21 -1.45 0.24 -0.88 -4.67 118.33 114.35 3b8h n VAL 488 Ca 0.48 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.34 62.49 3b8h n VAL 488 Cb 0.46 -0.51 -0.13 0.00 -1.47 0.00 0.00 33.84 32.19 3b8h n VAL 488 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3b8h s VAL 489 N -3.04 0.66 0.19 3.34 -7.23 -1.16 -0.44 120.40 112.71 3b8h s VAL 489 Ca 0.12 -0.67 -0.15 0.00 -1.81 0.00 0.00 61.98 59.47 3b8h s VAL 489 Cb 0.16 -0.62 0.01 0.00 0.56 0.00 0.00 36.38 36.50 3b8h s VAL 489 CO 0.57 -0.04 0.45 0.00 -0.31 0.00 0.00 175.10 175.77 3b8h s GLN 490 N -0.79 1.34 0.08 4.82 -2.07 0.14 0.27 119.66 123.45 3b8h s GLN 490 Ca -0.01 -0.99 -0.05 0.00 -1.82 0.00 0.00 55.36 52.49 3b8h s GLN 490 Cb -0.06 0.48 -0.02 0.00 -1.09 0.00 0.00 33.01 32.32 3b8h s GLN 490 CO 0.00 -0.55 0.10 0.14 -1.32 0.00 0.00 175.29 173.66 3b8h s VAL 491 N -3.91 0.16 -0.23 3.63 -7.23 0.03 -0.90 120.40 111.96 3b8h s VAL 491 Ca 0.13 -1.51 -0.11 0.00 -1.81 0.00 0.00 61.98 58.67 3b8h s VAL 491 Cb 0.00 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 3b8h s VAL 491 CO -0.01 -0.75 0.18 0.00 -0.31 0.00 0.00 175.10 174.22 3b8h s ALA 492 N -3.91 3.62 0.03 1.32 0.00 -1.26 -1.39 121.76 120.16 3b8h s ALA 492 Ca 0.08 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 3b8h s ALA 492 Cb 0.06 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 3b8h s ALA 492 CO -0.09 -0.13 0.14 0.08 0.00 0.00 0.00 175.76 175.76 3b8h s VAL 493 N 0.93 5.05 -0.29 0.00 1.01 0.17 -2.66 120.40 124.60 3b8h s VAL 493 Ca 0.09 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 3b8h s VAL 493 Cb -0.13 -3.38 0.13 0.00 0.00 0.00 0.00 36.38 33.00 3b8h s VAL 493 CO 0.04 0.25 0.81 -0.70 0.00 0.00 0.00 175.10 175.49 3b8h s GLU 494 N -2.11 0.49 0.35 2.72 2.12 -1.00 -4.16 118.70 117.11 3b8h s GLU 494 Ca 0.28 1.08 -0.28 0.00 0.36 0.00 0.00 54.97 56.41 3b8h s GLU 494 Cb -0.12 0.48 -0.10 0.00 0.26 0.00 0.00 34.13 34.65 3b8h s GLU 494 CO 0.20 -0.14 1.24 0.14 -0.54 0.00 0.00 175.26 176.16 3b8h s VAL 495 N 2.27 2.94 -0.06 3.70 -7.23 -1.26 0.15 120.40 120.90 3b8h s VAL 495 Ca -0.06 0.90 0.13 0.00 -1.81 0.00 0.00 61.98 61.14 3b8h s VAL 495 Cb -0.08 -3.55 0.01 0.00 0.56 0.00 0.00 36.38 33.32 3b8h s VAL 495 CO -0.18 0.18 1.43 0.11 -0.31 0.00 0.00 175.10 176.33 3b8h h LYS 496 N 3.22 0.00 -4.84 4.82 1.57 -1.76 -3.42 116.57 116.15 3b8h h LYS 496 Ca -0.49 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.62 3b8h h LYS 496 Cb 1.23 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.22 3b8h h LYS 496 CO 0.65 0.61 -0.71 -0.80 -0.57 0.00 0.00 179.45 178.62 3b8h s ASN 497 N -6.52 4.63 0.00 0.86 0.02 -1.26 -5.00 114.94 107.67 3b8h s ASN 497 Ca 0.03 -1.01 0.01 0.00 -1.02 0.00 0.00 52.86 50.87 3b8h s ASN 497 Cb 0.08 -1.71 0.07 0.00 0.02 0.00 0.00 41.25 39.72 3b8h s ASN 497 CO 0.76 -0.19 0.89 0.00 0.02 0.00 0.00 177.10 178.58 3b8h n ALA 498 N 4.67 1.23 0.10 0.60 0.00 -1.26 -1.02 120.51 124.83 3b8h n ALA 498 Ca -0.15 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.38 3b8h n ALA 498 Cb 0.46 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 3b8h n ALA 498 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3b8h h ASN 499 N 0.00 0.00 -0.00 0.00 4.21 -1.96 -3.30 115.58 114.52 3b8h h ASN 499 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3b8h h ASN 499 Cb 0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 3b8h h ASN 499 CO 0.00 0.08 -0.00 0.47 -1.29 0.00 0.00 177.43 176.69 3b8h n ASP 500 N -2.73 0.22 -0.26 5.81 8.00 -0.19 -4.31 116.55 123.09 3b8h n ASP 500 Ca -0.01 -1.07 -0.05 0.00 0.71 0.00 0.00 54.79 54.37 3b8h n ASP 500 Cb 0.59 -0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.70 3b8h n ASP 500 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3b8h h LEU 501 N 0.35 -1.32 -1.28 0.64 6.46 -1.71 0.12 115.31 118.57 3b8h h LEU 501 Ca 0.00 0.26 0.11 0.00 -0.12 0.00 0.00 57.88 58.13 3b8h h LEU 501 Cb 0.07 0.66 -0.06 0.00 -0.73 0.00 0.00 40.66 40.60 3b8h h LEU 501 CO 0.00 -0.30 0.55 1.55 -0.62 0.00 0.00 178.44 179.62 3b8h h PRO 502 N -0.12 0.75 -0.26 5.25 0.13 -1.90 -0.39 132.00 135.46 3b8h h PRO 502 Ca 0.26 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.29 3b8h h PRO 502 Cb 0.56 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 3b8h h PRO 502 CO -0.78 0.50 -0.05 0.87 -0.23 0.00 0.00 178.00 178.30 3b8h h LYS 503 N 0.77 0.40 0.01 0.86 1.57 -1.08 -1.51 116.57 117.59 3b8h h LYS 503 Ca 0.40 -0.09 -0.26 0.00 -1.87 0.00 0.00 60.65 58.84 3b8h h LYS 503 Cb 0.51 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.78 3b8h h LYS 503 CO -0.17 0.48 -1.03 1.25 -0.57 0.00 0.00 179.45 179.41 3b8h h LEU 504 N 0.39 0.80 -0.68 2.94 5.85 -0.58 -1.32 115.31 122.71 3b8h h LEU 504 Ca 0.08 -0.65 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 3b8h h LEU 504 Cb 0.34 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3b8h h LEU 504 CO 0.02 1.45 0.38 0.58 -0.34 0.00 0.00 178.44 180.52 3b8h h VAL 505 N 0.34 1.21 0.00 1.05 2.07 -0.76 0.51 116.25 120.68 3b8h h VAL 505 Ca -0.12 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 66.75 3b8h h VAL 505 Cb 1.68 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3b8h h VAL 505 CO 0.20 0.23 -0.66 -0.08 0.02 0.00 0.00 177.57 177.27 3b8h h GLU 506 N 0.93 0.00 -0.54 1.57 4.57 -1.36 -2.81 114.58 116.94 3b8h h GLU 506 Ca 0.24 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.35 3b8h h GLU 506 Cb 0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3b8h h GLU 506 CO -0.04 0.66 0.07 0.78 -1.18 0.00 0.00 179.01 179.30 3b8h h GLY 507 N 2.64 0.97 0.90 1.92 0.00 -0.43 -0.80 103.07 108.27 3b8h h GLY 507 Ca -0.01 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 3b8h h GLY 507 CO 0.09 0.61 -0.16 1.41 0.00 0.00 0.00 176.54 178.49 3b8h h LEU 508 N 0.79 0.62 -1.84 3.11 3.38 -0.96 0.28 115.31 120.69 3b8h h LEU 508 Ca 0.16 -0.42 0.12 0.00 0.09 0.00 0.00 57.88 57.83 3b8h h LEU 508 Cb 0.43 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3b8h h LEU 508 CO 0.01 0.90 0.35 0.50 0.09 0.00 0.00 178.44 180.30 3b8h h LYS 509 N 0.34 0.17 0.01 1.13 3.64 -1.39 0.05 116.57 120.51 3b8h h LYS 509 Ca 0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3b8h h LYS 509 Cb 0.68 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3b8h h LYS 509 CO 0.04 0.11 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.24 3b8h h ARG 510 N 0.17 -0.02 -0.69 1.90 2.43 -0.65 -3.30 114.38 114.23 3b8h h ARG 510 Ca 0.24 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.55 3b8h h ARG 510 Cb 0.72 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.18 3b8h h ARG 510 CO -0.04 0.73 0.18 1.25 -1.51 0.00 0.00 179.97 180.59 3b8h h LEU 511 N -0.96 0.06 -2.46 3.80 5.85 -0.01 -0.09 115.31 121.50 3b8h h LEU 511 Ca -0.00 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3b8h h LEU 511 Cb 0.76 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 3b8h h LEU 511 CO 0.00 0.01 -0.01 -1.28 -0.34 0.00 0.00 178.44 176.83 3b8h h SER 512 N 0.30 0.00 0.87 1.25 0.87 -1.12 -2.49 113.55 113.24 3b8h h SER 512 Ca 0.37 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.80 3b8h h SER 512 Cb 0.59 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 3b8h h SER 512 CO -0.45 0.01 -1.21 0.11 -0.53 0.00 0.00 176.83 174.76 3b8h h LYS 513 N 0.00 0.00 0.00 2.24 1.79 -1.09 -3.33 116.57 116.18 3b8h h LYS 513 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3b8h h LYS 513 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 3b8h h LYS 513 CO 0.00 0.29 0.00 -1.13 -1.08 0.00 0.00 179.45 177.53 3b8h n SER 514 N -2.92 0.00 -3.67 0.86 3.41 -0.94 -4.73 113.62 105.62 3b8h n SER 514 Ca -0.07 0.43 -0.10 0.00 -0.26 0.00 0.00 58.87 58.87 3b8h n SER 514 Cb 0.79 -0.48 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 3b8h n SER 514 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3b8h s ASP 515 N -2.95 -0.21 0.59 4.04 -1.08 -1.23 -4.73 116.67 111.10 3b8h s ASP 515 Ca 0.14 0.87 0.38 0.00 -0.52 0.00 0.00 52.55 53.41 3b8h s ASP 515 Cb 0.17 1.02 1.73 0.00 -1.46 0.00 0.00 42.92 44.39 3b8h s ASP 515 CO 0.47 -0.22 2.12 -0.65 0.52 0.00 0.00 175.17 177.41 3b8h h PRO 516 N 7.87 0.00 -0.57 4.34 0.11 -1.85 -2.98 132.00 138.92 3b8h h PRO 516 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3b8h h PRO 516 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3b8h h PRO 516 CO 0.18 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.97 3b8h s VAL 518 N -1.00 4.85 -0.07 0.00 1.01 -1.13 -4.42 120.40 119.63 3b8h s VAL 518 Ca 0.38 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.37 3b8h s VAL 518 Cb 0.20 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 3b8h s VAL 518 CO 0.26 0.58 -0.24 -0.22 0.00 0.00 0.00 175.10 175.48 3b8h s LEU 519 N -0.68 2.05 -0.14 3.92 2.96 -0.67 -4.81 118.68 121.31 3b8h s LEU 519 Ca 0.12 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3b8h s LEU 519 Cb -0.12 -1.35 0.04 0.00 0.50 0.00 0.00 46.19 45.26 3b8h s LEU 519 CO 0.02 0.20 -0.04 0.42 -1.32 0.00 0.00 176.35 175.63 3b8h s THR 520 N 0.08 0.94 0.26 3.68 -4.23 -1.26 -0.86 115.64 114.26 3b8h s THR 520 Ca -0.10 -0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 59.92 3b8h s THR 520 Cb -0.15 -1.11 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 3b8h s THR 520 CO 0.06 0.17 0.33 -0.72 -0.54 0.00 0.00 174.62 173.91 3b8h s TYR 521 N 1.72 1.00 -0.16 3.99 -0.85 -0.90 -4.99 117.35 117.16 3b8h s TYR 521 Ca 0.02 -1.22 -0.01 0.00 -0.52 0.00 0.00 57.07 55.34 3b8h s TYR 521 Cb -0.14 -0.26 -0.01 0.00 0.38 0.00 0.00 41.96 41.93 3b8h s TYR 521 CO -0.08 -0.89 -0.12 -1.64 -1.52 0.00 0.00 175.55 171.31 3b8h s MET 522 N -3.76 3.30 0.86 -3.49 -1.94 -1.26 -0.89 119.30 112.12 3b8h s MET 522 Ca 0.33 -0.70 -0.11 0.00 -1.71 0.00 0.00 55.69 53.50 3b8h s MET 522 Cb 0.03 -2.71 0.11 0.00 2.01 0.00 0.00 34.83 34.26 3b8h s MET 522 CO 0.15 0.03 1.10 -1.54 -0.01 0.00 0.00 175.02 174.75 3b8h s SER 523 N 0.82 3.68 0.23 3.03 1.04 -0.99 -4.86 113.70 116.64 3b8h s SER 523 Ca -0.04 1.71 -0.11 0.00 0.48 0.00 0.00 55.95 57.99 3b8h s SER 523 Cb -0.15 -2.37 0.32 0.00 0.10 0.00 0.00 66.02 63.92 3b8h s SER 523 CO 0.00 -2.54 1.62 -0.33 0.98 0.00 0.00 173.24 172.97 3b8h h GLU 524 N -1.48 0.03 0.00 4.02 5.08 -2.00 0.26 114.58 120.48 3b8h h GLU 524 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3b8h h GLU 524 Cb 1.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3b8h h GLU 524 CO 0.51 0.02 0.00 -1.13 -1.00 0.00 0.00 179.01 177.41 3b8h n SER 525 N -5.43 0.23 0.00 1.42 3.41 -1.26 -4.80 113.62 107.19 3b8h n SER 525 Ca 0.10 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 3b8h n SER 525 Cb 0.39 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3b8h n SER 525 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b8h n GLY 526 N -1.32 0.76 3.77 5.00 0.00 0.90 -5.07 105.19 109.22 3b8h n GLY 526 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3b8h n GLY 526 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b8h s GLU 527 N -0.84 3.51 -0.30 1.61 2.02 -1.25 -4.79 118.70 118.66 3b8h s GLU 527 Ca 0.00 1.81 -0.21 0.00 0.02 0.00 0.00 54.97 56.58 3b8h s GLU 527 Cb 0.00 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.97 3b8h s GLU 527 CO 0.00 -0.77 0.68 -1.01 0.02 0.00 0.00 175.26 174.18 3b8h s HIS 528 N -1.56 3.21 -0.12 1.61 3.76 -1.26 -2.36 115.29 118.58 3b8h s HIS 528 Ca 0.68 0.66 -0.00 0.00 -0.15 0.00 0.00 55.06 56.25 3b8h s HIS 528 Cb -0.29 -3.05 -0.02 0.00 1.11 0.00 0.00 32.58 30.33 3b8h s HIS 528 CO 0.35 -0.49 -0.10 0.42 -0.85 0.00 0.00 174.74 174.07 3b8h s ILE 529 N 2.70 3.40 -0.18 0.60 -1.09 -0.07 -0.66 121.20 125.90 3b8h s ILE 529 Ca 0.27 -0.55 -0.01 0.00 -2.23 0.00 0.00 60.65 58.13 3b8h s ILE 529 Cb -0.15 -2.43 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 3b8h s ILE 529 CO 0.12 0.54 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.54 3b8h s VAL 530 N 0.01 2.73 -0.04 2.92 1.01 -0.49 -2.11 120.40 124.43 3b8h s VAL 530 Ca -0.02 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.29 3b8h s VAL 530 Cb -0.14 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 3b8h s VAL 530 CO 0.04 0.50 -0.23 0.00 0.00 0.00 0.00 175.10 175.40 3b8h s ALA 531 N 1.06 1.98 0.23 5.51 0.00 -0.04 -0.79 121.76 129.71 3b8h s ALA 531 Ca -0.00 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3b8h s ALA 531 Cb -0.15 -0.58 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 3b8h s ALA 531 CO -0.03 0.41 0.04 0.41 0.00 0.00 0.00 175.76 176.58 3b8h n GLY 532 N 2.84 3.77 0.53 0.00 0.00 0.14 -1.67 105.19 110.80 3b8h n GLY 532 Ca -0.17 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 43.81 3b8h n GLY 532 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3b8h n THR 533 N -0.55 0.00 -3.62 2.61 -2.24 -1.26 -2.07 114.28 107.15 3b8h n THR 533 Ca -0.07 -0.27 -0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3b8h n THR 533 Cb 0.32 1.25 -0.01 0.00 -2.10 0.00 0.00 70.33 69.79 3b8h n THR 533 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3b8h s GLY 534 N -2.44 -0.37 0.13 3.38 0.00 -1.26 -4.78 107.32 101.98 3b8h s GLY 534 Ca 0.19 0.84 -0.24 0.00 0.00 0.00 0.00 44.72 45.52 3b8h s GLY 534 CO 0.55 0.20 1.64 -2.09 0.00 0.00 0.00 173.10 173.40 3b8h h GLU 535 N 2.00 -0.28 -0.11 2.90 4.81 -1.94 -1.50 114.58 120.46 3b8h h GLU 535 Ca -0.25 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 3b8h h GLU 535 Cb 1.20 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 3b8h h GLU 535 CO 0.27 -0.19 -0.02 1.25 -0.73 0.00 0.00 179.01 179.59 3b8h h LEU 536 N -0.29 0.21 -0.72 1.64 5.85 -1.97 -1.13 115.31 118.90 3b8h h LEU 536 Ca 0.10 -0.36 0.12 0.00 0.84 0.00 0.00 57.88 58.57 3b8h h LEU 536 Cb 0.44 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 3b8h h LEU 536 CO -0.29 0.53 0.31 -0.74 -0.34 0.00 0.00 178.44 177.91 3b8h h HIS 537 N -0.10 0.55 -0.01 1.25 2.76 -1.93 0.14 115.15 117.80 3b8h h HIS 537 Ca 0.03 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.13 3b8h h HIS 537 Cb 0.43 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3b8h h HIS 537 CO 0.05 0.13 -0.46 1.25 -1.30 0.00 0.00 177.93 177.60 3b8h h LEU 538 N 0.50 0.03 0.14 0.26 5.85 -1.19 -2.86 115.31 118.05 3b8h h LEU 538 Ca 0.38 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 3b8h h LEU 538 Cb 0.49 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3b8h h LEU 538 CO -0.34 0.49 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.11 3b8h h GLU 539 N 0.03 -0.18 0.00 1.25 4.57 0.54 -2.59 114.58 118.19 3b8h h GLU 539 Ca -0.00 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 3b8h h GLU 539 Cb 0.83 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 3b8h h GLU 539 CO 0.06 0.00 -0.27 -0.84 -1.18 0.00 0.00 179.01 176.78 3b8h h ILE 540 N -0.34 0.95 -0.41 2.32 3.07 -1.18 -2.55 117.51 119.37 3b8h h ILE 540 Ca -0.02 -1.03 -0.15 0.00 1.55 0.00 0.00 64.86 65.21 3b8h h ILE 540 Cb 0.27 1.60 -0.01 0.00 -0.27 0.00 0.00 36.82 38.41 3b8h h ILE 540 CO 0.03 0.27 -0.35 0.00 -1.05 0.00 0.00 178.15 177.05 3b8h h LEU 542 N 0.79 0.00 -0.07 0.00 3.38 -1.17 -0.96 115.31 117.28 3b8h h LEU 542 Ca 0.07 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.81 3b8h h LEU 542 Cb 0.94 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.71 3b8h h LEU 542 CO 0.09 0.44 -0.86 1.56 0.09 0.00 0.00 178.44 179.76 3b8h h GLN 543 N 0.00 0.71 -0.48 1.13 4.20 -1.31 -2.53 115.11 116.83 3b8h h GLN 543 Ca -0.00 -0.67 -0.06 0.00 0.06 0.00 0.00 58.65 57.98 3b8h h GLN 543 Cb 0.89 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 3b8h h GLN 543 CO 0.06 1.26 0.04 -0.44 -0.67 0.00 0.00 178.83 179.08 3b8h h ASP 544 N 0.39 0.72 -0.41 1.46 5.19 -1.03 -2.89 116.42 119.85 3b8h h ASP 544 Ca -0.09 -0.15 -0.15 0.00 -0.62 0.00 0.00 57.03 56.02 3b8h h ASP 544 Cb 1.51 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 3b8h h ASP 544 CO 0.17 0.76 -0.31 0.25 -3.12 0.00 0.00 179.24 176.99 3b8h h LEU 545 N 0.72 0.98 -0.32 1.55 5.85 -1.16 0.49 115.31 123.43 3b8h h LEU 545 Ca 0.15 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3b8h h LEU 545 Cb 0.38 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3b8h h LEU 545 CO 0.01 1.22 -0.05 1.21 -0.34 0.00 0.00 178.44 180.49 3b8h n GLU 546 N -4.11 1.00 0.00 1.25 2.13 -0.96 -0.93 120.64 119.03 3b8h n GLU 546 Ca -0.02 -0.32 0.00 0.00 0.66 0.00 0.00 57.16 57.49 3b8h n GLU 546 Cb 0.51 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.72 3b8h n GLU 546 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3b8h n HIS 547 N -0.72 0.00 0.00 4.31 8.25 -1.10 -3.80 115.22 122.16 3b8h n HIS 547 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 3b8h n HIS 547 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3b8h n HIS 547 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3b8h n ASP 548 N -0.85 0.00 -0.30 0.41 8.00 0.14 -4.50 116.55 119.45 3b8h n ASP 548 Ca 0.00 0.00 0.25 0.00 0.71 0.00 0.00 54.79 55.75 3b8h n ASP 548 Cb 0.00 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 41.67 3b8h n ASP 548 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 3b8h h HIS 549 N 0.00 0.48 0.00 1.24 3.86 -1.61 -3.29 115.15 115.84 3b8h h HIS 549 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3b8h h HIS 549 Cb 0.00 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.33 3b8h h HIS 549 CO 0.00 0.06 -0.97 0.00 0.86 0.00 0.00 177.93 177.88 3b8h n ALA 550 N -2.55 2.92 -0.95 2.45 0.00 -0.11 -3.60 120.51 118.68 3b8h n ALA 550 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3b8h n ALA 550 Cb 0.92 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.85 3b8h n ALA 550 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b8h n GLY 551 N 2.99 0.32 3.82 0.00 0.00 -0.92 -4.86 105.19 106.54 3b8h n GLY 551 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3b8h n GLY 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8h s VAL 552 N -1.75 5.09 -0.13 1.61 1.01 -1.25 -4.79 120.40 120.19 3b8h s VAL 552 Ca 0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 61.98 61.58 3b8h s VAL 552 Cb 0.00 -3.24 -0.13 0.00 0.00 0.00 0.00 36.38 33.01 3b8h s VAL 552 CO 0.00 0.53 1.84 -2.65 0.00 0.00 0.00 175.10 174.83 3b8h n PRO 553 N 1.75 1.95 -4.52 2.72 -0.02 -1.26 -4.74 135.00 130.88 3b8h n PRO 553 Ca -0.17 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.72 3b8h n PRO 553 Cb 0.54 -2.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 3b8h n PRO 553 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3b8h s LEU 554 N 3.88 2.68 -0.34 2.45 1.43 -1.26 -2.14 118.68 125.38 3b8h s LEU 554 Ca 0.94 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 53.46 3b8h s LEU 554 Cb -0.78 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 3b8h s LEU 554 CO 0.54 0.23 0.24 -0.75 0.23 0.00 0.00 176.35 176.85 3b8h s LYS 555 N -1.69 3.48 -0.14 1.70 2.20 0.39 -4.86 119.74 120.83 3b8h s LYS 555 Ca 0.16 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 3b8h s LYS 555 Cb -0.11 -3.81 -0.01 0.00 -1.51 0.00 0.00 37.83 32.40 3b8h s LYS 555 CO 0.07 -0.45 -0.15 0.42 -0.36 0.00 0.00 175.35 174.88 3b8h s ILE 556 N 1.72 2.74 0.62 5.43 1.01 -1.26 -2.36 121.20 129.11 3b8h s ILE 556 Ca 0.06 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.81 3b8h s ILE 556 Cb -0.17 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 3b8h s ILE 556 CO 0.11 0.52 1.05 -0.94 0.00 0.00 0.00 174.94 175.68 3b8h s SER 557 N 0.57 5.70 0.75 3.58 1.04 -1.09 -5.01 113.70 119.24 3b8h s SER 557 Ca -0.09 1.75 -0.15 0.00 0.48 0.00 0.00 55.95 57.93 3b8h s SER 557 Cb -0.16 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.45 3b8h s SER 557 CO 0.04 -1.22 0.87 -2.65 0.98 0.00 0.00 173.24 171.25 3b8h n PRO 558 N -2.34 0.37 -1.74 4.02 -0.02 -1.26 -4.54 135.00 129.50 3b8h n PRO 558 Ca 0.08 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 3b8h n PRO 558 Cb 0.53 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 3b8h n PRO 558 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3b8h n PRO 559 N -1.78 2.56 -4.91 0.52 -0.02 -1.26 -4.80 135.00 125.31 3b8h n PRO 559 Ca 0.12 0.91 -0.26 0.00 -2.02 0.00 0.00 63.50 62.25 3b8h n PRO 559 Cb 0.50 -2.65 -0.16 0.00 -0.02 0.00 0.00 33.50 31.18 3b8h n PRO 559 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3b8h s VAL 560 N -0.29 1.50 0.21 -1.45 1.01 -0.08 -4.97 120.40 116.32 3b8h s VAL 560 Ca 0.62 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 3b8h s VAL 560 Cb -0.52 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 3b8h s VAL 560 CO 0.52 0.42 0.82 -0.69 0.00 0.00 0.00 175.10 176.18 3b8h s VAL 561 N -0.33 4.32 -0.21 2.92 1.01 -1.26 -0.69 120.40 126.17 3b8h s VAL 561 Ca 0.04 1.72 -0.21 0.00 0.00 0.00 0.00 61.98 63.54 3b8h s VAL 561 Cb -0.08 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 3b8h s VAL 561 CO 0.00 0.42 0.65 0.00 0.00 0.00 0.00 175.10 176.17 3b8h s ALA 562 N -1.27 3.56 0.55 5.51 0.00 0.41 -4.93 121.76 125.59 3b8h s ALA 562 Ca 0.40 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.13 3b8h s ALA 562 Cb -0.22 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 19.93 3b8h s ALA 562 CO 0.26 -0.64 0.47 0.71 0.00 0.00 0.00 175.76 176.56 3b8h s TYR 563 N 2.11 1.62 0.01 0.00 2.02 -1.26 -4.32 117.35 117.53 3b8h s TYR 563 Ca 0.29 -0.81 0.04 0.00 -0.37 0.00 0.00 57.07 56.22 3b8h s TYR 563 Cb -0.16 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 3b8h s TYR 563 CO 0.10 -0.58 -0.13 1.03 -1.57 0.00 0.00 175.55 174.40 3b8h s ARG 564 N -4.34 0.98 -0.17 -0.62 1.81 -0.25 -4.12 118.95 112.24 3b8h s ARG 564 Ca 0.39 -0.57 -0.08 0.00 -1.72 0.00 0.00 55.73 53.75 3b8h s ARG 564 Cb -0.03 -0.96 -0.04 0.00 -0.45 0.00 0.00 34.95 33.46 3b8h s ARG 564 CO 0.24 0.25 0.10 -1.21 -0.68 0.00 0.00 175.30 174.01 3b8h s GLU 565 N -0.64 3.85 0.27 3.54 2.02 0.97 0.69 118.70 129.40 3b8h s GLU 565 Ca 0.03 -0.25 -0.03 0.00 0.02 0.00 0.00 54.97 54.74 3b8h s GLU 565 Cb -0.06 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 3b8h s GLU 565 CO 0.00 0.43 0.34 -0.08 0.02 0.00 0.00 175.26 175.98 3b8h s THR 566 N -0.06 0.00 0.25 3.63 -1.32 0.10 -0.82 115.64 117.42 3b8h s THR 566 Ca 0.08 -1.73 0.11 0.00 -1.21 0.00 0.00 61.69 58.94 3b8h s THR 566 Cb -0.12 -2.47 -0.05 0.00 -1.51 0.00 0.00 72.50 68.36 3b8h s THR 566 CO 0.00 0.00 -0.12 0.68 -2.21 0.00 0.00 174.62 172.97 3b8h s VAL 567 N -3.70 2.91 -0.11 5.08 -7.23 -1.26 -0.28 120.40 115.80 3b8h s VAL 567 Ca 0.33 -2.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 3b8h s VAL 567 Cb 0.02 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 3b8h s VAL 567 CO 0.16 -0.32 0.11 -0.62 -0.31 0.00 0.00 175.10 174.12 3b8h n GLU 568 N -0.53 5.34 -3.98 4.82 -0.58 -0.32 -4.56 120.64 120.83 3b8h n GLU 568 Ca -0.07 -0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.55 3b8h n GLU 568 Cb 0.59 -0.68 -0.02 0.00 -0.57 0.00 0.00 31.44 30.75 3b8h n GLU 568 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3b8h s SER 569 N -1.39 0.40 0.54 1.62 1.04 -0.91 -4.85 113.70 110.14 3b8h s SER 569 Ca 0.01 -1.24 -0.18 0.00 0.48 0.00 0.00 55.95 55.02 3b8h s SER 569 Cb 0.02 0.70 -0.06 0.00 0.10 0.00 0.00 66.02 66.78 3b8h s SER 569 CO 0.11 -1.38 1.04 -0.70 0.98 0.00 0.00 173.24 173.30 3b8h s GLU 570 N -3.08 3.57 0.20 4.02 2.12 -1.26 -4.23 118.70 120.05 3b8h s GLU 570 Ca 0.24 1.26 -0.32 0.00 0.36 0.00 0.00 54.97 56.50 3b8h s GLU 570 Cb -0.02 -2.07 -0.15 0.00 0.26 0.00 0.00 34.13 32.16 3b8h s GLU 570 CO 0.15 -0.61 1.29 0.43 -0.54 0.00 0.00 175.26 175.98 3b8h n SER 571 N -1.53 2.02 -0.32 -1.70 7.64 -0.47 -4.52 113.62 114.75 3b8h n SER 571 Ca 0.09 1.14 0.21 0.00 1.01 0.00 0.00 58.87 61.32 3b8h n SER 571 Cb 0.53 -1.31 0.49 0.00 -1.01 0.00 0.00 64.21 62.90 3b8h n SER 571 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3b8h h SER 572 N 3.85 0.48 -5.18 6.43 0.02 -1.31 -3.44 113.55 114.41 3b8h h SER 572 Ca -0.44 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 3b8h h SER 572 Cb 1.31 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.77 3b8h h SER 572 CO 0.73 0.11 -0.03 0.00 -1.14 0.00 0.00 176.83 176.50 3b8h s GLN 573 N -5.53 1.60 0.19 3.45 -2.07 -1.26 -5.13 119.66 110.91 3b8h s GLN 573 Ca -0.09 -1.18 -0.32 0.00 -1.82 0.00 0.00 55.36 51.95 3b8h s GLN 573 Cb 0.25 0.50 -0.11 0.00 -1.09 0.00 0.00 33.01 32.56 3b8h s GLN 573 CO 0.80 -0.68 1.67 0.99 -1.32 0.00 0.00 175.29 176.74 3b8h s THR 574 N -3.99 2.22 -0.08 3.63 2.01 -1.26 -4.94 115.64 113.22 3b8h s THR 574 Ca 0.20 0.16 -0.24 0.00 0.31 0.00 0.00 61.69 62.11 3b8h s THR 574 Cb -0.02 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 3b8h s THR 574 CO 0.08 0.01 0.75 0.00 -0.69 0.00 0.00 174.62 174.78 3b8h s ALA 575 N 1.16 3.36 -0.04 7.40 0.00 0.42 -4.93 121.76 129.13 3b8h s ALA 575 Ca 0.73 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.87 3b8h s ALA 575 Cb -0.48 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 3b8h s ALA 575 CO 0.32 -0.25 -0.15 -1.17 0.00 0.00 0.00 175.76 174.51 3b8h s LEU 576 N 1.14 1.89 0.01 0.00 2.96 -1.26 -0.73 118.68 122.68 3b8h s LEU 576 Ca 0.39 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.95 3b8h s LEU 576 Cb -0.18 -0.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.63 3b8h s LEU 576 CO 0.18 0.14 0.05 -0.55 -1.32 0.00 0.00 176.35 174.84 3b8h s SER 577 N 0.05 0.13 0.16 3.68 0.15 -1.00 -1.10 113.70 115.78 3b8h s SER 577 Ca -0.03 -0.33 0.11 0.00 0.70 0.00 0.00 55.95 56.39 3b8h s SER 577 Cb -0.11 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 3b8h s SER 577 CO 0.02 -0.31 -0.23 -0.75 1.20 0.00 0.00 173.24 173.18 3b8h s LYS 578 N -1.31 1.58 0.65 5.44 2.20 -1.26 -1.83 119.74 125.20 3b8h s LYS 578 Ca -0.14 -1.40 -0.13 0.00 -0.36 0.00 0.00 55.97 53.94 3b8h s LYS 578 Cb -0.08 -1.93 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 3b8h s LYS 578 CO 0.00 0.43 1.05 -1.54 -0.36 0.00 0.00 175.35 174.93 3b8h s SER 579 N -2.43 5.69 0.30 1.43 1.04 -0.30 -4.67 113.70 114.75 3b8h s SER 579 Ca 0.19 1.64 0.06 0.00 0.48 0.00 0.00 55.95 58.32 3b8h s SER 579 Cb -0.09 -2.50 0.79 0.00 0.10 0.00 0.00 66.02 64.32 3b8h s SER 579 CO 0.09 -1.23 1.72 -0.65 0.98 0.00 0.00 173.24 174.15 3b8h h PRO 580 N -0.24 0.52 -0.00 4.02 0.11 -1.90 0.15 132.00 134.65 3b8h h PRO 580 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3b8h h PRO 580 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3b8h h PRO 580 CO 0.58 0.34 -0.00 0.27 -0.21 0.00 0.00 178.00 178.98 3b8h n ASN 581 N -4.93 0.44 -0.15 -2.05 0.23 -1.26 -4.91 115.26 102.63 3b8h n ASN 581 Ca 0.24 -1.11 -0.02 0.00 -0.53 0.00 0.00 54.58 53.16 3b8h n ASN 581 Cb 0.67 -0.01 -0.01 0.00 -2.08 0.00 0.00 39.78 38.36 3b8h n ASN 581 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3b8h n LYS 582 N -0.67 -0.79 0.00 -3.83 4.76 0.52 -4.86 118.16 113.29 3b8h n LYS 582 Ca 0.22 0.35 0.09 0.00 -2.87 0.00 0.00 58.31 56.09 3b8h n LYS 582 Cb 0.19 -4.03 0.01 0.00 -1.84 0.00 0.00 35.03 29.36 3b8h n LYS 582 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3b8h n HIS 583 N -2.62 0.00 -4.18 2.13 8.25 -1.26 -4.90 115.22 112.64 3b8h n HIS 583 Ca -0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 3b8h n HIS 583 Cb 0.23 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.21 3b8h n HIS 583 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3b8h s ASN 584 N -1.94 1.31 -0.04 0.41 0.01 -1.26 -3.05 114.94 110.39 3b8h s ASN 584 Ca 0.15 -0.51 -0.04 0.00 -0.71 0.00 0.00 52.86 51.76 3b8h s ASN 584 Cb 0.14 -0.04 0.01 0.00 0.41 0.00 0.00 41.25 41.77 3b8h s ASN 584 CO 0.41 -0.08 0.11 -0.13 -1.51 0.00 0.00 177.10 175.90 3b8h s ARG 585 N -1.39 0.15 -0.13 -0.60 0.52 -0.35 -1.16 118.95 116.00 3b8h s ARG 585 Ca -0.03 0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.30 3b8h s ARG 585 Cb -0.09 0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.47 3b8h s ARG 585 CO 0.01 -0.02 -0.14 0.42 0.02 0.00 0.00 175.30 175.59 3b8h s ILE 586 N -0.03 1.49 -0.21 1.52 1.01 -0.76 -1.66 121.20 122.56 3b8h s ILE 586 Ca -0.01 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 3b8h s ILE 586 Cb -0.01 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 3b8h s ILE 586 CO 0.00 0.44 0.03 -0.31 0.00 0.00 0.00 174.94 175.11 3b8h s TYR 587 N 1.25 3.09 0.27 3.97 2.02 0.50 -2.37 117.35 126.08 3b8h s TYR 587 Ca -0.01 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.31 3b8h s TYR 587 Cb -0.14 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 3b8h s TYR 587 CO -0.06 -0.21 0.33 -0.48 -1.57 0.00 0.00 175.55 173.57 3b8h s LEU 588 N 1.09 1.01 -0.11 -1.29 0.05 0.09 -0.05 118.68 119.46 3b8h s LEU 588 Ca 0.03 -1.37 -0.09 0.00 0.05 0.00 0.00 54.13 52.75 3b8h s LEU 588 Cb -0.14 1.05 0.03 0.00 -2.05 0.00 0.00 46.19 45.08 3b8h s LEU 588 CO 0.02 -1.08 0.29 -0.75 -0.55 0.00 0.00 176.35 174.29 3b8h s LYS 589 N -3.70 0.32 0.00 1.48 2.20 -0.19 -0.44 119.74 119.41 3b8h s LYS 589 Ca 0.33 0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 56.36 3b8h s LYS 589 Cb 0.02 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 3b8h s LYS 589 CO 0.16 -0.07 0.19 0.00 -0.36 0.00 0.00 175.35 175.27 3b8h s ALA 590 N 0.41 3.96 -0.02 3.13 0.00 -1.26 -0.27 121.76 127.71 3b8h s ALA 590 Ca -0.02 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 3b8h s ALA 590 Cb -0.04 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.24 3b8h s ALA 590 CO -0.02 0.76 0.36 -1.83 0.00 0.00 0.00 175.76 175.03 3b8h s GLU 591 N -2.02 0.71 0.54 0.00 -1.05 0.59 -1.37 118.70 116.11 3b8h s GLU 591 Ca 0.28 -0.11 -0.21 0.00 -0.15 0.00 0.00 54.97 54.78 3b8h s GLU 591 Cb -0.13 0.32 -0.05 0.00 -0.44 0.00 0.00 34.13 33.83 3b8h s GLU 591 CO 0.20 -0.20 1.27 -1.25 0.95 0.00 0.00 175.26 176.23 3b8h s PRO 592 N -1.27 3.22 -0.12 -4.83 0.04 -1.26 -0.44 135.00 130.33 3b8h s PRO 592 Ca -0.13 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 3b8h s PRO 592 Cb -0.04 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3b8h s PRO 592 CO 0.05 -1.06 0.06 0.42 0.04 0.00 0.00 177.00 176.50 3b8h s ILE 593 N -1.43 4.80 0.36 0.56 1.01 -0.05 -4.71 121.20 121.74 3b8h s ILE 593 Ca 0.72 -0.05 -0.28 0.00 0.00 0.00 0.00 60.65 61.03 3b8h s ILE 593 Cb -0.35 -3.08 -0.11 0.00 0.01 0.00 0.00 42.46 38.93 3b8h s ILE 593 CO 0.41 0.57 1.46 0.47 0.00 0.00 0.00 174.94 177.85 3b8h n ASP 594 N 2.46 3.62 -0.30 3.58 8.00 -1.26 -4.79 116.55 127.85 3b8h n ASP 594 Ca -0.18 1.22 0.10 0.00 0.71 0.00 0.00 54.79 56.63 3b8h n ASP 594 Cb 0.54 -1.59 0.27 0.00 -0.02 0.00 0.00 41.12 40.31 3b8h n ASP 594 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3b8h h GLU 595 N 3.09 0.53 -0.53 -1.24 4.39 -1.98 0.51 114.58 119.35 3b8h h GLU 595 Ca -0.49 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.28 3b8h h GLU 595 Cb 1.25 -0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.68 3b8h h GLU 595 CO 0.65 0.35 -0.08 0.93 -1.16 0.00 0.00 179.01 179.71 3b8h h GLU 596 N 0.55 0.04 -0.44 2.33 5.08 -1.99 0.26 114.58 120.42 3b8h h GLU 596 Ca 0.51 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.80 3b8h h GLU 596 Cb 0.85 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 3b8h h GLU 596 CO -0.43 0.03 0.01 0.28 -1.00 0.00 0.00 179.01 177.90 3b8h h VAL 597 N 0.05 1.26 -0.70 3.13 2.07 -1.30 0.46 116.25 121.21 3b8h h VAL 597 Ca 0.26 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 3b8h h VAL 597 Cb 0.41 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3b8h h VAL 597 CO -0.50 0.35 0.36 0.28 0.02 0.00 0.00 177.57 178.08 3b8h h SER 598 N 0.61 0.88 -0.48 0.57 0.02 -0.65 -0.52 113.55 113.98 3b8h h SER 598 Ca 0.13 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 3b8h h SER 598 Cb 0.48 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3b8h h SER 598 CO 0.02 0.72 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.27 3b8h h LEU 599 N 0.98 0.91 -1.11 5.07 4.07 -0.11 -1.14 115.31 123.98 3b8h h LEU 599 Ca 0.25 -0.35 -0.05 0.00 0.08 0.00 0.00 57.88 57.81 3b8h h LEU 599 Cb 0.05 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 3b8h h LEU 599 CO -0.04 1.05 0.12 0.00 -1.08 0.00 0.00 178.44 178.50 3b8h h ALA 600 N 0.89 1.29 -0.18 1.53 0.00 -0.34 0.12 119.26 122.57 3b8h h ALA 600 Ca 0.12 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3b8h h ALA 600 Cb 0.64 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3b8h h ALA 600 CO 0.04 0.50 -0.26 0.82 0.00 0.00 0.00 179.25 180.35 3b8h h ILE 601 N 0.72 1.34 0.00 0.00 2.04 -0.97 -0.04 117.51 120.61 3b8h h ILE 601 Ca 0.16 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 3b8h h ILE 601 Cb 0.27 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3b8h h ILE 601 CO -0.00 0.45 -0.04 -0.33 0.00 0.00 0.00 178.15 178.22 3b8h h GLU 602 N 0.14 0.00 -0.53 2.37 5.08 -0.91 -2.85 114.58 117.88 3b8h h GLU 602 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3b8h h GLU 602 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3b8h h GLU 602 CO 0.06 0.04 0.00 0.09 -1.00 0.00 0.00 179.01 178.20 3b8h n ASN 603 N -3.19 3.73 0.00 1.42 3.02 0.00 -4.97 115.26 115.28 3b8h n ASN 603 Ca -0.00 -2.18 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 3b8h n ASN 603 Cb 0.27 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3b8h n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b8h n GLY 604 N 0.94 2.61 0.44 7.41 0.00 -0.98 -4.82 105.19 110.78 3b8h n GLY 604 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 3b8h n GLY 604 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3b8h h ILE 605 N 0.00 0.20 -3.61 -0.61 2.04 -1.30 -3.35 117.51 110.89 3b8h h ILE 605 Ca 0.00 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 65.25 3b8h h ILE 605 Cb 0.00 0.20 -0.11 0.00 -0.74 0.00 0.00 36.82 36.17 3b8h h ILE 605 CO 0.00 0.00 0.54 -0.63 0.00 0.00 0.00 178.15 178.06 3b8h s ILE 606 N -6.02 4.50 -0.12 -0.67 -1.09 -0.66 -4.98 121.20 112.15 3b8h s ILE 606 Ca -0.18 0.63 0.02 0.00 -2.23 0.00 0.00 60.65 58.89 3b8h s ILE 606 Cb 0.03 -4.42 -0.00 0.00 -1.58 0.00 0.00 42.46 36.48 3b8h s ILE 606 CO 0.61 -0.84 -0.19 0.21 -1.23 0.00 0.00 174.94 173.50 3b8h s ASN 607 N 2.30 3.45 0.42 3.58 3.84 -1.26 -4.29 114.94 122.98 3b8h s ASN 607 Ca 0.35 -0.48 0.11 0.00 0.21 0.00 0.00 52.86 53.04 3b8h s ASN 607 Cb -0.11 -1.50 0.89 0.00 -0.55 0.00 0.00 41.25 39.99 3b8h s ASN 607 CO 0.25 0.14 1.98 -0.65 -2.79 0.00 0.00 177.10 176.03 3b8h h PRO 608 N 6.86 0.21 -0.00 0.43 0.11 -1.93 -2.27 132.00 135.41 3b8h h PRO 608 Ca -0.24 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3b8h h PRO 608 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3b8h h PRO 608 CO 0.52 0.29 -0.17 0.54 -0.21 0.00 0.00 178.00 178.97 3b8h n ARG 609 N -4.35 0.58 -1.63 1.05 1.74 -1.26 -4.91 116.66 107.89 3b8h n ARG 609 Ca -0.01 -0.24 -0.31 0.00 -0.77 0.00 0.00 57.85 56.53 3b8h n ARG 609 Cb 0.21 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.21 3b8h n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3b8h s ASP 610 N -2.59 5.27 0.21 0.55 2.15 -0.86 -4.99 116.67 116.42 3b8h s ASP 610 Ca 0.25 1.48 -0.31 0.00 0.43 0.00 0.00 52.55 54.40 3b8h s ASP 610 Cb 0.19 -2.33 -0.10 0.00 -0.30 0.00 0.00 42.92 40.38 3b8h s ASP 610 CO 0.51 -1.50 1.52 -0.62 -0.17 0.00 0.00 175.17 174.91 3b8h s ASP 611 N -3.91 6.59 0.54 -0.34 2.15 -1.26 -4.89 116.67 115.54 3b8h s ASP 611 Ca 0.58 2.67 0.26 0.00 0.43 0.00 0.00 52.55 56.50 3b8h s ASP 611 Cb -0.13 -2.61 1.52 0.00 -0.30 0.00 0.00 42.92 41.40 3b8h s ASP 611 CO 0.54 -0.78 2.13 2.19 -0.17 0.00 0.00 175.17 179.08 3b8h h PHE 612 N 5.86 0.00 0.17 -5.34 -5.15 -1.94 -0.44 116.94 110.10 3b8h h PHE 612 Ca -0.44 0.00 -0.32 0.00 -0.20 0.00 0.00 57.97 57.00 3b8h h PHE 612 Cb 1.21 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.39 3b8h h PHE 612 CO 0.62 0.09 -1.56 0.87 -2.00 0.00 0.00 178.31 176.33 3b8h h LYS 613 N 0.00 0.35 -0.20 6.09 1.57 -1.93 -2.33 116.57 120.12 3b8h h LYS 613 Ca -0.00 -0.60 -0.16 0.00 -1.87 0.00 0.00 60.65 58.01 3b8h h LYS 613 Cb 0.22 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3b8h h LYS 613 CO 0.01 1.25 -0.55 0.00 -0.57 0.00 0.00 179.45 179.60 3b8h h ALA 614 N 0.33 0.66 -0.34 3.86 0.00 -1.88 -2.87 119.26 119.02 3b8h h ALA 614 Ca -0.26 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.00 3b8h h ALA 614 Cb 2.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 3b8h h ALA 614 CO 0.19 0.69 -0.35 -0.09 0.00 0.00 0.00 179.25 179.69 3b8h h ARG 615 N 0.47 0.77 -0.40 0.00 2.43 -1.18 -3.04 114.38 113.42 3b8h h ARG 615 Ca 0.01 -0.37 -0.09 0.00 -0.81 0.00 0.00 59.98 58.72 3b8h h ARG 615 Cb 1.10 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3b8h h ARG 615 CO 0.11 0.99 -0.11 0.00 -1.51 0.00 0.00 179.97 179.45 3b8h h ALA 616 N 0.97 1.05 -0.73 2.80 0.00 -1.40 -2.46 119.26 119.49 3b8h h ALA 616 Ca 0.06 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.73 3b8h h ALA 616 Cb 0.89 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3b8h h ALA 616 CO 0.08 0.58 0.43 -0.09 0.00 0.00 0.00 179.25 180.25 3b8h h ARG 617 N 0.65 0.76 -0.10 0.00 9.65 -1.39 -0.02 114.38 123.92 3b8h h ARG 617 Ca 0.11 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 3b8h h ARG 617 Cb 0.57 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 3b8h h ARG 617 CO 0.04 0.51 -0.00 0.82 2.80 0.00 0.00 179.97 184.13 3b8h h ILE 618 N 0.79 1.25 -0.62 1.20 2.04 -1.42 1.00 117.51 121.75 3b8h h ILE 618 Ca 0.32 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3b8h h ILE 618 Cb 0.17 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3b8h h ILE 618 CO -0.18 0.23 0.33 0.24 0.00 0.00 0.00 178.15 178.77 3b8h h MET 619 N -0.10 0.86 0.14 2.37 2.86 -1.24 0.15 114.93 119.96 3b8h h MET 619 Ca 0.03 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3b8h h MET 619 Cb 0.35 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3b8h h MET 619 CO 0.01 0.64 -0.07 0.00 1.06 0.00 0.00 176.91 178.55 3b8h h ALA 620 N 1.49 -0.18 0.14 6.32 0.00 -0.84 0.03 119.26 126.23 3b8h h ALA 620 Ca 0.22 -0.23 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 3b8h h ALA 620 Cb 0.04 0.07 0.03 0.00 0.00 0.00 0.00 17.79 17.94 3b8h h ALA 620 CO -0.03 -0.33 -1.24 -0.44 0.00 0.00 0.00 179.25 177.20 3b8h h ASP 621 N -0.72 0.84 0.20 0.00 3.32 -0.72 -3.06 116.42 116.27 3b8h h ASP 621 Ca -0.02 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.18 3b8h h ASP 621 Cb 0.52 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3b8h h ASP 621 CO 0.03 1.61 -1.33 0.47 -1.72 0.00 0.00 179.24 178.30 3b8h n ASP 622 N -3.82 0.53 0.00 6.45 8.00 0.51 -4.58 116.55 123.64 3b8h n ASP 622 Ca -0.14 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.02 3b8h n ASP 622 Cb 0.99 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 43.31 3b8h n ASP 622 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3b8h n TYR 623 N -1.96 0.00 -2.10 1.24 4.01 -1.03 -5.02 117.16 112.30 3b8h n TYR 623 Ca 0.01 -0.07 -0.08 0.00 -0.16 0.00 0.00 57.90 57.60 3b8h n TYR 623 Cb 0.45 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.47 3b8h n TYR 623 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3b8h n GLY 624 N -0.07 0.10 3.83 2.72 0.00 -0.82 -4.94 105.19 106.01 3b8h n GLY 624 Ca 0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 3b8h n GLY 624 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3b8h s TRP 625 N -2.37 3.67 0.02 1.61 0.52 -0.06 -4.97 118.94 117.35 3b8h s TRP 625 Ca 0.00 1.19 -0.30 0.00 0.02 0.00 0.00 56.10 57.01 3b8h s TRP 625 Cb 0.00 -2.46 -0.08 0.00 -1.15 0.00 0.00 33.47 29.78 3b8h s TRP 625 CO 0.00 0.45 1.79 -0.51 0.02 0.00 0.00 176.95 178.70 3b8h s ASP 626 N -1.54 6.55 0.63 2.95 -0.00 -1.26 -3.92 116.67 120.08 3b8h s ASP 626 Ca 0.37 2.49 0.37 0.00 -0.00 0.00 0.00 52.55 55.78 3b8h s ASP 626 Cb -0.17 -2.54 2.12 0.00 -0.00 0.00 0.00 42.92 42.33 3b8h s ASP 626 CO 0.20 -0.97 2.31 1.62 -0.00 0.00 0.00 175.17 178.32 3b8h h VAL 627 N 5.37 0.25 -0.26 -1.27 3.04 -1.93 -0.43 116.25 121.03 3b8h h VAL 627 Ca -0.44 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.20 3b8h h VAL 627 Cb 1.21 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 31.50 3b8h h VAL 627 CO 0.94 0.00 0.10 0.74 -1.01 0.00 0.00 177.57 178.35 3b8h h THR 628 N 0.00 1.18 -0.06 3.17 2.02 -1.96 -2.33 112.91 114.92 3b8h h THR 628 Ca -0.00 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 3b8h h THR 628 Cb 0.02 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3b8h h THR 628 CO 0.00 0.18 -0.03 0.44 0.37 0.00 0.00 175.52 176.48 3b8h h ASP 629 N 0.26 0.14 -0.09 4.18 3.32 -1.50 -3.09 116.42 119.64 3b8h h ASP 629 Ca 0.08 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.74 3b8h h ASP 629 Cb 0.19 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 3b8h h ASP 629 CO -0.01 0.52 0.12 0.00 -1.72 0.00 0.00 179.24 178.16 3b8h h ALA 630 N 0.62 1.58 0.00 3.45 0.00 -1.34 0.13 119.26 123.70 3b8h h ALA 630 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3b8h h ALA 630 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3b8h h ALA 630 CO 0.01 -0.17 -0.11 -0.09 0.00 0.00 0.00 179.25 178.90 3b8h h ARG 631 N 0.00 0.00 -0.68 0.00 9.65 -1.33 -3.31 114.38 118.71 3b8h h ARG 631 Ca 0.04 0.00 -0.39 0.00 -1.10 0.00 0.00 59.98 58.53 3b8h h ARG 631 Cb 0.28 0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 28.64 3b8h h ARG 631 CO -0.00 0.00 0.21 1.63 2.80 0.00 0.00 179.97 184.61 3b8h n LYS 632 N -2.94 2.25 -2.29 0.20 5.02 0.46 -4.97 118.16 115.89 3b8h n LYS 632 Ca 0.04 -3.25 -0.42 0.00 -2.02 0.00 0.00 58.31 52.65 3b8h n LYS 632 Cb 0.52 -2.04 -0.03 0.00 -0.02 0.00 0.00 35.03 33.46 3b8h n LYS 632 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3b8h s ILE 633 N -3.63 3.93 -0.05 -0.18 1.01 -1.22 -1.55 121.20 119.51 3b8h s ILE 633 Ca 0.52 1.25 0.03 0.00 0.00 0.00 0.00 60.65 62.46 3b8h s ILE 633 Cb 0.45 -3.81 -0.25 0.00 0.01 0.00 0.00 42.46 38.86 3b8h s ILE 633 CO 0.03 -0.03 0.63 -0.50 0.00 0.00 0.00 174.94 175.07 3b8h h TRP 634 N 8.00 0.24 -1.71 3.97 4.06 -1.64 -3.49 115.95 125.38 3b8h h TRP 634 Ca -0.35 -0.17 0.25 0.00 2.06 0.00 0.00 58.89 60.68 3b8h h TRP 634 Cb 1.16 -0.01 -0.14 0.00 -1.00 0.00 0.00 29.16 29.17 3b8h h TRP 634 CO 0.77 1.32 0.72 0.00 -3.56 0.00 0.00 178.44 177.69 3b8h s PHE 636 N -2.65 2.54 -0.21 0.00 0.08 -1.26 -2.71 117.98 113.77 3b8h s PHE 636 Ca 0.11 -0.52 -0.32 0.00 0.12 0.00 0.00 56.93 56.32 3b8h s PHE 636 Cb 0.01 -2.19 0.15 0.00 -0.57 0.00 0.00 43.02 40.43 3b8h s PHE 636 CO -0.04 -0.27 1.20 0.20 -0.10 0.00 0.00 175.22 176.21 3b8h s GLY 637 N -4.22 -0.16 0.77 4.36 0.00 -0.84 -3.98 107.32 103.26 3b8h s GLY 637 Ca 0.49 2.13 -0.13 0.00 0.00 0.00 0.00 44.72 47.21 3b8h s GLY 637 CO 0.29 0.85 0.99 -1.05 0.00 0.00 0.00 173.10 174.18 3b8h n PRO 638 N 0.32 -1.24 -1.76 2.90 -0.02 -1.26 -2.75 135.00 131.20 3b8h n PRO 638 Ca -0.03 -1.53 -0.17 0.00 -2.02 0.00 0.00 63.50 59.76 3b8h n PRO 638 Cb 0.58 -1.07 -0.05 0.00 -0.02 0.00 0.00 33.50 32.94 3b8h n PRO 638 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3b8h n ASP 639 N -3.77 -4.53 -0.60 2.55 8.00 -1.26 -1.43 116.55 115.51 3b8h n ASP 639 Ca 0.12 0.32 -0.08 0.00 0.71 0.00 0.00 54.79 55.86 3b8h n ASP 639 Cb 0.44 -4.01 -0.03 0.00 -0.02 0.00 0.00 41.12 37.50 3b8h n ASP 639 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b8h n GLY 640 N -0.49 0.92 0.00 0.44 0.00 -1.26 -4.71 105.19 100.10 3b8h n GLY 640 Ca -0.18 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3b8h n GLY 640 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3b8h n ASN 641 N -0.21 0.00 -4.63 1.61 0.23 -0.89 -4.44 115.26 106.93 3b8h n ASN 641 Ca -0.08 -1.00 -0.29 0.00 -0.53 0.00 0.00 54.58 52.68 3b8h n ASN 641 Cb 0.37 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.26 3b8h n ASN 641 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3b8h s GLY 642 N 0.00 1.58 -0.21 4.83 0.00 -0.51 -4.72 107.32 108.29 3b8h s GLY 642 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 44.72 44.53 3b8h s GLY 642 CO 0.00 0.47 3.20 -1.55 0.00 0.00 0.00 173.10 175.22 3b8h n PRO 643 N -4.35 2.00 -3.85 2.90 -0.04 -1.23 -3.34 135.00 127.08 3b8h n PRO 643 Ca 0.05 -1.05 -0.12 0.00 -0.04 0.00 0.00 63.50 62.34 3b8h n PRO 643 Cb 0.55 -2.05 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 3b8h n PRO 643 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3b8h s ASN 644 N 2.17 -0.06 0.03 3.54 0.01 -1.11 -0.63 114.94 118.88 3b8h s ASN 644 Ca 0.60 0.11 0.04 0.00 -0.71 0.00 0.00 52.86 52.90 3b8h s ASN 644 Cb 0.27 0.15 -0.02 0.00 0.41 0.00 0.00 41.25 42.06 3b8h s ASN 644 CO -0.01 -0.05 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.66 3b8h s LEU 645 N -0.06 2.15 -0.15 0.60 1.43 -0.82 -1.99 118.68 119.84 3b8h s LEU 645 Ca -0.01 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 3b8h s LEU 645 Cb -0.01 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 3b8h s LEU 645 CO 0.00 0.00 0.00 -0.69 0.23 0.00 0.00 176.35 175.89 3b8h s VAL 646 N -0.80 4.25 -0.12 -1.59 1.01 -1.10 -0.54 120.40 121.52 3b8h s VAL 646 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3b8h s VAL 646 Cb -0.07 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.44 3b8h s VAL 646 CO 0.01 0.50 -0.22 -0.63 0.00 0.00 0.00 175.10 174.76 3b8h s ILE 647 N 0.18 1.99 -0.58 2.22 -1.09 0.11 -1.49 121.20 122.53 3b8h s ILE 647 Ca 0.01 -0.96 -0.24 0.00 -2.23 0.00 0.00 60.65 57.22 3b8h s ILE 647 Cb -0.13 -1.74 0.04 0.00 -1.58 0.00 0.00 42.46 39.05 3b8h s ILE 647 CO 0.02 0.54 0.99 -0.62 -1.23 0.00 0.00 174.94 174.64 3b8h s ASP 648 N 0.62 6.31 -0.25 3.58 2.15 -0.60 -1.00 116.67 127.49 3b8h s ASP 648 Ca -0.12 -0.42 0.11 0.00 0.43 0.00 0.00 52.55 52.55 3b8h s ASP 648 Cb -0.17 -2.45 0.48 0.00 -0.30 0.00 0.00 42.92 40.48 3b8h s ASP 648 CO 0.03 -1.33 1.39 0.00 -0.17 0.00 0.00 175.17 175.09 3b8h n GLN 649 N 7.73 1.92 -2.19 4.34 6.02 -0.35 -4.86 117.38 129.99 3b8h n GLN 649 Ca 0.02 -3.10 -0.30 0.00 -0.01 0.00 0.00 57.00 53.60 3b8h n GLN 649 Cb 0.47 -1.76 -0.00 0.00 1.02 0.00 0.00 30.24 29.97 3b8h n GLN 649 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3b8h s THR 650 N -3.15 4.73 -0.18 5.09 -4.23 -1.12 -4.66 115.64 112.11 3b8h s THR 650 Ca 0.42 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.72 3b8h s THR 650 Cb 0.38 -3.83 0.04 0.00 1.34 0.00 0.00 72.50 70.43 3b8h s THR 650 CO 0.00 -0.96 -0.08 -0.54 -0.54 0.00 0.00 174.62 172.50 3b8h s LYS 651 N -4.80 1.80 -1.20 3.99 1.02 -1.26 -4.85 119.74 114.44 3b8h s LYS 651 Ca 0.54 -0.71 -0.03 0.00 0.02 0.00 0.00 55.97 55.79 3b8h s LYS 651 Cb -0.11 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 3b8h s LYS 651 CO 0.47 -0.43 0.86 0.00 -0.92 0.00 0.00 175.35 175.33 3b8h n ALA 652 N 4.76 -2.16 -2.52 5.17 0.00 -1.26 -4.96 120.51 119.54 3b8h n ALA 652 Ca -0.14 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 3b8h n ALA 652 Cb 0.47 -3.09 -0.09 0.00 0.00 0.00 0.00 19.45 16.74 3b8h n ALA 652 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3b8h s VAL 653 N -3.48 5.11 0.13 0.00 1.01 -1.26 -5.04 120.40 116.86 3b8h s VAL 653 Ca 0.13 -0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 3b8h s VAL 653 Cb -0.03 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 3b8h s VAL 653 CO 0.77 -0.27 1.50 -1.58 0.00 0.00 0.00 175.10 175.53 3b8h s GLN 654 N 2.12 4.26 -1.17 2.72 0.74 -1.26 -2.56 119.66 124.50 3b8h s GLN 654 Ca 0.13 2.23 0.00 0.00 0.05 0.00 0.00 55.36 57.77 3b8h s GLN 654 Cb -0.17 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.68 3b8h s GLN 654 CO 0.13 -0.56 0.00 0.66 -0.55 0.00 0.00 175.29 174.97 3b8h n TYR 655 N 4.24 -0.10 -0.36 1.67 4.02 -1.26 -4.83 117.16 120.54 3b8h n TYR 655 Ca 0.13 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.05 3b8h n TYR 655 Cb 0.40 -2.23 0.18 0.00 -0.02 0.00 0.00 39.34 37.68 3b8h n TYR 655 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3b8h h LEU 656 N 0.00 1.03 -2.04 7.72 5.85 -1.92 -1.60 115.31 124.35 3b8h h LEU 656 Ca -0.24 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3b8h h LEU 656 Cb 0.83 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3b8h h LEU 656 CO 0.34 0.66 -0.06 1.12 -0.34 0.00 0.00 178.44 180.16 3b8h h HIS 657 N 1.17 0.00 0.00 1.25 2.07 -1.91 -2.58 115.15 115.15 3b8h h HIS 657 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 3b8h h HIS 657 Cb 0.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.14 3b8h h HIS 657 CO -0.00 0.06 0.00 0.39 -3.07 0.00 0.00 177.93 175.30 3b8h n GLU 658 N -3.32 0.58 -0.01 5.12 1.02 -0.60 -2.65 120.64 120.78 3b8h n GLU 658 Ca -0.01 0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 3b8h n GLU 658 Cb 0.22 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 3b8h n GLU 658 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3b8h n ILE 659 N -1.19 0.53 -0.14 -3.67 -5.35 -0.97 -4.79 119.36 103.77 3b8h n ILE 659 Ca 0.16 -0.76 -0.08 0.00 -0.27 0.00 0.00 62.75 61.80 3b8h n ILE 659 Cb 0.19 0.75 -0.00 0.00 -1.74 0.00 0.00 39.64 38.83 3b8h n ILE 659 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3b8h h LYS 660 N 0.20 0.58 -0.60 6.28 3.64 -1.54 -1.17 116.57 123.96 3b8h h LYS 660 Ca 0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3b8h h LYS 660 Cb 0.30 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3b8h h LYS 660 CO 0.00 0.47 0.38 -0.44 -2.27 0.00 0.00 179.45 177.59 3b8h h ASP 661 N 0.53 0.71 -0.24 4.20 3.32 -1.87 -1.37 116.42 121.70 3b8h h ASP 661 Ca 0.15 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 3b8h h ASP 661 Cb 0.07 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3b8h h ASP 661 CO -0.02 0.54 -0.36 0.28 -1.72 0.00 0.00 179.24 177.96 3b8h h SER 662 N 0.82 0.73 -0.36 6.45 0.02 -1.79 -2.43 113.55 116.99 3b8h h SER 662 Ca 0.22 -0.52 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 3b8h h SER 662 Cb -0.05 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3b8h h SER 662 CO -0.04 1.10 0.14 0.58 -1.14 0.00 0.00 176.83 177.47 3b8h h VAL 663 N 0.37 1.19 -0.71 2.27 2.07 -0.85 -1.21 116.25 119.39 3b8h h VAL 663 Ca 0.02 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3b8h h VAL 663 Cb 0.95 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3b8h h VAL 663 CO 0.08 0.21 0.47 0.58 0.02 0.00 0.00 177.57 178.93 3b8h h VAL 664 N 0.43 1.17 -0.06 2.57 2.07 -1.31 -1.03 116.25 120.10 3b8h h VAL 664 Ca 0.12 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3b8h h VAL 664 Cb 0.20 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3b8h h VAL 664 CO -0.01 0.17 -0.09 0.00 0.02 0.00 0.00 177.57 177.67 3b8h h ALA 665 N 1.26 -0.04 -0.82 1.67 0.00 -1.14 -0.88 119.26 119.32 3b8h h ALA 665 Ca 0.26 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.29 3b8h h ALA 665 Cb -0.10 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3b8h h ALA 665 CO -0.06 -0.56 0.47 0.00 0.00 0.00 0.00 179.25 179.10 3b8h h ALA 666 N 0.91 1.16 -0.79 0.00 0.00 -0.81 -1.28 119.26 118.45 3b8h h ALA 666 Ca 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3b8h h ALA 666 Cb 0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3b8h h ALA 666 CO -0.13 0.11 0.42 0.35 0.00 0.00 0.00 179.25 180.00 3b8h h PHE 667 N 0.80 1.07 -0.84 0.00 3.57 -0.48 -0.26 116.94 120.80 3b8h h PHE 667 Ca 0.39 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 3b8h h PHE 667 Cb 0.34 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 3b8h h PHE 667 CO -0.06 0.75 0.52 1.96 -2.23 0.00 0.00 178.31 179.25 3b8h h GLN 668 N 1.10 1.14 0.00 1.11 1.08 0.00 -1.42 115.11 118.12 3b8h h GLN 668 Ca 0.28 -0.10 -0.26 0.00 -1.45 0.00 0.00 58.65 57.12 3b8h h GLN 668 Cb 0.03 -0.24 0.02 0.00 -0.05 0.00 0.00 27.48 27.24 3b8h h GLN 668 CO -0.04 0.79 -1.02 -1.49 -0.95 0.00 0.00 178.83 176.12 3b8h h TRP 669 N 1.15 0.91 -0.55 2.96 4.06 -1.09 -2.83 115.95 120.57 3b8h h TRP 669 Ca 0.30 -0.50 -0.10 0.00 2.06 0.00 0.00 58.89 60.66 3b8h h TRP 669 Cb -0.06 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 3b8h h TRP 669 CO -0.00 1.33 -0.04 0.00 -3.56 0.00 0.00 178.44 176.17 3b8h h ALA 670 N 0.50 0.90 0.00 1.49 0.00 -0.86 -2.75 119.26 118.55 3b8h h ALA 670 Ca -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3b8h h ALA 670 Cb 1.67 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3b8h h ALA 670 CO 0.19 0.64 -0.26 1.79 0.00 0.00 0.00 179.25 181.62 3b8h h THR 671 N 0.88 0.00 -0.06 0.00 1.35 -1.35 -3.22 112.91 110.50 3b8h h THR 671 Ca 0.15 -0.54 -0.16 0.00 -0.55 0.00 0.00 66.41 65.32 3b8h h THR 671 Cb 0.57 1.37 0.01 0.00 -1.73 0.00 0.00 68.15 68.36 3b8h h THR 671 CO 0.03 0.00 -0.58 0.50 -0.25 0.00 0.00 175.52 175.22 3b8h h LYS 672 N 0.00 0.50 -3.07 4.72 1.63 -1.24 0.42 116.57 119.53 3b8h h LYS 672 Ca 0.00 -0.46 -0.56 0.00 -0.85 0.00 0.00 60.65 58.78 3b8h h LYS 672 Cb 0.77 0.11 -0.40 0.00 -0.60 0.00 0.00 32.23 32.11 3b8h h LYS 672 CO 0.00 1.10 -0.77 -1.21 -3.45 0.00 0.00 179.45 175.11 3b8h s GLU 673 N -3.49 0.44 0.98 1.90 2.02 -1.06 -3.09 118.70 116.40 3b8h s GLU 673 Ca -0.13 -0.83 -0.13 0.00 0.02 0.00 0.00 54.97 53.91 3b8h s GLU 673 Cb 0.05 -1.51 0.18 0.00 0.10 0.00 0.00 34.13 32.94 3b8h s GLU 673 CO 0.83 -1.02 1.11 0.20 0.02 0.00 0.00 175.26 176.40 3b8h s GLY 674 N 1.81 1.57 0.00 -1.39 0.00 0.14 -4.72 107.32 104.72 3b8h s GLY 674 Ca 0.10 -0.46 0.21 0.00 0.00 0.00 0.00 44.72 44.56 3b8h s GLY 674 CO -0.29 0.15 1.67 -1.55 0.00 0.00 0.00 173.10 173.07 3b8h n PRO 675 N -4.07 0.01 -0.05 2.90 -0.04 -1.26 -2.07 135.00 130.42 3b8h n PRO 675 Ca 0.06 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 3b8h n PRO 675 Cb 0.58 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 3b8h n PRO 675 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3b8h h ILE 676 N 0.00 1.25 0.00 0.52 2.04 -1.92 -3.42 117.51 115.97 3b8h h ILE 676 Ca 0.00 -1.84 -0.13 0.00 1.00 0.00 0.00 64.86 63.89 3b8h h ILE 676 Cb 0.35 2.32 -0.12 0.00 -0.74 0.00 0.00 36.82 38.63 3b8h h ILE 676 CO 0.00 0.41 -0.24 2.22 0.00 0.00 0.00 178.15 180.54 3b8h n PHE 677 N -4.69 -1.06 -0.95 1.37 -0.00 -1.25 -4.85 117.46 106.03 3b8h n PHE 677 Ca -0.07 -1.04 0.00 0.00 -0.00 0.00 0.00 57.45 56.33 3b8h n PHE 677 Cb 0.33 1.03 0.00 0.00 -0.00 0.00 0.00 39.48 40.84 3b8h n PHE 677 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3b8h n GLY 678 N -0.79 0.71 3.89 4.97 0.00 -0.88 -4.85 105.19 108.25 3b8h n GLY 678 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3b8h n GLY 678 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b8h s GLU 679 N -0.05 3.65 0.59 1.61 0.41 -1.26 -4.23 118.70 119.42 3b8h s GLU 679 Ca 0.00 0.32 -0.20 0.00 -0.41 0.00 0.00 54.97 54.68 3b8h s GLU 679 Cb 0.00 -2.39 -0.03 0.00 -1.78 0.00 0.00 34.13 29.93 3b8h s GLU 679 CO 0.00 -0.12 1.27 -1.21 -0.49 0.00 0.00 175.26 174.71 3b8h s GLU 680 N -4.30 2.93 0.44 1.61 2.02 -1.18 0.25 118.70 120.47 3b8h s GLU 680 Ca 0.49 2.01 -0.14 0.00 0.02 0.00 0.00 54.97 57.35 3b8h s GLU 680 Cb -0.10 -2.02 -0.07 0.00 0.10 0.00 0.00 34.13 32.03 3b8h s GLU 680 CO 0.38 -1.29 0.86 -1.64 0.02 0.00 0.00 175.26 173.60 3b8h s MET 681 N -3.19 3.88 -0.11 1.61 -1.94 0.14 -0.02 119.30 119.67 3b8h s MET 681 Ca 0.77 0.71 -0.08 0.00 -1.71 0.00 0.00 55.69 55.37 3b8h s MET 681 Cb -0.35 -2.28 0.03 0.00 2.01 0.00 0.00 34.83 34.24 3b8h s MET 681 CO 0.39 -0.12 0.27 0.50 -0.01 0.00 0.00 175.02 176.06 3b8h s ARG 682 N -3.85 0.29 -1.24 2.03 3.52 -0.00 -4.80 118.95 114.90 3b8h s ARG 682 Ca 0.55 0.45 -0.08 0.00 -0.13 0.00 0.00 55.73 56.52 3b8h s ARG 682 Cb -0.10 0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.36 3b8h s ARG 682 CO 0.30 -0.08 1.08 0.43 -0.81 0.00 0.00 175.30 176.21 3b8h n SER 683 N 3.41 -5.80 -4.25 -2.12 7.64 0.19 -4.44 113.62 108.26 3b8h n SER 683 Ca -0.17 -0.50 -0.36 0.00 1.01 0.00 0.00 58.87 58.85 3b8h n SER 683 Cb 0.56 -4.67 -0.14 0.00 -1.01 0.00 0.00 64.21 58.96 3b8h n SER 683 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3b8h s VAL 684 N -3.30 3.32 -0.17 0.44 1.01 -1.24 -0.87 120.40 119.60 3b8h s VAL 684 Ca 0.51 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 3b8h s VAL 684 Cb -0.22 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 3b8h s VAL 684 CO 0.67 0.12 0.25 -0.60 0.00 0.00 0.00 175.10 175.54 3b8h s ARG 685 N 1.39 4.24 -0.19 2.72 3.52 0.41 -1.94 118.95 129.09 3b8h s ARG 685 Ca 0.01 -0.00 -0.02 0.00 -0.13 0.00 0.00 55.73 55.59 3b8h s ARG 685 Cb -0.17 -3.43 -0.00 0.00 -1.56 0.00 0.00 34.95 29.79 3b8h s ARG 685 CO -0.01 0.24 -0.11 0.08 -0.81 0.00 0.00 175.30 174.69 3b8h s VAL 686 N 0.48 2.90 -0.34 7.11 1.01 0.30 -0.30 120.40 131.57 3b8h s VAL 686 Ca 0.14 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 3b8h s VAL 686 Cb -0.12 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3b8h s VAL 686 CO 0.02 0.48 0.17 0.20 0.00 0.00 0.00 175.10 175.97 3b8h s ASN 687 N 1.22 5.58 -0.39 3.32 0.01 0.63 0.06 114.94 125.37 3b8h s ASN 687 Ca 0.02 -0.74 -0.29 0.00 -0.71 0.00 0.00 52.86 51.14 3b8h s ASN 687 Cb -0.14 -2.00 0.02 0.00 0.41 0.00 0.00 41.25 39.54 3b8h s ASN 687 CO -0.05 -0.27 1.21 -0.63 -1.51 0.00 0.00 177.10 175.86 3b8h s ILE 688 N 1.57 4.20 -0.05 0.60 1.01 -0.17 -1.03 121.20 127.34 3b8h s ILE 688 Ca 0.03 1.30 0.11 0.00 0.00 0.00 0.00 60.65 62.09 3b8h s ILE 688 Cb -0.18 -4.38 -0.23 0.00 0.01 0.00 0.00 42.46 37.68 3b8h s ILE 688 CO 0.06 -0.71 0.63 0.18 0.00 0.00 0.00 174.94 175.10 3b8h n LEU 689 N 7.75 1.02 -3.55 2.97 4.77 0.93 -1.20 117.00 129.68 3b8h n LEU 689 Ca 0.13 0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 56.39 3b8h n LEU 689 Cb 0.48 0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 3b8h n LEU 689 CO 0.67 0.43 0.67 -0.62 -1.33 0.00 0.00 177.39 177.21 3b8h s ASP 690 N -6.17 -0.45 -0.11 -1.43 2.15 -1.01 -4.27 116.67 105.38 3b8h s ASP 690 Ca -0.06 0.43 -0.05 0.00 0.43 0.00 0.00 52.55 53.29 3b8h s ASP 690 Cb 0.08 0.38 0.05 0.00 -0.30 0.00 0.00 42.92 43.12 3b8h s ASP 690 CO 0.82 -0.45 0.25 -0.69 -0.17 0.00 0.00 175.17 174.92 3b8h s VAL 691 N -1.42 -0.05 -0.12 1.11 1.01 -1.26 -0.37 120.40 119.29 3b8h s VAL 691 Ca -0.03 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 3b8h s VAL 691 Cb -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 3b8h s VAL 691 CO 0.02 0.06 -0.11 0.42 0.00 0.00 0.00 175.10 175.50 3b8h s THR 692 N 1.31 3.28 0.10 3.92 -4.23 -0.66 -4.86 115.64 114.50 3b8h s THR 692 Ca -0.09 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 59.89 3b8h s THR 692 Cb -0.10 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 3b8h s THR 692 CO -0.09 0.53 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.60 3b8h s LEU 693 N 0.13 2.32 0.25 4.79 1.43 -1.26 -1.21 118.68 125.13 3b8h s LEU 693 Ca -0.05 -0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 52.06 3b8h s LEU 693 Cb -0.15 -0.65 -0.09 0.00 0.03 0.00 0.00 46.19 45.33 3b8h s LEU 693 CO 0.04 -0.05 1.28 -2.28 0.23 0.00 0.00 176.35 175.58 3b8h s HIS 694 N -1.46 3.24 0.43 0.29 5.65 -1.17 -4.91 115.29 117.35 3b8h s HIS 694 Ca 0.04 1.33 0.15 0.00 0.25 0.00 0.00 55.06 56.83 3b8h s HIS 694 Cb -0.09 -3.59 1.04 0.00 -1.18 0.00 0.00 32.58 28.77 3b8h s HIS 694 CO 0.03 -1.71 1.92 0.00 -0.65 0.00 0.00 174.74 174.33 3b8h h ALA 695 N 4.61 2.09 -2.84 1.58 0.00 -1.98 -3.40 119.26 119.32 3b8h h ALA 695 Ca -0.46 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.85 3b8h h ALA 695 Cb 1.22 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 3b8h h ALA 695 CO 0.73 -0.29 -0.16 -0.51 0.00 0.00 0.00 179.25 179.01 3b8h s ASP 696 N -5.98 6.49 0.60 0.00 1.01 -1.26 -4.96 116.67 112.57 3b8h s ASP 696 Ca -0.08 0.58 0.30 0.00 0.71 0.00 0.00 52.55 54.06 3b8h s ASP 696 Cb 0.21 -2.25 1.80 0.00 1.01 0.00 0.00 42.92 43.69 3b8h s ASP 696 CO 0.77 -0.09 2.20 0.00 0.21 0.00 0.00 175.17 178.26 3b8h h ALA 697 N 7.30 1.59 0.00 5.23 0.00 -2.02 -3.33 119.26 128.02 3b8h h ALA 697 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3b8h h ALA 697 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3b8h h ALA 697 CO 0.73 -0.11 0.00 -0.89 0.00 0.00 0.00 179.25 178.98 3b8h n ILE 698 N -3.77 0.00 0.00 0.00 5.41 -1.26 -3.68 119.36 116.06 3b8h n ILE 698 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3b8h n ILE 698 Cb 0.17 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 3b8h n ILE 698 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3b8h n ARG 700 N 0.82 0.00 -1.22 0.38 -4.01 -1.25 -5.11 116.66 106.27 3b8h n ARG 700 Ca 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 3b8h n ARG 700 Cb 0.00 0.00 0.08 0.00 -3.04 0.00 0.00 32.46 29.50 3b8h n ARG 700 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3b8h n GLY 701 N 0.00 -0.32 0.20 2.89 0.00 -1.24 -4.74 105.19 101.98 3b8h n GLY 701 Ca 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 3b8h n GLY 701 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3b8h h GLY 702 N -0.57 0.54 1.17 -0.02 0.00 -1.96 -1.06 103.07 101.18 3b8h h GLY 702 Ca -0.18 0.06 0.11 0.00 0.00 0.00 0.00 47.33 47.31 3b8h h GLY 702 CO 0.16 -0.14 0.31 -1.33 0.00 0.00 0.00 176.54 175.54 3b8h h GLY 703 N 0.13 0.00 0.06 4.60 0.00 -2.01 -1.19 103.07 104.66 3b8h h GLY 703 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.37 3b8h h GLY 703 CO -0.42 0.00 -1.22 1.46 0.00 0.00 0.00 176.54 176.35 3b8h h GLN 704 N 0.00 0.03 -0.07 4.80 1.08 -1.58 -3.41 115.11 115.96 3b8h h GLN 704 Ca 0.18 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.22 3b8h h GLN 704 Cb 0.80 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.25 3b8h h GLN 704 CO -0.00 1.02 -0.39 0.82 -0.95 0.00 0.00 178.83 179.33 3b8h h ILE 705 N -0.90 1.42 -0.31 2.54 1.08 -1.15 -3.27 117.51 116.91 3b8h h ILE 705 Ca -0.33 -1.79 0.07 0.00 -0.39 0.00 0.00 64.86 62.42 3b8h h ILE 705 Cb 1.35 2.34 -0.08 0.00 -3.07 0.00 0.00 36.82 37.36 3b8h h ILE 705 CO -0.17 0.52 -0.33 0.40 -0.69 0.00 0.00 178.15 177.89 3b8h h ILE 706 N -0.10 0.24 -0.29 -0.67 2.04 -1.45 0.16 117.51 117.44 3b8h h ILE 706 Ca -0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3b8h h ILE 706 Cb 1.05 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3b8h h ILE 706 CO 0.08 0.00 0.00 -0.65 0.00 0.00 0.00 178.15 177.58 3b8h h PRO 707 N -0.30 0.44 0.37 2.37 0.11 -1.79 -1.24 132.00 131.95 3b8h h PRO 707 Ca 0.14 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3b8h h PRO 707 Cb 0.54 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3b8h h PRO 707 CO -0.48 0.46 -0.18 1.15 -0.21 0.00 0.00 178.00 178.75 3b8h h THR 708 N 0.42 0.65 -0.65 -1.15 2.02 -1.07 -1.22 112.91 111.91 3b8h h THR 708 Ca 0.09 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3b8h h THR 708 Cb 0.28 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3b8h h THR 708 CO 0.01 0.04 0.35 -0.03 0.37 0.00 0.00 175.52 176.26 3b8h h MET 709 N -0.61 0.92 -0.55 6.66 1.85 -0.67 -1.55 114.93 120.98 3b8h h MET 709 Ca -0.05 -0.11 -0.03 0.00 -0.61 0.00 0.00 59.70 58.90 3b8h h MET 709 Cb 0.45 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 32.28 3b8h h MET 709 CO 0.08 0.70 0.23 -0.09 -0.40 0.00 0.00 176.91 177.43 3b8h h ARG 710 N 0.89 0.81 -0.13 0.39 2.43 -1.17 -1.10 114.38 116.51 3b8h h ARG 710 Ca 0.23 -0.14 -0.18 0.00 -0.81 0.00 0.00 59.98 59.08 3b8h h ARG 710 Cb 0.06 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3b8h h ARG 710 CO -0.04 0.70 -0.65 0.00 -1.51 0.00 0.00 179.97 178.48 3b8h h ARG 711 N 0.75 0.51 -0.72 0.20 3.08 -1.09 -2.24 114.38 114.86 3b8h h ARG 711 Ca 0.18 -0.37 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 3b8h h ARG 711 Cb 0.18 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3b8h h ARG 711 CO -0.02 0.99 0.23 0.00 -1.07 0.00 0.00 179.97 180.10 3b8h h ALA 712 N 0.92 1.04 0.08 0.04 0.00 -1.10 -0.93 119.26 119.31 3b8h h ALA 712 Ca -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3b8h h ALA 712 Cb 1.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3b8h h ALA 712 CO 0.12 0.65 -0.04 1.15 0.00 0.00 0.00 179.25 181.13 3b8h h THR 713 N 1.07 0.96 -0.64 0.00 2.02 -1.04 0.16 112.91 115.43 3b8h h THR 713 Ca 0.24 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 67.36 3b8h h THR 713 Cb 0.29 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 3b8h h THR 713 CO -0.01 0.03 0.34 1.88 0.37 0.00 0.00 175.52 178.13 3b8h h TYR 714 N -0.16 0.61 0.04 3.16 0.05 -1.23 0.28 116.97 119.72 3b8h h TYR 714 Ca -0.01 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.80 3b8h h TYR 714 Cb 0.13 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 3b8h h TYR 714 CO -0.06 0.27 -0.08 0.00 -1.05 0.00 0.00 178.16 177.25 3b8h h ALA 715 N 1.35 -0.11 -0.75 3.88 0.00 -0.87 -0.06 119.26 122.70 3b8h h ALA 715 Ca 0.30 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3b8h h ALA 715 Cb 0.22 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3b8h h ALA 715 CO -0.20 -0.58 0.50 0.78 0.00 0.00 0.00 179.25 179.74 3b8h h GLY 716 N -0.15 1.06 0.84 0.00 0.00 -0.16 -2.15 103.07 102.50 3b8h h GLY 716 Ca 0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3b8h h GLY 716 CO -0.05 0.39 -0.24 -2.75 0.00 0.00 0.00 176.54 173.89 3b8h h PHE 717 N 1.02 -0.63 -0.01 5.60 3.57 -0.18 -2.58 116.94 123.72 3b8h h PHE 717 Ca 0.28 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3b8h h PHE 717 Cb -0.11 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3b8h h PHE 717 CO -0.02 -0.36 0.02 -0.07 -2.23 0.00 0.00 178.31 175.65 3b8h h LEU 718 N -0.57 0.00 0.00 0.59 4.07 -0.83 -0.56 115.31 118.01 3b8h h LEU 718 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3b8h h LEU 718 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 3b8h h LEU 718 CO 0.01 0.00 -0.37 0.18 -1.08 0.00 0.00 178.44 177.18 3b8h n LEU 719 N -3.64 0.40 -2.12 1.67 4.77 -0.83 -4.26 117.00 113.00 3b8h n LEU 719 Ca -0.03 0.17 -0.26 0.00 -0.03 0.00 0.00 56.01 55.87 3b8h n LEU 719 Cb 0.10 -0.31 0.13 0.00 -2.33 0.00 0.00 43.42 41.02 3b8h n LEU 719 CO 0.25 0.06 1.21 0.00 -1.33 0.00 0.00 177.39 177.58 3b8h n ALA 720 N -1.55 5.69 -2.76 -1.18 0.00 -0.22 -0.79 120.51 119.70 3b8h n ALA 720 Ca 0.06 -3.21 -0.02 0.00 0.00 0.00 0.00 53.44 50.27 3b8h n ALA 720 Cb 0.35 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3b8h n ALA 720 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3b8h n ASP 721 N -1.03 -6.94 -4.77 0.00 2.03 -1.26 -2.09 116.55 102.49 3b8h n ASP 721 Ca 0.57 0.09 -0.41 0.00 0.52 0.00 0.00 54.79 55.57 3b8h n ASP 721 Cb 1.17 -4.67 -0.02 0.00 -0.72 0.00 0.00 41.12 36.88 3b8h n ASP 721 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3b8h s PRO 722 N -2.81 4.36 0.27 -0.67 0.02 -1.26 -1.18 135.00 133.72 3b8h s PRO 722 Ca 0.06 2.21 -0.06 0.00 0.02 0.00 0.00 61.00 63.23 3b8h s PRO 722 Cb -0.02 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.42 3b8h s PRO 722 CO 0.64 -0.19 0.39 0.15 -0.33 0.00 0.00 177.00 177.66 3b8h s LYS 723 N -1.80 1.57 0.17 5.54 1.02 0.61 -4.56 119.74 122.29 3b8h s LYS 723 Ca 0.49 -1.51 0.10 0.00 0.02 0.00 0.00 55.97 55.06 3b8h s LYS 723 Cb -0.40 0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 3b8h s LYS 723 CO 0.53 -0.62 -0.21 0.96 -0.92 0.00 0.00 175.35 175.09 3b8h s ILE 724 N -3.76 2.04 -0.03 2.17 -4.36 -1.26 -0.73 121.20 115.28 3b8h s ILE 724 Ca 0.29 -1.95 0.07 0.00 -0.26 0.00 0.00 60.65 58.80 3b8h s ILE 724 Cb 0.01 -1.95 -0.02 0.00 1.25 0.00 0.00 42.46 41.76 3b8h s ILE 724 CO 0.13 -0.22 -0.23 -1.10 0.24 0.00 0.00 174.94 173.77 3b8h s GLN 725 N -2.69 2.24 -0.03 0.37 -0.21 0.22 -1.19 119.66 118.37 3b8h s GLN 725 Ca 0.17 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 54.71 3b8h s GLN 725 Cb -0.07 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 31.76 3b8h s GLN 725 CO 0.08 0.57 -0.05 -1.83 -2.12 0.00 0.00 175.29 171.94 3b8h s GLU 726 N -0.63 2.72 0.37 2.91 -1.05 0.34 -1.09 118.70 122.26 3b8h s GLU 726 Ca 0.10 -0.60 -0.26 0.00 -0.15 0.00 0.00 54.97 54.06 3b8h s GLU 726 Cb -0.10 -2.60 -0.09 0.00 -0.44 0.00 0.00 34.13 30.90 3b8h s GLU 726 CO -0.00 0.64 1.17 -1.25 0.95 0.00 0.00 175.26 176.76 3b8h s PRO 727 N -1.16 4.21 -0.05 -4.83 0.04 -1.26 -0.69 135.00 131.26 3b8h s PRO 727 Ca 0.15 1.86 0.02 0.00 0.04 0.00 0.00 61.00 63.08 3b8h s PRO 727 Cb -0.11 -2.82 0.01 0.00 0.04 0.00 0.00 34.50 31.62 3b8h s PRO 727 CO 0.05 -0.19 -0.10 0.08 0.04 0.00 0.00 177.00 176.88 3b8h s VAL 728 N -1.35 0.95 0.43 -0.36 1.01 -0.36 -1.80 120.40 118.93 3b8h s VAL 728 Ca 0.54 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 3b8h s VAL 728 Cb -0.32 -0.86 -0.08 0.00 0.00 0.00 0.00 36.38 35.12 3b8h s VAL 728 CO 0.40 0.30 0.86 -0.36 0.00 0.00 0.00 175.10 176.30 3b8h s PHE 729 N 0.49 3.44 -0.32 5.22 0.08 0.98 -0.79 117.98 127.08 3b8h s PHE 729 Ca -0.09 1.26 -0.08 0.00 0.12 0.00 0.00 56.93 58.14 3b8h s PHE 729 Cb -0.13 -2.61 0.01 0.00 -0.57 0.00 0.00 43.02 39.72 3b8h s PHE 729 CO 0.02 -0.17 0.13 -1.17 -0.10 0.00 0.00 175.22 173.92 3b8h s LEU 730 N -3.76 4.14 -0.15 -0.37 2.96 0.44 -1.05 118.68 120.90 3b8h s LEU 730 Ca 0.55 -0.75 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 3b8h s LEU 730 Cb -0.10 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3b8h s LEU 730 CO 0.28 -0.24 0.02 0.54 -1.32 0.00 0.00 176.35 175.63 3b8h s VAL 731 N 1.53 4.43 -0.24 1.68 0.11 0.54 -1.97 120.40 126.48 3b8h s VAL 731 Ca 0.03 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 3b8h s VAL 731 Cb -0.18 -2.95 0.04 0.00 -1.53 0.00 0.00 36.38 31.76 3b8h s VAL 731 CO 0.04 0.51 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.51 3b8h s GLU 732 N 0.06 2.56 -0.23 1.54 2.12 0.22 -1.42 118.70 123.55 3b8h s GLU 732 Ca 0.03 -1.14 -0.03 0.00 0.36 0.00 0.00 54.97 54.19 3b8h s GLU 732 Cb -0.13 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.39 3b8h s GLU 732 CO 0.02 -0.46 -0.05 0.42 -0.54 0.00 0.00 175.26 174.64 3b8h s ILE 733 N 1.21 3.19 -0.01 -3.70 1.01 0.36 -1.71 121.20 121.55 3b8h s ILE 733 Ca -0.04 -0.64 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 3b8h s ILE 733 Cb -0.18 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 3b8h s ILE 733 CO -0.06 0.38 0.65 -1.10 0.00 0.00 0.00 174.94 174.80 3b8h s GLN 734 N 1.44 4.38 -0.27 2.79 1.11 -0.74 -1.36 119.66 127.01 3b8h s GLN 734 Ca 0.05 0.83 -0.25 0.00 0.01 0.00 0.00 55.36 55.99 3b8h s GLN 734 Cb -0.15 -3.37 0.09 0.00 -1.01 0.00 0.00 33.01 28.57 3b8h s GLN 734 CO -0.04 0.29 0.83 0.00 0.01 0.00 0.00 175.29 176.38 3b8h s PRO 736 N 0.27 3.50 0.23 0.00 0.02 -1.26 -0.61 135.00 137.16 3b8h s PRO 736 Ca 0.01 2.29 -0.12 0.00 0.02 0.00 0.00 61.00 63.20 3b8h s PRO 736 Cb -0.05 -2.50 0.31 0.00 0.02 0.00 0.00 34.50 32.29 3b8h s PRO 736 CO -0.01 -0.92 1.60 1.49 -0.33 0.00 0.00 177.00 178.83 3b8h h GLU 737 N 2.00 -0.00 -0.78 5.54 4.81 -1.28 -1.41 114.58 123.46 3b8h h GLU 737 Ca -0.51 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 58.87 3b8h h GLU 737 Cb 1.28 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.56 3b8h h GLU 737 CO 0.60 -0.00 0.35 -0.56 -0.73 0.00 0.00 179.01 178.67 3b8h h GLN 738 N -0.00 0.50 -0.01 1.92 3.07 -1.91 -2.36 115.11 116.30 3b8h h GLN 738 Ca 0.36 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 59.07 3b8h h GLN 738 Cb 0.55 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.00 3b8h h GLN 738 CO -0.78 0.33 -0.10 0.00 0.09 0.00 0.00 178.83 178.37 3b8h n ALA 739 N -2.47 2.76 -0.10 0.06 0.00 -0.56 -4.17 120.51 116.02 3b8h n ALA 739 Ca 0.15 -0.48 0.13 0.00 0.00 0.00 0.00 53.44 53.25 3b8h n ALA 739 Cb 0.42 -1.09 0.51 0.00 0.00 0.00 0.00 19.45 19.29 3b8h n ALA 739 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3b8h h VAL 740 N 2.35 0.86 -0.26 0.00 2.07 -1.07 -0.80 116.25 119.40 3b8h h VAL 740 Ca 0.00 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3b8h h VAL 740 Cb 0.58 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3b8h h VAL 740 CO 0.00 0.07 0.18 1.23 0.02 0.00 0.00 177.57 179.07 3b8h h GLY 741 N 0.39 0.10 1.81 2.17 0.00 -1.77 -1.15 103.07 104.61 3b8h h GLY 741 Ca 0.30 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.52 3b8h h GLY 741 CO -0.08 0.03 -0.30 -1.33 0.00 0.00 0.00 176.54 174.85 3b8h h GLY 742 N 0.08 0.24 1.00 4.60 0.00 -1.27 -2.37 103.07 105.35 3b8h h GLY 742 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3b8h h GLY 742 CO -0.01 0.18 -0.31 -2.22 0.00 0.00 0.00 176.54 174.17 3b8h h ILE 743 N 0.20 0.36 -0.48 2.60 2.04 -1.29 -2.53 117.51 118.42 3b8h h ILE 743 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3b8h h ILE 743 Cb 0.63 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3b8h h ILE 743 CO 0.05 0.00 0.24 1.88 0.00 0.00 0.00 178.15 180.31 3b8h h TYR 744 N -0.86 0.64 -0.98 1.37 0.05 -1.55 -2.03 116.97 113.62 3b8h h TYR 744 Ca -0.09 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.74 3b8h h TYR 744 Cb 0.67 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 38.13 3b8h h TYR 744 CO -0.03 0.47 0.63 1.03 -1.05 0.00 0.00 178.16 179.21 3b8h h SER 745 N 0.66 1.02 0.25 3.88 0.87 -1.23 -2.56 113.55 116.43 3b8h h SER 745 Ca 0.17 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.41 3b8h h SER 745 Cb 0.06 -0.22 0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3b8h h SER 745 CO -0.02 0.66 -1.42 0.58 -0.53 0.00 0.00 176.83 176.09 3b8h h VAL 746 N 1.16 1.30 0.00 2.23 2.07 -0.98 -3.32 116.25 118.71 3b8h h VAL 746 Ca 0.41 -2.68 -0.03 0.00 0.82 0.00 0.00 66.70 65.23 3b8h h VAL 746 Cb 0.13 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.96 3b8h h VAL 746 CO -0.15 0.80 -0.12 -0.07 0.02 0.00 0.00 177.57 178.05 3b8h h LEU 747 N 0.09 0.00 -0.25 2.57 3.38 -1.24 -3.01 115.31 116.85 3b8h h LEU 747 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3b8h h LEU 747 Cb 2.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.87 3b8h h LEU 747 CO 0.26 0.12 0.00 0.59 0.09 0.00 0.00 178.44 179.50 3b8h n ASN 748 N -3.86 0.36 -0.07 -0.43 3.02 -0.98 -1.35 115.26 111.95 3b8h n ASN 748 Ca -0.02 -1.73 0.01 0.00 -0.03 0.00 0.00 54.58 52.82 3b8h n ASN 748 Cb 0.22 -0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.37 3b8h n ASN 748 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3b8h n LYS 749 N -0.43 1.35 -1.16 3.52 2.85 -1.14 -4.73 118.16 118.42 3b8h n LYS 749 Ca 0.09 -1.22 0.05 0.00 -1.05 0.00 0.00 58.31 56.17 3b8h n LYS 749 Cb 0.09 -0.83 0.09 0.00 -0.65 0.00 0.00 35.03 33.74 3b8h n LYS 749 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3b8h n LYS 750 N -0.38 0.63 -2.60 -1.58 5.02 -1.07 -4.97 118.16 113.20 3b8h n LYS 750 Ca 0.02 -2.52 -0.13 0.00 -2.02 0.00 0.00 58.31 53.67 3b8h n LYS 750 Cb 0.44 -0.64 -0.00 0.00 -0.02 0.00 0.00 35.03 34.81 3b8h n LYS 750 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3b8h n ARG 751 N -0.13 -2.53 -2.16 1.97 1.74 -1.23 -4.51 116.66 109.81 3b8h n ARG 751 Ca 0.11 0.51 -0.34 0.00 -0.77 0.00 0.00 57.85 57.36 3b8h n ARG 751 Cb 0.97 -5.11 0.01 0.00 -1.02 0.00 0.00 32.46 27.30 3b8h n ARG 751 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3b8h s GLY 752 N -2.14 2.45 -0.19 -0.13 0.00 -0.46 -4.65 107.32 102.21 3b8h s GLY 752 Ca 0.07 0.68 -0.03 0.00 0.00 0.00 0.00 44.72 45.44 3b8h s GLY 752 CO 0.08 1.03 0.05 1.62 0.00 0.00 0.00 173.10 175.88 3b8h s GLN 753 N -3.55 0.53 0.09 2.90 0.74 -0.29 -4.82 119.66 115.27 3b8h s GLN 753 Ca 0.70 -0.34 -0.31 0.00 0.05 0.00 0.00 55.36 55.46 3b8h s GLN 753 Cb -0.21 -2.02 -0.08 0.00 1.10 0.00 0.00 33.01 31.79 3b8h s GLN 753 CO 0.30 -0.64 1.58 0.08 -0.55 0.00 0.00 175.29 176.07 3b8h s VAL 754 N 1.92 3.05 -0.19 1.34 1.01 -1.26 -0.03 120.40 126.23 3b8h s VAL 754 Ca -0.00 0.58 -0.22 0.00 0.00 0.00 0.00 61.98 62.35 3b8h s VAL 754 Cb -0.17 -3.38 -0.21 0.00 0.00 0.00 0.00 36.38 32.63 3b8h s VAL 754 CO -0.08 0.01 0.30 0.58 0.00 0.00 0.00 175.10 175.91 3b8h h VAL 755 N 4.60 1.01 -2.54 2.92 2.07 0.41 -3.47 116.25 121.25 3b8h h VAL 755 Ca -0.42 -2.21 0.03 0.00 0.82 0.00 0.00 66.70 64.92 3b8h h VAL 755 Cb 1.20 2.39 -0.15 0.00 -1.52 0.00 0.00 31.29 33.22 3b8h h VAL 755 CO 0.92 0.39 0.34 -0.94 0.02 0.00 0.00 177.57 178.29 3b8h s SER 756 N -6.79 -0.49 -0.35 0.57 1.04 -1.02 -5.00 113.70 101.67 3b8h s SER 756 Ca -0.27 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 3b8h s SER 756 Cb 0.05 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.78 3b8h s SER 756 CO 0.62 -0.76 0.18 -0.70 0.98 0.00 0.00 173.24 173.55 3b8h s GLU 757 N -3.11 0.64 0.07 4.02 2.12 -1.26 -0.69 118.70 120.49 3b8h s GLU 757 Ca 0.01 -1.23 0.01 0.00 0.36 0.00 0.00 54.97 54.12 3b8h s GLU 757 Cb -0.01 -1.60 -0.04 0.00 0.26 0.00 0.00 34.13 32.74 3b8h s GLU 757 CO -0.08 -1.11 0.19 -2.00 -0.54 0.00 0.00 175.26 171.71 3b8h s GLU 758 N 1.27 3.33 -0.08 4.30 2.12 -0.88 -4.93 118.70 123.84 3b8h s GLU 758 Ca 0.14 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 54.99 3b8h s GLU 758 Cb -0.21 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 3b8h s GLU 758 CO -0.13 0.59 -0.16 -1.14 -0.54 0.00 0.00 175.26 173.89 3b8h s GLN 759 N -2.56 2.82 0.16 4.30 0.74 -1.26 -0.02 119.66 123.83 3b8h s GLN 759 Ca 0.34 -0.73 -0.31 0.00 0.05 0.00 0.00 55.36 54.71 3b8h s GLN 759 Cb -0.13 -2.43 -0.09 0.00 1.10 0.00 0.00 33.01 31.46 3b8h s GLN 759 CO 0.27 0.44 1.47 0.50 -0.55 0.00 0.00 175.29 177.42 3b8h s ARG 760 N -0.25 4.27 0.00 1.67 3.52 -0.12 -4.95 118.95 123.08 3b8h s ARG 760 Ca 0.01 2.23 0.00 0.00 -0.13 0.00 0.00 55.73 57.84 3b8h s ARG 760 Cb -0.13 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 3b8h s ARG 760 CO 0.03 -0.50 0.38 -2.30 -0.81 0.00 0.00 175.30 172.09 3b8h n PRO 761 N 3.69 0.00 0.04 5.12 -0.02 -1.26 -3.59 135.00 138.97 3b8h n PRO 761 Ca 0.12 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3b8h n PRO 761 Cb 0.40 -0.77 -0.08 0.00 -0.02 0.00 0.00 33.50 33.03 3b8h n PRO 761 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3b8h h GLY 762 N 0.00 -0.20 -1.14 -1.23 0.00 -1.98 -3.47 103.07 95.05 3b8h h GLY 762 Ca 0.00 0.07 -0.45 0.00 0.00 0.00 0.00 47.33 46.95 3b8h h GLY 762 CO 0.00 -0.07 0.05 -0.51 0.00 0.00 0.00 176.54 176.00 3b8h s THR 763 N -3.45 2.02 -0.45 4.70 -4.23 -1.24 -4.93 115.64 108.07 3b8h s THR 763 Ca -0.13 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 3b8h s THR 763 Cb 0.00 -2.04 0.47 0.00 1.34 0.00 0.00 72.50 72.28 3b8h s THR 763 CO 0.50 -0.01 1.88 -0.81 -0.54 0.00 0.00 174.62 175.64 3b8h n PRO 764 N -4.83 2.19 -3.48 3.99 -0.04 -1.26 -4.59 135.00 126.99 3b8h n PRO 764 Ca 0.05 -2.58 -0.37 0.00 -0.04 0.00 0.00 63.50 60.55 3b8h n PRO 764 Cb 0.54 -2.01 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 3b8h n PRO 764 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3b8h s LEU 765 N -2.91 4.16 0.13 1.53 2.96 -1.26 -0.68 118.68 122.60 3b8h s LEU 765 Ca 0.50 0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.87 3b8h s LEU 765 Cb 0.41 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 3b8h s LEU 765 CO 0.05 -0.01 0.13 -0.36 -1.32 0.00 0.00 176.35 174.83 3b8h s PHE 766 N 1.10 3.20 -0.34 5.38 0.08 0.22 -0.95 117.98 126.68 3b8h s PHE 766 Ca 0.16 0.04 0.03 0.00 0.12 0.00 0.00 56.93 57.27 3b8h s PHE 766 Cb -0.14 -1.57 0.10 0.00 -0.57 0.00 0.00 43.02 40.84 3b8h s PHE 766 CO 0.06 0.52 0.07 0.99 -0.10 0.00 0.00 175.22 176.77 3b8h s THR 767 N -1.60 1.88 -0.13 0.64 2.01 0.96 -1.70 115.64 117.70 3b8h s THR 767 Ca 0.31 -2.10 -0.18 0.00 0.31 0.00 0.00 61.69 60.03 3b8h s THR 767 Cb -0.11 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 3b8h s THR 767 CO 0.23 -0.63 0.47 -0.69 -0.69 0.00 0.00 174.62 173.32 3b8h s VAL 768 N 1.08 5.18 -0.06 3.82 1.01 -0.46 -2.07 120.40 128.90 3b8h s VAL 768 Ca 0.11 0.94 0.04 0.00 0.00 0.00 0.00 61.98 63.06 3b8h s VAL 768 Cb -0.19 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 3b8h s VAL 768 CO -0.13 0.31 -0.17 -0.54 0.00 0.00 0.00 175.10 174.57 3b8h s LYS 769 N 0.74 2.58 0.04 2.72 1.02 0.13 -0.49 119.74 126.48 3b8h s LYS 769 Ca 0.25 -0.75 -0.21 0.00 0.02 0.00 0.00 55.97 55.28 3b8h s LYS 769 Cb -0.15 -2.34 0.05 0.00 -0.52 0.00 0.00 37.83 34.86 3b8h s LYS 769 CO 0.10 0.53 0.49 0.00 -0.92 0.00 0.00 175.35 175.54 3b8h s ALA 770 N -0.49 -1.23 -0.02 5.17 0.00 -0.50 0.11 121.76 124.79 3b8h s ALA 770 Ca 0.06 0.53 -0.19 0.00 0.00 0.00 0.00 51.96 52.36 3b8h s ALA 770 Cb -0.12 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 3b8h s ALA 770 CO 0.01 -0.48 0.54 0.71 0.00 0.00 0.00 175.76 176.55 3b8h s TYR 771 N -2.37 3.67 -0.14 0.00 2.02 0.96 -0.34 117.35 121.15 3b8h s TYR 771 Ca -0.06 1.12 -0.03 0.00 -0.37 0.00 0.00 57.07 57.73 3b8h s TYR 771 Cb -0.01 -2.54 0.05 0.00 -0.40 0.00 0.00 41.96 39.06 3b8h s TYR 771 CO -0.01 0.39 0.04 -1.17 -1.57 0.00 0.00 175.55 173.22 3b8h s LEU 772 N -0.27 0.78 0.15 -1.29 2.96 -0.21 -1.13 118.68 119.67 3b8h s LEU 772 Ca 0.29 -0.50 -0.34 0.00 -0.22 0.00 0.00 54.13 53.36 3b8h s LEU 772 Cb -0.18 -0.45 -0.15 0.00 0.50 0.00 0.00 46.19 45.91 3b8h s LEU 772 CO 0.16 -0.28 1.39 -2.65 -1.32 0.00 0.00 176.35 173.65 3b8h n PRO 773 N 5.14 1.62 0.14 0.98 -0.02 -1.26 -0.01 135.00 141.59 3b8h n PRO 773 Ca -0.08 0.58 0.06 0.00 -2.02 0.00 0.00 63.50 62.05 3b8h n PRO 773 Cb 0.49 -2.24 0.54 0.00 -0.02 0.00 0.00 33.50 32.27 3b8h n PRO 773 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3b8h h VAL 774 N 3.23 1.05 0.00 -1.45 2.07 -1.71 0.48 116.25 119.93 3b8h h VAL 774 Ca -0.45 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3b8h h VAL 774 Cb 1.30 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3b8h h VAL 774 CO 0.79 0.05 0.00 -0.46 0.02 0.00 0.00 177.57 177.97 3b8h n ASN 775 N -4.51 0.00 -0.20 0.57 0.23 -1.26 -2.26 115.26 107.83 3b8h n ASN 775 Ca -0.00 -1.00 0.02 0.00 -0.53 0.00 0.00 54.58 53.07 3b8h n ASN 775 Cb 0.08 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.81 3b8h n ASN 775 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3b8h n GLU 776 N -0.89 1.02 0.00 -3.83 -0.58 0.15 -4.67 120.64 111.84 3b8h n GLU 776 Ca 0.15 -1.16 0.12 0.00 -0.42 0.00 0.00 57.16 55.85 3b8h n GLU 776 Cb 0.07 -1.09 0.07 0.00 -0.57 0.00 0.00 31.44 29.92 3b8h n GLU 776 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3b8h n SER 777 N 0.09 2.70 -4.62 1.62 3.41 -0.96 -4.79 113.62 111.07 3b8h n SER 777 Ca 0.03 -1.85 -0.43 0.00 -0.26 0.00 0.00 58.87 56.37 3b8h n SER 777 Cb 0.20 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 3b8h n SER 777 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3b8h s PHE 778 N -2.13 2.13 -0.07 7.33 0.40 -1.26 -1.98 117.98 122.41 3b8h s PHE 778 Ca 0.25 0.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.16 3b8h s PHE 778 Cb 0.19 -4.02 0.00 0.00 0.51 0.00 0.00 43.02 39.71 3b8h s PHE 778 CO 0.38 -2.79 0.00 0.41 0.70 0.00 0.00 175.22 173.92 3b8h n GLY 779 N 4.76 0.40 0.11 4.36 0.00 -1.26 -4.98 105.19 108.57 3b8h n GLY 779 Ca 0.19 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3b8h n GLY 779 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3b8h h PHE 780 N 0.00 -0.14 -0.06 1.61 3.57 -1.71 -2.86 116.94 117.35 3b8h h PHE 780 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3b8h h PHE 780 Cb 0.44 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 3b8h h PHE 780 CO 0.02 0.31 0.04 1.79 -2.23 0.00 0.00 178.31 178.24 3b8h h THR 781 N -0.68 1.01 -0.25 4.41 1.35 -1.94 0.58 112.91 117.39 3b8h h THR 781 Ca -0.02 -0.03 -0.03 0.00 -0.55 0.00 0.00 66.41 65.78 3b8h h THR 781 Cb 0.52 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 3b8h h THR 781 CO 0.03 0.01 0.02 1.23 -0.25 0.00 0.00 175.52 176.56 3b8h h GLY 782 N 0.07 0.46 0.82 5.82 0.00 -1.96 -0.14 103.07 108.14 3b8h h GLY 782 Ca 0.02 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 3b8h h GLY 782 CO -0.00 0.30 -0.27 0.83 0.00 0.00 0.00 176.54 177.40 3b8h h GLU 783 N 0.21 0.48 -0.60 4.80 5.08 -1.12 -2.79 114.58 120.64 3b8h h GLU 783 Ca 0.07 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3b8h h GLU 783 Cb 0.37 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3b8h h GLU 783 CO 0.01 0.89 0.40 1.25 -1.00 0.00 0.00 179.01 180.55 3b8h h LEU 784 N 0.12 0.64 -0.12 1.33 5.85 -0.95 -0.47 115.31 121.71 3b8h h LEU 784 Ca 0.01 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3b8h h LEU 784 Cb 0.84 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3b8h h LEU 784 CO 0.06 0.45 -0.00 -0.09 -0.34 0.00 0.00 178.44 178.52 3b8h h ARG 785 N 0.75 0.04 -0.22 1.25 9.65 -0.85 -2.34 114.38 122.65 3b8h h ARG 785 Ca 0.23 -0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.07 3b8h h ARG 785 Cb 0.02 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3b8h h ARG 785 CO -0.06 0.03 -0.04 0.37 2.80 0.00 0.00 179.97 183.06 3b8h h GLN 786 N 0.04 0.42 0.00 0.20 4.15 -1.14 0.64 115.11 119.42 3b8h h GLN 786 Ca 0.06 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3b8h h GLN 786 Cb 0.07 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3b8h h GLN 786 CO -0.09 0.65 0.00 0.00 -1.93 0.00 0.00 178.83 177.46 3b8h n ALA 787 N -2.37 1.32 -0.19 3.38 0.00 -0.24 -2.21 120.51 120.21 3b8h n ALA 787 Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3b8h n ALA 787 Cb 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3b8h n ALA 787 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3b8h n THR 788 N -2.26 0.50 -1.35 0.00 -2.24 -0.89 -4.02 114.28 104.02 3b8h n THR 788 Ca 0.00 -0.65 -0.12 0.00 -2.27 0.00 0.00 64.05 61.01 3b8h n THR 788 Cb 0.12 0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 69.13 3b8h n THR 788 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b8h n GLY 789 N -0.25 1.29 1.52 3.38 0.00 -0.59 -2.15 105.19 108.40 3b8h n GLY 789 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3b8h n GLY 789 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8h n GLY 790 N -1.16 0.59 0.02 -0.02 0.00 0.21 -4.93 105.19 99.91 3b8h n GLY 790 Ca -0.12 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3b8h n GLY 790 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3b8h n GLN 791 N -2.76 0.14 -2.80 1.61 6.02 -0.91 -4.76 117.38 113.92 3b8h n GLN 791 Ca 0.00 0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.64 3b8h n GLN 791 Cb 0.00 -1.57 -0.06 0.00 1.02 0.00 0.00 30.24 29.63 3b8h n GLN 791 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3b8h s ALA 792 N -3.09 3.25 -0.40 -1.58 0.00 -1.26 -4.42 121.76 114.26 3b8h s ALA 792 Ca 0.08 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.59 3b8h s ALA 792 Cb 0.16 -3.16 0.11 0.00 0.00 0.00 0.00 23.12 20.22 3b8h s ALA 792 CO 0.74 0.19 0.14 0.12 0.00 0.00 0.00 175.76 176.95 3b8h s PHE 793 N -1.52 3.19 0.30 0.00 5.36 0.17 -4.96 117.98 120.52 3b8h s PHE 793 Ca 0.48 -2.88 -0.26 0.00 -0.96 0.00 0.00 56.93 53.32 3b8h s PHE 793 Cb -0.20 -2.67 -0.10 0.00 -0.34 0.00 0.00 43.02 39.71 3b8h s PHE 793 CO 0.25 -0.86 0.92 -2.14 -1.46 0.00 0.00 175.22 171.93 3b8h s PRO 794 N 0.53 4.57 -0.19 10.12 0.02 -1.26 -1.80 135.00 146.99 3b8h s PRO 794 Ca 0.13 1.28 -0.05 0.00 0.02 0.00 0.00 61.00 62.39 3b8h s PRO 794 Cb -0.22 -2.85 0.09 0.00 0.02 0.00 0.00 34.50 31.55 3b8h s PRO 794 CO -0.06 0.32 0.33 -0.65 -0.33 0.00 0.00 177.00 176.60 3b8h s GLN 795 N -1.97 0.25 -0.02 5.54 -0.21 -0.69 -4.64 119.66 117.93 3b8h s GLN 795 Ca 0.48 0.70 0.03 0.00 0.02 0.00 0.00 55.36 56.60 3b8h s GLN 795 Cb -0.19 -0.20 -0.00 0.00 1.00 0.00 0.00 33.01 33.62 3b8h s GLN 795 CO 0.24 -0.41 -0.11 0.00 -2.12 0.00 0.00 175.29 172.88 3b8h s MET 796 N 2.49 1.04 0.04 2.91 0.23 -1.26 0.71 119.30 125.46 3b8h s MET 796 Ca 0.04 -0.40 0.04 0.00 -1.03 0.00 0.00 55.69 54.34 3b8h s MET 796 Cb -0.13 -0.98 -0.02 0.00 -1.53 0.00 0.00 34.83 32.16 3b8h s MET 796 CO -0.12 0.21 -0.12 0.54 -2.03 0.00 0.00 175.02 173.50 3b8h s VAL 797 N -0.10 0.97 0.21 5.16 0.11 -0.83 -4.95 120.40 120.97 3b8h s VAL 797 Ca 0.01 -1.02 -0.32 0.00 -2.93 0.00 0.00 61.98 57.73 3b8h s VAL 797 Cb -0.06 -0.91 -0.13 0.00 -1.53 0.00 0.00 36.38 33.75 3b8h s VAL 797 CO 0.00 -0.09 1.60 0.33 -3.33 0.00 0.00 175.10 173.61 3b8h n PHE 798 N 1.78 2.51 -0.03 1.54 7.35 -1.26 -0.42 117.46 128.94 3b8h n PHE 798 Ca -0.19 0.22 -0.07 0.00 -0.76 0.00 0.00 57.45 56.65 3b8h n PHE 798 Cb 0.55 -2.58 -0.02 0.00 0.35 0.00 0.00 39.48 37.77 3b8h n PHE 798 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3b8h n ASP 799 N 3.15 1.29 -3.70 -2.13 -0.08 0.03 -4.77 116.55 110.34 3b8h n ASP 799 Ca 0.14 0.20 -0.10 0.00 -1.51 0.00 0.00 54.79 53.53 3b8h n ASP 799 Cb 0.33 -0.47 -0.04 0.00 2.34 0.00 0.00 41.12 43.28 3b8h n ASP 799 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 3b8h s HIS 800 N -2.35 -0.16 0.06 -0.67 -3.43 -1.15 -5.03 115.29 102.57 3b8h s HIS 800 Ca -0.15 -0.17 -0.09 0.00 -0.80 0.00 0.00 55.06 53.85 3b8h s HIS 800 Cb 0.03 0.38 -0.06 0.00 -1.43 0.00 0.00 32.58 31.51 3b8h s HIS 800 CO 0.20 -0.88 0.37 -1.58 -2.00 0.00 0.00 174.74 170.85 3b8h s TRP 801 N -3.86 3.58 -0.11 0.38 0.52 -1.26 -1.22 118.94 116.97 3b8h s TRP 801 Ca 0.08 0.74 0.00 0.00 0.02 0.00 0.00 56.10 56.94 3b8h s TRP 801 Cb -0.01 -2.12 0.02 0.00 -1.15 0.00 0.00 33.47 30.22 3b8h s TRP 801 CO -0.05 0.54 -0.10 0.45 0.02 0.00 0.00 176.95 177.81 3b8h s SER 802 N -1.75 2.26 -0.22 2.95 0.15 0.13 -4.93 113.70 112.29 3b8h s SER 802 Ca 0.32 -0.35 -0.29 0.00 0.70 0.00 0.00 55.95 56.32 3b8h s SER 802 Cb -0.14 -0.94 -0.00 0.00 -1.71 0.00 0.00 66.02 63.23 3b8h s SER 802 CO 0.18 -0.07 1.19 -0.89 1.20 0.00 0.00 173.24 174.84 3b8h s THR 803 N 1.47 4.40 0.35 6.45 2.01 -1.26 -0.51 115.64 128.55 3b8h s THR 803 Ca 0.02 1.67 -0.28 0.00 0.31 0.00 0.00 61.69 63.41 3b8h s THR 803 Cb -0.13 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 3b8h s THR 803 CO -0.07 -0.23 1.29 -0.76 -0.69 0.00 0.00 174.62 174.17 3b8h s LEU 804 N 3.55 4.36 0.08 4.42 1.43 -0.33 -4.95 118.68 127.24 3b8h s LEU 804 Ca 0.51 2.65 -0.15 0.00 -1.03 0.00 0.00 54.13 56.11 3b8h s LEU 804 Cb -0.18 -3.73 -0.14 0.00 0.03 0.00 0.00 46.19 42.16 3b8h s LEU 804 CO 0.13 -0.61 1.32 1.23 0.23 0.00 0.00 176.35 178.65 3b8h h GLY 805 N 3.17 0.74 -1.40 -3.19 0.00 -1.94 -3.43 103.07 97.02 3b8h h GLY 805 Ca -0.49 -0.94 -0.50 0.00 0.00 0.00 0.00 47.33 45.40 3b8h h GLY 805 CO 0.65 0.84 -0.09 -1.14 0.00 0.00 0.00 176.54 176.79 3b8h n SER 806 N -4.15 -0.80 -4.61 0.19 3.41 -1.26 -4.95 113.62 101.45 3b8h n SER 806 Ca -0.06 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.37 3b8h n SER 806 Cb 0.60 -1.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.16 3b8h n SER 806 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3b8h s ASP 807 N -2.40 6.62 0.61 4.04 3.68 -1.26 -4.76 116.67 123.20 3b8h s ASP 807 Ca 0.64 0.58 0.36 0.00 2.13 0.00 0.00 52.55 56.26 3b8h s ASP 807 Cb -0.22 -2.39 1.97 0.00 -1.45 0.00 0.00 42.92 40.82 3b8h s ASP 807 CO 0.62 -0.61 2.25 1.55 0.13 0.00 0.00 175.17 179.11 3b8h h PRO 808 N 8.18 0.00 0.00 4.34 0.13 -1.85 -1.42 132.00 141.38 3b8h h PRO 808 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3b8h h PRO 808 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3b8h h PRO 808 CO 0.87 0.02 -0.15 1.28 -0.23 0.00 0.00 178.00 179.80 3b8h n LEU 809 N -3.46 0.20 -4.50 1.56 4.77 -1.26 -4.03 117.00 110.28 3b8h n LEU 809 Ca -0.03 0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 55.89 3b8h n LEU 809 Cb 0.12 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.71 3b8h n LEU 809 CO 0.25 0.02 0.17 -0.62 -1.33 0.00 0.00 177.39 175.88 3b8h s ASP 810 N -3.13 6.23 0.62 -1.43 2.15 -0.53 -4.91 116.67 115.66 3b8h s ASP 810 Ca 0.13 -0.56 0.34 0.00 0.43 0.00 0.00 52.55 52.89 3b8h s ASP 810 Cb 0.18 -2.24 1.94 0.00 -0.30 0.00 0.00 42.92 42.50 3b8h s ASP 810 CO 0.58 -0.61 2.21 -0.65 -0.17 0.00 0.00 175.17 176.54 3b8h h PRO 811 N 8.74 0.00 0.00 4.34 0.11 -1.83 -2.57 132.00 140.79 3b8h h PRO 811 Ca -0.26 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.55 3b8h h PRO 811 Cb 1.11 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3b8h h PRO 811 CO 0.81 0.00 -1.80 0.25 -0.21 0.00 0.00 178.00 177.05 3b8h n THR 812 N -3.51 1.55 -0.67 -1.15 -2.24 -1.26 -3.14 114.28 103.86 3b8h n THR 812 Ca -0.02 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.67 3b8h n THR 812 Cb 0.18 -0.93 0.21 0.00 -2.10 0.00 0.00 70.33 67.68 3b8h n THR 812 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3b8h s SER 813 N -5.98 2.00 0.09 3.42 1.04 -0.97 -4.62 113.70 108.68 3b8h s SER 813 Ca -0.05 1.80 -0.22 0.00 0.48 0.00 0.00 55.95 57.96 3b8h s SER 813 Cb 0.08 -2.41 -0.12 0.00 0.10 0.00 0.00 66.02 63.67 3b8h s SER 813 CO 0.83 -3.61 1.71 0.11 0.98 0.00 0.00 173.24 173.25 3b8h h LYS 814 N -2.22 0.12 -0.73 4.02 1.79 -1.89 0.42 116.57 118.08 3b8h h LYS 814 Ca -0.53 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 57.89 3b8h h LYS 814 Cb 1.30 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.89 3b8h h LYS 814 CO 0.47 0.13 0.30 0.00 -1.08 0.00 0.00 179.45 179.26 3b8h h ALA 815 N 0.98 1.14 -0.14 3.86 0.00 -1.85 -2.38 119.26 120.88 3b8h h ALA 815 Ca 0.03 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3b8h h ALA 815 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3b8h h ALA 815 CO -0.01 0.62 -0.52 0.78 0.00 0.00 0.00 179.25 180.12 3b8h h GLY 816 N 1.11 0.42 1.01 0.00 0.00 -1.46 -1.67 103.07 102.48 3b8h h GLY 816 Ca 0.25 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3b8h h GLY 816 CO -0.02 0.42 0.45 -2.09 0.00 0.00 0.00 176.54 175.30 3b8h h GLU 817 N 0.30 1.10 -0.28 4.80 4.81 0.11 -0.55 114.58 124.89 3b8h h GLU 817 Ca 0.01 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3b8h h GLU 817 Cb 1.02 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3b8h h GLU 817 CO 0.09 0.80 0.07 0.82 -0.73 0.00 0.00 179.01 180.07 3b8h h ILE 818 N 1.10 1.21 0.43 2.32 2.04 -1.22 -2.89 117.51 120.51 3b8h h ILE 818 Ca 0.28 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 3b8h h ILE 818 Cb 0.01 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3b8h h ILE 818 CO -0.05 0.23 -0.21 0.58 0.00 0.00 0.00 178.15 178.70 3b8h h VAL 819 N 0.28 0.57 -0.11 1.67 2.07 -0.93 -2.08 116.25 117.71 3b8h h VAL 819 Ca 0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 3b8h h VAL 819 Cb 0.28 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3b8h h VAL 819 CO 0.00 0.00 -0.16 0.25 0.02 0.00 0.00 177.57 177.68 3b8h h LEU 820 N -0.59 -0.48 -0.58 2.57 5.85 -1.17 0.23 115.31 121.13 3b8h h LEU 820 Ca -0.06 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.85 3b8h h LEU 820 Cb 0.45 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 3b8h h LEU 820 CO 0.10 -0.20 0.16 0.00 -0.34 0.00 0.00 178.44 178.16 3b8h h ALA 821 N 0.84 0.71 -0.26 1.25 0.00 -1.49 -0.18 119.26 120.12 3b8h h ALA 821 Ca 0.09 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3b8h h ALA 821 Cb 0.33 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3b8h h ALA 821 CO -0.23 -0.26 -0.06 0.00 0.00 0.00 0.00 179.25 178.69 3b8h h ALA 822 N 1.44 0.36 -0.63 0.00 0.00 -0.73 -1.33 119.26 118.37 3b8h h ALA 822 Ca 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3b8h h ALA 822 Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3b8h h ALA 822 CO -0.35 0.17 0.37 0.00 0.00 0.00 0.00 179.25 179.44 3b8h h ARG 823 N 0.26 0.87 0.05 0.00 3.08 -0.10 -0.50 114.38 118.05 3b8h h ARG 823 Ca 0.07 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3b8h h ARG 823 Cb 0.54 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3b8h h ARG 823 CO 0.03 0.64 -0.12 0.87 -1.07 0.00 0.00 179.97 180.32 3b8h h LYS 824 N 0.86 -0.22 -0.97 0.04 1.57 -1.02 0.81 116.57 117.65 3b8h h LYS 824 Ca 0.23 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.22 3b8h h LYS 824 Cb 0.01 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.28 3b8h h LYS 824 CO -0.04 -0.15 0.61 -0.09 -0.57 0.00 0.00 179.45 179.22 3b8h h ARG 825 N -0.23 0.57 -0.00 3.15 2.43 -0.59 0.28 114.38 120.00 3b8h h ARG 825 Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3b8h h ARG 825 Cb 0.25 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3b8h h ARG 825 CO -0.08 0.38 -0.25 0.72 -1.51 0.00 0.00 179.97 179.23 3b8h n HIS 826 N -4.63 0.00 -1.46 2.20 8.25 -0.26 -4.92 115.22 114.40 3b8h n HIS 826 Ca 0.22 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.66 3b8h n HIS 826 Cb 0.64 -0.29 -0.00 0.00 1.12 0.00 0.00 29.99 31.46 3b8h n HIS 826 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b8h n GLY 827 N 1.43 0.42 3.92 -1.41 0.00 1.00 -5.05 105.19 105.50 3b8h n GLY 827 Ca 0.09 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 3b8h n GLY 827 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3b8h s MET 828 N -2.94 2.15 0.10 1.61 -1.94 0.18 -5.01 119.30 113.45 3b8h s MET 828 Ca 0.00 -0.15 -0.31 0.00 -1.71 0.00 0.00 55.69 53.52 3b8h s MET 828 Cb 0.00 -2.12 -0.09 0.00 2.01 0.00 0.00 34.83 34.64 3b8h s MET 828 CO 0.00 -1.32 1.60 0.21 -0.01 0.00 0.00 175.02 175.51 3b8h s LYS 829 N -5.33 4.21 0.18 2.03 2.20 -1.26 -4.52 119.74 117.26 3b8h s LYS 829 Ca 0.60 2.31 -0.21 0.00 -0.36 0.00 0.00 55.97 58.31 3b8h s LYS 829 Cb -0.11 -3.45 0.12 0.00 -1.51 0.00 0.00 37.83 32.88 3b8h s LYS 829 CO 0.46 -0.67 1.59 0.93 -0.36 0.00 0.00 175.35 177.29 3b8h h GLU 830 N 7.78 -0.16 -6.71 4.03 5.08 -1.94 -3.40 114.58 119.25 3b8h h GLU 830 Ca -0.42 0.01 -0.51 0.00 -1.00 0.00 0.00 59.36 57.43 3b8h h GLU 830 Cb 1.20 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.50 3b8h h GLU 830 CO 0.92 -0.11 0.51 -1.83 -1.00 0.00 0.00 179.01 177.50 3b8h s GLU 831 N -5.99 4.57 0.18 2.33 1.03 -1.26 -4.75 118.70 114.82 3b8h s GLU 831 Ca -0.14 1.81 -0.31 0.00 0.03 0.00 0.00 54.97 56.36 3b8h s GLU 831 Cb 0.16 -3.23 -0.09 0.00 -0.80 0.00 0.00 34.13 30.16 3b8h s GLU 831 CO 0.69 0.06 1.45 0.08 -1.33 0.00 0.00 175.26 176.20 3b8h s VAL 832 N -0.48 2.89 0.54 1.83 1.01 -1.26 -4.97 120.40 119.96 3b8h s VAL 832 Ca 0.49 0.68 -0.22 0.00 0.00 0.00 0.00 61.98 62.94 3b8h s VAL 832 Cb -0.31 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 3b8h s VAL 832 CO 0.38 0.08 1.30 -0.81 0.00 0.00 0.00 175.10 176.05 3b8h n PRO 833 N 3.28 1.61 -1.86 2.72 -0.04 -1.26 -5.01 135.00 134.44 3b8h n PRO 833 Ca 0.10 0.59 -0.30 0.00 -0.04 0.00 0.00 63.50 63.85 3b8h n PRO 833 Cb 0.41 -2.50 0.06 0.00 -0.04 0.00 0.00 33.50 31.42 3b8h n PRO 833 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3b8h s GLY 834 N -0.92 1.62 0.53 0.55 0.00 -1.26 -4.95 107.32 102.89 3b8h s GLY 834 Ca 0.71 -0.39 0.26 0.00 0.00 0.00 0.00 44.72 45.30 3b8h s GLY 834 CO 0.50 0.00 2.10 0.11 0.00 0.00 0.00 173.10 175.82 3b8h h TRP 835 N -0.77 0.00 -0.65 1.90 5.08 -1.89 -2.51 115.95 117.11 3b8h h TRP 835 Ca -0.45 0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.55 3b8h h TRP 835 Cb 1.27 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.39 3b8h h TRP 835 CO 0.46 0.10 0.43 1.96 -1.28 0.00 0.00 178.44 180.11 3b8h h GLN 836 N 0.00 0.77 -0.99 0.12 7.50 -1.92 0.02 115.11 120.61 3b8h h GLN 836 Ca -0.00 -0.05 0.12 0.00 0.50 0.00 0.00 58.65 59.22 3b8h h GLN 836 Cb 0.26 -0.17 -0.08 0.00 0.05 0.00 0.00 27.48 27.53 3b8h h GLN 836 CO 0.01 0.51 0.62 0.93 -1.50 0.00 0.00 178.83 179.40 3b8h h GLU 837 N 0.79 0.96 0.00 1.46 5.08 -1.83 -2.78 114.58 118.27 3b8h h GLU 837 Ca 0.26 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3b8h h GLU 837 Cb 0.04 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3b8h h GLU 837 CO -0.07 0.64 -1.71 0.66 -1.00 0.00 0.00 179.01 177.52 3b8h n TYR 838 N -4.62 0.31 -0.92 4.33 4.02 -0.89 -4.91 117.16 114.47 3b8h n TYR 838 Ca 0.18 0.09 -0.31 0.00 -0.01 0.00 0.00 57.90 57.85 3b8h n TYR 838 Cb 0.34 -0.66 0.14 0.00 -0.02 0.00 0.00 39.34 39.13 3b8h n TYR 838 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3b8h s TYR 839 N -3.43 2.00 0.07 -0.72 5.04 -0.06 -4.44 117.35 115.82 3b8h s TYR 839 Ca -0.06 1.69 -0.33 0.00 -2.44 0.00 0.00 57.07 55.94 3b8h s TYR 839 Cb 0.12 -3.22 -0.12 0.00 0.35 0.00 0.00 41.96 39.09 3b8h s TYR 839 CO 0.87 -2.41 1.76 -3.47 -1.34 0.00 0.00 175.55 170.96 3b8h n ASP 840 N -3.96 3.52 -4.55 4.32 4.64 -0.26 -4.86 116.55 115.40 3b8h n ASP 840 Ca 0.11 1.02 -0.36 0.00 -1.38 0.00 0.00 54.79 54.17 3b8h n ASP 840 Cb 0.52 -1.45 -0.03 0.00 -1.04 0.00 0.00 41.12 39.12 3b8h n ASP 840 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3b8h s LYS 841 N 2.50 2.67 0.00 -0.67 -0.14 -1.26 -5.05 119.74 117.79 3b8h s LYS 841 Ca 0.84 0.30 0.00 0.00 -1.36 0.00 0.00 55.97 55.75 3b8h s LYS 841 Cb -0.62 -4.55 0.00 0.00 -1.68 0.00 0.00 37.83 30.98 3b8h s LYS 841 CO 0.42 -2.83 0.00 1.47 -0.76 0.00 0.00 175.35 173.65