#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 3.69 0.29 3.52 0.00 -1.26 -2.03 121.76 125.97 3b8h s ALA 3 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 51.79 3b8h s ALA 3 Cb 0.00 -2.40 -0.06 0.00 0.00 0.00 0.00 23.12 20.66 3b8h s ALA 3 CO 0.00 0.46 0.04 -0.06 0.00 0.00 0.00 175.76 176.20 3b8h s PHE 4 N -1.02 1.80 0.44 0.00 0.40 0.76 -4.90 117.98 115.47 3b8h s PHE 4 Ca 0.24 -0.97 0.02 0.00 -0.60 0.00 0.00 56.93 55.62 3b8h s PHE 4 Cb -0.17 -1.12 0.00 0.00 0.51 0.00 0.00 43.02 42.24 3b8h s PHE 4 CO 0.13 -0.04 0.65 0.95 0.70 0.00 0.00 175.22 177.61 3b8h s THR 5 N -3.38 3.85 0.07 0.64 -4.23 -1.26 -1.56 115.64 109.78 3b8h s THR 5 Ca 0.34 -0.61 0.30 0.00 -1.18 0.00 0.00 61.69 60.55 3b8h s THR 5 Cb 0.08 -3.41 0.30 0.00 1.34 0.00 0.00 72.50 70.81 3b8h s THR 5 CO 0.13 -0.26 1.92 0.58 -0.54 0.00 0.00 174.62 176.45 3b8h h VAL 6 N 0.45 0.00 0.05 2.29 2.07 -1.98 -2.04 116.25 117.09 3b8h h VAL 6 Ca -0.45 -0.05 -0.15 0.00 0.82 0.00 0.00 66.70 66.86 3b8h h VAL 6 Cb 1.26 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3b8h h VAL 6 CO 0.56 0.00 -0.75 0.44 0.02 0.00 0.00 177.57 177.84 3b8h h ASP 7 N 0.00 0.17 -0.54 0.57 3.32 -1.98 -2.53 116.42 115.43 3b8h h ASP 7 Ca 0.00 -0.85 0.07 0.00 0.02 0.00 0.00 57.03 56.27 3b8h h ASP 7 Cb 0.07 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 3b8h h ASP 7 CO 0.00 1.32 0.23 1.56 -1.72 0.00 0.00 179.24 180.63 3b8h h GLN 8 N -0.73 0.42 -0.42 3.56 4.20 -1.77 0.31 115.11 120.68 3b8h h GLN 8 Ca -0.17 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 3b8h h GLN 8 Cb 1.36 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 3b8h h GLN 8 CO -0.01 0.28 0.08 0.52 -0.67 0.00 0.00 178.83 179.04 3b8h h MET 9 N 0.43 0.68 0.39 1.46 2.86 -1.57 -2.43 114.93 116.76 3b8h h MET 9 Ca 0.26 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3b8h h MET 9 Cb 0.25 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3b8h h MET 9 CO -0.23 0.71 -0.29 -0.09 1.06 0.00 0.00 176.91 178.07 3b8h h ARG 10 N 0.55 -0.65 -0.18 1.72 9.65 -0.82 0.11 114.38 124.76 3b8h h ARG 10 Ca 0.13 0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.11 3b8h h ARG 10 Cb 0.35 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 3b8h h ARG 10 CO 0.01 -0.43 0.16 0.66 2.80 0.00 0.00 179.97 183.16 3b8h h SER 11 N -0.67 0.00 0.06 -3.80 4.64 -0.48 -1.39 113.55 111.91 3b8h h SER 11 Ca -0.03 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.04 3b8h h SER 11 Cb 0.58 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3b8h h SER 11 CO -0.00 0.00 -0.98 0.25 -0.87 0.00 0.00 176.83 175.23 3b8h h LEU 12 N 0.00 0.83 -1.98 5.97 5.85 -0.76 -3.21 115.31 122.01 3b8h h LEU 12 Ca 0.09 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 3b8h h LEU 12 Cb 0.40 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3b8h h LEU 12 CO -0.00 1.44 -0.11 0.24 -0.34 0.00 0.00 178.44 179.67 3b8h h MET 13 N 0.38 0.00 -0.44 1.25 2.86 0.32 -1.24 114.93 118.05 3b8h h MET 13 Ca -0.11 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 3b8h h MET 13 Cb 1.62 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.26 3b8h h MET 13 CO 0.19 0.11 -0.03 -0.44 1.06 0.00 0.00 176.91 177.79 3b8h h ASP 14 N 0.00 0.72 -0.18 1.22 3.32 -1.51 -3.30 116.42 116.70 3b8h h ASP 14 Ca -0.00 -0.18 -0.62 0.00 0.02 0.00 0.00 57.03 56.25 3b8h h ASP 14 Cb 0.26 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3b8h h ASP 14 CO 0.01 0.81 2.31 0.29 -1.72 0.00 0.00 179.24 180.95 3b8h n LYS 15 N -4.21 2.08 0.07 3.56 4.01 -0.47 -4.70 118.16 118.51 3b8h n LYS 15 Ca 0.02 -2.32 0.03 0.00 -0.51 0.00 0.00 58.31 55.52 3b8h n LYS 15 Cb 0.31 -3.22 0.40 0.00 -0.51 0.00 0.00 35.03 32.01 3b8h n LYS 15 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3b8h h VAL 16 N 4.76 1.15 0.00 -0.18 2.07 -1.78 -1.25 116.25 121.01 3b8h h VAL 16 Ca 0.43 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3b8h h VAL 16 Cb 0.73 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3b8h h VAL 16 CO 1.76 0.19 0.00 0.35 0.02 0.00 0.00 177.57 179.89 3b8h n THR 17 N -4.35 1.17 -0.77 2.57 -2.24 -1.26 -1.50 114.28 107.89 3b8h n THR 17 Ca 0.01 0.29 0.08 0.00 -2.27 0.00 0.00 64.05 62.15 3b8h n THR 17 Cb 0.19 -1.10 0.20 0.00 -2.10 0.00 0.00 70.33 67.52 3b8h n THR 17 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3b8h n ASN 18 N -1.47 3.33 -4.81 3.42 4.13 -0.48 -4.50 115.26 114.89 3b8h n ASN 18 Ca 0.03 -2.76 -0.36 0.00 1.68 0.00 0.00 54.58 53.17 3b8h n ASN 18 Cb 0.12 -0.43 -0.07 0.00 -1.54 0.00 0.00 39.78 37.86 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 -2.34 5.21 -0.30 2.41 1.01 -0.56 -0.99 120.40 124.83 3b8h s VAL 19 Ca 0.34 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.43 3b8h s VAL 19 Cb 0.26 -3.27 0.09 0.00 0.00 0.00 0.00 36.38 33.46 3b8h s VAL 19 CO 0.09 0.59 0.03 -0.13 0.00 0.00 0.00 175.10 175.67 3b8h s ARG 20 N -0.79 1.34 -0.16 2.72 1.81 0.24 -4.20 118.95 119.91 3b8h s ARG 20 Ca 0.13 -1.36 -0.15 0.00 -1.72 0.00 0.00 55.73 52.64 3b8h s ARG 20 Cb -0.12 -2.67 -0.04 0.00 -0.45 0.00 0.00 34.95 31.67 3b8h s ARG 20 CO 0.03 -0.83 0.32 -0.80 -0.68 0.00 0.00 175.30 173.34 3b8h s ASN 21 N 1.26 6.46 0.17 0.23 0.01 -1.26 0.07 114.94 121.87 3b8h s ASN 21 Ca 0.05 0.54 -0.24 0.00 -0.71 0.00 0.00 52.86 52.49 3b8h s ASN 21 Cb -0.18 -2.20 0.06 0.00 0.41 0.00 0.00 41.25 39.33 3b8h s ASN 21 CO -0.12 0.07 0.86 0.00 -1.51 0.00 0.00 177.10 176.39 3b8h s MET 22 N 0.60 1.31 0.42 -0.60 0.23 -0.84 -2.39 119.30 118.02 3b8h s MET 22 Ca 0.18 -0.68 0.04 0.00 -1.03 0.00 0.00 55.69 54.20 3b8h s MET 22 Cb -0.13 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.62 3b8h s MET 22 CO 0.05 -0.60 0.16 0.45 -2.03 0.00 0.00 175.02 173.06 3b8h s SER 23 N -2.86 2.80 -0.30 -1.18 0.15 -0.77 -1.42 113.70 110.12 3b8h s SER 23 Ca 0.10 -1.75 0.00 0.00 0.70 0.00 0.00 55.95 55.01 3b8h s SER 23 Cb -0.03 0.61 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 3b8h s SER 23 CO 0.01 -1.01 -0.02 -0.69 1.20 0.00 0.00 173.24 172.73 3b8h s VAL 24 N -3.19 2.64 -0.55 4.45 1.01 -1.26 -0.53 120.40 122.98 3b8h s VAL 24 Ca 0.24 -1.64 -0.24 0.00 0.00 0.00 0.00 61.98 60.34 3b8h s VAL 24 Cb 0.01 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.83 3b8h s VAL 24 CO 0.16 -0.18 0.93 -0.63 0.00 0.00 0.00 175.10 175.38 3b8h s ILE 25 N 1.15 4.41 -0.23 2.22 1.01 0.13 -4.85 121.20 125.05 3b8h s ILE 25 Ca -0.04 0.26 -0.27 0.00 0.00 0.00 0.00 60.65 60.60 3b8h s ILE 25 Cb -0.20 -4.53 0.13 0.00 0.01 0.00 0.00 42.46 37.87 3b8h s ILE 25 CO -0.03 -1.09 1.03 0.00 0.00 0.00 0.00 174.94 174.84 3b8h s ALA 26 N 3.88 -1.96 0.33 9.38 0.00 -1.26 -0.85 121.76 131.28 3b8h s ALA 26 Ca 0.30 1.75 -0.29 0.00 0.00 0.00 0.00 51.96 53.72 3b8h s ALA 26 Cb -0.13 -1.15 -0.10 0.00 0.00 0.00 0.00 23.12 21.74 3b8h s ALA 26 CO 0.19 -0.26 1.28 -1.58 0.00 0.00 0.00 175.76 175.39 3b8h s HIS 27 N -0.32 3.11 0.63 0.00 2.46 -1.26 -4.89 115.29 115.02 3b8h s HIS 27 Ca 0.01 1.45 0.33 0.00 0.47 0.00 0.00 55.06 57.33 3b8h s HIS 27 Cb -0.03 -3.63 1.86 0.00 -0.13 0.00 0.00 32.58 30.64 3b8h s HIS 27 CO -0.03 -1.70 2.12 -0.39 -2.47 0.00 0.00 174.74 172.27 3b8h h VAL 28 N 3.04 0.21 -0.55 0.89 -1.51 -1.95 -0.03 116.25 116.35 3b8h h VAL 28 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3b8h h VAL 28 Cb 1.22 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 3b8h h VAL 28 CO 0.66 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.47 3b8h n ASP 29 N -3.35 4.75 -0.90 4.19 8.00 -1.26 -3.98 116.55 124.00 3b8h n ASP 29 Ca -0.01 -2.60 0.03 0.00 0.71 0.00 0.00 54.79 52.92 3b8h n ASP 29 Cb 0.28 -0.61 0.21 0.00 -0.02 0.00 0.00 41.12 40.99 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 0.79 0.85 -2.36 1.24 8.25 -0.02 -4.94 115.22 119.03 3b8h n HIS 30 Ca 0.24 -1.27 -0.11 0.00 -0.26 0.00 0.00 57.72 56.32 3b8h n HIS 30 Cb 0.95 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 -0.95 -0.04 0.05 -1.41 0.00 -1.26 -4.72 105.19 96.87 3b8h n GLY 31 Ca 0.26 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.25 0.05 -0.24 1.61 3.64 -1.74 -0.23 116.57 119.41 3b8h h LYS 32 Ca -0.27 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.96 3b8h h LYS 32 Cb 1.19 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3b8h h LYS 32 CO 0.30 0.05 -0.47 0.66 -2.27 0.00 0.00 179.45 177.73 3b8h h SER 33 N 0.03 0.69 1.04 4.20 4.64 -1.90 -2.35 113.55 119.90 3b8h h SER 33 Ca 0.01 -0.34 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 3b8h h SER 33 Cb 0.01 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 3b8h h SER 33 CO -0.00 1.05 -0.22 0.74 -0.87 0.00 0.00 176.83 177.53 3b8h h THR 34 N 0.51 0.52 0.06 2.95 2.02 -1.91 -1.62 112.91 115.44 3b8h h THR 34 Ca 0.03 -1.18 -0.27 0.00 0.77 0.00 0.00 66.41 65.76 3b8h h THR 34 Cb 1.01 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 3b8h h THR 34 CO 0.09 0.22 -1.37 -0.07 0.37 0.00 0.00 175.52 174.76 3b8h h LEU 35 N 0.00 0.21 -0.28 2.58 3.38 -0.94 -3.28 115.31 116.99 3b8h h LEU 35 Ca -0.00 -0.28 -0.20 0.00 0.09 0.00 0.00 57.88 57.49 3b8h h LEU 35 Cb 0.81 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3b8h h LEU 35 CO 0.03 1.23 -0.62 0.71 0.09 0.00 0.00 178.44 179.88 3b8h h THR 36 N 0.04 1.28 0.00 0.22 1.35 -1.23 -2.85 112.91 111.72 3b8h h THR 36 Ca -0.17 -1.82 -0.00 0.00 -0.55 0.00 0.00 66.41 63.87 3b8h h THR 36 Cb 1.94 1.75 -0.00 0.00 -1.73 0.00 0.00 68.15 70.11 3b8h h THR 36 CO 0.14 0.59 -0.01 0.44 -0.25 0.00 0.00 175.52 176.43 3b8h h ASP 37 N 0.61 0.00 0.06 5.36 3.32 -1.43 -2.52 116.42 121.82 3b8h h ASP 37 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3b8h h ASP 37 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3b8h h ASP 37 CO 0.13 0.01 -0.03 -1.28 -1.72 0.00 0.00 179.24 176.35 3b8h h SER 38 N 0.00 -0.06 0.90 6.45 0.87 -1.56 -1.66 113.55 118.48 3b8h h SER 38 Ca -0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 3b8h h SER 38 Cb 0.11 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3b8h h SER 38 CO 0.00 0.48 0.00 -0.07 -0.53 0.00 0.00 176.83 176.71 3b8h h LEU 39 N -0.63 0.00 0.20 2.23 4.07 -1.51 -2.82 115.31 116.85 3b8h h LEU 39 Ca -0.01 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.62 3b8h h LEU 39 Cb 0.55 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.31 3b8h h LEU 39 CO 0.01 0.00 -1.55 0.58 -1.08 0.00 0.00 178.44 176.40 3b8h h VAL 40 N 0.00 1.18 -0.06 1.22 2.07 -1.43 0.73 116.25 119.95 3b8h h VAL 40 Ca 0.00 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.82 3b8h h VAL 40 Cb 0.45 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3b8h h VAL 40 CO 0.00 0.84 0.00 0.00 0.02 0.00 0.00 177.57 178.43 3b8h n GLN 41 N -3.62 1.30 0.06 1.57 6.02 -0.63 -1.55 117.38 120.54 3b8h n GLN 41 Ca -0.18 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 3b8h n GLN 41 Cb 1.08 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.97 3b8h n GLN 41 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3b8h n ARG 42 N -0.07 0.00 -0.29 -1.09 3.00 -1.09 -4.86 116.66 112.26 3b8h n ARG 42 Ca 0.03 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.95 3b8h n ARG 42 Cb 0.23 -0.21 0.21 0.00 0.00 0.00 0.00 32.46 32.69 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 -3.13 2.44 -1.66 5.13 0.00 0.24 -4.93 120.51 118.60 3b8h n ALA 43 Ca 0.00 -1.43 -0.48 0.00 0.00 0.00 0.00 53.44 51.54 3b8h n ALA 43 Cb 0.10 -0.58 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 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 0.47 1.02 3.37 0.00 0.00 -0.59 -0.88 105.19 108.58 3b8h n GLY 44 Ca 0.16 0.69 -0.38 0.00 0.00 0.00 0.00 46.02 46.49 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 1.23 4.20 0.28 -0.61 -1.09 -0.46 -3.57 121.20 121.18 3b8h s ILE 45 Ca 0.82 -0.65 0.06 0.00 -2.23 0.00 0.00 60.65 58.65 3b8h s ILE 45 Cb -0.75 -3.18 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 3b8h s ILE 45 CO 0.42 0.04 0.32 -0.63 -1.23 0.00 0.00 174.94 173.86 3b8h s ILE 46 N 1.53 4.48 0.67 2.92 1.09 -0.86 -4.78 121.20 126.25 3b8h s ILE 46 Ca 0.03 -1.18 0.01 0.00 -1.10 0.00 0.00 60.65 58.41 3b8h s ILE 46 Cb -0.17 -3.52 0.11 0.00 -1.06 0.00 0.00 42.46 37.82 3b8h s ILE 46 CO 0.04 -0.27 0.93 -0.94 -0.10 0.00 0.00 174.94 174.59 3b8h s SER 47 N -3.98 4.61 -0.32 3.58 1.04 -1.26 -0.17 113.70 117.20 3b8h s SER 47 Ca 0.37 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.48 3b8h s SER 47 Cb -0.08 -0.10 0.46 0.00 0.10 0.00 0.00 66.02 66.39 3b8h s SER 47 CO 0.28 -1.66 1.29 0.00 0.98 0.00 0.00 173.24 174.13 3b8h n ALA 48 N -2.66 4.98 0.00 5.32 0.00 -0.60 -4.51 120.51 123.04 3b8h n ALA 48 Ca 0.14 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.90 3b8h n ALA 48 Cb 0.61 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.79 0.88 3.15 0.00 0.00 -1.26 -5.01 105.19 102.16 3b8h n GLY 67 Ca 0.43 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 1.46 -0.07 -0.61 -1.09 -1.26 -4.95 121.20 114.68 3b8h s ILE 68 Ca 0.00 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.70 3b8h s ILE 68 Cb 0.00 -1.24 -0.02 0.00 -1.58 0.00 0.00 42.46 39.62 3b8h s ILE 68 CO 0.00 0.42 -0.14 0.42 -1.23 0.00 0.00 174.94 174.41 3b8h s THR 69 N -0.11 3.08 0.47 2.92 -4.23 -1.26 -4.11 115.64 112.40 3b8h s THR 69 Ca -0.00 -0.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 3b8h s THR 69 Cb -0.10 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 3b8h s THR 69 CO 0.01 0.58 0.04 0.27 -0.54 0.00 0.00 174.62 174.98 3b8h s ILE 70 N -0.48 1.61 -0.27 2.99 -4.36 0.86 -0.96 121.20 120.58 3b8h s ILE 70 Ca 0.06 -1.94 -0.24 0.00 -0.26 0.00 0.00 60.65 58.26 3b8h s ILE 70 Cb -0.12 -2.56 -0.00 0.00 1.25 0.00 0.00 42.46 41.03 3b8h s ILE 70 CO 0.02 0.00 0.83 -0.75 0.24 0.00 0.00 174.94 175.28 3b8h s LYS 71 N -3.84 4.09 -0.34 0.37 2.36 -1.16 -4.51 119.74 116.71 3b8h s LYS 71 Ca 0.22 0.81 -0.40 0.00 -2.55 0.00 0.00 55.97 54.05 3b8h s LYS 71 Cb 0.05 -3.68 -0.16 0.00 -1.05 0.00 0.00 37.83 32.99 3b8h s LYS 71 CO 0.11 -0.61 1.87 0.43 1.55 0.00 0.00 175.35 178.71 3b8h n SER 72 N 6.15 2.06 0.00 1.43 7.64 -1.21 -4.80 113.62 124.88 3b8h n SER 72 Ca 0.05 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.84 3b8h n SER 72 Cb 0.48 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 3b8h n SER 72 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3b8h n THR 73 N 5.29 0.00 -3.76 0.44 -1.04 -1.25 -4.93 114.28 109.03 3b8h n THR 73 Ca 0.33 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.21 3b8h n THR 73 Cb 0.11 -0.83 -0.10 0.00 -1.82 0.00 0.00 70.33 67.69 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 -1.87 -0.81 -0.03 2.41 0.00 -1.25 0.50 121.76 120.71 3b8h s ALA 74 Ca 0.00 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.73 3b8h s ALA 74 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3b8h s ALA 74 CO 0.00 -0.20 -0.25 0.42 0.00 0.00 0.00 175.76 175.73 3b8h s ILE 75 N -0.42 2.11 -0.21 0.00 -1.09 -0.90 -1.38 121.20 119.30 3b8h s ILE 75 Ca -0.05 -1.08 -0.16 0.00 -2.23 0.00 0.00 60.65 57.13 3b8h s ILE 75 Cb -0.04 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 3b8h s ILE 75 CO 0.02 0.58 0.39 -0.44 -1.23 0.00 0.00 174.94 174.26 3b8h s SER 76 N -0.54 6.41 -0.01 3.58 0.01 -1.26 -0.75 113.70 121.13 3b8h s SER 76 Ca 0.08 0.48 0.07 0.00 1.31 0.00 0.00 55.95 57.89 3b8h s SER 76 Cb -0.11 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 3b8h s SER 76 CO -0.00 -0.09 -0.22 -0.76 0.41 0.00 0.00 173.24 172.57 3b8h s LEU 77 N 1.44 2.30 -0.11 2.44 1.02 -0.09 -1.35 118.68 124.32 3b8h s LEU 77 Ca 0.18 -0.41 0.04 0.00 0.02 0.00 0.00 54.13 53.96 3b8h s LEU 77 Cb -0.15 -1.41 0.00 0.00 0.02 0.00 0.00 46.19 44.66 3b8h s LEU 77 CO 0.08 0.31 -0.23 -0.47 0.02 0.00 0.00 176.35 176.06 3b8h s TYR 78 N -0.70 2.59 -0.00 0.29 5.04 -0.06 -0.73 117.35 123.77 3b8h s TYR 78 Ca 0.11 -1.14 -0.01 0.00 -2.44 0.00 0.00 57.07 53.60 3b8h s TYR 78 Cb -0.10 -1.74 0.00 0.00 0.35 0.00 0.00 41.96 40.47 3b8h s TYR 78 CO 0.00 -0.48 0.02 0.45 -1.34 0.00 0.00 175.55 174.20 3b8h s SER 79 N 0.48 -0.00 -0.08 4.32 0.15 -1.08 -4.59 113.70 112.90 3b8h s SER 79 Ca -0.15 -0.00 0.05 0.00 0.70 0.00 0.00 55.95 56.54 3b8h s SER 79 Cb -0.17 0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.18 3b8h s SER 79 CO 0.06 -0.03 -0.23 -0.70 1.20 0.00 0.00 173.24 173.54 3b8h s GLU 80 N -0.09 2.65 0.00 5.44 2.12 -1.26 -0.77 118.70 126.79 3b8h s GLU 80 Ca -0.01 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.50 3b8h s GLU 80 Cb -0.01 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.28 3b8h s GLU 80 CO -0.00 0.23 0.00 -1.33 -0.54 0.00 0.00 175.26 173.62 3b8h n MET 81 N 3.33 1.40 -4.21 4.30 2.81 -0.38 -5.02 117.12 119.35 3b8h n MET 81 Ca -0.19 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.46 3b8h n MET 81 Cb 0.53 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.96 3b8h n MET 81 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3b8h s SER 82 N -0.99 4.37 0.40 7.83 1.04 -1.26 -4.81 113.70 120.28 3b8h s SER 82 Ca 0.00 -1.01 0.27 0.00 0.48 0.00 0.00 55.95 55.69 3b8h s SER 82 Cb 0.00 -0.54 1.43 0.00 0.10 0.00 0.00 66.02 67.01 3b8h s SER 82 CO 0.00 -0.41 1.83 0.44 0.98 0.00 0.00 173.24 176.08 3b8h h ASP 83 N 1.57 0.00 0.25 7.02 5.19 -1.98 0.18 116.42 128.65 3b8h h ASP 83 Ca -0.43 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.64 3b8h h ASP 83 Cb 1.25 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.73 3b8h h ASP 83 CO 0.68 0.00 -1.94 -0.62 -3.12 0.00 0.00 179.24 174.25 3b8h n GLU 84 N -2.46 0.70 0.15 3.56 -0.58 -1.26 -3.59 120.64 117.16 3b8h n GLU 84 Ca -0.01 0.26 -0.00 0.00 -0.42 0.00 0.00 57.16 56.98 3b8h n GLU 84 Cb 0.07 -1.72 0.20 0.00 -0.57 0.00 0.00 31.44 29.43 3b8h n GLU 84 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3b8h h ASP 85 N 0.04 0.00 1.11 1.62 3.32 -1.53 -2.31 116.42 118.66 3b8h h ASP 85 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3b8h h ASP 85 Cb 2.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.58 3b8h h ASP 85 CO 0.07 0.57 0.00 0.58 -1.72 0.00 0.00 179.24 178.75 3b8h h VAL 86 N 0.00 0.00 0.00 -1.35 2.07 -0.86 -2.83 116.25 113.27 3b8h h VAL 86 Ca -0.01 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3b8h h VAL 86 Cb 1.04 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3b8h h VAL 86 CO 0.07 0.00 -1.25 0.29 0.02 0.00 0.00 177.57 176.70 3b8h n LYS 87 N -2.43 0.62 -0.03 1.57 4.76 -0.91 -4.33 118.16 117.40 3b8h n LYS 87 Ca 0.03 0.10 -0.14 0.00 -2.87 0.00 0.00 58.31 55.43 3b8h n LYS 87 Cb 0.33 -1.78 -0.10 0.00 -1.84 0.00 0.00 35.03 31.64 3b8h n LYS 87 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3b8h h GLU 88 N 0.00 0.18 -6.02 1.97 5.08 -1.20 -3.43 114.58 111.17 3b8h h GLU 88 Ca -0.05 -0.13 -0.64 0.00 -1.00 0.00 0.00 59.36 57.54 3b8h h GLU 88 Cb 1.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3b8h h GLU 88 CO 0.01 0.75 1.41 -0.89 -1.00 0.00 0.00 179.01 179.30 3b8h n ILE 89 N -4.61 0.29 0.30 3.13 5.41 -1.21 -4.78 119.36 117.88 3b8h n ILE 89 Ca -0.08 -0.32 0.16 0.00 1.00 0.00 0.00 62.75 63.51 3b8h n ILE 89 Cb 0.39 -2.01 0.80 0.00 -0.71 0.00 0.00 39.64 38.12 3b8h n ILE 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3b8h h LYS 90 N 13.04 0.00 -7.18 0.38 1.63 -1.84 -3.42 116.57 119.17 3b8h h LYS 90 Ca -0.35 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 58.96 3b8h h LYS 90 Cb 1.29 0.00 0.06 0.00 -0.60 0.00 0.00 32.23 32.98 3b8h h LYS 90 CO 0.99 0.00 0.38 -1.14 -3.45 0.00 0.00 179.45 176.23 3b8h s GLN 91 N -4.17 3.36 -0.28 1.90 0.74 -1.26 -5.00 119.66 114.94 3b8h s GLN 91 Ca -0.03 1.23 -0.29 0.00 0.05 0.00 0.00 55.36 56.32 3b8h s GLN 91 Cb 0.10 -2.04 0.01 0.00 1.10 0.00 0.00 33.01 32.18 3b8h s GLN 91 CO 0.31 -0.78 1.10 0.21 -0.55 0.00 0.00 175.29 175.58 3b8h s LYS 92 N -3.98 4.12 0.45 1.67 2.20 -1.26 -5.02 119.74 117.92 3b8h s LYS 92 Ca 0.64 1.21 0.03 0.00 -0.36 0.00 0.00 55.97 57.49 3b8h s LYS 92 Cb -0.16 -3.73 -0.02 0.00 -1.51 0.00 0.00 37.83 32.41 3b8h s LYS 92 CO 0.35 -0.83 0.06 0.95 -0.36 0.00 0.00 175.35 175.52 3b8h s THR 93 N 3.58 0.96 -0.29 3.43 -4.23 -1.26 -4.77 115.64 113.06 3b8h s THR 93 Ca 0.47 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.01 3b8h s THR 93 Cb -0.14 -2.31 0.18 0.00 1.34 0.00 0.00 72.50 71.56 3b8h s THR 93 CO 0.13 0.00 0.48 -0.62 -0.54 0.00 0.00 174.62 174.07 3b8h s ASP 94 N -3.73 -0.39 0.00 3.99 2.15 -1.26 -5.02 116.67 112.41 3b8h s ASP 94 Ca 0.16 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.95 3b8h s ASP 94 Cb 0.03 1.46 0.00 0.00 -0.30 0.00 0.00 42.92 44.11 3b8h s ASP 94 CO 0.09 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 3b8h n GLY 95 N 5.35 -1.11 0.01 2.66 0.00 -1.26 -4.72 105.19 106.12 3b8h n GLY 95 Ca 0.03 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 0.39 -4.72 1.61 3.02 -1.26 -4.90 115.26 109.40 3b8h n ASN 96 Ca 0.00 -0.69 -0.37 0.00 -0.03 0.00 0.00 54.58 53.49 3b8h n ASN 96 Cb 0.00 0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 39.77 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 -0.76 6.48 -0.16 6.41 0.01 -1.26 -1.25 113.70 123.17 3b8h s SER 97 Ca 0.01 0.56 0.01 0.00 1.31 0.00 0.00 55.95 57.84 3b8h s SER 97 Cb 0.01 -2.21 0.02 0.00 0.21 0.00 0.00 66.02 64.05 3b8h s SER 97 CO 0.03 0.05 -0.17 -0.36 0.41 0.00 0.00 173.24 173.20 3b8h s PHE 98 N 0.64 2.47 0.19 2.43 0.08 0.05 -4.79 117.98 119.05 3b8h s PHE 98 Ca 0.19 -1.41 -0.29 0.00 0.12 0.00 0.00 56.93 55.53 3b8h s PHE 98 Cb -0.14 -1.75 -0.08 0.00 -0.57 0.00 0.00 43.02 40.48 3b8h s PHE 98 CO 0.06 -0.72 0.90 -1.17 -0.10 0.00 0.00 175.22 174.19 3b8h s LEU 99 N 1.33 4.60 -0.26 -0.37 2.96 -0.16 -2.62 118.68 124.15 3b8h s LEU 99 Ca 0.04 1.83 -0.00 0.00 -0.22 0.00 0.00 54.13 55.77 3b8h s LEU 99 Cb -0.13 -3.52 0.08 0.00 0.50 0.00 0.00 46.19 43.11 3b8h s LEU 99 CO -0.11 0.11 0.02 -0.63 -1.32 0.00 0.00 176.35 174.43 3b8h s ILE 100 N -0.86 1.19 -0.30 6.68 1.01 0.09 0.80 121.20 129.82 3b8h s ILE 100 Ca 0.41 -1.25 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 3b8h s ILE 100 Cb -0.25 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.54 3b8h s ILE 100 CO 0.30 -0.35 0.83 0.20 0.00 0.00 0.00 174.94 175.92 3b8h s ASN 101 N 1.51 6.73 -0.91 3.58 0.01 0.11 -0.91 114.94 125.06 3b8h s ASN 101 Ca 0.02 0.78 -0.11 0.00 -0.71 0.00 0.00 52.86 52.84 3b8h s ASN 101 Cb -0.18 -2.43 0.24 0.00 0.41 0.00 0.00 41.25 39.29 3b8h s ASN 101 CO -0.13 -0.63 0.86 -0.22 -1.51 0.00 0.00 177.10 175.48 3b8h s LEU 102 N 3.02 6.51 -0.20 0.60 2.96 0.07 -1.99 118.68 129.65 3b8h s LEU 102 Ca 0.34 -3.04 -0.29 0.00 -0.22 0.00 0.00 54.13 50.93 3b8h s LEU 102 Cb -0.14 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 3b8h s LEU 102 CO 0.12 -0.45 1.50 -0.63 -1.32 0.00 0.00 176.35 175.56 3b8h s ILE 103 N -0.37 3.87 0.55 6.68 1.09 -0.51 -2.12 121.20 130.39 3b8h s ILE 103 Ca 0.22 1.01 -0.21 0.00 -1.10 0.00 0.00 60.65 60.57 3b8h s ILE 103 Cb -0.10 -3.81 -0.05 0.00 -1.06 0.00 0.00 42.46 37.43 3b8h s ILE 103 CO -0.09 -0.26 1.20 -0.67 -0.10 0.00 0.00 174.94 175.02 3b8h n ASP 104 N 7.75 1.90 -4.23 3.58 2.03 0.18 -4.34 116.55 123.42 3b8h n ASP 104 Ca 0.17 0.92 -0.26 0.00 0.52 0.00 0.00 54.79 56.15 3b8h n ASP 104 Cb 0.45 -1.49 -0.15 0.00 -0.72 0.00 0.00 41.12 39.21 3b8h n ASP 104 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3b8h s SER 105 N -1.02 2.38 1.04 1.67 0.15 -1.26 -4.88 113.70 111.77 3b8h s SER 105 Ca 0.73 -0.45 -0.12 0.00 0.70 0.00 0.00 55.95 56.80 3b8h s SER 105 Cb -0.43 -0.22 0.18 0.00 -1.71 0.00 0.00 66.02 63.84 3b8h s SER 105 CO 0.49 0.19 0.88 -2.65 1.20 0.00 0.00 173.24 173.35 3b8h n PRO 106 N 2.16 -1.32 -0.06 5.44 -0.02 -1.26 -5.00 135.00 134.94 3b8h n PRO 106 Ca -0.16 -0.34 -0.04 0.00 -2.02 0.00 0.00 63.50 60.94 3b8h n PRO 106 Cb 0.53 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 3b8h n PRO 106 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3b8h h GLY 107 N -2.17 0.00 -2.76 -1.23 0.00 -2.00 -3.47 103.07 91.44 3b8h h GLY 107 Ca -0.51 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.33 3b8h h GLY 107 CO 0.43 0.00 0.14 0.30 0.00 0.00 0.00 176.54 177.41 3b8h s HIS 108 N -1.87 3.37 -1.42 5.60 3.76 -1.26 -4.62 115.29 118.85 3b8h s HIS 108 Ca -0.08 1.29 0.29 0.00 -0.15 0.00 0.00 55.06 56.41 3b8h s HIS 108 Cb 0.01 -2.59 1.32 0.00 1.11 0.00 0.00 32.58 32.42 3b8h s HIS 108 CO 0.17 0.06 1.93 0.28 -0.85 0.00 0.00 174.74 176.34 3b8h n VAL 109 N -0.40 0.00 0.18 -0.90 0.31 -1.26 -3.16 118.33 113.11 3b8h n VAL 109 Ca 0.04 -0.02 0.06 0.00 -0.01 0.00 0.00 64.34 64.41 3b8h n VAL 109 Cb 0.53 -0.31 0.29 0.00 -0.91 0.00 0.00 33.84 33.43 3b8h n VAL 109 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3b8h n ASP 110 N -1.21 0.25 -1.56 4.52 8.00 -1.26 -1.82 116.55 123.46 3b8h n ASP 110 Ca 0.13 0.60 -0.10 0.00 0.71 0.00 0.00 54.79 56.12 3b8h n ASP 110 Cb 0.27 -0.64 0.06 0.00 -0.02 0.00 0.00 41.12 40.80 3b8h n ASP 110 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3b8h n PHE 111 N -1.81 1.23 -0.25 1.24 3.72 -1.19 -4.73 117.46 115.67 3b8h n PHE 111 Ca 0.00 -1.21 0.01 0.00 -0.05 0.00 0.00 57.45 56.20 3b8h n PHE 111 Cb 0.07 -0.61 0.05 0.00 -0.94 0.00 0.00 39.48 38.05 3b8h n PHE 111 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3b8h n SER 112 N 0.01 -0.37 0.06 4.37 7.64 -0.76 -1.39 113.62 123.18 3b8h n SER 112 Ca 0.24 1.17 -0.07 0.00 1.01 0.00 0.00 58.87 61.22 3b8h n SER 112 Cb 0.87 -0.30 -0.04 0.00 -1.01 0.00 0.00 64.21 63.73 3b8h n SER 112 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3b8h h SER 113 N 0.00 -0.68 0.65 6.43 4.64 -1.89 -1.16 113.55 121.54 3b8h h SER 113 Ca 0.27 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3b8h h SER 113 Cb 0.44 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3b8h h SER 113 CO -0.68 -0.25 0.00 1.05 -0.87 0.00 0.00 176.83 176.08 3b8h h GLU 114 N -0.34 0.00 -0.23 4.77 4.11 -1.74 -1.87 114.58 119.28 3b8h h GLU 114 Ca -0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.28 3b8h h GLU 114 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3b8h h GLU 114 CO -0.11 0.00 -0.41 0.28 0.07 0.00 0.00 179.01 178.84 3b8h h VAL 115 N 0.00 1.31 0.00 -1.06 2.07 -0.62 -2.49 116.25 115.47 3b8h h VAL 115 Ca 0.00 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3b8h h VAL 115 Cb 0.33 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3b8h h VAL 115 CO 0.00 0.51 0.00 0.74 0.02 0.00 0.00 177.57 178.84 3b8h h THR 116 N 0.40 0.00 0.32 2.57 2.02 -0.41 -2.63 112.91 115.19 3b8h h THR 116 Ca 0.01 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 3b8h h THR 116 Cb 1.01 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3b8h h THR 116 CO 0.09 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.83 3b8h h ALA 117 N 2.10 -0.50 0.00 6.16 0.00 -1.12 -0.48 119.26 125.41 3b8h h ALA 117 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3b8h h ALA 117 Cb 0.34 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3b8h h ALA 117 CO 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.78 3b8h n ALA 118 N -2.61 1.13 -0.11 0.00 0.00 -0.98 -2.13 120.51 115.81 3b8h n ALA 118 Ca -0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 3b8h n ALA 118 Cb 0.17 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 3b8h n ALA 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3b8h n LEU 119 N -1.44 1.87 0.19 0.00 7.94 -1.00 -3.85 117.00 120.72 3b8h n LEU 119 Ca 0.00 0.42 0.14 0.00 -1.11 0.00 0.00 56.01 55.47 3b8h n LEU 119 Cb 0.02 -0.94 0.69 0.00 0.53 0.00 0.00 43.42 43.72 3b8h n LEU 119 CO 0.01 0.26 0.90 -0.09 -1.11 0.00 0.00 177.39 177.37 3b8h h ARG 120 N -1.00 0.00 0.00 1.96 2.43 -0.54 -2.28 114.38 114.95 3b8h h ARG 120 Ca -0.37 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.71 3b8h h ARG 120 Cb 1.29 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 3b8h h ARG 120 CO -0.22 0.00 -1.68 1.33 -1.51 0.00 0.00 179.97 177.88 3b8h n VAL 121 N -2.44 0.61 -2.93 0.20 0.24 -1.10 -4.98 118.33 107.95 3b8h n VAL 121 Ca -0.01 -0.61 -0.20 0.00 -2.04 0.00 0.00 64.34 61.49 3b8h n VAL 121 Cb 0.08 -0.31 0.05 0.00 -1.47 0.00 0.00 33.84 32.19 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 -3.20 2.43 -0.01 3.34 -4.23 -0.86 -4.98 115.64 108.13 3b8h s THR 122 Ca -0.05 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 3b8h s THR 122 Cb 0.11 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.44 3b8h s THR 122 CO 0.85 0.00 0.74 -0.90 -0.54 0.00 0.00 174.62 174.76 3b8h n ASP 123 N -2.23 0.28 -3.64 3.99 5.75 -1.14 -4.92 116.55 114.64 3b8h n ASP 123 Ca 0.13 -1.51 -0.10 0.00 -0.01 0.00 0.00 54.79 53.29 3b8h n ASP 123 Cb 0.61 -0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 40.57 3b8h n ASP 123 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3b8h s GLY 124 N -0.55 -0.26 -0.09 6.12 0.00 -1.01 -3.23 107.32 108.31 3b8h s GLY 124 Ca 0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 44.72 44.44 3b8h s GLY 124 CO 0.00 -0.27 0.58 0.00 0.00 0.00 0.00 173.10 173.41 3b8h s ALA 125 N -3.81 -1.48 -0.40 3.20 0.00 -0.70 -1.85 121.76 116.72 3b8h s ALA 125 Ca 0.04 1.19 -0.08 0.00 0.00 0.00 0.00 51.96 53.11 3b8h s ALA 125 Cb 0.01 -0.23 0.08 0.00 0.00 0.00 0.00 23.12 22.98 3b8h s ALA 125 CO -0.11 -0.32 0.22 -1.17 0.00 0.00 0.00 175.76 174.38 3b8h s LEU 126 N -0.84 5.00 -0.89 0.00 2.96 0.32 -1.44 118.68 123.79 3b8h s LEU 126 Ca -0.09 -1.52 -0.22 0.00 -0.22 0.00 0.00 54.13 52.08 3b8h s LEU 126 Cb -0.02 -1.94 0.07 0.00 0.50 0.00 0.00 46.19 44.80 3b8h s LEU 126 CO 0.06 -0.50 1.24 -0.69 -1.32 0.00 0.00 176.35 175.15 3b8h s VAL 127 N 1.38 4.20 -0.72 1.68 1.01 0.32 0.23 120.40 128.49 3b8h s VAL 127 Ca 0.03 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 3b8h s VAL 127 Cb -0.22 -4.89 0.07 0.00 0.00 0.00 0.00 36.38 31.34 3b8h s VAL 127 CO 0.01 -1.71 1.07 -0.69 0.00 0.00 0.00 175.10 173.78 3b8h s VAL 128 N 4.25 4.22 0.39 2.92 1.01 -0.03 -0.92 120.40 132.24 3b8h s VAL 128 Ca 0.36 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.05 3b8h s VAL 128 Cb -0.06 -4.76 0.00 0.00 0.00 0.00 0.00 36.38 31.56 3b8h s VAL 128 CO -0.02 -1.57 0.55 -0.69 0.00 0.00 0.00 175.10 173.36 3b8h s VAL 129 N 4.31 3.65 0.36 2.92 1.01 -0.03 -4.38 120.40 128.24 3b8h s VAL 129 Ca 0.27 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3b8h s VAL 129 Cb -0.13 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3b8h s VAL 129 CO 0.08 -0.12 0.54 -0.62 0.00 0.00 0.00 175.10 174.98 3b8h s ASP 130 N -4.25 6.11 -0.10 3.32 2.15 -1.23 0.03 116.67 122.69 3b8h s ASP 130 Ca 0.49 0.24 -0.21 0.00 0.43 0.00 0.00 52.55 53.50 3b8h s ASP 130 Cb -0.10 -1.72 -0.27 0.00 -0.30 0.00 0.00 42.92 40.53 3b8h s ASP 130 CO 0.33 -0.40 0.66 0.74 -0.17 0.00 0.00 175.17 176.33 3b8h h THR 131 N 0.74 1.32 0.06 1.71 2.02 -1.69 -3.18 112.91 113.88 3b8h h THR 131 Ca -0.48 -2.41 -0.00 0.00 0.77 0.00 0.00 66.41 64.28 3b8h h THR 131 Cb 1.24 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 70.59 3b8h h THR 131 CO 0.59 0.64 -0.03 0.40 0.37 0.00 0.00 175.52 177.49 3b8h h ILE 132 N -0.54 0.00 -0.01 3.11 5.03 -1.87 -3.36 117.51 119.87 3b8h h ILE 132 Ca -0.20 -0.52 -0.04 0.00 -0.12 0.00 0.00 64.86 63.98 3b8h h ILE 132 Cb 1.52 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 35.31 3b8h h ILE 132 CO 0.05 0.00 -0.19 -0.33 -0.68 0.00 0.00 178.15 176.99 3b8h h GLU 133 N -0.60 0.01 0.00 2.37 5.08 -1.99 -3.49 114.58 115.96 3b8h h GLU 133 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3b8h h GLU 133 Cb 0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3b8h h GLU 133 CO 0.01 0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 3b8h n GLY 134 N -0.98 -0.42 3.62 -3.84 0.00 -1.20 -4.68 105.19 97.69 3b8h n GLY 134 Ca -0.02 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 4.05 0.27 1.61 1.01 -1.26 -3.48 120.40 122.60 3b8h s VAL 135 Ca 0.00 1.14 -0.04 0.00 0.00 0.00 0.00 61.98 63.08 3b8h s VAL 135 Cb 0.00 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.26 3b8h s VAL 135 CO 0.00 -0.60 0.26 0.00 0.00 0.00 0.00 175.10 174.76 3b8h h VAL 137 N -1.66 1.49 0.32 0.00 2.07 -1.99 -3.24 116.25 113.25 3b8h h VAL 137 Ca -0.09 -3.09 -0.02 0.00 0.82 0.00 0.00 66.70 64.32 3b8h h VAL 137 Cb 0.28 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 3b8h h VAL 137 CO 0.06 0.90 -0.15 -0.61 0.02 0.00 0.00 177.57 177.78 3b8h h GLN 138 N 0.06 -0.41 -0.13 1.57 4.15 -2.00 -2.66 115.11 115.68 3b8h h GLN 138 Ca -0.13 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.36 3b8h h GLN 138 Cb 1.95 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.72 3b8h h GLN 138 CO 0.19 -0.22 0.13 1.15 -1.93 0.00 0.00 178.83 178.15 3b8h h THR 139 N -1.09 0.59 0.06 2.39 2.02 -1.93 -1.36 112.91 113.60 3b8h h THR 139 Ca -0.04 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.88 3b8h h THR 139 Cb 0.38 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3b8h h THR 139 CO 0.07 0.00 -1.10 -0.08 0.37 0.00 0.00 175.52 174.78 3b8h h GLU 140 N 0.00 0.44 -0.11 6.66 4.81 -1.62 -3.17 114.58 121.60 3b8h h GLU 140 Ca 0.06 -0.56 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 3b8h h GLU 140 Cb 0.32 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3b8h h GLU 140 CO -0.00 1.21 -0.04 1.15 -0.73 0.00 0.00 179.01 180.60 3b8h h THR 141 N 0.21 1.31 -0.87 0.32 2.02 -0.89 -2.80 112.91 112.21 3b8h h THR 141 Ca -0.12 -1.02 0.21 0.00 0.77 0.00 0.00 66.41 66.24 3b8h h THR 141 Cb 1.77 1.76 -0.06 0.00 -1.74 0.00 0.00 68.15 69.89 3b8h h THR 141 CO 0.19 0.29 0.59 0.58 0.37 0.00 0.00 175.52 177.54 3b8h h VAL 142 N -0.12 0.66 -0.37 3.16 2.07 -1.53 -0.14 116.25 119.97 3b8h h VAL 142 Ca 0.03 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3b8h h VAL 142 Cb 0.48 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3b8h h VAL 142 CO 0.01 0.05 0.12 0.25 0.02 0.00 0.00 177.57 178.02 3b8h h LEU 143 N 0.29 0.54 -1.52 2.57 5.85 -1.47 -1.73 115.31 119.85 3b8h h LEU 143 Ca 0.44 -0.20 0.24 0.00 0.84 0.00 0.00 57.88 59.20 3b8h h LEU 143 Cb 1.26 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 3b8h h LEU 143 CO -0.12 0.60 0.65 0.03 -0.34 0.00 0.00 178.44 179.26 3b8h h ARG 144 N 0.45 0.34 0.14 1.25 3.08 -0.90 0.66 114.38 119.40 3b8h h ARG 144 Ca 0.12 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3b8h h ARG 144 Cb 0.25 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3b8h h ARG 144 CO -0.00 0.22 -0.07 1.96 -1.07 0.00 0.00 179.97 181.01 3b8h h GLN 145 N 0.35 -0.18 -0.88 0.04 1.08 -1.30 -2.90 115.11 111.30 3b8h h GLN 145 Ca 0.53 0.01 0.24 0.00 -1.45 0.00 0.00 58.65 57.98 3b8h h GLN 145 Cb 1.43 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.85 3b8h h GLN 145 CO -0.20 0.27 0.62 0.00 -0.95 0.00 0.00 178.83 178.57 3b8h h ALA 146 N -0.26 2.64 -0.38 3.87 0.00 -0.44 0.19 119.26 124.88 3b8h h ALA 146 Ca -0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3b8h h ALA 146 Cb 0.54 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3b8h h ALA 146 CO 0.03 -0.91 -0.22 -0.07 0.00 0.00 0.00 179.25 178.09 3b8h h LEU 147 N 0.12 0.85 0.00 0.00 3.38 -0.91 -2.48 115.31 116.27 3b8h h LEU 147 Ca 0.44 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3b8h h LEU 147 Cb 1.53 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3b8h h LEU 147 CO -0.06 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.16 3b8h n GLY 148 N -0.01 -0.88 0.53 0.83 0.00 0.61 -2.36 105.19 103.91 3b8h n GLY 148 Ca -0.02 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 45.98 3b8h n GLY 148 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3b8h n GLU 149 N -1.33 1.77 -3.22 1.61 -0.58 -0.87 -5.02 120.64 113.00 3b8h n GLU 149 Ca 0.07 -1.62 -0.12 0.00 -0.42 0.00 0.00 57.16 55.07 3b8h n GLU 149 Cb 0.14 -1.23 0.06 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.54 -2.06 -4.13 3.49 1.74 -0.99 -4.98 116.66 110.27 3b8h n ARG 150 Ca 0.09 0.98 -0.29 0.00 -0.77 0.00 0.00 57.85 57.85 3b8h n ARG 150 Cb 0.35 -5.80 -0.17 0.00 -1.02 0.00 0.00 32.46 25.83 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 -3.32 1.51 0.00 0.55 1.01 -0.98 -4.88 121.20 115.09 3b8h s ILE 151 Ca 0.37 -0.61 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 3b8h s ILE 151 Cb -0.05 -1.41 -0.09 0.00 0.01 0.00 0.00 42.46 40.91 3b8h s ILE 151 CO 0.74 0.45 1.97 1.17 0.00 0.00 0.00 174.94 179.27 3b8h n LYS 152 N 4.64 2.71 -3.42 2.79 3.00 -1.20 -4.74 118.16 121.93 3b8h n LYS 152 Ca -0.17 0.99 -0.38 0.00 -0.00 0.00 0.00 58.31 58.75 3b8h n LYS 152 Cb 0.50 -2.95 -0.06 0.00 0.00 0.00 0.00 35.03 32.52 3b8h n LYS 152 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3b8h s PRO 153 N 4.47 4.17 -0.05 1.64 0.04 -1.26 -1.71 135.00 142.29 3b8h s PRO 153 Ca 0.90 0.37 0.05 0.00 0.04 0.00 0.00 61.00 62.36 3b8h s PRO 153 Cb -0.48 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 3b8h s PRO 153 CO 0.44 0.37 -0.20 0.08 0.04 0.00 0.00 177.00 177.72 3b8h s VAL 154 N -0.03 2.49 -0.16 -0.36 1.01 -0.52 -4.82 120.40 118.00 3b8h s VAL 154 Ca 0.23 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 3b8h s VAL 154 Cb -0.15 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3b8h s VAL 154 CO 0.10 0.57 0.07 -0.69 0.00 0.00 0.00 175.10 175.15 3b8h s VAL 155 N -0.41 4.85 -0.16 2.92 1.01 -1.13 0.12 120.40 127.60 3b8h s VAL 155 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 3b8h s VAL 155 Cb -0.12 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.15 3b8h s VAL 155 CO 0.02 0.50 0.05 -0.69 0.00 0.00 0.00 175.10 174.97 3b8h s VAL 156 N 0.02 0.29 -0.70 2.92 1.01 -0.10 -1.80 120.40 122.03 3b8h s VAL 156 Ca 0.06 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 3b8h s VAL 156 Cb -0.12 -0.76 0.07 0.00 0.00 0.00 0.00 36.38 35.57 3b8h s VAL 156 CO 0.01 -0.12 1.05 -0.63 0.00 0.00 0.00 175.10 175.40 3b8h s ILE 157 N 1.98 4.23 0.62 2.22 1.01 -0.56 -0.85 121.20 129.85 3b8h s ILE 157 Ca 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 3b8h s ILE 157 Cb -0.16 -4.75 0.04 0.00 0.01 0.00 0.00 42.46 37.61 3b8h s ILE 157 CO -0.07 -1.55 0.90 0.21 0.00 0.00 0.00 174.94 174.42 3b8h s ASN 158 N 3.73 5.17 -1.24 3.58 2.47 0.10 -1.59 114.94 127.18 3b8h s ASN 158 Ca 0.26 0.35 -0.03 0.00 0.42 0.00 0.00 52.86 53.86 3b8h s ASN 158 Cb -0.14 -1.18 0.00 0.00 -1.45 0.00 0.00 41.25 38.48 3b8h s ASN 158 CO 0.09 -1.30 1.05 0.29 -3.72 0.00 0.00 177.10 173.51 3b8h n LYS 159 N -2.62 -7.00 0.22 0.43 5.02 -0.49 -2.49 118.16 111.22 3b8h n LYS 159 Ca 0.07 0.83 0.11 0.00 -2.02 0.00 0.00 58.31 57.30 3b8h n LYS 159 Cb 0.59 -5.82 0.32 0.00 -0.02 0.00 0.00 35.03 30.11 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 -2.16 0.23 0.00 -0.18 2.07 -1.69 -2.93 116.25 111.59 3b8h h VAL 160 Ca -0.57 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 65.80 3b8h h VAL 160 Cb 1.34 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 3b8h h VAL 160 CO 0.51 0.12 -0.23 -2.24 0.02 0.00 0.00 177.57 175.75 3b8h h ASP 161 N 0.00 0.00 0.68 0.57 3.04 -1.90 -2.39 116.42 116.42 3b8h h ASP 161 Ca -0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 3b8h h ASP 161 Cb 0.90 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.19 3b8h h ASP 161 CO 0.02 0.23 -0.05 -0.09 -2.04 0.00 0.00 179.24 177.30 3b8h h ARG 162 N 0.00 0.00 0.00 4.15 2.43 -1.90 -1.43 114.38 117.63 3b8h h ARG 162 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3b8h h ARG 162 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3b8h h ARG 162 CO 0.03 0.05 -1.07 0.00 -1.51 0.00 0.00 179.97 177.46 3b8h n ALA 163 N -2.14 2.74 -0.11 2.80 0.00 -0.90 -3.52 120.51 119.38 3b8h n ALA 163 Ca -0.01 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.92 3b8h n ALA 163 Cb 0.26 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 3b8h n ALA 163 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3b8h n LEU 164 N -2.45 1.88 0.03 0.00 4.77 -0.89 -2.00 117.00 118.35 3b8h n LEU 164 Ca 0.00 0.42 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 3b8h n LEU 164 Cb 0.52 -0.92 0.02 0.00 -2.33 0.00 0.00 43.42 40.70 3b8h n LEU 164 CO 0.40 0.26 0.35 -0.07 -1.33 0.00 0.00 177.39 177.00 3b8h h LEU 165 N -1.00 0.57 0.00 2.23 4.07 -1.49 -3.11 115.31 116.58 3b8h h LEU 165 Ca -0.38 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.21 3b8h h LEU 165 Cb 1.29 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.86 3b8h h LEU 165 CO -0.23 1.11 0.00 -0.62 -1.08 0.00 0.00 178.44 177.62 3b8h n GLU 166 N -3.87 0.00 0.24 1.13 1.02 -1.23 -4.57 120.64 113.36 3b8h n GLU 166 Ca -0.05 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.27 3b8h n GLU 166 Cb 0.70 -0.18 0.87 0.00 -0.02 0.00 0.00 31.44 32.81 3b8h n GLU 166 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3b8h h LEU 167 N 0.00 0.00 0.10 -4.62 4.07 -1.67 -3.45 115.31 109.74 3b8h h LEU 167 Ca 0.00 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.55 3b8h h LEU 167 Cb 0.00 0.00 0.04 0.00 1.08 0.00 0.00 40.66 41.78 3b8h h LEU 167 CO 0.00 0.00 -0.65 0.00 -1.08 0.00 0.00 178.44 176.71 3b8h n GLN 168 N -3.47 -5.55 -2.00 1.13 6.02 -1.06 -4.91 117.38 107.54 3b8h n GLN 168 Ca 0.01 0.76 -0.41 0.00 -0.01 0.00 0.00 57.00 57.35 3b8h n GLN 168 Cb 0.34 -5.66 -0.01 0.00 1.02 0.00 0.00 30.24 25.93 3b8h n GLN 168 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3b8h s VAL 169 N -3.20 2.47 1.01 5.09 0.11 -0.85 -5.02 120.40 120.02 3b8h s VAL 169 Ca 0.46 0.47 -0.17 0.00 -2.93 0.00 0.00 61.98 59.82 3b8h s VAL 169 Cb -0.22 -3.30 0.22 0.00 -1.53 0.00 0.00 36.38 31.55 3b8h s VAL 169 CO 0.57 0.11 1.29 -0.94 -3.33 0.00 0.00 175.10 172.80 3b8h s SER 170 N -0.37 2.64 0.08 3.54 1.04 -1.26 -4.80 113.70 114.58 3b8h s SER 170 Ca 0.50 0.31 -0.19 0.00 0.48 0.00 0.00 55.95 57.05 3b8h s SER 170 Cb -0.42 -0.36 -0.09 0.00 0.10 0.00 0.00 66.02 65.25 3b8h s SER 170 CO 0.57 -3.03 1.54 0.11 0.98 0.00 0.00 173.24 173.40 3b8h h LYS 171 N -1.85 0.37 -0.26 4.02 1.57 -1.97 -0.95 116.57 117.51 3b8h h LYS 171 Ca -0.44 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.11 3b8h h LYS 171 Cb 1.24 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 3b8h h LYS 171 CO 0.36 0.53 -0.35 1.49 -0.57 0.00 0.00 179.45 180.91 3b8h h GLU 172 N 0.16 0.56 -0.10 3.15 4.57 -1.97 -2.02 114.58 118.93 3b8h h GLU 172 Ca 0.06 -0.26 -0.19 0.00 -1.18 0.00 0.00 59.36 57.79 3b8h h GLU 172 Cb 0.35 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3b8h h GLU 172 CO 0.01 0.84 -0.73 -0.44 -1.18 0.00 0.00 179.01 177.50 3b8h h ASP 173 N 0.48 0.60 1.06 1.04 3.32 -1.92 -2.72 116.42 118.27 3b8h h ASP 173 Ca 0.05 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.63 3b8h h ASP 173 Cb 0.84 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 3b8h h ASP 173 CO 0.07 1.14 -0.41 0.25 -1.72 0.00 0.00 179.24 178.56 3b8h h LEU 174 N 0.35 0.00 -0.32 1.55 5.85 -1.12 -2.97 115.31 118.64 3b8h h LEU 174 Ca -0.03 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.50 3b8h h LEU 174 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3b8h h LEU 174 CO 0.13 0.41 -0.58 0.22 -0.34 0.00 0.00 178.44 178.29 3b8h h TYR 175 N 0.00 1.03 0.00 1.25 3.20 -1.26 -2.54 116.97 118.65 3b8h h TYR 175 Ca -0.00 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.49 3b8h h TYR 175 Cb 1.05 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.13 3b8h h TYR 175 CO 0.00 1.19 0.00 1.04 -1.64 0.00 0.00 178.16 178.75 3b8h n GLN 176 N -3.99 0.05 0.00 1.82 1.13 -1.04 -2.40 117.38 112.96 3b8h n GLN 176 Ca -0.04 0.27 -0.12 0.00 -1.94 0.00 0.00 57.00 55.17 3b8h n GLN 176 Cb 0.64 -1.59 -0.09 0.00 0.11 0.00 0.00 30.24 29.30 3b8h n GLN 176 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3b8h h THR 177 N 0.00 1.18 0.00 5.09 2.02 -1.29 -2.99 112.91 116.91 3b8h h THR 177 Ca 0.00 -1.43 -0.10 0.00 0.77 0.00 0.00 66.41 65.65 3b8h h THR 177 Cb 0.31 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 3b8h h THR 177 CO 0.00 0.33 -0.48 -0.26 0.37 0.00 0.00 175.52 175.47 3b8h h PHE 178 N -0.81 0.00 -0.05 3.16 0.04 -1.51 -1.00 116.94 116.77 3b8h h PHE 178 Ca -0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 3b8h h PHE 178 Cb 0.61 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 3b8h h PHE 178 CO 0.13 0.48 -0.27 0.00 -0.60 0.00 0.00 178.31 178.06 3b8h h ALA 179 N 1.52 1.47 0.00 2.45 0.00 -1.55 0.17 119.26 123.32 3b8h h ALA 179 Ca -0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 3b8h h ALA 179 Cb 0.98 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3b8h h ALA 179 CO 0.06 0.39 -1.60 0.54 0.00 0.00 0.00 179.25 178.64 3b8h n ARG 180 N -4.19 0.63 -0.04 0.00 1.74 -1.12 -2.95 116.66 110.73 3b8h n ARG 180 Ca -0.02 0.18 -0.13 0.00 -0.77 0.00 0.00 57.85 57.11 3b8h n ARG 180 Cb 0.34 -1.76 -0.08 0.00 -1.02 0.00 0.00 32.46 29.94 3b8h n ARG 180 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3b8h h THR 181 N 0.00 1.37 0.00 0.55 2.02 -0.80 -0.59 112.91 115.46 3b8h h THR 181 Ca -0.22 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.67 3b8h h THR 181 Cb 1.69 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 3b8h h THR 181 CO 0.05 0.36 0.00 0.58 0.37 0.00 0.00 175.52 176.88 3b8h h VAL 182 N -0.20 0.00 0.00 3.16 2.07 -0.84 -2.62 116.25 117.82 3b8h h VAL 182 Ca 0.01 -0.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 3b8h h VAL 182 Cb 0.63 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3b8h h VAL 182 CO 0.03 0.00 -0.58 -0.08 0.02 0.00 0.00 177.57 176.95 3b8h h GLU 183 N 0.00 0.00 0.00 1.57 4.57 -1.44 -1.62 114.58 117.66 3b8h h GLU 183 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3b8h h GLU 183 Cb 0.73 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 3b8h h GLU 183 CO 0.00 0.41 0.00 0.43 -1.18 0.00 0.00 179.01 178.67 3b8h n SER 184 N -3.15 0.14 -0.13 1.04 7.64 -0.24 -3.06 113.62 115.87 3b8h n SER 184 Ca 0.01 0.52 -0.27 0.00 1.01 0.00 0.00 58.87 60.14 3b8h n SER 184 Cb 0.72 -0.55 -0.11 0.00 -1.01 0.00 0.00 64.21 63.26 3b8h n SER 184 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3b8h n VAL 185 N -1.64 1.54 -0.09 0.44 0.31 -1.11 -4.12 118.33 113.65 3b8h n VAL 185 Ca 0.06 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3b8h n VAL 185 Cb 0.32 -1.90 0.28 0.00 -0.91 0.00 0.00 33.84 31.63 3b8h n VAL 185 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3b8h h ASN 186 N -0.93 0.66 -0.58 4.52 -1.07 -1.39 0.22 115.58 117.02 3b8h h ASN 186 Ca -0.60 -0.07 -0.02 0.00 0.07 0.00 0.00 56.30 55.68 3b8h h ASN 186 Cb 1.56 -0.17 -0.03 0.00 -2.07 0.00 0.00 38.32 37.61 3b8h h ASN 186 CO -0.34 0.59 0.27 0.58 0.07 0.00 0.00 177.43 178.60 3b8h h VAL 187 N 0.73 1.21 0.00 6.14 2.07 -1.77 0.57 116.25 125.20 3b8h h VAL 187 Ca 0.18 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 3b8h h VAL 187 Cb 0.12 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3b8h h VAL 187 CO -0.02 0.24 -0.34 0.40 0.02 0.00 0.00 177.57 177.87 3b8h h ILE 188 N 0.79 1.09 0.07 4.57 1.08 -1.49 -2.72 117.51 120.89 3b8h h ILE 188 Ca 0.20 -1.23 -0.00 0.00 -0.39 0.00 0.00 64.86 63.43 3b8h h ILE 188 Cb 0.13 1.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 3b8h h ILE 188 CO -0.02 0.33 -0.03 0.58 -0.69 0.00 0.00 178.15 178.32 3b8h h VAL 189 N 0.00 0.00 -0.13 1.67 2.07 0.40 -2.84 116.25 117.42 3b8h h VAL 189 Ca -0.00 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3b8h h VAL 189 Cb 0.67 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3b8h h VAL 189 CO 0.04 0.00 0.59 0.77 0.02 0.00 0.00 177.57 179.00 3b8h h SER 190 N -0.23 0.00 0.00 0.57 4.64 0.03 0.12 113.55 118.68 3b8h h SER 190 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3b8h h SER 190 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3b8h h SER 190 CO 0.02 0.00 0.00 0.41 -0.87 0.00 0.00 176.83 176.39 3b8h n THR 191 N -2.92 0.00 0.98 2.95 -1.04 -1.03 -4.27 114.28 108.96 3b8h n THR 191 Ca 0.02 0.26 -0.00 0.00 -2.04 0.00 0.00 64.05 62.29 3b8h n THR 191 Cb 0.66 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 3b8h n THR 191 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3b8h n TYR 192 N -1.15 0.02 -3.26 -1.42 4.01 -1.00 -4.77 117.16 109.59 3b8h n TYR 192 Ca 0.00 -0.14 -0.39 0.00 -0.16 0.00 0.00 57.90 57.21 3b8h n TYR 192 Cb 0.00 -0.15 -0.07 0.00 -0.31 0.00 0.00 39.34 38.82 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 -0.75 3.54 0.68 -0.72 0.00 0.40 -4.66 121.76 120.25 3b8h s ALA 193 Ca 0.01 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 3b8h s ALA 193 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.35 3b8h s ALA 193 CO 0.00 -0.39 1.24 0.34 0.00 0.00 0.00 175.76 176.95 3b8h s ASP 194 N 1.09 4.46 0.06 0.00 -1.08 -1.26 -4.94 116.67 115.01 3b8h s ASP 194 Ca 0.24 2.45 -0.21 0.00 -0.52 0.00 0.00 52.55 54.52 3b8h s ASP 194 Cb -0.15 -2.60 -0.12 0.00 -1.46 0.00 0.00 42.92 38.59 3b8h s ASP 194 CO 0.10 -2.09 1.48 -0.33 0.52 0.00 0.00 175.17 174.85 3b8h h GLU 195 N 0.15 0.29 -0.92 4.34 5.08 -1.97 -3.18 114.58 118.37 3b8h h GLU 195 Ca -0.49 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 57.81 3b8h h GLU 195 Cb 1.31 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 3b8h h GLU 195 CO 0.52 0.52 0.60 0.28 -1.00 0.00 0.00 179.01 179.93 3b8h h VAL 196 N 0.03 1.14 0.00 3.13 2.07 -2.05 0.41 116.25 120.98 3b8h h VAL 196 Ca 0.05 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3b8h h VAL 196 Cb 0.40 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3b8h h VAL 196 CO 0.01 0.21 0.00 0.18 0.02 0.00 0.00 177.57 177.99 3b8h n LEU 197 N -4.51 0.60 0.00 2.57 4.77 -1.20 -4.97 117.00 114.26 3b8h n LEU 197 Ca 0.12 0.71 0.04 0.00 -0.03 0.00 0.00 56.01 56.85 3b8h n LEU 197 Cb 0.11 -0.70 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 3b8h n LEU 197 CO 0.34 -0.75 -0.05 0.61 -1.33 0.00 0.00 177.39 176.20 3b8h n GLY 198 N -0.66 -1.20 3.65 -0.72 0.00 0.13 -4.58 105.19 101.82 3b8h n GLY 198 Ca 0.00 -1.05 -0.46 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.01 3.55 0.00 1.61 2.03 -1.26 -4.81 116.55 114.66 3b8h n ASP 199 Ca 0.00 0.84 0.00 0.00 0.52 0.00 0.00 54.79 56.16 3b8h n ASP 199 Cb 0.13 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.11 3b8h n ASP 199 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 3b8h n VAL 200 N 5.65 0.77 -1.60 5.18 3.14 -1.26 -5.07 118.33 125.13 3b8h n VAL 200 Ca 0.24 -0.83 -0.39 0.00 -2.96 0.00 0.00 64.34 60.40 3b8h n VAL 200 Cb 0.34 0.63 0.03 0.00 -1.06 0.00 0.00 33.84 33.78 3b8h n VAL 200 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3b8h n GLN 201 N -0.38 1.07 -3.04 1.45 6.02 -1.26 -4.80 117.38 116.43 3b8h n GLN 201 Ca 0.00 0.40 -0.40 0.00 -0.01 0.00 0.00 57.00 56.98 3b8h n GLN 201 Cb 0.24 -2.09 -0.05 0.00 1.02 0.00 0.00 30.24 29.37 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 -1.44 4.98 -0.20 5.09 -7.23 -1.26 -5.05 120.40 115.29 3b8h s VAL 202 Ca 0.70 1.36 -0.00 0.00 -1.81 0.00 0.00 61.98 62.22 3b8h s VAL 202 Cb -0.47 -4.02 0.02 0.00 0.56 0.00 0.00 36.38 32.47 3b8h s VAL 202 CO 0.52 0.10 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.96 3b8h s TYR 203 N 1.85 2.89 0.30 2.82 2.02 -1.26 -4.92 117.35 121.04 3b8h s TYR 203 Ca 0.33 -1.52 0.00 0.00 -0.37 0.00 0.00 57.07 55.51 3b8h s TYR 203 Cb -0.16 -1.98 0.52 0.00 -0.40 0.00 0.00 41.96 39.93 3b8h s TYR 203 CO 0.12 -0.75 1.92 -1.35 -1.57 0.00 0.00 175.55 173.92 3b8h h PRO 204 N 7.98 1.01 0.00 -1.71 0.11 -1.88 -1.34 132.00 136.17 3b8h h PRO 204 Ca -0.41 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3b8h h PRO 204 Cb 1.13 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3b8h h PRO 204 CO 0.61 0.67 0.00 0.00 -0.21 0.00 0.00 178.00 179.07 3b8h n ALA 205 N -2.40 2.34 0.25 -0.75 0.00 -1.26 -2.17 120.51 116.53 3b8h n ALA 205 Ca 0.13 -0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3b8h n ALA 205 Cb 0.17 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 3b8h n ALA 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b8h n ARG 206 N -0.94 4.07 -0.24 0.00 1.74 -0.54 -4.39 116.66 116.36 3b8h n ARG 206 Ca 0.15 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3b8h n ARG 206 Cb 0.07 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 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 0.96 0.86 1.32 -0.13 0.00 -0.92 -4.95 105.19 102.33 3b8h n GLY 207 Ca 0.02 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.24 0.88 -3.64 2.61 -2.24 -0.98 -4.57 114.28 104.11 3b8h n THR 208 Ca 0.00 -0.94 -0.21 0.00 -2.27 0.00 0.00 64.05 60.62 3b8h n THR 208 Cb 0.00 0.61 -0.17 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.11 -0.14 0.41 2.28 1.01 -1.25 -2.83 120.40 118.75 3b8h s VAL 209 Ca 0.47 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.71 3b8h s VAL 209 Cb 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 3b8h s VAL 209 CO 0.33 -0.01 0.35 0.00 0.00 0.00 0.00 175.10 175.78 3b8h s ALA 210 N 2.19 4.00 -0.12 5.51 0.00 -0.74 -4.25 121.76 128.34 3b8h s ALA 210 Ca 0.04 -1.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.04 3b8h s ALA 210 Cb -0.14 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.04 3b8h s ALA 210 CO -0.06 -0.19 0.31 -0.06 0.00 0.00 0.00 175.76 175.75 3b8h s PHE 211 N -2.46 -0.38 -2.09 0.00 0.08 0.49 -1.49 117.98 112.12 3b8h s PHE 211 Ca 0.47 0.89 0.00 0.00 0.12 0.00 0.00 56.93 58.41 3b8h s PHE 211 Cb -0.03 0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.54 3b8h s PHE 211 CO 0.27 -0.22 0.00 0.41 -0.10 0.00 0.00 175.22 175.59 3b8h n GLY 212 N 3.58 -0.83 2.96 4.36 0.00 -0.62 0.36 105.19 115.00 3b8h n GLY 212 Ca -0.19 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 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 0.43 -0.04 1.61 0.15 0.20 -1.40 113.70 110.66 3b8h s SER 213 Ca 0.00 -0.26 -0.07 0.00 0.70 0.00 0.00 55.95 56.32 3b8h s SER 213 Cb 0.00 0.01 -0.29 0.00 -1.71 0.00 0.00 66.02 64.03 3b8h s SER 213 CO 0.00 -0.09 0.71 1.23 1.20 0.00 0.00 173.24 176.29 3b8h h GLY 214 N 5.41 0.36 0.41 9.45 0.00 -1.88 -0.88 103.07 115.94 3b8h h GLY 214 Ca -0.30 -0.92 0.08 0.00 0.00 0.00 0.00 47.33 46.19 3b8h h GLY 214 CO 0.46 0.81 0.12 -2.00 0.00 0.00 0.00 176.54 175.93 3b8h h LEU 215 N 0.09 0.05 0.00 3.11 5.85 -1.95 -2.10 115.31 120.36 3b8h h LEU 215 Ca -0.31 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.36 3b8h h LEU 215 Cb 2.06 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 43.17 3b8h h LEU 215 CO 0.16 0.05 -0.77 0.45 -0.34 0.00 0.00 178.44 177.99 3b8h h HIS 216 N 0.26 0.00 -0.59 1.25 3.86 -1.94 -3.48 115.15 114.51 3b8h h HIS 216 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3b8h h HIS 216 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 3b8h h HIS 216 CO -0.21 0.54 0.00 0.41 0.86 0.00 0.00 177.93 179.53 3b8h n GLY 217 N 1.28 0.95 3.12 2.45 0.00 -0.79 -4.60 105.19 107.60 3b8h n GLY 217 Ca -0.01 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.59 0.93 -0.18 1.61 1.48 -0.36 -3.23 118.94 116.59 3b8h s TRP 218 Ca 0.00 -0.53 -0.30 0.00 -1.06 0.00 0.00 56.10 54.21 3b8h s TRP 218 Cb 0.00 -0.53 0.14 0.00 -1.16 0.00 0.00 33.47 31.92 3b8h s TRP 218 CO 0.00 -0.03 1.07 0.00 -4.06 0.00 0.00 176.95 173.93 3b8h s ALA 219 N -1.64 -1.97 -0.01 2.67 0.00 -0.84 0.62 121.76 120.60 3b8h s ALA 219 Ca -0.04 1.64 -0.05 0.00 0.00 0.00 0.00 51.96 53.51 3b8h s ALA 219 Cb -0.08 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 3b8h s ALA 219 CO 0.01 -0.30 0.10 -0.59 0.00 0.00 0.00 175.76 174.98 3b8h s PHE 220 N -1.13 0.04 0.13 0.00 -0.12 0.16 -4.17 117.98 112.89 3b8h s PHE 220 Ca 0.00 -0.10 0.05 0.00 -0.05 0.00 0.00 56.93 56.83 3b8h s PHE 220 Cb -0.01 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 3b8h s PHE 220 CO -0.00 -0.22 0.06 0.95 -0.05 0.00 0.00 175.22 175.95 3b8h s THR 221 N -1.07 4.19 0.59 -4.49 -4.23 -1.26 -0.38 115.64 108.98 3b8h s THR 221 Ca -0.12 -1.09 0.31 0.00 -1.18 0.00 0.00 61.69 59.61 3b8h s THR 221 Cb -0.07 -3.07 0.36 0.00 1.34 0.00 0.00 72.50 71.06 3b8h s THR 221 CO 0.01 -0.01 2.26 0.40 -0.54 0.00 0.00 174.62 176.74 3b8h h ILE 222 N 2.45 0.49 0.00 2.99 2.04 -1.75 0.31 117.51 124.05 3b8h h ILE 222 Ca -0.47 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3b8h h ILE 222 Cb 1.18 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 3b8h h ILE 222 CO 0.61 0.00 0.00 -1.14 0.00 0.00 0.00 178.15 177.63 3b8h n ARG 223 N -3.79 0.08 0.02 2.37 0.63 -1.26 -3.04 116.66 111.66 3b8h n ARG 223 Ca -0.03 0.17 -0.21 0.00 -0.92 0.00 0.00 57.85 56.86 3b8h n ARG 223 Cb 0.08 -1.62 -0.14 0.00 0.45 0.00 0.00 32.46 31.24 3b8h n ARG 223 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3b8h h GLN 224 N 0.00 0.25 -0.00 -0.14 4.20 -1.33 -3.28 115.11 114.81 3b8h h GLN 224 Ca 0.00 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.28 3b8h h GLN 224 Cb 0.46 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3b8h h GLN 224 CO 0.00 1.21 0.00 1.19 -0.67 0.00 0.00 178.83 180.56 3b8h n PHE 225 N -4.00 0.00 0.16 2.96 3.72 -1.23 -2.88 117.46 116.19 3b8h n PHE 225 Ca -0.22 -0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.29 3b8h n PHE 225 Cb 0.87 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.35 3b8h n PHE 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3b8h n ALA 226 N -0.91 2.80 0.32 4.37 0.00 -1.17 -2.75 120.51 123.17 3b8h n ALA 226 Ca 0.23 -0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.42 3b8h n ALA 226 Cb 0.12 -0.95 0.15 0.00 0.00 0.00 0.00 19.45 18.77 3b8h n ALA 226 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3b8h h THR 227 N 0.00 0.00 0.05 0.00 2.02 -1.59 -2.89 112.91 110.51 3b8h h THR 227 Ca 0.00 -0.81 -0.31 0.00 0.77 0.00 0.00 66.41 66.06 3b8h h THR 227 Cb 0.95 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 3b8h h THR 227 CO 0.00 0.00 -1.68 0.54 0.37 0.00 0.00 175.52 174.75 3b8h n ARG 228 N -2.63 0.65 -0.06 6.66 1.74 -1.23 -4.19 116.66 117.59 3b8h n ARG 228 Ca 0.03 0.42 0.09 0.00 -0.77 0.00 0.00 57.85 57.62 3b8h n ARG 228 Cb 0.50 -1.71 0.39 0.00 -1.02 0.00 0.00 32.46 30.62 3b8h n ARG 228 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3b8h n TYR 229 N -4.00 0.16 0.11 -1.55 4.01 -1.11 -3.46 117.16 111.33 3b8h n TYR 229 Ca -0.34 -0.08 -0.01 0.00 -0.16 0.00 0.00 57.90 57.30 3b8h n TYR 229 Cb 0.85 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.92 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 3.83 0.63 0.01 -0.72 0.00 -1.67 -3.14 119.26 118.19 3b8h h ALA 230 Ca 0.00 -0.64 -0.27 0.00 0.00 0.00 0.00 54.91 54.00 3b8h h ALA 230 Cb 0.32 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3b8h h ALA 230 CO 0.00 0.88 -1.47 1.63 0.00 0.00 0.00 179.25 180.29 3b8h n LYS 231 N -3.41 0.58 0.30 0.00 5.02 -1.22 -1.30 118.16 118.13 3b8h n LYS 231 Ca 0.00 0.52 0.16 0.00 -2.02 0.00 0.00 58.31 56.97 3b8h n LYS 231 Cb 0.77 -1.71 0.94 0.00 -0.02 0.00 0.00 35.03 35.00 3b8h n LYS 231 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3b8h h LYS 232 N -0.94 0.00 -0.01 1.97 1.57 -1.71 -2.20 116.57 115.26 3b8h h LYS 232 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3b8h h LYS 232 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 3b8h h LYS 232 CO -0.22 0.01 -0.17 1.19 -0.57 0.00 0.00 179.45 179.69 3b8h n PHE 233 N -3.77 0.00 -3.24 -1.35 3.72 -1.19 -5.04 117.46 106.59 3b8h n PHE 233 Ca -0.03 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.22 3b8h n PHE 233 Cb 0.09 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.81 -0.66 2.84 1.37 0.00 -0.83 -5.04 105.19 103.70 3b8h n GLY 234 Ca 0.03 0.29 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.35 -0.04 0.10 1.61 1.01 -0.42 -5.03 120.40 114.28 3b8h s VAL 235 Ca 0.21 0.16 -0.36 0.00 0.00 0.00 0.00 61.98 61.99 3b8h s VAL 235 Cb -0.03 -0.13 -0.16 0.00 0.00 0.00 0.00 36.38 36.06 3b8h s VAL 235 CO 0.69 0.07 1.33 -0.90 0.00 0.00 0.00 175.10 176.29 3b8h n ASP 236 N 3.97 1.68 0.25 3.32 5.68 -1.26 -4.44 116.55 125.74 3b8h n ASP 236 Ca -0.24 1.12 0.17 0.00 -0.50 0.00 0.00 54.79 55.34 3b8h n ASP 236 Cb 0.52 -1.21 0.89 0.00 -1.14 0.00 0.00 41.12 40.19 3b8h n ASP 236 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3b8h h LYS 237 N 4.47 0.00 -0.19 0.11 2.10 -1.89 -0.64 116.57 120.54 3b8h h LYS 237 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3b8h h LYS 237 Cb 1.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.65 3b8h h LYS 237 CO 0.77 0.00 0.13 0.00 -2.00 0.00 0.00 179.45 178.35 3b8h h ALA 238 N 2.01 0.24 0.00 0.07 0.00 -1.91 0.10 119.26 119.77 3b8h h ALA 238 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3b8h h ALA 238 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3b8h h ALA 238 CO 0.00 -0.28 -0.73 -0.22 0.00 0.00 0.00 179.25 178.02 3b8h h LYS 239 N 0.26 0.00 -0.22 0.00 3.64 -1.52 -3.29 116.57 115.43 3b8h h LYS 239 Ca 0.07 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 3b8h h LYS 239 Cb -0.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3b8h h LYS 239 CO -0.01 0.44 -0.29 1.98 -2.27 0.00 0.00 179.45 179.29 3b8h h MET 240 N 0.00 0.43 -0.54 1.90 4.05 -0.93 -2.67 114.93 117.17 3b8h h MET 240 Ca -0.04 -0.17 -0.06 0.00 -0.28 0.00 0.00 59.70 59.15 3b8h h MET 240 Cb 1.42 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.18 3b8h h MET 240 CO 0.06 0.68 0.11 0.52 0.23 0.00 0.00 176.91 178.52 3b8h h MET 241 N 0.37 0.87 -0.07 0.39 2.86 -1.05 -3.14 114.93 115.17 3b8h h MET 241 Ca 0.05 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3b8h h MET 241 Cb 0.71 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3b8h h MET 241 CO 0.05 0.83 -0.07 0.22 1.06 0.00 0.00 176.91 179.01 3b8h h ASP 242 N 0.77 -0.22 -0.36 1.22 1.82 -1.55 -3.09 116.42 115.01 3b8h h ASP 242 Ca 0.17 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 3b8h h ASP 242 Cb 0.37 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 3b8h h ASP 242 CO 0.01 -0.10 0.16 0.03 -1.61 0.00 0.00 179.24 177.72 3b8h h ARG 243 N -0.09 0.53 -0.92 0.28 3.08 -1.57 -3.18 114.38 112.51 3b8h h ARG 243 Ca 0.05 -0.09 0.17 0.00 0.07 0.00 0.00 59.98 60.19 3b8h h ARG 243 Cb 0.17 -0.09 -0.17 0.00 0.08 0.00 0.00 29.97 29.96 3b8h h ARG 243 CO -0.13 0.50 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.93 3b8h h LEU 244 N 0.43 -1.01 -9.99 3.04 3.38 -1.49 -3.39 115.31 106.28 3b8h h LEU 244 Ca 0.12 0.28 -0.57 0.00 0.09 0.00 0.00 57.88 57.80 3b8h h LEU 244 Cb 0.16 0.62 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3b8h h LEU 244 CO -0.01 -0.30 -0.42 0.86 0.09 0.00 0.00 178.44 178.65 3b8h s TRP 245 N -6.17 3.49 0.00 1.13 -0.11 -1.20 -1.85 118.94 114.23 3b8h s TRP 245 Ca -0.15 0.28 0.00 0.00 1.22 0.00 0.00 56.10 57.45 3b8h s TRP 245 Cb 0.24 -1.79 0.00 0.00 -1.50 0.00 0.00 33.47 30.42 3b8h s TRP 245 CO 0.75 0.49 0.00 0.41 -4.62 0.00 0.00 176.95 173.99 3b8h n GLY 246 N -0.22 -1.98 3.57 5.86 0.00 -1.26 -4.61 105.19 106.55 3b8h n GLY 246 Ca -0.05 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 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 0.71 4.19 -3.70 1.61 8.00 -1.26 -4.74 116.55 121.36 3b8h n ASP 247 Ca 0.00 -2.83 -0.18 0.00 0.71 0.00 0.00 54.79 52.48 3b8h n ASP 247 Cb 0.00 -1.74 -0.17 0.00 -0.02 0.00 0.00 41.12 39.18 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 5.09 0.80 0.23 -2.24 0.01 -1.26 -4.64 113.70 111.70 3b8h s SER 248 Ca 0.60 0.08 0.10 0.00 1.31 0.00 0.00 55.95 58.04 3b8h s SER 248 Cb 0.02 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 3b8h s SER 248 CO 0.10 -0.21 -0.18 -0.36 0.41 0.00 0.00 173.24 172.99 3b8h s PHE 249 N 1.84 2.04 -0.38 2.43 0.08 -0.67 0.40 117.98 123.73 3b8h s PHE 249 Ca 0.01 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.63 3b8h s PHE 249 Cb -0.12 -0.93 0.12 0.00 -0.57 0.00 0.00 43.02 41.52 3b8h s PHE 249 CO -0.03 0.53 0.17 0.12 -0.10 0.00 0.00 175.22 175.91 3b8h s PHE 250 N -2.52 1.83 -0.24 0.36 5.36 -1.25 -2.10 117.98 119.41 3b8h s PHE 250 Ca 0.25 -2.10 -0.29 0.00 -0.96 0.00 0.00 56.93 53.84 3b8h s PHE 250 Cb -0.04 -1.78 -0.03 0.00 -0.34 0.00 0.00 43.02 40.83 3b8h s PHE 250 CO 0.11 -0.83 1.89 1.21 -1.46 0.00 0.00 175.22 176.13 3b8h s ASN 251 N 0.96 5.94 0.38 6.13 3.84 -1.25 -4.85 114.94 126.09 3b8h s ASN 251 Ca 0.14 1.67 0.26 0.00 0.21 0.00 0.00 52.86 55.14 3b8h s ASN 251 Cb -0.21 -2.52 1.39 0.00 -0.55 0.00 0.00 41.25 39.36 3b8h s ASN 251 CO -0.10 -1.61 1.79 -0.65 -2.79 0.00 0.00 177.10 173.74 3b8h h PRO 252 N 12.75 0.00 0.00 0.43 0.11 -1.98 0.14 132.00 143.45 3b8h h PRO 252 Ca -0.37 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.63 3b8h h PRO 252 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3b8h h PRO 252 CO 1.00 0.00 -0.84 0.87 -0.21 0.00 0.00 178.00 178.82 3b8h h LYS 253 N 0.00 0.00 0.00 1.05 1.57 -1.98 -3.39 116.57 113.82 3b8h h LYS 253 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3b8h h LYS 253 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3b8h h LYS 253 CO 0.00 0.52 -0.34 1.79 -0.57 0.00 0.00 179.45 180.86 3b8h h THR 254 N -1.00 0.68 -3.73 -0.16 1.35 -1.93 -3.47 112.91 104.64 3b8h h THR 254 Ca -0.17 -1.59 -0.37 0.00 -0.55 0.00 0.00 66.41 63.73 3b8h h THR 254 Cb 0.89 2.06 0.04 0.00 -1.73 0.00 0.00 68.15 69.41 3b8h h THR 254 CO -0.10 0.33 -0.53 0.29 -0.25 0.00 0.00 175.52 175.25 3b8h n LYS 255 N -3.32 -3.76 -3.89 4.72 4.76 0.46 -5.01 118.16 112.13 3b8h n LYS 255 Ca 0.01 0.84 -0.12 0.00 -2.87 0.00 0.00 58.31 56.18 3b8h n LYS 255 Cb 0.57 -5.48 -0.14 0.00 -1.84 0.00 0.00 35.03 28.14 3b8h n LYS 255 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3b8h s LYS 256 N -5.43 0.05 0.34 1.97 1.02 -1.25 -5.02 119.74 111.42 3b8h s LYS 256 Ca 0.21 -0.09 -0.27 0.00 0.02 0.00 0.00 55.97 55.84 3b8h s LYS 256 Cb -0.09 0.02 -0.09 0.00 -0.52 0.00 0.00 37.83 37.14 3b8h s LYS 256 CO 0.26 -0.01 1.11 -1.58 -0.92 0.00 0.00 175.35 174.22 3b8h s TRP 257 N -0.23 3.34 0.07 3.18 0.52 -1.26 -3.77 118.94 120.79 3b8h s TRP 257 Ca -0.03 1.64 -0.03 0.00 0.02 0.00 0.00 56.10 57.70 3b8h s TRP 257 Cb -0.02 -3.29 -0.03 0.00 -1.15 0.00 0.00 33.47 28.98 3b8h s TRP 257 CO -0.00 -0.82 0.04 0.99 0.02 0.00 0.00 176.95 177.17 3b8h s THR 258 N -1.35 0.19 -1.02 2.01 2.01 -0.89 -5.00 115.64 111.58 3b8h s THR 258 Ca 0.51 -1.64 0.17 0.00 0.31 0.00 0.00 61.69 61.04 3b8h s THR 258 Cb -0.29 -1.51 0.60 0.00 0.01 0.00 0.00 72.50 71.31 3b8h s THR 258 CO 0.37 -0.87 1.52 0.59 -0.69 0.00 0.00 174.62 175.55 3b8h n ASN 259 N 0.05 4.19 -4.61 3.53 3.02 -1.26 -1.67 115.26 118.50 3b8h n ASN 259 Ca -0.14 -2.40 -0.34 0.00 -0.03 0.00 0.00 54.58 51.67 3b8h n ASN 259 Cb 0.62 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 3b8h n ASN 259 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3b8h s LYS 260 N -1.74 3.52 0.00 3.52 1.02 -1.26 -4.90 119.74 119.90 3b8h s LYS 260 Ca 0.44 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.01 3b8h s LYS 260 Cb 0.28 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 3b8h s LYS 260 CO 0.21 0.42 0.70 -0.40 -0.92 0.00 0.00 175.35 175.36 3b8h n ASP 261 N 3.01 1.79 -3.67 2.83 5.68 -1.26 -4.75 116.55 120.18 3b8h n ASP 261 Ca -0.18 -1.99 -0.10 0.00 -0.50 0.00 0.00 54.79 52.03 3b8h n ASP 261 Cb 0.53 -0.50 -0.09 0.00 -1.14 0.00 0.00 41.12 39.92 3b8h n ASP 261 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3b8h s THR 262 N -0.59 -0.01 0.83 2.12 2.01 -1.26 -3.06 115.64 115.68 3b8h s THR 262 Ca 0.00 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.92 3b8h s THR 262 Cb 0.00 -0.81 0.09 0.00 0.01 0.00 0.00 72.50 71.79 3b8h s THR 262 CO 0.00 0.01 1.09 -0.62 -0.69 0.00 0.00 174.62 174.42 3b8h s ASP 263 N 1.26 4.10 0.32 3.53 -1.08 0.29 -4.84 116.67 120.26 3b8h s ASP 263 Ca -0.08 1.43 0.10 0.00 -0.52 0.00 0.00 52.55 53.49 3b8h s ASP 263 Cb -0.06 -2.14 0.93 0.00 -1.46 0.00 0.00 42.92 40.18 3b8h s ASP 263 CO -0.13 -2.23 1.71 0.00 0.52 0.00 0.00 175.17 175.04 3b8h h ALA 264 N -1.27 1.80 -0.00 3.66 0.00 -2.00 0.30 119.26 121.75 3b8h h ALA 264 Ca -0.48 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3b8h h ALA 264 Cb 1.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3b8h h ALA 264 CO 0.57 -0.36 0.00 0.39 0.00 0.00 0.00 179.25 179.84 3b8h n GLU 265 N -4.95 1.12 -0.47 0.00 1.02 -1.26 -4.85 120.64 111.24 3b8h n GLU 265 Ca 0.28 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3b8h n GLU 265 Cb 0.81 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 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 1.03 0.98 3.74 0.62 0.00 0.11 -5.07 105.19 106.60 3b8h n GLY 266 Ca 0.23 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.15 4.30 0.15 1.61 1.02 -1.22 -4.77 119.74 119.68 3b8h s LYS 267 Ca 0.00 0.55 -0.31 0.00 0.02 0.00 0.00 55.97 56.23 3b8h s LYS 267 Cb 0.00 -3.39 -0.10 0.00 -0.52 0.00 0.00 37.83 33.82 3b8h s LYS 267 CO 0.00 0.25 1.63 -2.14 -0.92 0.00 0.00 175.35 174.17 3b8h s PRO 268 N 0.29 4.19 -0.03 -1.68 0.02 -1.26 0.11 135.00 136.63 3b8h s PRO 268 Ca 0.28 2.41 -0.02 0.00 0.02 0.00 0.00 61.00 63.69 3b8h s PRO 268 Cb -0.16 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.04 3b8h s PRO 268 CO 0.13 -0.68 0.10 -0.51 -0.33 0.00 0.00 177.00 175.72 3b8h s LEU 269 N 1.62 4.05 0.20 -5.54 1.43 -1.17 -4.86 118.68 114.40 3b8h s LEU 269 Ca 0.72 0.24 -0.28 0.00 -1.03 0.00 0.00 54.13 53.79 3b8h s LEU 269 Cb -0.44 -2.27 -0.08 0.00 0.03 0.00 0.00 46.19 43.43 3b8h s LEU 269 CO 0.32 0.30 0.87 -0.70 0.23 0.00 0.00 176.35 177.37 3b8h s GLU 270 N -1.58 4.72 0.71 1.70 2.12 -1.26 -4.84 118.70 120.27 3b8h s GLU 270 Ca 0.22 1.34 -0.15 0.00 0.36 0.00 0.00 54.97 56.73 3b8h s GLU 270 Cb -0.12 -3.28 0.03 0.00 0.26 0.00 0.00 34.13 31.02 3b8h s GLU 270 CO 0.12 0.52 1.18 0.50 -0.54 0.00 0.00 175.26 177.04 3b8h s ARG 271 N -1.07 2.34 0.50 4.30 3.52 -1.26 -3.91 118.95 123.36 3b8h s ARG 271 Ca 0.39 1.68 0.15 0.00 -0.13 0.00 0.00 55.73 57.81 3b8h s ARG 271 Cb -0.24 -1.87 1.18 0.00 -1.56 0.00 0.00 34.95 32.46 3b8h s ARG 271 CO 0.29 -1.66 2.12 0.00 -0.81 0.00 0.00 175.30 175.24 3b8h h ALA 272 N -0.15 1.93 -0.00 6.12 0.00 -0.28 0.17 119.26 127.05 3b8h h ALA 272 Ca -0.48 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3b8h h ALA 272 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3b8h h ALA 272 CO 0.51 0.06 -0.18 0.35 0.00 0.00 0.00 179.25 179.99 3b8h h PHE 273 N 0.07 0.18 -0.03 0.00 3.57 -1.61 -1.89 116.94 117.24 3b8h h PHE 273 Ca 0.02 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 3b8h h PHE 273 Cb 0.03 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3b8h h PHE 273 CO 0.00 0.89 -0.25 -0.91 -2.23 0.00 0.00 178.31 175.81 3b8h h ASN 274 N -0.57 0.05 0.53 0.41 4.21 -1.78 0.14 115.58 118.56 3b8h h ASN 274 Ca -0.02 -0.01 -0.28 0.00 1.21 0.00 0.00 56.30 57.19 3b8h h ASN 274 Cb 0.94 -0.01 -0.05 0.00 -1.12 0.00 0.00 38.32 38.08 3b8h h ASN 274 CO 0.04 0.31 -1.66 -0.03 -1.29 0.00 0.00 177.43 174.79 3b8h h MET 275 N 0.05 0.00 0.00 0.81 4.05 -1.04 -1.45 114.93 117.35 3b8h h MET 275 Ca 0.01 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.15 3b8h h MET 275 Cb 0.48 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.23 3b8h h MET 275 CO 0.03 0.50 -2.04 1.19 0.23 0.00 0.00 176.91 176.83 3b8h n PHE 276 N -3.05 0.00 -0.09 1.39 3.72 -0.71 -4.47 117.46 114.26 3b8h n PHE 276 Ca -0.16 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.07 3b8h n PHE 276 Cb 1.04 -0.74 -0.06 0.00 -0.94 0.00 0.00 39.48 38.78 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 -2.69 1.18 0.07 4.37 2.08 0.35 -4.49 119.36 120.23 3b8h n ILE 277 Ca -0.27 -0.14 -0.09 0.00 0.56 0.00 0.00 62.75 62.82 3b8h n ILE 277 Cb 0.95 -1.87 0.04 0.00 -0.75 0.00 0.00 39.64 38.01 3b8h n ILE 277 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3b8h h LEU 278 N -0.71 0.38 0.39 1.39 3.38 -1.34 -3.28 115.31 115.52 3b8h h LEU 278 Ca -0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 3b8h h LEU 278 Cb 1.23 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3b8h h LEU 278 CO -0.22 0.99 -0.19 -0.78 0.09 0.00 0.00 178.44 178.34 3b8h h ASP 279 N 0.21 -0.44 -0.42 -0.43 3.58 -1.48 -0.80 116.42 116.64 3b8h h ASP 279 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3b8h h ASP 279 Cb 1.32 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.47 3b8h h ASP 279 CO 0.12 -0.30 0.27 -0.65 -2.88 0.00 0.00 179.24 175.80 3b8h h PRO 280 N -0.54 0.56 -0.02 0.28 0.11 -1.79 -1.93 132.00 128.67 3b8h h PRO 280 Ca -0.05 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.94 3b8h h PRO 280 Cb 0.41 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3b8h h PRO 280 CO 0.09 0.38 -0.34 0.82 -0.21 0.00 0.00 178.00 178.74 3b8h h ILE 281 N 0.56 1.25 -0.30 4.15 2.04 -1.61 -2.92 117.51 120.69 3b8h h ILE 281 Ca 0.15 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 3b8h h ILE 281 Cb -0.04 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3b8h h ILE 281 CO -0.03 0.34 -0.03 -0.26 0.00 0.00 0.00 178.15 178.17 3b8h h PHE 282 N 0.03 0.61 0.00 1.37 -1.00 -0.62 -2.98 116.94 114.34 3b8h h PHE 282 Ca 0.00 -0.12 -0.08 0.00 2.81 0.00 0.00 57.97 60.58 3b8h h PHE 282 Cb 0.62 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 3b8h h PHE 282 CO 0.00 0.71 -0.40 0.00 -1.61 0.00 0.00 178.31 177.01 3b8h h ARG 283 N 0.33 0.00 -0.51 1.51 2.47 -1.20 0.33 114.38 117.31 3b8h h ARG 283 Ca 0.08 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.68 3b8h h ARG 283 Cb 0.49 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 3b8h h ARG 283 CO 0.02 0.40 -0.14 -0.07 0.56 0.00 0.00 179.97 180.74 3b8h h LEU 284 N 0.00 1.01 -0.69 3.04 3.38 -1.51 0.19 115.31 120.73 3b8h h LEU 284 Ca -0.00 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 3b8h h LEU 284 Cb 0.72 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3b8h h LEU 284 CO 0.05 1.14 -0.34 -0.26 0.09 0.00 0.00 178.44 179.12 3b8h h PHE 285 N 0.87 0.74 -0.02 1.13 0.05 -1.29 -0.79 116.94 117.63 3b8h h PHE 285 Ca 0.13 -0.20 -0.15 0.00 3.82 0.00 0.00 57.97 61.57 3b8h h PHE 285 Cb 0.71 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.48 3b8h h PHE 285 CO 0.05 0.89 -0.69 1.15 -0.18 0.00 0.00 178.31 179.53 3b8h h THR 286 N 0.53 1.46 0.07 -1.55 2.02 -0.68 -2.37 112.91 112.40 3b8h h THR 286 Ca 0.06 -2.27 -0.32 0.00 0.77 0.00 0.00 66.41 64.65 3b8h h THR 286 Cb 0.84 2.22 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 3b8h h THR 286 CO 0.07 0.66 -1.75 0.00 0.37 0.00 0.00 175.52 174.87 3b8h h ALA 287 N 1.24 0.52 0.13 6.16 0.00 -0.58 -3.29 119.26 123.44 3b8h h ALA 287 Ca -0.01 -1.34 -0.24 0.00 0.00 0.00 0.00 54.91 53.32 3b8h h ALA 287 Cb 1.22 0.50 0.03 0.00 0.00 0.00 0.00 17.79 19.54 3b8h h ALA 287 CO 0.10 1.37 -1.01 0.82 0.00 0.00 0.00 179.25 180.53 3b8h h ILE 288 N 0.04 1.40 -0.43 0.00 2.04 -1.21 -2.39 117.51 116.96 3b8h h ILE 288 Ca -0.32 -2.46 -0.07 0.00 1.00 0.00 0.00 64.86 63.01 3b8h h ILE 288 Cb 2.02 2.94 -0.02 0.00 -0.74 0.00 0.00 36.82 41.02 3b8h h ILE 288 CO 0.10 0.72 -0.01 0.24 0.00 0.00 0.00 178.15 179.20 3b8h h MET 289 N -0.07 0.76 0.00 2.37 2.86 -1.62 -2.86 114.93 116.37 3b8h h MET 289 Ca -0.16 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3b8h h MET 289 Cb 1.75 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.34 3b8h h MET 289 CO 0.19 0.84 0.00 0.09 1.06 0.00 0.00 176.91 179.10 3b8h n ASN 290 N -4.39 0.00 -2.25 1.22 4.13 -1.24 -4.73 115.26 107.99 3b8h n ASN 290 Ca -0.00 -1.77 -0.15 0.00 1.68 0.00 0.00 54.58 54.34 3b8h n ASN 290 Cb 0.31 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.53 3b8h n ASN 290 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3b8h n PHE 291 N -0.55 -1.11 -2.22 3.10 3.72 -1.08 -4.85 117.46 114.46 3b8h n PHE 291 Ca 0.02 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.11 3b8h n PHE 291 Cb 0.01 -3.06 -0.04 0.00 -0.94 0.00 0.00 39.48 35.45 3b8h n PHE 291 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3b8h s LYS 292 N -4.72 2.92 0.28 -1.08 1.02 -0.90 -4.79 119.74 112.47 3b8h s LYS 292 Ca 0.00 -0.72 0.24 0.00 0.02 0.00 0.00 55.97 55.51 3b8h s LYS 292 Cb 0.00 -5.19 1.03 0.00 -0.52 0.00 0.00 37.83 33.14 3b8h s LYS 292 CO 0.00 -3.07 1.73 0.87 -0.92 0.00 0.00 175.35 173.97 3b8h h LYS 293 N 10.47 0.00 0.00 1.68 1.57 -1.89 -2.33 116.57 126.07 3b8h h LYS 293 Ca 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3b8h h LYS 293 Cb 0.99 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 3b8h h LYS 293 CO 1.29 0.00 -0.13 -0.44 -0.57 0.00 0.00 179.45 179.60 3b8h h ASP 294 N 0.00 0.00 0.00 0.86 3.32 -1.96 -3.38 116.42 115.26 3b8h h ASP 294 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 3b8h h ASP 294 Cb 0.35 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 3b8h h ASP 294 CO 0.00 0.04 -2.41 -0.62 -1.72 0.00 0.00 179.24 174.53 3b8h n GLU 295 N -3.07 0.57 -0.38 3.56 1.02 -0.91 -4.52 120.64 116.91 3b8h n GLU 295 Ca 0.03 0.20 -0.03 0.00 -0.02 0.00 0.00 57.16 57.34 3b8h n GLU 295 Cb 0.55 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.54 3b8h n GLU 295 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3b8h n ILE 296 N -3.75 -0.53 0.43 -3.67 5.41 -1.01 0.32 119.36 116.55 3b8h n ILE 296 Ca -0.47 2.26 -0.19 0.00 1.00 0.00 0.00 62.75 65.35 3b8h n ILE 296 Cb 0.90 -2.96 -0.09 0.00 -0.71 0.00 0.00 39.64 36.78 3b8h n ILE 296 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3b8h h PRO 297 N 0.00 -1.08 -0.50 0.38 0.13 -1.83 0.62 132.00 129.72 3b8h h PRO 297 Ca 0.30 0.07 0.08 0.00 -0.87 0.00 0.00 66.00 65.58 3b8h h PRO 297 Cb 0.54 0.25 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 3b8h h PRO 297 CO -0.94 -0.72 0.34 0.28 -0.23 0.00 0.00 178.00 176.72 3b8h h VAL 298 N -1.12 0.92 -0.09 1.56 2.07 -1.53 -1.12 116.25 116.94 3b8h h VAL 298 Ca -0.11 -0.12 -0.21 0.00 0.82 0.00 0.00 66.70 67.09 3b8h h VAL 298 Cb 0.88 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3b8h h VAL 298 CO 0.15 0.06 -0.79 0.25 0.02 0.00 0.00 177.57 177.26 3b8h h LEU 299 N 0.34 0.66 -0.69 2.57 5.85 0.11 -3.10 115.31 121.06 3b8h h LEU 299 Ca 0.22 -0.45 -0.13 0.00 0.84 0.00 0.00 57.88 58.36 3b8h h LEU 299 Cb 0.44 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3b8h h LEU 299 CO -0.05 1.22 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.77 3b8h h LEU 300 N 0.36 0.55 -0.20 2.25 4.07 0.31 -3.23 115.31 119.42 3b8h h LEU 300 Ca -0.05 -0.25 -0.07 0.00 0.08 0.00 0.00 57.88 57.60 3b8h h LEU 300 Cb 1.39 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.97 3b8h h LEU 300 CO 0.15 0.91 -0.14 -0.08 -1.08 0.00 0.00 178.44 178.20 3b8h h GLU 301 N 0.42 0.44 -0.04 1.13 4.81 -1.32 0.19 114.58 120.21 3b8h h GLU 301 Ca 0.03 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3b8h h GLU 301 Cb 0.92 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 3b8h h GLU 301 CO 0.08 0.76 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.89 3b8h h LYS 302 N 0.12 0.05 -0.02 1.92 3.64 -1.60 -1.11 116.57 119.57 3b8h h LYS 302 Ca 0.04 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3b8h h LYS 302 Cb 0.65 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3b8h h LYS 302 CO 0.04 0.07 -0.01 1.28 -2.27 0.00 0.00 179.45 178.56 3b8h n LEU 303 N -4.49 1.85 -2.44 5.20 4.77 -1.18 -4.95 117.00 115.76 3b8h n LEU 303 Ca -0.02 -0.62 -0.11 0.00 -0.03 0.00 0.00 56.01 55.23 3b8h n LEU 303 Cb 0.12 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3b8h n LEU 303 CO 0.35 0.31 0.08 1.21 -1.33 0.00 0.00 177.39 178.00 3b8h n GLU 304 N 0.44 -4.06 -3.95 3.23 2.13 -0.42 -5.01 120.64 113.00 3b8h n GLU 304 Ca 0.18 0.51 -0.32 0.00 0.66 0.00 0.00 57.16 58.18 3b8h n GLU 304 Cb 0.41 -4.51 -0.14 0.00 0.27 0.00 0.00 31.44 27.47 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 -3.21 2.56 -0.23 6.31 1.01 0.65 -4.98 121.20 123.30 3b8h s ILE 305 Ca 0.04 -2.39 -0.14 0.00 0.00 0.00 0.00 60.65 58.17 3b8h s ILE 305 Cb -0.02 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 3b8h s ILE 305 CO 0.44 -0.64 0.32 0.68 0.00 0.00 0.00 174.94 175.73 3b8h s VAL 306 N 0.82 5.24 0.40 2.92 -7.23 -1.26 -4.48 120.40 116.81 3b8h s VAL 306 Ca 0.11 0.51 -0.17 0.00 -1.81 0.00 0.00 61.98 60.61 3b8h s VAL 306 Cb -0.20 -3.65 -0.09 0.00 0.56 0.00 0.00 36.38 32.99 3b8h s VAL 306 CO -0.06 0.26 0.86 -0.76 -0.31 0.00 0.00 175.10 175.08 3b8h s LEU 307 N 1.44 3.94 -0.31 1.32 1.43 -1.26 -4.96 118.68 120.27 3b8h s LEU 307 Ca 0.14 1.47 -0.04 0.00 -1.03 0.00 0.00 54.13 54.68 3b8h s LEU 307 Cb -0.15 -4.32 0.01 0.00 0.03 0.00 0.00 46.19 41.76 3b8h s LEU 307 CO 0.08 -0.33 2.80 0.29 0.23 0.00 0.00 176.35 179.42 3b8h n LYS 308 N -0.71 2.15 0.00 1.70 4.76 -1.26 -4.91 118.16 119.89 3b8h n LYS 308 Ca 0.05 -1.81 0.00 0.00 -2.87 0.00 0.00 58.31 53.68 3b8h n LYS 308 Cb 0.54 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 3b8h n LYS 308 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b8h n GLY 309 N 1.18 1.56 0.34 0.72 0.00 -1.26 -4.01 105.19 103.71 3b8h n GLY 309 Ca 0.42 0.18 0.18 0.00 0.00 0.00 0.00 46.02 46.80 3b8h n GLY 309 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3b8h h ASP 310 N 0.00 0.00 0.07 1.61 -0.00 -2.04 0.17 116.42 116.23 3b8h h ASP 310 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3b8h h ASP 310 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3b8h h ASP 310 CO 0.00 0.00 -0.03 -0.62 -0.00 0.00 0.00 179.24 178.59 3b8h n GLU 311 N -3.49 1.23 -0.03 0.28 1.02 -1.26 -3.88 120.64 114.52 3b8h n GLU 311 Ca -0.00 -0.49 -0.15 0.00 -0.02 0.00 0.00 57.16 56.50 3b8h n GLU 311 Cb 0.27 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.09 3b8h n GLU 311 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3b8h h LYS 312 N 1.19 0.17 0.00 3.49 1.79 -0.98 -3.28 116.57 118.96 3b8h h LYS 312 Ca 0.00 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 3b8h h LYS 312 Cb 0.31 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3b8h h LYS 312 CO 0.00 0.94 0.00 -0.40 -1.08 0.00 0.00 179.45 178.91 3b8h n ASP 313 N -4.49 0.00 -4.75 0.86 5.68 -1.25 -4.80 116.55 107.79 3b8h n ASP 313 Ca -0.10 0.39 -0.41 0.00 -0.50 0.00 0.00 54.79 54.17 3b8h n ASP 313 Cb 0.52 -0.45 -0.02 0.00 -1.14 0.00 0.00 41.12 40.03 3b8h n ASP 313 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3b8h s LEU 314 N -2.90 4.38 0.28 -2.12 1.43 -1.24 -5.02 118.68 113.49 3b8h s LEU 314 Ca 0.11 2.76 0.02 0.00 -1.03 0.00 0.00 54.13 55.98 3b8h s LEU 314 Cb 0.12 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 3b8h s LEU 314 CO 0.31 -0.73 0.13 -1.61 0.23 0.00 0.00 176.35 174.67 3b8h s GLU 315 N -0.77 1.50 3.45 1.70 2.02 -1.26 -4.45 118.70 120.89 3b8h s GLU 315 Ca 0.58 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.73 3b8h s GLU 315 Cb -0.43 -0.19 0.00 0.00 0.10 0.00 0.00 34.13 33.61 3b8h s GLU 315 CO 0.47 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.79 3b8h n GLY 316 N -0.52 0.93 0.33 -1.39 0.00 -1.24 -2.49 105.19 100.80 3b8h n GLY 316 Ca 0.00 -0.74 0.19 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 0.00 -0.17 1.61 1.57 -1.94 -0.42 116.57 117.22 3b8h h LYS 317 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3b8h h LYS 317 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3b8h h LYS 317 CO 0.00 0.00 -0.42 0.00 -0.57 0.00 0.00 179.45 178.46 3b8h h ALA 318 N 1.68 0.96 0.19 3.86 0.00 -1.88 -2.73 119.26 121.34 3b8h h ALA 318 Ca 0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 54.91 54.13 3b8h h ALA 318 Cb 0.31 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3b8h h ALA 318 CO 0.00 0.63 -1.67 1.25 0.00 0.00 0.00 179.25 179.46 3b8h h LEU 319 N 0.33 0.64 -0.68 0.00 5.85 -0.97 -3.34 115.31 117.15 3b8h h LEU 319 Ca 0.03 -0.88 -0.05 0.00 0.84 0.00 0.00 57.88 57.82 3b8h h LEU 319 Cb 0.88 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3b8h h LEU 319 CO 0.07 1.73 0.24 0.25 -0.34 0.00 0.00 178.44 180.39 3b8h h LEU 320 N 0.11 0.96 -1.93 2.25 5.85 -1.51 -1.44 115.31 119.59 3b8h h LEU 320 Ca -0.31 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3b8h h LEU 320 Cb 2.11 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 3b8h h LEU 320 CO 0.20 0.89 -0.10 0.11 -0.34 0.00 0.00 178.44 179.19 3b8h h LYS 321 N 0.97 0.00 0.17 1.25 1.57 -1.65 -1.97 116.57 116.92 3b8h h LYS 321 Ca 0.22 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.65 3b8h h LYS 321 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3b8h h LYS 321 CO -0.01 0.10 -1.78 0.28 -0.57 0.00 0.00 179.45 177.46 3b8h h VAL 322 N 0.00 0.87 -0.11 0.50 2.07 -1.54 -3.21 116.25 114.84 3b8h h VAL 322 Ca -0.00 -2.47 -0.08 0.00 0.82 0.00 0.00 66.70 64.97 3b8h h VAL 322 Cb 0.34 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 3b8h h VAL 322 CO 0.01 0.86 -0.31 0.58 0.02 0.00 0.00 177.57 178.73 3b8h h VAL 323 N 0.07 1.26 0.00 2.57 2.07 -1.10 -2.93 116.25 118.19 3b8h h VAL 323 Ca -0.36 -1.25 -0.17 0.00 0.82 0.00 0.00 66.70 65.74 3b8h h VAL 323 Cb 2.06 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 3b8h h VAL 323 CO 0.15 0.38 -0.79 0.24 0.02 0.00 0.00 177.57 177.57 3b8h h MET 324 N 0.19 0.00 0.02 1.57 2.07 -1.50 -2.11 114.93 115.17 3b8h h MET 324 Ca 0.03 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.65 3b8h h MET 324 Cb 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.38 3b8h h MET 324 CO 0.05 0.79 -0.01 0.00 1.07 0.00 0.00 176.91 178.81 3b8h h ARG 325 N 0.00 -0.03 0.03 1.72 3.08 -1.51 -1.35 114.38 116.31 3b8h h ARG 325 Ca -0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 3b8h h ARG 325 Cb 1.41 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 3b8h h ARG 325 CO 0.10 0.09 -0.97 0.87 -1.07 0.00 0.00 179.97 179.00 3b8h h LYS 326 N -0.14 0.20 0.20 0.04 1.57 -1.63 -2.49 116.57 114.33 3b8h h LYS 326 Ca -0.00 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 3b8h h LYS 326 Cb 0.13 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3b8h h LYS 326 CO 0.00 1.02 -0.10 0.35 -0.57 0.00 0.00 179.45 180.16 3b8h h PHE 327 N 0.10 -0.25 -2.20 -1.35 3.57 -1.35 -3.40 116.94 112.06 3b8h h PHE 327 Ca -0.06 -0.01 -0.50 0.00 3.53 0.00 0.00 57.97 60.93 3b8h h PHE 327 Cb 1.63 0.08 -0.35 0.00 2.79 0.00 0.00 35.95 40.11 3b8h h PHE 327 CO 0.03 -0.01 -0.84 -0.51 -2.23 0.00 0.00 178.31 174.75 3b8h s LEU 328 N -9.79 0.73 -0.19 0.59 1.43 -0.52 -5.08 118.68 105.85 3b8h s LEU 328 Ca -0.15 -2.44 -0.34 0.00 -1.03 0.00 0.00 54.13 50.17 3b8h s LEU 328 Cb 0.04 0.00 -0.11 0.00 0.03 0.00 0.00 46.19 46.15 3b8h s LEU 328 CO 0.62 -0.21 2.00 -2.65 0.23 0.00 0.00 176.35 176.34 3b8h n PRO 329 N 3.40 1.80 -0.33 1.29 -0.02 -0.94 -1.98 135.00 138.23 3b8h n PRO 329 Ca 0.21 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3b8h n PRO 329 Cb 0.46 -2.65 0.13 0.00 -0.02 0.00 0.00 33.50 31.42 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 10.71 1.23 -0.46 3.55 0.00 -1.71 -2.65 119.26 129.94 3b8h h ALA 330 Ca -0.42 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.47 3b8h h ALA 330 Cb 1.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3b8h h ALA 330 CO 0.97 0.40 0.30 0.00 0.00 0.00 0.00 179.25 180.93 3b8h h ALA 331 N 1.40 1.70 0.03 0.00 0.00 -1.87 -2.31 119.26 118.20 3b8h h ALA 331 Ca 0.38 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.99 3b8h h ALA 331 Cb 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.71 3b8h h ALA 331 CO -0.14 0.27 -1.04 -0.44 0.00 0.00 0.00 179.25 177.89 3b8h h ASP 332 N 0.60 0.87 0.32 0.00 5.19 -1.83 -1.04 116.42 120.52 3b8h h ASP 332 Ca 0.17 -0.76 -0.01 0.00 -0.62 0.00 0.00 57.03 55.81 3b8h h ASP 332 Cb -0.03 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.21 3b8h h ASP 332 CO -0.04 1.52 -0.05 0.00 -3.12 0.00 0.00 179.24 177.55 3b8h h ALA 333 N 0.36 1.20 0.00 3.45 0.00 -1.43 0.10 119.26 122.95 3b8h h ALA 333 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3b8h h ALA 333 Cb 1.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3b8h h ALA 333 CO 0.20 0.06 -0.87 1.28 0.00 0.00 0.00 179.25 179.93 3b8h n LEU 334 N -3.43 0.63 0.01 0.00 4.77 -0.89 -3.76 117.00 114.33 3b8h n LEU 334 Ca -0.02 0.02 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3b8h n LEU 334 Cb 0.18 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3b8h n LEU 334 CO 0.26 0.04 -0.14 0.18 -1.33 0.00 0.00 177.39 176.40 3b8h n LEU 335 N -1.93 0.60 0.09 2.23 4.77 -0.41 -4.35 117.00 118.00 3b8h n LEU 335 Ca 0.03 -0.14 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 3b8h n LEU 335 Cb 0.42 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 3b8h n LEU 335 CO 0.39 0.09 0.20 -0.08 -1.33 0.00 0.00 177.39 176.66 3b8h h GLU 336 N 0.00 -0.25 -0.94 3.23 4.81 -0.94 -3.30 114.58 117.18 3b8h h GLU 336 Ca 0.00 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.39 3b8h h GLU 336 Cb 0.71 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.07 3b8h h GLU 336 CO 0.00 -0.17 0.60 0.52 -0.73 0.00 0.00 179.01 179.23 3b8h h MET 337 N -0.55 0.76 -0.04 1.92 2.86 -1.81 -2.29 114.93 115.78 3b8h h MET 337 Ca -0.03 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3b8h h MET 337 Cb 0.20 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3b8h h MET 337 CO 0.04 0.50 -0.29 0.82 1.06 0.00 0.00 176.91 179.05 3b8h h ILE 338 N 0.78 0.00 -0.12 -1.22 1.08 -1.76 0.62 117.51 116.89 3b8h h ILE 338 Ca 0.48 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.95 3b8h h ILE 338 Cb 0.70 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 3b8h h ILE 338 CO -0.25 0.00 0.05 0.58 -0.69 0.00 0.00 178.15 177.84 3b8h h VAL 339 N -0.33 1.16 -0.96 1.67 2.07 -1.59 -1.04 116.25 117.22 3b8h h VAL 339 Ca 0.01 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.09 3b8h h VAL 339 Cb 0.37 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3b8h h VAL 339 CO -0.21 0.14 0.64 -0.07 0.02 0.00 0.00 177.57 178.08 3b8h h LEU 340 N 0.03 1.07 0.00 2.57 3.38 -1.30 -3.39 115.31 117.67 3b8h h LEU 340 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3b8h h LEU 340 Cb 0.18 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3b8h h LEU 340 CO -0.00 0.75 -0.36 1.41 0.09 0.00 0.00 178.44 180.32 3b8h n HIS 341 N -4.42 0.00 -1.61 1.13 8.25 0.20 -4.67 115.22 114.10 3b8h n HIS 341 Ca 0.12 0.00 -0.57 0.00 -0.26 0.00 0.00 57.72 57.01 3b8h n HIS 341 Cb 0.07 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 30.92 3b8h n HIS 341 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3b8h n LEU 342 N -3.66 1.24 -4.53 2.41 4.77 -0.40 -4.93 117.00 111.90 3b8h n LEU 342 Ca -0.05 1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 56.76 3b8h n LEU 342 Cb 0.19 -1.06 0.24 0.00 -2.33 0.00 0.00 43.42 40.46 3b8h n LEU 342 CO 0.08 -1.16 0.57 -2.16 -1.33 0.00 0.00 177.39 173.39 3b8h s PRO 343 N 1.26 -1.34 0.37 3.23 0.04 -1.26 -4.76 135.00 132.54 3b8h s PRO 343 Ca 0.92 0.15 0.08 0.00 0.04 0.00 0.00 61.00 62.19 3b8h s PRO 343 Cb -1.14 -1.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 3b8h s PRO 343 CO 0.58 -3.83 0.08 -1.54 0.04 0.00 0.00 177.00 172.32 3b8h s SER 344 N -3.52 4.28 0.58 6.66 1.04 -1.26 -4.56 113.70 116.92 3b8h s SER 344 Ca 0.69 -1.02 0.28 0.00 0.48 0.00 0.00 55.95 56.38 3b8h s SER 344 Cb -0.13 -0.53 1.53 0.00 0.10 0.00 0.00 66.02 66.99 3b8h s SER 344 CO 0.58 -0.35 1.84 -0.65 0.98 0.00 0.00 173.24 175.64 3b8h h PRO 345 N 1.67 0.00 0.04 4.02 0.11 -1.75 0.33 132.00 136.41 3b8h h PRO 345 Ca -0.43 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.45 3b8h h PRO 345 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3b8h h PRO 345 CO 0.68 0.00 -1.02 0.28 -0.21 0.00 0.00 178.00 177.74 3b8h h VAL 346 N 0.00 1.47 0.11 3.15 2.07 -1.93 -3.23 116.25 117.90 3b8h h VAL 346 Ca 0.00 -2.72 -0.01 0.00 0.82 0.00 0.00 66.70 64.80 3b8h h VAL 346 Cb 0.53 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3b8h h VAL 346 CO 0.00 0.80 -0.06 0.74 0.02 0.00 0.00 177.57 179.07 3b8h h THR 347 N 0.14 0.00 -0.17 2.57 2.02 -0.75 -3.33 112.91 113.39 3b8h h THR 347 Ca -0.08 -0.44 0.05 0.00 0.77 0.00 0.00 66.41 66.70 3b8h h THR 347 Cb 1.69 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 3b8h h THR 347 CO 0.17 0.00 -0.39 0.00 0.37 0.00 0.00 175.52 175.66 3b8h h ALA 348 N -1.49 -0.50 0.00 6.16 0.00 -1.59 -1.14 119.26 120.71 3b8h h ALA 348 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3b8h h ALA 348 Cb 0.12 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3b8h h ALA 348 CO 0.03 -0.88 0.11 1.96 0.00 0.00 0.00 179.25 180.47 3b8h h GLN 349 N -0.44 0.00 -0.06 0.00 4.20 -1.75 0.41 115.11 117.47 3b8h h GLN 349 Ca 0.09 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 3b8h h GLN 349 Cb 0.60 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3b8h h GLN 349 CO -0.41 0.00 -0.65 0.00 -0.67 0.00 0.00 178.83 177.10 3b8h h ALA 350 N 1.74 0.79 -0.00 3.87 0.00 -1.28 -2.93 119.26 121.45 3b8h h ALA 350 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3b8h h ALA 350 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3b8h h ALA 350 CO 0.00 0.76 -0.17 2.48 0.00 0.00 0.00 179.25 182.32 3b8h n TYR 351 N -3.84 0.00 0.28 0.00 0.18 -0.02 -4.62 117.16 109.13 3b8h n TYR 351 Ca -0.03 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.81 3b8h n TYR 351 Cb 0.65 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.69 3b8h n TYR 351 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 3b8h n ARG 352 N -0.71 1.27 0.04 -3.48 0.63 0.13 -4.63 116.66 109.91 3b8h n ARG 352 Ca 0.02 -1.44 -0.12 0.00 -0.92 0.00 0.00 57.85 55.38 3b8h n ARG 352 Cb 0.10 -1.23 -0.09 0.00 0.45 0.00 0.00 32.46 31.68 3b8h n ARG 352 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3b8h h ALA 353 N 2.17 -0.17 -0.96 5.13 0.00 -1.72 -2.96 119.26 120.75 3b8h h ALA 353 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.80 3b8h h ALA 353 Cb 0.55 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 3b8h h ALA 353 CO 0.00 -0.32 0.59 1.05 0.00 0.00 0.00 179.25 180.57 3b8h h GLU 354 N -0.72 0.89 0.00 0.00 4.11 -1.87 0.66 114.58 117.66 3b8h h GLU 354 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3b8h h GLU 354 Cb 0.53 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3b8h h GLU 354 CO 0.03 0.59 0.00 0.37 0.07 0.00 0.00 179.01 180.07 3b8h h GLN 355 N 0.92 0.00 -0.26 1.06 4.15 -1.84 -3.07 115.11 116.07 3b8h h GLN 355 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.90 3b8h h GLN 355 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3b8h h GLN 355 CO -0.28 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 177.90 3b8h n LEU 356 N -2.74 2.67 -3.99 -2.39 4.77 0.14 -4.85 117.00 110.61 3b8h n LEU 356 Ca 0.01 -1.75 -0.30 0.00 -0.03 0.00 0.00 56.01 53.94 3b8h n LEU 356 Cb 0.28 -0.17 -0.16 0.00 -2.33 0.00 0.00 43.42 41.04 3b8h n LEU 356 CO 0.25 0.64 -0.47 -0.47 -1.33 0.00 0.00 177.39 176.01 3b8h s TYR 357 N -0.98 2.08 -0.23 -1.77 5.04 -0.66 -3.21 117.35 117.61 3b8h s TYR 357 Ca 0.21 -1.22 -0.00 0.00 -2.44 0.00 0.00 57.07 53.62 3b8h s TYR 357 Cb 0.11 -1.53 0.18 0.00 0.35 0.00 0.00 41.96 41.07 3b8h s TYR 357 CO 0.15 -0.66 1.91 0.39 -1.34 0.00 0.00 175.55 176.00 3b8h n GLU 358 N 4.79 1.59 -1.31 4.97 1.02 -1.23 -4.84 120.64 125.63 3b8h n GLU 358 Ca -0.15 -1.19 0.00 0.00 -0.02 0.00 0.00 57.16 55.80 3b8h n GLU 358 Cb 0.49 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3b8h n GLU 358 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b8h n GLY 359 N 0.50 4.71 3.67 0.62 0.00 -1.26 -4.74 105.19 108.69 3b8h n GLY 359 Ca 0.23 -1.74 -0.46 0.00 0.00 0.00 0.00 46.02 44.05 3b8h n GLY 359 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3b8h n PRO 360 N 0.00 2.09 0.08 1.61 -0.02 -1.26 -4.84 135.00 132.66 3b8h n PRO 360 Ca 0.00 0.75 0.08 0.00 -2.02 0.00 0.00 63.50 62.31 3b8h n PRO 360 Cb 0.00 -2.50 0.38 0.00 -0.02 0.00 0.00 33.50 31.36 3b8h n PRO 360 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b8h n ALA 361 N 3.12 1.35 -0.05 3.55 0.00 -1.26 -1.15 120.51 126.07 3b8h n ALA 361 Ca 0.16 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.71 3b8h n ALA 361 Cb 0.29 -1.26 0.09 0.00 0.00 0.00 0.00 19.45 18.57 3b8h n ALA 361 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3b8h n ASP 362 N -1.94 2.45 -4.70 0.00 5.68 -1.26 -4.68 116.55 112.11 3b8h n ASP 362 Ca 0.01 -1.90 -0.39 0.00 -0.50 0.00 0.00 54.79 52.01 3b8h n ASP 362 Cb 0.11 -0.13 0.04 0.00 -1.14 0.00 0.00 41.12 40.00 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 0.19 2.15 0.06 -1.12 2.03 -0.30 -4.81 116.55 114.75 3b8h n ASP 363 Ca 0.07 0.98 0.21 0.00 0.52 0.00 0.00 54.79 56.57 3b8h n ASP 363 Cb 0.34 -1.50 0.74 0.00 -0.72 0.00 0.00 41.12 39.97 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 2.21 0.06 -1.67 0.00 -1.96 -2.13 119.26 117.17 3b8h h ALA 364 Ca -0.49 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 3b8h h ALA 364 Cb 1.32 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3b8h h ALA 364 CO 0.56 -0.69 -1.07 -0.91 0.00 0.00 0.00 179.25 177.15 3b8h h ASN 365 N 0.00 0.20 -0.56 0.00 4.21 -1.93 -3.12 115.58 114.38 3b8h h ASN 365 Ca 0.22 -0.79 0.09 0.00 1.21 0.00 0.00 56.30 57.03 3b8h h ASN 365 Cb 1.11 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 38.22 3b8h h ASN 365 CO -0.00 1.45 0.38 0.00 -1.29 0.00 0.00 177.43 177.97 3b8h h ILE 367 N 0.36 1.27 0.00 0.00 2.04 -1.53 -2.18 117.51 117.48 3b8h h ILE 367 Ca 0.26 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3b8h h ILE 367 Cb 0.53 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3b8h h ILE 367 CO -0.07 0.46 0.00 0.00 0.00 0.00 0.00 178.15 178.54 3b8h n ALA 368 N -2.50 1.38 -0.06 1.87 0.00 0.42 -1.75 120.51 119.87 3b8h n ALA 368 Ca -0.01 0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 3b8h n ALA 368 Cb 0.44 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 3b8h n ALA 368 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3b8h h ILE 369 N 0.00 1.18 -0.96 0.00 1.08 -0.60 -1.66 117.51 116.56 3b8h h ILE 369 Ca 0.00 -2.29 0.01 0.00 -0.39 0.00 0.00 64.86 62.19 3b8h h ILE 369 Cb 0.18 2.68 -0.05 0.00 -3.07 0.00 0.00 36.82 36.57 3b8h h ILE 369 CO 0.00 0.51 0.63 0.11 -0.69 0.00 0.00 178.15 178.71 3b8h h LYS 370 N -0.79 1.27 0.00 2.37 1.57 -1.17 -1.72 116.57 118.10 3b8h h LYS 370 Ca -0.24 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3b8h h LYS 370 Cb 1.36 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3b8h h LYS 370 CO -0.07 0.85 -0.02 0.09 -0.57 0.00 0.00 179.45 179.72 3b8h n ASN 371 N -4.38 0.47 -3.12 0.86 3.02 -0.72 -3.68 115.26 107.71 3b8h n ASN 371 Ca 0.11 0.52 -0.21 0.00 -0.03 0.00 0.00 54.58 54.97 3b8h n ASN 371 Cb 0.02 -0.63 0.01 0.00 -0.61 0.00 0.00 39.78 38.56 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 -2.60 5.98 -0.06 0.00 2.15 -0.66 -4.72 116.67 116.77 3b8h s ASP 373 Ca 0.31 1.56 0.01 0.00 0.43 0.00 0.00 52.55 54.86 3b8h s ASP 373 Cb -0.15 -2.53 0.11 0.00 -0.30 0.00 0.00 42.92 40.05 3b8h s ASP 373 CO 0.38 -1.59 1.04 -0.81 -0.17 0.00 0.00 175.17 174.02 3b8h n PRO 374 N 8.23 1.29 0.00 4.34 -0.04 -1.26 -1.06 135.00 146.50 3b8h n PRO 374 Ca 0.23 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 3b8h n PRO 374 Cb 0.46 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.21 2.13 -0.23 0.54 4.76 -1.26 -4.15 118.16 120.15 3b8h n LYS 375 Ca 0.08 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.45 3b8h n LYS 375 Cb 0.62 -0.94 0.06 0.00 -1.84 0.00 0.00 35.03 32.93 3b8h n LYS 375 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3b8h n ALA 376 N -2.05 -0.89 -1.74 7.82 0.00 -1.24 -4.85 120.51 117.56 3b8h n ALA 376 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 3b8h n ALA 376 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 3b8h n ALA 376 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3b8h n ASP 377 N -3.48 3.44 -4.73 0.00 8.00 -1.26 -3.76 116.55 114.76 3b8h n ASP 377 Ca 0.04 1.20 -0.42 0.00 0.71 0.00 0.00 54.79 56.31 3b8h n ASP 377 Cb 0.14 -1.56 -0.01 0.00 -0.02 0.00 0.00 41.12 39.67 3b8h n ASP 377 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3b8h n LEU 378 N 1.02 3.99 -3.13 0.64 7.94 -1.26 -3.72 117.00 122.47 3b8h n LEU 378 Ca 0.04 1.20 -0.21 0.00 -1.11 0.00 0.00 56.01 55.93 3b8h n LEU 378 Cb 0.37 -1.53 -0.05 0.00 0.53 0.00 0.00 43.42 42.74 3b8h n LEU 378 CO 0.63 -0.21 -0.23 0.23 -1.11 0.00 0.00 177.39 176.71 3b8h n MET 379 N 0.86 0.74 -3.28 1.96 2.81 -0.91 -3.25 117.12 116.05 3b8h n MET 379 Ca 0.05 -3.04 -0.38 0.00 -1.81 0.00 0.00 57.70 52.52 3b8h n MET 379 Cb 0.37 -1.28 -0.06 0.00 -0.71 0.00 0.00 33.22 31.54 3b8h n MET 379 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3b8h s LEU 380 N -1.24 4.26 -0.22 4.03 0.20 -0.53 -1.19 118.68 123.99 3b8h s LEU 380 Ca 0.35 0.82 -0.09 0.00 0.69 0.00 0.00 54.13 55.90 3b8h s LEU 380 Cb 0.19 -2.73 -0.05 0.00 -0.43 0.00 0.00 46.19 43.18 3b8h s LEU 380 CO -0.12 -0.04 0.13 -0.47 -0.29 0.00 0.00 176.35 175.55 3b8h s TYR 381 N 0.80 3.29 -0.27 5.38 5.04 -0.33 -1.23 117.35 130.03 3b8h s TYR 381 Ca 0.27 0.15 -0.14 0.00 -2.44 0.00 0.00 57.07 54.91 3b8h s TYR 381 Cb -0.15 -2.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.91 3b8h s TYR 381 CO 0.11 0.08 0.31 0.08 -1.34 0.00 0.00 175.55 174.79 3b8h s VAL 382 N 0.85 5.22 -0.21 3.14 1.01 -0.66 -1.05 120.40 128.71 3b8h s VAL 382 Ca 0.06 0.44 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 3b8h s VAL 382 Cb -0.13 -3.64 -0.20 0.00 0.00 0.00 0.00 36.38 32.41 3b8h s VAL 382 CO 0.03 0.19 0.00 -1.20 0.00 0.00 0.00 175.10 174.12 3b8h n SER 383 N 5.24 2.01 -3.61 3.32 7.64 0.15 -3.09 113.62 125.29 3b8h n SER 383 Ca -0.10 0.12 -0.16 0.00 1.01 0.00 0.00 58.87 59.74 3b8h n SER 383 Cb 0.51 -0.70 -0.07 0.00 -1.01 0.00 0.00 64.21 62.94 3b8h n SER 383 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3b8h s LYS 384 N -2.51 0.90 0.03 1.43 -2.85 -0.99 -4.63 119.74 111.11 3b8h s LYS 384 Ca -0.31 0.18 -0.17 0.00 -1.00 0.00 0.00 55.97 54.68 3b8h s LYS 384 Cb 0.09 0.42 -0.06 0.00 -2.06 0.00 0.00 37.83 36.21 3b8h s LYS 384 CO 0.64 -0.26 0.48 -1.64 0.10 0.00 0.00 175.35 174.67 3b8h s MET 385 N -1.06 4.05 -0.09 1.78 -1.94 -1.24 -0.46 119.30 120.34 3b8h s MET 385 Ca -0.11 0.56 0.03 0.00 -1.71 0.00 0.00 55.69 54.46 3b8h s MET 385 Cb -0.02 -3.23 0.00 0.00 2.01 0.00 0.00 34.83 33.59 3b8h s MET 385 CO 0.07 0.66 -0.20 0.54 -0.01 0.00 0.00 175.02 176.08 3b8h s VAL 386 N -1.06 1.78 0.50 -6.03 0.11 -0.24 -4.95 120.40 110.50 3b8h s VAL 386 Ca 0.26 -0.85 -0.22 0.00 -2.93 0.00 0.00 61.98 58.24 3b8h s VAL 386 Cb -0.18 -1.55 -0.08 0.00 -1.53 0.00 0.00 36.38 33.04 3b8h s VAL 386 CO 0.16 0.50 1.03 -2.65 -3.33 0.00 0.00 175.10 170.81 3b8h n PRO 387 N 3.62 1.27 -4.22 1.54 -0.02 -1.26 -1.64 135.00 134.28 3b8h n PRO 387 Ca -0.20 0.46 -0.16 0.00 -2.02 0.00 0.00 63.50 61.58 3b8h n PRO 387 Cb 0.53 -2.16 -0.11 0.00 -0.02 0.00 0.00 33.50 31.74 3b8h n PRO 387 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3b8h s THR 388 N -1.37 1.17 0.16 3.45 -4.23 -1.05 -3.01 115.64 110.76 3b8h s THR 388 Ca 0.68 -1.72 0.14 0.00 -1.18 0.00 0.00 61.69 59.60 3b8h s THR 388 Cb -0.49 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 71.88 3b8h s THR 388 CO 0.53 -0.51 1.60 0.77 -0.54 0.00 0.00 174.62 176.47 3b8h h SER 389 N 3.45 0.00 -0.95 3.99 4.64 -1.37 -3.41 113.55 119.91 3b8h h SER 389 Ca -0.38 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.68 3b8h h SER 389 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3b8h h SER 389 CO 0.53 0.56 0.74 -0.62 -0.87 0.00 0.00 176.83 177.17 3b8h s ASP 390 N -6.62 4.61 0.86 4.97 2.15 -1.26 -4.76 116.67 116.61 3b8h s ASP 390 Ca 0.00 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.02 3b8h s ASP 390 Cb 0.11 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3b8h s ASP 390 CO 0.74 -3.10 0.00 1.17 -0.17 0.00 0.00 175.17 173.81 3b8h n LYS 391 N 8.92 0.00 -0.21 4.34 3.00 -1.26 -2.52 118.16 130.43 3b8h n LYS 391 Ca 0.39 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.73 3b8h n LYS 391 Cb 0.48 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.63 3b8h n LYS 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3b8h n GLY 392 N 0.00 1.04 3.66 3.14 0.00 -1.26 -4.71 105.19 107.05 3b8h n GLY 392 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.63 0.83 -0.00 1.61 1.81 -1.05 -4.83 118.95 115.68 3b8h s ARG 393 Ca 0.17 1.49 0.04 0.00 -1.72 0.00 0.00 55.73 55.71 3b8h s ARG 393 Cb 0.11 -1.71 -0.01 0.00 -0.45 0.00 0.00 34.95 32.89 3b8h s ARG 393 CO 0.09 -2.74 -0.13 -0.06 -0.68 0.00 0.00 175.30 171.77 3b8h s PHE 394 N -2.63 1.13 -0.16 -0.53 0.08 -1.26 -2.54 117.98 112.07 3b8h s PHE 394 Ca 0.67 -0.23 -0.07 0.00 0.12 0.00 0.00 56.93 57.42 3b8h s PHE 394 Cb -0.23 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.46 3b8h s PHE 394 CO 0.59 -0.01 0.07 0.71 -0.10 0.00 0.00 175.22 176.47 3b8h s TYR 395 N -0.37 3.31 0.27 0.36 2.02 -0.65 -3.90 117.35 118.39 3b8h s TYR 395 Ca 0.04 0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 56.64 3b8h s TYR 395 Cb -0.05 -2.01 -0.09 0.00 -0.40 0.00 0.00 41.96 39.40 3b8h s TYR 395 CO -0.00 0.33 1.10 0.00 -1.57 0.00 0.00 175.55 175.40 3b8h s ALA 396 N -0.10 3.40 -0.10 3.71 0.00 -0.03 -1.08 121.76 127.57 3b8h s ALA 396 Ca 0.07 0.89 0.04 0.00 0.00 0.00 0.00 51.96 52.96 3b8h s ALA 396 Cb -0.12 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 3b8h s ALA 396 CO 0.01 -0.16 -0.24 0.12 0.00 0.00 0.00 175.76 175.49 3b8h s PHE 397 N -1.05 2.56 0.00 0.00 5.36 0.39 -0.24 117.98 125.00 3b8h s PHE 397 Ca 0.45 -1.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.41 3b8h s PHE 397 Cb -0.32 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 3b8h s PHE 397 CO 0.40 -0.40 0.00 0.41 -1.46 0.00 0.00 175.22 174.18 3b8h n GLY 398 N 3.48 1.64 2.93 13.12 0.00 -0.92 0.33 105.19 125.76 3b8h n GLY 398 Ca -0.19 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 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 0.03 1.00 -0.32 1.61 3.52 -0.21 -1.82 118.95 122.76 3b8h s ARG 399 Ca 0.00 -0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.12 3b8h s ARG 399 Cb 0.00 -0.93 0.01 0.00 -1.56 0.00 0.00 34.95 32.47 3b8h s ARG 399 CO 0.00 -0.03 1.18 0.08 -0.81 0.00 0.00 175.30 175.73 3b8h s VAL 400 N 0.72 4.32 -0.38 7.11 1.01 -0.67 -1.18 120.40 131.33 3b8h s VAL 400 Ca -0.11 1.51 0.22 0.00 0.00 0.00 0.00 61.98 63.60 3b8h s VAL 400 Cb -0.14 -4.30 -0.25 0.00 0.00 0.00 0.00 36.38 31.70 3b8h s VAL 400 CO 0.01 -0.50 0.73 0.49 0.00 0.00 0.00 175.10 175.83 3b8h n PHE 401 N 7.24 0.12 -3.57 5.22 3.72 -0.34 0.89 117.46 130.74 3b8h n PHE 401 Ca 0.13 0.04 -0.10 0.00 -0.05 0.00 0.00 57.45 57.46 3b8h n PHE 401 Cb 0.47 -0.41 -0.02 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 -3.33 -1.39 0.00 4.37 0.00 -1.20 -4.32 121.76 115.90 3b8h s ALA 402 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3b8h s ALA 402 Cb 0.14 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.13 3b8h s ALA 402 CO 0.87 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3b8h n GLY 403 N -0.38 0.88 2.85 0.00 0.00 -0.23 -2.13 105.19 106.17 3b8h n GLY 403 Ca -0.13 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 3b8h n GLY 403 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b8h s THR 404 N 0.00 -0.01 -0.09 2.61 -4.23 -1.26 -2.32 115.64 110.35 3b8h s THR 404 Ca 0.00 0.05 -0.15 0.00 -1.18 0.00 0.00 61.69 60.42 3b8h s THR 404 Cb 0.00 -0.03 -0.05 0.00 1.34 0.00 0.00 72.50 73.76 3b8h s THR 404 CO 0.00 0.02 0.36 0.54 -0.54 0.00 0.00 174.62 175.01 3b8h s VAL 405 N 0.26 5.19 0.14 2.29 0.11 -0.96 -4.90 120.40 122.53 3b8h s VAL 405 Ca -0.02 0.72 0.07 0.00 -2.93 0.00 0.00 61.98 59.82 3b8h s VAL 405 Cb -0.03 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.10 3b8h s VAL 405 CO -0.01 0.47 -0.16 -0.54 -3.33 0.00 0.00 175.10 171.52 3b8h s LYS 406 N -0.20 1.16 0.05 1.54 1.02 -1.26 -0.80 119.74 121.25 3b8h s LYS 406 Ca 0.21 -1.33 -0.31 0.00 0.02 0.00 0.00 55.97 54.57 3b8h s LYS 406 Cb -0.15 -1.13 -0.07 0.00 -0.52 0.00 0.00 37.83 35.96 3b8h s LYS 406 CO 0.09 0.23 1.40 -1.12 -0.92 0.00 0.00 175.35 175.03 3b8h s SER 407 N -2.55 6.84 0.00 2.83 0.01 -0.84 -2.34 113.70 117.64 3b8h s SER 407 Ca 0.12 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.60 3b8h s SER 407 Cb -0.05 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3b8h s SER 407 CO 0.05 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.62 3b8h n GLY 408 N 3.59 3.18 3.67 3.44 0.00 0.29 -5.01 105.19 114.35 3b8h n GLY 408 Ca 0.12 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.33 2.16 -2.72 1.61 7.27 -0.99 -4.27 117.38 119.11 3b8h n GLN 409 Ca 0.00 0.78 -0.41 0.00 0.07 0.00 0.00 57.00 57.44 3b8h n GLN 409 Cb 0.00 -2.57 -0.04 0.00 2.41 0.00 0.00 30.24 30.04 3b8h n GLN 409 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 3b8h s LYS 410 N 1.78 4.68 0.05 3.69 -2.85 -1.26 -1.15 119.74 124.68 3b8h s LYS 410 Ca 0.83 1.46 0.03 0.00 -1.00 0.00 0.00 55.97 57.28 3b8h s LYS 410 Cb -0.68 -3.38 -0.03 0.00 -2.06 0.00 0.00 37.83 31.68 3b8h s LYS 410 CO 0.42 0.18 -0.09 0.08 0.10 0.00 0.00 175.35 176.03 3b8h s VAL 411 N 0.11 0.67 -0.78 1.79 1.01 0.50 -4.94 120.40 118.76 3b8h s VAL 411 Ca 0.48 -1.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 3b8h s VAL 411 Cb -0.23 -0.81 0.09 0.00 0.00 0.00 0.00 36.38 35.43 3b8h s VAL 411 CO 0.30 -0.41 1.05 -0.13 0.00 0.00 0.00 175.10 175.91 3b8h s ARG 412 N -1.86 3.33 -0.87 2.72 0.52 -1.09 -2.24 118.95 119.47 3b8h s ARG 412 Ca -0.06 -1.23 -0.25 0.00 -0.52 0.00 0.00 55.73 53.68 3b8h s ARG 412 Cb -0.08 -4.56 -0.03 0.00 0.52 0.00 0.00 34.95 30.80 3b8h s ARG 412 CO 0.00 -1.81 1.84 0.42 0.02 0.00 0.00 175.30 175.77 3b8h s ILE 413 N 3.54 3.51 -0.36 1.52 1.01 -0.89 -2.96 121.20 126.58 3b8h s ILE 413 Ca 0.27 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.41 3b8h s ILE 413 Cb -0.11 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.18 3b8h s ILE 413 CO 0.01 -1.12 0.63 -1.10 0.00 0.00 0.00 174.94 173.37 3b8h s GLN 414 N 6.67 3.67 0.00 2.79 -0.21 -0.18 -2.49 119.66 129.91 3b8h s GLN 414 Ca 0.65 0.04 0.00 0.00 0.02 0.00 0.00 55.36 56.07 3b8h s GLN 414 Cb -0.07 -3.81 0.00 0.00 1.00 0.00 0.00 33.01 30.13 3b8h s GLN 414 CO 0.02 -0.74 0.00 0.41 -2.12 0.00 0.00 175.29 172.86 3b8h n GLY 415 N 4.68 -0.81 0.10 3.09 0.00 -0.99 -0.96 105.19 110.31 3b8h n GLY 415 Ca -0.01 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.08 0.00 1.61 0.11 -1.88 -3.08 132.00 128.67 3b8h h PRO 416 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3b8h h PRO 416 Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3b8h h PRO 416 CO 0.00 -0.06 0.00 0.09 -0.21 0.00 0.00 178.00 177.82 3b8h n ASN 417 N -5.18 0.28 -4.73 -2.05 3.02 -1.26 -4.91 115.26 100.44 3b8h n ASN 417 Ca -0.05 0.54 -0.38 0.00 -0.03 0.00 0.00 54.58 54.65 3b8h n ASN 417 Cb 0.11 -0.61 0.05 0.00 -0.61 0.00 0.00 39.78 38.72 3b8h n ASN 417 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b8h n TYR 418 N -1.77 2.09 -3.77 3.10 9.36 -1.17 -4.89 117.16 120.11 3b8h n TYR 418 Ca 0.06 0.43 -0.14 0.00 3.32 0.00 0.00 57.90 61.57 3b8h n TYR 418 Cb 0.33 -2.32 -0.15 0.00 -0.63 0.00 0.00 39.34 36.57 3b8h n TYR 418 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3b8h s VAL 419 N -1.33 -0.05 0.66 2.97 1.01 -1.26 -4.84 120.40 117.55 3b8h s VAL 419 Ca 0.75 0.17 0.18 0.00 0.00 0.00 0.00 61.98 63.09 3b8h s VAL 419 Cb -0.41 -0.16 0.20 0.00 0.00 0.00 0.00 36.38 36.01 3b8h s VAL 419 CO 0.46 0.07 1.54 -0.65 0.00 0.00 0.00 175.10 176.52 3b8h h PRO 420 N 7.11 0.00 0.04 2.72 0.11 -1.90 -1.67 132.00 138.42 3b8h h PRO 420 Ca -0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3b8h h PRO 420 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3b8h h PRO 420 CO 0.45 0.00 -0.02 0.78 -0.21 0.00 0.00 178.00 179.00 3b8h h GLY 421 N 0.00 -0.06 -0.28 -0.55 0.00 -1.96 -3.47 103.07 96.75 3b8h h GLY 421 Ca 0.04 0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 3b8h h GLY 421 CO -0.00 -0.02 0.07 0.28 0.00 0.00 0.00 176.54 176.87 3b8h n LYS 422 N -4.81 -1.29 -0.08 4.80 4.76 -0.63 -5.01 118.16 115.91 3b8h n LYS 422 Ca -0.01 -0.58 0.04 0.00 -2.87 0.00 0.00 58.31 54.89 3b8h n LYS 422 Cb 0.04 -0.49 0.06 0.00 -1.84 0.00 0.00 35.03 32.80 3b8h n LYS 422 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3b8h n LYS 423 N -2.35 1.70 -2.89 1.97 5.02 -1.26 -4.75 118.16 115.61 3b8h n LYS 423 Ca 0.05 -1.79 -0.35 0.00 -2.02 0.00 0.00 58.31 54.20 3b8h n LYS 423 Cb 0.18 -1.10 -0.07 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.67 7.06 -1.22 4.39 1.01 -1.26 -4.14 116.67 120.83 3b8h s ASP 424 Ca 0.13 1.65 -0.01 0.00 0.71 0.00 0.00 52.55 55.03 3b8h s ASP 424 Cb 0.11 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.53 3b8h s ASP 424 CO 0.01 -0.20 0.97 -0.67 0.21 0.00 0.00 175.17 175.50 3b8h n ASP 425 N -0.05 -2.20 -3.93 0.27 -0.08 -1.26 -4.12 116.55 105.18 3b8h n ASP 425 Ca 0.04 -0.64 -0.14 0.00 -1.51 0.00 0.00 54.79 52.53 3b8h n ASP 425 Cb 0.52 -4.98 -0.14 0.00 2.34 0.00 0.00 41.12 38.86 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 -6.46 2.02 -0.33 -2.67 2.96 -1.26 -2.34 118.68 110.61 3b8h s LEU 426 Ca 0.04 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3b8h s LEU 426 Cb -0.02 -0.16 0.14 0.00 0.50 0.00 0.00 46.19 46.65 3b8h s LEU 426 CO 0.74 0.02 0.26 -0.36 -1.32 0.00 0.00 176.35 175.70 3b8h s PHE 427 N -0.17 0.08 -1.04 5.38 0.40 -1.04 -4.99 117.98 116.60 3b8h s PHE 427 Ca 0.00 -0.93 -0.23 0.00 -0.60 0.00 0.00 56.93 55.18 3b8h s PHE 427 Cb -0.02 -0.66 -0.00 0.00 0.51 0.00 0.00 43.02 42.85 3b8h s PHE 427 CO -0.00 -0.89 1.73 0.42 0.70 0.00 0.00 175.22 177.18 3b8h s ILE 428 N 1.65 3.73 0.41 0.64 1.01 -1.26 -2.09 121.20 125.29 3b8h s ILE 428 Ca 0.14 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.06 3b8h s ILE 428 Cb -0.17 -4.64 -0.08 0.00 0.01 0.00 0.00 42.46 37.58 3b8h s ILE 428 CO -0.15 -1.47 0.01 -0.54 0.00 0.00 0.00 174.94 172.79 3b8h s LYS 429 N 5.79 1.95 -0.19 2.79 -0.14 -0.95 -4.91 119.74 124.08 3b8h s LYS 429 Ca 0.59 -2.10 -0.10 0.00 -1.36 0.00 0.00 55.97 53.00 3b8h s LYS 429 Cb -0.02 -1.63 -0.05 0.00 -1.68 0.00 0.00 37.83 34.46 3b8h s LYS 429 CO -0.01 -0.05 0.14 0.00 -0.76 0.00 0.00 175.35 174.67 3b8h s ALA 430 N -2.72 3.71 -0.33 5.17 0.00 -1.26 -0.37 121.76 125.96 3b8h s ALA 430 Ca 0.35 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 3b8h s ALA 430 Cb 0.10 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 3b8h s ALA 430 CO 0.18 0.22 1.68 0.42 0.00 0.00 0.00 175.76 178.26 3b8h s ILE 431 N 0.16 3.61 0.04 0.00 1.01 -0.30 -4.92 121.20 120.80 3b8h s ILE 431 Ca 0.09 0.63 -0.19 0.00 0.00 0.00 0.00 60.65 61.19 3b8h s ILE 431 Cb -0.11 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 3b8h s ILE 431 CO -0.01 -0.48 1.28 1.56 0.00 0.00 0.00 174.94 177.30 3b8h h GLN 432 N 12.02 -0.56 -3.39 2.79 4.20 -1.83 0.85 115.11 129.19 3b8h h GLN 432 Ca -0.32 0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.19 3b8h h GLN 432 Cb 1.15 0.13 -0.30 0.00 0.30 0.00 0.00 27.48 28.75 3b8h h GLN 432 CO 1.04 -0.37 -0.62 1.03 -0.67 0.00 0.00 178.83 179.24 3b8h s ARG 433 N -4.46 0.08 -0.17 1.46 0.52 -1.20 -3.46 118.95 111.72 3b8h s ARG 433 Ca -0.09 0.25 -0.15 0.00 -0.52 0.00 0.00 55.73 55.21 3b8h s ARG 433 Cb 0.02 -0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.34 3b8h s ARG 433 CO 0.30 -0.11 0.37 0.08 0.02 0.00 0.00 175.30 175.97 3b8h s VAL 434 N 0.73 5.24 0.01 3.52 1.01 -1.26 -1.40 120.40 128.25 3b8h s VAL 434 Ca -0.06 0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.65 3b8h s VAL 434 Cb -0.08 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3b8h s VAL 434 CO -0.03 0.32 -0.12 0.68 0.00 0.00 0.00 175.10 175.95 3b8h s VAL 435 N 0.84 0.92 0.25 2.92 -7.23 -0.61 -0.15 120.40 117.33 3b8h s VAL 435 Ca 0.19 -0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 59.35 3b8h s VAL 435 Cb -0.14 -0.81 -0.09 0.00 0.56 0.00 0.00 36.38 35.90 3b8h s VAL 435 CO 0.07 0.09 1.04 -0.76 -0.31 0.00 0.00 175.10 175.23 3b8h s LEU 436 N -0.71 4.58 -1.27 1.32 1.43 -0.68 -0.16 118.68 123.18 3b8h s LEU 436 Ca 0.02 2.11 -0.15 0.00 -1.03 0.00 0.00 54.13 55.08 3b8h s LEU 436 Cb -0.06 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.66 3b8h s LEU 436 CO 0.00 -0.04 1.66 0.23 0.23 0.00 0.00 176.35 178.43 3b8h n MET 437 N 1.52 3.28 -1.04 1.70 2.81 -1.26 -2.77 117.12 121.36 3b8h n MET 437 Ca -0.01 -3.49 -0.19 0.00 -1.81 0.00 0.00 57.70 52.20 3b8h n MET 437 Cb 0.46 -3.24 -0.12 0.00 -0.71 0.00 0.00 33.22 29.61 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 6.68 2.39 0.00 0.03 0.00 -0.24 -4.55 117.12 121.42 3b8h n MET 438 Ca 0.43 -1.31 0.00 0.00 0.00 0.00 0.00 57.70 56.83 3b8h n MET 438 Cb 0.43 -2.22 0.00 0.00 0.00 0.00 0.00 33.22 31.44 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 2.86 1.14 0.01 3.03 0.00 -0.48 -2.07 105.19 109.68 3b8h n GLY 439 Ca 0.51 0.35 0.10 0.00 0.00 0.00 0.00 46.02 46.97 3b8h n GLY 439 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3b8h n ARG 440 N 0.00 0.62 -4.37 1.61 0.63 -1.26 -3.36 116.66 110.54 3b8h n ARG 440 Ca 0.00 -0.10 -0.24 0.00 -0.92 0.00 0.00 57.85 56.59 3b8h n ARG 440 Cb 0.00 -1.44 -0.09 0.00 0.45 0.00 0.00 32.46 31.38 3b8h n ARG 440 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3b8h s PHE 441 N -3.14 2.52 -0.01 -0.14 0.08 -0.88 -0.10 117.98 116.31 3b8h s PHE 441 Ca -0.01 -0.27 0.06 0.00 0.12 0.00 0.00 56.93 56.83 3b8h s PHE 441 Cb 0.13 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.44 3b8h s PHE 441 CO 0.81 0.65 -0.19 0.14 -0.10 0.00 0.00 175.22 176.53 3b8h s VAL 442 N -2.36 2.65 -0.27 -0.44 -7.23 -1.26 -1.08 120.40 110.41 3b8h s VAL 442 Ca 0.30 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 3b8h s VAL 442 Cb -0.06 -2.03 0.08 0.00 0.56 0.00 0.00 36.38 34.93 3b8h s VAL 442 CO 0.18 0.51 -0.00 -0.70 -0.31 0.00 0.00 175.10 174.78 3b8h s GLU 443 N -0.90 1.43 0.25 4.82 2.56 -1.12 -4.90 118.70 120.85 3b8h s GLU 443 Ca 0.12 -1.22 -0.30 0.00 0.00 0.00 0.00 54.97 53.57 3b8h s GLU 443 Cb -0.10 -2.63 -0.14 0.00 2.00 0.00 0.00 34.13 33.25 3b8h s GLU 443 CO 0.01 -0.75 1.09 -2.30 -0.56 0.00 0.00 175.26 172.76 3b8h n PRO 444 N 4.60 1.37 -3.73 4.30 -0.02 -1.26 -1.68 135.00 138.57 3b8h n PRO 444 Ca -0.06 0.48 -0.14 0.00 -2.02 0.00 0.00 63.50 61.76 3b8h n PRO 444 Cb 0.43 -1.92 -0.14 0.00 -0.02 0.00 0.00 33.50 31.85 3b8h n PRO 444 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3b8h s ILE 445 N -0.70 -0.09 -1.00 4.25 1.10 0.78 -4.86 121.20 120.68 3b8h s ILE 445 Ca 0.64 0.20 0.15 0.00 -0.51 0.00 0.00 60.65 61.13 3b8h s ILE 445 Cb -0.74 -0.27 0.12 0.00 0.15 0.00 0.00 42.46 41.72 3b8h s ILE 445 CO 0.57 0.08 1.47 0.47 -2.11 0.00 0.00 174.94 175.42 3b8h n ASP 446 N 4.41 0.00 -3.63 4.50 8.00 -1.26 -4.12 116.55 124.45 3b8h n ASP 446 Ca -0.23 0.50 -0.05 0.00 0.71 0.00 0.00 54.79 55.73 3b8h n ASP 446 Cb 0.51 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 3b8h n ASP 446 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3b8h s ASP 447 N -3.00 -0.22 -0.29 -2.24 -4.77 -1.26 -1.99 116.67 102.90 3b8h s ASP 447 Ca 0.07 -0.19 -0.03 0.00 -3.30 0.00 0.00 52.55 49.10 3b8h s ASP 447 Cb 0.10 0.38 0.17 0.00 -1.09 0.00 0.00 42.92 42.47 3b8h s ASP 447 CO 0.27 -0.67 0.58 0.00 0.70 0.00 0.00 175.17 176.05 3b8h s PRO 449 N 2.82 0.39 0.59 0.00 0.04 -1.26 -2.27 135.00 135.32 3b8h s PRO 449 Ca 0.14 1.09 -0.18 0.00 0.04 0.00 0.00 61.00 62.09 3b8h s PRO 449 Cb -0.14 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 3b8h s PRO 449 CO -0.20 -2.91 1.18 0.00 0.04 0.00 0.00 177.00 175.12 3b8h s ALA 450 N -2.66 2.55 0.00 8.56 0.00 -0.98 -3.86 121.76 125.37 3b8h s ALA 450 Ca 0.66 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3b8h s ALA 450 Cb -0.22 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3b8h s ALA 450 CO 0.60 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3b8h n GLY 451 N 0.36 0.85 3.38 0.00 0.00 0.26 -4.93 105.19 105.10 3b8h n GLY 451 Ca 0.13 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.13 2.71 -0.21 1.61 0.01 -1.25 -4.69 114.94 111.00 3b8h s ASN 452 Ca 0.00 -1.07 -0.12 0.00 -0.71 0.00 0.00 52.86 50.97 3b8h s ASN 452 Cb 0.00 -0.16 -0.05 0.00 0.41 0.00 0.00 41.25 41.45 3b8h s ASN 452 CO 0.00 -0.20 0.20 -0.63 -1.51 0.00 0.00 177.10 174.96 3b8h s ILE 453 N -2.94 5.35 0.15 0.60 1.09 -1.26 -1.67 121.20 122.51 3b8h s ILE 453 Ca 0.25 0.31 -0.08 0.00 -1.10 0.00 0.00 60.65 60.04 3b8h s ILE 453 Cb 0.00 -3.54 -0.01 0.00 -1.06 0.00 0.00 42.46 37.85 3b8h s ILE 453 CO 0.09 0.37 0.23 -0.51 -0.10 0.00 0.00 174.94 175.02 3b8h s ILE 454 N 0.79 0.08 0.24 2.92 1.10 -0.75 -4.72 121.20 120.86 3b8h s ILE 454 Ca 0.11 -1.45 0.10 0.00 -0.51 0.00 0.00 60.65 58.89 3b8h s ILE 454 Cb -0.13 -1.81 -0.04 0.00 0.15 0.00 0.00 42.46 40.63 3b8h s ILE 454 CO 0.03 -0.38 -0.08 -0.83 -2.11 0.00 0.00 174.94 171.57 3b8h s GLY 455 N -2.97 1.72 0.02 1.50 0.00 0.77 -2.17 107.32 106.19 3b8h s GLY 455 Ca 0.17 -1.63 0.06 0.00 0.00 0.00 0.00 44.72 43.31 3b8h s GLY 455 CO -0.01 -1.68 -0.17 1.08 0.00 0.00 0.00 173.10 172.32 3b8h s LEU 456 N -3.30 2.12 -0.21 0.66 1.43 0.67 -1.58 118.68 118.47 3b8h s LEU 456 Ca 0.28 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3b8h s LEU 456 Cb -0.07 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.38 3b8h s LEU 456 CO 0.17 0.13 -0.15 -0.69 0.23 0.00 0.00 176.35 176.04 3b8h s VAL 457 N -0.66 2.33 0.00 -1.59 1.01 -0.50 -0.85 120.40 120.14 3b8h s VAL 457 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3b8h s VAL 457 Cb -0.07 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3b8h s VAL 457 CO 0.01 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3b8h n GLY 458 N 4.61 1.80 0.00 4.51 0.00 -1.26 -2.77 105.19 112.08 3b8h n GLY 458 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.35 0.00 0.14 -0.61 -0.00 -1.26 -4.77 119.36 112.50 3b8h n ILE 459 Ca 0.00 -0.35 0.09 0.00 -0.00 0.00 0.00 62.75 62.49 3b8h n ILE 459 Cb 0.00 1.22 0.47 0.00 -0.00 0.00 0.00 39.64 41.33 3b8h n ILE 459 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 3b8h n ASP 460 N -0.20 0.45 -0.72 4.38 5.75 -1.25 -0.58 116.55 124.38 3b8h n ASP 460 Ca 0.00 0.70 0.08 0.00 -0.01 0.00 0.00 54.79 55.55 3b8h n ASP 460 Cb 0.05 -0.74 0.11 0.00 -1.03 0.00 0.00 41.12 39.52 3b8h n ASP 460 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3b8h n GLN 461 N -2.11 1.72 0.00 0.11 0.00 -1.26 -4.51 117.38 111.33 3b8h n GLN 461 Ca -0.01 -1.71 0.00 0.00 0.00 0.00 0.00 57.00 55.28 3b8h n GLN 461 Cb 0.06 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 28.97 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 0.91 0.00 -4.18 2.61 3.72 0.25 -4.99 117.46 115.78 3b8h n PHE 462 Ca 0.12 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.18 3b8h n PHE 462 Cb 0.43 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.82 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 -3.83 2.54 0.04 4.37 1.43 -0.13 -4.93 118.68 118.16 3b8h s LEU 463 Ca 0.00 -0.49 -0.32 0.00 -1.03 0.00 0.00 54.13 52.29 3b8h s LEU 463 Cb 0.00 -1.61 -0.18 0.00 0.03 0.00 0.00 46.19 44.44 3b8h s LEU 463 CO 0.00 0.02 1.34 0.25 0.23 0.00 0.00 176.35 178.19 3b8h h LEU 464 N 7.78 -0.98 0.00 1.79 5.85 -1.87 -3.43 115.31 124.45 3b8h h LEU 464 Ca -0.40 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3b8h h LEU 464 Cb 1.16 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.45 3b8h h LEU 464 CO 0.60 -0.63 0.00 0.29 -0.34 0.00 0.00 178.44 178.36 3b8h n LYS 465 N -5.50 0.00 -4.37 1.25 5.02 -1.26 -4.79 118.16 108.51 3b8h n LYS 465 Ca -0.14 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.89 3b8h n LYS 465 Cb 0.46 -0.22 -0.13 0.00 -0.02 0.00 0.00 35.03 35.11 3b8h n LYS 465 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3b8h s THR 466 N -1.43 1.86 -0.02 -0.18 2.01 -1.26 -3.61 115.64 112.99 3b8h s THR 466 Ca 0.00 -1.55 -0.30 0.00 0.31 0.00 0.00 61.69 60.15 3b8h s THR 466 Cb 0.00 -1.66 0.11 0.00 0.01 0.00 0.00 72.50 70.96 3b8h s THR 466 CO 0.00 0.02 1.30 -0.83 -0.69 0.00 0.00 174.62 174.42 3b8h s GLY 467 N -1.84 -0.30 -0.10 4.40 0.00 -1.18 -4.57 107.32 103.74 3b8h s GLY 467 Ca 0.09 0.45 0.02 0.00 0.00 0.00 0.00 44.72 45.27 3b8h s GLY 467 CO 0.04 2.32 -0.15 -1.59 0.00 0.00 0.00 173.10 173.73 3b8h s THR 468 N -2.22 1.41 -0.16 0.90 2.01 -0.13 -1.65 115.64 115.79 3b8h s THR 468 Ca 0.20 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.54 3b8h s THR 468 Cb 0.03 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 3b8h s THR 468 CO -0.03 0.42 0.02 -0.76 -0.69 0.00 0.00 174.62 173.59 3b8h s LEU 469 N 0.90 3.62 0.00 4.42 1.02 -0.37 -1.01 118.68 127.26 3b8h s LEU 469 Ca -0.09 0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.09 3b8h s LEU 469 Cb -0.15 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 44.17 3b8h s LEU 469 CO 0.00 0.20 0.00 0.35 0.02 0.00 0.00 176.35 176.92 3b8h n THR 470 N 3.37 0.00 0.00 5.49 -2.24 -1.15 -1.45 114.28 118.30 3b8h n THR 470 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3b8h n THR 470 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3b8h n THR 470 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3b8h n THR 471 N 0.00 0.00 -2.34 4.28 -1.04 -1.20 -2.65 114.28 111.33 3b8h n THR 471 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 3b8h n THR 471 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 -0.47 6.87 0.21 8.00 0.15 -1.26 -4.89 113.70 122.31 3b8h s SER 472 Ca 0.00 1.78 0.19 0.00 0.70 0.00 0.00 55.95 58.63 3b8h s SER 472 Cb 0.00 -2.54 0.89 0.00 -1.71 0.00 0.00 66.02 62.66 3b8h s SER 472 CO 0.00 -0.81 1.60 1.21 1.20 0.00 0.00 173.24 176.43 3b8h n GLU 473 N 6.75 0.13 -0.96 5.44 2.13 -1.26 -1.55 120.64 131.32 3b8h n GLU 473 Ca 0.15 0.47 -0.07 0.00 0.66 0.00 0.00 57.16 58.36 3b8h n GLU 473 Cb 0.44 -1.81 0.17 0.00 0.27 0.00 0.00 31.44 30.52 3b8h n GLU 473 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3b8h n THR 474 N -2.07 2.57 -3.36 6.31 -2.24 -1.26 -4.88 114.28 109.35 3b8h n THR 474 Ca 0.01 -3.02 -0.38 0.00 -2.27 0.00 0.00 64.05 58.40 3b8h n THR 474 Cb 0.14 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 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 -3.33 3.53 0.96 6.98 0.00 -0.60 -4.99 121.76 124.33 3b8h s ALA 475 Ca 0.46 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.06 3b8h s ALA 475 Cb 0.41 -2.58 0.20 0.00 0.00 0.00 0.00 23.12 21.15 3b8h s ALA 475 CO -0.01 0.13 1.31 -1.01 0.00 0.00 0.00 175.76 176.18 3b8h s HIS 476 N 0.17 1.62 -0.19 0.00 3.76 -1.26 -4.62 115.29 114.76 3b8h s HIS 476 Ca 0.25 0.34 -0.16 0.00 -0.15 0.00 0.00 55.06 55.34 3b8h s HIS 476 Cb -0.16 -4.09 -0.04 0.00 1.11 0.00 0.00 32.58 29.41 3b8h s HIS 476 CO 0.11 -2.65 0.39 -0.80 -0.85 0.00 0.00 174.74 170.94 3b8h s ASN 477 N -4.86 6.46 -0.09 1.40 0.01 -1.26 -4.95 114.94 111.65 3b8h s ASN 477 Ca 0.74 0.54 -0.30 0.00 -0.71 0.00 0.00 52.86 53.13 3b8h s ASN 477 Cb -0.04 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.35 3b8h s ASN 477 CO 0.53 -0.05 1.35 -0.04 -1.51 0.00 0.00 177.10 177.38 3b8h s MET 478 N 1.17 4.26 0.00 -0.60 -1.94 -1.26 -3.53 119.30 117.39 3b8h s MET 478 Ca 0.19 1.83 0.00 0.00 -1.71 0.00 0.00 55.69 56.00 3b8h s MET 478 Cb -0.15 -3.72 0.00 0.00 2.01 0.00 0.00 34.83 32.97 3b8h s MET 478 CO 0.08 -0.66 0.00 1.63 -0.01 0.00 0.00 175.02 176.06 3b8h n LYS 479 N 6.17 0.00 -2.20 2.03 4.76 -1.20 -4.76 118.16 122.96 3b8h n LYS 479 Ca 0.14 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.19 3b8h n LYS 479 Cb 0.44 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.62 3b8h n LYS 479 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3b8h s VAL 480 N 0.00 2.94 -0.39 -0.18 -7.23 -1.26 -5.00 120.40 109.27 3b8h s VAL 480 Ca 0.00 0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 60.82 3b8h s VAL 480 Cb 0.00 -3.43 0.03 0.00 0.56 0.00 0.00 36.38 33.53 3b8h s VAL 480 CO 0.00 0.06 0.26 -0.04 -0.31 0.00 0.00 175.10 175.07 3b8h s MET 481 N -2.40 2.89 -0.10 4.82 1.00 -1.26 -5.03 119.30 119.22 3b8h s MET 481 Ca 0.59 -1.07 -0.31 0.00 0.00 0.00 0.00 55.69 54.90 3b8h s MET 481 Cb -0.33 -3.86 -0.09 0.00 0.00 0.00 0.00 34.83 30.55 3b8h s MET 481 CO 0.41 -0.74 2.04 1.63 0.00 0.00 0.00 175.02 178.36 3b8h n LYS 482 N 5.08 2.30 -3.87 2.03 5.02 -1.26 -4.85 118.16 122.61 3b8h n LYS 482 Ca -0.11 0.78 -0.26 0.00 -2.02 0.00 0.00 58.31 56.70 3b8h n LYS 482 Cb 0.46 -2.94 -0.17 0.00 -0.02 0.00 0.00 35.03 32.36 3b8h n LYS 482 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3b8h s PHE 483 N 5.69 1.27 -0.11 2.13 0.08 -1.26 -4.93 117.98 120.85 3b8h s PHE 483 Ca 0.95 -0.59 -0.04 0.00 0.12 0.00 0.00 56.93 57.37 3b8h s PHE 483 Cb -0.51 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 3b8h s PHE 483 CO 0.43 -0.47 0.04 0.45 -0.10 0.00 0.00 175.22 175.58 3b8h s SER 484 N 1.78 5.55 -0.20 1.36 0.15 -1.26 -4.99 113.70 116.08 3b8h s SER 484 Ca 0.05 0.20 0.14 0.00 0.70 0.00 0.00 55.95 57.03 3b8h s SER 484 Cb -0.12 -1.70 0.74 0.00 -1.71 0.00 0.00 66.02 63.23 3b8h s SER 484 CO -0.07 0.34 1.64 0.55 1.20 0.00 0.00 173.24 176.90 3b8h n VAL 485 N 2.39 2.40 -2.52 4.45 3.14 -1.26 -4.85 118.33 122.07 3b8h n VAL 485 Ca -0.19 -1.25 -0.43 0.00 -2.96 0.00 0.00 64.34 59.51 3b8h n VAL 485 Cb 0.54 -0.23 -0.02 0.00 -1.06 0.00 0.00 33.84 33.07 3b8h n VAL 485 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3b8h s SER 486 N -0.74 6.71 -1.07 6.55 0.15 -1.26 -4.93 113.70 119.11 3b8h s SER 486 Ca 0.50 0.95 -0.23 0.00 0.70 0.00 0.00 55.95 57.86 3b8h s SER 486 Cb 0.37 -2.54 -0.13 0.00 -1.71 0.00 0.00 66.02 62.01 3b8h s SER 486 CO 0.16 -1.09 1.95 -2.65 1.20 0.00 0.00 173.24 172.80 3b8h n PRO 487 N 7.38 1.32 0.15 5.44 -0.02 -1.26 -4.39 135.00 143.61 3b8h n PRO 487 Ca 0.13 -2.22 0.08 0.00 -2.02 0.00 0.00 63.50 59.47 3b8h n PRO 487 Cb 0.47 -3.61 0.06 0.00 -0.02 0.00 0.00 33.50 30.41 3b8h n PRO 487 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3b8h h VAL 488 N 5.95 0.25 -3.76 -1.45 2.07 -1.63 -3.44 116.25 114.24 3b8h h VAL 488 Ca 0.22 -1.39 -0.47 0.00 0.82 0.00 0.00 66.70 65.87 3b8h h VAL 488 Cb 0.90 1.96 -0.31 0.00 -1.52 0.00 0.00 31.29 32.31 3b8h h VAL 488 CO 1.33 0.14 -0.80 -0.69 0.02 0.00 0.00 177.57 177.57 3b8h s VAL 489 N -3.16 0.99 0.19 2.57 1.01 -1.08 -1.17 120.40 119.75 3b8h s VAL 489 Ca 0.03 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3b8h s VAL 489 Cb 0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3b8h s VAL 489 CO 0.74 0.30 0.28 0.00 0.00 0.00 0.00 175.10 176.42 3b8h s GLN 490 N 0.26 1.26 0.09 2.72 -2.07 -0.69 0.94 119.66 122.17 3b8h s GLN 490 Ca -0.05 -1.34 -0.11 0.00 -1.82 0.00 0.00 55.36 52.04 3b8h s GLN 490 Cb -0.11 0.36 0.01 0.00 -1.09 0.00 0.00 33.01 32.19 3b8h s GLN 490 CO 0.01 -0.46 0.25 0.14 -1.32 0.00 0.00 175.29 173.91 3b8h s VAL 491 N -4.04 0.12 -0.16 3.63 -7.23 0.17 -2.11 120.40 110.78 3b8h s VAL 491 Ca 0.25 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.33 3b8h s VAL 491 Cb 0.03 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 3b8h s VAL 491 CO 0.06 -0.54 0.20 0.00 -0.31 0.00 0.00 175.10 174.51 3b8h s ALA 492 N -3.73 3.70 -0.19 1.32 0.00 -1.26 -0.60 121.76 121.00 3b8h s ALA 492 Ca 0.03 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 3b8h s ALA 492 Cb 0.04 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 3b8h s ALA 492 CO -0.11 0.27 -0.01 0.08 0.00 0.00 0.00 175.76 175.99 3b8h s VAL 493 N -0.03 3.95 -0.02 0.00 1.01 0.01 -3.84 120.40 121.49 3b8h s VAL 493 Ca 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 3b8h s VAL 493 Cb -0.12 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.50 3b8h s VAL 493 CO 0.02 0.45 0.04 -0.70 0.00 0.00 0.00 175.10 174.91 3b8h s GLU 494 N 0.83 0.01 0.09 2.72 -6.30 -1.10 -4.28 118.70 110.66 3b8h s GLU 494 Ca 0.00 0.12 -0.30 0.00 -2.50 0.00 0.00 54.97 52.29 3b8h s GLU 494 Cb -0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 34.13 33.83 3b8h s GLU 494 CO 0.02 -0.08 1.19 0.14 0.02 0.00 0.00 175.26 176.55 3b8h s VAL 495 N 0.49 3.97 0.20 3.70 -7.23 -1.26 0.00 120.40 120.27 3b8h s VAL 495 Ca -0.04 1.47 0.20 0.00 -1.81 0.00 0.00 61.98 61.80 3b8h s VAL 495 Cb -0.06 -3.94 0.16 0.00 0.56 0.00 0.00 36.38 33.11 3b8h s VAL 495 CO -0.02 0.14 1.79 0.50 -0.31 0.00 0.00 175.10 177.21 3b8h h LYS 496 N 6.42 0.00 -4.89 4.82 3.64 -1.33 -3.41 116.57 121.83 3b8h h LYS 496 Ca -0.42 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.29 3b8h h LYS 496 Cb 1.21 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.79 3b8h h LYS 496 CO 0.79 0.32 -0.63 -0.80 -2.27 0.00 0.00 179.45 176.86 3b8h s ASN 497 N -6.40 5.03 0.36 4.20 0.01 -1.26 -5.00 114.94 111.89 3b8h s ASN 497 Ca -0.00 -0.46 0.08 0.00 -0.71 0.00 0.00 52.86 51.76 3b8h s ASN 497 Cb 0.11 -1.88 0.70 0.00 0.41 0.00 0.00 41.25 40.59 3b8h s ASN 497 CO 0.67 -0.11 1.88 0.00 -1.51 0.00 0.00 177.10 178.03 3b8h h ALA 498 N 8.22 1.42 0.00 0.60 0.00 -1.98 -2.76 119.26 124.76 3b8h h ALA 498 Ca -0.36 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 3b8h h ALA 498 Cb 1.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3b8h h ALA 498 CO 0.59 0.40 -0.46 -2.95 0.00 0.00 0.00 179.25 176.83 3b8h h ASN 499 N 0.30 0.00 -0.17 0.00 -1.07 -1.96 -2.85 115.58 109.82 3b8h h ASN 499 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.43 3b8h h ASN 499 Cb 0.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 3b8h h ASN 499 CO 0.02 0.46 0.00 0.47 0.07 0.00 0.00 177.43 178.46 3b8h n ASP 500 N -3.92 1.86 0.02 6.14 8.00 -1.04 -4.40 116.55 123.21 3b8h n ASP 500 Ca -0.01 -2.16 -0.10 0.00 0.71 0.00 0.00 54.79 53.22 3b8h n ASP 500 Cb 0.49 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 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 1.12 -0.64 -1.83 0.64 6.46 -1.60 -2.11 115.31 117.35 3b8h h LEU 501 Ca 0.00 0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.95 3b8h h LEU 501 Cb 0.68 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 3b8h h LEU 501 CO 0.09 -0.26 0.31 -0.65 -0.62 0.00 0.00 178.44 177.30 3b8h h PRO 502 N -0.29 0.20 -0.23 5.25 0.11 -1.87 -1.29 132.00 133.88 3b8h h PRO 502 Ca 0.09 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 3b8h h PRO 502 Cb 0.41 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3b8h h PRO 502 CO -0.26 0.13 -0.11 0.87 -0.21 0.00 0.00 178.00 178.42 3b8h h LYS 503 N 0.20 0.38 -0.08 1.05 1.57 -1.71 -2.55 116.57 115.43 3b8h h LYS 503 Ca 0.21 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3b8h h LYS 503 Cb 0.56 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3b8h h LYS 503 CO -0.04 0.49 -0.10 1.25 -0.57 0.00 0.00 179.45 180.48 3b8h h LEU 504 N 0.36 0.23 -2.03 2.94 5.85 -1.15 -1.04 115.31 120.47 3b8h h LEU 504 Ca 0.07 -0.52 0.13 0.00 0.84 0.00 0.00 57.88 58.40 3b8h h LEU 504 Cb 0.41 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3b8h h LEU 504 CO 0.02 0.70 0.34 0.58 -0.34 0.00 0.00 178.44 179.74 3b8h h VAL 505 N -0.24 0.68 0.24 1.05 2.07 -1.37 -0.36 116.25 118.32 3b8h h VAL 505 Ca 0.01 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.19 3b8h h VAL 505 Cb 0.65 0.76 0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3b8h h VAL 505 CO 0.02 0.00 -1.53 -0.08 0.02 0.00 0.00 177.57 176.01 3b8h h GLU 506 N 0.00 0.51 -0.98 1.57 4.57 -1.29 -3.21 114.58 115.75 3b8h h GLU 506 Ca 0.21 -0.88 0.01 0.00 -1.18 0.00 0.00 59.36 57.52 3b8h h GLU 506 Cb 0.89 0.33 -0.05 0.00 -0.16 0.00 0.00 28.75 29.75 3b8h h GLU 506 CO -0.00 1.42 0.65 0.78 -1.18 0.00 0.00 179.01 180.67 3b8h h GLY 507 N 0.30 1.38 0.72 1.92 0.00 0.26 -0.90 103.07 106.75 3b8h h GLY 507 Ca -0.27 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 3b8h h GLY 507 CO 0.26 0.51 0.00 1.41 0.00 0.00 0.00 176.54 178.72 3b8h h LEU 508 N 1.33 0.07 -2.49 3.11 3.38 -1.39 0.18 115.31 119.51 3b8h h LEU 508 Ca 0.36 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3b8h h LEU 508 Cb -0.15 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3b8h h LEU 508 CO -0.08 0.36 -0.02 0.11 0.09 0.00 0.00 178.44 178.90 3b8h h LYS 509 N -0.22 0.00 0.00 1.13 1.57 -1.52 -0.05 116.57 117.49 3b8h h LYS 509 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3b8h h LYS 509 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3b8h h LYS 509 CO 0.00 0.02 -0.88 -0.09 -0.57 0.00 0.00 179.45 177.93 3b8h h ARG 510 N 0.00 0.00 0.23 3.15 2.43 -0.63 -3.33 114.38 116.22 3b8h h ARG 510 Ca -0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 3b8h h ARG 510 Cb 0.13 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3b8h h ARG 510 CO 0.00 0.04 -1.54 1.25 -1.51 0.00 0.00 179.97 178.21 3b8h h LEU 511 N 0.00 0.75 -2.05 3.80 5.85 0.12 -3.21 115.31 120.57 3b8h h LEU 511 Ca -0.02 -0.88 -0.01 0.00 0.84 0.00 0.00 57.88 57.82 3b8h h LEU 511 Cb 1.07 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 3b8h h LEU 511 CO 0.01 1.70 -0.06 0.28 -0.34 0.00 0.00 178.44 180.03 3b8h h SER 512 N 0.13 0.00 1.41 1.25 0.02 -1.44 -1.56 113.55 113.36 3b8h h SER 512 Ca -0.27 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 3b8h h SER 512 Cb 2.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.67 3b8h h SER 512 CO 0.24 0.06 -0.61 0.11 -1.14 0.00 0.00 176.83 175.49 3b8h h LYS 513 N 0.00 0.00 -0.01 3.45 1.57 -1.67 -3.30 116.57 116.61 3b8h h LYS 513 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3b8h h LYS 513 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3b8h h LYS 513 CO 0.01 0.24 -0.06 -1.13 -0.57 0.00 0.00 179.45 177.94 3b8h n SER 514 N -3.04 1.53 -3.53 0.86 3.41 -0.61 -4.81 113.62 107.44 3b8h n SER 514 Ca 0.00 -1.42 -0.00 0.00 -0.26 0.00 0.00 58.87 57.19 3b8h n SER 514 Cb 0.67 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.61 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 -2.11 -0.81 0.39 4.04 -1.08 -1.11 -4.88 116.67 111.10 3b8h s ASP 515 Ca 0.34 1.14 0.28 0.00 -0.52 0.00 0.00 52.55 53.79 3b8h s ASP 515 Cb 0.21 1.86 1.15 0.00 -1.46 0.00 0.00 42.92 44.68 3b8h s ASP 515 CO 0.37 -0.16 1.84 1.55 0.52 0.00 0.00 175.17 179.29 3b8h h PRO 516 N 7.56 0.00 0.00 4.34 0.13 -1.88 -3.24 132.00 138.91 3b8h h PRO 516 Ca -0.18 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.85 3b8h h PRO 516 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3b8h h PRO 516 CO 0.10 0.00 -1.74 0.00 -0.23 0.00 0.00 178.00 176.13 3b8h s VAL 518 N -3.19 4.45 -0.11 0.00 0.11 -1.22 -4.64 120.40 115.80 3b8h s VAL 518 Ca -0.06 1.50 0.01 0.00 -2.93 0.00 0.00 61.98 60.50 3b8h s VAL 518 Cb 0.11 -3.97 0.02 0.00 -1.53 0.00 0.00 36.38 31.00 3b8h s VAL 518 CO 0.85 0.31 -0.13 -0.22 -3.33 0.00 0.00 175.10 172.59 3b8h s LEU 519 N -1.69 1.58 -0.20 2.54 2.96 -0.96 -4.78 118.68 118.13 3b8h s LEU 519 Ca 0.41 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 3b8h s LEU 519 Cb -0.19 -0.99 0.03 0.00 0.50 0.00 0.00 46.19 45.54 3b8h s LEU 519 CO 0.23 -0.02 -0.16 0.42 -1.32 0.00 0.00 176.35 175.50 3b8h s THR 520 N 1.15 1.96 0.18 3.68 -4.23 -1.26 -1.35 115.64 115.77 3b8h s THR 520 Ca -0.04 -1.08 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 3b8h s THR 520 Cb -0.14 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 3b8h s THR 520 CO -0.03 0.33 0.18 -0.72 -0.54 0.00 0.00 174.62 173.84 3b8h s TYR 521 N 1.29 0.82 -0.05 3.99 -0.85 -1.04 -4.97 117.35 116.54 3b8h s TYR 521 Ca 0.01 -1.14 -0.02 0.00 -0.52 0.00 0.00 57.07 55.41 3b8h s TYR 521 Cb -0.15 -0.35 -0.04 0.00 0.38 0.00 0.00 41.96 41.80 3b8h s TYR 521 CO -0.10 -0.66 0.04 -1.64 -1.52 0.00 0.00 175.55 171.68 3b8h s MET 522 N -4.07 3.03 0.43 -3.49 -1.94 -1.26 -0.99 119.30 111.02 3b8h s MET 522 Ca 0.28 -0.43 -0.01 0.00 -1.71 0.00 0.00 55.69 53.82 3b8h s MET 522 Cb 0.06 -2.84 0.09 0.00 2.01 0.00 0.00 34.83 34.14 3b8h s MET 522 CO 0.06 0.68 0.59 -1.13 -0.01 0.00 0.00 175.02 175.21 3b8h n SER 523 N 1.72 0.72 -0.04 3.03 3.41 -0.63 -4.93 113.62 116.90 3b8h n SER 523 Ca -0.17 -1.62 -0.04 0.00 -0.26 0.00 0.00 58.87 56.79 3b8h n SER 523 Cb 0.53 -0.39 0.19 0.00 -0.26 0.00 0.00 64.21 64.29 3b8h n SER 523 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3b8h h GLU 524 N 0.00 0.63 0.00 4.33 5.08 -2.00 -1.88 114.58 120.74 3b8h h GLU 524 Ca -0.19 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3b8h h GLU 524 Cb 0.70 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3b8h h GLU 524 CO 0.20 0.73 0.00 -1.13 -1.00 0.00 0.00 179.01 177.81 3b8h n SER 525 N -4.19 0.00 -0.10 1.42 3.41 -1.26 -4.80 113.62 108.10 3b8h n SER 525 Ca 0.01 -0.66 -0.01 0.00 -0.26 0.00 0.00 58.87 57.95 3b8h n SER 525 Cb 0.34 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.01 0.45 3.77 5.00 0.00 -0.71 -5.00 105.19 108.72 3b8h n GLY 526 Ca 0.08 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.03 4.67 -0.08 1.61 2.02 -1.26 -4.75 118.70 119.88 3b8h s GLU 527 Ca 0.00 1.39 -0.21 0.00 0.02 0.00 0.00 54.97 56.17 3b8h s GLU 527 Cb 0.00 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 3b8h s GLU 527 CO 0.00 0.35 0.60 -1.01 0.02 0.00 0.00 175.26 175.22 3b8h s HIS 528 N -1.47 3.56 0.13 1.61 3.76 -1.26 -1.60 115.29 120.02 3b8h s HIS 528 Ca 0.47 1.10 0.09 0.00 -0.15 0.00 0.00 55.06 56.57 3b8h s HIS 528 Cb -0.21 -2.69 -0.04 0.00 1.11 0.00 0.00 32.58 30.75 3b8h s HIS 528 CO 0.27 0.14 -0.21 0.42 -0.85 0.00 0.00 174.74 174.51 3b8h s ILE 529 N 0.66 1.85 -0.05 0.60 -1.09 -0.16 -0.81 121.20 122.20 3b8h s ILE 529 Ca 0.32 -1.73 -0.01 0.00 -2.23 0.00 0.00 60.65 57.00 3b8h s ILE 529 Cb -0.17 -1.74 0.03 0.00 -1.58 0.00 0.00 42.46 39.00 3b8h s ILE 529 CO 0.15 -0.14 0.02 -0.69 -1.23 0.00 0.00 174.94 173.05 3b8h s VAL 530 N -1.50 0.17 0.16 2.92 1.01 0.23 -2.49 120.40 120.90 3b8h s VAL 530 Ca 0.11 0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.43 3b8h s VAL 530 Cb -0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3b8h s VAL 530 CO 0.06 0.22 -0.25 0.00 0.00 0.00 0.00 175.10 175.13 3b8h s ALA 531 N 1.92 2.48 0.39 5.51 0.00 -0.45 -0.66 121.76 130.95 3b8h s ALA 531 Ca 0.03 -1.54 0.06 0.00 0.00 0.00 0.00 51.96 50.50 3b8h s ALA 531 Cb -0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3b8h s ALA 531 CO -0.04 0.49 0.21 0.20 0.00 0.00 0.00 175.76 176.62 3b8h s GLY 532 N -2.37 2.60 0.24 0.00 0.00 0.27 -2.27 107.32 105.79 3b8h s GLY 532 Ca 0.18 -1.52 0.13 0.00 0.00 0.00 0.00 44.72 43.50 3b8h s GLY 532 CO 0.08 -1.69 1.41 -0.84 0.00 0.00 0.00 173.10 172.06 3b8h h THR 533 N 1.88 1.07 -2.35 0.90 2.02 -1.82 -2.06 112.91 112.54 3b8h h THR 533 Ca -0.30 -2.50 -0.01 0.00 0.77 0.00 0.00 66.41 64.37 3b8h h THR 533 Cb 1.26 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 3b8h h THR 533 CO 0.46 0.61 0.09 0.61 0.37 0.00 0.00 175.52 177.65 3b8h n GLY 534 N 1.24 1.70 0.21 2.16 0.00 -1.26 -4.60 105.19 104.64 3b8h n GLY 534 Ca 0.01 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 3b8h n GLY 534 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3b8h h GLU 535 N 0.00 -0.39 0.34 1.61 4.81 -1.94 -2.48 114.58 116.53 3b8h h GLU 535 Ca -0.11 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3b8h h GLU 535 Cb 0.42 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3b8h h GLU 535 CO 0.14 -0.26 -0.16 1.25 -0.73 0.00 0.00 179.01 179.25 3b8h h LEU 536 N -0.41 -0.39 -0.73 1.64 5.85 -1.97 -1.57 115.31 117.74 3b8h h LEU 536 Ca -0.02 -0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.77 3b8h h LEU 536 Cb 0.34 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.37 3b8h h LEU 536 CO 0.02 -0.15 0.21 -0.74 -0.34 0.00 0.00 178.44 177.44 3b8h h HIS 537 N -0.62 0.34 -0.65 1.25 2.76 -1.96 0.22 115.15 116.50 3b8h h HIS 537 Ca -0.05 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 3b8h h HIS 537 Cb 0.45 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 3b8h h HIS 537 CO -0.01 -0.04 0.09 1.25 -1.30 0.00 0.00 177.93 177.92 3b8h h LEU 538 N 0.32 1.04 -0.24 0.26 5.85 -1.40 -2.71 115.31 118.42 3b8h h LEU 538 Ca 0.41 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3b8h h LEU 538 Cb 0.67 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3b8h h LEU 538 CO -0.47 1.04 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.50 3b8h h GLU 539 N 0.99 -0.05 -0.04 1.25 4.57 0.44 -2.27 114.58 119.48 3b8h h GLU 539 Ca 0.20 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 3b8h h GLU 539 Cb 0.45 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3b8h h GLU 539 CO 0.01 -0.03 0.01 0.82 -1.18 0.00 0.00 179.01 178.64 3b8h h ILE 540 N -0.05 1.17 -0.31 2.32 2.04 -1.22 -2.76 117.51 118.70 3b8h h ILE 540 Ca 0.12 -0.52 0.09 0.00 1.00 0.00 0.00 64.86 65.55 3b8h h ILE 540 Cb 0.24 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3b8h h ILE 540 CO -0.28 0.14 0.32 0.00 0.00 0.00 0.00 178.15 178.33 3b8h h LEU 542 N 0.00 -0.03 0.03 0.00 3.38 -1.12 -3.16 115.31 114.41 3b8h h LEU 542 Ca 0.15 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.56 3b8h h LEU 542 Cb 0.78 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3b8h h LEU 542 CO -0.00 0.59 -0.26 1.56 0.09 0.00 0.00 178.44 180.42 3b8h h GLN 543 N -0.67 -0.40 -0.61 1.13 4.20 -1.23 -2.31 115.11 115.22 3b8h h GLN 543 Ca -0.00 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.87 3b8h h GLN 543 Cb 0.62 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 3b8h h GLN 543 CO 0.01 -0.27 0.42 -0.44 -0.67 0.00 0.00 178.83 177.88 3b8h h ASP 544 N -0.41 0.21 -0.13 1.46 5.19 -1.59 -1.55 116.42 119.59 3b8h h ASP 544 Ca 0.05 0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.38 3b8h h ASP 544 Cb 0.48 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.96 3b8h h ASP 544 CO -0.21 0.11 -0.29 0.25 -3.12 0.00 0.00 179.24 175.99 3b8h h LEU 545 N 0.22 0.48 -0.66 1.55 5.85 -1.39 0.17 115.31 121.53 3b8h h LEU 545 Ca 0.29 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3b8h h LEU 545 Cb 0.84 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3b8h h LEU 545 CO -0.06 0.96 0.00 -0.08 -0.34 0.00 0.00 178.44 178.92 3b8h h GLU 546 N 0.02 0.00 0.00 1.25 4.81 -0.93 -0.87 114.58 118.86 3b8h h GLU 546 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 3b8h h GLU 546 Cb 0.89 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 3b8h h GLU 546 CO 0.06 0.00 -1.78 0.72 -0.73 0.00 0.00 179.01 177.28 3b8h n HIS 547 N -2.53 0.00 0.00 0.92 8.25 -0.70 -3.13 115.22 118.03 3b8h n HIS 547 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3b8h n HIS 547 Cb 0.32 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.57 0.00 -0.25 0.41 8.00 0.55 -4.36 116.55 118.33 3b8h n ASP 548 Ca -0.20 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.34 3b8h n ASP 548 Cb 0.83 -0.02 0.14 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.11 0.00 1.24 3.86 -1.56 -3.27 115.15 115.32 3b8h h HIS 549 Ca 0.00 0.06 -0.33 0.00 -1.16 0.00 0.00 60.37 58.93 3b8h h HIS 549 Cb 0.00 0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.59 3b8h h HIS 549 CO 0.00 -0.25 -2.11 0.00 0.86 0.00 0.00 177.93 176.42 3b8h n ALA 550 N -2.98 1.71 -3.09 2.45 0.00 -0.35 -3.83 120.51 114.40 3b8h n ALA 550 Ca 0.13 -0.79 -0.13 0.00 0.00 0.00 0.00 53.44 52.64 3b8h n ALA 550 Cb 0.45 0.23 0.05 0.00 0.00 0.00 0.00 19.45 20.18 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 1.79 0.07 2.87 0.00 0.00 -1.07 -4.83 105.19 104.00 3b8h n GLY 551 Ca -0.39 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.19 0.01 -0.41 1.61 1.01 -1.18 -4.95 120.40 113.30 3b8h s VAL 552 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 61.98 61.91 3b8h s VAL 552 Cb -0.13 -0.03 -0.13 0.00 0.00 0.00 0.00 36.38 36.09 3b8h s VAL 552 CO 0.42 0.01 2.20 -2.65 0.00 0.00 0.00 175.10 175.08 3b8h n PRO 553 N 3.14 0.78 -4.34 2.72 -0.02 -1.26 -4.77 135.00 131.25 3b8h n PRO 553 Ca -0.13 0.20 -0.33 0.00 -2.02 0.00 0.00 63.50 61.23 3b8h n PRO 553 Cb 0.59 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 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 7.15 3.41 -0.31 2.45 1.43 -1.26 -0.88 118.68 130.68 3b8h s LEU 554 Ca 1.13 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 54.16 3b8h s LEU 554 Cb -1.01 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 43.31 3b8h s LEU 554 CO 0.53 0.29 0.01 -0.75 0.23 0.00 0.00 176.35 176.65 3b8h s LYS 555 N -1.49 2.43 0.00 1.70 2.20 0.10 -4.84 119.74 119.85 3b8h s LYS 555 Ca 0.18 -1.28 0.00 0.00 -0.36 0.00 0.00 55.97 54.52 3b8h s LYS 555 Cb -0.11 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 3b8h s LYS 555 CO 0.09 -0.63 0.00 -0.89 -0.36 0.00 0.00 175.35 173.56 3b8h n ILE 556 N 4.63 0.00 -3.51 5.43 2.08 -1.26 -2.73 119.36 124.00 3b8h n ILE 556 Ca -0.13 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.06 3b8h n ILE 556 Cb 0.43 -0.09 -0.03 0.00 -0.75 0.00 0.00 39.64 39.20 3b8h n ILE 556 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3b8h s SER 557 N -1.00 -0.45 0.73 4.38 1.04 -1.25 -4.92 113.70 112.23 3b8h s SER 557 Ca 0.00 -0.04 -0.16 0.00 0.48 0.00 0.00 55.95 56.22 3b8h s SER 557 Cb 0.00 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 3b8h s SER 557 CO 0.00 -0.88 0.36 -2.65 0.98 0.00 0.00 173.24 171.05 3b8h n PRO 558 N -0.16 0.22 -1.78 4.02 -0.02 -1.26 -4.72 135.00 131.30 3b8h n PRO 558 Ca -0.17 0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 3b8h n PRO 558 Cb 0.64 -1.68 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 3b8h n PRO 558 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3b8h s PRO 559 N -2.57 3.25 -0.10 0.52 0.04 -1.26 -4.82 135.00 130.05 3b8h s PRO 559 Ca 0.62 1.79 -0.09 0.00 0.04 0.00 0.00 61.00 63.36 3b8h s PRO 559 Cb -0.34 -4.29 -0.05 0.00 0.04 0.00 0.00 34.50 29.86 3b8h s PRO 559 CO 0.61 -1.97 0.21 0.08 0.04 0.00 0.00 177.00 175.97 3b8h s VAL 560 N 7.59 5.38 0.07 -0.36 1.01 -0.90 -4.96 120.40 128.24 3b8h s VAL 560 Ca 0.91 0.37 -0.22 0.00 0.00 0.00 0.00 61.98 63.05 3b8h s VAL 560 Cb -0.29 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 3b8h s VAL 560 CO 0.35 0.58 0.64 -0.69 0.00 0.00 0.00 175.10 175.98 3b8h s VAL 561 N -0.81 4.69 0.01 2.92 1.01 -1.26 -1.71 120.40 125.25 3b8h s VAL 561 Ca 0.16 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 3b8h s VAL 561 Cb -0.13 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3b8h s VAL 561 CO 0.06 0.50 0.92 0.00 0.00 0.00 0.00 175.10 176.57 3b8h s ALA 562 N -0.80 3.21 0.45 5.51 0.00 -0.32 -4.97 121.76 124.85 3b8h s ALA 562 Ca 0.32 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.80 3b8h s ALA 562 Cb -0.20 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3b8h s ALA 562 CO 0.21 -0.16 0.09 0.71 0.00 0.00 0.00 175.76 176.60 3b8h s TYR 563 N 0.76 2.28 0.08 0.00 2.02 -1.26 -4.31 117.35 116.91 3b8h s TYR 563 Ca 0.48 -0.74 0.08 0.00 -0.37 0.00 0.00 57.07 56.52 3b8h s TYR 563 Cb -0.21 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 3b8h s TYR 563 CO 0.26 0.23 -0.21 1.03 -1.57 0.00 0.00 175.55 175.30 3b8h s ARG 564 N -3.86 1.26 -0.25 -0.62 3.00 -0.49 -3.93 118.95 114.06 3b8h s ARG 564 Ca 0.28 -1.08 -0.05 0.00 0.00 0.00 0.00 55.73 54.88 3b8h s ARG 564 Cb 0.05 -1.47 -0.01 0.00 0.00 0.00 0.00 34.95 33.52 3b8h s ARG 564 CO 0.15 0.36 0.01 -1.21 0.00 0.00 0.00 175.30 174.61 3b8h s GLU 565 N -1.61 3.33 0.34 3.54 2.02 0.19 -0.28 118.70 126.22 3b8h s GLU 565 Ca 0.07 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.42 3b8h s GLU 565 Cb -0.10 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 30.91 3b8h s GLU 565 CO 0.03 -0.27 0.08 -0.08 0.02 0.00 0.00 175.26 175.04 3b8h s THR 566 N 1.50 0.99 0.14 3.63 -1.32 -0.21 -1.17 115.64 119.20 3b8h s THR 566 Ca 0.05 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.63 3b8h s THR 566 Cb -0.15 -2.68 -0.04 0.00 -1.51 0.00 0.00 72.50 68.12 3b8h s THR 566 CO -0.00 0.00 -0.21 0.68 -2.21 0.00 0.00 174.62 172.87 3b8h s VAL 567 N -3.33 2.59 -0.23 5.08 -7.23 -1.26 -0.63 120.40 115.38 3b8h s VAL 567 Ca 0.34 -1.70 0.15 0.00 -1.81 0.00 0.00 61.98 58.96 3b8h s VAL 567 Cb 0.07 -2.19 -0.21 0.00 0.56 0.00 0.00 36.38 34.61 3b8h s VAL 567 CO 0.15 0.04 0.43 1.21 -0.31 0.00 0.00 175.10 176.62 3b8h n GLU 568 N 0.67 0.97 -1.75 4.82 4.07 -0.01 -4.44 120.64 124.98 3b8h n GLU 568 Ca -0.15 -0.10 -0.00 0.00 -0.06 0.00 0.00 57.16 56.85 3b8h n GLU 568 Cb 0.54 -1.31 -0.00 0.00 -0.06 0.00 0.00 31.44 30.60 3b8h n GLU 568 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3b8h n SER 569 N -1.82 -0.03 -4.86 4.31 3.41 -0.94 -4.82 113.62 108.87 3b8h n SER 569 Ca -0.01 -1.06 -0.32 0.00 -0.26 0.00 0.00 58.87 57.23 3b8h n SER 569 Cb 0.35 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 3b8h n SER 569 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3b8h s GLU 570 N -2.03 3.93 -0.03 4.33 2.12 -1.26 -3.94 118.70 121.83 3b8h s GLU 570 Ca 0.01 0.61 -0.36 0.00 0.36 0.00 0.00 54.97 55.58 3b8h s GLU 570 Cb -0.00 -2.42 -0.14 0.00 0.26 0.00 0.00 34.13 31.83 3b8h s GLU 570 CO 0.01 0.10 1.66 0.43 -0.54 0.00 0.00 175.26 176.92 3b8h n SER 571 N -0.63 2.72 0.20 -1.70 7.64 -0.40 -4.48 113.62 116.98 3b8h n SER 571 Ca 0.03 1.06 0.17 0.00 1.01 0.00 0.00 58.87 61.13 3b8h n SER 571 Cb 0.53 -1.29 0.82 0.00 -1.01 0.00 0.00 64.21 63.26 3b8h n SER 571 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3b8h h SER 572 N 6.93 0.00 -5.12 6.43 4.64 -1.02 -3.43 113.55 121.98 3b8h h SER 572 Ca -0.47 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.80 3b8h h SER 572 Cb 1.29 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.27 3b8h h SER 572 CO 0.90 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 176.77 3b8h s GLN 573 N -4.67 1.21 0.24 4.77 -2.07 -1.26 -5.14 119.66 112.74 3b8h s GLN 573 Ca -0.05 -0.87 -0.31 0.00 -1.82 0.00 0.00 55.36 52.32 3b8h s GLN 573 Cb 0.16 0.47 -0.11 0.00 -1.09 0.00 0.00 33.01 32.43 3b8h s GLN 573 CO 0.56 -0.48 1.61 0.99 -1.32 0.00 0.00 175.29 176.65 3b8h s THR 574 N -3.87 2.20 -0.09 3.63 2.01 -1.26 -4.93 115.64 113.34 3b8h s THR 574 Ca 0.08 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.06 3b8h s THR 574 Cb 0.01 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 3b8h s THR 574 CO -0.06 0.02 0.47 0.00 -0.69 0.00 0.00 174.62 174.36 3b8h s ALA 575 N 0.52 3.51 -0.04 7.40 0.00 0.29 -4.93 121.76 128.51 3b8h s ALA 575 Ca 0.67 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.48 3b8h s ALA 575 Cb -0.47 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3b8h s ALA 575 CO 0.40 0.09 -0.11 -1.17 0.00 0.00 0.00 175.76 174.97 3b8h s LEU 576 N 0.28 1.77 0.01 0.00 2.96 -1.26 -1.26 118.68 121.18 3b8h s LEU 576 Ca 0.26 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3b8h s LEU 576 Cb -0.16 -0.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 3b8h s LEU 576 CO 0.11 0.08 0.06 -0.55 -1.32 0.00 0.00 176.35 174.72 3b8h s SER 577 N 0.28 0.11 0.04 3.68 0.15 -1.06 -0.50 113.70 116.40 3b8h s SER 577 Ca -0.06 -0.30 0.08 0.00 0.70 0.00 0.00 55.95 56.37 3b8h s SER 577 Cb -0.11 0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 3b8h s SER 577 CO 0.01 -0.30 -0.23 -0.75 1.20 0.00 0.00 173.24 173.17 3b8h s LYS 578 N -1.26 1.59 0.72 5.44 2.20 -1.26 -2.15 119.74 125.02 3b8h s LYS 578 Ca -0.14 -0.99 -0.14 0.00 -0.36 0.00 0.00 55.97 54.34 3b8h s LYS 578 Cb -0.08 -1.71 0.03 0.00 -1.51 0.00 0.00 37.83 34.57 3b8h s LYS 578 CO 0.00 0.44 1.15 -1.54 -0.36 0.00 0.00 175.35 175.04 3b8h s SER 579 N -1.14 4.49 0.33 1.43 1.04 -0.04 -4.79 113.70 115.03 3b8h s SER 579 Ca 0.09 2.13 0.10 0.00 0.48 0.00 0.00 55.95 58.76 3b8h s SER 579 Cb -0.09 -2.56 0.88 0.00 0.10 0.00 0.00 66.02 64.35 3b8h s SER 579 CO 0.02 -2.05 1.76 -0.65 0.98 0.00 0.00 173.24 173.29 3b8h h PRO 580 N -0.40 0.59 0.00 4.02 0.11 -1.91 0.34 132.00 134.76 3b8h h PRO 580 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3b8h h PRO 580 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3b8h h PRO 580 CO 0.51 0.39 0.00 0.27 -0.21 0.00 0.00 178.00 178.96 3b8h n ASN 581 N -4.78 0.00 -0.13 -2.05 0.23 -1.26 -4.89 115.26 102.37 3b8h n ASN 581 Ca 0.25 -0.56 -0.02 0.00 -0.53 0.00 0.00 54.58 53.72 3b8h n ASN 581 Cb 0.71 -0.12 -0.01 0.00 -2.08 0.00 0.00 39.78 38.28 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 -1.12 -0.79 -0.00 -3.83 4.76 0.12 -4.87 118.16 112.43 3b8h n LYS 582 Ca 0.18 0.33 0.08 0.00 -2.87 0.00 0.00 58.31 56.03 3b8h n LYS 582 Cb 0.15 -4.00 -0.11 0.00 -1.84 0.00 0.00 35.03 29.23 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 -2.61 0.00 -5.03 2.13 8.25 -1.26 -4.90 115.22 111.79 3b8h n HIS 583 Ca -0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 3b8h n HIS 583 Cb 0.22 -0.12 -0.15 0.00 1.12 0.00 0.00 29.99 31.06 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 -3.02 2.58 0.06 0.41 0.01 -1.26 -3.61 114.94 110.11 3b8h s ASN 584 Ca 0.02 -0.41 0.05 0.00 -0.71 0.00 0.00 52.86 51.81 3b8h s ASN 584 Cb 0.12 -0.28 -0.03 0.00 0.41 0.00 0.00 41.25 41.48 3b8h s ASN 584 CO 0.70 0.26 -0.13 -0.13 -1.51 0.00 0.00 177.10 176.29 3b8h s ARG 585 N -0.60 0.77 -0.06 -0.60 0.52 -0.15 -0.86 118.95 117.97 3b8h s ARG 585 Ca 0.08 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 3b8h s ARG 585 Cb -0.08 -0.73 0.02 0.00 0.52 0.00 0.00 34.95 34.68 3b8h s ARG 585 CO -0.00 0.16 -0.04 0.42 0.02 0.00 0.00 175.30 175.86 3b8h s ILE 586 N -1.25 0.57 -0.11 1.52 1.01 -0.91 -2.07 121.20 119.95 3b8h s ILE 586 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 3b8h s ILE 586 Cb -0.10 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 3b8h s ILE 586 CO 0.02 0.26 -0.06 -0.31 0.00 0.00 0.00 174.94 174.84 3b8h s TYR 587 N 1.30 2.96 0.21 3.97 2.02 -0.13 -2.55 117.35 125.13 3b8h s TYR 587 Ca -0.05 -0.16 -0.18 0.00 -0.37 0.00 0.00 57.07 56.31 3b8h s TYR 587 Cb -0.14 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 3b8h s TYR 587 CO -0.02 0.14 0.55 -0.48 -1.57 0.00 0.00 175.55 174.18 3b8h s LEU 588 N -0.27 0.01 -0.00 -1.29 0.05 -0.39 -0.61 118.68 116.19 3b8h s LEU 588 Ca 0.04 -0.53 -0.02 0.00 0.05 0.00 0.00 54.13 53.67 3b8h s LEU 588 Cb -0.13 2.22 -0.00 0.00 -2.05 0.00 0.00 46.19 46.23 3b8h s LEU 588 CO 0.02 -1.11 0.03 -0.54 -0.55 0.00 0.00 176.35 174.20 3b8h s LYS 589 N -3.89 0.19 0.16 1.48 1.02 -0.55 -0.55 119.74 117.60 3b8h s LYS 589 Ca 0.11 -0.23 0.04 0.00 0.02 0.00 0.00 55.97 55.90 3b8h s LYS 589 Cb -0.02 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 3b8h s LYS 589 CO -0.00 -0.03 0.17 0.00 -0.92 0.00 0.00 175.35 174.56 3b8h s ALA 590 N -0.67 3.67 0.05 5.17 0.00 -1.26 -0.68 121.76 128.03 3b8h s ALA 590 Ca -0.07 -1.16 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 3b8h s ALA 590 Cb -0.05 -1.47 0.06 0.00 0.00 0.00 0.00 23.12 21.66 3b8h s ALA 590 CO -0.00 0.53 0.55 -1.83 0.00 0.00 0.00 175.76 175.00 3b8h s GLU 591 N -3.09 1.06 0.35 0.00 -1.05 0.09 -1.28 118.70 114.78 3b8h s GLU 591 Ca 0.32 -0.20 -0.28 0.00 -0.15 0.00 0.00 54.97 54.66 3b8h s GLU 591 Cb -0.10 0.49 -0.09 0.00 -0.44 0.00 0.00 34.13 33.98 3b8h s GLU 591 CO 0.25 -0.39 1.24 -2.14 0.95 0.00 0.00 175.26 175.17 3b8h s PRO 592 N -2.43 4.26 -0.15 -4.83 0.02 -1.25 -0.77 135.00 129.84 3b8h s PRO 592 Ca -0.05 2.06 -0.12 0.00 0.02 0.00 0.00 61.00 62.90 3b8h s PRO 592 Cb -0.01 -2.94 -0.05 0.00 0.02 0.00 0.00 34.50 31.52 3b8h s PRO 592 CO -0.02 -0.21 0.26 0.42 -0.33 0.00 0.00 177.00 177.12 3b8h s ILE 593 N -1.23 5.32 0.29 2.83 1.01 0.21 -4.77 121.20 124.86 3b8h s ILE 593 Ca 0.51 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 61.34 3b8h s ILE 593 Cb -0.36 -3.58 -0.13 0.00 0.01 0.00 0.00 42.46 38.40 3b8h s ILE 593 CO 0.47 0.45 1.37 0.47 0.00 0.00 0.00 174.94 177.70 3b8h n ASP 594 N 3.19 2.89 -0.34 3.58 8.00 -1.26 -4.77 116.55 127.83 3b8h n ASP 594 Ca -0.14 1.17 0.18 0.00 0.71 0.00 0.00 54.79 56.72 3b8h n ASP 594 Cb 0.52 -1.47 0.39 0.00 -0.02 0.00 0.00 41.12 40.54 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 3.49 0.53 -0.76 -1.24 4.39 -1.97 0.95 114.58 119.98 3b8h h GLU 595 Ca -0.46 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.25 3b8h h GLU 595 Cb 1.27 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.75 3b8h h GLU 595 CO 0.70 0.35 0.47 0.93 -1.16 0.00 0.00 179.01 180.30 3b8h h GLU 596 N 0.55 0.88 -0.21 2.33 5.08 -1.99 0.10 114.58 121.32 3b8h h GLU 596 Ca 0.65 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.78 3b8h h GLU 596 Cb 1.27 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 3b8h h GLU 596 CO -0.49 0.58 -0.60 0.28 -1.00 0.00 0.00 179.01 177.78 3b8h h VAL 597 N 0.90 1.30 0.42 3.13 2.07 -1.22 -1.06 116.25 121.80 3b8h h VAL 597 Ca 0.31 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 3b8h h VAL 597 Cb 0.06 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3b8h h VAL 597 CO -0.13 0.58 -0.20 0.28 0.02 0.00 0.00 177.57 178.12 3b8h h SER 598 N 0.53 -0.48 -0.92 0.57 0.02 -0.81 -1.13 113.55 111.33 3b8h h SER 598 Ca -0.00 -0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.04 3b8h h SER 598 Cb 1.18 0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.76 3b8h h SER 598 CO 0.12 -0.26 0.54 -0.07 -1.14 0.00 0.00 176.83 176.02 3b8h h LEU 599 N -0.67 0.74 -1.24 5.07 3.38 -0.81 0.65 115.31 122.43 3b8h h LEU 599 Ca -0.06 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3b8h h LEU 599 Cb 0.49 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3b8h h LEU 599 CO 0.10 0.36 0.11 0.00 0.09 0.00 0.00 178.44 179.10 3b8h h ALA 600 N 1.54 1.39 -0.06 1.53 0.00 -0.95 0.28 119.26 122.99 3b8h h ALA 600 Ca 0.48 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3b8h h ALA 600 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3b8h h ALA 600 CO -0.31 0.44 -0.16 0.82 0.00 0.00 0.00 179.25 180.04 3b8h h ILE 601 N 0.62 1.43 0.00 0.00 2.04 0.21 -0.98 117.51 120.83 3b8h h ILE 601 Ca 0.14 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 3b8h h ILE 601 Cb 0.23 2.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3b8h h ILE 601 CO -0.00 0.42 -0.10 -0.33 0.00 0.00 0.00 178.15 178.13 3b8h h GLU 602 N -0.29 0.00 -0.63 2.37 5.08 -0.67 -2.30 114.58 118.14 3b8h h GLU 602 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3b8h h GLU 602 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3b8h h GLU 602 CO 0.03 0.10 0.00 0.09 -1.00 0.00 0.00 179.01 178.24 3b8h n ASN 603 N -3.69 5.20 0.00 1.42 3.02 0.97 -4.95 115.26 117.22 3b8h n ASN 603 Ca -0.02 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 3b8h n ASN 603 Cb 0.22 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 0.97 2.74 0.39 7.41 0.00 -0.87 -4.84 105.19 110.99 3b8h n GLY 604 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 0.09 -3.27 -0.61 2.04 -1.46 -3.23 117.51 111.08 3b8h h ILE 605 Ca 0.00 0.00 -0.66 0.00 1.00 0.00 0.00 64.86 65.20 3b8h h ILE 605 Cb 0.00 0.09 -0.16 0.00 -0.74 0.00 0.00 36.82 36.01 3b8h h ILE 605 CO 0.00 0.00 0.20 -0.63 0.00 0.00 0.00 178.15 177.72 3b8h s ILE 606 N -5.84 4.74 -0.15 -0.67 1.01 -0.78 -5.00 121.20 114.51 3b8h s ILE 606 Ca -0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 3b8h s ILE 606 Cb 0.13 -4.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 3b8h s ILE 606 CO 0.66 -0.87 -0.09 0.21 0.00 0.00 0.00 174.94 174.84 3b8h s ASN 607 N 2.67 4.25 0.51 3.58 3.84 -1.22 -4.39 114.94 124.18 3b8h s ASN 607 Ca 0.20 -0.29 0.21 0.00 0.21 0.00 0.00 52.86 53.19 3b8h s ASN 607 Cb -0.17 -1.68 1.29 0.00 -0.55 0.00 0.00 41.25 40.15 3b8h s ASN 607 CO 0.14 0.13 2.02 -0.65 -2.79 0.00 0.00 177.10 175.96 3b8h h PRO 608 N 6.95 0.08 -0.01 0.43 0.11 -1.91 -2.43 132.00 135.22 3b8h h PRO 608 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3b8h h PRO 608 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3b8h h PRO 608 CO 0.58 0.05 -0.54 0.54 -0.21 0.00 0.00 178.00 178.43 3b8h n ARG 609 N -4.43 0.48 -1.39 1.05 1.74 -1.26 -4.95 116.66 107.90 3b8h n ARG 609 Ca 0.07 -0.34 -0.30 0.00 -0.77 0.00 0.00 57.85 56.51 3b8h n ARG 609 Cb 0.45 -1.49 0.10 0.00 -1.02 0.00 0.00 32.46 30.50 3b8h n ARG 609 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3b8h s ASP 610 N -2.75 4.32 0.17 0.55 1.11 -0.92 -4.95 116.67 114.20 3b8h s ASP 610 Ca 0.16 1.51 -0.33 0.00 0.18 0.00 0.00 52.55 54.08 3b8h s ASP 610 Cb 0.18 -2.25 -0.12 0.00 1.07 0.00 0.00 42.92 41.80 3b8h s ASP 610 CO 0.66 -2.11 1.70 -0.67 1.18 0.00 0.00 175.17 175.94 3b8h n ASP 611 N -3.54 3.73 0.20 0.27 2.03 -1.26 -4.87 116.55 113.11 3b8h n ASP 611 Ca 0.07 1.05 0.06 0.00 0.52 0.00 0.00 54.79 56.50 3b8h n ASP 611 Cb 0.55 -1.52 0.53 0.00 -0.72 0.00 0.00 41.12 39.96 3b8h n ASP 611 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3b8h h PHE 612 N 6.85 0.10 -0.14 -0.67 -5.15 -1.94 0.01 116.94 115.99 3b8h h PHE 612 Ca -0.44 -0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.17 3b8h h PHE 612 Cb 1.22 -0.03 0.01 0.00 0.22 0.00 0.00 35.95 37.37 3b8h h PHE 612 CO 0.66 0.16 -0.53 0.87 -2.00 0.00 0.00 178.31 177.47 3b8h h LYS 613 N 0.10 0.61 -0.32 6.09 1.57 -1.93 -0.81 116.57 121.88 3b8h h LYS 613 Ca 0.02 -0.46 -0.09 0.00 -1.87 0.00 0.00 60.65 58.25 3b8h h LYS 613 Cb 0.16 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3b8h h LYS 613 CO 0.01 1.09 -0.14 0.00 -0.57 0.00 0.00 179.45 179.83 3b8h h ALA 614 N 0.53 0.45 -0.67 3.86 0.00 -1.84 -1.55 119.26 120.04 3b8h h ALA 614 Ca -0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3b8h h ALA 614 Cb 1.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3b8h h ALA 614 CO 0.11 0.35 0.42 -0.09 0.00 0.00 0.00 179.25 180.04 3b8h h ARG 615 N 0.44 0.91 -0.65 0.00 2.43 -1.05 -1.85 114.38 114.60 3b8h h ARG 615 Ca 0.07 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3b8h h ARG 615 Cb 0.67 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 3b8h h ARG 615 CO 0.04 0.63 0.38 0.00 -1.51 0.00 0.00 179.97 179.52 3b8h h ALA 616 N 1.22 0.83 -0.83 2.80 0.00 -1.05 -0.54 119.26 121.69 3b8h h ALA 616 Ca 0.24 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.17 3b8h h ALA 616 Cb -0.05 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.40 3b8h h ALA 616 CO -0.05 0.32 0.47 -0.09 0.00 0.00 0.00 179.25 179.90 3b8h h ARG 617 N 0.88 0.74 -0.31 0.00 9.65 -0.78 0.29 114.38 124.85 3b8h h ARG 617 Ca 0.23 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.98 3b8h h ARG 617 Cb -0.00 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.40 3b8h h ARG 617 CO -0.04 0.49 -0.16 0.82 2.80 0.00 0.00 179.97 183.88 3b8h h ILE 618 N 0.76 1.29 -0.40 1.20 2.04 -0.65 -1.05 117.51 120.71 3b8h h ILE 618 Ca 0.41 -1.27 -0.10 0.00 1.00 0.00 0.00 64.86 64.90 3b8h h ILE 618 Cb 0.42 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3b8h h ILE 618 CO -0.27 0.41 -0.14 0.24 0.00 0.00 0.00 178.15 178.39 3b8h h MET 619 N 0.42 0.73 -0.03 2.37 2.86 -0.50 -1.21 114.93 119.57 3b8h h MET 619 Ca 0.07 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 3b8h h MET 619 Cb 0.69 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3b8h h MET 619 CO 0.05 0.84 -0.17 0.00 1.06 0.00 0.00 176.91 178.68 3b8h h ALA 620 N 1.19 0.06 -0.12 6.32 0.00 -0.95 -2.14 119.26 123.61 3b8h h ALA 620 Ca 0.11 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 3b8h h ALA 620 Cb 0.61 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3b8h h ALA 620 CO 0.04 0.02 -0.60 -0.44 0.00 0.00 0.00 179.25 178.27 3b8h h ASP 621 N -0.44 0.44 -0.00 0.00 3.32 -1.17 -3.13 116.42 115.44 3b8h h ASP 621 Ca -0.01 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3b8h h ASP 621 Cb 0.85 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3b8h h ASP 621 CO 0.03 0.93 -0.32 0.47 -1.72 0.00 0.00 179.24 178.64 3b8h n ASP 622 N -3.91 0.60 -0.25 6.45 8.00 -0.46 -4.71 116.55 122.27 3b8h n ASP 622 Ca -0.03 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.68 3b8h n ASP 622 Cb 0.62 0.84 0.01 0.00 -0.02 0.00 0.00 41.12 42.57 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 -0.92 0.00 -3.42 1.24 4.01 -0.85 -5.03 117.16 112.19 3b8h n TYR 623 Ca 0.02 -0.06 -0.24 0.00 -0.16 0.00 0.00 57.90 57.46 3b8h n TYR 623 Cb 0.14 -0.03 0.06 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.08 -0.54 3.88 2.72 0.00 -1.12 -4.91 105.19 105.13 3b8h n GLY 624 Ca 0.01 0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.28 3.56 -0.13 1.61 0.52 -0.96 -4.99 118.94 115.28 3b8h s TRP 625 Ca 0.50 0.68 -0.29 0.00 0.02 0.00 0.00 56.10 57.01 3b8h s TRP 625 Cb -0.22 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 29.98 3b8h s TRP 625 CO 0.62 0.53 1.59 -0.51 0.02 0.00 0.00 176.95 179.20 3b8h s ASP 626 N -1.89 6.59 0.62 2.95 -0.00 -1.26 -4.12 116.67 119.56 3b8h s ASP 626 Ca 0.33 1.95 0.32 0.00 -0.00 0.00 0.00 52.55 55.15 3b8h s ASP 626 Cb -0.13 -2.53 1.83 0.00 -0.00 0.00 0.00 42.92 42.09 3b8h s ASP 626 CO 0.19 -1.03 2.14 1.62 -0.00 0.00 0.00 175.17 178.09 3b8h h VAL 627 N 5.78 0.30 -0.27 -1.27 3.04 -1.94 -0.04 116.25 121.84 3b8h h VAL 627 Ca -0.36 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 3b8h h VAL 627 Cb 1.16 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 3b8h h VAL 627 CO 0.97 0.00 0.08 0.71 -1.01 0.00 0.00 177.57 178.33 3b8h h THR 628 N 0.00 1.20 -0.07 3.17 1.35 -1.97 -2.13 112.91 114.46 3b8h h THR 628 Ca 0.05 -0.63 -0.02 0.00 -0.55 0.00 0.00 66.41 65.26 3b8h h THR 628 Cb 0.38 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3b8h h THR 628 CO -0.00 0.21 -0.01 0.44 -0.25 0.00 0.00 175.52 175.90 3b8h h ASP 629 N 0.27 0.14 -0.58 5.36 3.32 -1.42 -3.10 116.42 120.41 3b8h h ASP 629 Ca 0.09 -0.36 0.14 0.00 0.02 0.00 0.00 57.03 56.91 3b8h h ASP 629 Cb 0.24 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3b8h h ASP 629 CO -0.00 0.46 0.40 0.00 -1.72 0.00 0.00 179.24 178.38 3b8h h ALA 630 N 0.68 2.30 0.00 3.45 0.00 -1.38 0.24 119.26 124.54 3b8h h ALA 630 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3b8h h ALA 630 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3b8h h ALA 630 CO 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.81 3b8h h ARG 631 N 0.18 0.00 -0.50 0.00 3.08 -1.31 -3.24 114.38 112.58 3b8h h ARG 631 Ca 0.27 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.05 3b8h h ARG 631 Cb 0.84 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.73 3b8h h ARG 631 CO -0.04 0.00 0.02 1.63 -1.07 0.00 0.00 179.97 180.51 3b8h n LYS 632 N -2.36 2.03 -2.19 0.04 5.02 0.84 -4.98 118.16 116.57 3b8h n LYS 632 Ca 0.04 -3.24 -0.42 0.00 -2.02 0.00 0.00 58.31 52.67 3b8h n LYS 632 Cb 0.37 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 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 -3.42 3.78 -0.01 -0.18 1.01 -1.19 -1.74 121.20 119.45 3b8h s ILE 633 Ca 0.48 1.05 0.04 0.00 0.00 0.00 0.00 60.65 62.22 3b8h s ILE 633 Cb 0.42 -3.68 -0.25 0.00 0.01 0.00 0.00 42.46 38.97 3b8h s ILE 633 CO 0.01 -0.05 0.79 -0.50 0.00 0.00 0.00 174.94 175.19 3b8h h TRP 634 N 8.51 0.23 -1.34 3.97 4.06 -1.28 -3.49 115.95 126.61 3b8h h TRP 634 Ca -0.36 -0.17 0.32 0.00 2.06 0.00 0.00 58.89 60.75 3b8h h TRP 634 Cb 1.16 -0.01 -0.15 0.00 -1.00 0.00 0.00 29.16 29.16 3b8h h TRP 634 CO 0.81 1.24 0.87 0.00 -3.56 0.00 0.00 178.44 177.79 3b8h s PHE 636 N -2.32 2.89 -0.04 0.00 0.08 -1.26 -2.81 117.98 114.51 3b8h s PHE 636 Ca 0.13 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.60 3b8h s PHE 636 Cb 0.03 -1.69 0.09 0.00 -0.57 0.00 0.00 43.02 40.89 3b8h s PHE 636 CO -0.04 0.28 0.77 0.20 -0.10 0.00 0.00 175.22 176.33 3b8h s GLY 637 N -3.93 -0.49 0.46 4.36 0.00 -0.82 -3.70 107.32 103.20 3b8h s GLY 637 Ca 0.39 1.36 -0.06 0.00 0.00 0.00 0.00 44.72 46.40 3b8h s GLY 637 CO 0.25 0.81 0.63 -1.55 0.00 0.00 0.00 173.10 173.24 3b8h n PRO 638 N 0.57 -0.41 -1.81 2.90 -0.05 -1.26 -2.52 135.00 132.43 3b8h n PRO 638 Ca -0.15 -1.14 -0.18 0.00 -0.05 0.00 0.00 63.50 61.97 3b8h n PRO 638 Cb 0.59 -0.60 -0.06 0.00 -0.05 0.00 0.00 33.50 33.39 3b8h n PRO 638 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3b8h n ASP 639 N -3.30 -4.94 0.00 3.54 8.00 -1.26 -1.34 116.55 117.25 3b8h n ASP 639 Ca 0.08 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.91 3b8h n ASP 639 Cb 0.30 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 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 -0.53 0.29 0.00 0.44 0.00 -1.24 -4.69 105.19 99.46 3b8h n GLY 640 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.36 0.00 -4.76 1.61 0.23 -0.85 -4.22 115.26 106.91 3b8h n ASN 641 Ca 0.00 -1.00 -0.30 0.00 -0.53 0.00 0.00 54.58 52.75 3b8h n ASN 641 Cb 0.18 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 37.99 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 1.62 0.00 4.83 0.00 -0.45 -4.77 107.32 108.56 3b8h s GLY 642 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.58 3b8h s GLY 642 CO 0.00 0.34 2.49 -1.55 0.00 0.00 0.00 173.10 174.38 3b8h n PRO 643 N -3.64 1.29 -3.96 2.90 -0.04 -1.21 -3.09 135.00 127.24 3b8h n PRO 643 Ca 0.07 -0.59 -0.11 0.00 -0.04 0.00 0.00 63.50 62.82 3b8h n PRO 643 Cb 0.56 -1.75 -0.13 0.00 -0.04 0.00 0.00 33.50 32.14 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 2.26 0.24 0.03 3.54 0.01 -1.05 -1.15 114.94 118.82 3b8h s ASN 644 Ca 0.40 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.33 3b8h s ASN 644 Cb 0.19 0.03 -0.02 0.00 0.41 0.00 0.00 41.25 41.87 3b8h s ASN 644 CO 0.00 -0.13 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.60 3b8h s LEU 645 N -0.73 2.14 -0.16 0.60 1.43 -0.62 -1.95 118.68 119.39 3b8h s LEU 645 Ca -0.07 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3b8h s LEU 645 Cb -0.05 -0.44 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 3b8h s LEU 645 CO -0.00 0.00 -0.08 -0.69 0.23 0.00 0.00 176.35 175.80 3b8h s VAL 646 N -0.75 3.31 -0.14 -1.59 1.01 -1.12 -0.16 120.40 120.95 3b8h s VAL 646 Ca -0.01 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3b8h s VAL 646 Cb -0.07 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 3b8h s VAL 646 CO 0.01 0.49 -0.16 -0.63 0.00 0.00 0.00 175.10 174.80 3b8h s ILE 647 N 0.72 2.62 -0.57 2.22 -1.09 0.72 -0.68 121.20 125.13 3b8h s ILE 647 Ca -0.04 -0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 57.31 3b8h s ILE 647 Cb -0.15 -2.09 0.03 0.00 -1.58 0.00 0.00 42.46 38.68 3b8h s ILE 647 CO 0.02 0.53 1.11 -0.62 -1.23 0.00 0.00 174.94 174.75 3b8h s ASP 648 N 0.66 6.42 -0.22 3.58 2.15 -0.71 -0.78 116.67 127.76 3b8h s ASP 648 Ca -0.08 -0.03 0.12 0.00 0.43 0.00 0.00 52.55 52.99 3b8h s ASP 648 Cb -0.16 -2.52 0.45 0.00 -0.30 0.00 0.00 42.92 40.39 3b8h s ASP 648 CO 0.02 -1.40 1.34 0.00 -0.17 0.00 0.00 175.17 174.96 3b8h n GLN 649 N 8.14 1.85 -1.74 4.34 6.02 -0.51 -4.89 117.38 130.59 3b8h n GLN 649 Ca 0.06 -3.06 -0.31 0.00 -0.01 0.00 0.00 57.00 53.69 3b8h n GLN 649 Cb 0.49 -1.71 0.04 0.00 1.02 0.00 0.00 30.24 30.07 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 -3.11 4.10 -0.19 5.09 -4.23 -1.14 -4.69 115.64 111.46 3b8h s THR 650 Ca 0.40 0.68 0.01 0.00 -1.18 0.00 0.00 61.69 61.61 3b8h s THR 650 Cb 0.36 -3.57 0.02 0.00 1.34 0.00 0.00 72.50 70.66 3b8h s THR 650 CO 0.00 -0.89 -0.18 -0.54 -0.54 0.00 0.00 174.62 172.47 3b8h s LYS 651 N -5.17 2.83 -1.14 3.99 -0.14 -1.26 -4.88 119.74 113.98 3b8h s LYS 651 Ca 0.57 -0.86 -0.25 0.00 -1.36 0.00 0.00 55.97 54.07 3b8h s LYS 651 Cb -0.12 -2.56 0.02 0.00 -1.68 0.00 0.00 37.83 33.49 3b8h s LYS 651 CO 0.54 -0.25 0.73 0.00 -0.76 0.00 0.00 175.35 175.60 3b8h n ALA 652 N 4.62 -2.60 -3.03 5.17 0.00 -1.26 -4.96 120.51 118.45 3b8h n ALA 652 Ca -0.20 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 52.47 3b8h n ALA 652 Cb 0.49 -3.13 -0.12 0.00 0.00 0.00 0.00 19.45 16.69 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 -3.44 4.34 0.33 0.00 1.01 -1.26 -5.09 120.40 116.29 3b8h s VAL 653 Ca 0.44 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 3b8h s VAL 653 Cb -0.20 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 3b8h s VAL 653 CO 0.91 0.23 0.85 -1.10 0.00 0.00 0.00 175.10 176.00 3b8h s GLN 654 N 1.60 4.28 0.00 2.72 -0.21 -1.26 -3.12 119.66 123.67 3b8h s GLN 654 Ca 0.05 1.02 0.00 0.00 0.02 0.00 0.00 55.36 56.46 3b8h s GLN 654 Cb -0.16 -2.55 0.00 0.00 1.00 0.00 0.00 33.01 31.30 3b8h s GLN 654 CO 0.04 0.18 0.00 0.66 -2.12 0.00 0.00 175.29 174.05 3b8h n TYR 655 N 0.03 0.00 -0.34 0.91 4.01 -1.26 -4.87 117.16 115.64 3b8h n TYR 655 Ca 0.03 0.00 0.22 0.00 -0.16 0.00 0.00 57.90 57.99 3b8h n TYR 655 Cb 0.52 -0.97 0.45 0.00 -0.31 0.00 0.00 39.34 39.03 3b8h n TYR 655 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3b8h h LEU 656 N 0.00 0.57 -1.73 7.72 5.85 -1.99 1.01 115.31 126.74 3b8h h LEU 656 Ca 0.00 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3b8h h LEU 656 Cb 0.00 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3b8h h LEU 656 CO 0.00 -0.06 -0.17 1.12 -0.34 0.00 0.00 178.44 178.99 3b8h h HIS 657 N 0.40 0.00 0.00 1.25 2.07 -1.89 -2.80 115.15 114.18 3b8h h HIS 657 Ca 0.71 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.23 3b8h h HIS 657 Cb 1.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.52 3b8h h HIS 657 CO -0.01 0.17 0.00 0.39 -3.07 0.00 0.00 177.93 175.41 3b8h n GLU 658 N -3.75 0.14 -0.09 5.12 1.02 0.35 -1.88 120.64 121.55 3b8h n GLU 658 Ca -0.02 0.40 0.04 0.00 -0.02 0.00 0.00 57.16 57.56 3b8h n GLU 658 Cb 0.28 -1.79 0.09 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.06 0.76 -0.09 -3.67 -5.35 -1.06 -4.73 119.36 103.17 3b8h n ILE 659 Ca 0.02 -0.88 -0.09 0.00 -0.27 0.00 0.00 62.75 61.53 3b8h n ILE 659 Cb 0.20 0.66 -0.02 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.42 0.40 -0.68 6.28 3.64 -1.41 -0.83 116.57 125.40 3b8h h LYS 660 Ca 0.00 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3b8h h LYS 660 Cb 0.58 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 3b8h h LYS 660 CO 0.00 0.33 0.40 -0.44 -2.27 0.00 0.00 179.45 177.47 3b8h h ASP 661 N 0.37 0.62 -0.62 4.20 3.32 -1.85 0.15 116.42 122.61 3b8h h ASP 661 Ca 0.11 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 3b8h h ASP 661 Cb 0.03 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3b8h h ASP 661 CO -0.02 0.41 0.03 0.28 -1.72 0.00 0.00 179.24 178.23 3b8h h SER 662 N 0.75 1.05 -0.48 6.45 0.02 -1.83 -0.10 113.55 119.42 3b8h h SER 662 Ca 0.29 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3b8h h SER 662 Cb 0.12 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3b8h h SER 662 CO -0.15 1.08 0.14 0.58 -1.14 0.00 0.00 176.83 177.34 3b8h h VAL 663 N 0.98 1.23 -0.22 2.27 2.07 -0.53 -0.63 116.25 121.43 3b8h h VAL 663 Ca 0.18 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3b8h h VAL 663 Cb 0.53 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3b8h h VAL 663 CO 0.03 0.28 0.05 0.58 0.02 0.00 0.00 177.57 178.53 3b8h h VAL 664 N 0.64 1.21 -0.39 2.57 2.07 -0.58 -2.10 116.25 119.68 3b8h h VAL 664 Ca 0.15 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.02 3b8h h VAL 664 Cb 0.29 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3b8h h VAL 664 CO -0.00 0.22 0.14 0.00 0.02 0.00 0.00 177.57 177.95 3b8h h ALA 665 N 0.86 0.45 -0.93 1.67 0.00 -0.92 -1.73 119.26 118.66 3b8h h ALA 665 Ca 0.07 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3b8h h ALA 665 Cb 0.29 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3b8h h ALA 665 CO 0.00 -0.25 0.61 0.00 0.00 0.00 0.00 179.25 179.61 3b8h h ALA 666 N 1.25 1.49 -0.24 0.00 0.00 -1.01 -2.17 119.26 118.58 3b8h h ALA 666 Ca 0.18 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3b8h h ALA 666 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3b8h h ALA 666 CO -0.18 0.37 -0.29 0.35 0.00 0.00 0.00 179.25 179.50 3b8h h PHE 667 N 1.06 0.53 -0.28 0.00 3.57 -0.63 -1.91 116.94 119.28 3b8h h PHE 667 Ca 0.40 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 3b8h h PHE 667 Cb 0.21 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3b8h h PHE 667 CO -0.00 0.71 0.05 1.96 -2.23 0.00 0.00 178.31 178.80 3b8h h GLN 668 N 0.41 0.41 0.12 1.11 1.08 -0.70 -1.85 115.11 115.68 3b8h h GLN 668 Ca 0.06 -0.06 -0.30 0.00 -1.45 0.00 0.00 58.65 56.89 3b8h h GLN 668 Cb 0.71 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 3b8h h GLN 668 CO 0.05 0.39 -1.51 -1.49 -0.95 0.00 0.00 178.83 175.33 3b8h h TRP 669 N 0.40 0.45 -0.67 2.96 4.06 -1.40 -2.61 115.95 119.14 3b8h h TRP 669 Ca 0.10 -0.33 -0.05 0.00 2.06 0.00 0.00 58.89 60.67 3b8h h TRP 669 Cb 0.18 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 3b8h h TRP 669 CO 0.01 1.37 0.21 0.00 -3.56 0.00 0.00 178.44 176.46 3b8h h ALA 670 N 0.51 0.88 0.00 1.49 0.00 -1.14 -1.95 119.26 119.04 3b8h h ALA 670 Ca -0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3b8h h ALA 670 Cb 2.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 3b8h h ALA 670 CO 0.16 0.55 -0.45 1.79 0.00 0.00 0.00 179.25 181.30 3b8h h THR 671 N 0.97 0.18 -0.25 0.00 1.35 -1.47 -3.26 112.91 110.44 3b8h h THR 671 Ca 0.22 -1.28 -0.06 0.00 -0.55 0.00 0.00 66.41 64.73 3b8h h THR 671 Cb 0.30 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3b8h h THR 671 CO -0.01 0.10 -0.09 0.50 -0.25 0.00 0.00 175.52 175.77 3b8h h LYS 672 N 0.00 0.50 -3.17 4.72 1.63 -1.21 0.12 116.57 119.16 3b8h h LYS 672 Ca -0.01 -0.21 -0.50 0.00 -0.85 0.00 0.00 60.65 59.08 3b8h h LYS 672 Cb 1.11 -0.02 -0.40 0.00 -0.60 0.00 0.00 32.23 32.31 3b8h h LYS 672 CO 0.01 0.75 -0.76 -1.21 -3.45 0.00 0.00 179.45 174.79 3b8h s GLU 673 N -4.66 0.29 0.87 1.90 2.02 -0.75 -3.35 118.70 115.02 3b8h s GLU 673 Ca -0.13 -0.34 -0.13 0.00 0.02 0.00 0.00 54.97 54.39 3b8h s GLU 673 Cb 0.07 -1.78 0.12 0.00 0.10 0.00 0.00 34.13 32.64 3b8h s GLU 673 CO 0.77 -0.76 1.17 0.20 0.02 0.00 0.00 175.26 176.67 3b8h s GLY 674 N 2.02 1.60 0.41 -1.39 0.00 0.12 -4.61 107.32 105.47 3b8h s GLY 674 Ca 0.03 -0.66 0.28 0.00 0.00 0.00 0.00 44.72 44.37 3b8h s GLY 674 CO -0.16 -0.10 1.79 -0.56 0.00 0.00 0.00 173.10 174.07 3b8h h PRO 675 N -1.33 0.00 0.16 2.90 0.13 -1.88 -1.95 132.00 130.04 3b8h h PRO 675 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3b8h h PRO 675 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3b8h h PRO 675 CO 0.61 0.00 -0.08 0.82 -0.23 0.00 0.00 178.00 179.12 3b8h h ILE 676 N 0.00 0.89 0.00 -3.56 2.04 -1.93 -3.44 117.51 111.51 3b8h h ILE 676 Ca 0.00 -1.08 -0.13 0.00 1.00 0.00 0.00 64.86 64.65 3b8h h ILE 676 Cb 0.66 1.46 -0.11 0.00 -0.74 0.00 0.00 36.82 38.09 3b8h h ILE 676 CO 0.00 0.22 -0.20 2.22 0.00 0.00 0.00 178.15 180.39 3b8h n PHE 677 N -4.94 -1.56 -0.97 1.37 1.16 -1.25 -4.86 117.46 106.40 3b8h n PHE 677 Ca -0.08 -1.29 0.00 0.00 -1.87 0.00 0.00 57.45 54.21 3b8h n PHE 677 Cb 0.27 1.32 0.00 0.00 -1.61 0.00 0.00 39.48 39.45 3b8h n PHE 677 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3b8h n GLY 678 N -1.15 0.62 3.91 4.97 0.00 -0.73 -4.90 105.19 107.90 3b8h n GLY 678 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.20 3.15 0.51 1.61 0.41 -1.26 -4.13 118.70 118.78 3b8h s GLU 679 Ca 0.00 0.17 -0.22 0.00 -0.41 0.00 0.00 54.97 54.51 3b8h s GLU 679 Cb 0.00 -2.25 -0.06 0.00 -1.78 0.00 0.00 34.13 30.04 3b8h s GLU 679 CO 0.00 -0.59 1.24 -1.21 -0.49 0.00 0.00 175.26 174.21 3b8h s GLU 680 N -4.98 3.43 0.59 1.61 2.02 -1.21 0.16 118.70 120.31 3b8h s GLU 680 Ca 0.53 1.95 -0.12 0.00 0.02 0.00 0.00 54.97 57.34 3b8h s GLU 680 Cb -0.11 -2.29 -0.05 0.00 0.10 0.00 0.00 34.13 31.78 3b8h s GLU 680 CO 0.47 -0.87 1.01 -1.64 0.02 0.00 0.00 175.26 174.24 3b8h s MET 681 N -2.86 3.69 -0.20 1.61 -1.94 0.40 0.53 119.30 120.54 3b8h s MET 681 Ca 0.68 0.78 -0.16 0.00 -1.71 0.00 0.00 55.69 55.28 3b8h s MET 681 Cb -0.33 -2.11 0.05 0.00 2.01 0.00 0.00 34.83 34.46 3b8h s MET 681 CO 0.39 -0.47 0.51 0.50 -0.01 0.00 0.00 175.02 175.93 3b8h s ARG 682 N -4.87 0.56 -1.35 2.03 3.52 -0.32 -4.73 118.95 113.80 3b8h s ARG 682 Ca 0.56 0.78 -0.08 0.00 -0.13 0.00 0.00 55.73 56.85 3b8h s ARG 682 Cb -0.11 0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.50 3b8h s ARG 682 CO 0.48 -0.10 1.16 0.43 -0.81 0.00 0.00 175.30 176.46 3b8h n SER 683 N 3.27 -5.92 -4.24 -2.12 7.64 -0.30 -4.34 113.62 107.62 3b8h n SER 683 Ca -0.16 -0.56 -0.34 0.00 1.01 0.00 0.00 58.87 58.82 3b8h n SER 683 Cb 0.56 -4.99 -0.15 0.00 -1.01 0.00 0.00 64.21 58.63 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 -3.32 2.92 -0.13 0.44 1.01 -1.24 -0.62 120.40 119.47 3b8h s VAL 684 Ca 0.54 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 3b8h s VAL 684 Cb -0.24 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3b8h s VAL 684 CO 0.73 0.42 0.01 -0.60 0.00 0.00 0.00 175.10 175.67 3b8h s ARG 685 N 1.40 3.39 -0.17 2.72 3.52 0.05 -1.59 118.95 128.26 3b8h s ARG 685 Ca 0.05 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.24 3b8h s ARG 685 Cb -0.14 -2.93 0.03 0.00 -1.56 0.00 0.00 34.95 30.34 3b8h s ARG 685 CO -0.06 0.50 -0.16 0.08 -0.81 0.00 0.00 175.30 174.84 3b8h s VAL 686 N -0.30 1.82 -0.30 7.11 1.01 0.78 -0.73 120.40 129.78 3b8h s VAL 686 Ca 0.07 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 3b8h s VAL 686 Cb -0.12 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3b8h s VAL 686 CO 0.02 0.43 0.27 0.20 0.00 0.00 0.00 175.10 176.02 3b8h s ASN 687 N 1.37 6.10 -0.50 3.32 0.01 0.14 -0.20 114.94 125.19 3b8h s ASN 687 Ca 0.03 -0.08 -0.28 0.00 -0.71 0.00 0.00 52.86 51.82 3b8h s ASN 687 Cb -0.14 -2.16 0.03 0.00 0.41 0.00 0.00 41.25 39.40 3b8h s ASN 687 CO -0.11 -0.17 1.09 -0.63 -1.51 0.00 0.00 177.10 175.77 3b8h s ILE 688 N 1.86 4.24 -0.01 0.60 1.01 0.04 -1.49 121.20 127.46 3b8h s ILE 688 Ca 0.09 1.02 -0.14 0.00 0.00 0.00 0.00 60.65 61.63 3b8h s ILE 688 Cb -0.16 -4.59 -0.33 0.00 0.01 0.00 0.00 42.46 37.39 3b8h s ILE 688 CO 0.11 -1.04 0.82 -0.07 0.00 0.00 0.00 174.94 174.76 3b8h h LEU 689 N 11.19 0.73 -7.14 2.97 3.38 -1.14 -1.32 115.31 123.98 3b8h h LEU 689 Ca -0.24 -0.93 -0.04 0.00 0.09 0.00 0.00 57.88 56.76 3b8h h LEU 689 Cb 1.06 -0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.44 3b8h h LEU 689 CO 1.11 1.75 0.10 -0.62 0.09 0.00 0.00 178.44 180.88 3b8h s ASP 690 N -7.43 -0.47 -0.10 -0.43 2.15 -1.16 -4.07 116.67 105.16 3b8h s ASP 690 Ca -0.13 0.04 -0.07 0.00 0.43 0.00 0.00 52.55 52.82 3b8h s ASP 690 Cb 0.05 0.54 0.03 0.00 -0.30 0.00 0.00 42.92 43.24 3b8h s ASP 690 CO 0.90 -0.84 0.25 -0.69 -0.17 0.00 0.00 175.17 174.61 3b8h s VAL 691 N -3.17 -0.01 -0.13 1.11 1.01 -1.26 -0.95 120.40 116.98 3b8h s VAL 691 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3b8h s VAL 691 Cb -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.02 3b8h s VAL 691 CO -0.08 0.02 -0.21 0.42 0.00 0.00 0.00 175.10 175.25 3b8h s THR 692 N 0.53 2.15 0.13 3.92 -4.23 -0.88 -4.95 115.64 112.31 3b8h s THR 692 Ca -0.03 -0.96 0.11 0.00 -1.18 0.00 0.00 61.69 59.63 3b8h s THR 692 Cb -0.05 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 3b8h s THR 692 CO -0.03 0.55 -0.26 -0.76 -0.54 0.00 0.00 174.62 173.58 3b8h s LEU 693 N 0.72 2.32 0.40 4.79 1.43 -1.26 -0.98 118.68 126.10 3b8h s LEU 693 Ca -0.09 -0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 52.01 3b8h s LEU 693 Cb -0.16 -1.18 -0.08 0.00 0.03 0.00 0.00 46.19 44.80 3b8h s LEU 693 CO 0.00 0.16 1.17 -2.28 0.23 0.00 0.00 176.35 175.64 3b8h s HIS 694 N -1.10 3.06 0.40 0.29 5.65 -1.24 -4.94 115.29 117.40 3b8h s HIS 694 Ca 0.13 1.55 0.07 0.00 0.25 0.00 0.00 55.06 57.06 3b8h s HIS 694 Cb -0.10 -3.39 0.82 0.00 -1.18 0.00 0.00 32.58 28.72 3b8h s HIS 694 CO 0.06 -1.33 2.03 0.00 -0.65 0.00 0.00 174.74 174.85 3b8h h ALA 695 N 2.60 1.65 -2.75 1.58 0.00 -2.00 -3.41 119.26 116.93 3b8h h ALA 695 Ca -0.49 -0.06 -0.61 0.00 0.00 0.00 0.00 54.91 53.75 3b8h h ALA 695 Cb 1.23 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 3b8h h ALA 695 CO 0.62 0.30 -0.13 -0.51 0.00 0.00 0.00 179.25 179.54 3b8h s ASP 696 N -6.70 6.44 0.62 0.00 1.01 -1.26 -4.94 116.67 111.85 3b8h s ASP 696 Ca -0.08 0.53 0.33 0.00 0.71 0.00 0.00 52.55 54.04 3b8h s ASP 696 Cb 0.17 -2.25 1.89 0.00 1.01 0.00 0.00 42.92 43.73 3b8h s ASP 696 CO 0.74 -0.16 2.17 0.00 0.21 0.00 0.00 175.17 178.12 3b8h h ALA 697 N 7.63 1.48 0.00 5.23 0.00 -2.03 -3.32 119.26 128.26 3b8h h ALA 697 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3b8h h ALA 697 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3b8h h ALA 697 CO 0.71 -0.18 0.00 1.51 0.00 0.00 0.00 179.25 181.29 3b8h n ILE 698 N -3.47 0.02 -1.00 0.00 0.13 -1.26 -3.70 119.36 110.07 3b8h n ILE 698 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.64 3b8h n ILE 698 Cb 0.23 -0.40 0.00 0.00 -0.84 0.00 0.00 39.64 38.63 3b8h n ILE 698 CO 0.00 0.00 0.00 -2.11 2.80 0.00 0.00 176.55 177.24 3b8h n ARG 700 N 0.87 -0.53 -1.98 9.51 1.85 -1.25 -5.11 116.66 120.02 3b8h n ARG 700 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.61 3b8h n ARG 700 Cb 0.01 0.00 0.15 0.00 -1.05 0.00 0.00 32.46 31.58 3b8h n ARG 700 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3b8h n GLY 701 N -0.37 -0.60 0.30 2.89 0.00 -1.24 -4.68 105.19 101.48 3b8h n GLY 701 Ca 0.00 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.15 1.35 1.16 -0.02 0.00 -1.97 0.22 103.07 102.66 3b8h h GLY 702 Ca -0.35 -0.13 0.09 0.00 0.00 0.00 0.00 47.33 46.94 3b8h h GLY 702 CO 0.29 -0.22 0.35 -1.33 0.00 0.00 0.00 176.54 175.63 3b8h h GLY 703 N 0.38 0.44 0.52 4.60 0.00 -2.00 -0.71 103.07 106.30 3b8h h GLY 703 Ca 0.50 -0.13 -0.36 0.00 0.00 0.00 0.00 47.33 47.34 3b8h h GLY 703 CO -0.51 0.09 -2.03 -1.06 0.00 0.00 0.00 176.54 173.02 3b8h n GLN 704 N -4.46 0.74 0.06 4.80 1.13 -0.05 -4.49 117.38 115.11 3b8h n GLN 704 Ca 0.08 0.26 -0.21 0.00 -1.94 0.00 0.00 57.00 55.18 3b8h n GLN 704 Cb 0.35 -1.69 -0.15 0.00 0.11 0.00 0.00 30.24 28.87 3b8h n GLN 704 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3b8h h ILE 705 N 0.03 1.29 -0.31 5.09 1.08 -1.10 -3.31 117.51 120.27 3b8h h ILE 705 Ca -0.44 -2.52 0.05 0.00 -0.39 0.00 0.00 64.86 61.56 3b8h h ILE 705 Cb 2.00 3.00 -0.05 0.00 -3.07 0.00 0.00 36.82 38.70 3b8h h ILE 705 CO 0.06 0.74 0.03 0.40 -0.69 0.00 0.00 178.15 178.68 3b8h h ILE 706 N -0.23 0.80 -0.10 -0.67 2.04 -1.35 -0.49 117.51 117.51 3b8h h ILE 706 Ca -0.23 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 3b8h h ILE 706 Cb 1.80 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 3b8h h ILE 706 CO 0.15 0.02 -0.35 -0.65 0.00 0.00 0.00 178.15 177.32 3b8h h PRO 707 N 0.12 0.20 0.06 2.37 0.11 -1.76 -2.19 132.00 130.91 3b8h h PRO 707 Ca 0.15 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 3b8h h PRO 707 Cb 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3b8h h PRO 707 CO -0.23 0.52 -0.03 1.15 -0.21 0.00 0.00 178.00 179.21 3b8h h THR 708 N 0.17 1.03 -0.59 -1.15 2.02 -1.40 -1.43 112.91 111.56 3b8h h THR 708 Ca 0.02 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 3b8h h THR 708 Cb 0.70 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 3b8h h THR 708 CO 0.05 0.07 0.07 -0.03 0.37 0.00 0.00 175.52 176.06 3b8h h MET 709 N -0.21 0.97 -0.15 6.66 1.85 -1.06 -1.25 114.93 121.75 3b8h h MET 709 Ca -0.01 -0.26 -0.02 0.00 -0.61 0.00 0.00 59.70 58.81 3b8h h MET 709 Cb 0.18 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.09 3b8h h MET 709 CO 0.01 0.92 0.02 -0.09 -0.40 0.00 0.00 176.91 177.37 3b8h h ARG 710 N 0.91 0.26 -0.65 0.39 2.43 -1.34 -1.60 114.38 114.79 3b8h h ARG 710 Ca 0.18 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3b8h h ARG 710 Cb 0.43 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3b8h h ARG 710 CO 0.01 0.45 0.06 0.00 -1.51 0.00 0.00 179.97 178.98 3b8h h ARG 711 N 0.03 1.10 -0.36 0.20 3.08 -1.15 -0.32 114.38 116.96 3b8h h ARG 711 Ca 0.05 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.71 3b8h h ARG 711 Cb 0.32 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3b8h h ARG 711 CO 0.00 1.03 -0.05 0.00 -1.07 0.00 0.00 179.97 179.88 3b8h h ALA 712 N 1.04 1.23 -0.27 0.04 0.00 -1.20 0.03 119.26 120.13 3b8h h ALA 712 Ca 0.19 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3b8h h ALA 712 Cb 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3b8h h ALA 712 CO 0.02 0.50 -0.19 1.15 0.00 0.00 0.00 179.25 180.73 3b8h h THR 713 N 0.56 1.30 -0.42 0.00 2.02 -0.85 0.29 112.91 115.81 3b8h h THR 713 Ca 0.11 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 66.00 3b8h h THR 713 Cb 0.43 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3b8h h THR 713 CO 0.02 0.42 0.23 1.88 0.37 0.00 0.00 175.52 178.44 3b8h h TYR 714 N 0.35 0.43 -0.40 3.16 -1.99 -0.81 0.20 116.97 117.90 3b8h h TYR 714 Ca 0.05 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 3b8h h TYR 714 Cb 0.73 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.31 3b8h h TYR 714 CO 0.07 0.24 0.23 0.00 -0.00 0.00 0.00 178.16 178.69 3b8h h ALA 715 N 1.20 0.51 -0.67 3.88 0.00 -0.88 -1.18 119.26 122.12 3b8h h ALA 715 Ca 0.17 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3b8h h ALA 715 Cb 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3b8h h ALA 715 CO -0.10 0.03 0.27 0.78 0.00 0.00 0.00 179.25 180.23 3b8h h GLY 716 N 0.52 1.08 0.81 0.00 0.00 -0.66 -2.59 103.07 102.22 3b8h h GLY 716 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3b8h h GLY 716 CO -0.02 0.55 -0.19 -2.75 0.00 0.00 0.00 176.54 174.13 3b8h h PHE 717 N 0.95 -0.48 0.00 5.60 3.57 -0.28 -2.74 116.94 123.56 3b8h h PHE 717 Ca 0.22 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3b8h h PHE 717 Cb 0.20 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 3b8h h PHE 717 CO 0.01 -0.28 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.73 3b8h h LEU 718 N -0.42 0.00 -0.54 0.59 3.38 -1.14 -1.03 115.31 116.15 3b8h h LEU 718 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3b8h h LEU 718 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3b8h h LEU 718 CO -0.03 0.01 -0.18 0.18 0.09 0.00 0.00 178.44 178.51 3b8h n LEU 719 N -3.13 1.01 -1.86 1.67 4.77 -0.98 -4.19 117.00 114.28 3b8h n LEU 719 Ca -0.01 -0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 55.52 3b8h n LEU 719 Cb 0.21 -0.11 0.16 0.00 -2.33 0.00 0.00 43.42 41.35 3b8h n LEU 719 CO 0.25 0.18 1.02 0.00 -1.33 0.00 0.00 177.39 177.51 3b8h n ALA 720 N -0.54 5.26 -2.95 -1.18 0.00 -0.39 -0.33 120.51 120.38 3b8h n ALA 720 Ca 0.14 -3.17 -0.08 0.00 0.00 0.00 0.00 53.44 50.32 3b8h n ALA 720 Cb 0.33 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.06 -7.73 -4.77 0.00 2.03 -1.26 -2.20 116.55 101.55 3b8h n ASP 721 Ca 0.50 0.34 -0.38 0.00 0.52 0.00 0.00 54.79 55.77 3b8h n ASP 721 Cb 1.21 -5.10 -0.01 0.00 -0.72 0.00 0.00 41.12 36.50 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 -2.73 3.93 0.13 -0.67 0.02 -1.26 -0.83 135.00 133.59 3b8h s PRO 722 Ca 0.20 1.88 -0.05 0.00 0.02 0.00 0.00 61.00 63.06 3b8h s PRO 722 Cb -0.05 -2.60 -0.03 0.00 0.02 0.00 0.00 34.50 31.84 3b8h s PRO 722 CO 0.77 -0.44 0.14 0.15 -0.33 0.00 0.00 177.00 177.30 3b8h s LYS 723 N -2.41 0.97 0.11 5.54 3.01 0.19 -4.55 119.74 122.59 3b8h s LYS 723 Ca 0.59 -1.28 0.10 0.00 -1.01 0.00 0.00 55.97 54.37 3b8h s LYS 723 Cb -0.32 0.30 -0.04 0.00 -1.01 0.00 0.00 37.83 36.76 3b8h s LYS 723 CO 0.39 -0.30 -0.23 0.96 0.51 0.00 0.00 175.35 176.68 3b8h s ILE 724 N -3.99 2.49 -0.06 2.17 -4.36 -1.26 -1.05 121.20 115.15 3b8h s ILE 724 Ca 0.18 -1.58 0.03 0.00 -0.26 0.00 0.00 60.65 59.02 3b8h s ILE 724 Cb 0.06 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.64 3b8h s ILE 724 CO -0.01 0.15 -0.14 -1.10 0.24 0.00 0.00 174.94 174.08 3b8h s GLN 725 N -1.93 2.58 0.06 0.37 -0.21 0.62 -1.28 119.66 119.86 3b8h s GLN 725 Ca 0.15 -0.68 0.04 0.00 0.02 0.00 0.00 55.36 54.89 3b8h s GLN 725 Cb -0.10 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 3b8h s GLN 725 CO 0.07 0.60 -0.04 -1.83 -2.12 0.00 0.00 175.29 171.97 3b8h s GLU 726 N -0.67 2.48 0.43 2.91 -1.05 0.07 -1.39 118.70 121.50 3b8h s GLU 726 Ca 0.10 -0.82 -0.21 0.00 -0.15 0.00 0.00 54.97 53.89 3b8h s GLU 726 Cb -0.11 -2.49 -0.11 0.00 -0.44 0.00 0.00 34.13 30.98 3b8h s GLU 726 CO 0.01 0.56 0.95 -1.25 0.95 0.00 0.00 175.26 176.48 3b8h s PRO 727 N -1.95 4.21 -0.02 -4.83 0.04 -1.26 -0.05 135.00 131.15 3b8h s PRO 727 Ca 0.22 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 3b8h s PRO 727 Cb -0.11 -2.18 0.02 0.00 0.04 0.00 0.00 34.50 32.27 3b8h s PRO 727 CO 0.13 -0.04 0.05 0.08 0.04 0.00 0.00 177.00 177.26 3b8h s VAL 728 N -2.20 -0.03 0.55 -0.36 1.01 -0.45 -2.11 120.40 116.80 3b8h s VAL 728 Ca 0.62 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.63 3b8h s VAL 728 Cb -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 3b8h s VAL 728 CO 0.14 0.05 0.91 -0.36 0.00 0.00 0.00 175.10 175.83 3b8h s PHE 729 N 0.60 3.59 -0.45 5.22 0.08 0.15 -0.53 117.98 126.63 3b8h s PHE 729 Ca -0.05 1.06 -0.05 0.00 0.12 0.00 0.00 56.93 58.01 3b8h s PHE 729 Cb -0.07 -2.52 0.12 0.00 -0.57 0.00 0.00 43.02 39.98 3b8h s PHE 729 CO -0.02 -0.47 0.28 -1.17 -0.10 0.00 0.00 175.22 173.74 3b8h s LEU 730 N -4.90 5.44 -0.51 -0.37 0.20 0.12 -0.58 118.68 118.08 3b8h s LEU 730 Ca 0.51 -2.05 -0.18 0.00 0.69 0.00 0.00 54.13 53.10 3b8h s LEU 730 Cb -0.11 -1.90 0.08 0.00 -0.43 0.00 0.00 46.19 43.83 3b8h s LEU 730 CO 0.48 -0.59 0.55 0.54 -0.29 0.00 0.00 176.35 177.04 3b8h s VAL 731 N 1.13 5.02 0.03 1.68 0.11 0.12 -2.75 120.40 125.73 3b8h s VAL 731 Ca 0.08 -0.88 -0.17 0.00 -2.93 0.00 0.00 61.98 58.08 3b8h s VAL 731 Cb -0.24 -4.28 -0.06 0.00 -1.53 0.00 0.00 36.38 30.28 3b8h s VAL 731 CO -0.03 -0.79 0.50 -0.70 -3.33 0.00 0.00 175.10 170.75 3b8h s GLU 732 N 2.19 4.10 -0.04 1.54 2.12 0.26 -1.80 118.70 127.07 3b8h s GLU 732 Ca 0.09 0.59 -0.00 0.00 0.36 0.00 0.00 54.97 56.01 3b8h s GLU 732 Cb -0.23 -3.25 0.03 0.00 0.26 0.00 0.00 34.13 30.94 3b8h s GLU 732 CO 0.08 0.61 0.00 0.42 -0.54 0.00 0.00 175.26 175.83 3b8h s ILE 733 N -0.91 0.24 -0.13 -3.70 1.01 0.67 -2.38 121.20 115.99 3b8h s ILE 733 Ca 0.27 0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.87 3b8h s ILE 733 Cb -0.18 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 3b8h s ILE 733 CO 0.16 0.19 0.40 -1.10 0.00 0.00 0.00 174.94 174.59 3b8h s GLN 734 N 1.41 4.28 -0.28 2.79 1.11 -1.04 -1.47 119.66 126.46 3b8h s GLN 734 Ca -0.04 0.30 -0.24 0.00 0.01 0.00 0.00 55.36 55.38 3b8h s GLN 734 Cb -0.13 -3.42 0.12 0.00 -1.01 0.00 0.00 33.01 28.57 3b8h s GLN 734 CO -0.03 0.22 1.01 0.00 0.01 0.00 0.00 175.29 176.51 3b8h n PRO 736 N 2.34 1.32 0.31 0.00 -0.02 -1.26 -1.50 135.00 136.19 3b8h n PRO 736 Ca -0.13 0.48 0.18 0.00 -2.02 0.00 0.00 63.50 62.01 3b8h n PRO 736 Cb 0.56 -2.18 0.97 0.00 -0.02 0.00 0.00 33.50 32.82 3b8h n PRO 736 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3b8h h GLU 737 N 1.26 0.00 -0.02 -0.52 4.81 -1.32 -0.43 114.58 118.35 3b8h h GLU 737 Ca -0.47 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.62 3b8h h GLU 737 Cb 1.34 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 3b8h h GLU 737 CO 0.55 0.00 -0.64 -0.56 -0.73 0.00 0.00 179.01 177.63 3b8h h GLN 738 N 0.00 0.09 -0.15 1.92 3.07 -1.88 -3.27 115.11 114.89 3b8h h GLN 738 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.67 3b8h h GLN 738 Cb 0.30 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.87 3b8h h GLN 738 CO 0.00 0.70 0.00 0.00 0.09 0.00 0.00 178.83 179.62 3b8h n ALA 739 N -2.44 2.31 0.24 0.06 0.00 -0.23 -4.40 120.51 116.05 3b8h n ALA 739 Ca -0.02 -0.85 0.14 0.00 0.00 0.00 0.00 53.44 52.71 3b8h n ALA 739 Cb 0.64 -0.34 0.72 0.00 0.00 0.00 0.00 19.45 20.46 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 1.74 0.00 -0.12 0.00 2.07 -1.46 -2.17 116.25 116.32 3b8h h VAL 740 Ca 0.00 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3b8h h VAL 740 Cb 0.54 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3b8h h VAL 740 CO 0.00 0.00 0.04 1.23 0.02 0.00 0.00 177.57 178.86 3b8h h GLY 741 N 0.45 0.20 0.57 2.17 0.00 -1.80 -2.80 103.07 101.85 3b8h h GLY 741 Ca 0.00 -0.12 0.18 0.00 0.00 0.00 0.00 47.33 47.39 3b8h h GLY 741 CO 0.00 0.11 0.53 -1.33 0.00 0.00 0.00 176.54 175.84 3b8h h GLY 742 N 0.00 0.52 0.21 4.60 0.00 -1.50 -2.33 103.07 104.58 3b8h h GLY 742 Ca 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3b8h h GLY 742 CO -0.00 0.02 -0.37 -2.22 0.00 0.00 0.00 176.54 173.98 3b8h h ILE 743 N 0.28 0.00 0.00 2.60 1.08 -1.57 -1.09 117.51 118.81 3b8h h ILE 743 Ca 0.38 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.85 3b8h h ILE 743 Cb 1.08 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 3b8h h ILE 743 CO -0.10 0.00 0.00 -1.22 -0.69 0.00 0.00 178.15 176.14 3b8h n TYR 744 N -4.56 0.00 0.08 1.37 4.01 -0.91 -2.20 117.16 114.94 3b8h n TYR 744 Ca -0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.47 3b8h n TYR 744 Cb 0.31 -0.08 -0.15 0.00 -0.31 0.00 0.00 39.34 39.11 3b8h n TYR 744 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3b8h h SER 745 N 0.00 0.51 0.29 7.72 0.87 -0.79 -3.33 113.55 118.82 3b8h h SER 745 Ca 0.00 -0.69 -0.06 0.00 -1.23 0.00 0.00 61.79 59.81 3b8h h SER 745 Cb 0.03 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3b8h h SER 745 CO 0.00 1.57 -1.77 0.52 -0.53 0.00 0.00 176.83 176.63 3b8h n VAL 746 N -3.52 0.42 -0.08 2.23 0.31 -1.00 -4.21 118.33 112.48 3b8h n VAL 746 Ca -0.19 -0.57 -0.03 0.00 -0.01 0.00 0.00 64.34 63.54 3b8h n VAL 746 Cb 1.06 -0.20 0.20 0.00 -0.91 0.00 0.00 33.84 33.98 3b8h n VAL 746 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3b8h h LEU 747 N 0.00 0.69 -1.23 7.52 3.38 -1.61 -2.06 115.31 122.00 3b8h h LEU 747 Ca -0.08 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3b8h h LEU 747 Cb 1.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3b8h h LEU 747 CO 0.01 0.75 0.00 0.59 0.09 0.00 0.00 178.44 179.88 3b8h n ASN 748 N -4.23 1.66 0.00 -0.43 3.02 -1.25 0.18 115.26 114.21 3b8h n ASN 748 Ca 0.02 -2.13 0.00 0.00 -0.03 0.00 0.00 54.58 52.44 3b8h n ASN 748 Cb 0.28 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 3b8h n ASN 748 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3b8h n LYS 749 N 0.10 1.18 -0.35 3.52 5.02 -0.79 -4.70 118.16 122.14 3b8h n LYS 749 Ca 0.06 -0.89 0.00 0.00 -2.02 0.00 0.00 58.31 55.46 3b8h n LYS 749 Cb 0.35 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 3b8h n LYS 749 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3b8h n LYS 750 N -0.22 0.00 -3.53 1.97 4.76 -1.13 -5.00 118.16 115.00 3b8h n LYS 750 Ca 0.00 -0.81 -0.25 0.00 -2.87 0.00 0.00 58.31 54.38 3b8h n LYS 750 Cb 0.28 -0.48 0.06 0.00 -1.84 0.00 0.00 35.03 33.06 3b8h n LYS 750 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3b8h n ARG 751 N 0.00 -6.93 -3.08 1.97 1.74 -1.13 -4.35 116.66 104.88 3b8h n ARG 751 Ca 0.00 0.80 -0.39 0.00 -0.77 0.00 0.00 57.85 57.49 3b8h n ARG 751 Cb 0.63 -5.79 -0.06 0.00 -1.02 0.00 0.00 32.46 26.23 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 -3.18 2.78 -0.22 -0.13 0.00 0.13 -4.45 107.32 102.25 3b8h s GLY 752 Ca 0.54 0.21 -0.01 0.00 0.00 0.00 0.00 44.72 45.47 3b8h s GLY 752 CO 0.67 0.82 -0.10 1.62 0.00 0.00 0.00 173.10 176.11 3b8h s GLN 753 N -0.69 3.02 -0.24 2.90 0.74 -0.48 -4.60 119.66 120.31 3b8h s GLN 753 Ca 0.34 -0.84 -0.29 0.00 0.05 0.00 0.00 55.36 54.62 3b8h s GLN 753 Cb -0.21 -2.85 -0.02 0.00 1.10 0.00 0.00 33.01 31.03 3b8h s GLN 753 CO 0.22 -0.29 1.47 0.08 -0.55 0.00 0.00 175.29 176.22 3b8h s VAL 754 N 1.35 3.91 -0.11 1.34 1.01 -1.26 0.05 120.40 126.69 3b8h s VAL 754 Ca 0.03 1.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.84 3b8h s VAL 754 Cb -0.15 -3.89 -0.17 0.00 0.00 0.00 0.00 36.38 32.17 3b8h s VAL 754 CO -0.07 -0.34 0.62 0.58 0.00 0.00 0.00 175.10 175.89 3b8h h VAL 755 N 5.99 1.16 -1.87 2.92 2.07 0.08 -3.48 116.25 123.13 3b8h h VAL 755 Ca -0.30 -1.73 0.04 0.00 0.82 0.00 0.00 66.70 65.52 3b8h h VAL 755 Cb 1.13 2.14 -0.23 0.00 -1.52 0.00 0.00 31.29 32.81 3b8h h VAL 755 CO 1.01 0.37 0.14 -0.94 0.02 0.00 0.00 177.57 178.17 3b8h s SER 756 N -5.89 -0.80 -0.19 0.57 1.04 -0.89 -5.01 113.70 102.53 3b8h s SER 756 Ca -0.13 1.31 -0.03 0.00 0.48 0.00 0.00 55.95 57.58 3b8h s SER 756 Cb -0.01 1.33 -0.01 0.00 0.10 0.00 0.00 66.02 67.42 3b8h s SER 756 CO 0.48 -0.21 -0.06 -0.70 0.98 0.00 0.00 173.24 173.73 3b8h s GLU 757 N 1.36 3.40 0.37 4.02 2.12 -1.26 -0.40 118.70 128.31 3b8h s GLU 757 Ca -0.08 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.66 3b8h s GLU 757 Cb -0.05 -2.91 -0.06 0.00 0.26 0.00 0.00 34.13 31.37 3b8h s GLU 757 CO -0.16 -0.07 0.05 -1.21 -0.54 0.00 0.00 175.26 173.33 3b8h s GLU 758 N 1.13 1.79 0.14 4.30 2.02 -1.01 -4.96 118.70 122.11 3b8h s GLU 758 Ca 0.01 -2.02 0.07 0.00 0.02 0.00 0.00 54.97 53.05 3b8h s GLU 758 Cb -0.15 -1.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.97 3b8h s GLU 758 CO -0.01 -0.20 -0.17 -1.14 0.02 0.00 0.00 175.26 173.76 3b8h s GLN 759 N -3.83 1.16 -0.03 1.61 0.74 -1.26 0.16 119.66 118.20 3b8h s GLN 759 Ca 0.33 -1.31 -0.28 0.00 0.05 0.00 0.00 55.36 54.15 3b8h s GLN 759 Cb 0.08 -1.18 -0.03 0.00 1.10 0.00 0.00 33.01 32.98 3b8h s GLN 759 CO 0.15 0.24 0.89 0.50 -0.55 0.00 0.00 175.29 176.53 3b8h s ARG 760 N -2.61 4.51 0.31 1.67 3.52 -1.01 -4.96 118.95 120.38 3b8h s ARG 760 Ca 0.12 1.24 0.03 0.00 -0.13 0.00 0.00 55.73 56.99 3b8h s ARG 760 Cb -0.06 -3.47 0.80 0.00 -1.56 0.00 0.00 34.95 30.66 3b8h s ARG 760 CO 0.05 -0.04 1.57 -1.35 -0.81 0.00 0.00 175.30 174.72 3b8h h PRO 761 N 6.83 0.01 0.00 5.12 0.11 -2.00 -3.31 132.00 138.75 3b8h h PRO 761 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3b8h h PRO 761 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3b8h h PRO 761 CO 0.76 0.00 -0.25 0.41 -0.21 0.00 0.00 178.00 178.72 3b8h n GLY 762 N -1.48 -0.46 3.77 -0.55 0.00 -1.26 -5.02 105.19 100.19 3b8h n GLY 762 Ca 0.24 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3b8h n GLY 762 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b8h s THR 763 N -1.49 3.09 0.00 2.61 -4.23 -1.25 -4.88 115.64 109.50 3b8h s THR 763 Ca -0.07 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 3b8h s THR 763 Cb 0.01 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.60 3b8h s THR 763 CO 0.11 -0.16 1.13 -2.65 -0.54 0.00 0.00 174.62 172.51 3b8h n PRO 764 N -1.44 0.62 -3.27 3.99 -0.02 -1.26 -4.17 135.00 129.45 3b8h n PRO 764 Ca 0.12 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.14 3b8h n PRO 764 Cb 0.51 -1.19 -0.03 0.00 -0.02 0.00 0.00 33.50 32.76 3b8h n PRO 764 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3b8h s LEU 765 N 0.00 6.29 1.01 2.45 2.96 -1.26 -0.75 118.68 129.38 3b8h s LEU 765 Ca 0.00 -2.20 -0.12 0.00 -0.22 0.00 0.00 54.13 51.58 3b8h s LEU 765 Cb 0.00 -2.23 0.20 0.00 0.50 0.00 0.00 46.19 44.65 3b8h s LEU 765 CO 0.00 -0.77 1.08 -0.36 -1.32 0.00 0.00 176.35 174.99 3b8h s PHE 766 N 1.11 1.99 -0.38 5.38 2.99 -0.56 -2.42 117.98 126.09 3b8h s PHE 766 Ca 0.13 1.07 0.03 0.00 0.00 0.00 0.00 56.93 58.17 3b8h s PHE 766 Cb -0.18 -3.22 0.16 0.00 0.00 0.00 0.00 43.02 39.78 3b8h s PHE 766 CO -0.03 -3.00 0.35 -0.08 -0.00 0.00 0.00 175.22 172.46 3b8h s THR 767 N -2.87 -0.14 -0.04 0.64 -1.32 0.12 -2.86 115.64 109.18 3b8h s THR 767 Ca 0.66 -1.47 -0.24 0.00 -1.21 0.00 0.00 61.69 59.43 3b8h s THR 767 Cb -0.20 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 3b8h s THR 767 CO 0.59 -0.76 0.71 -0.69 -2.21 0.00 0.00 174.62 172.25 3b8h s VAL 768 N 1.05 4.98 -0.11 5.08 1.01 -0.54 -2.39 120.40 129.48 3b8h s VAL 768 Ca 0.21 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.68 3b8h s VAL 768 Cb -0.13 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 3b8h s VAL 768 CO -0.05 0.28 -0.14 -0.54 0.00 0.00 0.00 175.10 174.65 3b8h s LYS 769 N 0.60 3.18 -0.05 2.72 1.02 0.46 -0.24 119.74 127.44 3b8h s LYS 769 Ca 0.38 -0.69 -0.18 0.00 0.02 0.00 0.00 55.97 55.49 3b8h s LYS 769 Cb -0.18 -2.56 0.04 0.00 -0.52 0.00 0.00 37.83 34.60 3b8h s LYS 769 CO 0.19 0.30 0.41 0.00 -0.92 0.00 0.00 175.35 175.33 3b8h s ALA 770 N 0.11 -1.04 0.32 5.17 0.00 -0.74 0.82 121.76 126.40 3b8h s ALA 770 Ca -0.06 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.40 3b8h s ALA 770 Cb -0.15 -0.07 -0.09 0.00 0.00 0.00 0.00 23.12 22.81 3b8h s ALA 770 CO 0.05 -0.27 0.78 0.71 0.00 0.00 0.00 175.76 177.02 3b8h s TYR 771 N -1.05 3.42 -0.11 0.00 2.02 0.11 0.13 117.35 121.87 3b8h s TYR 771 Ca -0.11 1.33 -0.03 0.00 -0.37 0.00 0.00 57.07 57.89 3b8h s TYR 771 Cb -0.04 -2.62 0.05 0.00 -0.40 0.00 0.00 41.96 38.96 3b8h s TYR 771 CO 0.05 0.11 0.12 -1.17 -1.57 0.00 0.00 175.55 173.08 3b8h s LEU 772 N -2.80 0.10 0.22 -1.29 2.96 0.26 -1.39 118.68 116.74 3b8h s LEU 772 Ca 0.53 -0.08 -0.31 0.00 -0.22 0.00 0.00 54.13 54.05 3b8h s LEU 772 Cb -0.11 0.02 -0.14 0.00 0.50 0.00 0.00 46.19 46.45 3b8h s LEU 772 CO 0.18 -0.29 1.28 -2.65 -1.32 0.00 0.00 176.35 173.55 3b8h n PRO 773 N 5.30 1.67 -0.01 0.98 -0.02 -1.26 0.31 135.00 141.97 3b8h n PRO 773 Ca -0.05 0.59 -0.06 0.00 -2.02 0.00 0.00 63.50 61.97 3b8h n PRO 773 Cb 0.50 -2.17 0.14 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.81 1.28 0.00 -1.45 2.07 -1.78 -2.48 116.25 116.70 3b8h h VAL 774 Ca -0.44 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.67 3b8h h VAL 774 Cb 1.31 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 3b8h h VAL 774 CO 0.72 0.45 0.00 -0.46 0.02 0.00 0.00 177.57 178.30 3b8h n ASN 775 N -4.08 0.16 -0.48 0.57 6.94 -1.26 -2.24 115.26 114.87 3b8h n ASN 775 Ca -0.01 -1.47 0.00 0.00 -0.02 0.00 0.00 54.58 53.08 3b8h n ASN 775 Cb 0.46 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 3b8h n ASN 775 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3b8h n GLU 776 N -0.36 0.02 -0.01 -3.83 1.02 -0.94 -4.80 120.64 111.74 3b8h n GLU 776 Ca 0.00 -1.01 0.08 0.00 -0.02 0.00 0.00 57.16 56.21 3b8h n GLU 776 Cb 0.04 -0.52 0.07 0.00 -0.02 0.00 0.00 31.44 31.02 3b8h n GLU 776 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3b8h n SER 777 N -0.02 2.42 -4.59 1.62 3.41 -0.95 -4.82 113.62 110.68 3b8h n SER 777 Ca 0.00 -1.71 -0.42 0.00 -0.26 0.00 0.00 58.87 56.49 3b8h n SER 777 Cb 0.69 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.38 1.30 -0.49 7.33 0.08 -1.26 -0.90 117.98 122.66 3b8h s PHE 778 Ca 0.20 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.93 3b8h s PHE 778 Cb 0.14 -3.93 0.00 0.00 -0.57 0.00 0.00 43.02 38.66 3b8h s PHE 778 CO 0.21 -3.63 0.00 0.41 -0.10 0.00 0.00 175.22 172.11 3b8h n GLY 779 N 5.72 0.44 0.40 4.36 0.00 -1.26 -4.96 105.19 109.89 3b8h n GLY 779 Ca 0.29 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.06 -0.99 1.61 3.57 -1.34 -2.42 116.94 116.30 3b8h h PHE 780 Ca -0.11 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.52 3b8h h PHE 780 Cb 0.75 0.42 -0.08 0.00 2.79 0.00 0.00 35.95 39.83 3b8h h PHE 780 CO 0.14 -0.53 0.63 1.15 -2.23 0.00 0.00 178.31 177.47 3b8h h THR 781 N -0.76 0.91 -0.99 4.41 2.02 -1.93 -0.43 112.91 116.13 3b8h h THR 781 Ca -0.02 -0.33 0.23 0.00 0.77 0.00 0.00 66.41 67.06 3b8h h THR 781 Cb 0.70 -0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 66.88 3b8h h THR 781 CO -0.10 0.17 0.63 1.23 0.37 0.00 0.00 175.52 177.83 3b8h h GLY 782 N 0.96 1.29 1.14 2.16 0.00 -1.84 0.18 103.07 106.96 3b8h h GLY 782 Ca 0.49 -0.25 -0.29 0.00 0.00 0.00 0.00 47.33 47.29 3b8h h GLY 782 CO -0.26 -0.08 -1.60 0.83 0.00 0.00 0.00 176.54 175.42 3b8h h GLU 783 N 0.51 0.08 0.00 4.80 5.08 -1.00 -3.30 114.58 120.74 3b8h h GLU 783 Ca 0.56 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3b8h h GLU 783 Cb 1.23 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3b8h h GLU 783 CO -0.29 0.77 0.00 1.25 -1.00 0.00 0.00 179.01 179.74 3b8h h LEU 784 N 0.02 0.00 0.07 1.33 5.85 0.17 -3.05 115.31 119.71 3b8h h LEU 784 Ca -0.25 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 3b8h h LEU 784 Cb 1.98 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.01 3b8h h LEU 784 CO 0.10 0.00 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.08 3b8h h ARG 785 N 0.00 -0.09 -1.12 1.25 9.65 -0.78 -3.30 114.38 119.98 3b8h h ARG 785 Ca 0.00 0.01 -0.41 0.00 -1.10 0.00 0.00 59.98 58.47 3b8h h ARG 785 Cb 0.35 0.02 -0.21 0.00 -1.39 0.00 0.00 29.97 28.74 3b8h h ARG 785 CO 0.00 0.46 0.53 1.04 2.80 0.00 0.00 179.97 184.79 3b8h n GLN 786 N -4.80 2.01 0.00 0.20 3.00 -1.20 -2.33 117.38 114.25 3b8h n GLN 786 Ca -0.07 -2.20 0.00 0.00 -0.01 0.00 0.00 57.00 54.72 3b8h n GLN 786 Cb 0.29 -1.86 0.00 0.00 0.00 0.00 0.00 30.24 28.67 3b8h n GLN 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3b8h n ALA 787 N -0.48 1.52 -0.08 -1.58 0.00 -1.16 -4.75 120.51 113.99 3b8h n ALA 787 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3b8h n ALA 787 Cb 1.04 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.52 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 -1.19 0.00 0.00 0.00 -2.24 -1.24 -3.87 114.28 105.73 3b8h n THR 788 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3b8h n THR 788 Cb 0.06 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 0.19 0.83 0.00 3.38 0.00 -1.19 -3.92 105.19 104.49 3b8h n GLY 789 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 1.04 0.05 -0.02 0.00 -0.99 -4.96 105.19 98.32 3b8h n GLY 790 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.85 0.23 -3.17 1.61 6.02 -1.25 -4.88 117.38 114.09 3b8h n GLN 791 Ca 0.00 0.07 -0.39 0.00 -0.01 0.00 0.00 57.00 56.67 3b8h n GLN 791 Cb 0.00 -1.65 -0.06 0.00 1.02 0.00 0.00 30.24 29.55 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 -3.13 3.50 -0.41 -1.58 0.00 -1.26 -4.46 121.76 114.41 3b8h s ALA 792 Ca 0.07 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.06 3b8h s ALA 792 Cb 0.14 -2.77 0.08 0.00 0.00 0.00 0.00 23.12 20.58 3b8h s ALA 792 CO 0.71 0.25 0.23 0.12 0.00 0.00 0.00 175.76 177.07 3b8h s PHE 793 N -0.59 3.38 0.97 0.00 5.36 0.16 -4.97 117.98 122.28 3b8h s PHE 793 Ca 0.32 -1.71 -0.11 0.00 -0.96 0.00 0.00 56.93 54.47 3b8h s PHE 793 Cb -0.20 -2.96 0.17 0.00 -0.34 0.00 0.00 43.02 39.70 3b8h s PHE 793 CO 0.20 -0.87 1.09 -2.14 -1.46 0.00 0.00 175.22 172.04 3b8h s PRO 794 N 1.36 0.64 0.00 10.12 0.02 -1.26 -2.50 135.00 143.38 3b8h s PRO 794 Ca 0.03 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.15 3b8h s PRO 794 Cb -0.23 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3b8h s PRO 794 CO 0.01 -2.75 0.00 0.94 -0.33 0.00 0.00 177.00 174.87 3b8h n GLN 795 N -4.27 0.00 -3.84 5.54 7.27 -1.00 -4.92 117.38 116.16 3b8h n GLN 795 Ca 0.08 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.02 3b8h n GLN 795 Cb 0.54 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 33.06 3b8h n GLN 795 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3b8h s MET 796 N 0.00 0.14 0.13 3.69 0.23 -1.26 0.89 119.30 123.12 3b8h s MET 796 Ca 0.00 0.09 0.05 0.00 -1.03 0.00 0.00 55.69 54.80 3b8h s MET 796 Cb 0.00 0.06 -0.04 0.00 -1.53 0.00 0.00 34.83 33.32 3b8h s MET 796 CO 0.00 -0.02 -0.11 0.54 -2.03 0.00 0.00 175.02 173.40 3b8h s VAL 797 N -0.05 1.18 0.11 5.16 0.11 -1.11 -4.89 120.40 120.91 3b8h s VAL 797 Ca -0.01 -1.86 -0.33 0.00 -2.93 0.00 0.00 61.98 56.85 3b8h s VAL 797 Cb -0.01 -1.64 -0.12 0.00 -1.53 0.00 0.00 36.38 33.08 3b8h s VAL 797 CO 0.00 -0.60 1.75 0.33 -3.33 0.00 0.00 175.10 173.25 3b8h n PHE 798 N 0.20 2.48 -0.05 1.54 7.35 -1.26 0.16 117.46 127.87 3b8h n PHE 798 Ca -0.13 0.03 -0.07 0.00 -0.76 0.00 0.00 57.45 56.52 3b8h n PHE 798 Cb 0.59 -2.65 -0.02 0.00 0.35 0.00 0.00 39.48 37.74 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 4.88 1.71 -2.90 -2.13 4.64 0.31 -4.78 116.55 118.27 3b8h n ASP 799 Ca 0.18 0.28 -0.08 0.00 -1.38 0.00 0.00 54.79 53.79 3b8h n ASP 799 Cb 0.33 -0.63 0.03 0.00 -1.04 0.00 0.00 41.12 39.80 3b8h n ASP 799 CO 0.00 0.00 0.00 -1.38 -0.82 0.00 0.00 177.20 175.00 3b8h s HIS 800 N -2.65 0.14 -0.05 -0.67 -3.43 -1.09 -5.02 115.29 102.51 3b8h s HIS 800 Ca -0.21 -0.80 -0.00 0.00 -0.80 0.00 0.00 55.06 53.24 3b8h s HIS 800 Cb 0.03 0.84 -0.03 0.00 -1.43 0.00 0.00 32.58 31.98 3b8h s HIS 800 CO 0.31 -1.53 0.00 -1.58 -2.00 0.00 0.00 174.74 169.94 3b8h s TRP 801 N -2.17 3.12 -0.17 0.38 0.52 -1.26 -1.34 118.94 118.02 3b8h s TRP 801 Ca 0.16 0.14 0.01 0.00 0.02 0.00 0.00 56.10 56.44 3b8h s TRP 801 Cb -0.05 -1.74 0.02 0.00 -1.15 0.00 0.00 33.47 30.56 3b8h s TRP 801 CO 0.11 0.46 -0.18 0.45 0.02 0.00 0.00 176.95 177.81 3b8h s SER 802 N -1.17 2.98 -0.17 2.95 0.15 0.93 -4.92 113.70 114.45 3b8h s SER 802 Ca 0.16 -0.59 -0.29 0.00 0.70 0.00 0.00 55.95 55.92 3b8h s SER 802 Cb -0.11 -1.38 -0.02 0.00 -1.71 0.00 0.00 66.02 62.80 3b8h s SER 802 CO 0.06 -0.01 1.34 -0.89 1.20 0.00 0.00 173.24 174.93 3b8h s THR 803 N 1.33 4.14 0.13 6.45 2.01 -1.26 -0.75 115.64 127.69 3b8h s THR 803 Ca 0.04 1.36 -0.31 0.00 0.31 0.00 0.00 61.69 63.10 3b8h s THR 803 Cb -0.13 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 68.38 3b8h s THR 803 CO -0.12 -0.18 1.31 -0.76 -0.69 0.00 0.00 174.62 174.19 3b8h s LEU 804 N 3.77 4.39 0.23 4.42 1.43 -0.40 -4.94 118.68 127.58 3b8h s LEU 804 Ca 0.58 2.27 0.05 0.00 -1.03 0.00 0.00 54.13 56.01 3b8h s LEU 804 Cb -0.23 -3.59 0.21 0.00 0.03 0.00 0.00 46.19 42.61 3b8h s LEU 804 CO 0.18 -0.55 1.53 1.23 0.23 0.00 0.00 176.35 178.97 3b8h h GLY 805 N 6.25 0.20 -1.44 -3.19 0.00 -1.94 -3.41 103.07 99.54 3b8h h GLY 805 Ca -0.43 -0.27 -0.52 0.00 0.00 0.00 0.00 47.33 46.11 3b8h h GLY 805 CO 0.82 0.24 0.31 -1.35 0.00 0.00 0.00 176.54 176.55 3b8h s SER 806 N -6.89 3.92 -0.38 0.19 1.04 -1.26 -4.95 113.70 105.36 3b8h s SER 806 Ca -0.03 2.09 -0.28 0.00 0.48 0.00 0.00 55.95 58.21 3b8h s SER 806 Cb 0.12 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.70 3b8h s SER 806 CO 0.80 -2.44 1.06 -0.62 0.98 0.00 0.00 173.24 173.02 3b8h s ASP 807 N -2.74 6.77 0.29 7.02 3.68 -1.26 -4.73 116.67 125.70 3b8h s ASP 807 Ca 0.67 0.74 0.24 0.00 2.13 0.00 0.00 52.55 56.33 3b8h s ASP 807 Cb -0.22 -2.53 1.05 0.00 -1.45 0.00 0.00 42.92 39.78 3b8h s ASP 807 CO 0.53 -1.00 1.72 1.55 0.13 0.00 0.00 175.17 178.10 3b8h h PRO 808 N 8.56 0.00 0.00 4.34 0.13 -1.87 -1.96 132.00 141.20 3b8h h PRO 808 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3b8h h PRO 808 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3b8h h PRO 808 CO 1.05 0.00 -0.29 -0.07 -0.23 0.00 0.00 178.00 178.47 3b8h h LEU 809 N 0.00 0.00 -8.63 1.56 3.38 -1.91 -3.37 115.31 106.35 3b8h h LEU 809 Ca 0.00 -0.04 -0.67 0.00 0.09 0.00 0.00 57.88 57.26 3b8h h LEU 809 Cb 0.30 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.88 3b8h h LEU 809 CO 0.00 0.02 -0.09 -0.62 0.09 0.00 0.00 178.44 177.84 3b8h s ASP 810 N -5.25 6.26 0.60 -0.43 2.15 -0.74 -4.88 116.67 114.37 3b8h s ASP 810 Ca 0.07 -0.38 0.31 0.00 0.43 0.00 0.00 52.55 52.97 3b8h s ASP 810 Cb 0.09 -2.26 1.80 0.00 -0.30 0.00 0.00 42.92 42.26 3b8h s ASP 810 CO 0.68 -0.58 2.18 -0.65 -0.17 0.00 0.00 175.17 176.63 3b8h h PRO 811 N 8.67 0.00 0.00 4.34 0.11 -1.83 -1.68 132.00 141.61 3b8h h PRO 811 Ca -0.27 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3b8h h PRO 811 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3b8h h PRO 811 CO 0.80 0.00 -0.34 1.79 -0.21 0.00 0.00 178.00 180.05 3b8h h THR 812 N 0.00 0.20 -3.72 -1.15 1.35 -1.92 -2.95 112.91 104.71 3b8h h THR 812 Ca 0.04 -1.29 -0.44 0.00 -0.55 0.00 0.00 66.41 64.17 3b8h h THR 812 Cb 0.27 2.00 0.17 0.00 -1.73 0.00 0.00 68.15 68.86 3b8h h THR 812 CO -0.00 0.11 0.16 -0.94 -0.25 0.00 0.00 175.52 174.60 3b8h s SER 813 N -6.10 1.98 0.18 5.36 1.04 -0.63 -4.80 113.70 110.72 3b8h s SER 813 Ca 0.05 1.03 -0.08 0.00 0.48 0.00 0.00 55.95 57.42 3b8h s SER 813 Cb 0.06 -1.59 0.07 0.00 0.10 0.00 0.00 66.02 64.66 3b8h s SER 813 CO 0.71 -3.51 1.60 0.50 0.98 0.00 0.00 173.24 173.51 3b8h h LYS 814 N -2.16 0.98 0.10 4.02 3.64 -1.89 -2.30 116.57 118.97 3b8h h LYS 814 Ca -0.53 -0.38 -0.26 0.00 -1.27 0.00 0.00 60.65 58.22 3b8h h LYS 814 Cb 1.32 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3b8h h LYS 814 CO 0.51 1.05 -1.16 0.00 -2.27 0.00 0.00 179.45 177.58 3b8h h ALA 815 N 0.95 0.17 -0.91 5.00 0.00 -1.85 -3.31 119.26 119.33 3b8h h ALA 815 Ca 0.13 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3b8h h ALA 815 Cb 0.71 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3b8h h ALA 815 CO 0.05 0.96 0.52 0.78 0.00 0.00 0.00 179.25 181.57 3b8h h GLY 816 N 1.64 1.34 1.45 0.00 0.00 -1.57 -1.86 103.07 104.07 3b8h h GLY 816 Ca -0.11 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.55 3b8h h GLY 816 CO 0.19 0.57 -0.08 1.05 0.00 0.00 0.00 176.54 178.27 3b8h h GLU 817 N 1.26 0.67 -0.67 4.80 4.11 -1.23 0.11 114.58 123.63 3b8h h GLU 817 Ca 0.32 -0.19 -0.06 0.00 0.07 0.00 0.00 59.36 59.50 3b8h h GLU 817 Cb -0.01 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3b8h h GLU 817 CO -0.06 0.74 0.18 0.82 0.07 0.00 0.00 179.01 180.76 3b8h h ILE 818 N 0.62 1.26 0.20 -1.06 2.04 -1.53 -1.61 117.51 117.42 3b8h h ILE 818 Ca 0.11 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3b8h h ILE 818 Cb 0.50 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3b8h h ILE 818 CO 0.03 0.35 -0.09 0.58 0.00 0.00 0.00 178.15 179.02 3b8h h VAL 819 N 0.99 0.89 -0.14 1.67 2.07 -0.83 -2.19 116.25 118.72 3b8h h VAL 819 Ca 0.21 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.25 3b8h h VAL 819 Cb 0.34 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 3b8h h VAL 819 CO -0.00 0.12 -0.31 0.25 0.02 0.00 0.00 177.57 177.65 3b8h h LEU 820 N -0.53 -0.97 -0.74 2.57 5.85 -0.74 0.25 115.31 121.01 3b8h h LEU 820 Ca -0.03 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3b8h h LEU 820 Cb 0.40 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 3b8h h LEU 820 CO 0.04 -0.35 0.44 0.00 -0.34 0.00 0.00 178.44 178.23 3b8h h ALA 821 N 0.45 0.99 -0.24 1.25 0.00 -1.35 -1.39 119.26 118.99 3b8h h ALA 821 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3b8h h ALA 821 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3b8h h ALA 821 CO -0.35 0.15 -0.35 0.00 0.00 0.00 0.00 179.25 178.70 3b8h h ALA 822 N 1.36 0.95 -0.20 0.00 0.00 -0.69 -1.51 119.26 119.17 3b8h h ALA 822 Ca 0.32 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3b8h h ALA 822 Cb 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3b8h h ALA 822 CO -0.17 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.56 3b8h h ARG 823 N 0.44 0.44 -0.84 0.00 3.08 -0.02 -2.59 114.38 114.89 3b8h h ARG 823 Ca 0.05 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3b8h h ARG 823 Cb 0.81 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.82 3b8h h ARG 823 CO 0.07 0.76 0.39 0.87 -1.07 0.00 0.00 179.97 180.99 3b8h h LYS 824 N 0.12 1.21 -0.77 0.04 1.57 -1.22 -0.63 116.57 116.89 3b8h h LYS 824 Ca 0.04 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3b8h h LYS 824 Cb 0.65 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 3b8h h LYS 824 CO 0.04 0.94 0.50 -0.09 -0.57 0.00 0.00 179.45 180.27 3b8h h ARG 825 N 1.20 0.87 -0.00 3.15 2.43 -1.18 -1.51 114.38 119.33 3b8h h ARG 825 Ca 0.29 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3b8h h ARG 825 Cb 0.13 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3b8h h ARG 825 CO -0.03 0.58 -0.37 0.72 -1.51 0.00 0.00 179.97 179.36 3b8h n HIS 826 N -4.46 0.00 -2.38 2.20 8.25 -0.99 -4.95 115.22 112.89 3b8h n HIS 826 Ca 0.10 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.53 3b8h n HIS 826 Cb 0.15 -0.28 0.02 0.00 1.12 0.00 0.00 29.99 30.99 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 1.48 0.41 3.76 -1.41 0.00 -0.57 -5.08 105.19 103.77 3b8h n GLY 827 Ca 0.07 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.53 2.34 0.31 1.61 -1.94 -0.33 -5.03 119.30 111.75 3b8h s MET 828 Ca 0.03 -1.66 -0.29 0.00 -1.71 0.00 0.00 55.69 52.06 3b8h s MET 828 Cb -0.01 -2.14 -0.13 0.00 2.01 0.00 0.00 34.83 34.56 3b8h s MET 828 CO 0.13 -0.03 1.32 1.63 -0.01 0.00 0.00 175.02 178.06 3b8h n LYS 829 N -1.25 2.10 -0.15 2.03 4.76 -1.26 -4.47 118.16 119.91 3b8h n LYS 829 Ca -0.01 0.74 0.06 0.00 -2.87 0.00 0.00 58.31 56.22 3b8h n LYS 829 Cb 0.63 -2.34 0.36 0.00 -1.84 0.00 0.00 35.03 31.84 3b8h n LYS 829 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3b8h h GLU 830 N 3.01 0.72 -5.96 1.97 5.08 -1.94 -3.42 114.58 114.03 3b8h h GLU 830 Ca -0.46 -0.04 -0.57 0.00 -1.00 0.00 0.00 59.36 57.29 3b8h h GLU 830 Cb 1.28 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 3b8h h GLU 830 CO 0.66 0.47 -0.02 -1.21 -1.00 0.00 0.00 179.01 177.92 3b8h s GLU 831 N -5.65 4.37 -0.08 2.33 8.01 -1.26 -4.80 118.70 121.62 3b8h s GLU 831 Ca -0.10 0.70 -0.30 0.00 0.01 0.00 0.00 54.97 55.29 3b8h s GLU 831 Cb 0.19 -3.41 -0.05 0.00 -4.31 0.00 0.00 34.13 26.55 3b8h s GLU 831 CO 0.77 0.20 1.60 0.08 0.01 0.00 0.00 175.26 177.91 3b8h s VAL 832 N 0.41 3.69 0.18 2.63 1.01 -1.26 -4.94 120.40 122.11 3b8h s VAL 832 Ca 0.32 0.83 -0.33 0.00 0.00 0.00 0.00 61.98 62.79 3b8h s VAL 832 Cb -0.17 -3.54 -0.14 0.00 0.00 0.00 0.00 36.38 32.53 3b8h s VAL 832 CO 0.15 -0.08 1.51 -2.65 0.00 0.00 0.00 175.10 174.04 3b8h n PRO 833 N 7.07 2.05 -1.15 2.72 -0.02 -1.26 -4.96 135.00 139.45 3b8h n PRO 833 Ca 0.17 0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 62.10 3b8h n PRO 833 Cb 0.43 -2.46 0.18 0.00 -0.02 0.00 0.00 33.50 31.62 3b8h n PRO 833 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3b8h s GLY 834 N 0.70 1.57 0.47 -1.23 0.00 -1.26 -4.92 107.32 102.65 3b8h s GLY 834 Ca 0.76 -0.33 0.15 0.00 0.00 0.00 0.00 44.72 45.30 3b8h s GLY 834 CO 0.42 0.28 2.04 0.11 0.00 0.00 0.00 173.10 175.95 3b8h h TRP 835 N -1.90 0.01 0.00 1.90 5.08 -1.90 -2.26 115.95 116.88 3b8h h TRP 835 Ca -0.54 -0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.42 3b8h h TRP 835 Cb 1.33 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.48 3b8h h TRP 835 CO 0.30 0.13 -0.01 1.96 -1.28 0.00 0.00 178.44 179.54 3b8h h GLN 836 N 0.01 0.00 0.00 0.12 7.50 -1.91 0.25 115.11 121.07 3b8h h GLN 836 Ca 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 3b8h h GLN 836 Cb 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.75 3b8h h GLN 836 CO 0.02 0.01 -0.08 1.49 -1.50 0.00 0.00 178.83 178.76 3b8h h GLU 837 N 0.00 0.00 0.00 1.46 4.81 -1.76 -3.20 114.58 115.89 3b8h h GLU 837 Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 3b8h h GLU 837 Cb 0.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3b8h h GLU 837 CO 0.00 0.08 -1.77 0.66 -0.73 0.00 0.00 179.01 177.25 3b8h n TYR 838 N -3.18 0.00 -1.86 0.92 4.02 -0.54 -4.97 117.16 111.55 3b8h n TYR 838 Ca 0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.54 3b8h n TYR 838 Cb 0.40 -0.50 0.05 0.00 -0.02 0.00 0.00 39.34 39.28 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 -2.58 2.24 0.39 -0.72 5.04 -0.04 -4.53 117.35 117.17 3b8h s TYR 839 Ca -0.06 1.51 -0.24 0.00 -2.44 0.00 0.00 57.07 55.84 3b8h s TYR 839 Cb 0.06 -3.56 -0.12 0.00 0.35 0.00 0.00 41.96 38.68 3b8h s TYR 839 CO 0.54 -2.52 0.70 -3.47 -1.34 0.00 0.00 175.55 169.46 3b8h n ASP 840 N -1.81 -0.17 -4.49 4.32 4.64 0.34 -4.84 116.55 114.54 3b8h n ASP 840 Ca 0.14 0.98 -0.42 0.00 -1.38 0.00 0.00 54.79 54.11 3b8h n ASP 840 Cb 0.49 -1.18 -0.03 0.00 -1.04 0.00 0.00 41.12 39.36 3b8h n ASP 840 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3b8h s LYS 841 N -1.65 3.21 0.00 -0.67 2.47 -1.26 -5.04 119.74 116.80 3b8h s LYS 841 Ca 0.63 -0.72 0.00 0.00 -1.56 0.00 0.00 55.97 54.31 3b8h s LYS 841 Cb -0.62 -4.36 0.00 0.00 -1.46 0.00 0.00 37.83 31.39 3b8h s LYS 841 CO 0.58 -1.96 0.00 1.47 0.16 0.00 0.00 175.35 175.60