#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h s PHE 4 N 0.00 2.13 0.66 0.00 0.08 0.11 -4.69 117.98 116.27 1s1h s PHE 4 Ca 0.00 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.56 1s1h s PHE 4 Cb 0.00 -1.15 0.01 0.00 -0.57 0.00 0.00 43.02 41.32 1s1h s PHE 4 CO 0.00 0.31 1.02 0.95 -0.10 0.00 0.00 175.22 177.41 1s1h s THR 5 N -1.18 3.54 0.30 0.64 -4.23 -1.26 -0.30 115.64 113.16 1s1h s THR 5 Ca 0.12 0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 60.92 1s1h s THR 5 Cb -0.10 -3.47 0.26 0.00 1.34 0.00 0.00 72.50 70.53 1s1h s THR 5 CO 0.06 -0.57 1.97 0.58 -0.54 0.00 0.00 174.62 176.12 1s1h h VAL 6 N -0.48 1.21 -0.79 2.29 2.07 -1.99 -0.63 116.25 117.93 1s1h h VAL 6 Ca -0.45 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1s1h h VAL 6 Cb 1.25 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1s1h h VAL 6 CO 0.63 0.20 0.39 0.44 0.02 0.00 0.00 177.57 179.25 1s1h h ASP 7 N 1.08 1.03 -0.62 0.57 3.32 -1.98 0.28 116.42 120.10 1s1h h ASP 7 Ca 0.29 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1s1h h ASP 7 Cb -0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.15 1s1h h ASP 7 CO -0.06 0.87 0.12 1.56 -1.72 0.00 0.00 179.24 180.00 1s1h h GLN 8 N 1.12 1.02 0.11 3.56 4.20 -1.69 -0.00 115.11 123.42 1s1h h GLN 8 Ca 0.27 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1s1h h GLN 8 Cb 0.10 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1s1h h GLN 8 CO -0.04 0.94 -0.05 0.52 -0.67 0.00 0.00 178.83 179.53 1s1h h MET 9 N 0.93 -0.14 -0.91 1.46 2.86 -0.56 -1.31 114.93 117.26 1s1h h MET 9 Ca 0.19 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.95 1s1h h MET 9 Cb 0.41 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.03 1s1h h MET 9 CO 0.01 0.06 0.59 -0.09 1.06 0.00 0.00 176.91 178.54 1s1h h ARG 10 N -0.32 0.85 -0.45 1.72 9.65 -0.28 0.13 114.38 125.68 1s1h h ARG 10 Ca -0.01 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.76 1s1h h ARG 10 Cb 0.26 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 1s1h h ARG 10 CO 0.02 0.56 0.09 1.03 2.80 0.00 0.00 179.97 184.47 1s1h h SER 11 N 0.87 0.71 -0.75 -3.80 0.87 -0.73 -2.24 113.55 108.48 1s1h h SER 11 Ca 0.43 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1s1h h SER 11 Cb 0.47 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1s1h h SER 11 CO -0.19 0.77 0.36 -0.07 -0.53 0.00 0.00 176.83 177.17 1s1h h LEU 12 N 0.61 0.99 -1.73 2.23 4.07 0.05 -2.44 115.31 119.09 1s1h h LEU 12 Ca 0.14 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1s1h h LEU 12 Cb 0.36 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1s1h h LEU 12 CO 0.01 0.85 0.00 0.24 -1.08 0.00 0.00 178.44 178.46 1s1h h MET 13 N 1.06 0.00 -0.07 1.13 2.86 -0.43 -2.86 114.93 116.62 1s1h h MET 13 Ca 0.26 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.72 1s1h h MET 13 Cb 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1s1h h MET 13 CO -0.03 0.00 -0.72 -0.44 1.06 0.00 0.00 176.91 176.78 1s1h h ASP 14 N 0.00 0.43 -1.82 1.22 3.32 -0.90 -3.36 116.42 115.31 1s1h h ASP 14 Ca 0.00 -0.28 -0.76 0.00 0.02 0.00 0.00 57.03 56.01 1s1h h ASP 14 Cb 0.29 -0.13 -0.18 0.00 0.22 0.00 0.00 39.33 39.53 1s1h h ASP 14 CO 0.00 1.01 1.67 0.29 -1.72 0.00 0.00 179.24 180.49 1s1h n LYS 15 N -3.83 3.67 0.17 3.56 5.02 -1.08 -4.79 118.16 120.89 1s1h n LYS 15 Ca -0.04 -3.76 0.12 0.00 -2.02 0.00 0.00 58.31 52.61 1s1h n LYS 15 Cb 0.70 -2.88 0.62 0.00 -0.02 0.00 0.00 35.03 33.45 1s1h n LYS 15 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1s1h h VAL 16 N 3.89 0.00 0.00 -0.18 -1.51 -1.80 0.22 116.25 116.88 1s1h h VAL 16 Ca 0.35 -0.06 -0.05 0.00 -1.23 0.00 0.00 66.70 65.70 1s1h h VAL 16 Cb 0.69 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 1s1h h VAL 16 CO 1.48 0.00 -0.25 0.71 -1.23 0.00 0.00 177.57 178.28 1s1h h THR 17 N 0.00 0.76 -0.77 7.19 1.35 -1.86 -2.70 112.91 116.88 1s1h h THR 17 Ca 0.00 -1.05 -0.38 0.00 -0.55 0.00 0.00 66.41 64.43 1s1h h THR 17 Cb 0.09 1.65 -0.22 0.00 -1.73 0.00 0.00 68.15 67.93 1s1h h THR 17 CO 0.00 0.25 0.39 0.59 -0.25 0.00 0.00 175.52 176.50 1s1h n ASN 18 N -3.63 3.54 -4.58 5.36 5.03 0.78 -4.74 115.26 117.02 1s1h n ASN 18 Ca -0.01 -3.60 -0.30 0.00 0.87 0.00 0.00 54.58 51.55 1s1h n ASN 18 Cb 0.38 -0.77 -0.10 0.00 -1.02 0.00 0.00 39.78 38.28 1s1h n ASN 18 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1s1h s VAL 19 N -3.24 3.42 -0.23 2.41 1.01 -1.02 -1.36 120.40 121.40 1s1h s VAL 19 Ca 0.53 -1.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1s1h s VAL 19 Cb 0.45 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 34.31 1s1h s VAL 19 CO 0.08 0.12 0.07 -0.13 0.00 0.00 0.00 175.10 175.24 1s1h s ARG 20 N -2.18 0.52 -0.32 2.72 1.81 -0.15 -4.01 118.95 117.33 1s1h s ARG 20 Ca 0.21 -0.51 -0.16 0.00 -1.72 0.00 0.00 55.73 53.55 1s1h s ARG 20 Cb -0.11 -1.91 -0.02 0.00 -0.45 0.00 0.00 34.95 32.46 1s1h s ARG 20 CO 0.14 -0.76 0.41 -0.80 -0.68 0.00 0.00 175.30 173.61 1s1h s ASN 21 N 1.89 6.25 0.37 0.23 0.01 -1.26 -0.33 114.94 122.09 1s1h s ASN 21 Ca 0.03 -0.02 -0.07 0.00 -0.71 0.00 0.00 52.86 52.09 1s1h s ASN 21 Cb -0.17 -2.22 0.03 0.00 0.41 0.00 0.00 41.25 39.29 1s1h s ASN 21 CO -0.15 -0.34 0.61 0.00 -1.51 0.00 0.00 177.10 175.70 1s1h s MET 22 N 2.15 2.10 0.27 -0.60 0.23 -0.56 -1.08 119.30 121.82 1s1h s MET 22 Ca 0.15 -1.68 -0.07 0.00 -1.03 0.00 0.00 55.69 53.05 1s1h s MET 22 Cb -0.16 0.52 -0.01 0.00 -1.53 0.00 0.00 34.83 33.65 1s1h s MET 22 CO 0.12 -0.92 0.42 -1.54 -2.03 0.00 0.00 175.02 171.06 1s1h s SER 23 N -3.19 0.27 -0.21 -1.18 1.04 -1.10 -0.43 113.70 108.90 1s1h s SER 23 Ca 0.25 -1.19 -0.05 0.00 0.48 0.00 0.00 55.95 55.44 1s1h s SER 23 Cb -0.02 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 1s1h s SER 23 CO 0.18 -1.14 -0.01 -0.69 0.98 0.00 0.00 173.24 172.56 1s1h s VAL 24 N -3.72 3.81 -0.46 5.02 1.01 -1.26 -1.26 120.40 123.54 1s1h s VAL 24 Ca 0.28 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 1s1h s VAL 24 Cb 0.01 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.72 1s1h s VAL 24 CO 0.13 0.42 0.37 -0.63 0.00 0.00 0.00 175.10 175.39 1s1h s ILE 25 N 1.21 5.20 -0.15 2.22 1.01 -0.29 -4.81 121.20 125.59 1s1h s ILE 25 Ca 0.03 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 1s1h s ILE 25 Cb -0.15 -4.06 0.10 0.00 0.01 0.00 0.00 42.46 38.36 1s1h s ILE 25 CO 0.01 -0.51 0.86 0.00 0.00 0.00 0.00 174.94 175.30 1s1h s ALA 26 N 1.64 -1.87 0.18 9.38 0.00 -1.26 -1.43 121.76 128.41 1s1h s ALA 26 Ca 0.04 1.59 -0.30 0.00 0.00 0.00 0.00 51.96 53.29 1s1h s ALA 26 Cb -0.23 -0.63 -0.08 0.00 0.00 0.00 0.00 23.12 22.18 1s1h s ALA 26 CO 0.07 -0.32 1.06 -1.58 0.00 0.00 0.00 175.76 174.99 1s1h s HIS 27 N -0.76 3.66 0.46 0.00 2.46 -1.26 -4.86 115.29 114.98 1s1h s HIS 27 Ca -0.04 1.67 0.28 0.00 0.47 0.00 0.00 55.06 57.44 1s1h s HIS 27 Cb -0.01 -3.21 1.34 0.00 -0.13 0.00 0.00 32.58 30.56 1s1h s HIS 27 CO 0.03 -0.38 1.74 -0.39 -2.47 0.00 0.00 174.74 173.28 1s1h h VAL 28 N 3.65 0.38 -0.00 0.89 -1.51 -1.99 0.43 116.25 118.09 1s1h h VAL 28 Ca -0.44 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1s1h h VAL 28 Cb 1.21 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1s1h h VAL 28 CO 0.71 0.03 -0.00 0.47 -1.23 0.00 0.00 177.57 177.56 1s1h n ASP 29 N -4.48 0.11 -1.57 4.19 8.00 -1.26 -3.36 116.55 118.20 1s1h n ASP 29 Ca 0.29 -1.00 0.06 0.00 0.71 0.00 0.00 54.79 54.85 1s1h n ASP 29 Cb 1.16 -0.01 0.34 0.00 -0.02 0.00 0.00 41.12 42.60 1s1h n ASP 29 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1s1h n HIS 30 N -0.92 1.74 -0.90 1.24 8.25 0.15 -4.92 115.22 119.85 1s1h n HIS 30 Ca 0.23 -0.85 0.00 0.00 -0.26 0.00 0.00 57.72 56.84 1s1h n HIS 30 Cb 0.13 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.77 1s1h n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s1h n GLY 31 N 0.12 0.56 0.37 -1.41 0.00 -1.21 -4.83 105.19 98.78 1s1h n GLY 31 Ca 0.27 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1s1h n GLY 31 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s1h h LYS 32 N 0.00 -0.56 -0.36 1.61 3.64 -1.69 -0.86 116.57 118.35 1s1h h LYS 32 Ca 0.00 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1s1h h LYS 32 Cb 0.12 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1s1h h LYS 32 CO 0.00 -0.38 0.10 1.03 -2.27 0.00 0.00 179.45 177.94 1s1h h SER 33 N -0.58 0.09 -0.64 4.20 0.87 -1.91 -1.50 113.55 114.06 1s1h h SER 33 Ca 0.03 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1s1h h SER 33 Cb 0.62 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1s1h h SER 33 CO -0.21 0.09 0.25 0.71 -0.53 0.00 0.00 176.83 177.13 1s1h h THR 34 N 0.24 1.24 -0.28 2.23 1.35 -1.89 0.35 112.91 116.14 1s1h h THR 34 Ca 0.17 -0.76 -0.10 0.00 -0.55 0.00 0.00 66.41 65.16 1s1h h THR 34 Cb 0.16 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 1s1h h THR 34 CO -0.19 0.30 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.10 1s1h h LEU 35 N 0.97 0.69 -0.57 3.87 3.38 -0.88 -1.50 115.31 121.27 1s1h h LEU 35 Ca 0.22 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1s1h h LEU 35 Cb 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1s1h h LEU 35 CO -0.02 0.99 0.09 0.71 0.09 0.00 0.00 178.44 180.30 1s1h h THR 36 N 0.39 1.26 -0.87 0.22 1.35 -1.09 -1.80 112.91 112.36 1s1h h THR 36 Ca 0.05 -0.98 0.02 0.00 -0.55 0.00 0.00 66.41 64.96 1s1h h THR 36 Cb 0.77 0.78 -0.05 0.00 -1.73 0.00 0.00 68.15 67.92 1s1h h THR 36 CO 0.06 0.36 0.58 0.44 -0.25 0.00 0.00 175.52 176.70 1s1h h ASP 37 N 0.84 0.98 -0.56 5.36 3.32 -0.86 0.09 116.42 125.59 1s1h h ASP 37 Ca 0.17 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1s1h h ASP 37 Cb 0.41 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1s1h h ASP 37 CO 0.01 0.69 0.34 -1.28 -1.72 0.00 0.00 179.24 177.29 1s1h h SER 38 N 1.15 0.67 -0.37 6.45 0.87 -0.65 0.14 113.55 121.81 1s1h h SER 38 Ca 0.33 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1s1h h SER 38 Cb -0.08 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 1s1h h SER 38 CO -0.08 0.52 0.14 -0.07 -0.53 0.00 0.00 176.83 176.81 1s1h h LEU 39 N 0.76 0.51 -0.26 2.23 3.38 -0.49 -2.36 115.31 119.08 1s1h h LEU 39 Ca 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1s1h h LEU 39 Cb -0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1s1h h LEU 39 CO -0.04 0.55 0.14 0.58 0.09 0.00 0.00 178.44 179.76 1s1h h VAL 40 N 0.45 1.12 -0.67 1.22 2.07 -0.60 0.55 116.25 120.38 1s1h h VAL 40 Ca 0.12 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1s1h h VAL 40 Cb 0.20 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1s1h h VAL 40 CO -0.01 0.12 0.39 1.56 0.02 0.00 0.00 177.57 179.65 1s1h h GLN 41 N 0.30 0.91 0.17 1.57 4.20 -0.67 0.44 115.11 122.03 1s1h h GLN 41 Ca 0.09 -0.08 -0.30 0.00 0.06 0.00 0.00 58.65 58.42 1s1h h GLN 41 Cb 0.06 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 27.67 1s1h h GLN 41 CO -0.01 0.65 -1.38 -0.09 -0.67 0.00 0.00 178.83 177.33 1s1h h ARG 42 N 0.93 0.36 0.00 1.46 9.65 -1.16 -3.41 114.38 122.21 1s1h h ARG 42 Ca 0.24 -0.61 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 1s1h h ARG 42 Cb -0.02 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1s1h h ARG 42 CO -0.04 1.28 -0.02 0.00 2.80 0.00 0.00 179.97 183.99 1s1h n ALA 43 N -2.62 1.18 -1.68 2.80 0.00 0.16 -5.02 120.51 115.33 1s1h n ALA 43 Ca -0.13 -0.60 -0.40 0.00 0.00 0.00 0.00 53.44 52.31 1s1h n ALA 43 Cb 1.06 -0.02 0.02 0.00 0.00 0.00 0.00 19.45 20.51 1s1h n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1h n GLY 44 N -0.07 0.30 3.67 0.00 0.00 0.15 -0.64 105.19 108.60 1s1h n GLY 44 Ca 0.00 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1s1h n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s1h s ILE 45 N -1.28 4.44 0.10 -0.61 1.01 0.51 -4.60 121.20 120.77 1s1h s ILE 45 Ca 0.66 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 61.17 1s1h s ILE 45 Cb -0.48 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1s1h s ILE 45 CO 0.54 0.57 -0.13 -0.63 0.00 0.00 0.00 174.94 175.29 1s1h s ILE 46 N -0.53 1.17 0.55 2.92 1.01 -1.26 -4.73 121.20 120.33 1s1h s ILE 46 Ca 0.09 -1.55 -0.20 0.00 0.00 0.00 0.00 60.65 58.99 1s1h s ILE 46 Cb -0.12 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 1s1h s ILE 46 CO 0.02 -0.38 1.22 -0.44 0.00 0.00 0.00 174.94 175.36 1s1h s SER 47 N -2.20 5.47 0.04 3.58 0.01 -1.26 0.05 113.70 119.40 1s1h s SER 47 Ca 0.04 2.42 0.07 0.00 1.31 0.00 0.00 55.95 59.79 1s1h s SER 47 Cb -0.06 -2.60 0.31 0.00 0.21 0.00 0.00 66.02 63.87 1s1h s SER 47 CO 0.02 -1.40 1.21 0.00 0.41 0.00 0.00 173.24 173.48 1s1h n ALA 48 N -1.21 1.19 -1.17 1.44 0.00 0.59 -4.54 120.51 116.80 1s1h n ALA 48 Ca 0.11 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.64 1s1h n ALA 48 Cb 0.49 -1.11 0.19 0.00 0.00 0.00 0.00 19.45 19.02 1s1h n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1h n GLY 67 N -1.06 4.71 3.89 0.00 0.00 -1.26 -5.00 105.19 106.48 1s1h n GLY 67 Ca 0.01 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1s1h n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s1h s ILE 68 N -2.96 4.94 0.07 -0.61 1.01 -1.26 -5.05 121.20 117.35 1s1h s ILE 68 Ca 0.37 0.25 0.02 0.00 0.00 0.00 0.00 60.65 61.29 1s1h s ILE 68 Cb 0.32 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1s1h s ILE 68 CO 0.03 -0.38 -0.08 0.42 0.00 0.00 0.00 174.94 174.93 1s1h s THR 69 N -2.17 0.69 0.30 2.92 -4.23 -1.26 -4.62 115.64 107.26 1s1h s THR 69 Ca 0.46 -1.49 0.03 0.00 -1.18 0.00 0.00 61.69 59.52 1s1h s THR 69 Cb -0.11 -1.14 -0.04 0.00 1.34 0.00 0.00 72.50 72.56 1s1h s THR 69 CO 0.30 -0.58 0.17 0.27 -0.54 0.00 0.00 174.62 174.24 1s1h s ILE 70 N -2.35 0.25 0.02 2.99 -4.36 0.02 -0.98 121.20 116.79 1s1h s ILE 70 Ca 0.01 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.10 1s1h s ILE 70 Cb -0.03 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 1s1h s ILE 70 CO -0.01 0.00 1.04 -0.75 0.24 0.00 0.00 174.94 175.46 1s1h s LYS 71 N -3.81 4.52 -0.14 0.37 2.20 -0.94 -4.44 119.74 117.50 1s1h s LYS 71 Ca 0.37 1.52 -0.35 0.00 -0.36 0.00 0.00 55.97 57.14 1s1h s LYS 71 Cb 0.05 -3.43 -0.12 0.00 -1.51 0.00 0.00 37.83 32.82 1s1h s LYS 71 CO 0.18 -0.11 1.88 0.45 -0.36 0.00 0.00 175.35 177.40 1s1h n SER 72 N 3.90 3.19 -0.02 1.43 2.88 -1.25 -4.79 113.62 118.96 1s1h n SER 72 Ca 0.07 0.94 -0.02 0.00 -1.33 0.00 0.00 58.87 58.53 1s1h n SER 72 Cb 0.50 -1.33 -0.03 0.00 -0.75 0.00 0.00 64.21 62.60 1s1h n SER 72 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1s1h n THR 73 N 5.24 0.29 -3.59 2.46 -1.04 -1.25 -4.93 114.28 111.46 1s1h n THR 73 Ca 0.25 -0.18 -0.16 0.00 -2.04 0.00 0.00 64.05 61.92 1s1h n THR 73 Cb 0.26 -0.88 -0.06 0.00 -1.82 0.00 0.00 70.33 67.83 1s1h n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s1h s ALA 74 N -2.10 -1.42 0.04 2.41 0.00 -1.26 -0.91 121.76 118.52 1s1h s ALA 74 Ca -0.02 0.88 0.06 0.00 0.00 0.00 0.00 51.96 52.88 1s1h s ALA 74 Cb 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 1s1h s ALA 74 CO 0.17 -0.39 -0.18 0.42 0.00 0.00 0.00 175.76 175.78 1s1h s ILE 75 N -1.60 1.46 -0.15 0.00 1.01 -0.34 -1.34 121.20 120.24 1s1h s ILE 75 Ca -0.10 -1.14 -0.06 0.00 0.00 0.00 0.00 60.65 59.35 1s1h s ILE 75 Cb -0.01 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1s1h s ILE 75 CO 0.05 0.12 0.05 -0.44 0.00 0.00 0.00 174.94 174.72 1s1h s SER 76 N -1.20 5.58 0.13 3.58 0.01 -1.26 -0.55 113.70 119.99 1s1h s SER 76 Ca 0.05 0.14 0.09 0.00 1.31 0.00 0.00 55.95 57.54 1s1h s SER 76 Cb -0.08 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1s1h s SER 76 CO 0.02 0.26 -0.18 -0.76 0.41 0.00 0.00 173.24 172.98 1s1h s LEU 77 N -0.13 2.69 -0.08 2.44 1.02 0.70 -0.36 118.68 124.94 1s1h s LEU 77 Ca 0.07 -0.60 0.03 0.00 0.02 0.00 0.00 54.13 53.64 1s1h s LEU 77 Cb -0.12 -1.50 0.01 0.00 0.02 0.00 0.00 46.19 44.59 1s1h s LEU 77 CO 0.01 0.16 -0.16 -0.47 0.02 0.00 0.00 176.35 175.91 1s1h s TYR 78 N -1.25 1.88 -0.02 0.29 5.04 0.18 -0.97 117.35 122.50 1s1h s TYR 78 Ca 0.19 -0.75 -0.02 0.00 -2.44 0.00 0.00 57.07 54.05 1s1h s TYR 78 Cb -0.10 -1.32 0.01 0.00 0.35 0.00 0.00 41.96 40.90 1s1h s TYR 78 CO 0.10 -0.35 0.06 0.45 -1.34 0.00 0.00 175.55 174.47 1s1h s SER 79 N 0.60 -0.05 -0.07 4.32 0.15 -0.82 -4.68 113.70 113.14 1s1h s SER 79 Ca -0.15 0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.65 1s1h s SER 79 Cb -0.16 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 1s1h s SER 79 CO 0.05 -0.03 -0.23 -1.61 1.20 0.00 0.00 173.24 172.61 1s1h s GLU 80 N -0.02 2.74 0.24 5.44 2.02 -1.26 -0.55 118.70 127.31 1s1h s GLU 80 Ca -0.01 -0.87 0.09 0.00 0.02 0.00 0.00 54.97 54.20 1s1h s GLU 80 Cb -0.01 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 1s1h s GLU 80 CO 0.00 0.33 0.00 -1.64 0.02 0.00 0.00 175.26 173.97 1s1h s MET 81 N -0.03 2.34 0.76 1.61 -1.94 -0.48 -5.03 119.30 116.53 1s1h s MET 81 Ca -0.07 -1.32 -0.11 0.00 -1.71 0.00 0.00 55.69 52.48 1s1h s MET 81 Cb -0.15 -2.22 0.04 0.00 2.01 0.00 0.00 34.83 34.51 1s1h s MET 81 CO 0.05 0.39 1.08 -1.54 -0.01 0.00 0.00 175.02 174.99 1s1h s SER 82 N -3.48 4.81 0.47 3.03 1.04 -1.26 -4.77 113.70 113.54 1s1h s SER 82 Ca 0.30 1.54 0.12 0.00 0.48 0.00 0.00 55.95 58.40 1s1h s SER 82 Cb -0.07 -2.33 1.10 0.00 0.10 0.00 0.00 66.02 64.81 1s1h s SER 82 CO 0.20 -1.80 2.11 0.44 0.98 0.00 0.00 173.24 175.16 1s1h h ASP 83 N -0.97 0.20 -0.03 7.02 3.32 -1.99 -1.20 116.42 122.77 1s1h h ASP 83 Ca -0.45 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.40 1s1h h ASP 83 Cb 1.24 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.75 1s1h h ASP 83 CO 0.56 0.15 -0.75 1.05 -1.72 0.00 0.00 179.24 178.53 1s1h h GLU 84 N 0.24 0.56 0.05 3.56 4.11 -2.00 -3.02 114.58 118.08 1s1h h GLU 84 Ca 0.07 -0.56 0.01 0.00 0.07 0.00 0.00 59.36 58.95 1s1h h GLU 84 Cb 0.00 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1s1h h GLU 84 CO -0.02 1.18 -0.12 -0.44 0.07 0.00 0.00 179.01 179.69 1s1h h ASP 85 N 0.15 -0.35 -0.83 3.06 3.45 -1.79 -1.89 116.42 118.22 1s1h h ASP 85 Ca -0.08 0.05 0.21 0.00 0.43 0.00 0.00 57.03 57.63 1s1h h ASP 85 Cb 1.42 0.14 -0.05 0.00 -0.56 0.00 0.00 39.33 40.28 1s1h h ASP 85 CO 0.15 -0.18 0.57 0.58 -1.57 0.00 0.00 179.24 178.79 1s1h h VAL 86 N -0.23 0.66 0.00 -1.35 2.07 -1.30 0.31 116.25 116.41 1s1h h VAL 86 Ca 0.03 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1s1h h VAL 86 Cb 0.27 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1s1h h VAL 86 CO -0.09 0.04 -0.14 0.11 0.02 0.00 0.00 177.57 177.51 1s1h h LYS 87 N 0.23 0.00 0.00 1.57 1.57 -1.20 -2.42 116.57 116.31 1s1h h LYS 87 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1s1h h LYS 87 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1s1h h LYS 87 CO -0.10 0.14 0.00 0.93 -0.57 0.00 0.00 179.45 179.85 1s1h h GLU 88 N 0.00 0.00 -6.23 3.15 5.08 -0.31 -3.44 114.58 112.83 1s1h h GLU 88 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1s1h h GLU 88 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1s1h h GLU 88 CO 0.02 0.00 1.24 0.42 -1.00 0.00 0.00 179.01 179.69 1s1h s ILE 89 N -3.38 3.34 -0.96 3.13 1.01 -0.92 -4.84 121.20 118.58 1s1h s ILE 89 Ca 0.05 0.39 -0.07 0.00 0.00 0.00 0.00 60.65 61.02 1s1h s ILE 89 Cb 0.07 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1s1h s ILE 89 CO 0.61 -0.13 2.91 0.29 0.00 0.00 0.00 174.94 178.62 1s1h n LYS 90 N 7.86 3.35 -3.54 2.79 5.02 -1.26 -4.79 118.16 127.59 1s1h n LYS 90 Ca 0.22 -2.33 -0.16 0.00 -2.02 0.00 0.00 58.31 54.02 1s1h n LYS 90 Cb 0.44 -2.45 -0.06 0.00 -0.02 0.00 0.00 35.03 32.94 1s1h n LYS 90 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1s1h s GLN 91 N 0.23 0.94 0.01 1.97 0.74 -1.26 -5.12 119.66 117.17 1s1h s GLN 91 Ca 0.63 0.25 -0.35 0.00 0.05 0.00 0.00 55.36 55.94 1s1h s GLN 91 Cb 0.25 0.44 -0.14 0.00 1.10 0.00 0.00 33.01 34.67 1s1h s GLN 91 CO -0.09 -0.29 1.66 1.17 -0.55 0.00 0.00 175.29 177.19 1s1h n LYS 92 N 0.92 1.87 -4.11 1.67 4.81 -1.26 -4.97 118.16 117.08 1s1h n LYS 92 Ca -0.17 0.68 -0.15 0.00 -0.87 0.00 0.00 58.31 57.80 1s1h n LYS 92 Cb 0.57 -2.44 -0.12 0.00 0.02 0.00 0.00 35.03 33.06 1s1h n LYS 92 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1s1h s THR 93 N 2.21 0.79 -0.35 3.15 2.01 -1.26 -4.70 115.64 117.48 1s1h s THR 93 Ca 0.87 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 61.68 1s1h s THR 93 Cb -0.78 -0.83 0.14 0.00 0.01 0.00 0.00 72.50 71.04 1s1h s THR 93 CO 0.47 -0.33 0.24 -0.62 -0.69 0.00 0.00 174.62 173.70 1s1h s ASP 94 N -1.68 2.65 0.00 3.53 2.15 -1.26 -5.07 116.67 116.99 1s1h s ASP 94 Ca -0.06 -2.06 0.00 0.00 0.43 0.00 0.00 52.55 50.86 1s1h s ASP 94 Cb -0.10 -0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.30 1s1h s ASP 94 CO 0.01 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 1s1h n GLY 95 N 4.11 0.70 0.93 2.66 0.00 -1.26 -4.75 105.19 107.58 1s1h n GLY 95 Ca 0.12 -2.03 0.10 0.00 0.00 0.00 0.00 46.02 44.20 1s1h n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s1h n ASN 96 N -0.11 3.07 -4.88 1.61 3.02 -1.26 -4.97 115.26 111.75 1s1h n ASN 96 Ca 0.00 -1.90 -0.35 0.00 -0.03 0.00 0.00 54.58 52.31 1s1h n ASN 96 Cb 0.00 -0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 38.93 1s1h n ASN 96 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1s1h s SER 97 N -1.33 6.56 -0.01 6.41 0.01 -1.26 -1.38 113.70 122.70 1s1h s SER 97 Ca 0.31 0.65 0.01 0.00 1.31 0.00 0.00 55.95 58.23 1s1h s SER 97 Cb 0.18 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 64.29 1s1h s SER 97 CO 0.26 0.24 -0.02 -0.36 0.41 0.00 0.00 173.24 173.76 1s1h s PHE 98 N -1.30 0.29 -0.24 2.43 0.08 0.29 -4.82 117.98 114.70 1s1h s PHE 98 Ca 0.28 -0.04 -0.08 0.00 0.12 0.00 0.00 56.93 57.22 1s1h s PHE 98 Cb -0.14 -0.25 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 1s1h s PHE 98 CO 0.16 -0.04 0.09 -1.17 -0.10 0.00 0.00 175.22 174.16 1s1h s LEU 99 N 0.24 3.59 -0.20 -0.37 2.96 -0.46 -1.95 118.68 122.48 1s1h s LEU 99 Ca -0.02 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1s1h s LEU 99 Cb -0.05 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1s1h s LEU 99 CO -0.01 -0.00 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.29 1s1h s ILE 100 N 1.44 2.89 -0.38 6.68 1.01 -0.14 -0.98 121.20 131.71 1s1h s ILE 100 Ca 0.06 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.87 1s1h s ILE 100 Cb -0.15 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1s1h s ILE 100 CO 0.04 0.47 0.51 0.20 0.00 0.00 0.00 174.94 176.16 1s1h s ASN 101 N 1.36 6.28 -0.57 3.58 0.02 0.55 -0.22 114.94 125.94 1s1h s ASN 101 Ca 0.05 -0.26 -0.18 0.00 -1.02 0.00 0.00 52.86 51.45 1s1h s ASN 101 Cb -0.14 -2.26 0.10 0.00 0.02 0.00 0.00 41.25 38.97 1s1h s ASN 101 CO -0.06 -0.55 0.65 -0.22 0.02 0.00 0.00 177.10 176.93 1s1h s LEU 102 N 2.39 5.51 -0.13 0.60 2.96 0.29 -1.50 118.68 128.81 1s1h s LEU 102 Ca 0.17 -1.45 -0.24 0.00 -0.22 0.00 0.00 54.13 52.39 1s1h s LEU 102 Cb -0.16 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1s1h s LEU 102 CO 0.14 -1.03 0.74 -0.63 -1.32 0.00 0.00 176.35 174.25 1s1h s ILE 103 N 2.44 4.98 0.45 6.68 1.01 0.43 -1.20 121.20 135.99 1s1h s ILE 103 Ca 0.10 1.47 -0.25 0.00 0.00 0.00 0.00 60.65 61.97 1s1h s ILE 103 Cb -0.25 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 1s1h s ILE 103 CO 0.06 0.14 1.35 -0.62 0.00 0.00 0.00 174.94 175.87 1s1h s ASP 104 N 1.01 5.99 0.01 3.58 2.15 -0.09 -4.39 116.67 124.93 1s1h s ASP 104 Ca 0.36 2.75 0.02 0.00 0.43 0.00 0.00 52.55 56.12 1s1h s ASP 104 Cb -0.17 -2.64 -0.01 0.00 -0.30 0.00 0.00 42.92 39.80 1s1h s ASP 104 CO 0.15 -1.08 -0.07 -0.94 -0.17 0.00 0.00 175.17 173.06 1s1h s SER 105 N -0.71 0.79 0.00 -0.34 1.04 -1.26 -4.96 113.70 108.25 1s1h s SER 105 Ca 0.61 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1s1h s SER 105 Cb -0.40 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1s1h s SER 105 CO 0.51 -0.00 0.00 -2.65 0.98 0.00 0.00 173.24 172.07 1s1h n PRO 106 N 2.48 0.00 0.00 4.02 -0.02 -1.26 -4.99 135.00 135.24 1s1h n PRO 106 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1s1h n PRO 106 Cb 0.57 -0.41 0.00 0.00 -0.02 0.00 0.00 33.50 33.64 1s1h n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s1h n GLY 107 N 0.32 4.30 3.47 -1.23 0.00 -1.26 -5.00 105.19 105.78 1s1h n GLY 107 Ca 0.00 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 1s1h n GLY 107 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1s1h n HIS 108 N 0.00 0.33 -4.66 1.61 1.44 -1.26 -4.84 115.22 107.84 1s1h n HIS 108 Ca 0.00 -0.01 -0.27 0.00 -2.01 0.00 0.00 57.72 55.43 1s1h n HIS 108 Cb 0.00 -1.11 -0.14 0.00 0.12 0.00 0.00 29.99 28.86 1s1h n HIS 108 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1s1h s VAL 109 N 4.41 1.88 0.00 0.61 -7.23 -1.26 -4.36 120.40 114.44 1s1h s VAL 109 Ca 1.07 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1s1h s VAL 109 Cb -0.55 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1s1h s VAL 109 CO 0.38 0.21 0.50 0.47 -0.31 0.00 0.00 175.10 176.35 1s1h n ASP 110 N 1.65 -0.07 -0.97 4.85 8.00 -1.26 -4.83 116.55 123.92 1s1h n ASP 110 Ca -0.17 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1s1h n ASP 110 Cb 0.53 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1s1h n ASP 110 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1s1h n PHE 111 N 0.00 0.00 -2.81 1.24 3.01 -1.25 0.37 117.46 118.02 1s1h n PHE 111 Ca -0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.11 1s1h n PHE 111 Cb 0.48 -1.72 -0.07 0.00 -0.01 0.00 0.00 39.48 38.16 1s1h n PHE 111 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1s1h s SER 112 N -2.65 6.94 0.40 4.37 1.04 -1.26 -4.09 113.70 118.46 1s1h s SER 112 Ca 0.00 1.71 0.21 0.00 0.48 0.00 0.00 55.95 58.34 1s1h s SER 112 Cb 0.00 -2.54 0.79 0.00 0.10 0.00 0.00 66.02 64.36 1s1h s SER 112 CO 0.00 -0.36 1.78 0.77 0.98 0.00 0.00 173.24 176.41 1s1h h SER 113 N 1.97 0.00 0.36 7.02 4.64 -1.90 -3.13 113.55 122.50 1s1h h SER 113 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1s1h h SER 113 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1s1h h SER 113 CO 0.61 0.31 -0.17 -0.33 -0.87 0.00 0.00 176.83 176.38 1s1h h GLU 114 N 0.00 -0.47 -0.76 4.77 4.39 -1.90 -1.58 114.58 119.04 1s1h h GLU 114 Ca -0.00 0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.87 1s1h h GLU 114 Cb 0.82 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 29.49 1s1h h GLU 114 CO 0.04 -0.29 0.32 0.28 -1.16 0.00 0.00 179.01 178.20 1s1h h VAL 115 N -0.52 0.68 0.00 3.13 2.07 -1.91 0.30 116.25 120.00 1s1h h VAL 115 Ca -0.05 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1s1h h VAL 115 Cb 0.39 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1s1h h VAL 115 CO 0.08 0.09 -0.07 0.74 0.02 0.00 0.00 177.57 178.43 1s1h h THR 116 N 0.47 0.41 -0.12 2.57 2.02 -1.40 -1.08 112.91 115.78 1s1h h THR 116 Ca 0.41 -0.35 -0.17 0.00 0.77 0.00 0.00 66.41 67.07 1s1h h THR 116 Cb 0.61 1.24 0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1s1h h THR 116 CO -0.39 0.07 -0.59 0.00 0.37 0.00 0.00 175.52 174.98 1s1h h ALA 117 N 1.93 0.23 -0.19 6.16 0.00 0.58 -1.75 119.26 126.22 1s1h h ALA 117 Ca -0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 1s1h h ALA 117 Cb 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1s1h h ALA 117 CO 0.01 0.48 -0.58 0.00 0.00 0.00 0.00 179.25 179.16 1s1h h ALA 118 N 0.50 0.63 -0.55 0.00 0.00 -1.05 -3.00 119.26 115.78 1s1h h ALA 118 Ca -0.04 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1s1h h ALA 118 Cb 1.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1s1h h ALA 118 CO 0.12 0.70 0.05 -0.07 0.00 0.00 0.00 179.25 180.05 1s1h h LEU 119 N 0.45 0.86 -1.93 0.00 3.38 -1.23 -3.02 115.31 113.82 1s1h h LEU 119 Ca 0.00 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 57.90 1s1h h LEU 119 Cb 1.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1s1h h LEU 119 CO 0.11 0.90 0.35 -0.09 0.09 0.00 0.00 178.44 179.79 1s1h h ARG 120 N 0.85 0.07 -0.20 1.13 2.43 -1.16 0.13 114.38 117.62 1s1h h ARG 120 Ca 0.17 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1s1h h ARG 120 Cb 0.43 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1s1h h ARG 120 CO 0.01 0.04 0.00 1.33 -1.51 0.00 0.00 179.97 179.85 1s1h n VAL 121 N -4.41 0.26 -4.28 0.20 0.24 -1.14 -4.88 118.33 104.32 1s1h n VAL 121 Ca 0.09 -0.37 -0.25 0.00 -2.04 0.00 0.00 64.34 61.76 1s1h n VAL 121 Cb 0.52 0.32 -0.08 0.00 -1.47 0.00 0.00 33.84 33.13 1s1h n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1s1h s THR 122 N -1.74 3.34 -0.05 3.34 -4.23 0.46 -4.82 115.64 111.95 1s1h s THR 122 Ca 0.30 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1s1h s THR 122 Cb 0.16 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 1s1h s THR 122 CO 0.24 -0.20 0.09 0.47 -0.54 0.00 0.00 174.62 174.68 1s1h n ASP 123 N -0.29 3.08 -4.14 3.99 8.00 -0.24 -4.87 116.55 122.09 1s1h n ASP 123 Ca -0.09 -0.16 -0.09 0.00 0.71 0.00 0.00 54.79 55.15 1s1h n ASP 123 Cb 0.57 1.11 -0.10 0.00 -0.02 0.00 0.00 41.12 42.67 1s1h n ASP 123 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1s1h s GLY 124 N -2.06 0.67 -0.04 0.44 0.00 -0.79 -1.94 107.32 103.60 1s1h s GLY 124 Ca -0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 44.72 43.37 1s1h s GLY 124 CO 0.13 -1.39 0.12 0.00 0.00 0.00 0.00 173.10 171.96 1s1h s ALA 125 N -3.79 -0.29 -0.42 3.20 0.00 -0.11 -2.69 121.76 117.66 1s1h s ALA 125 Ca 0.11 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.25 1s1h s ALA 125 Cb 0.07 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1s1h s ALA 125 CO -0.06 -0.06 0.35 -1.17 0.00 0.00 0.00 175.76 174.82 1s1h s LEU 126 N 0.11 5.06 -0.24 0.00 2.96 -0.39 -1.25 118.68 124.94 1s1h s LEU 126 Ca -0.00 -0.86 -0.15 0.00 -0.22 0.00 0.00 54.13 52.90 1s1h s LEU 126 Cb -0.01 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1s1h s LEU 126 CO -0.00 -0.51 0.36 -0.69 -1.32 0.00 0.00 176.35 174.20 1s1h s VAL 127 N 1.83 5.20 -0.19 1.68 1.01 0.19 -1.13 120.40 128.98 1s1h s VAL 127 Ca 0.07 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 1s1h s VAL 127 Cb -0.19 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1s1h s VAL 127 CO 0.11 0.21 0.24 -0.69 0.00 0.00 0.00 175.10 174.97 1s1h s VAL 128 N 1.71 5.33 0.12 2.92 1.01 -0.52 -0.93 120.40 130.03 1s1h s VAL 128 Ca 0.16 0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.62 1s1h s VAL 128 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1s1h s VAL 128 CO 0.09 0.37 -0.19 -0.69 0.00 0.00 0.00 175.10 174.68 1s1h s VAL 129 N 0.69 1.67 0.01 2.92 1.01 -0.31 -4.71 120.40 121.68 1s1h s VAL 129 Ca 0.13 -1.63 -0.16 0.00 0.00 0.00 0.00 61.98 60.32 1s1h s VAL 129 Cb -0.13 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 1s1h s VAL 129 CO 0.03 -0.16 0.44 -0.62 0.00 0.00 0.00 175.10 174.79 1s1h s ASP 130 N -2.13 6.85 0.14 3.32 2.15 -0.94 0.09 116.67 126.15 1s1h s ASP 130 Ca 0.08 1.02 -0.19 0.00 0.43 0.00 0.00 52.55 53.89 1s1h s ASP 130 Cb -0.09 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1s1h s ASP 130 CO 0.05 0.31 1.73 0.74 -0.17 0.00 0.00 175.17 177.82 1s1h h THR 131 N 3.71 0.85 0.00 1.71 2.02 -1.48 0.97 112.91 120.69 1s1h h THR 131 Ca -0.51 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1s1h h THR 131 Cb 1.22 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1s1h h THR 131 CO 0.62 0.02 -0.28 0.40 0.37 0.00 0.00 175.52 176.66 1s1h h ILE 132 N 0.11 1.24 0.00 3.11 2.04 -1.86 -3.38 117.51 118.78 1s1h h ILE 132 Ca 0.12 -2.03 -0.01 0.00 1.00 0.00 0.00 64.86 63.94 1s1h h ILE 132 Cb 0.14 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1s1h h ILE 132 CO -0.18 0.42 -0.04 -0.33 0.00 0.00 0.00 178.15 178.02 1s1h h GLU 133 N -1.00 0.00 0.00 2.37 5.08 -1.98 -3.49 114.58 115.56 1s1h h GLU 133 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1s1h h GLU 133 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1s1h h GLU 133 CO -0.04 0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1s1h n GLY 134 N 0.72 0.95 3.54 -3.84 0.00 0.34 -4.64 105.19 102.26 1s1h n GLY 134 Ca 0.03 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1s1h n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s1h s VAL 135 N 0.00 5.06 0.58 1.61 1.01 -1.26 -2.21 120.40 125.20 1s1h s VAL 135 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1s1h s VAL 135 Cb 0.00 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1s1h s VAL 135 CO 0.00 -0.24 0.96 0.00 0.00 0.00 0.00 175.10 175.82 1s1h h VAL 137 N -0.17 0.78 -0.16 0.00 -1.51 -1.98 -0.43 116.25 112.77 1s1h h VAL 137 Ca -0.45 -0.19 0.01 0.00 -1.23 0.00 0.00 66.70 64.84 1s1h h VAL 137 Cb 1.19 0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1s1h h VAL 137 CO 0.62 0.10 0.08 -0.61 -1.23 0.00 0.00 177.57 176.53 1s1h h GLN 138 N 0.54 0.17 -0.86 5.19 4.15 -1.93 0.78 115.11 123.15 1s1h h GLN 138 Ca 0.38 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.76 1s1h h GLN 138 Cb 0.47 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 1s1h h GLN 138 CO -0.32 0.11 0.43 1.15 -1.93 0.00 0.00 178.83 178.27 1s1h h THR 139 N 0.17 1.26 -0.58 2.39 2.02 -1.80 -0.79 112.91 115.58 1s1h h THR 139 Ca 0.07 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1s1h h THR 139 Cb 0.01 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 1s1h h THR 139 CO -0.05 0.31 0.27 -0.08 0.37 0.00 0.00 175.52 176.34 1s1h h GLU 140 N 1.22 0.84 -0.23 6.66 4.81 -0.66 0.69 114.58 127.92 1s1h h GLU 140 Ca 0.30 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1s1h h GLU 140 Cb 0.09 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1s1h h GLU 140 CO -0.04 0.69 0.14 1.15 -0.73 0.00 0.00 179.01 180.22 1s1h h THR 141 N 0.79 1.08 -0.48 0.32 2.02 -0.21 33.43 112.91 149.87 1s1h h THR 141 Ca 0.20 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1s1h h THR 141 Cb 0.13 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1s1h h THR 141 CO -0.02 0.08 -0.23 0.58 0.37 0.00 0.00 175.52 176.30 1s1h h VAL 142 N 0.28 1.27 -0.84 3.16 2.07 -0.99 -2.21 116.25 119.00 1s1h h VAL 142 Ca 0.08 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.21 1s1h h VAL 142 Cb 0.01 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1s1h h VAL 142 CO -0.02 0.48 0.55 0.25 0.02 0.00 0.00 177.57 178.86 1s1h h LEU 143 N 0.86 0.98 -0.52 2.57 5.85 -0.68 0.19 115.31 124.55 1s1h h LEU 143 Ca 0.11 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1s1h h LEU 143 Cb 0.81 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1s1h h LEU 143 CO 0.07 0.72 0.32 -0.09 -0.34 0.00 0.00 178.44 179.12 1s1h h ARG 144 N 1.15 0.69 -0.62 1.25 2.43 -0.91 0.30 114.38 118.67 1s1h h ARG 144 Ca 0.31 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1s1h h ARG 144 Cb -0.12 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.26 1s1h h ARG 144 CO -0.07 0.49 0.13 1.96 -1.51 0.00 0.00 179.97 180.98 1s1h h GLN 145 N 0.69 1.01 -0.28 0.20 4.20 -0.76 -0.40 115.11 119.78 1s1h h GLN 145 Ca 0.19 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1s1h h GLN 145 Cb -0.03 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1s1h h GLN 145 CO -0.04 0.93 0.18 0.00 -0.67 0.00 0.00 178.83 179.23 1s1h h ALA 146 N 1.04 0.35 -0.65 3.87 0.00 0.12 -1.22 119.26 122.78 1s1h h ALA 146 Ca 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1s1h h ALA 146 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1s1h h ALA 146 CO 0.01 -0.19 0.42 -0.07 0.00 0.00 0.00 179.25 179.42 1s1h h LEU 147 N 0.36 0.75 -1.79 0.00 3.38 -0.17 0.75 115.31 118.59 1s1h h LEU 147 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1s1h h LEU 147 Cb -0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1s1h h LEU 147 CO -0.03 0.55 0.00 1.23 0.09 0.00 0.00 178.44 180.27 1s1h h GLY 148 N 0.88 0.00 -2.29 0.83 0.00 0.13 0.21 103.07 102.84 1s1h h GLY 148 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1s1h h GLY 148 CO -0.05 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.67 1s1h n GLU 149 N -2.63 2.50 -2.79 4.80 -0.58 0.21 -4.94 120.64 117.21 1s1h n GLU 149 Ca -0.01 -2.31 -0.18 0.00 -0.42 0.00 0.00 57.16 54.24 1s1h n GLU 149 Cb 0.12 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.51 1s1h n GLU 149 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1s1h n ARG 150 N 1.45 -3.62 -3.07 3.49 1.74 0.74 -4.99 116.66 112.41 1s1h n ARG 150 Ca 0.19 0.78 -0.39 0.00 -0.77 0.00 0.00 57.85 57.66 1s1h n ARG 150 Cb 0.59 -5.32 -0.05 0.00 -1.02 0.00 0.00 32.46 26.66 1s1h n ARG 150 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1s1h s ILE 151 N -3.04 4.79 0.03 0.55 1.01 -0.88 -4.98 121.20 118.68 1s1h s ILE 151 Ca 0.21 1.48 -0.24 0.00 0.00 0.00 0.00 60.65 62.10 1s1h s ILE 151 Cb -0.09 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1s1h s ILE 151 CO 0.26 0.39 0.72 -0.75 0.00 0.00 0.00 174.94 175.55 1s1h s LYS 152 N -0.12 4.45 0.13 2.79 2.20 -0.82 -4.48 119.74 123.89 1s1h s LYS 152 Ca 0.36 0.98 0.02 0.00 -0.36 0.00 0.00 55.97 56.96 1s1h s LYS 152 Cb -0.20 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1s1h s LYS 152 CO 0.21 0.30 0.25 -1.25 -0.36 0.00 0.00 175.35 174.49 1s1h s PRO 153 N -0.06 3.38 0.00 4.03 0.04 -1.26 -0.94 135.00 140.19 1s1h s PRO 153 Ca 0.37 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1s1h s PRO 153 Cb -0.20 -2.95 -0.00 0.00 0.04 0.00 0.00 34.50 31.39 1s1h s PRO 153 CO 0.21 0.54 -0.01 0.08 0.04 0.00 0.00 177.00 177.86 1s1h s VAL 154 N -1.68 0.09 0.06 -0.36 1.01 -0.38 -4.88 120.40 114.25 1s1h s VAL 154 Ca 0.34 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1s1h s VAL 154 Cb -0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1s1h s VAL 154 CO 0.28 -0.02 -0.15 -0.69 0.00 0.00 0.00 175.10 174.52 1s1h s VAL 155 N -0.15 3.05 -0.11 2.92 1.01 -0.83 0.56 120.40 126.86 1s1h s VAL 155 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1s1h s VAL 155 Cb -0.01 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 34.05 1s1h s VAL 155 CO -0.00 0.28 -0.09 -0.69 0.00 0.00 0.00 175.10 174.60 1s1h s VAL 156 N -1.02 1.06 -0.48 2.92 1.01 -0.11 0.50 120.40 124.29 1s1h s VAL 156 Ca 0.17 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 1s1h s VAL 156 Cb -0.11 -1.06 0.04 0.00 0.00 0.00 0.00 36.38 35.25 1s1h s VAL 156 CO 0.08 0.37 0.68 -0.63 0.00 0.00 0.00 175.10 175.60 1s1h s ILE 157 N 1.52 4.78 0.56 2.22 1.01 0.34 -1.16 121.20 130.48 1s1h s ILE 157 Ca 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.61 1s1h s ILE 157 Cb -0.13 -4.29 0.05 0.00 0.01 0.00 0.00 42.46 38.10 1s1h s ILE 157 CO -0.06 -0.74 0.79 0.21 0.00 0.00 0.00 174.94 175.13 1s1h s ASN 158 N 2.36 5.17 -1.22 3.58 2.47 0.11 -1.49 114.94 125.91 1s1h s ASN 158 Ca 0.21 -0.14 -0.05 0.00 0.42 0.00 0.00 52.86 53.30 1s1h s ASN 158 Cb -0.16 -0.68 0.01 0.00 -1.45 0.00 0.00 41.25 38.97 1s1h s ASN 158 CO 0.17 -1.22 0.69 0.29 -3.72 0.00 0.00 177.10 173.30 1s1h n LYS 159 N -2.37 -5.06 0.04 0.43 4.01 -0.77 -1.39 118.16 113.06 1s1h n LYS 159 Ca 0.09 0.73 0.00 0.00 -0.51 0.00 0.00 58.31 58.62 1s1h n LYS 159 Cb 0.60 -5.29 0.32 0.00 -0.51 0.00 0.00 35.03 30.15 1s1h n LYS 159 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1s1h h VAL 160 N -1.58 1.20 -0.96 -0.18 2.07 -1.49 -2.57 116.25 112.74 1s1h h VAL 160 Ca -0.45 -0.84 0.21 0.00 0.82 0.00 0.00 66.70 66.44 1s1h h VAL 160 Cb 1.30 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 1s1h h VAL 160 CO 0.47 0.28 0.62 -2.24 0.02 0.00 0.00 177.57 176.72 1s1h h ASP 161 N 0.40 0.51 -0.71 0.57 3.04 -1.91 -0.53 116.42 117.80 1s1h h ASP 161 Ca 0.08 0.06 -0.01 0.00 -3.24 0.00 0.00 57.03 53.93 1s1h h ASP 161 Cb 0.38 -0.03 -0.03 0.00 -1.04 0.00 0.00 39.33 38.61 1s1h h ASP 161 CO 0.02 0.18 0.42 -0.09 -2.04 0.00 0.00 179.24 177.72 1s1h h ARG 162 N 0.49 0.96 -0.34 4.15 2.43 -1.85 0.35 114.38 120.58 1s1h h ARG 162 Ca 0.53 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.51 1s1h h ARG 162 Cb 1.19 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1s1h h ARG 162 CO -0.25 0.69 -0.19 0.00 -1.51 0.00 0.00 179.97 178.71 1s1h h ALA 163 N 1.22 1.04 -0.03 2.80 0.00 -1.23 -0.80 119.26 122.26 1s1h h ALA 163 Ca 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1s1h h ALA 163 Cb -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1s1h h ALA 163 CO -0.05 0.58 -0.12 -0.07 0.00 0.00 0.00 179.25 179.59 1s1h h LEU 164 N 0.56 0.15 0.01 0.00 3.38 -1.15 -1.21 115.31 117.05 1s1h h LEU 164 Ca 0.09 -0.66 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 1s1h h LEU 164 Cb 0.64 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1s1h h LEU 164 CO 0.04 0.78 -0.00 -0.07 0.09 0.00 0.00 178.44 179.28 1s1h h LEU 165 N -0.48 -0.01 0.00 1.67 4.07 -0.95 -3.15 115.31 116.47 1s1h h LEU 165 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1s1h h LEU 165 Cb 0.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.52 1s1h h LEU 165 CO 0.02 0.21 0.00 -0.62 -1.08 0.00 0.00 178.44 176.97 1s1h n GLU 166 N -3.21 0.00 0.08 1.13 1.02 -0.32 -3.67 120.64 115.68 1s1h n GLU 166 Ca -0.00 0.46 0.11 0.00 -0.02 0.00 0.00 57.16 57.71 1s1h n GLU 166 Cb 0.00 -1.38 0.45 0.00 -0.02 0.00 0.00 31.44 30.49 1s1h n GLU 166 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1s1h n LEU 167 N -1.78 0.48 -4.08 -4.62 4.32 -1.13 -4.91 117.00 105.28 1s1h n LEU 167 Ca 0.00 0.60 -0.32 0.00 -0.02 0.00 0.00 56.01 56.27 1s1h n LEU 167 Cb 0.00 -0.50 -0.01 0.00 -1.62 0.00 0.00 43.42 41.28 1s1h n LEU 167 CO 0.00 -0.37 -0.06 0.00 -1.22 0.00 0.00 177.39 175.74 1s1h n GLN 168 N -2.00 -3.68 -1.42 3.23 6.02 -0.63 -4.88 117.38 114.01 1s1h n GLN 168 Ca 0.03 0.43 -0.33 0.00 -0.01 0.00 0.00 57.00 57.12 1s1h n GLN 168 Cb 0.26 -5.00 0.09 0.00 1.02 0.00 0.00 30.24 26.61 1s1h n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1s1h s VAL 169 N -3.50 2.54 0.58 5.09 1.01 -0.55 -5.01 120.40 120.55 1s1h s VAL 169 Ca 0.49 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1s1h s VAL 169 Cb -0.26 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1s1h s VAL 169 CO 0.90 -0.16 0.90 -0.94 0.00 0.00 0.00 175.10 175.80 1s1h s SER 170 N -2.28 5.70 0.18 3.32 1.04 -1.26 -4.88 113.70 115.52 1s1h s SER 170 Ca 0.71 0.79 -0.13 0.00 0.48 0.00 0.00 55.95 57.80 1s1h s SER 170 Cb -0.26 -1.82 0.11 0.00 0.10 0.00 0.00 66.02 64.15 1s1h s SER 170 CO 0.46 -1.00 1.81 0.11 0.98 0.00 0.00 173.24 175.60 1s1h h LYS 171 N -0.15 0.57 -0.43 4.02 1.57 -1.98 -1.33 116.57 118.84 1s1h h LYS 171 Ca -0.46 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.18 1s1h h LYS 171 Cb 1.25 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1s1h h LYS 171 CO 0.61 0.38 -0.18 1.49 -0.57 0.00 0.00 179.45 181.17 1s1h h GLU 172 N 0.58 0.82 -0.58 3.15 4.57 -1.98 -0.29 114.58 120.86 1s1h h GLU 172 Ca 0.21 -0.32 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 1s1h h GLU 172 Cb 0.05 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1s1h h GLU 172 CO -0.11 0.94 -0.01 -0.44 -1.18 0.00 0.00 179.01 178.21 1s1h h ASP 173 N 0.73 1.01 -0.25 1.04 3.32 -1.89 0.94 116.42 121.33 1s1h h ASP 173 Ca 0.11 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1s1h h ASP 173 Cb 0.70 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1s1h h ASP 173 CO 0.05 1.08 0.10 0.25 -1.72 0.00 0.00 179.24 179.00 1s1h h LEU 174 N 0.92 0.34 -0.14 1.55 5.85 -1.03 0.20 115.31 123.00 1s1h h LEU 174 Ca 0.16 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1s1h h LEU 174 Cb 0.56 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1s1h h LEU 174 CO 0.03 0.40 -0.11 0.22 -0.34 0.00 0.00 178.44 178.64 1s1h h TYR 175 N 0.25 -0.27 -1.00 1.25 3.20 -0.78 0.11 116.97 119.72 1s1h h TYR 175 Ca 0.08 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1s1h h TYR 175 Cb 0.17 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 1s1h h TYR 175 CO -0.01 -0.17 0.65 1.96 -1.64 0.00 0.00 178.16 178.95 1s1h h GLN 176 N -0.12 1.17 -0.47 1.82 1.08 -0.46 0.53 115.11 118.65 1s1h h GLN 176 Ca 0.09 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1s1h h GLN 176 Cb 0.25 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1s1h h GLN 176 CO -0.22 0.77 0.17 1.15 -0.95 0.00 0.00 178.83 179.76 1s1h h THR 177 N 1.20 1.22 -0.20 -0.54 2.02 0.41 -0.46 112.91 116.56 1s1h h THR 177 Ca 0.42 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.93 1s1h h THR 177 Cb 0.13 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1s1h h THR 177 CO -0.16 0.26 0.08 -0.26 0.37 0.00 0.00 175.52 175.81 1s1h h PHE 178 N 0.62 0.15 -0.78 3.16 0.04 0.30 -1.27 116.94 119.17 1s1h h PHE 178 Ca 0.16 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.98 1s1h h PHE 178 Cb 0.23 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.29 1s1h h PHE 178 CO 0.01 0.08 0.48 0.00 -0.60 0.00 0.00 178.31 178.28 1s1h h ALA 179 N 1.12 1.03 -0.52 2.45 0.00 -0.62 0.37 119.26 123.08 1s1h h ALA 179 Ca 0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1s1h h ALA 179 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1s1h h ALA 179 CO -0.08 0.26 0.07 0.00 0.00 0.00 0.00 179.25 179.50 1s1h h ARG 180 N 0.92 0.87 -0.70 0.00 3.08 -0.80 -1.62 114.38 116.13 1s1h h ARG 180 Ca 0.32 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1s1h h ARG 180 Cb 0.07 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1s1h h ARG 180 CO -0.13 0.86 0.34 1.15 -1.07 0.00 0.00 179.97 181.12 1s1h h THR 181 N 0.75 1.23 -0.57 2.04 2.02 -0.62 -0.50 112.91 117.27 1s1h h THR 181 Ca 0.16 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 1s1h h THR 181 Cb 0.42 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1s1h h THR 181 CO 0.01 0.27 0.12 0.58 0.37 0.00 0.00 175.52 176.87 1s1h h VAL 182 N 0.98 1.24 -0.29 3.16 2.07 -0.75 -2.14 116.25 120.52 1s1h h VAL 182 Ca 0.24 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1s1h h VAL 182 Cb 0.12 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1s1h h VAL 182 CO -0.03 0.33 0.00 -0.08 0.02 0.00 0.00 177.57 177.81 1s1h h GLU 183 N 0.85 0.50 -0.97 1.57 4.22 -0.73 -1.55 114.58 118.48 1s1h h GLU 183 Ca 0.18 -0.16 0.05 0.00 0.08 0.00 0.00 59.36 59.51 1s1h h GLU 183 Cb 0.33 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1s1h h GLU 183 CO 0.00 0.66 0.62 0.77 -2.18 0.00 0.00 179.01 178.88 1s1h h SER 184 N 0.29 1.01 -0.37 1.04 0.02 -0.86 -0.40 113.55 114.29 1s1h h SER 184 Ca 0.08 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1s1h h SER 184 Cb 0.43 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1s1h h SER 184 CO 0.01 0.67 0.05 0.58 -1.14 0.00 0.00 176.83 177.01 1s1h h VAL 185 N 1.17 1.24 0.00 2.27 2.07 -1.19 -2.83 116.25 118.97 1s1h h VAL 185 Ca 0.40 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1s1h h VAL 185 Cb 0.09 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1s1h h VAL 185 CO -0.15 0.29 0.00 0.78 0.02 0.00 0.00 177.57 178.51 1s1h h ASN 186 N 0.45 0.00 -0.02 0.57 2.35 -0.55 -0.80 115.58 117.58 1s1h h ASN 186 Ca 0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1s1h h ASN 186 Cb 0.37 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1s1h h ASN 186 CO 0.01 0.00 -0.00 0.58 -1.65 0.00 0.00 177.43 176.36 1s1h h VAL 187 N 0.00 1.29 -0.30 2.81 2.07 -0.85 0.72 116.25 121.99 1s1h h VAL 187 Ca 0.00 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1s1h h VAL 187 Cb 0.48 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1s1h h VAL 187 CO 0.00 0.23 0.17 0.40 0.02 0.00 0.00 177.57 178.40 1s1h h ILE 188 N -0.32 1.12 -0.03 4.57 2.04 -1.34 -1.70 117.51 121.85 1s1h h ILE 188 Ca 0.01 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1s1h h ILE 188 Cb 0.38 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1s1h h ILE 188 CO 0.00 0.12 0.01 0.58 0.00 0.00 0.00 178.15 178.87 1s1h h VAL 189 N 0.38 1.09 0.00 1.67 2.07 -1.10 -1.85 116.25 118.50 1s1h h VAL 189 Ca 0.11 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1s1h h VAL 189 Cb 0.04 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1s1h h VAL 189 CO -0.02 0.07 -0.09 0.77 0.02 0.00 0.00 177.57 178.33 1s1h h SER 190 N -0.07 0.00 0.19 0.57 4.64 -0.78 -0.95 113.55 117.15 1s1h h SER 190 Ca 0.01 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1s1h h SER 190 Cb 0.11 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1s1h h SER 190 CO -0.00 0.09 -1.23 0.74 -0.87 0.00 0.00 176.83 175.56 1s1h h THR 191 N 0.00 1.34 -0.01 2.95 2.02 -0.93 -3.39 112.91 114.89 1s1h h THR 191 Ca -0.00 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.60 1s1h h THR 191 Cb 0.26 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1s1h h THR 191 CO 0.01 0.76 -0.50 -1.22 0.37 0.00 0.00 175.52 174.95 1s1h n TYR 192 N -3.86 0.00 -2.74 3.16 4.01 -0.73 -4.99 117.16 112.01 1s1h n TYR 192 Ca -0.15 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.21 1s1h n TYR 192 Cb 0.99 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.96 1s1h n TYR 192 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s1h s ALA 193 N -2.14 3.24 0.28 -0.72 0.00 -0.38 -4.59 121.76 117.45 1s1h s ALA 193 Ca 0.10 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 1s1h s ALA 193 Cb 0.12 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 1s1h s ALA 193 CO 0.50 0.13 1.24 -0.51 0.00 0.00 0.00 175.76 177.12 1s1h s ASP 194 N -1.48 6.97 0.18 0.00 1.11 -1.26 -4.94 116.67 117.24 1s1h s ASP 194 Ca 0.49 2.47 -0.13 0.00 0.18 0.00 0.00 52.55 55.56 1s1h s ASP 194 Cb -0.21 -2.63 0.10 0.00 1.07 0.00 0.00 42.92 41.25 1s1h s ASP 194 CO 0.27 -0.41 1.84 -0.33 1.18 0.00 0.00 175.17 177.72 1s1h h GLU 195 N 4.09 0.74 -0.83 8.23 5.08 -1.95 -2.47 114.58 127.47 1s1h h GLU 195 Ca -0.47 -0.04 0.24 0.00 -1.00 0.00 0.00 59.36 58.09 1s1h h GLU 195 Cb 1.22 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1s1h h GLU 195 CO 0.69 0.49 0.77 0.28 -1.00 0.00 0.00 179.01 180.24 1s1h h VAL 196 N 0.76 0.29 0.00 3.13 2.07 -2.04 0.31 116.25 120.77 1s1h h VAL 196 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1s1h h VAL 196 Cb -0.06 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1s1h h VAL 196 CO -0.06 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.46 1s1h h LEU 197 N 0.00 0.00 0.00 2.57 4.07 -1.84 -3.50 115.31 116.62 1s1h h LEU 197 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 1s1h h LEU 197 Cb 1.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.67 1s1h h LEU 197 CO -0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 1s1h n GLY 198 N 0.97 -1.11 3.62 0.83 0.00 0.11 -4.75 105.19 104.85 1s1h n GLY 198 Ca 0.04 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 1s1h n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s1h s ASP 199 N -4.00 6.76 0.00 1.61 2.15 -1.26 -4.84 116.67 117.09 1s1h s ASP 199 Ca 0.00 0.72 0.17 0.00 0.43 0.00 0.00 52.55 53.87 1s1h s ASP 199 Cb 0.00 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.37 1s1h s ASP 199 CO 0.00 -1.07 1.21 0.55 -0.17 0.00 0.00 175.17 175.69 1s1h n VAL 200 N 6.38 0.48 -1.05 1.11 3.14 -1.26 -5.00 118.33 122.12 1s1h n VAL 200 Ca 0.12 -0.74 -0.32 0.00 -2.96 0.00 0.00 64.34 60.43 1s1h n VAL 200 Cb 0.48 0.95 0.13 0.00 -1.06 0.00 0.00 33.84 34.34 1s1h n VAL 200 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1s1h s GLN 201 N -1.22 1.59 -0.10 1.45 -0.21 -1.26 -4.73 119.66 115.18 1s1h s GLN 201 Ca 0.28 1.61 -0.07 0.00 0.02 0.00 0.00 55.36 57.19 1s1h s GLN 201 Cb 0.16 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 32.35 1s1h s GLN 201 CO 0.23 -2.22 0.17 0.08 -2.12 0.00 0.00 175.29 171.43 1s1h s VAL 202 N -2.39 5.46 -0.10 1.09 1.01 -1.26 -5.09 120.40 119.12 1s1h s VAL 202 Ca 0.70 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 1s1h s VAL 202 Cb -0.25 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1s1h s VAL 202 CO 0.53 0.60 -0.01 -0.31 0.00 0.00 0.00 175.10 175.90 1s1h s TYR 203 N -1.06 0.94 0.25 5.22 2.02 -1.26 -4.96 117.35 118.50 1s1h s TYR 203 Ca 0.17 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.43 1s1h s TYR 203 Cb -0.12 -0.95 0.45 0.00 -0.40 0.00 0.00 41.96 40.94 1s1h s TYR 203 CO 0.06 -0.41 1.80 -1.35 -1.57 0.00 0.00 175.55 174.08 1s1h h PRO 204 N 8.28 0.75 0.00 -1.71 0.11 -1.90 0.05 132.00 137.58 1s1h h PRO 204 Ca -0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1s1h h PRO 204 Cb 1.12 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1s1h h PRO 204 CO 0.31 0.50 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 1s1h n ALA 205 N -2.38 1.38 0.26 -0.75 0.00 -1.26 -1.50 120.51 116.26 1s1h n ALA 205 Ca 0.15 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.81 1s1h n ALA 205 Cb 0.33 -1.34 0.17 0.00 0.00 0.00 0.00 19.45 18.60 1s1h n ALA 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s1h n ARG 206 N -2.20 2.19 -0.93 0.00 1.74 -0.02 -4.50 116.66 112.94 1s1h n ARG 206 Ca 0.01 -2.02 0.00 0.00 -0.77 0.00 0.00 57.85 55.07 1s1h n ARG 206 Cb 0.14 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1s1h n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s1h n GLY 207 N 1.14 0.49 1.55 -0.13 0.00 -0.56 -4.94 105.19 102.74 1s1h n GLY 207 Ca 0.15 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.86 1s1h n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s1h n THR 208 N -2.93 1.89 -4.04 2.61 -2.24 -1.10 -4.74 114.28 103.73 1s1h n THR 208 Ca 0.00 -1.24 -0.19 0.00 -2.27 0.00 0.00 64.05 60.35 1s1h n THR 208 Cb 0.00 0.10 -0.16 0.00 -2.10 0.00 0.00 70.33 68.17 1s1h n THR 208 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1s1h s VAL 209 N -1.92 0.40 0.28 2.28 1.01 -1.26 -1.96 120.40 119.23 1s1h s VAL 209 Ca 0.50 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.56 1s1h s VAL 209 Cb 0.33 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1s1h s VAL 209 CO 0.23 0.20 0.01 0.00 0.00 0.00 0.00 175.10 175.55 1s1h s ALA 210 N 1.09 3.21 -0.02 5.51 0.00 0.18 -4.43 121.76 127.29 1s1h s ALA 210 Ca -0.09 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.20 1s1h s ALA 210 Cb -0.14 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.25 1s1h s ALA 210 CO -0.01 0.23 -0.04 -0.06 0.00 0.00 0.00 175.76 175.87 1s1h s PHE 211 N -2.35 0.55 -0.38 0.00 0.08 0.29 -0.50 117.98 115.67 1s1h s PHE 211 Ca 0.32 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.26 1s1h s PHE 211 Cb -0.06 -0.46 0.00 0.00 -0.57 0.00 0.00 43.02 41.93 1s1h s PHE 211 CO 0.20 -0.10 0.00 0.41 -0.10 0.00 0.00 175.22 175.63 1s1h n GLY 212 N 3.59 -0.85 2.64 4.36 0.00 -0.56 -0.12 105.19 114.26 1s1h n GLY 212 Ca -0.21 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 1s1h n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s1h s SER 213 N -4.00 3.11 0.12 1.61 0.15 0.11 -1.40 113.70 113.40 1s1h s SER 213 Ca 0.00 -1.02 -0.23 0.00 0.70 0.00 0.00 55.95 55.40 1s1h s SER 213 Cb 0.00 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.80 1s1h s SER 213 CO 0.00 -0.37 1.67 1.23 1.20 0.00 0.00 173.24 176.97 1s1h h GLY 214 N 8.32 -0.13 0.97 9.45 0.00 -1.93 0.15 103.07 119.90 1s1h h GLY 214 Ca -0.17 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1s1h h GLY 214 CO 0.37 -0.15 0.22 -2.00 0.00 0.00 0.00 176.54 174.99 1s1h h LEU 215 N -0.21 0.47 -0.44 3.11 5.85 -1.93 -2.71 115.31 119.45 1s1h h LEU 215 Ca 0.07 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1s1h h LEU 215 Cb 0.32 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1s1h h LEU 215 CO -0.20 0.41 0.28 0.45 -0.34 0.00 0.00 178.44 179.05 1s1h h HIS 216 N 0.50 0.53 0.00 1.25 3.86 -1.95 -3.47 115.15 115.87 1s1h h HIS 216 Ca 0.14 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1s1h h HIS 216 Cb 0.03 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.32 1s1h h HIS 216 CO -0.03 0.33 0.00 0.41 0.86 0.00 0.00 177.93 179.50 1s1h n GLY 217 N -1.22 1.72 3.09 2.45 0.00 0.49 -4.81 105.19 106.92 1s1h n GLY 217 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1s1h n GLY 217 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1s1h s TRP 218 N -2.00 0.72 -0.09 1.61 1.48 -1.04 -2.43 118.94 117.20 1s1h s TRP 218 Ca 0.00 -0.63 -0.31 0.00 -1.06 0.00 0.00 56.10 54.10 1s1h s TRP 218 Cb 0.00 -0.43 0.12 0.00 -1.16 0.00 0.00 33.47 32.00 1s1h s TRP 218 CO 0.00 -0.11 1.02 0.00 -4.06 0.00 0.00 176.95 173.80 1s1h s ALA 219 N -2.06 -1.93 0.15 2.67 0.00 -0.56 0.06 121.76 120.09 1s1h s ALA 219 Ca -0.04 1.31 -0.14 0.00 0.00 0.00 0.00 51.96 53.10 1s1h s ALA 219 Cb -0.05 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1s1h s ALA 219 CO -0.01 -0.60 0.37 -0.59 0.00 0.00 0.00 175.76 174.93 1s1h s PHE 220 N -2.58 0.03 0.33 0.00 -0.12 0.83 -4.44 117.98 112.03 1s1h s PHE 220 Ca 0.06 -0.38 0.10 0.00 -0.05 0.00 0.00 56.93 56.66 1s1h s PHE 220 Cb -0.01 0.17 -0.06 0.00 -0.63 0.00 0.00 43.02 42.49 1s1h s PHE 220 CO -0.06 -0.74 -0.12 0.95 -0.05 0.00 0.00 175.22 175.20 1s1h s THR 221 N -3.87 2.34 0.34 -4.49 -4.23 -1.26 -0.55 115.64 103.92 1s1h s THR 221 Ca 0.09 -2.24 0.11 0.00 -1.18 0.00 0.00 61.69 58.46 1s1h s THR 221 Cb 0.02 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.36 1s1h s THR 221 CO -0.06 -0.25 1.77 0.40 -0.54 0.00 0.00 174.62 175.93 1s1h h ILE 222 N 2.07 1.30 -0.80 2.99 1.08 -1.77 -2.83 117.51 119.55 1s1h h ILE 222 Ca -0.42 -1.43 -0.02 0.00 -0.39 0.00 0.00 64.86 62.60 1s1h h ILE 222 Cb 1.25 1.73 -0.04 0.00 -3.07 0.00 0.00 36.82 36.70 1s1h h ILE 222 CO 0.67 0.41 0.42 -0.09 -0.69 0.00 0.00 178.15 178.88 1s1h h ARG 223 N 0.05 1.12 -0.69 2.37 2.43 -1.92 0.10 114.38 117.84 1s1h h ARG 223 Ca 0.00 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 1s1h h ARG 223 Cb 0.75 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1s1h h ARG 223 CO 0.06 0.83 0.16 1.96 -1.51 0.00 0.00 179.97 181.47 1s1h h GLN 224 N 1.12 1.11 -0.04 0.20 4.20 -1.91 -0.22 115.11 119.58 1s1h h GLN 224 Ca 0.28 -0.27 -0.19 0.00 0.06 0.00 0.00 58.65 58.54 1s1h h GLN 224 Cb 0.05 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1s1h h GLN 224 CO -0.04 0.99 -0.78 0.74 -0.67 0.00 0.00 178.83 179.06 1s1h h PHE 225 N 1.04 0.41 -0.66 2.96 0.04 -1.45 -0.96 116.94 118.31 1s1h h PHE 225 Ca 0.22 -0.20 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1s1h h PHE 225 Cb 0.38 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 1s1h h PHE 225 CO 0.03 0.96 0.25 0.00 -0.60 0.00 0.00 178.31 178.95 1s1h h ALA 226 N 0.98 1.19 -0.37 2.45 0.00 -0.50 0.88 119.26 123.89 1s1h h ALA 226 Ca -0.04 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1s1h h ALA 226 Cb 1.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1s1h h ALA 226 CO 0.13 0.58 -0.28 1.15 0.00 0.00 0.00 179.25 180.83 1s1h h THR 227 N 0.96 1.28 0.00 0.00 2.02 -0.89 0.15 112.91 116.43 1s1h h THR 227 Ca 0.22 -1.44 -0.04 0.00 0.77 0.00 0.00 66.41 65.92 1s1h h THR 227 Cb 0.21 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1s1h h THR 227 CO -0.02 0.48 -0.20 -0.09 0.37 0.00 0.00 175.52 176.06 1s1h h ARG 228 N 0.63 0.00 -0.00 6.66 2.43 -0.34 -3.30 114.38 120.46 1s1h h ARG 228 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1s1h h ARG 228 Cb 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1s1h h ARG 228 CO 0.07 0.20 -0.20 0.66 -1.51 0.00 0.00 179.97 179.19 1s1h n TYR 229 N -3.69 0.00 -0.14 2.20 4.01 0.23 -4.67 117.16 115.09 1s1h n TYR 229 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.69 1s1h n TYR 229 Cb 0.32 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.39 1s1h n TYR 229 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s1h h ALA 230 N 0.71 0.46 0.00 -0.72 0.00 -0.77 -1.34 119.26 117.60 1s1h h ALA 230 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1s1h h ALA 230 Cb 0.12 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1s1h h ALA 230 CO 0.00 -0.36 -0.57 0.87 0.00 0.00 0.00 179.25 179.19 1s1h h LYS 231 N 0.16 0.00 -0.07 0.00 1.57 -1.79 -0.35 116.57 116.10 1s1h h LYS 231 Ca 0.22 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1s1h h LYS 231 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1s1h h LYS 231 CO -0.34 0.57 -0.54 0.87 -0.57 0.00 0.00 179.45 179.45 1s1h h LYS 232 N 0.00 0.20 -0.01 3.15 1.57 -1.63 -2.87 116.57 116.98 1s1h h LYS 232 Ca -0.01 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1s1h h LYS 232 Cb 1.07 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1s1h h LYS 232 CO 0.07 0.68 -0.36 1.19 -0.57 0.00 0.00 179.45 180.47 1s1h n PHE 233 N -3.92 0.00 -3.23 -1.35 3.72 -0.58 -4.96 117.46 107.13 1s1h n PHE 233 Ca -0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 1s1h n PHE 233 Cb 0.56 -0.07 0.05 0.00 -0.94 0.00 0.00 39.48 39.09 1s1h n PHE 233 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s1h n GLY 234 N 1.37 -0.06 3.07 1.37 0.00 -0.68 -5.03 105.19 105.23 1s1h n GLY 234 Ca 0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1s1h n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s1h s VAL 235 N -3.22 0.31 0.35 1.61 1.01 -0.23 -5.03 120.40 115.20 1s1h s VAL 235 Ca 0.38 -1.53 -0.27 0.00 0.00 0.00 0.00 61.98 60.57 1s1h s VAL 235 Cb -0.17 -1.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.98 1s1h s VAL 235 CO 0.49 -0.79 1.10 1.51 0.00 0.00 0.00 175.10 177.41 1s1h s ASP 236 N -2.43 6.94 0.62 3.32 1.47 -1.26 -4.20 116.67 121.12 1s1h s ASP 236 Ca 0.00 2.21 0.32 0.00 1.18 0.00 0.00 52.55 56.26 1s1h s ASP 236 Cb 0.01 -2.61 1.79 0.00 -0.34 0.00 0.00 42.92 41.77 1s1h s ASP 236 CO -0.06 -0.37 2.11 0.07 0.68 0.00 0.00 175.17 177.60 1s1h h LYS 237 N 3.12 0.00 -0.55 2.11 2.10 -1.89 -0.27 116.57 121.19 1s1h h LYS 237 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1s1h h LYS 237 Cb 1.22 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.52 1s1h h LYS 237 CO 0.64 0.00 0.35 0.00 -2.00 0.00 0.00 179.45 178.45 1s1h h ALA 238 N 1.71 0.70 -0.26 0.07 0.00 -1.93 0.34 119.26 119.90 1s1h h ALA 238 Ca 0.06 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1s1h h ALA 238 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1s1h h ALA 238 CO -0.00 0.16 -0.49 -0.22 0.00 0.00 0.00 179.25 178.70 1s1h h LYS 239 N 0.75 0.70 -0.48 0.00 1.63 -1.44 -3.15 116.57 114.58 1s1h h LYS 239 Ca 0.20 -0.41 -0.06 0.00 -0.85 0.00 0.00 60.65 59.53 1s1h h LYS 239 Cb -0.06 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 1s1h h LYS 239 CO -0.04 1.03 0.07 0.52 -3.45 0.00 0.00 179.45 177.58 1s1h h MET 240 N 0.55 0.80 0.00 1.90 2.86 -0.83 -2.44 114.93 117.78 1s1h h MET 240 Ca 0.03 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1s1h h MET 240 Cb 1.05 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 1s1h h MET 240 CO 0.10 0.81 -0.09 0.00 1.06 0.00 0.00 176.91 178.79 1s1h h MET 241 N 0.67 0.00 0.01 1.72 -0.00 -0.35 -0.23 114.93 116.76 1s1h h MET 241 Ca 0.14 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 59.65 1s1h h MET 241 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.98 1s1h h MET 241 CO 0.01 0.09 -0.92 -0.44 -0.00 0.00 0.00 176.91 175.65 1s1h h ASP 242 N 0.00 0.12 1.83 -0.10 3.32 -1.47 -3.23 116.42 116.89 1s1h h ASP 242 Ca -0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1s1h h ASP 242 Cb 0.45 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1s1h h ASP 242 CO 0.01 0.98 -0.05 0.03 -1.72 0.00 0.00 179.24 178.49 1s1h h ARG 243 N 0.04 0.00 -0.35 3.56 3.08 -0.77 -3.29 114.38 116.64 1s1h h ARG 243 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1s1h h ARG 243 Cb 1.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.65 1s1h h ARG 243 CO 0.13 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.31 1s1h n LEU 244 N -2.89 1.84 -3.85 3.04 4.77 -0.21 -4.47 117.00 115.24 1s1h n LEU 244 Ca 0.04 -0.92 -0.11 0.00 -0.03 0.00 0.00 56.01 54.99 1s1h n LEU 244 Cb 0.51 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 1s1h n LEU 244 CO 0.33 0.44 -0.11 0.86 -1.33 0.00 0.00 177.39 177.59 1s1h s TRP 245 N -1.56 0.02 0.00 -1.77 -0.11 -1.24 -3.80 118.94 110.47 1s1h s TRP 245 Ca 0.22 -0.14 0.00 0.00 1.22 0.00 0.00 56.10 57.40 1s1h s TRP 245 Cb 0.12 -0.02 0.00 0.00 -1.50 0.00 0.00 33.47 32.07 1s1h s TRP 245 CO 0.15 -0.36 0.00 0.41 -4.62 0.00 0.00 176.95 172.53 1s1h n GLY 246 N 1.10 0.10 2.72 5.86 0.00 -1.26 -4.25 105.19 109.46 1s1h n GLY 246 Ca -0.21 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1s1h n GLY 246 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s1h n ASP 247 N -0.98 4.88 -4.13 1.61 8.00 -1.26 -4.68 116.55 119.99 1s1h n ASP 247 Ca 0.00 -2.91 -0.28 0.00 0.71 0.00 0.00 54.79 52.30 1s1h n ASP 247 Cb 0.00 -1.58 -0.17 0.00 -0.02 0.00 0.00 41.12 39.35 1s1h n ASP 247 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1s1h s SER 248 N 2.24 2.43 -0.06 -2.24 0.01 -1.26 -4.33 113.70 110.50 1s1h s SER 248 Ca 0.47 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.32 1s1h s SER 248 Cb 0.13 -1.04 0.02 0.00 0.21 0.00 0.00 66.02 65.35 1s1h s SER 248 CO -0.06 0.11 -0.06 -0.36 0.41 0.00 0.00 173.24 173.29 1s1h s PHE 249 N 0.40 0.93 -0.31 2.43 0.08 0.31 -1.00 117.98 120.83 1s1h s PHE 249 Ca -0.14 -0.31 -0.11 0.00 0.12 0.00 0.00 56.93 56.49 1s1h s PHE 249 Cb -0.16 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.47 1s1h s PHE 249 CO 0.06 -0.25 0.18 0.12 -0.10 0.00 0.00 175.22 175.23 1s1h s PHE 250 N 1.06 3.19 -0.44 0.36 5.36 -1.26 -0.64 117.98 125.61 1s1h s PHE 250 Ca -0.09 -0.32 -0.20 0.00 -0.96 0.00 0.00 56.93 55.36 1s1h s PHE 250 Cb -0.14 -2.39 0.03 0.00 -0.34 0.00 0.00 43.02 40.18 1s1h s PHE 250 CO -0.01 -0.36 0.61 1.21 -1.46 0.00 0.00 175.22 175.21 1s1h s ASN 251 N 1.67 6.29 0.42 6.13 3.84 -0.54 -4.87 114.94 127.90 1s1h s ASN 251 Ca 0.06 -0.44 0.12 0.00 0.21 0.00 0.00 52.86 52.81 1s1h s ASN 251 Cb -0.17 -2.30 0.97 0.00 -0.55 0.00 0.00 41.25 39.20 1s1h s ASN 251 CO 0.08 -0.76 1.97 -0.65 -2.79 0.00 0.00 177.10 174.96 1s1h h PRO 252 N 8.86 0.47 -0.31 0.43 0.11 -1.96 0.58 132.00 140.18 1s1h h PRO 252 Ca -0.26 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 1s1h h PRO 252 Cb 1.10 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1s1h h PRO 252 CO 0.88 0.31 -0.17 0.87 -0.21 0.00 0.00 178.00 179.68 1s1h h LYS 253 N 0.48 0.56 0.00 1.05 1.57 -1.97 -3.18 116.57 115.08 1s1h h LYS 253 Ca 0.29 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1s1h h LYS 253 Cb 0.51 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1s1h h LYS 253 CO -0.09 0.71 -1.34 0.25 -0.57 0.00 0.00 179.45 178.41 1s1h n THR 254 N -4.16 0.00 -1.74 -0.16 -2.24 -0.87 -4.97 114.28 100.14 1s1h n THR 254 Ca 0.00 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 1s1h n THR 254 Cb 0.37 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 1s1h n THR 254 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1s1h n LYS 255 N -1.78 -1.08 -4.36 -0.78 4.76 0.20 -5.00 118.16 110.12 1s1h n LYS 255 Ca 0.00 0.91 -0.27 0.00 -2.87 0.00 0.00 58.31 56.08 1s1h n LYS 255 Cb 0.38 -5.11 -0.13 0.00 -1.84 0.00 0.00 35.03 28.34 1s1h n LYS 255 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1s1h s LYS 256 N -3.79 1.32 -0.13 1.97 1.02 -1.19 -4.93 119.74 114.01 1s1h s LYS 256 Ca 0.00 -1.31 -0.14 0.00 0.02 0.00 0.00 55.97 54.54 1s1h s LYS 256 Cb 0.00 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 1s1h s LYS 256 CO 0.00 0.39 0.32 -1.58 -0.92 0.00 0.00 175.35 173.56 1s1h s TRP 257 N -1.23 3.52 0.24 3.18 0.52 -1.26 -1.46 118.94 122.45 1s1h s TRP 257 Ca 0.12 0.68 0.01 0.00 0.02 0.00 0.00 56.10 56.93 1s1h s TRP 257 Cb -0.09 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.86 1s1h s TRP 257 CO 0.06 0.33 0.16 -0.08 0.02 0.00 0.00 176.95 177.44 1s1h s THR 258 N 0.15 0.06 -1.63 2.01 -1.32 0.19 -4.96 115.64 110.13 1s1h s THR 258 Ca 0.18 -2.00 0.15 0.00 -1.21 0.00 0.00 61.69 58.82 1s1h s THR 258 Cb -0.14 -2.51 0.29 0.00 -1.51 0.00 0.00 72.50 68.63 1s1h s THR 258 CO 0.06 0.00 1.19 0.59 -2.21 0.00 0.00 174.62 174.25 1s1h n ASN 259 N -0.61 2.83 -4.71 8.08 3.02 -1.26 -0.53 115.26 122.09 1s1h n ASN 259 Ca 0.03 -1.84 -0.36 0.00 -0.03 0.00 0.00 54.58 52.38 1s1h n ASN 259 Cb 0.65 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.57 1s1h n ASN 259 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1s1h s LYS 260 N -1.15 4.20 0.00 3.52 1.02 -1.26 -4.81 119.74 121.26 1s1h s LYS 260 Ca 0.26 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1s1h s LYS 260 Cb 0.15 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1s1h s LYS 260 CO 0.21 0.17 0.78 -0.40 -0.92 0.00 0.00 175.35 175.19 1s1h n ASP 261 N 3.83 0.16 -3.99 2.83 5.68 -1.26 -4.75 116.55 119.05 1s1h n ASP 261 Ca -0.13 -1.72 -0.08 0.00 -0.50 0.00 0.00 54.79 52.36 1s1h n ASP 261 Cb 0.52 -0.08 -0.10 0.00 -1.14 0.00 0.00 41.12 40.32 1s1h n ASP 261 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1s1h s THR 262 N -1.81 0.16 0.23 2.12 -4.23 -1.26 -0.74 115.64 110.11 1s1h s THR 262 Ca 0.00 -1.30 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 1s1h s THR 262 Cb 0.00 -0.98 0.05 0.00 1.34 0.00 0.00 72.50 72.91 1s1h s THR 262 CO 0.00 -0.71 0.32 -0.90 -0.54 0.00 0.00 174.62 172.78 1s1h n ASP 263 N 0.70 0.29 -0.20 3.99 5.75 -0.26 -4.87 116.55 121.95 1s1h n ASP 263 Ca -0.18 -1.28 0.05 0.00 -0.01 0.00 0.00 54.79 53.36 1s1h n ASP 263 Cb 0.59 -0.22 0.31 0.00 -1.03 0.00 0.00 41.12 40.77 1s1h n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s1h h ALA 264 N -0.89 1.62 -0.00 2.12 0.00 -2.00 -0.43 119.26 119.67 1s1h h ALA 264 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1s1h h ALA 264 Cb 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1s1h h ALA 264 CO 0.10 0.29 -0.01 0.39 0.00 0.00 0.00 179.25 180.01 1s1h n GLU 265 N -4.47 0.91 -0.62 0.00 4.71 -1.26 -4.90 120.64 115.00 1s1h n GLU 265 Ca 0.10 -0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1s1h n GLU 265 Cb 0.17 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 1s1h n GLU 265 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s1h n GLY 266 N 1.11 0.76 3.77 0.62 0.00 -0.17 -5.05 105.19 106.23 1s1h n GLY 266 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1s1h n GLY 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1h s LYS 267 N -0.38 4.31 0.24 1.61 1.02 -1.26 -4.67 119.74 120.61 1s1h s LYS 267 Ca 0.00 1.59 -0.31 0.00 0.02 0.00 0.00 55.97 57.27 1s1h s LYS 267 Cb 0.00 -2.74 -0.11 0.00 -0.52 0.00 0.00 37.83 34.46 1s1h s LYS 267 CO 0.00 -0.03 1.57 -2.14 -0.92 0.00 0.00 175.35 173.84 1s1h s PRO 268 N -2.17 4.18 -0.06 -1.68 0.02 -1.26 -1.10 135.00 132.92 1s1h s PRO 268 Ca 0.54 2.47 0.02 0.00 0.02 0.00 0.00 61.00 64.05 1s1h s PRO 268 Cb -0.25 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 1s1h s PRO 268 CO 0.31 -0.60 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.76 1s1h s LEU 269 N 0.16 2.88 -0.01 -5.54 1.43 0.08 -4.88 118.68 112.80 1s1h s LEU 269 Ca 0.66 -0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.34 1s1h s LEU 269 Cb -0.46 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1s1h s LEU 269 CO 0.41 0.34 0.86 -0.70 0.23 0.00 0.00 176.35 177.49 1s1h s GLU 270 N -0.69 4.52 0.33 1.70 2.12 -1.26 -4.81 118.70 120.62 1s1h s GLU 270 Ca 0.10 1.20 -0.27 0.00 0.36 0.00 0.00 54.97 56.37 1s1h s GLU 270 Cb -0.11 -3.44 -0.13 0.00 0.26 0.00 0.00 34.13 30.71 1s1h s GLU 270 CO 0.01 0.05 1.04 -2.13 -0.54 0.00 0.00 175.26 173.69 1s1h n ARG 271 N 3.65 1.46 -0.12 4.30 0.63 -1.26 -4.37 116.66 120.94 1s1h n ARG 271 Ca 0.02 0.51 -0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1s1h n ARG 271 Cb 0.51 -1.96 0.26 0.00 0.45 0.00 0.00 32.46 31.72 1s1h n ARG 271 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1s1h h ALA 272 N 1.94 1.40 -0.64 5.13 0.00 -1.31 0.42 119.26 126.20 1s1h h ALA 272 Ca -0.42 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.40 1s1h h ALA 272 Cb 1.33 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1s1h h ALA 272 CO 0.60 0.47 0.39 0.35 0.00 0.00 0.00 179.25 181.06 1s1h h PHE 273 N 0.79 0.74 -0.14 0.00 3.57 -1.78 0.31 116.94 120.42 1s1h h PHE 273 Ca 0.19 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 1s1h h PHE 273 Cb 0.11 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1s1h h PHE 273 CO 0.01 0.42 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.41 1s1h h ASN 274 N 0.77 0.40 -0.46 0.41 4.21 -1.72 -1.56 115.58 117.63 1s1h h ASN 274 Ca 0.26 -0.51 -0.05 0.00 1.21 0.00 0.00 56.30 57.21 1s1h h ASN 274 Cb 0.03 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.10 1s1h h ASN 274 CO -0.11 0.83 0.09 -0.03 -1.29 0.00 0.00 177.43 176.93 1s1h h MET 275 N -0.02 0.75 0.00 0.81 4.05 -0.67 0.20 114.93 120.04 1s1h h MET 275 Ca 0.02 -0.19 -0.05 0.00 -0.28 0.00 0.00 59.70 59.19 1s1h h MET 275 Cb 0.74 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1s1h h MET 275 CO 0.04 0.76 -1.88 1.19 0.23 0.00 0.00 176.91 177.25 1s1h n PHE 276 N -4.47 0.00 -0.07 1.39 3.72 0.08 -4.40 117.46 113.70 1s1h n PHE 276 Ca 0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 1s1h n PHE 276 Cb 0.23 -0.48 -0.04 0.00 -0.94 0.00 0.00 39.48 38.25 1s1h n PHE 276 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1s1h n ILE 277 N -2.21 1.28 -0.08 4.37 5.41 -0.67 -4.60 119.36 122.87 1s1h n ILE 277 Ca -0.07 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.56 1s1h n ILE 277 Cb 0.57 -1.98 0.01 0.00 -0.71 0.00 0.00 39.64 37.53 1s1h n ILE 277 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1s1h h LEU 278 N -0.72 0.89 -0.18 1.39 3.38 -1.31 -3.28 115.31 115.49 1s1h h LEU 278 Ca -0.22 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.37 1s1h h LEU 278 Cb 1.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1s1h h LEU 278 CO -0.13 1.18 -0.05 -0.78 0.09 0.00 0.00 178.44 178.75 1s1h h ASP 279 N 0.67 -0.17 -0.79 -0.43 3.58 -1.16 0.63 116.42 118.75 1s1h h ASP 279 Ca 0.05 0.05 0.08 0.00 0.42 0.00 0.00 57.03 57.64 1s1h h ASP 279 Cb 0.98 0.11 -0.07 0.00 1.72 0.00 0.00 39.33 42.08 1s1h h ASP 279 CO 0.09 -0.06 0.45 -0.65 -2.88 0.00 0.00 179.24 176.19 1s1h h PRO 280 N -0.01 0.76 -0.43 0.28 0.11 -1.81 -0.44 132.00 130.46 1s1h h PRO 280 Ca 0.09 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.00 1s1h h PRO 280 Cb 0.14 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1s1h h PRO 280 CO -0.18 0.50 -0.32 0.82 -0.21 0.00 0.00 178.00 178.61 1s1h h ILE 281 N 0.78 1.27 -0.49 4.15 2.04 -1.51 -2.07 117.51 121.68 1s1h h ILE 281 Ca 0.37 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 1s1h h ILE 281 Cb 0.30 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1s1h h ILE 281 CO -0.23 0.50 0.23 -0.26 0.00 0.00 0.00 178.15 178.40 1s1h h PHE 282 N 0.81 0.70 -0.17 1.37 -1.00 -0.31 -1.85 116.94 116.48 1s1h h PHE 282 Ca 0.08 -0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 1s1h h PHE 282 Cb 0.91 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.24 1s1h h PHE 282 CO 0.06 0.56 -0.24 0.00 -1.61 0.00 0.00 178.31 177.08 1s1h h ARG 283 N 0.64 0.31 -0.03 1.51 3.08 -1.03 0.08 114.38 118.95 1s1h h ARG 283 Ca 0.17 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1s1h h ARG 283 Cb 0.12 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1s1h h ARG 283 CO -0.02 0.54 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.35 1s1h h LEU 284 N 0.28 0.05 0.17 3.04 3.38 -1.10 0.16 115.31 121.29 1s1h h LEU 284 Ca 0.05 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1s1h h LEU 284 Cb 0.58 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1s1h h LEU 284 CO 0.04 0.37 -0.22 -0.26 0.09 0.00 0.00 178.44 178.46 1s1h h PHE 285 N -0.28 -0.58 -0.10 1.13 0.04 -1.12 -0.37 116.94 115.66 1s1h h PHE 285 Ca 0.01 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.80 1s1h h PHE 285 Cb 0.35 0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 1s1h h PHE 285 CO 0.04 -0.32 -0.03 1.15 -0.60 0.00 0.00 178.31 178.55 1s1h h THR 286 N -0.45 0.89 -0.50 -1.55 2.02 -0.98 0.86 112.91 113.21 1s1h h THR 286 Ca 0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1s1h h THR 286 Cb 0.44 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1s1h h THR 286 CO -0.09 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.01 1s1h h ALA 287 N 1.08 0.65 -0.03 6.16 0.00 -0.85 -1.94 119.26 124.33 1s1h h ALA 287 Ca 0.05 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1s1h h ALA 287 Cb 0.08 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1s1h h ALA 287 CO -0.11 0.25 -0.59 0.82 0.00 0.00 0.00 179.25 179.63 1s1h h ILE 288 N 0.66 1.40 0.00 0.00 2.04 -0.97 -1.07 117.51 119.58 1s1h h ILE 288 Ca 0.17 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 64.03 1s1h h ILE 288 Cb 0.19 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1s1h h ILE 288 CO -0.01 0.59 0.00 0.24 0.00 0.00 0.00 178.15 178.97 1s1h h MET 289 N -0.01 0.00 -0.58 2.37 2.86 -0.86 -2.54 114.93 116.17 1s1h h MET 289 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1s1h h MET 289 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1s1h h MET 289 CO 0.12 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.18 1s1h n ASN 290 N -3.00 4.85 -3.99 1.22 4.13 -0.73 -4.93 115.26 112.82 1s1h n ASN 290 Ca 0.01 -2.60 -0.26 0.00 1.68 0.00 0.00 54.58 53.41 1s1h n ASN 290 Cb 0.31 -0.59 -0.03 0.00 -1.54 0.00 0.00 39.78 37.93 1s1h n ASN 290 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1s1h n PHE 291 N 0.83 -1.60 -2.28 3.10 3.72 -0.96 -4.85 117.46 115.42 1s1h n PHE 291 Ca 0.25 0.72 -0.43 0.00 -0.05 0.00 0.00 57.45 57.95 1s1h n PHE 291 Cb 0.95 -3.62 0.00 0.00 -0.94 0.00 0.00 39.48 35.87 1s1h n PHE 291 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1s1h n LYS 292 N -4.42 3.47 -0.57 -1.08 5.02 -0.41 -4.84 118.16 115.33 1s1h n LYS 292 Ca -0.31 -3.39 0.45 0.00 -2.02 0.00 0.00 58.31 53.04 1s1h n LYS 292 Cb 0.69 -3.00 0.71 0.00 -0.02 0.00 0.00 35.03 33.41 1s1h n LYS 292 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1s1h n LYS 293 N 4.41 -0.02 -0.02 1.97 2.85 -1.26 -1.09 118.16 125.00 1s1h n LYS 293 Ca 0.42 1.09 -0.13 0.00 -1.05 0.00 0.00 58.31 58.64 1s1h n LYS 293 Cb 0.37 -2.33 -0.14 0.00 -0.65 0.00 0.00 35.03 32.28 1s1h n LYS 293 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1s1h n ASP 294 N -4.15 1.24 -0.02 -5.58 8.00 -1.26 -4.37 116.55 110.41 1s1h n ASP 294 Ca 0.40 0.32 -0.16 0.00 0.71 0.00 0.00 54.79 56.06 1s1h n ASP 294 Cb 1.71 -0.27 -0.09 0.00 -0.02 0.00 0.00 41.12 42.46 1s1h n ASP 294 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1s1h h GLU 295 N 0.02 0.54 -0.74 -1.24 5.08 -1.51 -3.35 114.58 113.38 1s1h h GLU 295 Ca -0.35 -0.46 0.14 0.00 -1.00 0.00 0.00 59.36 57.69 1s1h h GLU 295 Cb 2.03 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 31.25 1s1h h GLU 295 CO 0.08 1.09 -0.28 0.82 -1.00 0.00 0.00 179.01 179.72 1s1h h ILE 296 N 0.15 0.17 -0.56 3.13 2.04 -1.58 -1.39 117.51 119.45 1s1h h ILE 296 Ca -0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1s1h h ILE 296 Cb 1.21 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1s1h h ILE 296 CO 0.12 0.00 0.22 -0.65 0.00 0.00 0.00 178.15 177.84 1s1h h PRO 297 N -0.07 0.40 0.28 2.37 0.11 -1.78 0.49 132.00 133.81 1s1h h PRO 297 Ca 0.31 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 1s1h h PRO 297 Cb 0.57 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1s1h h PRO 297 CO -0.78 0.27 -0.13 0.28 -0.21 0.00 0.00 178.00 177.42 1s1h h VAL 298 N 0.41 0.73 -0.31 3.15 2.07 -1.46 0.16 116.25 121.01 1s1h h VAL 298 Ca 0.27 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.83 1s1h h VAL 298 Cb 0.30 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1s1h h VAL 298 CO -0.26 0.01 -0.02 0.25 0.02 0.00 0.00 177.57 177.56 1s1h h LEU 299 N -0.39 -0.17 -0.08 2.57 5.85 -0.93 0.35 115.31 122.51 1s1h h LEU 299 Ca -0.04 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1s1h h LEU 299 Cb 0.30 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1s1h h LEU 299 CO 0.06 -0.05 0.00 -0.07 -0.34 0.00 0.00 178.44 178.04 1s1h h LEU 300 N 0.06 -0.02 -1.34 2.25 4.07 -0.74 -1.77 115.31 117.82 1s1h h LEU 300 Ca 0.15 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.13 1s1h h LEU 300 Cb 0.21 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 1s1h h LEU 300 CO -0.27 0.00 0.38 -0.08 -1.08 0.00 0.00 178.44 177.39 1s1h h GLU 301 N 0.03 0.83 -0.04 1.13 4.81 -0.53 0.50 114.58 121.31 1s1h h GLU 301 Ca 0.03 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1s1h h GLU 301 Cb 0.04 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1s1h h GLU 301 CO -0.06 0.57 -0.43 0.87 -0.73 0.00 0.00 179.01 179.24 1s1h h LYS 302 N 0.85 0.09 -0.60 1.92 1.57 -0.51 -2.63 116.57 117.26 1s1h h LYS 302 Ca 0.22 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1s1h h LYS 302 Cb -0.05 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1s1h h LYS 302 CO -0.04 0.50 0.00 1.28 -0.57 0.00 0.00 179.45 180.62 1s1h n LEU 303 N -4.02 3.23 -3.87 2.94 4.77 -0.71 -4.93 117.00 114.41 1s1h n LEU 303 Ca -0.02 -1.61 -0.29 0.00 -0.03 0.00 0.00 56.01 54.06 1s1h n LEU 303 Cb 0.47 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1s1h n LEU 303 CO 0.40 0.78 0.11 -0.62 -1.33 0.00 0.00 177.39 176.73 1s1h n GLU 304 N 1.20 -5.73 -3.58 3.23 1.02 -0.52 -4.95 120.64 111.31 1s1h n GLU 304 Ca 0.20 0.62 -0.39 0.00 -0.02 0.00 0.00 57.16 57.57 1s1h n GLU 304 Cb 0.52 -5.50 -0.11 0.00 -0.02 0.00 0.00 31.44 26.32 1s1h n GLU 304 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1s1h s ILE 305 N -3.33 5.21 -0.20 -3.67 -1.09 0.05 -5.02 121.20 113.15 1s1h s ILE 305 Ca 0.60 -0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.98 1s1h s ILE 305 Cb -0.30 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 1s1h s ILE 305 CO 0.82 0.16 -0.06 0.68 -1.23 0.00 0.00 174.94 175.31 1s1h s VAL 306 N 1.73 3.29 0.05 2.92 -7.23 -1.26 -4.37 120.40 115.53 1s1h s VAL 306 Ca 0.07 -0.53 -0.17 0.00 -1.81 0.00 0.00 61.98 59.53 1s1h s VAL 306 Cb -0.16 -2.48 -0.06 0.00 0.56 0.00 0.00 36.38 34.24 1s1h s VAL 306 CO 0.10 0.45 0.50 -0.76 -0.31 0.00 0.00 175.10 175.08 1s1h s LEU 307 N 1.26 4.50 0.02 1.32 1.43 -1.26 -5.08 118.68 120.87 1s1h s LEU 307 Ca 0.03 1.14 0.05 0.00 -1.03 0.00 0.00 54.13 54.32 1s1h s LEU 307 Cb -0.14 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 1s1h s LEU 307 CO -0.02 0.29 -0.16 -1.59 0.23 0.00 0.00 176.35 175.10 1s1h s LYS 308 N -1.13 1.14 7.42 1.70 -2.85 -1.26 -4.79 119.74 119.97 1s1h s LYS 308 Ca 0.27 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.51 1s1h s LYS 308 Cb -0.18 -1.16 0.00 0.00 -2.06 0.00 0.00 37.83 34.43 1s1h s LYS 308 CO 0.17 0.30 0.00 0.41 0.10 0.00 0.00 175.35 176.33 1s1h n GLY 309 N 2.16 2.72 0.00 0.59 0.00 -1.26 -2.53 105.19 106.87 1s1h n GLY 309 Ca -0.17 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.67 1s1h n GLY 309 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s1h n ASP 310 N 5.45 0.00 0.21 1.61 8.00 -1.26 -2.70 116.55 127.86 1s1h n ASP 310 Ca 0.00 0.35 0.05 0.00 0.71 0.00 0.00 54.79 55.90 1s1h n ASP 310 Cb 0.00 -0.43 0.47 0.00 -0.02 0.00 0.00 41.12 41.13 1s1h n ASP 310 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1s1h h GLU 311 N 0.00 0.00 0.00 -1.24 5.08 -1.87 -1.82 114.58 114.74 1s1h h GLU 311 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s1h h GLU 311 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1s1h h GLU 311 CO 0.00 0.23 0.00 0.87 -1.00 0.00 0.00 179.01 179.11 1s1h h LYS 312 N 0.00 0.00 0.00 2.33 1.57 -1.72 -2.02 116.57 116.73 1s1h h LYS 312 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s1h h LYS 312 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1s1h h LYS 312 CO 0.03 0.00 -0.89 -0.25 -0.57 0.00 0.00 179.45 177.77 1s1h n ASP 313 N -2.73 0.74 -4.74 0.86 8.00 -0.68 -4.97 116.55 113.02 1s1h n ASP 313 Ca -0.01 -0.59 -0.33 0.00 0.71 0.00 0.00 54.79 54.57 1s1h n ASP 313 Cb 0.11 0.77 0.09 0.00 -0.02 0.00 0.00 41.12 42.07 1s1h n ASP 313 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s1h s LEU 314 N -3.23 3.21 0.25 0.64 1.43 -0.76 -5.06 118.68 115.15 1s1h s LEU 314 Ca 0.08 2.08 -0.07 0.00 -1.03 0.00 0.00 54.13 55.18 1s1h s LEU 314 Cb 0.16 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 1s1h s LEU 314 CO 0.81 -2.10 0.36 -1.61 0.23 0.00 0.00 176.35 174.03 1s1h s GLU 315 N -4.32 1.49 2.07 1.70 2.02 -1.26 -4.75 118.70 115.65 1s1h s GLU 315 Ca 0.67 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1s1h s GLU 315 Cb -0.22 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.41 1s1h s GLU 315 CO 0.48 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1s1h n GLY 316 N -0.38 1.44 0.25 -1.39 0.00 -1.25 -2.23 105.19 101.64 1s1h n GLY 316 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.58 1s1h n GLY 316 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s1h h LYS 317 N 0.00 0.08 -0.60 1.61 1.57 -1.94 0.30 116.57 117.60 1s1h h LYS 317 Ca 0.00 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1s1h h LYS 317 Cb 0.00 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 1s1h h LYS 317 CO 0.00 0.06 0.25 0.00 -0.57 0.00 0.00 179.45 179.19 1s1h h ALA 318 N 1.63 0.78 -0.32 3.86 0.00 -1.96 0.89 119.26 124.13 1s1h h ALA 318 Ca 0.35 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1s1h h ALA 318 Cb 0.58 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1s1h h ALA 318 CO -0.61 -0.14 -0.06 1.25 0.00 0.00 0.00 179.25 179.69 1s1h h LEU 319 N 0.46 0.62 -0.18 0.00 5.85 -0.74 -2.68 115.31 118.64 1s1h h LEU 319 Ca 0.29 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1s1h h LEU 319 Cb 0.31 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1s1h h LEU 319 CO -0.26 0.83 -0.02 0.25 -0.34 0.00 0.00 178.44 178.90 1s1h h LEU 320 N 0.39 -0.10 -0.67 2.25 5.85 -0.12 0.27 115.31 123.18 1s1h h LEU 320 Ca 0.08 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1s1h h LEU 320 Cb 0.55 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1s1h h LEU 320 CO 0.03 -0.03 0.37 0.11 -0.34 0.00 0.00 178.44 178.58 1s1h h LYS 321 N 0.04 0.65 -0.53 1.25 1.57 -0.84 0.12 116.57 118.82 1s1h h LYS 321 Ca 0.09 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1s1h h LYS 321 Cb 0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1s1h h LYS 321 CO -0.16 0.43 0.11 0.28 -0.57 0.00 0.00 179.45 179.54 1s1h h VAL 322 N 0.67 1.25 -0.32 0.50 2.07 -1.04 -2.00 116.25 117.38 1s1h h VAL 322 Ca 0.31 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1s1h h VAL 322 Cb 0.22 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1s1h h VAL 322 CO -0.20 0.33 0.05 0.58 0.02 0.00 0.00 177.57 178.35 1s1h h VAL 323 N 0.75 1.24 -0.34 2.57 2.07 0.38 -2.78 116.25 120.13 1s1h h VAL 323 Ca 0.16 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 1s1h h VAL 323 Cb 0.37 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1s1h h VAL 323 CO 0.01 0.27 -0.19 0.24 0.02 0.00 0.00 177.57 177.92 1s1h h MET 324 N 0.35 0.64 -0.74 1.57 2.07 -0.77 -0.39 114.93 117.66 1s1h h MET 324 Ca 0.10 -0.23 -0.06 0.00 -2.07 0.00 0.00 59.70 57.44 1s1h h MET 324 Cb 0.35 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.01 1s1h h MET 324 CO 0.01 0.79 0.24 0.00 1.07 0.00 0.00 176.91 179.02 1s1h h ARG 325 N 0.57 1.15 -0.01 1.72 3.08 -1.31 0.26 114.38 119.83 1s1h h ARG 325 Ca 0.09 -0.24 -0.19 0.00 0.07 0.00 0.00 59.98 59.71 1s1h h ARG 325 Cb 0.65 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1s1h h ARG 325 CO 0.05 0.97 -0.83 0.87 -1.07 0.00 0.00 179.97 179.95 1s1h h LYS 326 N 1.10 0.19 0.07 0.04 1.57 -1.31 -2.58 116.57 115.66 1s1h h LYS 326 Ca 0.24 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1s1h h LYS 326 Cb 0.29 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1s1h h LYS 326 CO -0.01 0.91 -0.03 0.35 -0.57 0.00 0.00 179.45 180.10 1s1h h PHE 327 N 0.11 -0.08 -2.06 -1.35 3.57 -0.63 -3.42 116.94 113.08 1s1h h PHE 327 Ca -0.04 -0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.90 1s1h h PHE 327 Cb 1.44 0.03 -0.39 0.00 2.79 0.00 0.00 35.95 39.81 1s1h h PHE 327 CO 0.03 0.48 -1.08 1.28 -2.23 0.00 0.00 178.31 176.79 1s1h n LEU 328 N -4.83 0.10 -4.68 0.59 4.77 0.86 -5.08 117.00 108.72 1s1h n LEU 328 Ca -0.08 -4.64 -0.55 0.00 -0.03 0.00 0.00 56.01 50.70 1s1h n LEU 328 Cb 0.30 0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 41.93 1s1h n LEU 328 CO 0.30 2.03 1.24 -2.65 -1.33 0.00 0.00 177.39 176.98 1s1h n PRO 329 N 1.65 1.24 -0.01 3.23 -0.02 -0.97 -1.49 135.00 138.62 1s1h n PRO 329 Ca 0.23 0.45 -0.09 0.00 -2.02 0.00 0.00 63.50 62.07 1s1h n PRO 329 Cb 0.52 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1s1h n PRO 329 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s1h h ALA 330 N 6.72 -0.05 -0.84 3.55 0.00 -1.69 -2.77 119.26 124.17 1s1h h ALA 330 Ca -0.47 0.06 0.18 0.00 0.00 0.00 0.00 54.91 54.68 1s1h h ALA 330 Cb 1.32 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 19.31 1s1h h ALA 330 CO 0.92 -0.60 0.36 0.00 0.00 0.00 0.00 179.25 179.93 1s1h h ALA 331 N 0.90 1.27 -0.97 0.00 0.00 -1.87 -0.49 119.26 118.10 1s1h h ALA 331 Ca 0.10 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1s1h h ALA 331 Cb 0.32 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1s1h h ALA 331 CO -0.25 -0.26 0.61 -0.44 0.00 0.00 0.00 179.25 178.91 1s1h h ASP 332 N 0.44 0.96 -0.52 0.00 5.19 -1.86 0.13 116.42 120.76 1s1h h ASP 332 Ca 0.49 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.85 1s1h h ASP 332 Cb 0.84 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 1s1h h ASP 332 CO -0.47 0.59 0.04 0.00 -3.12 0.00 0.00 179.24 176.28 1s1h h ALA 333 N 1.46 0.70 -0.18 3.45 0.00 -1.12 -2.44 119.26 121.14 1s1h h ALA 333 Ca 0.43 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1s1h h ALA 333 Cb 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1s1h h ALA 333 CO -0.20 0.48 -0.10 -0.07 0.00 0.00 0.00 179.25 179.36 1s1h h LEU 334 N 0.77 0.39 -1.50 0.00 3.38 -0.86 -3.01 115.31 114.48 1s1h h LEU 334 Ca 0.15 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1s1h h LEU 334 Cb 0.47 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1s1h h LEU 334 CO 0.02 0.74 0.02 -0.07 0.09 0.00 0.00 178.44 179.24 1s1h h LEU 335 N 0.05 0.32 -0.24 1.67 3.38 -0.80 -1.80 115.31 117.90 1s1h h LEU 335 Ca 0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s1h h LEU 335 Cb 0.59 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1s1h h LEU 335 CO 0.03 0.36 0.11 -0.08 0.09 0.00 0.00 178.44 178.95 1s1h h GLU 336 N 0.34 0.35 -0.61 1.13 4.81 -1.37 -0.54 114.58 118.68 1s1h h GLU 336 Ca 0.08 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 1s1h h GLU 336 Cb 0.20 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1s1h h GLU 336 CO 0.00 0.35 0.02 0.52 -0.73 0.00 0.00 179.01 179.17 1s1h h MET 337 N 0.25 1.05 -0.10 1.92 2.86 -1.33 -0.96 114.93 118.63 1s1h h MET 337 Ca 0.08 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1s1h h MET 337 Cb 0.12 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1s1h h MET 337 CO -0.01 1.02 0.05 0.82 1.06 0.00 0.00 176.91 179.85 1s1h h ILE 338 N 0.97 1.10 0.03 -1.22 2.04 -1.07 -0.17 117.51 119.20 1s1h h ILE 338 Ca 0.18 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1s1h h ILE 338 Cb 0.53 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1s1h h ILE 338 CO 0.03 0.09 -0.02 0.58 0.00 0.00 0.00 178.15 178.83 1s1h h VAL 339 N 0.05 1.30 0.00 1.67 2.07 -1.04 -2.39 116.25 117.92 1s1h h VAL 339 Ca 0.03 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 1s1h h VAL 339 Cb 0.10 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1s1h h VAL 339 CO -0.00 0.28 -0.54 -0.07 0.02 0.00 0.00 177.57 177.25 1s1h h LEU 340 N -0.54 0.00 0.00 2.57 3.38 -1.24 -3.40 115.31 116.09 1s1h h LEU 340 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1s1h h LEU 340 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1s1h h LEU 340 CO 0.01 0.54 -1.15 1.41 0.09 0.00 0.00 178.44 179.34 1s1h n HIS 341 N -3.57 0.00 -2.58 1.13 8.25 -0.09 -4.62 115.22 113.74 1s1h n HIS 341 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1s1h n HIS 341 Cb 0.62 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 1s1h n HIS 341 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1s1h s LEU 342 N -4.16 4.17 0.48 2.41 1.43 -0.90 -5.01 118.68 117.12 1s1h s LEU 342 Ca -0.01 2.00 -0.19 0.00 -1.03 0.00 0.00 54.13 54.91 1s1h s LEU 342 Cb 0.01 -4.16 -0.09 0.00 0.03 0.00 0.00 46.19 41.98 1s1h s LEU 342 CO 0.09 -0.42 0.99 -2.16 0.23 0.00 0.00 176.35 175.08 1s1h s PRO 343 N -2.43 3.98 0.81 1.29 0.04 -1.26 -4.82 135.00 132.61 1s1h s PRO 343 Ca 0.56 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 1s1h s PRO 343 Cb -0.21 -2.14 0.10 0.00 0.04 0.00 0.00 34.50 32.29 1s1h s PRO 343 CO 0.27 -0.25 1.16 -1.54 0.04 0.00 0.00 177.00 176.69 1s1h s SER 344 N -2.53 4.28 0.27 6.66 1.04 -1.26 -4.44 113.70 117.72 1s1h s SER 344 Ca 0.62 0.56 -0.01 0.00 0.48 0.00 0.00 55.95 57.59 1s1h s SER 344 Cb -0.11 -0.99 0.37 0.00 0.10 0.00 0.00 66.02 65.39 1s1h s SER 344 CO 0.23 -2.01 1.78 -0.65 0.98 0.00 0.00 173.24 173.57 1s1h h PRO 345 N -1.06 0.78 -0.36 4.02 0.11 -1.70 -1.41 132.00 132.38 1s1h h PRO 345 Ca -0.45 -0.20 0.03 0.00 0.11 0.00 0.00 66.00 65.49 1s1h h PRO 345 Cb 1.30 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1s1h h PRO 345 CO 0.58 0.77 0.18 0.28 -0.21 0.00 0.00 178.00 179.60 1s1h h VAL 346 N 0.73 0.98 -0.01 3.15 2.07 -1.93 0.13 116.25 121.38 1s1h h VAL 346 Ca 0.15 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1s1h h VAL 346 Cb 0.42 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1s1h h VAL 346 CO 0.02 0.07 -0.00 0.74 0.02 0.00 0.00 177.57 178.41 1s1h h THR 347 N 0.37 1.30 -0.35 2.57 2.02 -1.89 -3.31 112.91 113.63 1s1h h THR 347 Ca 0.15 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.36 1s1h h THR 347 Cb 0.06 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1s1h h THR 347 CO -0.11 0.24 -0.03 0.00 0.37 0.00 0.00 175.52 175.99 1s1h h ALA 348 N 0.62 0.48 0.00 6.16 0.00 -1.09 -3.12 119.26 122.32 1s1h h ALA 348 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1s1h h ALA 348 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s1h h ALA 348 CO 0.00 0.28 0.00 1.96 0.00 0.00 0.00 179.25 181.49 1s1h h GLN 349 N 0.45 0.00 -0.82 0.00 4.20 -0.87 -1.40 115.11 116.67 1s1h h GLN 349 Ca 0.10 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1s1h h GLN 349 Cb 0.51 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 1s1h h GLN 349 CO 0.03 0.00 0.37 0.00 -0.67 0.00 0.00 178.83 178.55 1s1h h ALA 350 N 2.01 1.10 -0.02 3.87 0.00 -1.54 -1.04 119.26 123.64 1s1h h ALA 350 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1s1h h ALA 350 Cb 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1s1h h ALA 350 CO 0.00 0.66 -0.21 2.48 0.00 0.00 0.00 179.25 182.18 1s1h n TYR 351 N -4.29 0.00 0.07 0.00 0.18 -0.87 -4.37 117.16 107.88 1s1h n TYR 351 Ca 0.08 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.95 1s1h n TYR 351 Cb 0.16 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.98 1s1h n TYR 351 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1s1h n ARG 352 N 0.38 0.61 -0.24 -3.48 1.74 -0.58 -4.65 116.66 110.43 1s1h n ARG 352 Ca 0.09 -0.16 -0.04 0.00 -0.77 0.00 0.00 57.85 56.97 1s1h n ARG 352 Cb 0.40 -1.44 0.01 0.00 -1.02 0.00 0.00 32.46 30.42 1s1h n ARG 352 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s1h h ALA 353 N 1.81 0.01 -0.18 7.54 0.00 -1.39 -1.42 119.26 125.64 1s1h h ALA 353 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1s1h h ALA 353 Cb 0.83 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1s1h h ALA 353 CO 0.00 -0.66 0.09 0.93 0.00 0.00 0.00 179.25 179.61 1s1h h GLU 354 N -0.13 0.19 -0.85 0.00 5.08 -1.86 -1.06 114.58 115.96 1s1h h GLU 354 Ca 0.26 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 1s1h h GLU 354 Cb 0.56 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1s1h h GLU 354 CO -0.75 0.12 0.54 1.96 -1.00 0.00 0.00 179.01 179.89 1s1h h GLN 355 N 0.19 1.01 0.00 2.33 4.20 -1.74 -2.10 115.11 119.00 1s1h h GLN 355 Ca 0.07 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1s1h h GLN 355 Cb 0.01 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1s1h h GLN 355 CO -0.05 0.67 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.48 1s1h h LEU 356 N 1.04 0.00 -8.72 1.46 3.38 -0.85 -3.41 115.31 108.21 1s1h h LEU 356 Ca 0.34 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.67 1s1h h LEU 356 Cb 0.04 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.57 1s1h h LEU 356 CO -0.13 0.23 -0.64 -0.47 0.09 0.00 0.00 178.44 177.52 1s1h s TYR 357 N -3.79 3.07 -1.99 1.13 5.04 -0.44 0.89 117.35 121.26 1s1h s TYR 357 Ca -0.00 -0.40 0.31 0.00 -2.44 0.00 0.00 57.07 54.54 1s1h s TYR 357 Cb 0.11 -2.12 1.79 0.00 0.35 0.00 0.00 41.96 42.09 1s1h s TYR 357 CO 0.63 -0.23 2.16 0.39 -1.34 0.00 0.00 175.55 177.17 1s1h n GLU 358 N 4.33 1.01 -0.71 4.97 -0.58 -1.11 -4.83 120.64 123.73 1s1h n GLU 358 Ca -0.17 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 1s1h n GLU 358 Cb 0.52 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1s1h n GLU 358 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s1h n GLY 359 N 1.04 1.27 3.75 0.62 0.00 -1.26 -4.96 105.19 105.66 1s1h n GLY 359 Ca 0.23 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 1s1h n GLY 359 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1s1h s PRO 360 N -1.77 4.12 0.43 1.61 0.02 -1.26 -4.91 135.00 133.24 1s1h s PRO 360 Ca 0.00 2.58 0.09 0.00 0.02 0.00 0.00 61.00 63.69 1s1h s PRO 360 Cb 0.00 -3.02 0.95 0.00 0.02 0.00 0.00 34.50 32.44 1s1h s PRO 360 CO 0.00 -0.63 2.06 0.00 -0.33 0.00 0.00 177.00 178.10 1s1h h ALA 361 N 4.83 1.75 -0.52 -1.55 0.00 -1.96 -1.17 119.26 120.63 1s1h h ALA 361 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1s1h h ALA 361 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1s1h h ALA 361 CO 0.79 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.86 1s1h n ASP 362 N -4.47 3.62 -4.76 0.00 5.68 -1.26 -4.48 116.55 110.88 1s1h n ASP 362 Ca 0.01 -2.26 -0.33 0.00 -0.50 0.00 0.00 54.79 51.72 1s1h n ASP 362 Cb 0.09 -0.48 0.06 0.00 -1.14 0.00 0.00 41.12 39.65 1s1h n ASP 362 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1s1h s ASP 363 N -0.85 4.93 0.20 -1.12 2.15 -0.44 -4.88 116.67 116.66 1s1h s ASP 363 Ca 0.39 2.03 -0.08 0.00 0.43 0.00 0.00 52.55 55.32 1s1h s ASP 363 Cb 0.24 -2.55 0.13 0.00 -0.30 0.00 0.00 42.92 40.44 1s1h s ASP 363 CO 0.21 -1.75 1.73 0.00 -0.17 0.00 0.00 175.17 175.20 1s1h h ALA 364 N -0.10 0.97 -0.35 3.66 0.00 -1.93 -1.33 119.26 120.18 1s1h h ALA 364 Ca -0.47 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.06 1s1h h ALA 364 Cb 1.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1s1h h ALA 364 CO 0.53 0.66 -0.38 -0.91 0.00 0.00 0.00 179.25 179.16 1s1h h ASN 365 N 1.10 0.88 -0.42 0.00 4.21 -1.93 -1.27 115.58 118.15 1s1h h ASN 365 Ca 0.24 -0.39 -0.05 0.00 1.21 0.00 0.00 56.30 57.31 1s1h h ASN 365 Cb 0.32 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 1s1h h ASN 365 CO -0.01 1.15 0.08 0.00 -1.29 0.00 0.00 177.43 177.37 1s1h h ILE 367 N 0.54 1.25 -0.56 0.00 1.08 -1.14 0.16 117.51 118.84 1s1h h ILE 367 Ca 0.13 -0.58 -0.05 0.00 -0.39 0.00 0.00 64.86 63.97 1s1h h ILE 367 Cb 0.35 -0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.07 1s1h h ILE 367 CO 0.01 0.27 0.14 0.00 -0.69 0.00 0.00 178.15 177.88 1s1h h ALA 368 N 1.33 1.20 -0.18 1.87 0.00 -0.84 -0.27 119.26 122.38 1s1h h ALA 368 Ca 0.32 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1s1h h ALA 368 Cb -0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1s1h h ALA 368 CO -0.06 0.55 -0.07 0.82 0.00 0.00 0.00 179.25 180.49 1s1h h ILE 369 N 0.82 1.30 -0.98 0.00 1.08 -0.28 0.14 117.51 119.59 1s1h h ILE 369 Ca 0.18 -1.10 0.13 0.00 -0.39 0.00 0.00 64.86 63.69 1s1h h ILE 369 Cb 0.29 1.66 -0.08 0.00 -3.07 0.00 0.00 36.82 35.61 1s1h h ILE 369 CO -0.00 0.33 0.62 0.11 -0.69 0.00 0.00 178.15 178.51 1s1h h LYS 370 N 0.05 0.89 -0.02 2.37 1.57 -0.25 -1.27 116.57 119.90 1s1h h LYS 370 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1s1h h LYS 370 Cb 0.54 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1s1h h LYS 370 CO 0.02 0.59 -0.01 0.09 -0.57 0.00 0.00 179.45 179.56 1s1h n ASN 371 N -4.61 2.23 -3.95 0.86 3.02 -0.15 -3.33 115.26 109.32 1s1h n ASN 371 Ca 0.19 -1.73 -0.28 0.00 -0.03 0.00 0.00 54.58 52.72 1s1h n ASN 371 Cb 0.39 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1s1h n ASN 371 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s1h s ASP 373 N -3.84 5.98 0.50 0.00 -1.08 0.06 -4.79 116.67 113.50 1s1h s ASP 373 Ca 0.35 0.63 0.32 0.00 -0.52 0.00 0.00 52.55 53.33 1s1h s ASP 373 Cb -0.18 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.11 1s1h s ASP 373 CO 0.87 -1.76 1.96 1.55 0.52 0.00 0.00 175.17 178.30 1s1h h PRO 374 N 12.03 0.00 0.00 4.34 0.13 -1.88 0.19 132.00 146.81 1s1h h PRO 374 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1s1h h PRO 374 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1s1h h PRO 374 CO 1.13 0.00 -0.60 1.63 -0.23 0.00 0.00 178.00 179.93 1s1h n LYS 375 N -2.92 0.09 -1.19 0.86 5.02 -1.26 -3.08 118.16 115.68 1s1h n LYS 375 Ca 0.01 0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.05 1s1h n LYS 375 Cb 0.27 -1.54 0.20 0.00 -0.02 0.00 0.00 35.03 33.94 1s1h n LYS 375 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s1h n ALA 376 N -1.60 -2.39 -1.76 7.82 0.00 -1.14 -4.91 120.51 116.53 1s1h n ALA 376 Ca 0.05 -1.46 -0.37 0.00 0.00 0.00 0.00 53.44 51.65 1s1h n ALA 376 Cb 0.37 -0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.73 1s1h n ALA 376 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s1h s ASP 377 N -4.51 5.90 0.33 0.00 1.01 -1.26 -3.82 116.67 114.31 1s1h s ASP 377 Ca 0.63 2.45 -0.29 0.00 0.71 0.00 0.00 52.55 56.06 1s1h s ASP 377 Cb -0.04 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.16 1s1h s ASP 377 CO 0.47 -1.12 1.56 -0.22 0.21 0.00 0.00 175.17 176.08 1s1h s LEU 378 N -3.16 4.33 -0.37 1.23 2.96 -1.26 -3.71 118.68 118.70 1s1h s LEU 378 Ca 0.66 3.01 0.02 0.00 -0.22 0.00 0.00 54.13 57.59 1s1h s LEU 378 Cb -0.32 -3.65 0.15 0.00 0.50 0.00 0.00 46.19 42.87 1s1h s LEU 378 CO 0.39 -0.91 0.28 -0.04 -1.32 0.00 0.00 176.35 174.75 1s1h s MET 379 N -1.13 0.64 -0.20 1.98 -1.94 0.11 -2.93 119.30 115.83 1s1h s MET 379 Ca 0.59 -1.35 -0.03 0.00 -1.71 0.00 0.00 55.69 53.19 1s1h s MET 379 Cb -0.48 -1.16 -0.00 0.00 2.01 0.00 0.00 34.83 35.20 1s1h s MET 379 CO 0.54 -1.24 -0.08 -1.17 -0.01 0.00 0.00 175.02 173.06 1s1h s LEU 380 N 0.97 2.74 -0.26 -0.03 0.20 0.26 -0.67 118.68 121.89 1s1h s LEU 380 Ca 0.21 -0.43 -0.18 0.00 0.69 0.00 0.00 54.13 54.42 1s1h s LEU 380 Cb -0.16 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.89 1s1h s LEU 380 CO -0.03 0.01 0.53 -0.47 -0.29 0.00 0.00 176.35 176.09 1s1h s TYR 381 N 1.30 3.27 -0.41 5.38 5.04 -0.47 0.28 117.35 131.74 1s1h s TYR 381 Ca 0.04 0.65 -0.24 0.00 -2.44 0.00 0.00 57.07 55.08 1s1h s TYR 381 Cb -0.14 -2.74 0.02 0.00 0.35 0.00 0.00 41.96 39.45 1s1h s TYR 381 CO -0.04 -0.29 0.82 0.08 -1.34 0.00 0.00 175.55 174.78 1s1h s VAL 382 N 2.33 4.65 0.14 3.14 1.01 -0.93 -1.49 120.40 129.26 1s1h s VAL 382 Ca 0.22 0.76 0.05 0.00 0.00 0.00 0.00 61.98 63.00 1s1h s VAL 382 Cb -0.16 -4.29 -0.18 0.00 0.00 0.00 0.00 36.38 31.75 1s1h s VAL 382 CO 0.09 -0.60 1.33 -1.28 0.00 0.00 0.00 175.10 174.64 1s1h h SER 383 N 8.73 0.13 0.00 3.32 0.87 -0.37 -2.04 113.55 124.19 1s1h h SER 383 Ca -0.24 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1s1h h SER 383 Cb 1.09 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1s1h h SER 383 CO 0.95 1.00 0.00 2.29 -0.53 0.00 0.00 176.83 180.55 1s1h n LYS 384 N -3.51 -0.63 -4.17 2.24 2.85 -0.97 -4.42 118.16 109.55 1s1h n LYS 384 Ca -0.02 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.89 1s1h n LYS 384 Cb 0.88 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 35.17 1s1h n LYS 384 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1s1h s MET 385 N -2.00 3.38 -0.14 -1.58 -1.94 -1.26 -0.29 119.30 115.47 1s1h s MET 385 Ca 0.00 -0.34 -0.02 0.00 -1.71 0.00 0.00 55.69 53.62 1s1h s MET 385 Cb 0.00 -2.99 -0.02 0.00 2.01 0.00 0.00 34.83 33.82 1s1h s MET 385 CO 0.00 0.58 -0.08 0.54 -0.01 0.00 0.00 175.02 176.05 1s1h s VAL 386 N -0.53 3.51 0.34 -6.03 0.11 0.90 -4.92 120.40 113.79 1s1h s VAL 386 Ca 0.10 -0.50 -0.29 0.00 -2.93 0.00 0.00 61.98 58.37 1s1h s VAL 386 Cb -0.12 -2.51 -0.11 0.00 -1.53 0.00 0.00 36.38 32.12 1s1h s VAL 386 CO 0.02 0.51 1.38 -2.84 -3.33 0.00 0.00 175.10 170.84 1s1h s PRO 387 N 0.28 4.26 0.30 1.54 0.02 -1.26 -1.08 135.00 139.06 1s1h s PRO 387 Ca -0.06 2.35 0.03 0.00 0.02 0.00 0.00 61.00 63.33 1s1h s PRO 387 Cb -0.15 -3.04 -0.06 0.00 0.02 0.00 0.00 34.50 31.28 1s1h s PRO 387 CO 0.04 -0.32 0.08 0.95 -0.33 0.00 0.00 177.00 177.42 1s1h s THR 388 N -1.07 0.85 -2.06 0.99 -4.23 -1.12 -2.22 115.64 106.79 1s1h s THR 388 Ca 0.51 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.15 1s1h s THR 388 Cb -0.42 -2.70 0.34 0.00 1.34 0.00 0.00 72.50 71.05 1s1h s THR 388 CO 0.56 0.00 1.32 -1.54 -0.54 0.00 0.00 174.62 174.42 1s1h n SER 389 N -0.62 1.72 -3.96 3.99 3.41 -0.15 -4.53 113.62 113.47 1s1h n SER 389 Ca -0.01 -1.92 -0.43 0.00 -0.26 0.00 0.00 58.87 56.25 1s1h n SER 389 Cb 0.66 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1s1h n SER 389 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s1h n ASP 390 N 0.41 4.62 -1.04 4.04 -0.08 -1.26 -4.79 116.55 118.45 1s1h n ASP 390 Ca 0.12 -2.97 -0.02 0.00 -1.51 0.00 0.00 54.79 50.41 1s1h n ASP 390 Cb 0.29 -1.59 0.00 0.00 2.34 0.00 0.00 41.12 42.16 1s1h n ASP 390 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1s1h n LYS 391 N 5.44 -0.10 -0.70 -0.67 4.76 -1.26 0.32 118.16 125.95 1s1h n LYS 391 Ca 0.45 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1s1h n LYS 391 Cb 0.39 -0.11 0.00 0.00 -1.84 0.00 0.00 35.03 33.47 1s1h n LYS 391 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s1h n GLY 392 N 0.14 0.41 3.79 0.72 0.00 -1.26 -4.98 105.19 104.01 1s1h n GLY 392 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1s1h n GLY 392 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s1h s ARG 393 N -0.59 4.29 0.05 1.61 1.81 0.15 -4.98 118.95 121.30 1s1h s ARG 393 Ca 0.00 0.81 0.06 0.00 -1.72 0.00 0.00 55.73 54.88 1s1h s ARG 393 Cb 0.00 -3.27 -0.04 0.00 -0.45 0.00 0.00 34.95 31.19 1s1h s ARG 393 CO 0.00 0.54 -0.12 -0.06 -0.68 0.00 0.00 175.30 174.98 1s1h s PHE 394 N -0.82 2.72 -0.08 -0.53 2.99 -1.26 -2.78 117.98 118.21 1s1h s PHE 394 Ca 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 56.93 57.05 1s1h s PHE 394 Cb -0.20 -1.50 -0.04 0.00 0.00 0.00 0.00 43.02 41.29 1s1h s PHE 394 CO 0.20 0.35 0.06 0.71 -0.00 0.00 0.00 175.22 176.54 1s1h s TYR 395 N -1.04 3.33 0.09 0.36 2.02 -0.24 -4.28 117.35 117.58 1s1h s TYR 395 Ca 0.18 0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.89 1s1h s TYR 395 Cb -0.11 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 1s1h s TYR 395 CO 0.09 0.57 1.01 0.00 -1.57 0.00 0.00 175.55 175.65 1s1h s ALA 396 N -0.98 3.26 -0.09 3.71 0.00 0.16 -0.07 121.76 127.74 1s1h s ALA 396 Ca 0.15 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.75 1s1h s ALA 396 Cb -0.12 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1s1h s ALA 396 CO 0.05 -0.14 -0.12 0.12 0.00 0.00 0.00 175.76 175.67 1s1h s PHE 397 N 0.28 2.81 0.00 0.00 5.36 0.60 -0.08 117.98 126.95 1s1h s PHE 397 Ca 0.49 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 56.12 1s1h s PHE 397 Cb -0.24 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.68 1s1h s PHE 397 CO 0.30 0.03 0.00 0.41 -1.46 0.00 0.00 175.22 174.50 1s1h n GLY 398 N 2.90 1.44 2.92 13.12 0.00 -0.68 0.38 105.19 125.27 1s1h n GLY 398 Ca -0.18 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 1s1h n GLY 398 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s1h s ARG 399 N 0.41 0.38 -0.49 1.61 3.52 -0.55 -1.40 118.95 122.43 1s1h s ARG 399 Ca 0.00 -0.12 -0.24 0.00 -0.13 0.00 0.00 55.73 55.24 1s1h s ARG 399 Cb 0.00 -0.40 0.03 0.00 -1.56 0.00 0.00 34.95 33.02 1s1h s ARG 399 CO 0.00 0.05 0.85 0.08 -0.81 0.00 0.00 175.30 175.47 1s1h s VAL 400 N 0.13 4.54 -0.14 7.11 1.01 -0.36 -1.37 120.40 131.32 1s1h s VAL 400 Ca -0.01 0.36 0.17 0.00 0.00 0.00 0.00 61.98 62.50 1s1h s VAL 400 Cb -0.04 -4.42 -0.11 0.00 0.00 0.00 0.00 36.38 31.81 1s1h s VAL 400 CO -0.00 -0.89 0.90 -0.26 0.00 0.00 0.00 175.10 174.84 1s1h h PHE 401 N 9.12 0.00 -2.43 5.22 0.04 -1.21 0.64 116.94 128.32 1s1h h PHE 401 Ca -0.25 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.43 1s1h h PHE 401 Cb 1.08 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 39.03 1s1h h PHE 401 CO 0.85 0.51 -0.01 0.00 -0.60 0.00 0.00 178.31 179.06 1s1h s ALA 402 N -2.97 -1.36 0.00 2.45 0.00 -1.09 -4.42 121.76 114.37 1s1h s ALA 402 Ca -0.02 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1s1h s ALA 402 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1s1h s ALA 402 CO 0.80 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.66 1s1h n GLY 403 N 1.30 -1.69 2.94 0.00 0.00 0.66 -0.71 105.19 107.69 1s1h n GLY 403 Ca -0.19 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.34 1s1h n GLY 403 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s1h s THR 404 N 0.00 -0.18 0.30 2.61 -4.23 -1.18 -0.67 115.64 112.30 1s1h s THR 404 Ca 0.00 0.25 -0.23 0.00 -1.18 0.00 0.00 61.69 60.53 1s1h s THR 404 Cb 0.00 -0.32 -0.09 0.00 1.34 0.00 0.00 72.50 73.42 1s1h s THR 404 CO 0.00 0.10 0.86 0.54 -0.54 0.00 0.00 174.62 175.58 1s1h s VAL 405 N 1.77 4.37 0.05 2.29 0.11 -0.85 -4.86 120.40 123.28 1s1h s VAL 405 Ca -0.04 1.56 0.01 0.00 -2.93 0.00 0.00 61.98 60.59 1s1h s VAL 405 Cb -0.12 -3.90 -0.03 0.00 -1.53 0.00 0.00 36.38 30.81 1s1h s VAL 405 CO -0.07 0.10 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.20 1s1h s LYS 406 N -2.18 0.53 0.13 1.54 1.02 -1.26 -1.37 119.74 118.14 1s1h s LYS 406 Ca 0.49 -0.83 -0.31 0.00 0.02 0.00 0.00 55.97 55.34 1s1h s LYS 406 Cb -0.17 -0.16 -0.08 0.00 -0.52 0.00 0.00 37.83 36.90 1s1h s LYS 406 CO 0.21 0.01 1.40 -1.12 -0.92 0.00 0.00 175.35 174.94 1s1h s SER 407 N -1.84 6.80 -0.49 2.83 0.01 -0.80 -2.51 113.70 117.71 1s1h s SER 407 Ca -0.07 2.37 -0.00 0.00 1.31 0.00 0.00 55.95 59.55 1s1h s SER 407 Cb -0.07 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1s1h s SER 407 CO -0.01 -0.66 0.06 0.61 0.41 0.00 0.00 173.24 173.65 1s1h n GLY 408 N 3.42 0.20 3.70 3.44 0.00 0.51 -4.99 105.19 111.47 1s1h n GLY 408 Ca 0.11 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1s1h n GLY 408 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1s1h s GLN 409 N -4.50 4.14 0.04 1.61 0.74 -1.04 -4.78 119.66 115.87 1s1h s GLN 409 Ca 0.03 -0.25 -0.31 0.00 0.05 0.00 0.00 55.36 54.89 1s1h s GLN 409 Cb -0.01 -3.38 -0.07 0.00 1.10 0.00 0.00 33.01 30.64 1s1h s GLN 409 CO 0.04 0.28 1.45 0.15 -0.55 0.00 0.00 175.29 176.66 1s1h s LYS 410 N 0.41 4.27 0.08 1.67 1.02 -1.26 -1.82 119.74 124.11 1s1h s LYS 410 Ca 0.07 2.07 -0.00 0.00 0.02 0.00 0.00 55.97 58.13 1s1h s LYS 410 Cb -0.11 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 1s1h s LYS 410 CO -0.01 -0.58 -0.03 0.08 -0.92 0.00 0.00 175.35 173.89 1s1h s VAL 411 N 2.14 0.36 -0.31 3.17 1.01 -0.36 -4.88 120.40 121.52 1s1h s VAL 411 Ca 0.66 -1.87 -0.08 0.00 0.00 0.00 0.00 61.98 60.69 1s1h s VAL 411 Cb -0.35 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1s1h s VAL 411 CO 0.29 -0.87 0.12 -0.13 0.00 0.00 0.00 175.10 174.50 1s1h s ARG 412 N -3.91 3.10 -0.36 2.72 0.52 0.12 -2.21 118.95 118.94 1s1h s ARG 412 Ca 0.11 -0.87 -0.20 0.00 -0.52 0.00 0.00 55.73 54.26 1s1h s ARG 412 Cb 0.07 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 32.06 1s1h s ARG 412 CO -0.06 -0.48 0.62 0.42 0.02 0.00 0.00 175.30 175.82 1s1h s ILE 413 N 1.54 4.90 -0.21 1.52 1.01 0.59 -1.33 121.20 129.22 1s1h s ILE 413 Ca 0.03 0.56 -0.04 0.00 0.00 0.00 0.00 60.65 61.20 1s1h s ILE 413 Cb -0.18 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1s1h s ILE 413 CO 0.04 -0.31 -0.03 -1.10 0.00 0.00 0.00 174.94 173.54 1s1h s GLN 414 N 2.68 3.46 0.43 2.79 -0.21 0.56 -1.76 119.66 127.61 1s1h s GLN 414 Ca 0.24 -0.59 -0.07 0.00 0.02 0.00 0.00 55.36 54.95 1s1h s GLN 414 Cb -0.15 -3.00 0.10 0.00 1.00 0.00 0.00 33.01 30.96 1s1h s GLN 414 CO 0.15 -0.10 0.59 0.41 -2.12 0.00 0.00 175.29 174.22 1s1h n GLY 415 N 4.52 -1.27 0.00 3.09 0.00 -1.11 -1.83 105.19 108.58 1s1h n GLY 415 Ca -0.18 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.17 1s1h n GLY 415 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s1h n PRO 416 N -2.25 0.03 -0.00 1.61 -0.02 -1.26 -2.35 135.00 130.75 1s1h n PRO 416 Ca 0.07 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1s1h n PRO 416 Cb 0.26 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1s1h n PRO 416 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1s1h n ASN 417 N -1.40 1.13 -4.66 2.55 3.02 -1.26 -5.01 115.26 109.63 1s1h n ASN 417 Ca 0.01 -0.40 -0.46 0.00 -0.03 0.00 0.00 54.58 53.71 1s1h n ASN 417 Cb 0.04 1.01 -0.03 0.00 -0.61 0.00 0.00 39.78 40.18 1s1h n ASN 417 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s1h n TYR 418 N -1.13 2.11 -4.45 3.10 9.36 -0.99 -4.89 117.16 120.27 1s1h n TYR 418 Ca 0.00 0.41 -0.20 0.00 3.32 0.00 0.00 57.90 61.43 1s1h n TYR 418 Cb 0.01 -2.47 -0.15 0.00 -0.63 0.00 0.00 39.34 36.10 1s1h n TYR 418 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1s1h s VAL 419 N 0.24 0.84 0.09 2.97 1.01 -1.26 -4.72 120.40 119.56 1s1h s VAL 419 Ca 0.72 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 1s1h s VAL 419 Cb -0.69 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1s1h s VAL 419 CO 0.46 0.25 0.96 -2.65 0.00 0.00 0.00 175.10 174.12 1s1h n PRO 420 N 3.00 -0.25 0.25 2.72 -0.02 -1.26 -2.66 135.00 136.78 1s1h n PRO 420 Ca -0.15 0.94 -0.14 0.00 -2.02 0.00 0.00 63.50 62.12 1s1h n PRO 420 Cb 0.55 -1.38 -0.08 0.00 -0.02 0.00 0.00 33.50 32.57 1s1h n PRO 420 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1s1h h GLY 421 N 0.00 -0.68 -3.52 -1.23 0.00 -1.98 -3.44 103.07 92.22 1s1h h GLY 421 Ca 0.09 0.25 -0.50 0.00 0.00 0.00 0.00 47.33 47.17 1s1h h GLY 421 CO -0.53 -0.25 0.47 0.54 0.00 0.00 0.00 176.54 176.78 1s1h s LYS 422 N -4.78 4.47 -0.22 4.80 1.02 -1.09 -4.94 119.74 119.01 1s1h s LYS 422 Ca -0.14 1.76 0.01 0.00 0.02 0.00 0.00 55.97 57.62 1s1h s LYS 422 Cb 0.02 -3.00 0.26 0.00 -0.52 0.00 0.00 37.83 34.59 1s1h s LYS 422 CO 0.50 0.07 1.59 1.17 -0.92 0.00 0.00 175.35 177.76 1s1h n LYS 423 N 0.80 1.59 -2.79 1.68 4.81 -1.26 -4.06 118.16 118.93 1s1h n LYS 423 Ca 0.01 -1.33 -0.42 0.00 -0.87 0.00 0.00 58.31 55.70 1s1h n LYS 423 Cb 0.46 -1.52 -0.03 0.00 0.02 0.00 0.00 35.03 33.95 1s1h n LYS 423 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1s1h s ASP 424 N 0.12 6.90 0.00 3.14 1.47 -1.26 -3.46 116.67 123.58 1s1h s ASP 424 Ca 0.25 1.09 0.00 0.00 1.18 0.00 0.00 52.55 55.08 1s1h s ASP 424 Cb 0.21 -2.48 0.00 0.00 -0.34 0.00 0.00 42.92 40.31 1s1h s ASP 424 CO 0.03 -0.63 0.00 0.47 0.68 0.00 0.00 175.17 175.72 1s1h n ASP 425 N 6.25 -1.39 -4.76 2.11 8.00 -1.26 -2.74 116.55 122.76 1s1h n ASP 425 Ca 0.08 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.19 1s1h n ASP 425 Cb 0.47 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 1s1h n ASP 425 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1s1h s LEU 426 N 0.00 4.54 -0.27 0.64 2.96 -1.23 -2.75 118.68 122.58 1s1h s LEU 426 Ca 0.00 1.92 -0.01 0.00 -0.22 0.00 0.00 54.13 55.83 1s1h s LEU 426 Cb 0.00 -3.75 0.15 0.00 0.50 0.00 0.00 46.19 43.09 1s1h s LEU 426 CO 0.00 0.07 0.43 -0.36 -1.32 0.00 0.00 176.35 175.16 1s1h s PHE 427 N -1.33 -1.03 -0.47 5.38 0.08 -0.72 -4.97 117.98 114.91 1s1h s PHE 427 Ca 0.44 0.79 -0.17 0.00 0.12 0.00 0.00 56.93 58.11 1s1h s PHE 427 Cb -0.24 0.05 0.05 0.00 -0.57 0.00 0.00 43.02 42.31 1s1h s PHE 427 CO 0.29 -0.85 0.48 0.42 -0.10 0.00 0.00 175.22 175.47 1s1h s ILE 428 N 2.60 5.07 0.23 0.64 1.01 -1.26 -0.30 121.20 129.19 1s1h s ILE 428 Ca 0.13 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1s1h s ILE 428 Cb -0.14 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 1s1h s ILE 428 CO -0.22 -0.62 0.09 -0.75 0.00 0.00 0.00 174.94 173.45 1s1h s LYS 429 N 2.11 1.31 -0.27 2.79 2.47 -0.94 -4.95 119.74 122.27 1s1h s LYS 429 Ca 0.10 -1.69 -0.11 0.00 -1.56 0.00 0.00 55.97 52.70 1s1h s LYS 429 Cb -0.21 -0.10 -0.05 0.00 -1.46 0.00 0.00 37.83 36.01 1s1h s LYS 429 CO 0.10 -0.30 0.19 0.00 0.16 0.00 0.00 175.35 175.49 1s1h s ALA 430 N -3.86 3.56 -0.11 3.13 0.00 -1.26 -1.23 121.76 121.98 1s1h s ALA 430 Ca 0.36 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 51.00 1s1h s ALA 430 Cb 0.07 -2.44 -0.08 0.00 0.00 0.00 0.00 23.12 20.67 1s1h s ALA 430 CO 0.12 -0.43 2.06 -0.89 0.00 0.00 0.00 175.76 176.61 1s1h n ILE 431 N 4.80 0.54 -0.17 0.00 5.41 -0.76 -4.80 119.36 124.39 1s1h n ILE 431 Ca -0.14 -0.25 -0.04 0.00 1.00 0.00 0.00 62.75 63.32 1s1h n ILE 431 Cb 0.52 -2.26 0.15 0.00 -0.71 0.00 0.00 39.64 37.35 1s1h n ILE 431 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1s1h h GLN 432 N 12.00 0.92 -1.42 0.38 4.20 -1.89 1.48 115.11 130.78 1s1h h GLN 432 Ca -0.45 -0.19 0.11 0.00 0.06 0.00 0.00 58.65 58.18 1s1h h GLN 432 Cb 1.25 -0.14 -0.29 0.00 0.30 0.00 0.00 27.48 28.61 1s1h h GLN 432 CO 0.96 0.81 0.59 0.50 -0.67 0.00 0.00 178.83 181.02 1s1h s ARG 433 N -5.25 0.35 -0.16 1.46 6.06 -1.20 -4.49 118.95 115.72 1s1h s ARG 433 Ca -0.10 0.43 -0.07 0.00 -2.50 0.00 0.00 55.73 53.49 1s1h s ARG 433 Cb 0.15 0.16 -0.04 0.00 0.06 0.00 0.00 34.95 35.29 1s1h s ARG 433 CO 0.81 -0.04 0.08 0.08 -2.50 0.00 0.00 175.30 173.73 1s1h s VAL 434 N 0.24 4.94 0.03 7.11 1.01 -1.26 -1.75 120.40 130.72 1s1h s VAL 434 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1s1h s VAL 434 Cb -0.05 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1s1h s VAL 434 CO -0.10 0.51 -0.07 0.68 0.00 0.00 0.00 175.10 176.12 1s1h s VAL 435 N -0.06 0.50 0.20 2.92 -7.23 -0.13 -0.89 120.40 115.71 1s1h s VAL 435 Ca 0.07 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.16 1s1h s VAL 435 Cb -0.12 -0.52 -0.08 0.00 0.56 0.00 0.00 36.38 36.22 1s1h s VAL 435 CO 0.01 -0.21 0.97 -0.76 -0.31 0.00 0.00 175.10 174.81 1s1h s LEU 436 N -1.07 4.58 -0.81 1.32 1.43 -0.01 -1.08 118.68 123.04 1s1h s LEU 436 Ca -0.06 1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.86 1s1h s LEU 436 Cb -0.07 -3.60 0.22 0.00 0.03 0.00 0.00 46.19 42.76 1s1h s LEU 436 CO 0.00 0.04 0.74 -0.04 0.23 0.00 0.00 176.35 177.32 1s1h s MET 437 N -0.79 3.52 -1.00 1.70 -1.94 -1.26 -1.84 119.30 117.68 1s1h s MET 437 Ca 0.44 -2.49 -0.12 0.00 -1.71 0.00 0.00 55.69 51.81 1s1h s MET 437 Cb -0.26 -4.37 0.23 0.00 2.01 0.00 0.00 34.83 32.44 1s1h s MET 437 CO 0.32 -1.28 1.03 -1.64 -0.01 0.00 0.00 175.02 173.45 1s1h s MET 438 N 0.11 3.91 7.87 2.03 1.00 0.20 -4.50 119.30 129.93 1s1h s MET 438 Ca 0.18 -2.72 0.00 0.00 0.00 0.00 0.00 55.69 53.15 1s1h s MET 438 Cb -0.11 -4.61 0.00 0.00 0.00 0.00 0.00 34.83 30.11 1s1h s MET 438 CO -0.08 -1.38 0.00 0.41 0.00 0.00 0.00 175.02 173.96 1s1h n GLY 439 N 3.62 3.60 0.69 -0.03 0.00 -0.45 -1.48 105.19 111.14 1s1h n GLY 439 Ca 0.22 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1s1h n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1h n ARG 440 N 13.50 1.89 -4.40 1.61 1.74 -1.26 -3.81 116.66 125.93 1s1h n ARG 440 Ca 0.00 -1.36 -0.25 0.00 -0.77 0.00 0.00 57.85 55.47 1s1h n ARG 440 Cb 0.00 -1.39 -0.11 0.00 -1.02 0.00 0.00 32.46 29.94 1s1h n ARG 440 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1s1h s PHE 441 N -1.66 2.16 0.15 -1.55 0.08 -0.55 -0.80 117.98 115.82 1s1h s PHE 441 Ca 0.32 -0.39 0.10 0.00 0.12 0.00 0.00 56.93 57.08 1s1h s PHE 441 Cb 0.17 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.52 1s1h s PHE 441 CO 0.25 0.47 -0.22 0.14 -0.10 0.00 0.00 175.22 175.76 1s1h s VAL 442 N -1.86 2.05 -0.16 -0.44 -7.23 -1.26 -0.63 120.40 110.86 1s1h s VAL 442 Ca 0.20 -1.84 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 1s1h s VAL 442 Cb -0.07 -1.90 0.06 0.00 0.56 0.00 0.00 36.38 35.03 1s1h s VAL 442 CO 0.09 -0.12 0.09 -0.70 -0.31 0.00 0.00 175.10 174.15 1s1h s GLU 443 N -2.42 0.08 0.42 4.82 2.56 -0.77 -4.93 118.70 118.47 1s1h s GLU 443 Ca 0.15 -0.07 -0.25 0.00 0.00 0.00 0.00 54.97 54.80 1s1h s GLU 443 Cb -0.08 -1.77 -0.10 0.00 2.00 0.00 0.00 34.13 34.18 1s1h s GLU 443 CO 0.07 -0.65 1.13 -2.30 -0.56 0.00 0.00 175.26 172.95 1s1h n PRO 444 N 5.27 1.60 -3.84 4.30 -0.02 -1.26 -0.83 135.00 140.22 1s1h n PRO 444 Ca -0.07 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 61.86 1s1h n PRO 444 Cb 0.49 -2.20 -0.11 0.00 -0.02 0.00 0.00 33.50 31.66 1s1h n PRO 444 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1s1h s ILE 445 N -1.24 0.03 0.11 4.25 2.07 -0.06 -4.83 121.20 121.53 1s1h s ILE 445 Ca 0.62 -0.28 -0.22 0.00 -1.41 0.00 0.00 60.65 59.36 1s1h s ILE 445 Cb -0.54 -0.31 -0.08 0.00 0.13 0.00 0.00 42.46 41.66 1s1h s ILE 445 CO 0.57 -0.16 1.71 0.44 -1.91 0.00 0.00 174.94 175.59 1s1h h ASP 446 N 5.24 -0.21 -5.39 4.50 3.32 -1.95 -3.37 116.42 118.55 1s1h h ASP 446 Ca -0.27 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.64 1s1h h ASP 446 Cb 1.20 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.76 1s1h h ASP 446 CO 0.41 -0.10 -0.17 1.51 -1.72 0.00 0.00 179.24 179.17 1s1h s ASP 447 N -5.12 0.42 -0.21 6.45 1.47 -1.26 -1.91 116.67 116.52 1s1h s ASP 447 Ca -0.14 -1.25 -0.04 0.00 1.18 0.00 0.00 52.55 52.30 1s1h s ASP 447 Cb 0.08 0.62 0.11 0.00 -0.34 0.00 0.00 42.92 43.39 1s1h s ASP 447 CO 0.67 -1.23 0.33 0.00 0.68 0.00 0.00 175.17 175.62 1s1h s PRO 449 N 2.49 1.91 0.25 0.00 0.04 -1.26 -2.00 135.00 136.42 1s1h s PRO 449 Ca 0.08 0.78 -0.31 0.00 0.04 0.00 0.00 61.00 61.59 1s1h s PRO 449 Cb -0.14 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 1s1h s PRO 449 CO -0.13 -1.78 1.38 0.00 0.04 0.00 0.00 177.00 176.50 1s1h n ALA 450 N -3.56 1.03 0.00 8.56 0.00 0.16 -2.91 120.51 123.79 1s1h n ALA 450 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1s1h n ALA 450 Cb 0.55 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1s1h n ALA 450 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1h n GLY 451 N 1.97 1.51 3.90 0.00 0.00 0.22 -4.82 105.19 107.97 1s1h n GLY 451 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 1s1h n GLY 451 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s1h s ASN 452 N -1.82 5.53 -0.07 1.61 -0.87 -1.15 -4.79 114.94 113.38 1s1h s ASN 452 Ca 0.00 -0.38 -0.04 0.00 -1.57 0.00 0.00 52.86 50.87 1s1h s ASN 452 Cb 0.00 -1.07 -0.04 0.00 -0.02 0.00 0.00 41.25 40.12 1s1h s ASN 452 CO 0.00 -0.37 0.11 -0.63 -2.57 0.00 0.00 177.10 173.64 1s1h s ILE 453 N -2.26 5.11 0.28 0.60 1.01 -1.26 -1.23 121.20 123.45 1s1h s ILE 453 Ca 0.42 -0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.83 1s1h s ILE 453 Cb -0.07 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 39.15 1s1h s ILE 453 CO 0.28 0.52 0.64 -0.51 0.00 0.00 0.00 174.94 175.87 1s1h s ILE 454 N -1.08 0.00 0.07 2.92 1.10 -0.49 -4.87 121.20 118.85 1s1h s ILE 454 Ca 0.18 -1.14 0.08 0.00 -0.51 0.00 0.00 60.65 59.26 1s1h s ILE 454 Cb -0.12 -2.12 -0.03 0.00 0.15 0.00 0.00 42.46 40.34 1s1h s ILE 454 CO 0.08 0.00 -0.23 -0.83 -2.11 0.00 0.00 174.94 171.85 1s1h s GLY 455 N -2.96 1.26 -0.08 1.50 0.00 -0.24 -1.69 107.32 105.11 1s1h s GLY 455 Ca 0.15 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 43.70 1s1h s GLY 455 CO 0.08 -1.14 -0.16 1.08 0.00 0.00 0.00 173.10 172.96 1s1h s LEU 456 N -1.46 1.80 -0.12 0.66 1.43 0.88 -0.95 118.68 120.92 1s1h s LEU 456 Ca 0.09 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1s1h s LEU 456 Cb -0.09 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 1s1h s LEU 456 CO 0.03 0.08 0.02 0.54 0.23 0.00 0.00 176.35 177.25 1s1h s VAL 457 N 0.56 4.46 0.00 -1.59 0.11 -0.72 -0.66 120.40 122.55 1s1h s VAL 457 Ca -0.16 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1s1h s VAL 457 Cb -0.17 -2.93 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 1s1h s VAL 457 CO 0.05 0.55 0.00 0.61 -3.33 0.00 0.00 175.10 172.99 1s1h n GLY 458 N 2.69 0.72 0.00 6.54 0.00 -1.26 -3.28 105.19 110.61 1s1h n GLY 458 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1s1h n GLY 458 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s1h n ILE 459 N -1.45 0.00 0.00 -0.61 2.08 -1.26 -4.79 119.36 113.33 1s1h n ILE 459 Ca 0.00 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1s1h n ILE 459 Cb 0.00 0.55 0.00 0.00 -0.75 0.00 0.00 39.64 39.44 1s1h n ILE 459 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1s1h n ASP 460 N -1.50 0.00 -0.17 4.38 9.92 -1.26 -2.39 116.55 125.52 1s1h n ASP 460 Ca 0.05 0.03 0.03 0.00 -0.53 0.00 0.00 54.79 54.36 1s1h n ASP 460 Cb 0.33 0.00 0.30 0.00 -0.64 0.00 0.00 41.12 41.12 1s1h n ASP 460 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1s1h h GLN 461 N 0.00 0.85 0.00 -1.24 3.07 -1.94 -2.95 115.11 112.90 1s1h h GLN 461 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1s1h h GLN 461 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.37 1s1h h GLN 461 CO 0.00 0.56 0.00 0.74 0.09 0.00 0.00 178.83 180.22 1s1h h PHE 462 N 0.87 0.00 -3.23 0.06 0.04 -1.81 -3.44 116.94 109.43 1s1h h PHE 462 Ca 0.26 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.94 1s1h h PHE 462 Cb -0.02 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 37.97 1s1h h PHE 462 CO -0.00 0.00 -0.21 -1.17 -0.60 0.00 0.00 178.31 176.33 1s1h s LEU 463 N -5.98 0.75 -0.16 1.54 2.96 -1.11 -4.91 118.68 111.76 1s1h s LEU 463 Ca -0.01 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 1s1h s LEU 463 Cb 0.10 1.46 0.08 0.00 0.50 0.00 0.00 46.19 48.34 1s1h s LEU 463 CO 0.46 -0.63 0.34 -0.76 -1.32 0.00 0.00 176.35 174.44 1s1h s LEU 464 N -2.06 -0.48 0.00 -0.68 1.43 -1.26 -4.69 118.68 110.94 1s1h s LEU 464 Ca -0.05 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1s1h s LEU 464 Cb -0.01 1.03 0.00 0.00 0.03 0.00 0.00 46.19 47.24 1s1h s LEU 464 CO -0.03 -0.24 0.00 0.29 0.23 0.00 0.00 176.35 176.60 1s1h n LYS 465 N 5.37 0.00 -1.57 1.70 5.02 0.53 0.79 118.16 130.00 1s1h n LYS 465 Ca -0.07 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.89 1s1h n LYS 465 Cb 0.50 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.57 1s1h n LYS 465 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1s1h s THR 466 N 0.00 3.10 0.00 -0.18 -4.23552.01 -3.20 115.64 663.14 1s1h s THR 466 Ca 0.00 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 1s1h s THR 466 Cb 0.00 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1s1h s THR 466 CO 0.00 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1s1h n GLY 467 N -0.52 1.09 3.28 3.99 0.00 -0.77 -4.57 105.19 107.69 1s1h n GLY 467 Ca 0.11 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 1s1h n GLY 467 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s1h s THR 468 N -2.38 -0.02 -0.19 2.61 2.01 -0.76 -2.18 115.64 114.73 1s1h s THR 468 Ca 0.00 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 1s1h s THR 468 Cb 0.00 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 1s1h s THR 468 CO 0.00 0.03 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.11 1s1h s LEU 469 N 1.13 2.75 0.15 4.42 1.02 0.14 -0.32 118.68 127.98 1s1h s LEU 469 Ca -0.07 -0.41 0.04 0.00 0.02 0.00 0.00 54.13 53.71 1s1h s LEU 469 Cb -0.07 -1.67 -0.05 0.00 0.02 0.00 0.00 46.19 44.42 1s1h s LEU 469 CO -0.10 0.03 -0.08 0.42 0.02 0.00 0.00 176.35 176.64 1s1h s THR 470 N 1.15 1.10 -0.12 5.49 -4.23 -0.44 -0.58 115.64 118.01 1s1h s THR 470 Ca 0.01 -2.05 0.14 0.00 -1.18 0.00 0.00 61.69 58.62 1s1h s THR 470 Cb -0.14 -1.91 0.24 0.00 1.34 0.00 0.00 72.50 72.02 1s1h s THR 470 CO -0.02 -0.69 1.14 1.07 -0.54 0.00 0.00 174.62 175.57 1s1h n THR 471 N -0.22 1.68 -5.02 3.99 5.66 -1.15 0.16 114.28 119.38 1s1h n THR 471 Ca -0.10 -1.90 -0.32 0.00 -3.05 0.00 0.00 64.05 58.68 1s1h n THR 471 Cb 0.61 -0.04 -0.17 0.00 -1.55 0.00 0.00 70.33 69.18 1s1h n THR 471 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1s1h s SER 472 N -2.31 3.13 0.49 1.09 0.15 -1.26 -4.82 113.70 110.16 1s1h s SER 472 Ca 0.25 -0.57 0.24 0.00 0.70 0.00 0.00 55.95 56.57 1s1h s SER 472 Cb 0.21 -1.43 1.26 0.00 -1.71 0.00 0.00 66.02 64.35 1s1h s SER 472 CO 0.03 0.13 2.01 -0.08 1.20 0.00 0.00 173.24 176.53 1s1h h GLU 473 N 6.92 0.00 0.00 5.44 4.81 -2.01 -1.53 114.58 128.21 1s1h h GLU 473 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1s1h h GLU 473 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1s1h h GLU 473 CO 0.50 0.17 -0.51 2.41 -0.73 0.00 0.00 179.01 180.85 1s1h n THR 474 N -3.76 0.34 -1.67 0.32 -1.04 -1.26 -4.90 114.28 102.30 1s1h n THR 474 Ca -0.02 -0.24 -0.51 0.00 -2.04 0.00 0.00 64.05 61.25 1s1h n THR 474 Cb 0.28 -0.16 -0.06 0.00 -1.82 0.00 0.00 70.33 68.57 1s1h n THR 474 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s1h n ALA 475 N -1.77 0.36 -1.96 2.41 0.00 -0.58 -4.95 120.51 114.02 1s1h n ALA 475 Ca 0.04 0.38 -0.25 0.00 0.00 0.00 0.00 53.44 53.62 1s1h n ALA 475 Cb 0.42 -2.32 0.09 0.00 0.00 0.00 0.00 19.45 17.65 1s1h n ALA 475 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1s1h s HIS 476 N 2.68 2.26 -0.01 0.00 2.46 -1.26 -4.67 115.29 116.75 1s1h s HIS 476 Ca 0.90 0.10 -0.17 0.00 0.47 0.00 0.00 55.06 56.36 1s1h s HIS 476 Cb -0.84 -3.18 -0.06 0.00 -0.13 0.00 0.00 32.58 28.37 1s1h s HIS 476 CO 0.52 -1.60 0.47 1.21 -2.47 0.00 0.00 174.74 172.87 1s1h s ASN 477 N -4.63 6.85 0.40 9.88 3.84 -1.26 -4.96 114.94 125.06 1s1h s ASN 477 Ca 0.64 1.01 -0.25 0.00 0.21 0.00 0.00 52.86 54.46 1s1h s ASN 477 Cb -0.08 -2.29 -0.08 0.00 -0.55 0.00 0.00 41.25 38.25 1s1h s ASN 477 CO 0.45 0.23 1.19 -0.04 -2.79 0.00 0.00 177.10 176.13 1s1h s MET 478 N -0.65 4.04 -0.06 0.43 -1.94 -1.26 -2.76 119.30 117.10 1s1h s MET 478 Ca 0.26 1.88 -0.05 0.00 -1.71 0.00 0.00 55.69 56.06 1s1h s MET 478 Cb -0.17 -2.68 -0.02 0.00 2.01 0.00 0.00 34.83 33.96 1s1h s MET 478 CO 0.14 -0.35 0.22 1.17 -0.01 0.00 0.00 175.02 176.20 1s1h n LYS 479 N 0.07 0.00 -2.68 2.03 4.81 0.26 -4.83 118.16 117.81 1s1h n LYS 479 Ca 0.04 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.09 1s1h n LYS 479 Cb 0.46 -0.18 0.01 0.00 0.02 0.00 0.00 35.03 35.35 1s1h n LYS 479 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1s1h n VAL 480 N 0.63 5.75 -0.80 3.15 0.24 -1.26 -5.04 118.33 121.00 1s1h n VAL 480 Ca 0.05 -5.94 0.00 0.00 -2.04 0.00 0.00 64.34 56.41 1s1h n VAL 480 Cb -0.01 -1.54 0.00 0.00 -1.47 0.00 0.00 33.84 30.82 1s1h n VAL 480 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1s1h n MET 481 N -0.06 0.00 -3.14 7.34 2.81 9.93 -5.13 117.12 128.87 1s1h n MET 481 Ca 0.45 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.95 1s1h n MET 481 Cb 0.28 -0.30 -0.05 0.00 -0.71 0.00 0.00 33.22 32.43 1s1h n MET 481 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1s1h s LYS 482 N -1.05 4.37 0.06 0.03 1.02 -1.26 -2.41 119.74 120.50 1s1h s LYS 482 Ca 0.00 0.81 0.07 0.00 0.02 0.00 0.00 55.97 56.87 1s1h s LYS 482 Cb 0.00 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 1s1h s LYS 482 CO 0.00 0.30 -0.19 -0.59 -0.92 0.00 0.00 175.35 173.95 1s1h s PHE 483 N 0.01 1.62 0.59 3.18 -0.12 -1.26 -4.72 117.98 117.27 1s1h s PHE 483 Ca 0.33 -0.38 -0.20 0.00 -0.05 0.00 0.00 56.93 56.63 1s1h s PHE 483 Cb -0.18 -0.94 -0.03 0.00 -0.63 0.00 0.00 43.02 41.23 1s1h s PHE 483 CO 0.18 0.10 1.34 0.45 -0.05 0.00 0.00 175.22 177.24 1s1h s SER 484 N -1.35 5.00 -0.03 1.98 0.15 1.17 -4.60 113.70 116.02 1s1h s SER 484 Ca 0.05 2.73 0.05 0.00 0.70 0.00 0.00 55.95 59.47 1s1h s SER 484 Cb -0.09 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.66 1s1h s SER 484 CO 0.02 -1.75 0.92 1.33 1.20 0.00 0.00 173.24 174.96 1s1h n VAL 485 N -1.37 0.61 -5.26 4.45 0.24 -1.26 -3.77 118.33 111.97 1s1h n VAL 485 Ca 0.12 -0.70 -0.31 0.00 -2.04 0.00 0.00 64.34 61.42 1s1h n VAL 485 Cb 0.46 0.44 -0.16 0.00 -1.47 0.00 0.00 33.84 33.11 1s1h n VAL 485 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1s1h s SER 486 N -1.22 3.16 -1.22 -1.34 0.01 -1.26 -5.03 113.70 106.80 1s1h s SER 486 Ca 0.08 -0.44 -0.10 0.00 1.31 0.00 0.00 55.95 56.80 1s1h s SER 486 Cb 0.07 -0.42 -0.07 0.00 0.21 0.00 0.00 66.02 65.82 1s1h s SER 486 CO 0.01 0.32 2.42 -2.65 0.41 0.00 0.00 173.24 173.75 1s1h n PRO 487 N 2.44 2.70 0.15 12.44 -0.02 -1.26 -4.01 135.00 147.45 1s1h n PRO 487 Ca -0.16 -1.87 0.12 0.00 -2.02 0.00 0.00 63.50 59.57 1s1h n PRO 487 Cb 0.51 -2.70 0.26 0.00 -0.02 0.00 0.00 33.50 31.55 1s1h n PRO 487 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1s1h h VAL 488 N 3.43 0.00 -3.65 -1.45 -1.51 -1.72 -3.41 116.25 107.93 1s1h h VAL 488 Ca 0.64 -0.74 -0.68 0.00 -1.23 0.00 0.00 66.70 64.69 1s1h h VAL 488 Cb 0.30 1.69 -0.19 0.00 -2.13 0.00 0.00 31.29 30.96 1s1h h VAL 488 CO 1.66 0.00 -0.40 -0.69 -1.23 0.00 0.00 177.57 176.91 1s1h s VAL 489 N -3.17 5.24 0.02 7.19 1.01 -0.76 -4.96 120.40 124.98 1s1h s VAL 489 Ca 0.08 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1s1h s VAL 489 Cb 0.09 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1s1h s VAL 489 CO 0.65 -0.11 -0.14 -1.10 0.00 0.00 0.00 175.10 174.39 1s1h s GLN 490 N 1.82 1.04 0.09 2.72 -0.21 -1.26 -0.09 119.66 123.77 1s1h s GLN 490 Ca 0.08 -0.67 -0.01 0.00 0.02 0.00 0.00 55.36 54.78 1s1h s GLN 490 Cb -0.17 -1.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.76 1s1h s GLN 490 CO 0.11 0.27 0.00 0.14 -2.12 0.00 0.00 175.29 173.69 1s1h s VAL 491 N -0.64 0.24 -0.05 1.09 -7.23 -0.67 -4.61 120.40 108.52 1s1h s VAL 491 Ca 0.03 -1.87 -0.15 0.00 -1.81 0.00 0.00 61.98 58.19 1s1h s VAL 491 Cb -0.07 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1s1h s VAL 491 CO 0.01 -0.76 0.38 0.00 -0.31 0.00 0.00 175.10 174.42 1s1h s ALA 492 N -3.93 3.66 -0.11 1.32 0.00 0.67 -1.46 121.76 121.90 1s1h s ALA 492 Ca 0.15 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1s1h s ALA 492 Cb 0.07 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.80 1s1h s ALA 492 CO -0.04 0.35 -0.18 0.08 0.00 0.00 0.00 175.76 175.97 1s1h s VAL 493 N -0.56 1.69 0.03 0.00 1.01 0.21 -1.72 120.40 121.07 1s1h s VAL 493 Ca 0.22 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1s1h s VAL 493 Cb -0.16 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1s1h s VAL 493 CO 0.11 0.48 -0.06 -0.70 0.00 0.00 0.00 175.10 174.93 1s1h s GLU 494 N 0.78 0.42 0.26 2.72 2.12 -0.61 -4.11 118.70 120.28 1s1h s GLU 494 Ca -0.10 -0.65 -0.29 0.00 0.36 0.00 0.00 54.97 54.29 1s1h s GLU 494 Cb -0.16 -0.13 -0.09 0.00 0.26 0.00 0.00 34.13 34.01 1s1h s GLU 494 CO 0.01 0.01 0.98 0.14 -0.54 0.00 0.00 175.26 175.86 1s1h s VAL 495 N -1.30 3.94 0.06 3.70 -7.23 -1.26 0.70 120.40 119.00 1s1h s VAL 495 Ca -0.11 1.92 0.21 0.00 -1.81 0.00 0.00 61.98 62.18 1s1h s VAL 495 Cb -0.09 -4.20 0.18 0.00 0.56 0.00 0.00 36.38 32.82 1s1h s VAL 495 CO -0.00 0.43 1.72 0.11 -0.31 0.00 0.00 175.10 177.05 1s1h h LYS 496 N 3.96 0.00 -4.79 4.82 1.57 -1.86 -3.40 116.57 116.88 1s1h h LYS 496 Ca -0.46 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.66 1s1h h LYS 496 Cb 1.20 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.13 1s1h h LYS 496 CO 0.67 0.31 -0.76 1.21 -0.57 0.00 0.00 179.45 180.31 1s1h s ASN 497 N -6.30 4.60 0.24 0.86 3.84 -1.26 -5.01 114.94 111.91 1s1h s ASN 497 Ca 0.01 -1.68 0.04 0.00 0.21 0.00 0.00 52.86 51.44 1s1h s ASN 497 Cb 0.10 -1.59 0.65 0.00 -0.55 0.00 0.00 41.25 39.86 1s1h s ASN 497 CO 0.67 -0.27 1.18 0.00 -2.79 0.00 0.00 177.10 175.89 1s1h n ALA 498 N 4.37 0.45 0.32 1.71 0.00 -1.26 0.64 120.51 126.75 1s1h n ALA 498 Ca -0.07 0.80 0.20 0.00 0.00 0.00 0.00 53.44 54.37 1s1h n ALA 498 Cb 0.42 -0.62 1.09 0.00 0.00 0.00 0.00 19.45 20.34 1s1h n ALA 498 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1s1h h ASN 499 N 0.00 0.00 0.38 0.00 2.35 -1.96 -2.30 115.58 114.04 1s1h h ASN 499 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 1s1h h ASN 499 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1s1h h ASN 499 CO -0.69 0.00 -0.07 0.47 -1.65 0.00 0.00 177.43 175.49 1s1h n ASP 500 N -3.19 0.34 -0.28 5.81 8.00 0.21 -4.31 116.55 123.13 1s1h n ASP 500 Ca -0.02 -0.52 0.02 0.00 0.71 0.00 0.00 54.79 54.97 1s1h n ASP 500 Cb 0.14 -0.11 0.09 0.00 -0.02 0.00 0.00 41.12 41.22 1s1h n ASP 500 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1s1h h LEU 501 N 0.42 -0.80 -1.35 0.64 3.38 -1.56 0.23 115.31 116.27 1s1h h LEU 501 Ca 0.00 0.24 0.19 0.00 0.09 0.00 0.00 57.88 58.40 1s1h h LEU 501 Cb 0.32 0.51 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 1s1h h LEU 501 CO 0.00 -0.27 0.60 -0.65 0.09 0.00 0.00 178.44 178.21 1s1h h PRO 502 N -0.01 0.53 -0.22 1.13 0.11 -1.86 0.15 132.00 131.82 1s1h h PRO 502 Ca 0.37 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 66.26 1s1h h PRO 502 Cb 0.58 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1s1h h PRO 502 CO -0.82 0.35 -0.61 0.87 -0.21 0.00 0.00 178.00 177.58 1s1h h LYS 503 N 0.54 0.81 0.12 1.05 1.57 -0.88 -2.04 116.57 117.73 1s1h h LYS 503 Ca 0.49 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1s1h h LYS 503 Cb 1.03 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1s1h h LYS 503 CO -0.23 1.19 -0.06 1.25 -0.57 0.00 0.00 179.45 181.04 1s1h h LEU 504 N 0.56 -0.13 -0.81 2.94 5.85 -0.43 0.30 115.31 123.59 1s1h h LEU 504 Ca -0.01 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.61 1s1h h LEU 504 Cb 1.23 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 1s1h h LEU 504 CO 0.13 0.11 0.46 0.58 -0.34 0.00 0.00 178.44 179.38 1s1h h VAL 505 N -0.38 0.92 -0.53 1.05 2.07 -1.09 0.91 116.25 119.20 1s1h h VAL 505 Ca -0.02 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 1s1h h VAL 505 Cb 0.31 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1s1h h VAL 505 CO 0.03 0.14 -0.12 -0.08 0.02 0.00 0.00 177.57 177.56 1s1h h GLU 506 N 0.79 1.02 -0.72 1.57 4.57 -1.21 -3.02 114.58 117.58 1s1h h GLU 506 Ca 0.38 -0.39 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1s1h h GLU 506 Cb 0.33 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1s1h h GLU 506 CO -0.24 1.07 0.47 0.78 -1.18 0.00 0.00 179.01 179.91 1s1h h GLY 507 N 0.89 1.03 0.83 1.92 0.00 0.14 -1.94 103.07 105.95 1s1h h GLY 507 Ca 0.14 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.16 1s1h h GLY 507 CO 0.05 0.33 0.63 1.41 0.00 0.00 0.00 176.54 178.97 1s1h h LEU 508 N 0.93 1.03 -0.38 3.11 3.38 -0.79 0.31 115.31 122.90 1s1h h LEU 508 Ca 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1s1h h LEU 508 Cb -0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1s1h h LEU 508 CO -0.08 0.67 -0.01 0.11 0.09 0.00 0.00 178.44 179.22 1s1h h LYS 509 N 1.17 0.68 -0.08 1.13 1.57 -1.32 -0.48 116.57 119.24 1s1h h LYS 509 Ca 0.41 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1s1h h LYS 509 Cb 0.11 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1s1h h LYS 509 CO -0.15 0.78 0.05 0.00 -0.57 0.00 0.00 179.45 179.56 1s1h h ARG 510 N 0.50 0.12 -0.27 3.15 3.08 -0.57 -0.82 114.38 119.56 1s1h h ARG 510 Ca 0.11 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.20 1s1h h ARG 510 Cb 0.48 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 1s1h h ARG 510 CO 0.02 0.15 -0.12 1.25 -1.07 0.00 0.00 179.97 180.20 1s1h h LEU 511 N 0.05 -0.40 -0.61 3.04 5.85 -0.28 -1.03 115.31 121.92 1s1h h LEU 511 Ca 0.03 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1s1h h LEU 511 Cb 0.07 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1s1h h LEU 511 CO -0.00 -0.15 0.36 0.28 -0.34 0.00 0.00 178.44 178.58 1s1h h SER 512 N -0.07 0.57 -0.03 1.25 0.02 -0.84 -1.32 113.55 113.12 1s1h h SER 512 Ca 0.14 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1s1h h SER 512 Cb 0.29 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1s1h h SER 512 CO -0.33 0.39 -0.12 0.11 -1.14 0.00 0.00 176.83 175.74 1s1h h LYS 513 N 0.70 0.32 0.00 3.45 1.57 3.16 -2.85 116.57 122.92 1s1h h LYS 513 Ca 0.26 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1s1h h LYS 513 Cb 0.07 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1s1h h LYS 513 CO -0.13 0.45 -0.35 0.66 -0.57 0.00 0.00 179.45 179.52 1s1h h SER 514 N 0.31 0.00 -3.24 0.86 4.64 -0.722353.35 113.55 2468.74 1s1h h SER 514 Ca 0.06 -0.04 -0.47 0.00 -0.47 0.00 0.00 61.79 60.87 1s1h h SER 514 Cb 0.41 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.12 1s1h h SER 514 CO 0.02 0.02 -0.77 -0.62 -0.87 0.00 0.00 176.83 174.61 1s1h s ASP 515 N -5.25 1.93 0.36 4.97 -1.08 -0.54 -4.33 116.67 112.72 1s1h s ASP 515 Ca 0.06 -0.25 0.17 0.00 -0.52 0.00 0.00 52.55 52.01 1s1h s ASP 515 Cb 0.09 -0.56 0.64 0.00 -1.46 0.00 0.00 42.92 41.63 1s1h s ASP 515 CO 0.69 -0.19 1.73 -0.65 0.52 0.00 0.00 175.17 177.26 1s1h h PRO 516 N 8.28 0.00 -0.01 4.34 0.11 -1.75 -3.21 132.00 139.76 1s1h h PRO 516 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1s1h h PRO 516 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1s1h h PRO 516 CO 0.30 0.42 -0.14 0.00 -0.21 0.00 0.00 178.00 178.37 1s1h s VAL 518 N -2.26 4.98 -0.04 0.00 0.11 -1.21 -4.32 120.40 117.66 1s1h s VAL 518 Ca 0.30 0.56 0.03 0.00 -2.93 0.00 0.00 61.98 59.94 1s1h s VAL 518 Cb 0.20 -3.67 0.01 0.00 -1.53 0.00 0.00 36.38 31.39 1s1h s VAL 518 CO 0.43 0.18 -0.11 -0.22 -3.33 0.00 0.00 175.10 172.05 1s1h s LEU 519 N -2.18 1.73 -0.02 2.54 2.96 -0.22 -4.92 118.68 118.58 1s1h s LEU 519 Ca 0.38 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1s1h s LEU 519 Cb -0.14 -0.67 0.00 0.00 0.50 0.00 0.00 46.19 45.88 1s1h s LEU 519 CO 0.20 0.06 -0.06 0.42 -1.32 0.00 0.00 176.35 175.65 1s1h s THR 520 N 0.34 0.54 0.22 3.68 -4.23 -1.26 0.92 115.64 115.85 1s1h s THR 520 Ca -0.07 -0.24 -0.22 0.00 -1.18 0.00 0.00 61.69 59.98 1s1h s THR 520 Cb -0.11 -0.49 0.04 0.00 1.34 0.00 0.00 72.50 73.28 1s1h s THR 520 CO 0.01 0.17 0.70 -0.72 -0.54 0.00 0.00 174.62 174.25 1s1h s TYR 521 N 0.14 -0.32 -0.12 3.99 -0.85 -0.59 -4.98 117.35 114.63 1s1h s TYR 521 Ca -0.02 -0.03 -0.18 0.00 -0.52 0.00 0.00 57.07 56.32 1s1h s TYR 521 Cb -0.06 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 1s1h s TYR 521 CO -0.00 -1.05 0.47 1.41 -1.52 0.00 0.00 175.55 174.86 1s1h s MET 522 N -3.79 4.34 0.76 -3.49 -2.45 -1.26 -0.15 119.30 113.25 1s1h s MET 522 Ca 0.07 0.44 -0.11 0.00 -1.25 0.00 0.00 55.69 54.85 1s1h s MET 522 Cb -0.04 -3.44 0.06 0.00 1.25 0.00 0.00 34.83 32.66 1s1h s MET 522 CO -0.01 0.16 1.12 -1.54 1.05 0.00 0.00 175.02 175.80 1s1h s SER 523 N 0.63 4.82 0.59 1.11 1.04 0.44 -4.90 113.70 117.42 1s1h s SER 523 Ca 0.26 0.81 0.34 0.00 0.48 0.00 0.00 55.95 57.84 1s1h s SER 523 Cb -0.15 -1.42 1.87 0.00 0.10 0.00 0.00 66.02 66.42 1s1h s SER 523 CO 0.10 -1.69 2.21 -0.08 0.98 0.00 0.00 173.24 174.77 1s1h h GLU 524 N -0.85 0.00 -0.64 4.02 4.57 -1.92 -1.20 114.58 118.55 1s1h h GLU 524 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1s1h h GLU 524 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1s1h h GLU 524 CO 0.64 0.04 0.00 0.43 -1.18 0.00 0.00 179.01 178.94 1s1h n SER 525 N -3.46 4.59 -0.65 1.04 7.64 -1.26 -4.93 113.62 116.59 1s1h n SER 525 Ca -0.02 -2.50 -0.06 0.00 1.01 0.00 0.00 58.87 57.30 1s1h n SER 525 Cb 0.15 -0.58 -0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1s1h n SER 525 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s1h n GLY 526 N 0.98 0.17 3.62 0.23 0.00 -0.45 -5.05 105.19 104.68 1s1h n GLY 526 Ca 0.24 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1s1h n GLY 526 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s1h s GLU 527 N -4.19 2.64 -0.16 1.61 2.02 -1.26 -4.86 118.70 114.51 1s1h s GLU 527 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 54.97 54.03 1s1h s GLU 527 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.66 1s1h s GLU 527 CO 0.00 0.62 1.10 -1.01 0.02 0.00 0.00 175.26 175.98 1s1h s HIS 528 N -0.99 3.27 -0.13 1.61 3.76 -1.26 -0.42 115.29 121.13 1s1h s HIS 528 Ca 0.17 1.38 -0.02 0.00 -0.15 0.00 0.00 55.06 56.43 1s1h s HIS 528 Cb -0.11 -3.31 -0.03 0.00 1.11 0.00 0.00 32.58 30.23 1s1h s HIS 528 CO 0.07 -0.77 -0.04 0.42 -0.85 0.00 0.00 174.74 173.58 1s1h s ILE 529 N 2.79 3.94 -0.13 0.60 -1.09 0.78 -0.62 121.20 127.47 1s1h s ILE 529 Ca 0.49 -0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.58 1s1h s ILE 529 Cb -0.19 -2.69 0.01 0.00 -1.58 0.00 0.00 42.46 38.01 1s1h s ILE 529 CO 0.13 0.53 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.46 1s1h s VAL 530 N -0.10 2.06 -0.04 2.92 1.01 -0.54 -1.54 120.40 124.17 1s1h s VAL 530 Ca 0.02 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.06 1s1h s VAL 530 Cb -0.13 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1s1h s VAL 530 CO 0.02 0.55 -0.19 0.00 0.00 0.00 0.00 175.10 175.49 1s1h s ALA 531 N 0.72 1.63 0.36 5.51 0.00 0.26 -1.67 121.76 128.57 1s1h s ALA 531 Ca -0.09 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.17 1s1h s ALA 531 Cb -0.16 -0.52 -0.07 0.00 0.00 0.00 0.00 23.12 22.37 1s1h s ALA 531 CO 0.00 0.31 -0.00 0.20 0.00 0.00 0.00 175.76 176.27 1s1h s GLY 532 N -0.05 2.26 0.29 0.00 0.00 0.87 -1.05 107.32 109.64 1s1h s GLY 532 Ca -0.02 -2.16 0.02 0.00 0.00 0.00 0.00 44.72 42.55 1s1h s GLY 532 CO 0.02 -1.98 1.76 -0.84 0.00 0.00 0.00 173.10 172.06 1s1h h THR 533 N 1.96 1.24 -3.51 0.90 2.02 -1.75 -1.93 112.91 111.84 1s1h h THR 533 Ca -0.42 -1.09 -0.09 0.00 0.77 0.00 0.00 66.41 65.57 1s1h h THR 533 Cb 1.24 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.74 1s1h h THR 533 CO 0.75 0.36 0.02 -0.83 0.37 0.00 0.00 175.52 176.19 1s1h s GLY 534 N -3.90 0.69 0.17 2.16 0.00 -1.26 -4.51 107.32 100.67 1s1h s GLY 534 Ca -0.08 -0.96 -0.14 0.00 0.00 0.00 0.00 44.72 43.55 1s1h s GLY 534 CO 0.79 -0.57 1.79 0.83 0.00 0.00 0.00 173.10 175.94 1s1h h GLU 535 N 2.10 0.51 -0.21 2.90 3.07 -1.95 0.33 114.58 121.32 1s1h h GLU 535 Ca -0.28 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.53 1s1h h GLU 535 Cb 1.25 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 1s1h h GLU 535 CO 0.36 0.33 0.06 1.25 -1.40 0.00 0.00 179.01 179.62 1s1h h LEU 536 N 0.52 0.31 -0.17 1.33 5.85 -1.94 0.25 115.31 121.46 1s1h h LEU 536 Ca 0.21 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1s1h h LEU 536 Cb 0.08 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1s1h h LEU 536 CO -0.12 0.45 0.05 -0.74 -0.34 0.00 0.00 178.44 177.73 1s1h h HIS 537 N 0.16 0.09 -0.56 1.25 2.76 -1.70 -0.69 115.15 116.45 1s1h h HIS 537 Ca 0.07 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.27 1s1h h HIS 537 Cb 0.25 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 1s1h h HIS 537 CO 0.01 0.04 0.34 1.25 -1.30 0.00 0.00 177.93 178.26 1s1h h LEU 538 N 0.13 0.55 -0.55 0.26 5.85 -0.81 -1.28 115.31 119.45 1s1h h LEU 538 Ca 0.08 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1s1h h LEU 538 Cb 0.06 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1s1h h LEU 538 CO -0.09 0.38 0.26 -0.08 -0.34 0.00 0.00 178.44 178.57 1s1h h GLU 539 N 0.67 0.47 -0.52 1.25 4.81 -0.40 0.39 114.58 121.26 1s1h h GLU 539 Ca 0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1s1h h GLU 539 Cb 0.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1s1h h GLU 539 CO -0.10 0.31 0.27 0.82 -0.73 0.00 0.00 179.01 179.59 1s1h h ILE 540 N 0.49 1.18 -0.44 2.32 1.08 -0.63 -1.50 117.51 120.02 1s1h h ILE 540 Ca 0.25 -0.48 0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1s1h h ILE 540 Cb 0.20 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.48 1s1h h ILE 540 CO -0.20 0.20 0.26 0.00 -0.69 0.00 0.00 178.15 177.72 1s1h h LEU 542 N 0.52 0.51 0.16 0.00 3.38 -0.71 -0.02 115.31 119.15 1s1h h LEU 542 Ca 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1s1h h LEU 542 Cb 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1s1h h LEU 542 CO -0.08 0.71 -0.08 1.56 0.09 0.00 0.00 178.44 180.64 1s1h h GLN 543 N 0.47 -0.21 -0.22 1.13 4.20 -0.92 -1.58 115.11 117.99 1s1h h GLN 543 Ca 0.08 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1s1h h GLN 543 Cb 0.58 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1s1h h GLN 543 CO 0.04 0.12 0.07 -0.44 -0.67 0.00 0.00 178.83 177.95 1s1h h ASP 544 N -0.57 0.27 0.59 1.46 3.32 -1.16 -0.40 116.42 119.93 1s1h h ASP 544 Ca -0.02 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1s1h h ASP 544 Cb 0.43 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.92 1s1h h ASP 544 CO 0.04 0.26 -0.28 0.25 -1.72 0.00 0.00 179.24 177.79 1s1h h LEU 545 N 0.30 -0.67 -0.86 1.55 5.85 -0.86 0.12 115.31 120.73 1s1h h LEU 545 Ca 0.08 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1s1h h LEU 545 Cb 0.09 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1s1h h LEU 545 CO -0.01 -0.31 0.55 -0.08 -0.34 0.00 0.00 178.44 178.26 1s1h h GLU 546 N -1.09 1.15 0.00 1.25 4.81 -1.14 0.57 114.58 120.13 1s1h h GLU 546 Ca -0.08 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1s1h h GLU 546 Cb 0.66 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1s1h h GLU 546 CO 0.13 0.78 -0.04 1.25 -0.73 0.00 0.00 179.01 180.41 1s1h h HIS 547 N 1.18 0.00 0.00 0.92 2.76 -1.11 -1.40 115.15 117.50 1s1h h HIS 547 Ca 0.31 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1s1h h HIS 547 Cb -0.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1s1h h HIS 547 CO -0.01 0.71 -0.21 -0.25 -1.30 0.00 0.00 177.93 176.88 1s1h n ASP 548 N -4.65 0.45 -0.31 3.26 8.00 0.20 -3.70 116.55 119.78 1s1h n ASP 548 Ca -0.08 0.07 -0.07 0.00 0.71 0.00 0.00 54.79 55.42 1s1h n ASP 548 Cb 0.34 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 40.92 1s1h n ASP 548 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1s1h h HIS 549 N -0.21 -1.43 0.01 1.24 3.86 -1.00 -3.02 115.15 114.60 1s1h h HIS 549 Ca 0.00 0.10 -0.37 0.00 -1.16 0.00 0.00 60.37 58.95 1s1h h HIS 549 Cb 0.21 0.74 -0.07 0.00 1.06 0.00 0.00 27.41 29.35 1s1h h HIS 549 CO -0.09 -0.41 -2.33 0.00 0.86 0.00 0.00 177.93 175.97 1s1h n ALA 550 N -3.27 1.46 -3.86 2.45 0.00 0.20 -4.01 120.51 113.47 1s1h n ALA 550 Ca 0.04 -1.19 -0.29 0.00 0.00 0.00 0.00 53.44 52.00 1s1h n ALA 550 Cb 0.34 -0.25 0.04 0.00 0.00 0.00 0.00 19.45 19.57 1s1h n ALA 550 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1h n GLY 551 N 1.87 -0.51 3.20 0.00 0.00 -0.84 -4.71 105.19 104.21 1s1h n GLY 551 Ca -0.35 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1s1h n GLY 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s1h s VAL 552 N -3.30 0.09 0.32 1.61 1.01 -0.59 -4.96 120.40 114.58 1s1h s VAL 552 Ca 0.65 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1s1h s VAL 552 Cb -0.32 -0.81 -0.12 0.00 0.00 0.00 0.00 36.38 35.12 1s1h s VAL 552 CO 0.81 -0.41 1.41 -2.65 0.00 0.00 0.00 175.10 174.26 1s1h n PRO 553 N 0.84 2.32 -4.18 2.72 -0.02 -1.26 -4.69 135.00 130.73 1s1h n PRO 553 Ca -0.20 0.82 -0.16 0.00 -2.02 0.00 0.00 63.50 61.94 1s1h n PRO 553 Cb 0.58 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.47 1s1h n PRO 553 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s1h s LEU 554 N -0.91 2.37 -0.18 2.45 1.43 -1.26 -2.99 118.68 119.58 1s1h s LEU 554 Ca 0.59 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1s1h s LEU 554 Cb -0.55 -0.40 -0.01 0.00 0.03 0.00 0.00 46.19 45.26 1s1h s LEU 554 CO 0.58 -0.19 -0.11 -0.75 0.23 0.00 0.00 176.35 176.11 1s1h s LYS 555 N -2.44 3.30 -0.12 1.70 2.20 0.22 -4.83 119.74 119.77 1s1h s LYS 555 Ca 0.03 -0.69 -0.03 0.00 -0.36 0.00 0.00 55.97 54.93 1s1h s LYS 555 Cb -0.05 -2.77 -0.03 0.00 -1.51 0.00 0.00 37.83 33.47 1s1h s LYS 555 CO 0.01 -0.04 -0.02 0.42 -0.36 0.00 0.00 175.35 175.37 1s1h s ILE 556 N 0.99 4.13 0.17 5.43 -1.09 -1.26 -1.57 121.20 128.00 1s1h s ILE 556 Ca -0.01 -0.29 -0.17 0.00 -2.23 0.00 0.00 60.65 57.94 1s1h s ILE 556 Cb -0.15 -2.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.99 1s1h s ILE 556 CO -0.01 0.55 0.48 -0.94 -1.23 0.00 0.00 174.94 173.78 1s1h s SER 557 N -0.26 -0.27 0.14 3.58 1.04 -0.70 -4.99 113.70 112.24 1s1h s SER 557 Ca 0.05 -0.39 -0.31 0.00 0.48 0.00 0.00 55.95 55.78 1s1h s SER 557 Cb -0.12 0.54 -0.09 0.00 0.10 0.00 0.00 66.02 66.44 1s1h s SER 557 CO 0.02 -0.97 1.56 -2.84 0.98 0.00 0.00 173.24 171.99 1s1h s PRO 558 N -3.84 4.23 0.30 4.02 0.02 -1.26 -0.24 135.00 138.23 1s1h s PRO 558 Ca 0.07 2.32 -0.29 0.00 0.02 0.00 0.00 61.00 63.11 1s1h s PRO 558 Cb 0.00 -3.24 -0.13 0.00 0.02 0.00 0.00 34.50 31.15 1s1h s PRO 558 CO -0.07 -0.61 1.38 -0.35 -0.33 0.00 0.00 177.00 177.03 1s1h n PRO 559 N 4.25 2.20 -2.21 5.54 -0.04 -1.26 -4.73 135.00 138.76 1s1h n PRO 559 Ca 0.14 0.78 -0.41 0.00 -0.04 0.00 0.00 63.50 63.96 1s1h n PRO 559 Cb 0.39 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 1s1h n PRO 559 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1s1h s VAL 560 N -0.60 3.14 -0.11 0.52 1.01 -1.26 -5.00 120.40 118.10 1s1h s VAL 560 Ca 0.61 0.97 -0.14 0.00 0.00 0.00 0.00 61.98 63.42 1s1h s VAL 560 Cb -0.58 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1s1h s VAL 560 CO 0.56 0.16 0.32 -0.69 0.00 0.00 0.00 175.10 175.45 1s1h s VAL 561 N -0.08 5.25 0.18 2.92 1.01 -1.26 -4.77 120.40 123.65 1s1h s VAL 561 Ca 0.55 0.62 -0.18 0.00 0.00 0.00 0.00 61.98 62.97 1s1h s VAL 561 Cb -0.37 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 1s1h s VAL 561 CO 0.40 0.46 0.65 0.00 0.00 0.00 0.00 175.10 176.61 1s1h s ALA 562 N -0.09 3.49 0.38 5.51 0.00 -1.26 -5.04 121.76 124.76 1s1h s ALA 562 Ca 0.19 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.24 1s1h s ALA 562 Cb -0.14 -2.70 -0.06 0.00 0.00 0.00 0.00 23.12 20.23 1s1h s ALA 562 CO 0.07 0.38 0.05 0.71 0.00 0.00 0.00 175.76 176.96 1s1h s TYR 563 N -1.45 2.09 0.08 0.00 2.02 -1.26 -4.26 117.35 114.56 1s1h s TYR 563 Ca 0.39 -0.92 0.07 0.00 -0.37 0.00 0.00 57.07 56.24 1s1h s TYR 563 Cb -0.17 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 1s1h s TYR 563 CO 0.20 0.12 -0.18 1.03 -1.57 0.00 0.00 175.55 175.15 1s1h s ARG 564 N -3.81 1.05 -0.22 -0.62 3.00 -0.69 -4.22 118.95 113.44 1s1h s ARG 564 Ca 0.30 -1.02 -0.07 0.00 0.00 0.00 0.00 55.73 54.95 1s1h s ARG 564 Cb 0.07 -1.19 -0.03 0.00 0.00 0.00 0.00 34.95 33.80 1s1h s ARG 564 CO 0.15 0.28 0.05 -1.21 0.00 0.00 0.00 175.30 174.57 1s1h s GLU 565 N -1.66 3.73 0.28 3.54 2.02 0.51 -0.28 118.70 126.84 1s1h s GLU 565 Ca 0.04 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 54.61 1s1h s GLU 565 Cb -0.10 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 1s1h s GLU 565 CO 0.03 -0.01 0.16 -2.37 0.02 0.00 0.00 175.26 173.08 1s1h n THR 566 N 4.37 0.00 -4.80 3.63 5.66 0.35 -1.32 114.28 122.18 1s1h n THR 566 Ca -0.16 -1.79 -0.25 0.00 -3.05 0.00 0.00 64.05 58.80 1s1h n THR 566 Cb 0.52 0.76 -0.16 0.00 -1.55 0.00 0.00 70.33 69.90 1s1h n THR 566 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1s1h s VAL 567 N -2.84 1.35 -0.24 1.08 -7.23 -1.26 -1.16 120.40 110.10 1s1h s VAL 567 Ca 0.22 -0.70 0.20 0.00 -1.81 0.00 0.00 61.98 59.88 1s1h s VAL 567 Cb 0.01 -1.14 0.07 0.00 0.56 0.00 0.00 36.38 35.88 1s1h s VAL 567 CO 0.16 0.39 1.22 -0.08 -0.31 0.00 0.00 175.10 176.47 1s1h h GLU 568 N 5.96 0.00 0.00 4.82 4.57 -0.96 -3.38 114.58 125.59 1s1h h GLU 568 Ca -0.35 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.76 1s1h h GLU 568 Cb 1.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1s1h h GLU 568 CO 0.48 0.17 0.04 -1.13 -1.18 0.00 0.00 179.01 177.39 1s1h n SER 569 N -2.94 -0.87 -4.80 1.04 3.41 -1.06 -4.79 113.62 103.60 1s1h n SER 569 Ca -0.01 -1.81 -0.33 0.00 -0.26 0.00 0.00 58.87 56.46 1s1h n SER 569 Cb 0.65 1.52 0.01 0.00 -0.26 0.00 0.00 64.21 66.12 1s1h n SER 569 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1s1h s GLU 570 N -2.20 3.33 0.09 4.33 2.12 -1.26 -4.26 118.70 120.85 1s1h s GLU 570 Ca 0.10 1.28 -0.33 0.00 0.36 0.00 0.00 54.97 56.38 1s1h s GLU 570 Cb -0.01 -2.03 -0.12 0.00 0.26 0.00 0.00 34.13 32.23 1s1h s GLU 570 CO 0.07 -0.81 1.78 0.43 -0.54 0.00 0.00 175.26 176.19 1s1h n SER 571 N -1.87 3.66 0.16 -1.70 7.64 0.04 -4.52 113.62 117.03 1s1h n SER 571 Ca 0.09 1.01 0.09 0.00 1.01 0.00 0.00 58.87 61.07 1s1h n SER 571 Cb 0.53 -1.48 0.47 0.00 -1.01 0.00 0.00 64.21 62.72 1s1h n SER 571 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1s1h n SER 572 N 5.24 0.45 -3.50 6.43 3.41 -0.48 -4.64 113.62 120.53 1s1h n SER 572 Ca 0.19 0.66 -0.11 0.00 -0.26 0.00 0.00 58.87 59.35 1s1h n SER 572 Cb 0.33 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 1s1h n SER 572 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s1h s GLN 573 N -3.43 0.91 0.20 4.33 -2.07 -1.26 -5.14 119.66 113.21 1s1h s GLN 573 Ca -0.02 -0.17 -0.32 0.00 -1.82 0.00 0.00 55.36 53.03 1s1h s GLN 573 Cb 0.05 0.42 -0.13 0.00 -1.09 0.00 0.00 33.01 32.26 1s1h s GLN 573 CO 0.16 -0.36 1.54 2.41 -1.32 0.00 0.00 175.29 177.71 1s1h n THR 574 N 0.08 0.41 -3.12 3.63 -1.04 -1.26 -4.91 114.28 108.07 1s1h n THR 574 Ca -0.12 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.05 61.39 1s1h n THR 574 Cb 0.61 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.47 1s1h n THR 574 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s1h s ALA 575 N 0.53 3.39 -0.08 2.41 0.00 0.14 -4.91 121.76 123.24 1s1h s ALA 575 Ca 0.73 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.79 1s1h s ALA 575 Cb -0.63 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1s1h s ALA 575 CO 0.42 -0.04 -0.18 -1.17 0.00 0.00 0.00 175.76 174.80 1s1h s LEU 576 N 0.58 1.86 0.00 0.00 2.96 -1.26 -1.58 118.68 121.25 1s1h s LEU 576 Ca 0.34 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 1s1h s LEU 576 Cb -0.17 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.42 1s1h s LEU 576 CO 0.17 0.10 0.08 -0.44 -1.32 0.00 0.00 176.35 174.94 1s1h s SER 577 N 0.47 0.08 0.26 3.68 0.01 -1.06 -0.23 113.70 116.91 1s1h s SER 577 Ca -0.15 -0.26 0.11 0.00 1.31 0.00 0.00 55.95 56.95 1s1h s SER 577 Cb -0.16 0.17 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 1s1h s SER 577 CO 0.06 -0.32 -0.20 -1.59 0.41 0.00 0.00 173.24 171.60 1s1h s LYS 578 N -1.29 1.61 0.78 12.44 -2.85 -1.26 -1.51 119.74 127.67 1s1h s LYS 578 Ca -0.14 -1.71 -0.12 0.00 -1.00 0.00 0.00 55.97 53.00 1s1h s LYS 578 Cb -0.08 -1.70 0.06 0.00 -2.06 0.00 0.00 37.83 34.06 1s1h s LYS 578 CO 0.01 0.32 1.12 -1.54 0.10 0.00 0.00 175.35 175.36 1s1h s SER 579 N -3.36 4.69 0.25 0.03 1.04 -0.03 -4.69 113.70 111.63 1s1h s SER 579 Ca 0.28 1.06 -0.02 0.00 0.48 0.00 0.00 55.95 57.74 1s1h s SER 579 Cb -0.05 -1.73 0.47 0.00 0.10 0.00 0.00 66.02 64.81 1s1h s SER 579 CO 0.13 -1.82 1.78 -0.65 0.98 0.00 0.00 173.24 173.67 1s1h h PRO 580 N -0.99 0.68 -0.97 4.02 0.11 -1.89 0.25 132.00 133.21 1s1h h PRO 580 Ca -0.47 -0.04 0.24 0.00 0.11 0.00 0.00 66.00 65.85 1s1h h PRO 580 Cb 1.29 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1s1h h PRO 580 CO 0.63 0.45 0.65 -0.91 -0.21 0.00 0.00 178.00 178.60 1s1h h ASN 581 N 0.70 0.33 0.00 -2.05 2.35 -1.91 -3.45 115.58 111.55 1s1h h ASN 581 Ca 0.43 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1s1h h ASN 581 Cb 0.52 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1s1h h ASN 581 CO -0.31 0.10 0.00 0.29 -1.65 0.00 0.00 177.43 175.86 1s1h n LYS 582 N -4.49 -0.05 0.04 0.81 5.02 0.88 -4.87 118.16 115.51 1s1h n LYS 582 Ca 0.21 0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.59 1s1h n LYS 582 Cb 0.83 -2.81 -0.08 0.00 -0.02 0.00 0.00 35.03 32.96 1s1h n LYS 582 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1s1h n HIS 583 N -2.34 0.62 -4.62 2.13 8.25 -1.26 -4.86 115.22 113.13 1s1h n HIS 583 Ca 0.00 0.19 -0.31 0.00 -0.26 0.00 0.00 57.72 57.34 1s1h n HIS 583 Cb 0.01 -0.85 -0.12 0.00 1.12 0.00 0.00 29.99 30.15 1s1h n HIS 583 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1s1h s ASN 584 N -5.20 4.04 0.02 0.41 -0.87 -1.26 -3.99 114.94 108.09 1s1h s ASN 584 Ca -0.04 -0.33 0.01 0.00 -1.57 0.00 0.00 52.86 50.93 1s1h s ASN 584 Cb 0.10 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.25 40.56 1s1h s ASN 584 CO 0.83 0.27 -0.04 -0.13 -2.57 0.00 0.00 177.10 175.46 1s1h s ARG 585 N -1.39 0.36 -0.04 -0.60 0.52 -0.34 -0.85 118.95 116.61 1s1h s ARG 585 Ca 0.15 -0.58 0.04 0.00 -0.52 0.00 0.00 55.73 54.82 1s1h s ARG 585 Cb -0.11 -0.05 -0.00 0.00 0.52 0.00 0.00 34.95 35.31 1s1h s ARG 585 CO 0.06 -0.01 -0.16 0.42 0.02 0.00 0.00 175.30 175.63 1s1h s ILE 586 N -1.25 1.30 -0.15 1.52 1.01 -0.57 -1.35 121.20 121.71 1s1h s ILE 586 Ca -0.12 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1s1h s ILE 586 Cb -0.09 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 41.26 1s1h s ILE 586 CO -0.00 0.38 -0.15 -0.31 0.00 0.00 0.00 174.94 174.86 1s1h s TYR 587 N 0.01 2.79 0.26 3.97 2.02 0.86 -2.57 117.35 124.70 1s1h s TYR 587 Ca -0.02 -0.99 -0.16 0.00 -0.37 0.00 0.00 57.07 55.53 1s1h s TYR 587 Cb -0.10 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1s1h s TYR 587 CO 0.01 -0.45 0.57 -0.48 -1.57 0.00 0.00 175.55 173.64 1s1h s LEU 588 N 0.78 0.09 -0.00 -1.29 0.05 -0.61 -0.26 118.68 117.44 1s1h s LEU 588 Ca -0.06 -0.81 -0.03 0.00 0.05 0.00 0.00 54.13 53.29 1s1h s LEU 588 Cb -0.15 2.15 -0.00 0.00 -2.05 0.00 0.00 46.19 46.13 1s1h s LEU 588 CO 0.00 -1.22 0.05 -0.54 -0.55 0.00 0.00 176.35 174.09 1s1h s LYS 589 N -3.97 0.26 0.17 1.48 1.02 -0.97 0.26 119.74 117.99 1s1h s LYS 589 Ca 0.18 -0.28 0.07 0.00 0.02 0.00 0.00 55.97 55.96 1s1h s LYS 589 Cb -0.03 0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 1s1h s LYS 589 CO 0.08 -0.05 0.04 0.00 -0.92 0.00 0.00 175.35 174.50 1s1h s ALA 590 N -0.84 3.31 0.12 5.17 0.00 -1.26 -0.91 121.76 127.35 1s1h s ALA 590 Ca -0.09 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.36 1s1h s ALA 590 Cb -0.06 -1.10 0.04 0.00 0.00 0.00 0.00 23.12 22.01 1s1h s ALA 590 CO 0.00 0.49 0.45 -1.83 0.00 0.00 0.00 175.76 174.87 1s1h s GLU 591 N -2.99 1.10 0.42 0.00 -1.05 0.38 -0.78 118.70 115.78 1s1h s GLU 591 Ca 0.28 -0.61 -0.25 0.00 -0.15 0.00 0.00 54.97 54.25 1s1h s GLU 591 Cb -0.09 0.49 -0.08 0.00 -0.44 0.00 0.00 34.13 34.01 1s1h s GLU 591 CO 0.20 -0.44 1.21 -2.14 0.95 0.00 0.00 175.26 175.04 1s1h s PRO 592 N -3.64 3.92 -0.18 -4.83 0.02 -1.26 -0.51 135.00 128.51 1s1h s PRO 592 Ca 0.02 1.92 -0.09 0.00 0.02 0.00 0.00 61.00 62.86 1s1h s PRO 592 Cb 0.01 -2.61 -0.05 0.00 0.02 0.00 0.00 34.50 31.87 1s1h s PRO 592 CO -0.11 -0.46 0.14 0.42 -0.33 0.00 0.00 177.00 176.66 1s1h s ILE 593 N -1.40 5.43 0.47 2.83 1.01 0.06 -4.74 121.20 124.86 1s1h s ILE 593 Ca 0.59 0.21 -0.24 0.00 0.00 0.00 0.00 60.65 61.21 1s1h s ILE 593 Cb -0.32 -3.46 -0.08 0.00 0.01 0.00 0.00 42.46 38.61 1s1h s ILE 593 CO 0.41 0.48 1.35 -0.67 0.00 0.00 0.00 174.94 176.51 1s1h n ASP 594 N 3.15 2.85 -0.23 3.58 -0.08 -1.26 -4.75 116.55 119.81 1s1h n ASP 594 Ca -0.17 1.07 0.02 0.00 -1.51 0.00 0.00 54.79 54.20 1s1h n ASP 594 Cb 0.53 -1.56 0.10 0.00 2.34 0.00 0.00 41.12 42.53 1s1h n ASP 594 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1s1h h GLU 595 N 1.95 0.06 -0.11 -0.67 4.39 -1.97 0.26 114.58 118.49 1s1h h GLU 595 Ca -0.50 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.20 1s1h h GLU 595 Cb 1.29 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1s1h h GLU 595 CO 0.59 0.04 0.06 0.93 -1.16 0.00 0.00 179.01 179.47 1s1h h GLU 596 N 0.06 0.15 -0.01 2.33 4.39 -1.99 0.11 114.58 119.63 1s1h h GLU 596 Ca 0.35 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.95 1s1h h GLU 596 Cb 0.57 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1s1h h GLU 596 CO -0.63 0.11 -0.34 0.28 -1.16 0.00 0.00 179.01 177.27 1s1h h VAL 597 N 0.15 1.50 -0.75 3.13 2.07 -1.34 -1.06 116.25 119.96 1s1h h VAL 597 Ca 0.04 -1.95 0.08 0.00 0.82 0.00 0.00 66.70 65.69 1s1h h VAL 597 Cb 0.01 2.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.38 1s1h h VAL 597 CO -0.01 0.54 0.41 0.28 0.02 0.00 0.00 177.57 178.82 1s1h h SER 598 N -0.37 0.58 -0.66 0.57 0.02 -0.70 0.16 113.55 113.16 1s1h h SER 598 Ca -0.04 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1s1h h SER 598 Cb 1.07 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 1s1h h SER 598 CO 0.07 0.34 0.19 -0.07 -1.14 0.00 0.00 176.83 176.22 1s1h h LEU 599 N 0.71 1.00 -0.99 5.07 4.07 -0.79 0.43 115.31 124.81 1s1h h LEU 599 Ca 0.36 -0.19 -0.05 0.00 0.08 0.00 0.00 57.88 58.07 1s1h h LEU 599 Cb 0.31 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 1s1h h LEU 599 CO -0.23 0.95 0.17 0.00 -1.08 0.00 0.00 178.44 178.24 1s1h h ALA 600 N 1.18 1.19 0.01 1.53 0.00 0.29 -0.17 119.26 123.28 1s1h h ALA 600 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s1h h ALA 600 Cb 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1s1h h ALA 600 CO -0.00 0.56 -0.01 0.82 0.00 0.00 0.00 179.25 180.63 1s1h h ILE 601 N 0.87 1.41 -0.35 0.00 2.04 -0.16 0.22 117.51 121.55 1s1h h ILE 601 Ca 0.19 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1s1h h ILE 601 Cb 0.27 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1s1h h ILE 601 CO -0.01 0.33 0.17 -0.33 0.00 0.00 0.00 178.15 178.32 1s1h h GLU 602 N -0.57 0.48 -0.54 2.37 5.08 -0.81 -2.97 114.58 117.61 1s1h h GLU 602 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1s1h h GLU 602 Cb 0.56 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1s1h h GLU 602 CO 0.00 0.37 0.00 0.09 -1.00 0.00 0.00 179.01 178.48 1s1h n ASN 603 N -4.43 3.28 0.00 1.42 3.02 -0.09 -4.97 115.26 113.49 1s1h n ASN 603 Ca 0.02 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1s1h n ASN 603 Cb 0.11 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 1s1h n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s1h n GLY 604 N 1.48 0.72 0.14 7.41 0.00 -1.04 -4.97 105.19 108.93 1s1h n GLY 604 Ca 0.20 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1s1h n GLY 604 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1s1h h ILE 605 N 0.00 0.93 -3.67 -0.61 5.03 -0.83 -3.43 117.51 114.93 1s1h h ILE 605 Ca 0.00 -2.47 -0.68 0.00 -0.12 0.00 0.00 64.86 61.59 1s1h h ILE 605 Cb 0.00 2.73 -0.31 0.00 -3.03 0.00 0.00 36.82 36.21 1s1h h ILE 605 CO 0.00 0.82 -0.68 -0.63 -0.68 0.00 0.00 178.15 176.98 1s1h s ILE 606 N -2.55 3.25 0.07 -0.67 1.01 -0.93 -5.00 121.20 116.38 1s1h s ILE 606 Ca -0.18 -1.17 0.08 0.00 0.00 0.00 0.00 60.65 59.39 1s1h s ILE 606 Cb 0.05 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1s1h s ILE 606 CO 0.82 -0.03 -0.18 0.20 0.00 0.00 0.00 174.94 175.75 1s1h s ASN 607 N 1.33 3.82 0.28 3.58 0.01 -1.26 -4.24 114.94 118.46 1s1h s ASN 607 Ca -0.02 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.66 1s1h s ASN 607 Cb -0.19 -0.59 0.55 0.00 0.41 0.00 0.00 41.25 41.44 1s1h s ASN 607 CO -0.01 0.23 1.82 -0.65 -1.51 0.00 0.00 177.10 176.99 1s1h h PRO 608 N 4.28 0.89 -0.04 -0.60 0.11 -1.92 -2.51 132.00 132.22 1s1h h PRO 608 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1s1h h PRO 608 Cb 1.16 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1s1h h PRO 608 CO 0.47 0.59 0.00 0.54 -0.21 0.00 0.00 178.00 179.39 1s1h n ARG 609 N -4.67 1.93 -1.30 1.05 5.12 -1.26 -4.96 116.66 112.58 1s1h n ARG 609 Ca 0.19 -1.36 -0.32 0.00 -1.93 0.00 0.00 57.85 54.42 1s1h n ARG 609 Cb 0.37 -1.47 0.10 0.00 -1.16 0.00 0.00 32.46 30.30 1s1h n ARG 609 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1s1h s ASP 610 N -1.97 4.24 0.05 0.55 1.01 -0.95 -4.88 116.67 114.71 1s1h s ASP 610 Ca 0.34 2.07 -0.33 0.00 0.71 0.00 0.00 52.55 55.33 1s1h s ASP 610 Cb 0.21 -2.55 -0.12 0.00 1.01 0.00 0.00 42.92 41.46 1s1h s ASP 610 CO 0.32 -2.22 1.76 -0.67 0.21 0.00 0.00 175.17 174.57 1s1h n ASP 611 N -3.22 3.42 -0.09 0.27 2.03 -1.26 -4.83 116.55 112.87 1s1h n ASP 611 Ca 0.11 1.02 0.15 0.00 0.52 0.00 0.00 54.79 56.58 1s1h n ASP 611 Cb 0.52 -1.42 0.54 0.00 -0.72 0.00 0.00 41.12 40.03 1s1h n ASP 611 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1s1h h PHE 612 N 7.87 0.37 0.44 -0.67 -5.15 -1.95 -1.14 116.94 116.72 1s1h h PHE 612 Ca -0.47 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.29 1s1h h PHE 612 Cb 1.26 -0.12 0.00 0.00 0.22 0.00 0.00 35.95 37.31 1s1h h PHE 612 CO 0.77 0.16 -0.21 -0.22 -2.00 0.00 0.00 178.31 176.81 1s1h h LYS 613 N 0.33 -0.57 -0.61 6.09 3.64 -1.93 -1.49 116.57 122.03 1s1h h LYS 613 Ca 0.30 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1s1h h LYS 613 Cb 0.73 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1s1h h LYS 613 CO -0.08 -0.29 0.39 0.00 -2.27 0.00 0.00 179.45 177.21 1s1h h ALA 614 N -0.85 1.54 -0.49 5.00 0.00 -1.91 -2.03 119.26 120.52 1s1h h ALA 614 Ca -0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1s1h h ALA 614 Cb 0.55 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1s1h h ALA 614 CO 0.10 0.42 0.09 -0.09 0.00 0.00 0.00 179.25 179.77 1s1h h ARG 615 N 0.83 0.80 -0.80 0.00 2.43 -1.24 -2.61 114.38 113.79 1s1h h ARG 615 Ca 0.22 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1s1h h ARG 615 Cb -0.07 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 1s1h h ARG 615 CO -0.05 0.80 0.52 0.00 -1.51 0.00 0.00 179.97 179.73 1s1h h ALA 616 N 0.97 1.02 -0.91 2.80 0.00 -0.59 -1.47 119.26 121.09 1s1h h ALA 616 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1s1h h ALA 616 Cb 0.38 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1s1h h ALA 616 CO 0.01 0.39 0.60 0.00 0.00 0.00 0.00 179.25 180.24 1s1h h ARG 617 N 1.05 1.17 -0.08 0.00 2.47 -1.14 0.42 114.38 118.28 1s1h h ARG 617 Ca 0.30 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 1s1h h ARG 617 Cb -0.08 -0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 27.98 1s1h h ARG 617 CO -0.08 0.78 -0.00 0.82 0.56 0.00 0.00 179.97 182.04 1s1h h ILE 618 N 1.21 1.26 -0.59 2.04 2.04 -1.07 0.37 117.51 122.76 1s1h h ILE 618 Ca 0.34 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1s1h h ILE 618 Cb -0.11 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1s1h h ILE 618 CO -0.08 0.23 0.33 0.24 0.00 0.00 0.00 178.15 178.87 1s1h h MET 619 N -0.16 0.80 0.07 2.37 2.86 -0.97 0.33 114.93 120.24 1s1h h MET 619 Ca 0.02 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1s1h h MET 619 Cb 0.36 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1s1h h MET 619 CO 0.00 0.59 -0.03 0.00 1.06 0.00 0.00 176.91 178.53 1s1h h ALA 620 N 1.55 -0.10 -0.16 6.32 0.00 -0.79 -0.73 119.26 125.34 1s1h h ALA 620 Ca 0.21 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1s1h h ALA 620 Cb 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1s1h h ALA 620 CO -0.04 -0.11 -0.44 -0.44 0.00 0.00 0.00 179.25 178.23 1s1h h ASP 621 N -0.99 0.42 0.00 0.00 3.32 -0.25 -2.65 116.42 116.29 1s1h h ASP 621 Ca -0.01 -0.19 -0.37 0.00 0.02 0.00 0.00 57.03 56.47 1s1h h ASP 621 Cb 0.38 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 1s1h h ASP 621 CO 0.02 0.81 -2.41 0.47 -1.72 0.00 0.00 179.24 176.41 1s1h n ASP 622 N -4.00 0.56 -0.63 6.45 10.43 0.11 -4.61 116.55 124.86 1s1h n ASP 622 Ca -0.02 -0.04 0.06 0.00 2.57 0.00 0.00 54.79 57.37 1s1h n ASP 622 Cb 0.52 0.60 0.16 0.00 1.84 0.00 0.00 41.12 44.24 1s1h n ASP 622 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1s1h n TYR 623 N -2.89 0.51 -1.24 1.24 4.01 -0.81 -5.01 117.16 112.98 1s1h n TYR 623 Ca -0.36 -0.58 -0.08 0.00 -0.16 0.00 0.00 57.90 56.71 1s1h n TYR 623 Cb 1.11 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 40.02 1s1h n TYR 623 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s1h n GLY 624 N 0.20 0.96 3.88 2.72 0.00 -0.86 -4.89 105.19 107.19 1s1h n GLY 624 Ca 0.13 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1s1h n GLY 624 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1s1h s TRP 625 N -2.14 3.42 -0.05 1.61 0.52 -0.35 -4.95 118.94 117.00 1s1h s TRP 625 Ca 0.00 1.08 -0.29 0.00 0.02 0.00 0.00 56.10 56.91 1s1h s TRP 625 Cb 0.00 -2.91 -0.02 0.00 -1.15 0.00 0.00 33.47 29.38 1s1h s TRP 625 CO 0.00 -0.98 0.97 0.34 0.02 0.00 0.00 176.95 177.30 1s1h s ASP 626 N -4.29 7.28 0.45 2.95 2.15 -1.26 -4.18 116.67 119.77 1s1h s ASP 626 Ca 0.57 1.57 0.14 0.00 0.43 0.00 0.00 52.55 55.25 1s1h s ASP 626 Cb -0.11 -2.55 1.06 0.00 -0.30 0.00 0.00 42.92 41.02 1s1h s ASP 626 CO 0.52 -0.33 2.02 1.62 -0.17 0.00 0.00 175.17 178.83 1s1h h VAL 627 N 4.93 0.94 -0.24 1.11 3.04 -1.93 -1.18 116.25 122.92 1s1h h VAL 627 Ca -0.37 -0.12 -0.06 0.00 -1.01 0.00 0.00 66.70 65.15 1s1h h VAL 627 Cb 1.19 0.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 1s1h h VAL 627 CO 0.80 0.06 -0.08 0.74 -1.01 0.00 0.00 177.57 178.07 1s1h h THR 628 N 0.34 1.29 -0.45 3.17 2.02 -1.95 0.10 112.91 117.43 1s1h h THR 628 Ca 0.21 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.29 1s1h h THR 628 Cb 0.38 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1s1h h THR 628 CO -0.05 0.35 0.25 0.44 0.37 0.00 0.00 175.52 176.88 1s1h h ASP 629 N 0.22 0.39 -0.46 4.18 3.32 -1.74 -1.27 116.42 121.05 1s1h h ASP 629 Ca 0.06 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1s1h h ASP 629 Cb 0.56 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1s1h h ASP 629 CO 0.03 0.28 0.22 0.00 -1.72 0.00 0.00 179.24 178.05 1s1h h ALA 630 N 1.22 0.59 0.00 3.45 0.00 -1.07 -1.97 119.26 121.48 1s1h h ALA 630 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1s1h h ALA 630 Cb 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1s1h h ALA 630 CO -0.11 0.15 -0.10 0.00 0.00 0.00 0.00 179.25 179.20 1s1h h ARG 631 N 0.60 0.00 -0.91 0.00 3.08 -0.69 -2.86 114.38 113.59 1s1h h ARG 631 Ca 0.16 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.81 1s1h h ARG 631 Cb 0.11 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.92 1s1h h ARG 631 CO -0.02 0.10 0.51 1.63 -1.07 0.00 0.00 179.97 181.12 1s1h n LYS 632 N -3.62 2.78 -2.49 0.04 5.02 -0.51 -4.95 118.16 114.44 1s1h n LYS 632 Ca -0.02 -2.99 -0.42 0.00 -2.02 0.00 0.00 58.31 52.87 1s1h n LYS 632 Cb 0.22 -2.18 -0.03 0.00 -0.02 0.00 0.00 35.03 33.01 1s1h n LYS 632 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1s1h s ILE 633 N -3.13 4.13 0.02 -0.18 -5.25 -1.08 -1.79 121.20 113.91 1s1h s ILE 633 Ca 0.56 1.60 0.10 0.00 -0.99 0.00 0.00 60.65 61.91 1s1h s ILE 633 Cb 0.46 -4.02 -0.23 0.00 2.95 0.00 0.00 42.46 41.62 1s1h s ILE 633 CO 0.12 0.16 0.89 -0.50 -1.79 0.00 0.00 174.94 173.82 1s1h h TRP 634 N 6.38 0.03 -1.45 1.37 4.06 0.03 -3.48 115.95 122.89 1s1h h TRP 634 Ca -0.42 -0.02 0.28 0.00 2.06 0.00 0.00 58.89 60.79 1s1h h TRP 634 Cb 1.21 -0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.21 1s1h h TRP 634 CO 0.66 1.03 0.82 0.00 -3.56 0.00 0.00 178.44 177.39 1s1h s PHE 636 N -2.41 3.08 0.06 0.00 2.99 -1.26 -2.36 117.98 118.07 1s1h s PHE 636 Ca 0.11 -0.06 -0.21 0.00 0.00 0.00 0.00 56.93 56.78 1s1h s PHE 636 Cb 0.01 -1.46 0.05 0.00 0.00 0.00 0.00 43.02 41.62 1s1h s PHE 636 CO -0.04 0.52 0.48 0.20 -0.00 0.00 0.00 175.22 176.38 1s1h s GLY 637 N -3.20 -0.38 0.91 4.36 0.00 -0.73 -3.68 107.32 104.60 1s1h s GLY 637 Ca 0.31 0.46 -0.15 0.00 0.00 0.00 0.00 44.72 45.34 1s1h s GLY 637 CO 0.23 0.17 1.27 -4.14 0.00 0.00 0.00 173.10 170.62 1s1h s PRO 638 N -2.62 1.06 -1.37 2.90 0.02 -1.26 -2.84 135.00 130.89 1s1h s PRO 638 Ca -0.04 -0.21 0.00 0.00 0.02 0.00 0.00 61.00 60.77 1s1h s PRO 638 Cb -0.00 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1s1h s PRO 638 CO -0.03 -2.16 0.00 -0.25 -0.33 0.00 0.00 177.00 174.22 1s1h n ASP 639 N -3.64 -4.33 0.00 2.53 8.00 -1.26 -1.48 116.55 116.36 1s1h n ASP 639 Ca 0.12 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1s1h n ASP 639 Cb 0.60 -3.74 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 1s1h n ASP 639 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s1h n GLY 640 N -0.69 0.39 0.00 0.44 0.00 -1.24 -4.72 105.19 99.37 1s1h n GLY 640 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1s1h n GLY 640 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s1h n ASN 641 N -0.08 0.00 -4.79 1.61 0.23 -0.85 -4.30 115.26 107.08 1s1h n ASN 641 Ca 0.00 -1.00 -0.29 0.00 -0.53 0.00 0.00 54.58 52.76 1s1h n ASN 641 Cb 0.04 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 37.87 1s1h n ASN 641 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1s1h s GLY 642 N 0.00 1.58 -0.74 4.83 0.00 -0.55 -4.80 107.32 107.65 1s1h s GLY 642 Ca 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 44.72 44.19 1s1h s GLY 642 CO 0.00 0.08 3.21 -1.55 0.00 0.00 0.00 173.10 174.83 1s1h n PRO 643 N -3.71 2.68 -3.85 2.90 -0.04 -1.23 -3.38 135.00 128.38 1s1h n PRO 643 Ca 0.07 -1.51 -0.12 0.00 -0.04 0.00 0.00 63.50 61.90 1s1h n PRO 643 Cb 0.59 -2.35 -0.11 0.00 -0.04 0.00 0.00 33.50 31.59 1s1h n PRO 643 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1s1h s ASN 644 N 2.16 -0.06 0.02 3.54 -0.87 -1.13 0.13 114.94 118.73 1s1h s ASN 644 Ca 0.65 0.03 -0.03 0.00 -1.57 0.00 0.00 52.86 51.95 1s1h s ASN 644 Cb 0.24 0.27 -0.02 0.00 -0.02 0.00 0.00 41.25 41.72 1s1h s ASN 644 CO -0.03 -0.23 0.03 -0.76 -2.57 0.00 0.00 177.10 173.54 1s1h s LEU 645 N -0.73 2.04 -0.18 0.60 1.43 -0.32 -1.77 118.68 119.74 1s1h s LEU 645 Ca -0.08 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1s1h s LEU 645 Cb -0.05 0.33 -0.01 0.00 0.03 0.00 0.00 46.19 46.49 1s1h s LEU 645 CO 0.01 -0.38 -0.10 -0.69 0.23 0.00 0.00 176.35 175.41 1s1h s VAL 646 N -1.89 3.02 -0.14 -1.59 1.01 -0.99 -0.10 120.40 119.71 1s1h s VAL 646 Ca -0.11 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1s1h s VAL 646 Cb -0.06 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 1s1h s VAL 646 CO -0.02 0.48 -0.17 -0.63 0.00 0.00 0.00 175.10 174.76 1s1h s ILE 647 N 1.04 2.51 -0.27 2.22 1.09 0.31 0.81 121.20 128.92 1s1h s ILE 647 Ca -0.00 -0.83 -0.29 0.00 -1.10 0.00 0.00 60.65 58.43 1s1h s ILE 647 Cb -0.15 -2.04 0.01 0.00 -1.06 0.00 0.00 42.46 39.23 1s1h s ILE 647 CO -0.02 0.53 1.04 -0.62 -0.10 0.00 0.00 174.94 175.77 1s1h s ASP 648 N 0.71 7.01 -0.12 3.58 2.15 -0.74 -1.54 116.67 127.72 1s1h s ASP 648 Ca -0.08 1.22 0.17 0.00 0.43 0.00 0.00 52.55 54.29 1s1h s ASP 648 Cb -0.16 -2.53 0.27 0.00 -0.30 0.00 0.00 42.92 40.20 1s1h s ASP 648 CO 0.01 -0.74 1.14 0.00 -0.17 0.00 0.00 175.17 175.41 1s1h n GLN 649 N 6.52 1.18 -1.68 4.34 6.02 -0.45 -4.89 117.38 128.43 1s1h n GLN 649 Ca 0.12 -2.49 -0.30 0.00 -0.01 0.00 0.00 57.00 54.32 1s1h n GLN 649 Cb 0.47 -1.41 0.07 0.00 1.02 0.00 0.00 30.24 30.39 1s1h n GLN 649 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1s1h s THR 650 N -2.63 3.29 0.04 5.09 -4.23 -1.07 -4.73 115.64 111.40 1s1h s THR 650 Ca 0.30 0.42 -0.00 0.00 -1.18 0.00 0.00 61.69 61.22 1s1h s THR 650 Cb 0.26 -3.25 -0.00 0.00 1.34 0.00 0.00 72.50 70.84 1s1h s THR 650 CO 0.02 -0.55 -0.01 0.29 -0.54 0.00 0.00 174.62 173.83 1s1h n LYS 651 N -3.26 0.02 -2.62 3.99 5.02 -1.26 -4.94 118.16 115.11 1s1h n LYS 651 Ca 0.07 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.14 1s1h n LYS 651 Cb 0.56 -0.53 -0.00 0.00 -0.02 0.00 0.00 35.03 35.04 1s1h n LYS 651 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s1h n ALA 652 N -3.28 4.53 -2.52 7.82 0.00 -1.26 -5.02 120.51 120.78 1s1h n ALA 652 Ca -0.01 -4.11 -0.43 0.00 0.00 0.00 0.00 53.44 48.89 1s1h n ALA 652 Cb 0.27 -0.67 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 1s1h n ALA 652 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s1h s VAL 653 N -4.75 4.81 0.13 0.00 1.01 -1.26 -4.97 120.40 115.38 1s1h s VAL 653 Ca 0.44 0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 1s1h s VAL 653 Cb 0.39 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1s1h s VAL 653 CO -0.13 -0.60 1.63 1.56 0.00 0.00 0.00 175.10 177.56 1s1h h GLN 654 N 8.88 -0.35 -0.94 2.72 4.20 -1.95 -2.94 115.11 124.73 1s1h h GLN 654 Ca -0.25 0.02 -0.51 0.00 0.06 0.00 0.00 58.65 57.98 1s1h h GLN 654 Cb 1.09 0.08 -0.29 0.00 0.30 0.00 0.00 27.48 28.66 1s1h h GLN 654 CO 0.90 -0.23 0.60 0.66 -0.67 0.00 0.00 178.83 180.09 1s1h n TYR 655 N -5.38 2.92 0.00 2.96 4.01 -1.26 -4.67 117.16 115.74 1s1h n TYR 655 Ca -0.04 -1.94 -0.11 0.00 -0.16 0.00 0.00 57.90 55.65 1s1h n TYR 655 Cb 0.29 -0.95 -0.04 0.00 -0.31 0.00 0.00 39.34 38.32 1s1h n TYR 655 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1s1h h LEU 656 N 1.10 -1.04 -1.99 7.72 5.85 -1.94 -1.40 115.31 123.61 1s1h h LEU 656 Ca 0.60 0.15 0.18 0.00 0.84 0.00 0.00 57.88 59.64 1s1h h LEU 656 Cb 2.57 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 44.02 1s1h h LEU 656 CO 1.09 -0.37 0.49 1.12 -0.34 0.00 0.00 178.44 180.43 1s1h h HIS 657 N -0.41 0.00 0.00 1.25 2.07 -1.85 -0.57 115.15 115.64 1s1h h HIS 657 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 1s1h h HIS 657 Cb 0.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 1s1h h HIS 657 CO -0.42 0.00 -0.01 0.39 -3.07 0.00 0.00 177.93 174.82 1s1h n GLU 658 N -4.09 0.01 0.00 5.12 1.02 -0.53 -3.37 120.64 118.81 1s1h n GLU 658 Ca 0.12 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.31 1s1h n GLU 658 Cb 0.73 -1.52 0.03 0.00 -0.02 0.00 0.00 31.44 30.67 1s1h n GLU 658 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1s1h n ILE 659 N -1.54 0.00 0.13 -3.67 -5.35 -0.24 -4.73 119.36 103.95 1s1h n ILE 659 Ca 0.07 -0.48 -0.14 0.00 -0.27 0.00 0.00 62.75 61.93 1s1h n ILE 659 Cb 0.34 1.18 -0.07 0.00 -1.74 0.00 0.00 39.64 39.36 1s1h n ILE 659 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1s1h h LYS 660 N 1.67 -0.60 -0.96 6.28 3.64 -1.52 0.32 116.57 125.41 1s1h h LYS 660 Ca 0.00 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.55 1s1h h LYS 660 Cb 0.37 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.24 1s1h h LYS 660 CO 0.00 -0.40 0.58 -0.44 -2.27 0.00 0.00 179.45 176.92 1s1h h ASP 661 N -0.62 0.83 -0.24 4.20 3.32 -1.85 0.11 116.42 122.17 1s1h h ASP 661 Ca 0.02 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1s1h h ASP 661 Cb 0.64 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1s1h h ASP 661 CO -0.20 0.42 0.08 0.28 -1.72 0.00 0.00 179.24 178.10 1s1h h SER 662 N 0.89 0.35 -0.50 6.45 0.02 -1.72 -0.11 113.55 118.94 1s1h h SER 662 Ca 0.49 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1s1h h SER 662 Cb 0.54 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1s1h h SER 662 CO -0.29 0.45 0.33 0.58 -1.14 0.00 0.00 176.83 176.75 1s1h h VAL 663 N 0.23 1.13 0.02 2.27 2.07 0.23 -0.72 116.25 121.48 1s1h h VAL 663 Ca 0.08 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1s1h h VAL 663 Cb 0.22 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1s1h h VAL 663 CO -0.00 0.13 -0.01 0.58 0.02 0.00 0.00 177.57 178.28 1s1h h VAL 664 N 0.67 1.01 -0.47 2.57 2.07 -0.66 -1.79 116.25 119.64 1s1h h VAL 664 Ca 0.18 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.68 1s1h h VAL 664 Cb -0.07 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1s1h h VAL 664 CO -0.04 0.02 0.20 0.00 0.02 0.00 0.00 177.57 177.77 1s1h h ALA 665 N 0.93 0.59 -0.89 1.67 0.00 -0.79 -1.00 119.26 119.77 1s1h h ALA 665 Ca -0.00 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1s1h h ALA 665 Cb 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1s1h h ALA 665 CO 0.00 -0.17 0.57 0.00 0.00 0.00 0.00 179.25 179.66 1s1h h ALA 666 N 1.28 1.19 -0.62 0.00 0.00 -0.93 -1.70 119.26 118.49 1s1h h ALA 666 Ca 0.22 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1s1h h ALA 666 Cb 0.18 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1s1h h ALA 666 CO -0.19 0.41 0.12 0.35 0.00 0.00 0.00 179.25 179.94 1s1h h PHE 667 N 1.10 1.04 -0.52 0.00 3.57 -0.41 0.14 116.94 121.86 1s1h h PHE 667 Ca 0.36 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 1s1h h PHE 667 Cb 0.04 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 1s1h h PHE 667 CO -0.02 0.87 0.22 1.96 -2.23 0.00 0.00 178.31 179.11 1s1h h GLN 668 N 0.94 0.74 0.20 1.11 1.08 -0.48 0.17 115.11 118.88 1s1h h GLN 668 Ca 0.19 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1s1h h GLN 668 Cb 0.38 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1s1h h GLN 668 CO 0.01 0.60 -0.10 2.35 -0.95 0.00 0.00 178.83 180.74 1s1h h TRP 669 N 0.74 -0.25 -0.80 2.96 2.91 -0.50 -2.68 115.95 118.32 1s1h h TRP 669 Ca 0.18 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.16 1s1h h TRP 669 Cb 0.13 0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.83 1s1h h TRP 669 CO 0.01 0.13 0.37 0.00 -1.03 0.00 0.00 178.44 177.92 1s1h h ALA 670 N -0.10 1.03 0.00 2.65 0.00 -0.49 -1.57 119.26 120.79 1s1h h ALA 670 Ca -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1s1h h ALA 670 Cb 0.50 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1s1h h ALA 670 CO 0.05 0.61 -0.13 1.79 0.00 0.00 0.00 179.25 181.56 1s1h h THR 671 N 1.14 0.30 0.09 0.00 1.35 -1.06 -2.84 112.91 111.89 1s1h h THR 671 Ca 0.27 -0.95 -0.26 0.00 -0.55 0.00 0.00 66.41 64.92 1s1h h THR 671 Cb 0.13 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1s1h h THR 671 CO -0.03 0.13 -1.16 0.50 -0.25 0.00 0.00 175.52 174.70 1s1h h LYS 672 N 0.00 0.26 -3.60 4.72 1.63 -1.07 -0.06 116.57 118.44 1s1h h LYS 672 Ca -0.00 -0.41 -0.62 0.00 -0.85 0.00 0.00 60.65 58.78 1s1h h LYS 672 Cb 0.74 0.15 -0.40 0.00 -0.60 0.00 0.00 32.23 32.11 1s1h h LYS 672 CO 0.02 1.17 -0.72 -2.00 -3.45 0.00 0.00 179.45 174.46 1s1h s GLU 673 N -2.77 1.25 0.78 1.90 2.12 -0.64 -3.64 118.70 117.70 1s1h s GLU 673 Ca -0.04 -1.77 -0.12 0.00 0.36 0.00 0.00 54.97 53.40 1s1h s GLU 673 Cb 0.08 -2.56 0.07 0.00 0.26 0.00 0.00 34.13 31.97 1s1h s GLU 673 CO 0.87 -1.05 1.13 0.20 -0.54 0.00 0.00 175.26 175.87 1s1h s GLY 674 N 0.78 1.90 0.04 -1.50 0.00 0.11 -4.64 107.32 104.01 1s1h s GLY 674 Ca 0.14 0.53 0.28 0.00 0.00 0.00 0.00 44.72 45.67 1s1h s GLY 674 CO -0.09 0.91 1.88 -1.55 0.00 0.00 0.00 173.10 174.25 1s1h n PRO 675 N -3.34 0.05 0.23 2.90 -0.04 -1.26 -1.17 135.00 132.37 1s1h n PRO 675 Ca 0.11 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1s1h n PRO 675 Cb 0.52 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 1s1h n PRO 675 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1s1h h ILE 676 N 0.00 0.12 -0.02 0.52 2.04 -1.92 -3.43 117.51 114.82 1s1h h ILE 676 Ca 0.00 -0.54 -0.15 0.00 1.00 0.00 0.00 64.86 65.16 1s1h h ILE 676 Cb 0.54 0.19 -0.22 0.00 -0.74 0.00 0.00 36.82 36.59 1s1h h ILE 676 CO 0.00 0.03 -0.55 2.22 0.00 0.00 0.00 178.15 179.85 1s1h n PHE 677 N -5.21 -0.14 -1.01 1.37 -0.00 -1.26 -4.88 117.46 106.33 1s1h n PHE 677 Ca -0.09 -0.71 -0.00 0.00 -0.00 0.00 0.00 57.45 56.65 1s1h n PHE 677 Cb 0.28 0.38 -0.00 0.00 -0.00 0.00 0.00 39.48 40.13 1s1h n PHE 677 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1s1h n GLY 678 N -0.05 0.47 3.90 4.97 0.00 -0.31 -4.94 105.19 109.23 1s1h n GLY 678 Ca -0.15 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1s1h n GLY 678 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s1h s GLU 679 N -0.44 3.25 0.50 1.61 0.41 -1.26 -4.08 118.70 118.69 1s1h s GLU 679 Ca 0.00 0.24 -0.23 0.00 -0.41 0.00 0.00 54.97 54.58 1s1h s GLU 679 Cb 0.00 -2.25 -0.06 0.00 -1.78 0.00 0.00 34.13 30.04 1s1h s GLU 679 CO 0.00 -0.53 1.27 -1.21 -0.49 0.00 0.00 175.26 174.29 1s1h s GLU 680 N -4.97 3.47 0.51 1.61 2.02 -1.24 0.05 118.70 120.15 1s1h s GLU 680 Ca 0.52 2.03 -0.12 0.00 0.02 0.00 0.00 54.97 57.42 1s1h s GLU 680 Cb -0.11 -2.36 -0.06 0.00 0.10 0.00 0.00 34.13 31.71 1s1h s GLU 680 CO 0.47 -0.86 0.92 -1.64 0.02 0.00 0.00 175.26 174.17 1s1h s MET 681 N -2.77 3.76 -0.11 1.61 -1.94 -0.04 -0.36 119.30 119.45 1s1h s MET 681 Ca 0.67 0.69 -0.09 0.00 -1.71 0.00 0.00 55.69 55.25 1s1h s MET 681 Cb -0.35 -2.21 0.03 0.00 2.01 0.00 0.00 34.83 34.31 1s1h s MET 681 CO 0.42 -0.29 0.29 0.50 -0.01 0.00 0.00 175.02 175.94 1s1h s ARG 682 N -4.39 0.32 -1.43 2.03 3.52 -0.43 -4.74 118.95 113.82 1s1h s ARG 682 Ca 0.55 0.45 -0.04 0.00 -0.13 0.00 0.00 55.73 56.55 1s1h s ARG 682 Cb -0.10 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 1s1h s ARG 682 CO 0.39 -0.07 0.55 0.43 -0.81 0.00 0.00 175.30 175.79 1s1h n SER 683 N 3.23 -5.76 -4.46 -2.12 7.64 0.12 -4.31 113.62 107.96 1s1h n SER 683 Ca -0.16 -0.26 -0.36 0.00 1.01 0.00 0.00 58.87 59.11 1s1h n SER 683 Cb 0.57 -4.59 -0.12 0.00 -1.01 0.00 0.00 64.21 59.06 1s1h n SER 683 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1s1h s VAL 684 N -3.13 4.16 -0.16 0.44 1.01 -1.23 -0.76 120.40 120.74 1s1h s VAL 684 Ca 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1s1h s VAL 684 Cb -0.12 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1s1h s VAL 684 CO 0.34 0.39 -0.04 -0.60 0.00 0.00 0.00 175.10 175.19 1s1h s ARG 685 N 1.24 3.66 -0.12 2.72 3.52 0.33 -1.18 118.95 129.13 1s1h s ARG 685 Ca 0.04 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.13 1s1h s ARG 685 Cb -0.15 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.33 1s1h s ARG 685 CO 0.02 0.24 -0.18 0.08 -0.81 0.00 0.00 175.30 174.65 1s1h s VAL 686 N 0.37 2.60 -0.29 7.11 1.01 0.86 -0.47 120.40 131.59 1s1h s VAL 686 Ca -0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1s1h s VAL 686 Cb -0.14 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1s1h s VAL 686 CO 0.03 0.54 0.05 0.20 0.00 0.00 0.00 175.10 175.92 1s1h s ASN 687 N 0.41 4.97 -0.51 3.32 0.02 -0.09 -0.53 114.94 122.53 1s1h s ASN 687 Ca -0.13 -0.79 -0.29 0.00 -1.02 0.00 0.00 52.86 50.63 1s1h s ASN 687 Cb -0.17 -1.83 0.03 0.00 0.02 0.00 0.00 41.25 39.30 1s1h s ASN 687 CO 0.06 -0.19 1.22 -0.63 0.02 0.00 0.00 177.10 177.58 1s1h s ILE 688 N 1.45 4.06 0.02 0.60 1.01 -0.59 -2.30 121.20 125.45 1s1h s ILE 688 Ca 0.01 1.02 -0.13 0.00 0.00 0.00 0.00 60.65 61.56 1s1h s ILE 688 Cb -0.17 -4.58 -0.33 0.00 0.01 0.00 0.00 42.46 37.38 1s1h s ILE 688 CO 0.01 -1.11 0.94 -0.07 0.00 0.00 0.00 174.94 174.71 1s1h h LEU 689 N 11.78 0.73 -7.00 2.97 3.38 -0.91 -1.12 115.31 125.13 1s1h h LEU 689 Ca -0.25 -0.84 0.05 0.00 0.09 0.00 0.00 57.88 56.94 1s1h h LEU 689 Cb 1.07 -0.24 -0.18 0.00 0.09 0.00 0.00 40.66 41.40 1s1h h LEU 689 CO 1.15 1.67 0.42 -0.62 0.09 0.00 0.00 178.44 181.15 1s1h s ASP 690 N -7.44 -0.44 -0.04 -0.43 2.15 -0.96 -4.16 116.67 105.34 1s1h s ASP 690 Ca -0.10 0.27 -0.02 0.00 0.43 0.00 0.00 52.55 53.14 1s1h s ASP 690 Cb 0.05 0.41 0.03 0.00 -0.30 0.00 0.00 42.92 43.11 1s1h s ASP 690 CO 0.92 -0.56 0.10 -0.69 -0.17 0.00 0.00 175.17 174.76 1s1h s VAL 691 N -2.14 -0.05 -0.16 1.11 1.01 -1.26 -0.10 120.40 118.82 1s1h s VAL 691 Ca -0.01 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 1s1h s VAL 691 Cb -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.20 1s1h s VAL 691 CO -0.02 0.07 -0.14 0.42 0.00 0.00 0.00 175.10 175.43 1s1h s THR 692 N 1.02 2.76 0.17 3.92 -4.23 -0.46 -4.85 115.64 113.97 1s1h s THR 692 Ca -0.08 -0.74 0.10 0.00 -1.18 0.00 0.00 61.69 59.79 1s1h s THR 692 Cb -0.11 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 1s1h s THR 692 CO -0.04 0.51 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.58 1s1h s LEU 693 N 0.82 2.42 0.42 4.79 1.43 -1.26 -1.19 118.68 126.11 1s1h s LEU 693 Ca -0.05 -0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 51.97 1s1h s LEU 693 Cb -0.15 -0.97 -0.08 0.00 0.03 0.00 0.00 46.19 45.02 1s1h s LEU 693 CO 0.00 0.04 1.08 -2.28 0.23 0.00 0.00 176.35 175.42 1s1h s HIS 694 N -1.81 3.14 0.37 0.29 5.65 -1.26 -4.94 115.29 116.73 1s1h s HIS 694 Ca 0.17 1.61 0.06 0.00 0.25 0.00 0.00 55.06 57.15 1s1h s HIS 694 Cb -0.07 -3.20 0.76 0.00 -1.18 0.00 0.00 32.58 28.90 1s1h s HIS 694 CO 0.08 -0.89 1.96 0.00 -0.65 0.00 0.00 174.74 175.23 1s1h h ALA 695 N 2.30 1.73 -2.82 1.58 0.00 -1.98 -3.42 119.26 116.65 1s1h h ALA 695 Ca -0.49 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 1s1h h ALA 695 Cb 1.22 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1s1h h ALA 695 CO 0.61 0.16 -0.18 -0.51 0.00 0.00 0.00 179.25 179.33 1s1h s ASP 696 N -6.21 6.44 0.58 0.00 1.01 -1.26 -4.95 116.67 112.28 1s1h s ASP 696 Ca -0.10 0.52 0.29 0.00 0.71 0.00 0.00 52.55 53.97 1s1h s ASP 696 Cb 0.19 -2.24 1.46 0.00 1.01 0.00 0.00 42.92 43.35 1s1h s ASP 696 CO 0.77 -0.10 1.89 0.00 0.21 0.00 0.00 175.17 177.94 1s1h h ALA 697 N 7.46 2.31 -0.16 5.23 0.00 -1.94 0.16 119.26 132.31 1s1h h ALA 697 Ca -0.35 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.59 1s1h h ALA 697 Cb 1.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1s1h h ALA 697 CO 0.71 -0.79 0.16 0.97 0.00 0.00 0.00 179.25 180.30 1s1h h ILE 698 N 0.00 0.56 -0.39 0.00 2.10 -1.95 0.18 117.51 118.01 1s1h h ILE 698 Ca 0.26 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.20 1s1h h ILE 698 Cb 1.29 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 1s1h h ILE 698 CO -0.00 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 178.48 1s1h n HIS 699 N -3.94 0.51 -1.73 2.19 8.25 0.04 -4.48 115.22 116.07 1s1h n HIS 699 Ca 0.01 -0.44 0.06 0.00 -0.26 0.00 0.00 57.72 57.09 1s1h n HIS 699 Cb 0.29 -0.02 0.16 0.00 1.12 0.00 0.00 29.99 31.54 1s1h n HIS 699 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1s1h n ARG 700 N 0.78 1.24 -1.40 -0.41 1.74 0.04 -4.82 116.66 113.82 1s1h n ARG 700 Ca 0.14 -2.95 -0.29 0.00 -0.77 0.00 0.00 57.85 53.97 1s1h n ARG 700 Cb 0.46 -1.29 0.17 0.00 -1.02 0.00 0.00 32.46 30.78 1s1h n ARG 700 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1s1h s GLY 701 N -2.93 1.59 0.25 -0.13 0.00 -1.15 -4.69 107.32 100.26 1s1h s GLY 701 Ca 0.36 -0.64 -0.03 0.00 0.00 0.00 0.00 44.72 44.41 1s1h s GLY 701 CO -0.08 0.02 1.82 -1.33 0.00 0.00 0.00 173.10 173.53 1s1h h GLY 702 N -1.81 1.34 1.57 0.20 0.00 -1.95 0.10 103.07 102.52 1s1h h GLY 702 Ca -0.50 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1s1h h GLY 702 CO 0.54 0.15 0.17 -1.33 0.00 0.00 0.00 176.54 176.06 1s1h h GLY 703 N 0.84 0.00 0.00 4.60 0.00 -2.00 0.14 103.07 106.66 1s1h h GLY 703 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.43 1s1h h GLY 703 CO -0.24 0.00 -2.11 -1.06 0.00 0.00 0.00 176.54 173.12 1s1h n GLN 704 N -2.30 0.46 0.11 4.80 1.13 0.24 -4.56 117.38 117.25 1s1h n GLN 704 Ca -0.01 0.14 -0.18 0.00 -1.94 0.00 0.00 57.00 55.01 1s1h n GLN 704 Cb 0.20 -1.32 -0.13 0.00 0.11 0.00 0.00 30.24 29.10 1s1h n GLN 704 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1s1h h ILE 705 N -0.31 1.43 -0.11 5.09 2.04 -0.78 -3.07 117.51 121.80 1s1h h ILE 705 Ca -0.47 -2.87 0.03 0.00 1.00 0.00 0.00 64.86 62.55 1s1h h ILE 705 Cb 1.58 2.88 -0.03 0.00 -0.74 0.00 0.00 36.82 40.51 1s1h h ILE 705 CO -0.17 0.85 -0.07 0.40 0.00 0.00 0.00 178.15 179.16 1s1h h ILE 706 N 0.12 0.79 -0.75 -0.67 2.04 -0.95 -0.19 117.51 117.90 1s1h h ILE 706 Ca -0.16 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1s1h h ILE 706 Cb 1.96 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1s1h h ILE 706 CO 0.22 0.00 0.45 -0.65 0.00 0.00 0.00 178.15 178.16 1s1h h PRO 707 N -0.07 1.02 -0.05 2.37 0.11 -1.74 -2.10 132.00 131.54 1s1h h PRO 707 Ca 0.07 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1s1h h PRO 707 Cb 0.17 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 1s1h h PRO 707 CO -0.15 0.72 0.03 1.15 -0.21 0.00 0.00 178.00 179.53 1s1h h THR 708 N 1.04 1.06 -0.56 -1.15 2.02 -1.23 -0.85 112.91 113.24 1s1h h THR 708 Ca 0.27 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 1s1h h THR 708 Cb -0.03 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1s1h h THR 708 CO -0.05 0.05 0.11 -0.03 0.37 0.00 0.00 175.52 175.97 1s1h h MET 709 N 0.01 0.91 -0.47 6.66 1.85 -0.88 -0.33 114.93 122.69 1s1h h MET 709 Ca 0.02 -0.24 -0.01 0.00 -0.61 0.00 0.00 59.70 58.86 1s1h h MET 709 Cb 0.05 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 31.95 1s1h h MET 709 CO -0.00 0.87 0.25 -0.09 -0.40 0.00 0.00 176.91 177.53 1s1h h ARG 710 N 0.81 0.67 -0.38 0.39 2.43 -1.29 0.13 114.38 117.14 1s1h h ARG 710 Ca 0.17 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1s1h h ARG 710 Cb 0.39 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1s1h h ARG 710 CO 0.01 0.54 0.08 -0.09 -1.51 0.00 0.00 179.97 178.99 1s1h h ARG 711 N 0.62 0.62 -0.59 0.20 2.43 -0.99 -1.83 114.38 114.84 1s1h h ARG 711 Ca 0.17 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1s1h h ARG 711 Cb 0.08 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1s1h h ARG 711 CO -0.02 0.67 0.03 0.00 -1.51 0.00 0.00 179.97 179.13 1s1h h ALA 712 N 0.93 0.93 -0.29 2.80 0.00 -0.80 -2.00 119.26 120.83 1s1h h ALA 712 Ca 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1s1h h ALA 712 Cb 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1s1h h ALA 712 CO 0.00 0.65 0.14 1.15 0.00 0.00 0.00 179.25 181.19 1s1h h THR 713 N 0.93 1.15 -0.90 0.00 2.02 -0.59 0.14 112.91 115.67 1s1h h THR 713 Ca 0.17 -0.44 0.02 0.00 0.77 0.00 0.00 66.41 66.93 1s1h h THR 713 Cb 0.50 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1s1h h THR 713 CO 0.02 0.16 0.59 1.88 0.37 0.00 0.00 175.52 178.54 1s1h h TYR 714 N 0.33 1.12 -0.11 3.16 0.05 -1.20 0.70 116.97 121.02 1s1h h TYR 714 Ca 0.10 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 1s1h h TYR 714 Cb 0.12 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.48 1s1h h TYR 714 CO -0.02 0.69 0.05 0.00 -1.05 0.00 0.00 178.16 177.83 1s1h h ALA 715 N 1.34 0.14 -0.77 3.88 0.00 -0.83 -0.03 119.26 122.99 1s1h h ALA 715 Ca 0.34 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1s1h h ALA 715 Cb -0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1s1h h ALA 715 CO -0.08 -0.30 0.51 0.78 0.00 0.00 0.00 179.25 180.16 1s1h h GLY 716 N 0.05 1.09 0.93 0.00 0.00 -0.37 -1.02 103.07 103.75 1s1h h GLY 716 Ca 0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1s1h h GLY 716 CO -0.00 0.40 -0.23 -2.75 0.00 0.00 0.00 176.54 173.96 1s1h h PHE 717 N 1.05 -0.60 0.00 5.60 3.57 -0.58 -2.01 116.94 123.96 1s1h h PHE 717 Ca 0.28 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1s1h h PHE 717 Cb -0.12 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1s1h h PHE 717 CO -0.02 -0.36 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.60 1s1h h LEU 718 N -0.60 0.00 -0.03 0.59 4.07 -0.79 -0.28 115.31 118.27 1s1h h LEU 718 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1s1h h LEU 718 Cb 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1s1h h LEU 718 CO 0.06 0.03 -0.16 0.18 -1.08 0.00 0.00 178.44 177.47 1s1h n LEU 719 N -3.95 0.21 -2.26 1.67 4.77 -0.40 -4.09 117.00 112.94 1s1h n LEU 719 Ca -0.03 0.28 -0.29 0.00 -0.03 0.00 0.00 56.01 55.95 1s1h n LEU 719 Cb 0.11 -0.38 0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1s1h n LEU 719 CO 0.29 0.05 1.36 0.00 -1.33 0.00 0.00 177.39 177.76 1s1h n ALA 720 N -1.42 5.90 -3.30 -1.18 0.00 -0.11 -1.38 120.51 119.02 1s1h n ALA 720 Ca 0.08 -3.11 -0.08 0.00 0.00 0.00 0.00 53.44 50.32 1s1h n ALA 720 Cb 0.33 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1s1h n ALA 720 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s1h n ASP 721 N -1.01 -6.83 -4.68 0.00 2.03 -1.26 -2.45 116.55 102.36 1s1h n ASP 721 Ca 0.60 -0.38 -0.42 0.00 0.52 0.00 0.00 54.79 55.11 1s1h n ASP 721 Cb 1.20 -4.16 -0.00 0.00 -0.72 0.00 0.00 41.12 37.43 1s1h n ASP 721 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1s1h n PRO 722 N -2.12 1.91 -3.88 -0.67 -0.02 -1.26 -1.61 135.00 127.36 1s1h n PRO 722 Ca -0.10 0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 61.96 1s1h n PRO 722 Cb 0.56 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.72 1s1h n PRO 722 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1s1h s LYS 723 N -1.90 0.78 0.11 -0.52 3.01 -0.31 -4.43 119.74 116.48 1s1h s LYS 723 Ca 0.57 -0.90 0.09 0.00 -1.01 0.00 0.00 55.97 54.72 1s1h s LYS 723 Cb -0.58 0.32 -0.04 0.00 -1.01 0.00 0.00 37.83 36.52 1s1h s LYS 723 CO 0.61 -0.24 -0.17 0.96 0.51 0.00 0.00 175.35 177.02 1s1h s ILE 724 N -3.55 2.91 -0.08 2.17 -4.36 -1.26 -0.49 121.20 116.54 1s1h s ILE 724 Ca 0.03 -1.46 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1s1h s ILE 724 Cb 0.04 -2.33 -0.03 0.00 1.25 0.00 0.00 42.46 41.39 1s1h s ILE 724 CO -0.09 0.11 -0.06 -1.10 0.24 0.00 0.00 174.94 174.04 1s1h s GLN 725 N -2.11 2.88 0.13 0.37 -0.21 0.62 -1.57 119.66 119.76 1s1h s GLN 725 Ca 0.18 -0.54 0.05 0.00 0.02 0.00 0.00 55.36 55.07 1s1h s GLN 725 Cb -0.11 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.22 1s1h s GLN 725 CO 0.10 0.61 0.09 -1.83 -2.12 0.00 0.00 175.29 172.14 1s1h s GLU 726 N -0.66 2.80 0.22 2.91 -1.05 0.73 -1.70 118.70 121.94 1s1h s GLU 726 Ca 0.10 -0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 53.80 1s1h s GLU 726 Cb -0.11 -2.63 -0.08 0.00 -0.44 0.00 0.00 34.13 30.86 1s1h s GLU 726 CO 0.02 0.52 0.97 -2.14 0.95 0.00 0.00 175.26 175.58 1s1h s PRO 727 N -2.74 4.79 -0.05 -4.83 0.02 -1.26 -0.72 135.00 130.21 1s1h s PRO 727 Ca 0.29 1.53 0.05 0.00 0.02 0.00 0.00 61.00 62.90 1s1h s PRO 727 Cb -0.11 -3.29 -0.01 0.00 0.02 0.00 0.00 34.50 31.12 1s1h s PRO 727 CO 0.22 0.40 -0.20 0.08 -0.33 0.00 0.00 177.00 177.17 1s1h s VAL 728 N -0.89 1.65 0.30 3.83 1.01 0.11 -0.97 120.40 125.43 1s1h s VAL 728 Ca 0.43 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1s1h s VAL 728 Cb -0.26 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 1s1h s VAL 728 CO 0.33 0.47 0.61 -0.36 0.00 0.00 0.00 175.10 176.15 1s1h s PHE 729 N -0.03 3.45 -0.34 5.22 0.08 0.91 -0.35 117.98 126.93 1s1h s PHE 729 Ca -0.04 0.85 -0.11 0.00 0.12 0.00 0.00 56.93 57.75 1s1h s PHE 729 Cb -0.12 -2.26 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 1s1h s PHE 729 CO 0.03 0.14 0.19 -1.17 -0.10 0.00 0.00 175.22 174.31 1s1h s LEU 730 N -3.33 4.40 -0.16 -0.37 2.96 0.80 -1.16 118.68 121.83 1s1h s LEU 730 Ca 0.47 -0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 1s1h s LEU 730 Cb -0.11 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1s1h s LEU 730 CO 0.26 -0.27 0.06 0.54 -1.32 0.00 0.00 176.35 175.63 1s1h s VAL 731 N 1.63 4.80 -0.16 1.68 0.11 0.24 -2.11 120.40 126.58 1s1h s VAL 731 Ca 0.04 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1s1h s VAL 731 Cb -0.18 -3.13 0.02 0.00 -1.53 0.00 0.00 36.38 31.56 1s1h s VAL 731 CO 0.07 0.50 -0.18 -0.70 -3.33 0.00 0.00 175.10 171.47 1s1h s GLU 732 N 0.02 2.73 -0.16 1.54 2.12 0.42 -0.47 118.70 124.90 1s1h s GLU 732 Ca 0.06 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.67 1s1h s GLU 732 Cb -0.12 -2.37 0.02 0.00 0.26 0.00 0.00 34.13 31.91 1s1h s GLU 732 CO 0.01 -0.20 -0.18 0.42 -0.54 0.00 0.00 175.26 174.77 1s1h s ILE 733 N 1.30 1.87 0.01 -3.70 1.01 0.13 -1.19 121.20 120.64 1s1h s ILE 733 Ca 0.04 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.73 1s1h s ILE 733 Cb -0.13 -1.69 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 1s1h s ILE 733 CO -0.11 0.51 0.38 -1.10 0.00 0.00 0.00 174.94 174.62 1s1h s GLN 734 N 1.23 3.83 -0.18 2.79 1.11 -1.03 -0.24 119.66 127.16 1s1h s GLN 734 Ca 0.02 0.29 -0.35 0.00 0.01 0.00 0.00 55.36 55.33 1s1h s GLN 734 Cb -0.14 -3.15 0.15 0.00 -1.01 0.00 0.00 33.01 28.86 1s1h s GLN 734 CO -0.09 0.66 1.40 0.00 0.01 0.00 0.00 175.29 177.27 1s1h s PRO 736 N -2.06 3.21 0.16 0.00 0.02 -1.26 0.28 135.00 135.34 1s1h s PRO 736 Ca 0.13 1.41 -0.23 0.00 0.02 0.00 0.00 61.00 62.34 1s1h s PRO 736 Cb 0.04 -2.00 0.04 0.00 0.02 0.00 0.00 34.50 32.59 1s1h s PRO 736 CO -0.05 -0.93 1.61 1.49 -0.33 0.00 0.00 177.00 178.80 1s1h h GLU 737 N 0.66 -0.26 0.00 5.54 4.81 -1.95 -1.46 114.58 121.92 1s1h h GLU 737 Ca -0.48 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1s1h h GLU 737 Cb 1.24 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1s1h h GLU 737 CO 0.56 -0.17 0.00 0.00 -0.73 0.00 0.00 179.01 178.67 1s1h n GLN 738 N -5.40 0.21 -0.00 1.92 -0.00 -1.26 -1.64 117.38 111.20 1s1h n GLN 738 Ca -0.00 0.05 0.08 0.00 -0.00 0.00 0.00 57.00 57.12 1s1h n GLN 738 Cb 0.32 -1.50 -0.11 0.00 -0.00 0.00 0.00 30.24 28.95 1s1h n GLN 738 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1s1h n ALA 739 N -1.07 3.08 -0.28 2.61 0.00 -0.56 -4.51 120.51 119.79 1s1h n ALA 739 Ca 0.05 -0.39 0.18 0.00 0.00 0.00 0.00 53.44 53.29 1s1h n ALA 739 Cb 0.03 -0.54 0.47 0.00 0.00 0.00 0.00 19.45 19.42 1s1h n ALA 739 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1s1h h VAL 740 N 0.00 0.66 -0.49 0.00 2.07 -1.19 0.51 116.25 117.83 1s1h h VAL 740 Ca 0.00 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1s1h h VAL 740 Cb 0.58 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1s1h h VAL 740 CO 0.00 0.09 0.33 1.23 0.02 0.00 0.00 177.57 179.23 1s1h h GLY 741 N 0.48 0.53 1.01 2.17 0.00 -1.79 -1.47 103.07 104.00 1s1h h GLY 741 Ca 0.51 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 1s1h h GLY 741 CO -0.23 0.13 0.19 -1.33 0.00 0.00 0.00 176.54 175.30 1s1h h GLY 742 N 0.43 1.00 0.38 4.60 0.00 -1.07 -2.47 103.07 105.95 1s1h h GLY 742 Ca 0.21 -0.59 0.03 0.00 0.00 0.00 0.00 47.33 46.98 1s1h h GLY 742 CO -0.05 0.55 -0.28 -2.22 0.00 0.00 0.00 176.54 174.54 1s1h h ILE 743 N 0.85 0.38 -0.89 2.60 2.04 -1.30 -1.84 117.51 119.36 1s1h h ILE 743 Ca 0.19 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.10 1s1h h ILE 743 Cb 0.28 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1s1h h ILE 743 CO -0.01 0.00 0.57 1.88 0.00 0.00 0.00 178.15 180.59 1s1h h TYR 744 N -0.43 1.07 -0.25 1.37 0.05 -1.44 -1.07 116.97 116.27 1s1h h TYR 744 Ca 0.06 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.89 1s1h h TYR 744 Cb 0.51 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1s1h h TYR 744 CO -0.31 0.59 0.11 1.03 -1.05 0.00 0.00 178.16 178.54 1s1h h SER 745 N 1.09 0.14 -0.34 3.88 0.87 -0.95 -0.90 113.55 117.35 1s1h h SER 745 Ca 0.36 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.86 1s1h h SER 745 Cb 0.05 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1s1h h SER 745 CO -0.13 0.12 -0.11 0.58 -0.53 0.00 0.00 176.83 176.76 1s1h h VAL 746 N 0.24 1.28 -0.89 2.23 2.07 -1.02 -3.03 116.25 117.14 1s1h h VAL 746 Ca 0.11 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.50 1s1h h VAL 746 Cb 0.05 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 1s1h h VAL 746 CO -0.09 0.39 0.58 -0.07 0.02 0.00 0.00 177.57 178.39 1s1h h LEU 747 N 0.45 0.91 -1.96 2.57 3.38 -1.00 -0.82 115.31 118.84 1s1h h LEU 747 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1s1h h LEU 747 Cb 0.62 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1s1h h LEU 747 CO 0.04 0.60 -0.01 0.78 0.09 0.00 0.00 178.44 179.94 1s1h h ASN 748 N 1.04 0.00 0.23 -0.43 2.35 -1.05 0.23 115.58 117.95 1s1h h ASN 748 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1s1h h ASN 748 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1s1h h ASN 748 CO -0.13 0.01 -0.33 0.29 -1.65 0.00 0.00 177.43 175.62 1s1h n LYS 749 N -3.12 0.77 -1.61 0.81 5.02 -0.33 -4.24 118.16 115.46 1s1h n LYS 749 Ca -0.01 -0.49 -0.01 0.00 -2.02 0.00 0.00 58.31 55.78 1s1h n LYS 749 Cb 0.23 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.83 1s1h n LYS 749 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s1h n LYS 750 N -0.69 1.48 -2.92 1.97 5.02 -0.62 -4.97 118.16 117.42 1s1h n LYS 750 Ca 0.11 -3.08 -0.20 0.00 -2.02 0.00 0.00 58.31 53.12 1s1h n LYS 750 Cb 0.36 -1.21 0.01 0.00 -0.02 0.00 0.00 35.03 34.16 1s1h n LYS 750 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s1h n ARG 751 N -0.41 -3.37 -1.69 1.97 1.74 -1.11 -4.51 116.66 109.27 1s1h n ARG 751 Ca 0.17 0.70 -0.30 0.00 -0.77 0.00 0.00 57.85 57.64 1s1h n ARG 751 Cb 0.91 -5.42 0.06 0.00 -1.02 0.00 0.00 32.46 26.99 1s1h n ARG 751 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1s1h s GLY 752 N -2.46 1.64 -0.21 -0.13 0.00 0.70 -4.61 107.32 102.24 1s1h s GLY 752 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 44.72 44.73 1s1h s GLY 752 CO 0.28 0.19 0.17 1.62 0.00 0.00 0.00 173.10 175.36 1s1h s GLN 753 N -5.20 0.15 0.31 2.90 0.74 -0.50 -4.75 119.66 113.32 1s1h s GLN 753 Ca 0.59 -0.03 -0.30 0.00 0.05 0.00 0.00 55.36 55.67 1s1h s GLN 753 Cb -0.13 -1.39 -0.12 0.00 1.10 0.00 0.00 33.01 32.48 1s1h s GLN 753 CO 0.54 -0.74 1.54 0.28 -0.55 0.00 0.00 175.29 176.35 1s1h n VAL 754 N 5.29 1.26 -0.09 1.34 0.31 -1.26 -0.65 118.33 124.54 1s1h n VAL 754 Ca -0.06 -0.32 -0.17 0.00 -0.01 0.00 0.00 64.34 63.78 1s1h n VAL 754 Cb 0.48 -1.90 -0.07 0.00 -0.91 0.00 0.00 33.84 31.44 1s1h n VAL 754 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1s1h n VAL 755 N 1.68 1.01 -3.51 2.52 0.31 0.15 -4.86 118.33 115.63 1s1h n VAL 755 Ca 0.07 -0.30 -0.11 0.00 -0.01 0.00 0.00 64.34 63.99 1s1h n VAL 755 Cb 0.37 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.73 1s1h n VAL 755 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1s1h s SER 756 N -6.34 -0.46 -0.28 4.52 1.04 -0.89 -4.99 113.70 106.30 1s1h s SER 756 Ca -0.25 -0.13 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 1s1h s SER 756 Cb 0.09 0.58 0.10 0.00 0.10 0.00 0.00 66.02 66.88 1s1h s SER 756 CO 0.35 -0.97 0.13 -0.70 0.98 0.00 0.00 173.24 173.03 1s1h s GLU 757 N -3.78 0.21 0.37 4.02 2.12 -1.26 -1.35 118.70 119.03 1s1h s GLU 757 Ca 0.03 -0.53 0.08 0.00 0.36 0.00 0.00 54.97 54.91 1s1h s GLU 757 Cb -0.01 -1.24 -0.06 0.00 0.26 0.00 0.00 34.13 33.08 1s1h s GLU 757 CO -0.11 -1.00 0.00 -1.83 -0.54 0.00 0.00 175.26 171.79 1s1h s GLU 758 N 2.08 1.99 0.00 4.30 -1.05 -0.86 -4.97 118.70 120.19 1s1h s GLU 758 Ca 0.09 -1.91 0.00 0.00 -0.15 0.00 0.00 54.97 52.99 1s1h s GLU 758 Cb -0.16 -1.80 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 1s1h s GLU 758 CO -0.35 0.05 0.00 1.04 0.95 0.00 0.00 175.26 176.96 1s1h n GLN 759 N -0.95 3.14 -1.15 -4.83 6.02 -1.26 -1.35 117.38 117.00 1s1h n GLN 759 Ca -0.04 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.73 1s1h n GLN 759 Cb 0.64 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.78 1s1h n GLN 759 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1s1h n THR 763 N 0.00 3.48 0.00 5.09 -1.04 -1.26 -4.81 114.28 115.74 1s1h n THR 763 Ca 0.00 -2.00 0.00 0.00 -2.04 0.00 0.00 64.05 60.01 1s1h n THR 763 Cb 0.00 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.35 1s1h n THR 763 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1s1h n PRO 764 N 2.69 0.00 0.00 -2.82 -0.02 -1.26 -5.10 135.00 128.49 1s1h n PRO 764 Ca 0.55 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1s1h n PRO 764 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.15 1s1h n PRO 764 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1s1h n LEU 765 N 0.00 0.00 -4.61 2.45 4.77 -1.26 -5.02 117.00 113.33 1s1h n LEU 765 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1s1h n LEU 765 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1s1h n LEU 765 CO 0.00 0.00 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.32 1s1h s PHE 766 N 1.72 2.89 -0.21 -1.77 0.08 0.14 -4.58 117.98 116.25 1s1h s PHE 766 Ca 0.00 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1s1h s PHE 766 Cb 0.00 -1.58 0.05 0.00 -0.57 0.00 0.00 43.02 40.92 1s1h s PHE 766 CO 0.00 0.40 -0.06 0.95 -0.10 0.00 0.00 175.22 176.41 1s1h s THR 767 N -1.07 1.41 -0.18 0.64 -4.23 -0.46 -0.37 115.64 111.38 1s1h s THR 767 Ca 0.19 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.59 1s1h s THR 767 Cb -0.11 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 1s1h s THR 767 CO 0.10 -0.02 0.04 -0.69 -0.54 0.00 0.00 174.62 173.50 1s1h s VAL 768 N 1.46 4.50 -0.02 2.29 1.01 0.67 -2.03 120.40 128.28 1s1h s VAL 768 Ca -0.04 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1s1h s VAL 768 Cb -0.18 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1s1h s VAL 768 CO -0.07 0.45 -0.14 -0.54 0.00 0.00 0.00 175.10 174.80 1s1h s LYS 769 N 0.53 2.40 0.22 2.72 1.02 -0.46 0.21 119.74 126.38 1s1h s LYS 769 Ca 0.02 -0.77 -0.22 0.00 0.02 0.00 0.00 55.97 55.01 1s1h s LYS 769 Cb -0.13 -2.35 0.04 0.00 -0.52 0.00 0.00 37.83 34.87 1s1h s LYS 769 CO 0.01 0.60 0.66 0.00 -0.92 0.00 0.00 175.35 175.71 1s1h s ALA 770 N -0.82 -1.40 -0.13 5.17 0.00 0.38 0.33 121.76 125.29 1s1h s ALA 770 Ca 0.13 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 1s1h s ALA 770 Cb -0.11 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 1s1h s ALA 770 CO 0.03 -0.91 0.21 0.71 0.00 0.00 0.00 175.76 175.80 1s1h s TYR 771 N -3.84 3.55 -0.06 0.00 2.02 0.18 0.83 117.35 120.03 1s1h s TYR 771 Ca 0.06 0.58 -0.02 0.00 -0.37 0.00 0.00 57.07 57.32 1s1h s TYR 771 Cb -0.04 -2.13 0.03 0.00 -0.40 0.00 0.00 41.96 39.42 1s1h s TYR 771 CO -0.02 0.52 0.02 -1.17 -1.57 0.00 0.00 175.55 173.32 1s1h s LEU 772 N -0.41 0.45 0.35 -1.29 2.96 -0.31 -1.41 118.68 119.02 1s1h s LEU 772 Ca 0.15 -0.03 -0.28 0.00 -0.22 0.00 0.00 54.13 53.75 1s1h s LEU 772 Cb -0.13 -0.34 -0.12 0.00 0.50 0.00 0.00 46.19 46.10 1s1h s LEU 772 CO 0.04 -0.21 1.30 -2.65 -1.32 0.00 0.00 176.35 173.51 1s1h n PRO 773 N 5.18 2.15 -0.25 0.98 -0.02 -1.26 -0.06 135.00 141.72 1s1h n PRO 773 Ca -0.06 0.75 -0.02 0.00 -2.02 0.00 0.00 63.50 62.15 1s1h n PRO 773 Cb 0.50 -2.36 0.16 0.00 -0.02 0.00 0.00 33.50 31.79 1s1h n PRO 773 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1s1h h VAL 774 N 2.53 1.23 0.00 -1.45 2.07 -1.40 -1.63 116.25 117.60 1s1h h VAL 774 Ca -0.47 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1s1h h VAL 774 Cb 1.28 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1s1h h VAL 774 CO 0.62 0.26 0.00 -0.46 0.02 0.00 0.00 177.57 178.02 1s1h n ASN 775 N -4.34 0.00 -0.15 0.57 0.23 -1.26 -1.89 115.26 108.42 1s1h n ASN 775 Ca 0.08 -1.01 0.02 0.00 -0.53 0.00 0.00 54.58 53.13 1s1h n ASN 775 Cb 0.11 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.84 1s1h n ASN 775 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1s1h n GLU 776 N -0.76 0.89 0.00 -3.83 -0.58 -0.63 -4.69 120.64 111.04 1s1h n GLU 776 Ca 0.09 -1.09 0.12 0.00 -0.42 0.00 0.00 57.16 55.86 1s1h n GLU 776 Cb 0.04 -1.07 0.13 0.00 -0.57 0.00 0.00 31.44 29.97 1s1h n GLU 776 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1s1h n SER 777 N 0.02 1.93 -4.63 1.62 3.41 -0.79 -4.68 113.62 110.49 1s1h n SER 777 Ca 0.02 -1.45 -0.43 0.00 -0.26 0.00 0.00 58.87 56.75 1s1h n SER 777 Cb 0.17 0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 1s1h n SER 777 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1s1h s PHE 778 N -2.38 2.74 0.00 7.33 0.08 -1.26 -2.07 117.98 122.41 1s1h s PHE 778 Ca 0.22 0.90 0.00 0.00 0.12 0.00 0.00 56.93 58.17 1s1h s PHE 778 Cb 0.19 -3.89 0.00 0.00 -0.57 0.00 0.00 43.02 38.75 1s1h s PHE 778 CO 0.51 -1.61 0.00 0.41 -0.10 0.00 0.00 175.22 174.43 1s1h n GLY 779 N 4.27 0.77 0.27 4.36 0.00 -1.26 -4.94 105.19 108.66 1s1h n GLY 779 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 1s1h n GLY 779 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1s1h h PHE 780 N 0.00 -0.19 -0.96 1.61 3.57 -1.69 0.15 116.94 119.43 1s1h h PHE 780 Ca 0.00 0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.71 1s1h h PHE 780 Cb 0.00 0.20 -0.10 0.00 2.79 0.00 0.00 35.95 38.84 1s1h h PHE 780 CO 0.00 -0.27 0.57 0.00 -2.23 0.00 0.00 178.31 176.38 1s1h h THR 781 N 0.06 0.79 0.06 4.41 1.03 -1.92 0.73 112.91 118.07 1s1h h THR 781 Ca 0.39 -0.28 -0.00 0.00 -0.01 0.00 0.00 66.41 66.50 1s1h h THR 781 Cb 0.65 -0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.64 1s1h h THR 781 CO -0.70 0.15 -0.03 1.23 -0.01 0.00 0.00 175.52 176.16 1s1h h GLY 782 N 0.81 -0.09 2.00 2.99 0.00 -1.13 -2.63 103.07 105.02 1s1h h GLY 782 Ca 0.52 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.84 1s1h h GLY 782 CO -0.34 -0.03 -0.22 0.83 0.00 0.00 0.00 176.54 176.78 1s1h h GLU 783 N -0.42 0.00 -0.14 4.80 5.08 -1.00 -2.44 114.58 120.46 1s1h h GLU 783 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1s1h h GLU 783 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1s1h h GLU 783 CO 0.01 0.22 -0.01 1.25 -1.00 0.00 0.00 179.01 179.49 1s1h h LEU 784 N 0.00 0.26 -1.47 1.33 5.85 -0.77 -1.45 115.31 119.06 1s1h h LEU 784 Ca -0.00 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 1s1h h LEU 784 Cb 0.41 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1s1h h LEU 784 CO 0.03 0.52 -0.25 0.08 -0.34 0.00 0.00 178.44 178.48 1s1h h ARG 785 N -0.02 0.00 -0.37 1.25 0.11 -1.31 -1.34 114.38 112.71 1s1h h ARG 785 Ca 0.04 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.02 1s1h h ARG 785 Cb 0.40 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 1s1h h ARG 785 CO 0.01 0.25 -0.14 0.37 0.10 0.00 0.00 179.97 180.56 1s1h h GLN 786 N 0.00 0.75 0.00 0.08 5.75 -1.17 1.79 115.11 122.31 1s1h h GLN 786 Ca -0.00 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 1s1h h GLN 786 Cb 0.56 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.08 1s1h h GLN 786 CO 0.03 0.92 -0.19 0.00 -2.65 0.00 0.00 178.83 176.94 1s1h h ALA 787 N 0.81 0.87 -0.16 3.38 0.00 -0.92 -3.27 119.26 119.97 1s1h h ALA 787 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1s1h h ALA 787 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1s1h h ALA 787 CO 0.05 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.55 1s1h n THR 788 N -2.30 1.55 -3.26 0.00 -2.24 -0.54 -4.26 114.28 103.24 1s1h n THR 788 Ca 0.05 -1.54 -0.24 0.00 -2.27 0.00 0.00 64.05 60.06 1s1h n THR 788 Cb 0.44 0.12 0.04 0.00 -2.10 0.00 0.00 70.33 68.83 1s1h n THR 788 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s1h n GLY 789 N -0.47 -0.52 2.36 3.38 0.00 -0.25 -1.45 105.19 108.25 1s1h n GLY 789 Ca 0.12 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 1s1h n GLY 789 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1h n GLY 790 N -1.56 0.29 0.00 -0.02 0.00 0.59 -4.90 105.19 99.59 1s1h n GLY 790 Ca -0.06 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.84 1s1h n GLY 790 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s1h n GLN 791 N -2.57 0.70 -3.99 1.61 6.02 -0.53 -4.97 117.38 113.65 1s1h n GLN 791 Ca -0.19 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.43 1s1h n GLN 791 Cb 0.62 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 30.41 1s1h n GLN 791 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s1h s ALA 792 N -2.86 3.77 -0.29 -1.58 0.00 -1.26 -4.48 121.76 115.06 1s1h s ALA 792 Ca 0.06 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1s1h s ALA 792 Cb 0.14 -1.83 0.06 0.00 0.00 0.00 0.00 23.12 21.49 1s1h s ALA 792 CO 0.79 0.65 -0.04 -0.06 0.00 0.00 0.00 175.76 177.09 1s1h s PHE 793 N -1.08 3.33 0.26 0.00 0.08 -0.82 -4.77 117.98 114.97 1s1h s PHE 793 Ca 0.18 -2.22 -0.19 0.00 0.12 0.00 0.00 56.93 54.82 1s1h s PHE 793 Cb -0.12 -2.15 -0.09 0.00 -0.57 0.00 0.00 43.02 40.10 1s1h s PHE 793 CO 0.07 -0.86 0.75 -1.25 -0.10 0.00 0.00 175.22 173.84 1s1h s PRO 794 N 1.14 4.23 -0.01 0.24 0.04 -1.26 -2.47 135.00 136.91 1s1h s PRO 794 Ca -0.05 0.87 0.01 0.00 0.04 0.00 0.00 61.00 61.87 1s1h s PRO 794 Cb -0.20 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1s1h s PRO 794 CO -0.04 0.32 -0.03 -1.14 0.04 0.00 0.00 177.00 176.16 1s1h s GLN 795 N -2.22 0.30 -0.01 4.56 0.74 -0.33 -4.79 119.66 117.91 1s1h s GLN 795 Ca 0.46 -0.08 -0.00 0.00 0.05 0.00 0.00 55.36 55.79 1s1h s GLN 795 Cb -0.15 -0.33 0.01 0.00 1.10 0.00 0.00 33.01 33.64 1s1h s GLN 795 CO 0.20 0.02 0.02 -1.64 -0.55 0.00 0.00 175.29 173.35 1s1h s MET 796 N 0.18 0.00 0.00 1.67 -1.94 -1.26 -0.44 119.30 117.52 1s1h s MET 796 Ca -0.02 0.07 -0.00 0.00 -1.71 0.00 0.00 55.69 54.03 1s1h s MET 796 Cb -0.04 -0.06 -0.00 0.00 2.01 0.00 0.00 34.83 36.74 1s1h s MET 796 CO -0.00 -0.04 -0.00 0.54 -0.01 0.00 0.00 175.02 175.50 1s1h s VAL 797 N 0.28 0.01 0.28 -6.03 0.11 -0.90 -4.95 120.40 109.20 1s1h s VAL 797 Ca -0.02 -0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 58.60 1s1h s VAL 797 Cb -0.03 -0.05 -0.12 0.00 -1.53 0.00 0.00 36.38 34.65 1s1h s VAL 797 CO -0.01 -0.07 1.54 0.33 -3.33 0.00 0.00 175.10 173.56 1s1h n PHE 798 N 2.88 2.63 0.00 1.54 7.35 -1.26 -0.14 117.46 130.47 1s1h n PHE 798 Ca -0.14 0.31 -0.01 0.00 -0.76 0.00 0.00 57.45 56.85 1s1h n PHE 798 Cb 0.59 -2.56 -0.00 0.00 0.35 0.00 0.00 39.48 37.86 1s1h n PHE 798 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1s1h n ASP 799 N 2.19 0.33 -3.54 -2.13 -0.08 0.53 -4.75 116.55 109.11 1s1h n ASP 799 Ca 0.10 0.05 -0.07 0.00 -1.51 0.00 0.00 54.79 53.36 1s1h n ASP 799 Cb 0.35 -0.11 -0.00 0.00 2.34 0.00 0.00 41.12 43.70 1s1h n ASP 799 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1s1h s HIS 800 N -2.03 -0.07 -0.06 -0.67 -3.43 -1.05 -5.01 115.29 102.97 1s1h s HIS 800 Ca -0.02 -0.42 -0.06 0.00 -0.80 0.00 0.00 55.06 53.76 1s1h s HIS 800 Cb 0.01 0.74 -0.04 0.00 -1.43 0.00 0.00 32.58 31.85 1s1h s HIS 800 CO 0.02 -1.25 0.19 -1.58 -2.00 0.00 0.00 174.74 170.13 1s1h s TRP 801 N -3.22 3.59 -0.05 0.38 0.52 -1.26 0.05 118.94 118.95 1s1h s TRP 801 Ca 0.13 0.53 0.02 0.00 0.02 0.00 0.00 56.10 56.80 1s1h s TRP 801 Cb -0.05 -1.95 0.02 0.00 -1.15 0.00 0.00 33.47 30.34 1s1h s TRP 801 CO 0.07 0.68 -0.08 0.45 0.02 0.00 0.00 176.95 178.10 1s1h s SER 802 N -1.40 1.33 -0.11 2.95 0.15 0.10 -4.92 113.70 111.79 1s1h s SER 802 Ca 0.21 -0.21 -0.30 0.00 0.70 0.00 0.00 55.95 56.36 1s1h s SER 802 Cb -0.13 -0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 63.54 1s1h s SER 802 CO 0.11 -0.01 1.15 -0.89 1.20 0.00 0.00 173.24 174.80 1s1h s THR 803 N 0.80 4.42 0.11 6.45 2.01 -1.26 -0.20 115.64 127.97 1s1h s THR 803 Ca -0.13 1.73 -0.29 0.00 0.31 0.00 0.00 61.69 63.31 1s1h s THR 803 Cb -0.15 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 1s1h s THR 803 CO 0.02 -0.06 0.91 -0.76 -0.69 0.00 0.00 174.62 174.04 1s1h s LEU 804 N 2.61 4.51 0.27 4.42 1.43 -0.61 -4.96 118.68 126.34 1s1h s LEU 804 Ca 0.52 1.73 0.14 0.00 -1.03 0.00 0.00 54.13 55.49 1s1h s LEU 804 Cb -0.21 -3.51 0.18 0.00 0.03 0.00 0.00 46.19 42.68 1s1h s LEU 804 CO 0.17 -0.02 1.49 1.23 0.23 0.00 0.00 176.35 179.45 1s1h h GLY 805 N 5.43 0.00 -1.54 -3.19 0.00 -1.95 -3.40 103.07 98.42 1s1h h GLY 805 Ca -0.43 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.37 1s1h h GLY 805 CO 0.71 0.00 0.32 -1.35 0.00 0.00 0.00 176.54 176.23 1s1h s SER 806 N -6.53 3.78 -0.16 0.19 1.04 -1.26 -4.93 113.70 105.82 1s1h s SER 806 Ca 0.02 2.24 -0.29 0.00 0.48 0.00 0.00 55.95 58.40 1s1h s SER 806 Cb 0.09 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.61 1s1h s SER 806 CO 0.75 -2.54 1.45 -0.62 0.98 0.00 0.00 173.24 173.26 1s1h s ASP 807 N -2.41 6.71 0.48 7.02 -1.08 -1.26 -4.71 116.67 121.42 1s1h s ASP 807 Ca 0.70 1.77 0.16 0.00 -0.52 0.00 0.00 52.55 54.66 1s1h s ASP 807 Cb -0.26 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 39.80 1s1h s ASP 807 CO 0.51 -0.95 2.05 -0.65 0.52 0.00 0.00 175.17 176.65 1s1h h PRO 808 N 9.25 0.00 -0.00 4.34 0.11 -1.88 -2.25 132.00 141.58 1s1h h PRO 808 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1s1h h PRO 808 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1s1h h PRO 808 CO 0.98 0.12 -0.15 1.28 -0.21 0.00 0.00 178.00 180.02 1s1h n LEU 809 N -4.33 0.26 -4.40 2.35 4.32 -1.26 -4.09 117.00 109.85 1s1h n LEU 809 Ca -0.03 0.21 -0.44 0.00 -0.02 0.00 0.00 56.01 55.73 1s1h n LEU 809 Cb 0.19 -0.33 -0.06 0.00 -1.62 0.00 0.00 43.42 41.61 1s1h n LEU 809 CO 0.35 0.06 0.29 -0.62 -1.22 0.00 0.00 177.39 176.24 1s1h s ASP 810 N -2.81 6.19 0.65 -1.43 -1.08 -0.85 -4.87 116.67 112.48 1s1h s ASP 810 Ca 0.19 -1.22 0.24 0.00 -0.52 0.00 0.00 52.55 51.24 1s1h s ASP 810 Cb 0.19 -2.27 1.25 0.00 -1.46 0.00 0.00 42.92 40.63 1s1h s ASP 810 CO 0.55 -0.91 1.70 -0.65 0.52 0.00 0.00 175.17 176.38 1s1h h PRO 811 N 9.00 0.00 0.00 4.34 0.11 -1.83 -1.07 132.00 142.55 1s1h h PRO 811 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1s1h h PRO 811 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1s1h h PRO 811 CO 1.00 0.00 -0.91 0.25 -0.21 0.00 0.00 178.00 178.13 1s1h n THR 812 N -2.99 0.03 -1.92 -1.15 -2.24 -1.26 -3.29 114.28 101.46 1s1h n THR 812 Ca 0.02 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 1s1h n THR 812 Cb 0.62 0.59 0.12 0.00 -2.10 0.00 0.00 70.33 69.56 1s1h n THR 812 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1s1h s SER 813 N -3.25 4.09 0.09 3.42 1.04 -0.41 -4.79 113.70 113.89 1s1h s SER 813 Ca 0.07 0.62 -0.23 0.00 0.48 0.00 0.00 55.95 56.89 1s1h s SER 813 Cb 0.16 -0.98 -0.13 0.00 0.10 0.00 0.00 66.02 65.17 1s1h s SER 813 CO 0.81 -2.15 1.72 0.11 0.98 0.00 0.00 173.24 174.71 1s1h h LYS 814 N -1.23 -0.07 -0.38 4.02 1.57 -1.89 0.68 116.57 119.27 1s1h h LYS 814 Ca -0.45 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.20 1s1h h LYS 814 Cb 1.30 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 1s1h h LYS 814 CO 0.57 -0.05 -0.28 0.00 -0.57 0.00 0.00 179.45 179.13 1s1h h ALA 815 N 0.90 0.79 -0.20 3.86 0.00 -1.84 -2.95 119.26 119.82 1s1h h ALA 815 Ca 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1s1h h ALA 815 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1s1h h ALA 815 CO -0.02 0.65 -0.10 0.78 0.00 0.00 0.00 179.25 180.56 1s1h h GLY 816 N 0.93 0.34 0.95 0.00 0.00 -1.49 -0.70 103.07 103.10 1s1h h GLY 816 Ca 0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 1s1h h GLY 816 CO 0.07 0.19 0.05 0.83 0.00 0.00 0.00 176.54 177.69 1s1h h GLU 817 N 0.30 0.72 -0.19 4.80 5.08 -0.70 0.14 114.58 124.73 1s1h h GLU 817 Ca 0.06 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1s1h h GLU 817 Cb 0.36 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1s1h h GLU 817 CO 0.02 0.76 0.08 0.82 -1.00 0.00 0.00 179.01 179.69 1s1h h ILE 818 N 0.57 1.16 -0.64 3.13 2.04 -1.30 -1.82 117.51 120.66 1s1h h ILE 818 Ca 0.13 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1s1h h ILE 818 Cb 0.40 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1s1h h ILE 818 CO 0.01 0.16 0.35 0.58 0.00 0.00 0.00 178.15 179.26 1s1h h VAL 819 N 0.16 1.20 -0.35 1.67 2.07 -0.93 -2.05 116.25 118.01 1s1h h VAL 819 Ca 0.06 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1s1h h VAL 819 Cb 0.18 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1s1h h VAL 819 CO -0.00 0.22 0.16 0.25 0.02 0.00 0.00 177.57 178.21 1s1h h LEU 820 N 0.87 0.47 -0.66 2.57 5.85 -0.59 -1.39 115.31 122.43 1s1h h LEU 820 Ca 0.23 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1s1h h LEU 820 Cb 0.03 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1s1h h LEU 820 CO -0.04 0.48 0.37 0.00 -0.34 0.00 0.00 178.44 178.92 1s1h h ALA 821 N 1.01 0.84 -0.58 1.25 0.00 -1.19 -1.63 119.26 118.95 1s1h h ALA 821 Ca 0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1s1h h ALA 821 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1s1h h ALA 821 CO -0.01 0.34 -0.02 0.00 0.00 0.00 0.00 179.25 179.55 1s1h h ALA 822 N 1.19 0.79 -0.18 0.00 0.00 -1.23 -0.90 119.26 118.92 1s1h h ALA 822 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s1h h ALA 822 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1s1h h ALA 822 CO -0.04 0.64 0.11 0.00 0.00 0.00 0.00 179.25 179.97 1s1h h ARG 823 N 0.94 0.24 -0.74 0.00 3.08 -0.94 -1.22 114.38 115.74 1s1h h ARG 823 Ca 0.16 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1s1h h ARG 823 Cb 0.58 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1s1h h ARG 823 CO 0.03 0.18 0.27 0.87 -1.07 0.00 0.00 179.97 180.26 1s1h h LYS 824 N 0.23 1.13 -0.01 0.04 1.57 -1.20 -0.35 116.57 117.98 1s1h h LYS 824 Ca 0.07 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1s1h h LYS 824 Cb -0.00 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1s1h h LYS 824 CO -0.01 0.94 0.01 -0.09 -0.57 0.00 0.00 179.45 179.72 1s1h h ARG 825 N 1.08 0.00 -0.69 3.15 2.43 -0.75 -1.19 114.38 118.41 1s1h h ARG 825 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1s1h h ARG 825 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1s1h h ARG 825 CO -0.02 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.16 1s1h n HIS 826 N -4.46 0.95 -2.56 2.20 8.25 -0.50 -4.95 115.22 114.16 1s1h n HIS 826 Ca -0.03 -0.47 -0.17 0.00 -0.26 0.00 0.00 57.72 56.79 1s1h n HIS 826 Cb 0.10 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.20 1s1h n HIS 826 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s1h n GLY 827 N 1.57 -0.32 3.97 -1.41 0.00 -0.45 -5.01 105.19 103.54 1s1h n GLY 827 Ca 0.23 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1s1h n GLY 827 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s1h s MET 828 N -5.12 3.29 0.21 1.61 -1.94 -0.21 -5.02 119.30 112.12 1s1h s MET 828 Ca 0.10 -0.73 -0.31 0.00 -1.71 0.00 0.00 55.69 53.05 1s1h s MET 828 Cb -0.05 -2.78 -0.10 0.00 2.01 0.00 0.00 34.83 33.92 1s1h s MET 828 CO 0.13 0.16 1.45 0.21 -0.01 0.00 0.00 175.02 176.96 1s1h s LYS 829 N -4.19 4.27 0.19 2.03 2.47 -1.26 -4.46 119.74 118.79 1s1h s LYS 829 Ca 0.41 2.26 -0.13 0.00 -1.56 0.00 0.00 55.97 56.95 1s1h s LYS 829 Cb -0.09 -3.15 0.20 0.00 -1.46 0.00 0.00 37.83 33.33 1s1h s LYS 829 CO 0.32 -0.45 1.69 0.93 0.16 0.00 0.00 175.35 178.00 1s1h h GLU 830 N 5.69 0.13 -6.87 4.03 5.08 -1.94 -3.42 114.58 117.29 1s1h h GLU 830 Ca -0.45 -0.01 -0.52 0.00 -1.00 0.00 0.00 59.36 57.39 1s1h h GLU 830 Cb 1.21 -0.03 0.05 0.00 0.50 0.00 0.00 28.75 30.49 1s1h h GLU 830 CO 0.82 0.09 0.59 -1.21 -1.00 0.00 0.00 179.01 178.30 1s1h s GLU 831 N -6.16 4.40 -0.22 2.33 2.02 -1.26 -4.86 118.70 114.95 1s1h s GLU 831 Ca -0.13 2.10 -0.22 0.00 0.02 0.00 0.00 54.97 56.73 1s1h s GLU 831 Cb 0.16 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1s1h s GLU 831 CO 0.72 -0.10 0.71 0.08 0.02 0.00 0.00 175.26 176.70 1s1h s VAL 832 N -1.16 4.94 0.06 2.63 1.01 -1.26 -5.00 120.40 121.62 1s1h s VAL 832 Ca 0.48 1.34 -0.34 0.00 0.00 0.00 0.00 61.98 63.46 1s1h s VAL 832 Cb -0.37 -4.02 -0.13 0.00 0.00 0.00 0.00 36.38 31.86 1s1h s VAL 832 CO 0.49 0.02 1.72 -2.65 0.00 0.00 0.00 175.10 174.69 1s1h n PRO 833 N 5.55 2.23 -1.35 2.72 -0.02 -1.26 -4.94 135.00 137.93 1s1h n PRO 833 Ca 0.02 0.81 -0.29 0.00 -2.02 0.00 0.00 63.50 62.02 1s1h n PRO 833 Cb 0.49 -2.62 0.16 0.00 -0.02 0.00 0.00 33.50 31.50 1s1h n PRO 833 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1s1h s GLY 834 N 2.31 1.57 0.40 -1.23 0.00 -1.26 -4.91 107.32 104.20 1s1h s GLY 834 Ca 0.84 -0.47 0.08 0.00 0.00 0.00 0.00 44.72 45.18 1s1h s GLY 834 CO 0.43 0.13 2.00 0.11 0.00 0.00 0.00 173.10 175.77 1s1h h TRP 835 N -1.73 0.58 -0.43 1.90 5.08 -1.90 -1.34 115.95 118.11 1s1h h TRP 835 Ca -0.53 0.01 0.11 0.00 1.08 0.00 0.00 58.89 59.57 1s1h h TRP 835 Cb 1.33 -0.19 -0.02 0.00 -3.00 0.00 0.00 29.16 27.28 1s1h h TRP 835 CO 0.24 0.32 0.30 1.96 -1.28 0.00 0.00 178.44 179.99 1s1h h GLN 836 N 0.59 0.07 0.00 0.12 7.50 -1.93 -0.06 115.11 121.40 1s1h h GLN 836 Ca 0.24 -0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.39 1s1h h GLN 836 Cb 0.22 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.74 1s1h h GLN 836 CO -0.07 0.05 -0.02 0.93 -1.50 0.00 0.00 178.83 178.21 1s1h h GLU 837 N 0.07 0.00 -0.04 1.46 4.39 -1.59 -2.32 114.58 116.55 1s1h h GLU 837 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1s1h h GLU 837 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1s1h h GLU 837 CO -0.02 0.02 0.00 0.66 -1.16 0.00 0.00 179.01 178.52 1s1h n TYR 838 N -3.80 0.03 -3.29 4.33 4.02 -0.07 -4.98 117.16 113.40 1s1h n TYR 838 Ca -0.03 -0.03 -0.38 0.00 -0.01 0.00 0.00 57.90 57.45 1s1h n TYR 838 Cb 0.11 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.37 1s1h n TYR 838 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1s1h s TYR 839 N -1.10 3.53 -0.50 -0.72 5.04 -0.88 -4.62 117.35 118.10 1s1h s TYR 839 Ca 0.16 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 1s1h s TYR 839 Cb 0.11 -2.57 0.13 0.00 0.35 0.00 0.00 41.96 39.99 1s1h s TYR 839 CO 0.17 0.18 0.27 -0.51 -1.34 0.00 0.00 175.55 174.33 1s1h s ASP 840 N 0.55 4.87 0.68 4.32 1.01 0.69 -4.98 116.67 123.80 1s1h s ASP 840 Ca 0.27 -2.64 -0.17 0.00 0.71 0.00 0.00 52.55 50.72 1s1h s ASP 840 Cb -0.15 -1.74 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 1s1h s ASP 840 CO 0.11 -0.36 0.95 1.17 0.21 0.00 0.00 175.17 177.25 1s1h n LYS 841 N 3.70 0.65 0.00 8.23 4.81 -1.26 -4.51 118.16 129.78 1s1h n LYS 841 Ca 0.04 0.27 0.11 0.00 -0.87 0.00 0.00 58.31 57.87 1s1h n LYS 841 Cb 0.37 -2.19 0.66 0.00 0.02 0.00 0.00 35.03 33.90 1s1h n LYS 841 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85