#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnl s ASN 2 N 0.00 3.63 -0.22 6.43 6.03 -0.49 -3.53 114.94 126.78 1pnl s ASN 2 Ca 0.00 -1.18 -0.23 0.00 -1.03 0.00 0.00 52.86 50.41 1pnl s ASN 2 Cb 0.00 -0.33 0.06 0.00 -3.03 0.00 0.00 41.25 37.96 1pnl s ASN 2 CO 0.00 -0.19 0.65 -0.32 -2.03 0.00 0.00 177.10 175.21 1pnl s MET 3 N -3.61 0.79 -0.04 3.55 1.75 -0.77 -0.64 119.30 120.33 1pnl s MET 3 Ca 0.32 0.83 -0.01 0.00 -1.25 0.00 0.00 55.69 55.58 1pnl s MET 3 Cb 0.02 0.38 0.03 0.00 2.84 0.00 0.00 34.83 38.10 1pnl s MET 3 CO 0.16 -0.12 0.03 1.67 -0.65 0.00 0.00 175.02 176.11 1pnl s TRP 4 N 0.17 0.23 -0.17 4.11 -2.14 -0.79 -1.54 118.94 118.81 1pnl s TRP 4 Ca -0.01 0.08 0.01 0.00 2.66 0.00 0.00 56.10 58.84 1pnl s TRP 4 Cb -0.04 -0.45 0.01 0.00 -3.10 0.00 0.00 33.47 29.89 1pnl s TRP 4 CO 0.02 -0.17 -0.20 0.08 -2.66 0.00 0.00 176.95 174.02 1pnl s VAL 5 N 1.54 2.14 -0.21 -0.66 1.01 0.11 -1.05 120.40 123.27 1pnl s VAL 5 Ca -0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1pnl s VAL 5 Cb -0.13 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1pnl s VAL 5 CO -0.03 0.54 -0.11 -0.63 0.00 0.00 0.00 175.10 174.87 1pnl s ILE 6 N 1.10 2.73 0.89 2.22 1.01 -0.18 0.04 121.20 129.01 1pnl s ILE 6 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 1pnl s ILE 6 Cb -0.14 -2.25 0.17 0.00 0.01 0.00 0.00 42.46 40.25 1pnl s ILE 6 CO -0.08 0.41 1.22 -0.83 0.00 0.00 0.00 174.94 175.66 1pnl s GLY 7 N 1.37 1.77 0.26 6.18 0.00 0.35 -1.13 107.32 116.11 1pnl s GLY 7 Ca 0.04 -1.33 -0.11 0.00 0.00 0.00 0.00 44.72 43.31 1pnl s GLY 7 CO -0.07 -0.63 1.56 0.50 0.00 0.00 0.00 173.10 174.46 1pnl h LYS 8 N -1.30 -0.00 0.00 2.90 1.57 -1.06 -1.03 116.57 117.65 1pnl h LYS 8 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1pnl h LYS 8 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1pnl h LYS 8 CO 0.40 -0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.94 1pnl h SER 9 N -0.00 0.00 0.00 0.86 4.64 -1.88 -3.24 113.55 113.93 1pnl h SER 9 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1pnl h SER 9 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1pnl h SER 9 CO -0.99 0.00 -1.12 0.29 -0.87 0.00 0.00 176.83 174.13 1pnl n LYS 10 N -2.82 1.56 -3.04 4.77 4.76 -0.96 -4.88 118.16 117.56 1pnl n LYS 10 Ca 0.01 -0.06 -0.37 0.00 -2.87 0.00 0.00 58.31 55.02 1pnl n LYS 10 Cb 0.30 -1.19 -0.06 0.00 -1.84 0.00 0.00 35.03 32.25 1pnl n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pnl s ALA 11 N -2.53 3.42 -0.19 7.82 0.00 -0.43 -0.39 121.76 129.46 1pnl s ALA 11 Ca -0.01 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1pnl s ALA 11 Cb 0.08 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.34 1pnl s ALA 11 CO 0.50 0.31 -0.19 -1.14 0.00 0.00 0.00 175.76 175.23 1pnl s GLN 12 N -1.66 2.88 -0.66 0.00 2.00 0.11 -4.68 119.66 117.65 1pnl s GLN 12 Ca 0.40 -0.88 0.00 0.00 -2.00 0.00 0.00 55.36 52.88 1pnl s GLN 12 Cb -0.19 -2.59 0.00 0.00 0.80 0.00 0.00 33.01 31.02 1pnl s GLN 12 CO 0.23 -0.25 0.00 -0.25 -0.50 0.00 0.00 175.29 174.52 1pnl n ASP 13 N 4.60 -3.04 -3.71 6.67 8.00 -1.26 -4.24 116.55 123.58 1pnl n ASP 13 Ca -0.20 0.04 -0.03 0.00 0.71 0.00 0.00 54.79 55.32 1pnl n ASP 13 Cb 0.49 -2.04 -0.01 0.00 -0.02 0.00 0.00 41.12 39.54 1pnl n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pnl s ALA 14 N -2.34 -1.78 -0.09 2.24 0.00 -1.26 -2.13 121.76 116.40 1pnl s ALA 14 Ca 0.00 0.31 0.17 0.00 0.00 0.00 0.00 51.96 52.44 1pnl s ALA 14 Cb 0.00 0.56 -0.25 0.00 0.00 0.00 0.00 23.12 23.43 1pnl s ALA 14 CO 0.00 -1.01 0.25 1.63 0.00 0.00 0.00 175.76 176.62 1pnl n LYS 15 N -0.45 0.86 -3.63 0.00 5.02 -0.05 -4.74 118.16 115.16 1pnl n LYS 15 Ca -0.07 -0.09 -0.15 0.00 -2.02 0.00 0.00 58.31 55.98 1pnl n LYS 15 Cb 0.61 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 34.11 1pnl n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pnl s ALA 16 N -2.88 -1.54 -0.04 7.82 0.00 -1.19 -1.37 121.76 122.57 1pnl s ALA 16 Ca -0.08 1.49 -0.00 0.00 0.00 0.00 0.00 51.96 53.37 1pnl s ALA 16 Cb 0.09 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1pnl s ALA 16 CO 0.74 -0.31 0.00 0.42 0.00 0.00 0.00 175.76 176.60 1pnl s ILE 17 N -0.30 0.20 -0.13 0.00 1.01 -0.28 -1.59 121.20 120.12 1pnl s ILE 17 Ca -0.05 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1pnl s ILE 17 Cb -0.03 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.14 1pnl s ILE 17 CO 0.04 0.17 -0.16 -0.32 0.00 0.00 0.00 174.94 174.67 1pnl s MET 18 N 1.26 2.39 -0.11 2.79 1.75 -0.51 -1.02 119.30 125.85 1pnl s MET 18 Ca -0.06 -0.62 0.02 0.00 -1.25 0.00 0.00 55.69 53.78 1pnl s MET 18 Cb -0.13 -2.05 0.02 0.00 2.84 0.00 0.00 34.83 35.50 1pnl s MET 18 CO -0.02 -0.10 -0.15 0.08 -0.65 0.00 0.00 175.02 174.18 1pnl s VAL 19 N 1.10 1.47 -0.03 10.11 1.01 -0.22 -1.38 120.40 132.46 1pnl s VAL 19 Ca -0.03 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1pnl s VAL 19 Cb -0.14 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 1pnl s VAL 19 CO -0.04 0.44 -0.14 0.21 0.00 0.00 0.00 175.10 175.56 1pnl s ASN 20 N 1.04 1.74 -0.40 3.32 3.04 -0.83 -1.88 114.94 120.98 1pnl s ASN 20 Ca -0.05 -0.28 0.06 0.00 0.04 0.00 0.00 52.86 52.63 1pnl s ASN 20 Cb -0.15 -0.36 0.20 0.00 -1.54 0.00 0.00 41.25 39.40 1pnl s ASN 20 CO -0.02 0.14 0.41 0.61 -3.04 0.00 0.00 177.10 175.20 1pnl n GLY 21 N 3.01 2.40 3.74 1.21 0.00 0.19 -2.17 105.19 113.56 1pnl n GLY 21 Ca -0.17 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 1pnl n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pnl s PRO 22 N -0.41 4.24 -0.33 1.61 0.04 -1.24 -1.40 135.00 137.50 1pnl s PRO 22 Ca 0.34 2.36 -0.03 0.00 0.04 0.00 0.00 61.00 63.70 1pnl s PRO 22 Cb 0.09 -3.10 0.06 0.00 0.04 0.00 0.00 34.50 31.60 1pnl s PRO 22 CO -0.17 -0.47 0.07 -0.65 0.04 0.00 0.00 177.00 175.83 1pnl s GLN 23 N -0.33 2.35 0.00 4.56 -0.21 -1.26 0.01 119.66 124.78 1pnl s GLN 23 Ca 0.61 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 54.59 1pnl s GLN 23 Cb -0.43 -3.33 0.00 0.00 1.00 0.00 0.00 33.01 30.25 1pnl s GLN 23 CO 0.44 -0.74 0.56 1.19 -2.12 0.00 0.00 175.29 174.61 1pnl n PHE 24 N 4.65 0.00 0.00 0.91 3.72 -1.26 -4.57 117.46 120.90 1pnl n PHE 24 Ca -0.10 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 1pnl n PHE 24 Cb 0.43 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1pnl n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pnl n GLY 25 N -0.16 0.64 3.04 1.37 0.00 -1.26 -4.97 105.19 103.85 1pnl n GLY 25 Ca 0.00 -2.17 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 1pnl n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pnl s TRP 26 N -1.07 1.89 0.07 1.61 0.51 -1.26 -4.65 118.94 116.03 1pnl s TRP 26 Ca 0.00 -0.88 0.02 0.00 -2.12 0.00 0.00 56.10 53.12 1pnl s TRP 26 Cb 0.00 -1.38 -0.03 0.00 -0.81 0.00 0.00 33.47 31.25 1pnl s TRP 26 CO 0.00 -0.47 -0.07 0.71 -0.51 0.00 0.00 176.95 176.61 1pnl s TYR 27 N 1.03 0.79 -0.17 -1.98 2.02 -1.26 -1.62 117.35 116.15 1pnl s TYR 27 Ca -0.06 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1pnl s TYR 27 Cb -0.15 -0.46 0.03 0.00 -0.40 0.00 0.00 41.96 40.98 1pnl s TYR 27 CO -0.02 -0.11 -0.12 0.00 -1.57 0.00 0.00 175.55 173.74 1pnl s ALA 28 N -2.40 1.86 0.90 3.71 0.00 0.87 -3.52 121.76 123.18 1pnl s ALA 28 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 1pnl s ALA 28 Cb -0.03 -1.14 0.13 0.00 0.00 0.00 0.00 23.12 22.09 1pnl s ALA 28 CO -0.02 -0.58 1.10 -1.25 0.00 0.00 0.00 175.76 175.02 1pnl s PRO 29 N 1.47 1.20 0.30 0.00 0.04 -1.26 -4.34 135.00 132.40 1pnl s PRO 29 Ca 0.02 0.58 -0.26 0.00 0.04 0.00 0.00 61.00 61.38 1pnl s PRO 29 Cb -0.14 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 1pnl s PRO 29 CO -0.09 -2.22 0.59 0.00 0.04 0.00 0.00 177.00 175.32 1pnl n ALA 30 N -3.83 -1.92 -0.21 8.56 0.00 -1.23 -4.90 120.51 116.98 1pnl n ALA 30 Ca 0.06 0.32 -0.07 0.00 0.00 0.00 0.00 53.44 53.76 1pnl n ALA 30 Cb 0.57 -1.73 0.03 0.00 0.00 0.00 0.00 19.45 18.32 1pnl n ALA 30 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1pnl h TYR 31 N 1.11 0.80 -1.50 0.00 3.20 -1.82 -3.44 116.97 115.32 1pnl h TYR 31 Ca -0.35 -0.01 -0.44 0.00 3.14 0.00 0.00 58.73 61.07 1pnl h TYR 31 Cb 1.41 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1pnl h TYR 31 CO 0.40 0.57 -0.30 0.95 -1.64 0.00 0.00 178.16 178.14 1pnl s THR 32 N -5.91 3.00 -0.08 1.81 -4.23 -1.26 -2.25 115.64 106.72 1pnl s THR 32 Ca -0.13 -1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1pnl s THR 32 Cb 0.13 -3.04 0.03 0.00 1.34 0.00 0.00 72.50 70.96 1pnl s THR 32 CO 0.77 -0.02 -0.04 -0.47 -0.54 0.00 0.00 174.62 174.33 1pnl s TYR 33 N -2.37 1.00 0.13 3.99 5.04 0.08 -4.88 117.35 120.33 1pnl s TYR 33 Ca 0.52 -0.39 -0.30 0.00 -2.44 0.00 0.00 57.07 54.46 1pnl s TYR 33 Cb -0.08 -0.95 -0.06 0.00 0.35 0.00 0.00 41.96 41.22 1pnl s TYR 33 CO 0.31 -0.38 0.98 0.20 -1.34 0.00 0.00 175.55 175.33 1pnl s GLY 34 N 1.70 2.99 -0.25 8.97 0.00 -1.26 -1.82 107.32 117.65 1pnl s GLY 34 Ca 0.02 0.61 -0.24 0.00 0.00 0.00 0.00 44.72 45.11 1pnl s GLY 34 CO -0.05 1.47 0.69 -1.50 0.00 0.00 0.00 173.10 173.70 1pnl s ILE 35 N -0.10 0.00 -0.04 0.90 1.10 -0.71 -4.99 121.20 117.36 1pnl s ILE 35 Ca 0.47 -0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.67 1pnl s ILE 35 Cb -0.24 -0.96 -0.01 0.00 0.15 0.00 0.00 42.46 41.40 1pnl s ILE 35 CO 0.31 -0.00 -0.23 -0.83 -2.11 0.00 0.00 174.94 172.08 1pnl s GLY 36 N 0.34 1.15 -0.11 1.50 0.00 -1.26 -2.46 107.32 106.48 1pnl s GLY 36 Ca -0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 1pnl s GLY 36 CO 0.01 -0.65 -0.07 1.08 0.00 0.00 0.00 173.10 173.48 1pnl s LEU 37 N -0.26 1.12 -0.29 0.66 1.43 -0.30 -4.99 118.68 116.05 1pnl s LEU 37 Ca 0.01 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1pnl s LEU 37 Cb -0.11 -0.80 0.09 0.00 0.03 0.00 0.00 46.19 45.40 1pnl s LEU 37 CO 0.02 -0.13 0.08 -1.00 0.23 0.00 0.00 176.35 175.55 1pnl s HIS 38 N 1.74 1.67 0.00 0.29 3.76 -1.26 -1.03 115.29 120.46 1pnl s HIS 38 Ca 0.05 -1.62 0.00 0.00 -0.15 0.00 0.00 55.06 53.34 1pnl s HIS 38 Cb -0.13 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 31.95 1pnl s HIS 38 CO -0.08 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 173.39 1pnl n GLY 39 N 4.86 3.67 2.72 -2.22 0.00 -0.39 -5.02 105.19 108.81 1pnl n GLY 39 Ca -0.04 -1.45 -0.19 0.00 0.00 0.00 0.00 46.02 44.34 1pnl n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnl n ALA 40 N -1.77 -0.82 -0.01 4.61 0.00 -1.26 -2.12 120.51 119.13 1pnl n ALA 40 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1pnl n ALA 40 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 16.86 1pnl n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pnl n GLY 41 N -1.13 0.73 3.86 0.00 0.00 -1.26 -5.07 105.19 102.31 1pnl n GLY 41 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1pnl n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pnl s TYR 42 N -2.26 3.64 -0.46 1.61 2.02 -0.90 -4.84 117.35 116.16 1pnl s TYR 42 Ca 0.00 0.70 0.06 0.00 -0.37 0.00 0.00 57.07 57.46 1pnl s TYR 42 Cb 0.00 -2.08 0.18 0.00 -0.40 0.00 0.00 41.96 39.66 1pnl s TYR 42 CO 0.00 0.68 0.60 0.34 -1.57 0.00 0.00 175.55 175.60 1pnl s ASP 43 N -0.97 -0.59 0.14 2.29 2.15 -1.12 -1.26 116.67 117.31 1pnl s ASP 43 Ca 0.18 -1.84 0.04 0.00 0.43 0.00 0.00 52.55 51.37 1pnl s ASP 43 Cb -0.14 1.29 -0.04 0.00 -0.30 0.00 0.00 42.92 43.73 1pnl s ASP 43 CO 0.07 -0.12 -0.10 0.68 -0.17 0.00 0.00 175.17 175.54 1pnl s VAL 44 N 0.93 1.14 0.01 1.11 -7.23 -0.20 -4.36 120.40 111.80 1pnl s VAL 44 Ca 0.27 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1pnl s VAL 44 Cb -0.02 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 1pnl s VAL 44 CO -0.08 -0.75 0.00 0.42 -0.31 0.00 0.00 175.10 174.39 1pnl s THR 45 N -3.31 0.06 -5.00 5.32 -4.23 -0.96 -1.15 115.64 106.37 1pnl s THR 45 Ca 0.16 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1pnl s THR 45 Cb 0.02 -0.17 0.00 0.00 1.34 0.00 0.00 72.50 73.69 1pnl s THR 45 CO 0.00 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1pnl n GLY 46 N 2.24 -0.47 3.23 3.99 0.00 -1.03 -1.65 105.19 111.49 1pnl n GLY 46 Ca -0.19 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 1pnl n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnl s ASN 47 N -4.00 0.02 -0.10 1.61 2.20 -0.06 -1.74 114.94 112.88 1pnl s ASN 47 Ca 0.00 -0.50 -0.23 0.00 -0.94 0.00 0.00 52.86 51.19 1pnl s ASN 47 Cb 0.00 0.36 0.05 0.00 -2.00 0.00 0.00 41.25 39.66 1pnl s ASN 47 CO 0.00 -0.71 0.55 0.28 -2.94 0.00 0.00 177.10 174.28 1pnl s THR 48 N -3.53 0.01 0.30 0.54 -1.32 -0.75 -2.37 115.64 108.52 1pnl s THR 48 Ca 0.02 -0.11 -0.30 0.00 -1.21 0.00 0.00 61.69 60.09 1pnl s THR 48 Cb 0.03 -0.83 -0.12 0.00 -1.51 0.00 0.00 72.50 70.07 1pnl s THR 48 CO -0.09 -0.06 1.60 -2.65 -2.21 0.00 0.00 174.62 171.20 1pnl n PRO 49 N 1.70 2.72 -2.36 7.08 -0.02 -1.26 -0.74 135.00 142.11 1pnl n PRO 49 Ca -0.18 0.97 -0.12 0.00 -2.02 0.00 0.00 63.50 62.15 1pnl n PRO 49 Cb 0.56 -2.75 -0.01 0.00 -0.02 0.00 0.00 33.50 31.28 1pnl n PRO 49 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1pnl n PHE 50 N 2.05 -1.36 -4.06 6.00 3.72 -0.95 -2.29 117.46 120.56 1pnl n PHE 50 Ca 0.08 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.16 1pnl n PHE 50 Cb 0.37 -2.66 -0.01 0.00 -0.94 0.00 0.00 39.48 36.25 1pnl n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pnl n ALA 51 N -2.03 -1.46 -1.45 4.37 0.00 -1.18 -4.92 120.51 113.84 1pnl n ALA 51 Ca -0.14 -0.01 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 1pnl n ALA 51 Cb 0.59 -3.27 0.08 0.00 0.00 0.00 0.00 19.45 16.86 1pnl n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pnl n TYR 52 N -4.47 1.05 -0.28 0.00 4.01 -0.97 -4.88 117.16 111.62 1pnl n TYR 52 Ca -0.03 0.41 0.07 0.00 -0.16 0.00 0.00 57.90 58.19 1pnl n TYR 52 Cb 0.55 -2.13 0.22 0.00 -0.31 0.00 0.00 39.34 37.67 1pnl n TYR 52 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1pnl h PRO 53 N -0.06 0.51 -5.79 -0.72 0.11 -1.93 -3.39 132.00 120.72 1pnl h PRO 53 Ca -0.48 -0.03 -0.65 0.00 0.11 0.00 0.00 66.00 64.95 1pnl h PRO 53 Cb 1.34 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1pnl h PRO 53 CO 0.49 0.34 -0.38 0.20 -0.21 0.00 0.00 178.00 178.43 1pnl s GLY 54 N -3.52 2.27 -0.32 -0.55 0.00 -1.26 -4.90 107.32 99.03 1pnl s GLY 54 Ca -0.12 -0.50 -0.25 0.00 0.00 0.00 0.00 44.72 43.84 1pnl s GLY 54 CO 0.77 -0.22 0.87 1.08 0.00 0.00 0.00 173.10 175.60 1pnl s LEU 55 N -1.15 4.05 0.19 0.66 1.02 -1.26 -4.89 118.68 117.29 1pnl s LEU 55 Ca 0.19 0.71 0.03 0.00 0.02 0.00 0.00 54.13 55.09 1pnl s LEU 55 Cb -0.14 -3.21 0.08 0.00 0.02 0.00 0.00 46.19 42.95 1pnl s LEU 55 CO 0.09 -0.72 1.44 0.58 0.02 0.00 0.00 176.35 177.76 1pnl h VAL 56 N 5.67 1.46 -3.18 -1.59 2.07 -1.90 -3.43 116.25 115.36 1pnl h VAL 56 Ca -0.23 -2.40 -0.58 0.00 0.82 0.00 0.00 66.70 64.31 1pnl h VAL 56 Cb 1.08 2.30 -0.36 0.00 -1.52 0.00 0.00 31.29 32.80 1pnl h VAL 56 CO 0.93 0.70 -0.83 -0.36 0.02 0.00 0.00 177.57 178.04 1pnl s PHE 57 N -3.40 1.95 -4.16 1.57 0.08 -1.00 -4.08 117.98 108.94 1pnl s PHE 57 Ca -0.03 -1.02 0.00 0.00 0.12 0.00 0.00 56.93 56.00 1pnl s PHE 57 Cb 0.11 -1.45 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 1pnl s PHE 57 CO 0.82 -0.57 0.00 0.41 -0.10 0.00 0.00 175.22 175.77 1pnl n GLY 58 N 4.62 -1.23 3.40 4.36 0.00 -1.20 -0.88 105.19 114.26 1pnl n GLY 58 Ca -0.17 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 1pnl n GLY 58 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1pnl s HIS 59 N -3.00 0.19 -0.18 1.61 -3.43 -0.66 -1.97 115.29 107.85 1pnl s HIS 59 Ca 0.00 -0.55 0.15 0.00 -0.80 0.00 0.00 55.06 53.86 1pnl s HIS 59 Cb 0.00 0.12 0.39 0.00 -1.43 0.00 0.00 32.58 31.65 1pnl s HIS 59 CO 0.00 -0.79 1.24 0.27 -2.00 0.00 0.00 174.74 173.46 1pnl n ASN 60 N -0.26 2.26 0.00 7.38 0.23 -0.39 -2.27 115.26 122.21 1pnl n ASN 60 Ca -0.09 -3.47 0.00 0.00 -0.53 0.00 0.00 54.58 50.49 1pnl n ASN 60 Cb 0.63 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1pnl n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pnl n GLY 61 N -1.20 2.97 0.91 4.83 0.00 -1.26 -4.69 105.19 106.74 1pnl n GLY 61 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 1pnl n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pnl n VAL 62 N -2.00 0.02 -4.37 1.61 0.31 -1.26 -4.84 118.33 107.80 1pnl n VAL 62 Ca 0.00 -0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.13 1pnl n VAL 62 Cb 0.00 -1.42 -0.10 0.00 -0.91 0.00 0.00 33.84 31.41 1pnl n VAL 62 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1pnl s ILE 63 N -2.01 1.78 0.09 2.52 -4.36 -1.26 -1.15 121.20 116.80 1pnl s ILE 63 Ca -0.00 -2.21 0.05 0.00 -0.26 0.00 0.00 60.65 58.23 1pnl s ILE 63 Cb 0.00 -2.12 -0.03 0.00 1.25 0.00 0.00 42.46 41.56 1pnl s ILE 63 CO 0.01 -0.54 -0.14 -0.94 0.24 0.00 0.00 174.94 173.56 1pnl s SER 64 N -3.35 1.80 0.06 4.36 1.04 -0.30 -1.26 113.70 116.05 1pnl s SER 64 Ca 0.24 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 1pnl s SER 64 Cb -0.00 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1pnl s SER 64 CO 0.08 -0.10 -0.03 -1.66 0.98 0.00 0.00 173.24 172.51 1pnl s TRP 65 N -1.55 0.57 0.29 5.02 -2.14 -0.83 -2.56 118.94 117.73 1pnl s TRP 65 Ca 0.02 -1.06 -0.19 0.00 2.66 0.00 0.00 56.10 57.52 1pnl s TRP 65 Cb -0.08 -0.41 0.05 0.00 -3.10 0.00 0.00 33.47 29.93 1pnl s TRP 65 CO 0.02 -0.36 0.84 0.20 -2.66 0.00 0.00 176.95 174.99 1pnl s GLY 66 N -2.94 0.12 0.07 3.67 0.00 -0.73 -3.28 107.32 104.23 1pnl s GLY 66 Ca 0.08 -0.45 -0.04 0.00 0.00 0.00 0.00 44.72 44.31 1pnl s GLY 66 CO -0.09 0.24 0.05 -0.56 0.00 0.00 0.00 173.10 172.74 1pnl s SER 67 N -3.07 0.35 -0.01 1.64 0.01 -1.26 -1.01 113.70 110.34 1pnl s SER 67 Ca 0.15 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 56.41 1pnl s SER 67 Cb -0.04 0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.46 1pnl s SER 67 CO 0.08 -0.65 0.25 0.42 0.41 0.00 0.00 173.24 173.74 1pnl s THR 68 N -3.90 0.06 0.28 1.44 -4.23 -0.79 -4.76 115.64 103.74 1pnl s THR 68 Ca 0.07 -0.51 -0.30 0.00 -1.18 0.00 0.00 61.69 59.76 1pnl s THR 68 Cb 0.07 -0.53 -0.12 0.00 1.34 0.00 0.00 72.50 73.26 1pnl s THR 68 CO -0.10 -0.28 1.53 0.00 -0.54 0.00 0.00 174.62 175.23 1pnl n ALA 69 N 1.47 2.11 0.06 3.99 0.00 -1.26 -0.58 120.51 126.30 1pnl n ALA 69 Ca -0.21 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 1pnl n ALA 69 Cb 0.56 -2.40 -0.15 0.00 0.00 0.00 0.00 19.45 17.46 1pnl n ALA 69 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pnl h GLY 70 N 4.52 0.40 -4.66 0.00 0.00 -1.60 -3.41 103.07 98.32 1pnl h GLY 70 Ca -0.46 -1.02 -0.41 0.00 0.00 0.00 0.00 47.33 45.44 1pnl h GLY 70 CO 0.77 0.89 -0.62 0.69 0.00 0.00 0.00 176.54 178.28 1pnl n PHE 71 N -3.95 -2.05 -1.80 5.60 3.72 -1.26 -4.92 117.46 112.80 1pnl n PHE 71 Ca -0.18 0.57 -0.29 0.00 -0.05 0.00 0.00 57.45 57.50 1pnl n PHE 71 Cb 0.92 -4.49 0.11 0.00 -0.94 0.00 0.00 39.48 35.08 1pnl n PHE 71 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1pnl s GLY 72 N -2.76 1.59 -0.52 1.37 0.00 -1.26 -0.34 107.32 105.40 1pnl s GLY 72 Ca 0.34 -0.64 -0.19 0.00 0.00 0.00 0.00 44.72 44.22 1pnl s GLY 72 CO 0.42 -0.12 0.65 -0.35 0.00 0.00 0.00 173.10 173.70 1pnl s ASP 73 N -4.44 6.22 0.00 1.64 -1.08 -1.26 -3.92 116.67 113.83 1pnl s ASP 73 Ca 0.63 -0.98 0.00 0.00 -0.52 0.00 0.00 52.55 51.68 1pnl s ASP 73 Cb -0.12 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1pnl s ASP 73 CO 0.50 -0.94 0.84 -0.90 0.52 0.00 0.00 175.17 175.19 1pnl n ASP 74 N 6.25 1.55 -4.06 -0.34 5.75 -1.26 -4.73 116.55 119.71 1pnl n ASP 74 Ca -0.07 -1.70 -0.26 0.00 -0.01 0.00 0.00 54.79 52.76 1pnl n ASP 74 Cb 0.45 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.37 1pnl n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1pnl s VAL 75 N -0.70 1.29 0.10 2.12 1.01 -1.26 -1.10 120.40 121.86 1pnl s VAL 75 Ca 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1pnl s VAL 75 Cb 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1pnl s VAL 75 CO 0.00 0.39 -0.13 -1.81 0.00 0.00 0.00 175.10 173.55 1pnl s ASP 76 N 0.59 1.74 -0.15 3.32 1.01 -0.24 -4.95 116.67 117.98 1pnl s ASP 76 Ca -0.15 -0.73 -0.05 0.00 0.71 0.00 0.00 52.55 52.33 1pnl s ASP 76 Cb -0.16 -0.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 1pnl s ASP 76 CO 0.05 -0.14 0.04 -0.63 0.21 0.00 0.00 175.17 174.69 1pnl s ILE 77 N -1.84 4.61 -0.19 0.77 1.01 -1.26 -0.85 121.20 123.44 1pnl s ILE 77 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1pnl s ILE 77 Cb -0.07 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1pnl s ILE 77 CO 0.02 0.52 -0.05 -0.36 0.00 0.00 0.00 174.94 175.06 1pnl s PHE 78 N -0.06 2.95 -0.68 3.97 0.40 -0.16 -1.63 117.98 122.78 1pnl s PHE 78 Ca 0.05 -0.69 -0.24 0.00 -0.60 0.00 0.00 56.93 55.45 1pnl s PHE 78 Cb -0.12 -2.02 0.05 0.00 0.51 0.00 0.00 43.02 41.44 1pnl s PHE 78 CO 0.01 -0.34 1.09 0.00 0.70 0.00 0.00 175.22 176.68 1pnl s ALA 79 N 0.97 2.98 0.08 5.36 0.00 0.12 -0.24 121.76 131.02 1pnl s ALA 79 Ca -0.00 -1.59 -0.24 0.00 0.00 0.00 0.00 51.96 50.13 1pnl s ALA 79 Cb -0.15 -4.01 -0.06 0.00 0.00 0.00 0.00 23.12 18.90 1pnl s ALA 79 CO 0.01 -2.94 0.73 -1.21 0.00 0.00 0.00 175.76 172.34 1pnl s GLU 80 N 4.71 4.46 -0.49 0.00 0.41 0.29 -0.67 118.70 127.41 1pnl s GLU 80 Ca 0.28 1.02 -0.24 0.00 -0.41 0.00 0.00 54.97 55.62 1pnl s GLU 80 Cb -0.13 -3.32 0.03 0.00 -1.78 0.00 0.00 34.13 28.93 1pnl s GLU 80 CO 0.13 0.41 0.88 0.50 -0.49 0.00 0.00 175.26 176.69 1pnl s ARG 81 N -0.49 3.42 0.19 1.61 6.06 -1.26 -0.65 118.95 127.82 1pnl s ARG 81 Ca 0.36 -0.08 0.04 0.00 -2.50 0.00 0.00 55.73 53.54 1pnl s ARG 81 Cb -0.21 -3.97 -0.03 0.00 0.06 0.00 0.00 34.95 30.79 1pnl s ARG 81 CO 0.23 -1.27 0.29 -0.51 -2.50 0.00 0.00 175.30 171.54 1pnl s LEU 82 N 3.63 4.24 0.00 -0.88 1.43 -0.48 -2.10 118.68 124.53 1pnl s LEU 82 Ca 0.32 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1pnl s LEU 82 Cb -0.12 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 1pnl s LEU 82 CO 0.23 0.01 0.03 -0.94 0.23 0.00 0.00 176.35 175.90 1pnl s SER 83 N -3.52 5.30 0.13 2.29 1.04 -1.26 -4.84 113.70 112.84 1pnl s SER 83 Ca 0.34 0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.67 1pnl s SER 83 Cb -0.10 -1.43 -0.01 0.00 0.10 0.00 0.00 66.02 64.58 1pnl s SER 83 CO 0.28 0.27 1.56 0.00 0.98 0.00 0.00 173.24 176.33 1pnl h ALA 84 N 4.20 0.59 -4.35 5.32 0.00 -1.98 -3.40 119.26 119.64 1pnl h ALA 84 Ca -0.49 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 53.91 1pnl h ALA 84 Cb 1.18 -0.16 0.05 0.00 0.00 0.00 0.00 17.79 18.86 1pnl h ALA 84 CO 0.59 0.43 0.07 0.39 0.00 0.00 0.00 179.25 180.74 1pnl n GLU 85 N -4.34 0.15 -3.66 0.00 1.02 -1.26 -4.66 120.64 107.89 1pnl n GLU 85 Ca -0.00 -1.22 -0.24 0.00 -0.02 0.00 0.00 57.16 55.68 1pnl n GLU 85 Cb 0.34 -0.36 0.00 0.00 -0.02 0.00 0.00 31.44 31.40 1pnl n GLU 85 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pnl n LYS 86 N -1.92 -0.96 -2.79 3.49 4.76 -1.26 -4.90 118.16 114.57 1pnl n LYS 86 Ca 0.08 0.38 -0.32 0.00 -2.87 0.00 0.00 58.31 55.58 1pnl n LYS 86 Cb 0.27 -1.69 -0.05 0.00 -1.84 0.00 0.00 35.03 31.72 1pnl n LYS 86 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1pnl s PRO 87 N -5.07 3.97 0.00 1.97 0.04 -1.26 -3.94 135.00 130.71 1pnl s PRO 87 Ca 0.11 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1pnl s PRO 87 Cb -0.06 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1pnl s PRO 87 CO 0.71 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 178.11 1pnl n GLY 88 N -1.01 0.51 3.46 0.56 0.00 -1.26 -5.01 105.19 102.44 1pnl n GLY 88 Ca 0.05 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 1pnl n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pnl s TYR 89 N -2.00 2.36 0.03 1.61 1.51 -1.25 -0.59 117.35 119.01 1pnl s TYR 89 Ca 0.00 -0.33 -0.12 0.00 -1.01 0.00 0.00 57.07 55.61 1pnl s TYR 89 Cb 0.00 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.74 1pnl s TYR 89 CO 0.00 0.56 0.25 1.52 -1.11 0.00 0.00 175.55 176.77 1pnl s TYR 90 N -1.91 -0.05 -0.17 2.71 1.13 0.27 -4.32 117.35 115.01 1pnl s TYR 90 Ca 0.24 -0.08 -0.23 0.00 -1.41 0.00 0.00 57.07 55.59 1pnl s TYR 90 Cb -0.07 0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.80 1pnl s TYR 90 CO 0.12 -0.44 0.73 -1.17 -2.51 0.00 0.00 175.55 172.28 1pnl s LEU 91 N -1.90 4.17 -0.14 -3.49 2.96 -0.89 0.36 118.68 119.75 1pnl s LEU 91 Ca -0.07 1.02 -0.06 0.00 -0.22 0.00 0.00 54.13 54.80 1pnl s LEU 91 Cb -0.02 -3.07 0.06 0.00 0.50 0.00 0.00 46.19 43.67 1pnl s LEU 91 CO -0.02 -0.32 0.32 -2.28 -1.32 0.00 0.00 176.35 172.73 1pnl s HIS 92 N 1.92 -0.50 -1.25 5.38 2.46 -0.18 -4.20 115.29 118.92 1pnl s HIS 92 Ca 0.34 1.08 -0.19 0.00 0.47 0.00 0.00 55.06 56.75 1pnl s HIS 92 Cb -0.16 0.11 0.01 0.00 -0.13 0.00 0.00 32.58 32.41 1pnl s HIS 92 CO 0.12 -0.34 0.63 0.09 -2.47 0.00 0.00 174.74 172.77 1pnl n ASN 93 N 4.78 -3.48 -2.80 9.88 5.03 -0.92 -2.16 115.26 125.59 1pnl n ASN 93 Ca -0.16 -1.12 -0.19 0.00 0.87 0.00 0.00 54.58 53.97 1pnl n ASN 93 Cb 0.52 -2.67 0.01 0.00 -1.02 0.00 0.00 39.78 36.62 1pnl n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pnl n GLY 94 N -1.94 -0.50 2.97 7.41 0.00 -1.26 -5.01 105.19 106.86 1pnl n GLY 94 Ca -0.16 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1pnl n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnl s LYS 95 N -5.44 0.29 -0.45 1.61 1.02 -0.92 -5.11 119.74 110.74 1pnl s LYS 95 Ca 0.17 -0.52 -0.22 0.00 0.02 0.00 0.00 55.97 55.42 1pnl s LYS 95 Cb -0.08 0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.29 1pnl s LYS 95 CO 0.21 -0.03 0.75 -1.58 -0.92 0.00 0.00 175.35 173.79 1pnl s TRP 96 N -1.18 3.00 -0.07 3.18 0.52 -1.26 -1.02 118.94 122.12 1pnl s TRP 96 Ca -0.12 0.08 -0.09 0.00 0.02 0.00 0.00 56.10 55.98 1pnl s TRP 96 Cb -0.08 -3.60 -0.05 0.00 -1.15 0.00 0.00 33.47 28.60 1pnl s TRP 96 CO -0.01 -0.97 0.23 0.08 0.02 0.00 0.00 176.95 176.30 1pnl s VAL 97 N 3.18 5.35 0.09 4.03 1.01 0.16 -4.84 120.40 129.37 1pnl s VAL 97 Ca 0.28 0.41 -0.22 0.00 0.00 0.00 0.00 61.98 62.44 1pnl s VAL 97 Cb -0.13 -3.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 1pnl s VAL 97 CO 0.21 0.59 0.66 -0.75 0.00 0.00 0.00 175.10 175.82 1pnl s LYS 98 N -1.09 4.37 0.44 2.72 2.20 -1.26 0.95 119.74 128.07 1pnl s LYS 98 Ca 0.18 0.91 -0.15 0.00 -0.36 0.00 0.00 55.97 56.55 1pnl s LYS 98 Cb -0.14 -3.27 -0.08 0.00 -1.51 0.00 0.00 37.83 32.83 1pnl s LYS 98 CO 0.08 0.54 0.88 -1.64 -0.36 0.00 0.00 175.35 174.85 1pnl s MET 99 N -0.88 3.96 0.25 4.03 -1.94 0.24 -4.95 119.30 120.01 1pnl s MET 99 Ca 0.32 0.80 -0.23 0.00 -1.71 0.00 0.00 55.69 54.88 1pnl s MET 99 Cb -0.21 -2.26 -0.09 0.00 2.01 0.00 0.00 34.83 34.28 1pnl s MET 99 CO 0.22 -0.09 0.81 -0.51 -0.01 0.00 0.00 175.02 175.43 1pnl s LEU 100 N -3.68 4.38 0.05 -0.03 1.43 -0.20 -4.91 118.68 115.71 1pnl s LEU 100 Ca 0.57 1.60 -0.08 0.00 -1.03 0.00 0.00 54.13 55.19 1pnl s LEU 100 Cb -0.10 -3.70 -0.00 0.00 0.03 0.00 0.00 46.19 42.41 1pnl s LEU 100 CO 0.26 0.02 0.16 -0.94 0.23 0.00 0.00 176.35 176.08 1pnl s SER 101 N -1.57 0.11 -0.13 2.29 1.04 -1.26 0.15 113.70 114.33 1pnl s SER 101 Ca 0.45 -0.50 -0.11 0.00 0.48 0.00 0.00 55.95 56.27 1pnl s SER 101 Cb -0.18 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.25 1pnl s SER 101 CO 0.23 -0.58 0.33 0.00 0.98 0.00 0.00 173.24 174.20 1pnl s ARG 102 N -2.91 0.38 0.14 4.02 1.70 -0.27 -4.97 118.95 117.05 1pnl s ARG 102 Ca -0.02 0.48 -0.06 0.00 -0.47 0.00 0.00 55.73 55.65 1pnl s ARG 102 Cb 0.01 0.17 -0.06 0.00 -0.57 0.00 0.00 34.95 34.50 1pnl s ARG 102 CO -0.06 -0.05 0.39 -1.21 -1.08 0.00 0.00 175.30 173.29 1pnl s GLU 103 N 0.26 3.65 -0.00 3.89 2.02 -1.26 -1.49 118.70 125.76 1pnl s GLU 103 Ca -0.01 -0.01 0.02 0.00 0.02 0.00 0.00 54.97 54.99 1pnl s GLU 103 Cb -0.03 -2.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.34 1pnl s GLU 103 CO -0.00 0.47 -0.08 -1.21 0.02 0.00 0.00 175.26 174.46 1pnl s GLU 104 N -2.54 0.63 -0.17 1.61 0.41 0.28 -4.97 118.70 113.95 1pnl s GLU 104 Ca 0.40 -0.29 -0.01 0.00 -0.41 0.00 0.00 54.97 54.67 1pnl s GLU 104 Cb -0.12 -0.60 -0.00 0.00 -1.78 0.00 0.00 34.13 31.62 1pnl s GLU 104 CO 0.23 0.16 -0.13 0.99 -0.49 0.00 0.00 175.26 176.03 1pnl s THR 105 N -0.20 2.85 -0.34 3.63 2.01 -1.26 -0.56 115.64 121.77 1pnl s THR 105 Ca 0.03 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 1pnl s THR 105 Cb -0.03 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 1pnl s THR 105 CO -0.00 0.50 0.37 -0.63 -0.69 0.00 0.00 174.62 174.16 1pnl s ILE 106 N 0.94 5.16 0.06 1.82 -1.09 0.84 -4.92 121.20 124.02 1pnl s ILE 106 Ca -0.02 0.04 -0.23 0.00 -2.23 0.00 0.00 60.65 58.20 1pnl s ILE 106 Cb -0.15 -3.83 -0.06 0.00 -1.58 0.00 0.00 42.46 36.84 1pnl s ILE 106 CO -0.01 -0.11 0.71 -0.89 -1.23 0.00 0.00 174.94 173.41 1pnl s THR 107 N 2.03 4.71 -0.16 2.92 2.01 -1.26 -0.62 115.64 125.27 1pnl s THR 107 Ca 0.12 1.52 0.01 0.00 0.31 0.00 0.00 61.69 63.65 1pnl s THR 107 Cb -0.17 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.30 1pnl s THR 107 CO 0.12 0.42 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.58 1pnl s VAL 108 N -0.36 1.95 0.00 3.82 1.01 -1.26 -5.00 120.40 120.56 1pnl s VAL 108 Ca 0.35 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1pnl s VAL 108 Cb -0.20 -1.76 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 1pnl s VAL 108 CO 0.22 0.52 2.01 1.17 0.00 0.00 0.00 175.10 179.02 1pnl n LYS 109 N 4.45 2.74 -2.92 2.72 3.00 -1.26 -2.29 118.16 124.60 1pnl n LYS 109 Ca -0.20 0.98 -0.18 0.00 -0.00 0.00 0.00 58.31 58.91 1pnl n LYS 109 Cb 0.51 -3.03 0.03 0.00 0.00 0.00 0.00 35.03 32.54 1pnl n LYS 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1pnl n ASN 110 N 8.02 -5.24 -3.07 3.14 5.03 -1.26 -4.99 115.26 116.88 1pnl n ASN 110 Ca 0.21 -0.25 -0.11 0.00 0.87 0.00 0.00 54.58 55.30 1pnl n ASN 110 Cb 0.41 -4.06 -0.00 0.00 -1.02 0.00 0.00 39.78 35.11 1pnl n ASN 110 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1pnl s GLY 111 N -2.82 0.85 0.60 7.41 0.00 -0.97 -5.15 107.32 107.23 1pnl s GLY 111 Ca 0.27 -1.07 -0.14 0.00 0.00 0.00 0.00 44.72 43.77 1pnl s GLY 111 CO 0.33 -0.60 1.04 1.20 0.00 0.00 0.00 173.10 175.07 1pnl s GLN 112 N -2.65 3.39 0.62 2.90 -0.21 -1.26 -4.62 119.66 117.82 1pnl s GLN 112 Ca 0.22 1.06 -0.08 0.00 0.02 0.00 0.00 55.36 56.58 1pnl s GLN 112 Cb -0.03 -2.05 -0.00 0.00 1.00 0.00 0.00 33.01 31.93 1pnl s GLN 112 CO 0.15 -0.74 0.96 0.00 -2.12 0.00 0.00 175.29 173.54 1pnl s ALA 113 N -2.68 3.16 -0.02 6.09 0.00 -1.26 -4.42 121.76 122.64 1pnl s ALA 113 Ca 0.61 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.10 1pnl s ALA 113 Cb -0.14 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.20 1pnl s ALA 113 CO 0.41 -0.83 -0.02 -1.21 0.00 0.00 0.00 175.76 174.11 1pnl s GLU 114 N -5.10 0.34 0.10 0.00 2.02 0.21 -4.95 118.70 111.32 1pnl s GLU 114 Ca 0.54 -0.05 0.09 0.00 0.02 0.00 0.00 54.97 55.57 1pnl s GLU 114 Cb -0.11 -0.41 -0.03 0.00 0.10 0.00 0.00 34.13 33.68 1pnl s GLU 114 CO 0.48 -0.02 -0.22 0.95 0.02 0.00 0.00 175.26 176.47 1pnl s THR 115 N 0.43 1.82 0.24 3.63 -4.23 -1.25 0.29 115.64 116.57 1pnl s THR 115 Ca -0.04 -1.52 -0.15 0.00 -1.18 0.00 0.00 61.69 58.80 1pnl s THR 115 Cb -0.07 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.14 1pnl s THR 115 CO -0.01 0.03 0.52 0.72 -0.54 0.00 0.00 174.62 175.34 1pnl s PHE 116 N -1.07 0.19 0.04 3.99 -0.71 0.28 -4.96 117.98 115.74 1pnl s PHE 116 Ca 0.08 -0.57 0.06 0.00 -1.04 0.00 0.00 56.93 55.47 1pnl s PHE 116 Cb -0.10 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1pnl s PHE 116 CO 0.04 -1.02 -0.15 0.99 -1.34 0.00 0.00 175.22 173.74 1pnl s THR 117 N -3.98 2.99 -0.10 -4.49 2.01 -1.26 0.10 115.64 110.92 1pnl s THR 117 Ca 0.18 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1pnl s THR 117 Cb -0.02 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1pnl s THR 117 CO 0.07 0.33 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.49 1pnl s VAL 118 N -0.96 2.91 0.11 3.82 1.01 -0.56 -4.95 120.40 121.79 1pnl s VAL 118 Ca 0.16 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1pnl s VAL 118 Cb -0.11 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1pnl s VAL 118 CO 0.06 0.55 -0.16 0.26 0.00 0.00 0.00 175.10 175.82 1pnl s TRP 119 N -0.01 2.60 -0.02 5.22 0.52 -1.26 -1.11 118.94 124.88 1pnl s TRP 119 Ca -0.04 -0.23 -0.09 0.00 0.02 0.00 0.00 56.10 55.75 1pnl s TRP 119 Cb -0.14 -1.37 0.01 0.00 -1.15 0.00 0.00 33.47 30.81 1pnl s TRP 119 CO 0.04 0.40 0.20 0.50 0.02 0.00 0.00 176.95 178.11 1pnl s ARG 120 N -2.16 0.50 0.37 4.98 3.52 0.12 -0.93 118.95 125.35 1pnl s ARG 120 Ca 0.19 -0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.58 1pnl s ARG 120 Cb -0.11 0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.49 1pnl s ARG 120 CO 0.11 -0.12 0.07 0.25 -0.81 0.00 0.00 175.30 174.80 1pnl n THR 121 N 1.66 0.00 0.10 4.11 -2.24 -0.76 -1.04 114.28 116.11 1pnl n THR 121 Ca -0.21 -1.97 0.18 0.00 -2.27 0.00 0.00 64.05 59.78 1pnl n THR 121 Cb 0.56 0.58 0.74 0.00 -2.10 0.00 0.00 70.33 70.11 1pnl n THR 121 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1pnl h VAL 122 N 1.42 0.63 0.13 2.28 3.04 -2.00 -2.58 116.25 119.17 1pnl h VAL 122 Ca -0.30 0.00 -0.32 0.00 -1.01 0.00 0.00 66.70 65.07 1pnl h VAL 122 Cb 1.02 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 31.08 1pnl h VAL 122 CO 0.48 0.00 -1.62 0.45 -1.01 0.00 0.00 177.57 175.87 1pnl h HIS 123 N 0.00 0.51 0.00 3.17 3.86 -1.95 -3.51 115.15 117.23 1pnl h HIS 123 Ca 0.17 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1pnl h HIS 123 Cb 0.77 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1pnl h HIS 123 CO 0.00 1.46 0.00 0.41 0.86 0.00 0.00 177.93 180.66 1pnl n GLY 124 N 1.73 -1.08 3.77 2.45 0.00 -0.97 -3.86 105.19 107.22 1pnl n GLY 124 Ca -0.19 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 1pnl n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pnl s ASN 125 N -4.00 6.02 -0.13 1.61 -0.87 -1.26 -1.82 114.94 114.49 1pnl s ASN 125 Ca 0.00 2.35 -0.29 0.00 -1.57 0.00 0.00 52.86 53.34 1pnl s ASN 125 Cb 0.00 -2.60 -0.01 0.00 -0.02 0.00 0.00 41.25 38.61 1pnl s ASN 125 CO 0.00 -1.03 1.08 -0.63 -2.57 0.00 0.00 177.10 173.96 1pnl s ILE 126 N -1.54 4.59 -0.10 0.60 -1.09 -0.10 -1.98 121.20 121.58 1pnl s ILE 126 Ca 0.65 1.89 -0.13 0.00 -2.23 0.00 0.00 60.65 60.83 1pnl s ILE 126 Cb -0.29 -4.22 -0.11 0.00 -1.58 0.00 0.00 42.46 36.26 1pnl s ILE 126 CO 0.35 -0.05 0.43 -0.07 -1.23 0.00 0.00 174.94 174.37 1pnl h LEU 127 N 8.56 -0.06 -7.19 2.97 3.38 -1.05 -3.45 115.31 118.47 1pnl h LEU 127 Ca -0.28 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.28 1pnl h LEU 127 Cb 1.13 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 1pnl h LEU 127 CO 0.90 0.60 0.06 0.00 0.09 0.00 0.00 178.44 180.09 1pnl s GLN 128 N -2.19 1.13 0.04 1.13 -2.07 -1.24 -5.00 119.66 111.45 1pnl s GLN 128 Ca -0.08 -0.44 0.04 0.00 -1.82 0.00 0.00 55.36 53.06 1pnl s GLN 128 Cb -0.01 0.51 -0.02 0.00 -1.09 0.00 0.00 33.01 32.40 1pnl s GLN 128 CO 0.31 -0.45 -0.13 0.95 -1.32 0.00 0.00 175.29 174.65 1pnl s THR 129 N -3.26 1.03 -0.34 3.63 -4.23 -1.26 0.25 115.64 111.46 1pnl s THR 129 Ca -0.01 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.57 1pnl s THR 129 Cb 0.00 -0.94 0.10 0.00 1.34 0.00 0.00 72.50 73.00 1pnl s THR 129 CO -0.08 -0.02 0.07 -0.62 -0.54 0.00 0.00 174.62 173.43 1pnl s ASP 130 N -1.11 4.54 0.00 3.99 2.15 0.67 -4.96 116.67 121.96 1pnl s ASP 130 Ca 0.01 -2.05 0.28 0.00 0.43 0.00 0.00 52.55 51.22 1pnl s ASP 130 Cb -0.08 -1.41 1.29 0.00 -0.30 0.00 0.00 42.92 42.42 1pnl s ASP 130 CO 0.01 -0.38 1.92 0.00 -0.17 0.00 0.00 175.17 176.55 1pnl n GLN 131 N 4.38 0.19 0.03 4.34 6.02 -1.26 0.73 117.38 131.81 1pnl n GLN 131 Ca 0.02 0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.93 1pnl n GLN 131 Cb 0.42 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.04 1pnl n GLN 131 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1pnl h THR 132 N 0.00 1.22 0.02 5.09 1.35 -1.93 -3.31 112.91 115.35 1pnl h THR 132 Ca 0.00 -2.96 -0.35 0.00 -0.55 0.00 0.00 66.41 62.55 1pnl h THR 132 Cb 0.37 2.67 -0.06 0.00 -1.73 0.00 0.00 68.15 69.41 1pnl h THR 132 CO 0.00 0.76 -2.13 0.41 -0.25 0.00 0.00 175.52 174.31 1pnl n THR 133 N -3.29 1.54 -2.03 6.82 -1.04 -1.14 -4.99 114.28 110.16 1pnl n THR 133 Ca -0.12 -0.76 -0.02 0.00 -2.04 0.00 0.00 64.05 61.12 1pnl n THR 133 Cb 1.01 -1.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.53 1pnl n THR 133 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pnl n GLN 134 N -3.04 -0.57 -4.88 -2.82 1.13 0.22 -4.93 117.38 102.50 1pnl n GLN 134 Ca -0.30 0.09 -0.26 0.00 -1.94 0.00 0.00 57.00 54.59 1pnl n GLN 134 Cb 1.08 -2.62 -0.16 0.00 0.11 0.00 0.00 30.24 28.66 1pnl n GLN 134 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1pnl s THR 135 N -3.04 1.45 -0.02 5.09 2.01 0.14 -1.38 115.64 119.90 1pnl s THR 135 Ca 0.01 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1pnl s THR 135 Cb -0.00 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 1pnl s THR 135 CO 0.08 0.41 -0.12 0.00 -0.69 0.00 0.00 174.62 174.30 1pnl s ALA 136 N -0.31 1.03 -0.22 7.40 0.00 0.18 0.24 121.76 130.08 1pnl s ALA 136 Ca 0.04 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1pnl s ALA 136 Cb -0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 1pnl s ALA 136 CO 0.00 0.23 0.23 0.71 0.00 0.00 0.00 175.76 176.93 1pnl s TYR 137 N -0.16 3.35 -0.15 0.00 2.02 0.69 0.10 117.35 123.21 1pnl s TYR 137 Ca 0.02 0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 57.05 1pnl s TYR 137 Cb -0.06 -2.33 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 1pnl s TYR 137 CO -0.00 0.08 -0.04 0.00 -1.57 0.00 0.00 175.55 174.01 1pnl s ALA 138 N 1.03 2.98 -0.37 3.71 0.00 0.66 -0.37 121.76 129.40 1pnl s ALA 138 Ca 0.11 -0.82 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 1pnl s ALA 138 Cb -0.14 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.47 1pnl s ALA 138 CO 0.05 0.23 0.77 0.21 0.00 0.00 0.00 175.76 177.02 1pnl s LYS 139 N 0.31 3.71 -0.28 0.00 2.20 -0.84 -0.98 119.74 123.85 1pnl s LYS 139 Ca -0.04 0.24 -0.09 0.00 -0.36 0.00 0.00 55.97 55.72 1pnl s LYS 139 Cb -0.14 -3.82 -0.02 0.00 -1.51 0.00 0.00 37.83 32.34 1pnl s LYS 139 CO 0.03 -0.87 0.11 0.45 -0.36 0.00 0.00 175.35 174.72 1pnl s SER 140 N 1.87 5.37 -0.15 1.43 0.15 -0.03 -4.02 113.70 118.32 1pnl s SER 140 Ca 0.30 -0.38 -0.07 0.00 0.70 0.00 0.00 55.95 56.50 1pnl s SER 140 Cb -0.13 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1pnl s SER 140 CO 0.17 -0.12 0.09 -0.13 1.20 0.00 0.00 173.24 174.45 1pnl s ARG 141 N 1.61 3.68 0.52 5.44 0.52 -1.26 -1.08 118.95 128.38 1pnl s ARG 141 Ca 0.05 -0.27 0.28 0.00 -0.52 0.00 0.00 55.73 55.27 1pnl s ARG 141 Cb -0.16 -3.16 1.43 0.00 0.52 0.00 0.00 34.95 33.57 1pnl s ARG 141 CO 0.05 0.51 2.06 0.00 0.02 0.00 0.00 175.30 177.94 1pnl h ALA 142 N 5.90 1.25 -0.45 2.13 0.00 -1.39 -2.28 119.26 124.42 1pnl h ALA 142 Ca -0.45 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1pnl h ALA 142 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pnl h ALA 142 CO 0.65 0.15 0.00 -2.67 0.00 0.00 0.00 179.25 177.38 1pnl n TRP 143 N -3.59 0.60 -1.68 0.00 4.27 -1.26 -4.85 117.44 110.92 1pnl n TRP 143 Ca -0.02 -0.30 -0.45 0.00 -3.89 0.00 0.00 57.50 52.85 1pnl n TRP 143 Cb 0.25 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.16 1pnl n TRP 143 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 1pnl n ASP 144 N 1.06 3.69 0.00 -0.67 -0.08 -0.86 -1.99 116.55 117.70 1pnl n ASP 144 Ca 0.18 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.45 1pnl n ASP 144 Cb 0.47 -1.46 0.00 0.00 2.34 0.00 0.00 41.12 42.47 1pnl n ASP 144 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pnl n GLY 145 N 4.19 0.61 0.04 0.27 0.00 -1.26 -4.89 105.19 104.16 1pnl n GLY 145 Ca 0.20 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1pnl n GLY 145 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pnl n LYS 146 N -2.72 1.23 0.09 1.61 5.02 -0.84 -4.82 118.16 117.73 1pnl n LYS 146 Ca 0.00 -1.06 -0.13 0.00 -2.02 0.00 0.00 58.31 55.11 1pnl n LYS 146 Cb 0.00 -0.76 -0.07 0.00 -0.02 0.00 0.00 35.03 34.19 1pnl n LYS 146 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1pnl h GLU 147 N 0.00 -0.17 -0.45 1.97 3.07 -1.90 -1.45 114.58 115.64 1pnl h GLU 147 Ca 0.00 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1pnl h GLU 147 Cb 0.84 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.77 1pnl h GLU 147 CO 0.00 -0.11 0.15 0.28 -1.40 0.00 0.00 179.01 177.92 1pnl h VAL 148 N -0.17 1.22 -0.07 3.13 2.07 -1.94 -2.33 116.25 118.14 1pnl h VAL 148 Ca -0.00 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1pnl h VAL 148 Cb 0.16 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1pnl h VAL 148 CO -0.01 0.26 0.05 0.00 0.02 0.00 0.00 177.57 177.90 1pnl h ALA 149 N 1.00 2.05 -0.24 1.67 0.00 -1.87 -2.25 119.26 119.62 1pnl h ALA 149 Ca 0.15 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1pnl h ALA 149 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1pnl h ALA 149 CO -0.01 -0.09 -0.11 0.77 0.00 0.00 0.00 179.25 179.81 1pnl h SER 150 N 0.00 0.51 -0.39 0.00 0.02 -0.72 0.01 113.55 112.97 1pnl h SER 150 Ca 0.04 -0.41 0.08 0.00 -0.84 0.00 0.00 61.79 60.65 1pnl h SER 150 Cb 0.14 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1pnl h SER 150 CO -0.00 0.80 -0.07 0.25 -1.14 0.00 0.00 176.83 176.67 1pnl h LEU 151 N 0.21 -0.31 -0.62 5.07 6.46 -1.18 -2.12 115.31 122.83 1pnl h LEU 151 Ca 0.05 0.11 -0.12 0.00 -0.12 0.00 0.00 57.88 57.80 1pnl h LEU 151 Cb 0.61 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1pnl h LEU 151 CO 0.03 -0.11 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.49 1pnl h LEU 152 N 0.02 0.91 -0.93 2.25 3.38 -1.39 -2.10 115.31 117.46 1pnl h LEU 152 Ca 0.19 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1pnl h LEU 152 Cb 0.28 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1pnl h LEU 152 CO -0.38 1.07 0.54 0.00 0.09 0.00 0.00 178.44 179.76 1pnl h ALA 153 N 1.00 1.18 0.00 1.53 0.00 -0.73 0.03 119.26 122.27 1pnl h ALA 153 Ca 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pnl h ALA 153 Cb 0.73 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pnl h ALA 153 CO 0.06 0.66 -0.13 2.35 0.00 0.00 0.00 179.25 182.19 1pnl h TRP 154 N 1.29 0.00 0.00 0.00 2.91 -1.06 -2.48 115.95 116.60 1pnl h TRP 154 Ca 0.33 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.34 1pnl h TRP 154 Cb -0.02 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.63 1pnl h TRP 154 CO 0.01 0.13 -0.04 1.15 -1.03 0.00 0.00 178.44 178.66 1pnl h THR 155 N 0.00 1.10 0.00 2.65 2.02 -0.70 -3.38 112.91 114.60 1pnl h THR 155 Ca -0.00 -1.84 -0.01 0.00 0.77 0.00 0.00 66.41 65.33 1pnl h THR 155 Cb 0.25 2.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1pnl h THR 155 CO 0.02 0.37 -0.05 0.45 0.37 0.00 0.00 175.52 176.68 1pnl h HIS 156 N -1.00 0.00 0.00 3.16 3.86 -1.02 -2.33 115.15 117.81 1pnl h HIS 156 Ca -0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1pnl h HIS 156 Cb 0.64 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 1pnl h HIS 156 CO 0.17 0.05 -0.19 -0.56 0.86 0.00 0.00 177.93 178.26 1pnl h GLN 157 N 0.00 0.00 0.00 2.45 -0.00 -1.62 -2.84 115.11 113.11 1pnl h GLN 157 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1pnl h GLN 157 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.60 1pnl h GLN 157 CO 0.01 0.19 -0.04 0.52 -0.00 0.00 0.00 178.83 179.51 1pnl h MET 158 N 0.00 0.00 0.00 0.06 2.86 -1.61 -2.01 114.93 114.23 1pnl h MET 158 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1pnl h MET 158 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1pnl h MET 158 CO 0.02 0.04 -0.46 1.63 1.06 0.00 0.00 176.91 179.20 1pnl n LYS 159 N -3.82 0.14 -1.79 1.72 5.02 -1.07 -4.71 118.16 113.64 1pnl n LYS 159 Ca -0.03 0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.94 1pnl n LYS 159 Cb 0.13 -1.60 0.06 0.00 -0.02 0.00 0.00 35.03 33.60 1pnl n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pnl s ALA 160 N -3.08 2.51 0.00 7.82 0.00 -0.76 -4.95 121.76 123.31 1pnl s ALA 160 Ca 0.09 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1pnl s ALA 160 Cb 0.16 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1pnl s ALA 160 CO 0.68 -1.48 0.42 1.63 0.00 0.00 0.00 175.76 177.01 1pnl n LYS 161 N -1.64 -0.61 -3.84 0.00 4.76 -1.26 -4.68 118.16 110.89 1pnl n LYS 161 Ca 0.14 -0.42 -0.08 0.00 -2.87 0.00 0.00 58.31 55.08 1pnl n LYS 161 Cb 0.48 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 1pnl n LYS 161 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1pnl s ASN 162 N -0.03 -0.06 0.16 4.39 2.20 -1.26 -4.82 114.94 115.51 1pnl s ASN 162 Ca 0.00 -0.96 -0.14 0.00 -0.94 0.00 0.00 52.86 50.82 1pnl s ASN 162 Cb 0.00 0.80 0.04 0.00 -2.00 0.00 0.00 41.25 40.09 1pnl s ASN 162 CO 0.00 -1.54 1.77 -0.25 -2.94 0.00 0.00 177.10 174.14 1pnl h TRP 163 N 2.01 0.69 -0.06 1.54 2.91 -1.98 0.36 115.95 121.42 1pnl h TRP 163 Ca -0.27 -0.02 0.03 0.00 1.13 0.00 0.00 58.89 59.76 1pnl h TRP 163 Cb 1.25 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 29.65 1pnl h TRP 163 CO 1.01 0.51 -0.12 1.96 -1.03 0.00 0.00 178.44 180.76 1pnl h GLN 164 N 0.67 -0.17 -0.39 2.65 4.20 -1.99 0.49 115.11 120.56 1pnl h GLN 164 Ca 0.18 0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 1pnl h GLN 164 Cb 0.05 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1pnl h GLN 164 CO -0.03 -0.12 -0.32 0.93 -0.67 0.00 0.00 178.83 178.62 1pnl h GLU 165 N -0.18 0.87 -0.29 1.46 5.08 -1.90 -2.97 114.58 116.64 1pnl h GLU 165 Ca 0.06 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1pnl h GLU 165 Cb 0.27 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1pnl h GLU 165 CO -0.16 1.06 0.17 2.35 -1.00 0.00 0.00 179.01 181.43 1pnl h TRP 166 N 0.73 0.32 0.00 4.33 7.01 0.30 -2.61 115.95 126.03 1pnl h TRP 166 Ca 0.07 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1pnl h TRP 166 Cb 0.89 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.84 1pnl h TRP 166 CO 0.05 0.19 -0.06 1.79 -2.79 0.00 0.00 178.44 177.63 1pnl h THR 167 N 0.36 0.19 -0.04 2.65 1.35 -0.03 -1.37 112.91 116.01 1pnl h THR 167 Ca 0.11 -0.56 -0.04 0.00 -0.55 0.00 0.00 66.41 65.37 1pnl h THR 167 Cb -0.01 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1pnl h THR 167 CO -0.05 0.06 -0.16 1.56 -0.25 0.00 0.00 175.52 176.68 1pnl h GLN 168 N 0.00 0.07 0.22 4.72 4.20 -1.30 -0.54 115.11 122.48 1pnl h GLN 168 Ca -0.00 -0.01 -0.33 0.00 0.06 0.00 0.00 58.65 58.37 1pnl h GLN 168 Cb 0.46 -0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.26 1pnl h GLN 168 CO 0.01 0.23 -1.49 1.96 -0.67 0.00 0.00 178.83 178.87 1pnl h GLN 169 N 0.06 0.47 -0.80 1.46 1.08 -1.29 -3.31 115.11 112.78 1pnl h GLN 169 Ca 0.01 -0.80 0.05 0.00 -1.45 0.00 0.00 58.65 56.47 1pnl h GLN 169 Cb 0.33 0.30 -0.05 0.00 -0.05 0.00 0.00 27.48 28.00 1pnl h GLN 169 CO 0.02 1.38 0.53 0.00 -0.95 0.00 0.00 178.83 179.81 1pnl h ALA 170 N 0.24 1.58 0.00 3.87 0.00 -0.72 -0.39 119.26 123.84 1pnl h ALA 170 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1pnl h ALA 170 Cb 2.13 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1pnl h ALA 170 CO 0.25 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1pnl n ALA 171 N -2.42 1.24 0.68 0.00 0.00 -0.27 -1.95 120.51 117.79 1pnl n ALA 171 Ca 0.11 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.77 1pnl n ALA 171 Cb 0.18 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1pnl n ALA 171 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pnl n LYS 172 N -2.14 1.78 -2.83 0.00 5.02 -0.17 -4.86 118.16 114.97 1pnl n LYS 172 Ca -0.00 -0.68 -0.42 0.00 -2.02 0.00 0.00 58.31 55.19 1pnl n LYS 172 Cb 0.09 -1.24 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1pnl n LYS 172 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1pnl s GLN 173 N -1.91 4.00 0.00 1.97 -0.44 -0.82 -4.16 119.66 118.30 1pnl s GLN 173 Ca 0.12 0.78 0.23 0.00 -2.50 0.00 0.00 55.36 53.98 1pnl s GLN 173 Cb 0.12 -3.73 0.06 0.00 -1.64 0.00 0.00 33.01 27.82 1pnl s GLN 173 CO 0.42 -0.76 1.10 0.00 0.50 0.00 0.00 175.29 176.55 1pnl n ALA 174 N 6.44 4.19 -2.09 1.58 0.00 -1.26 -2.52 120.51 126.84 1pnl n ALA 174 Ca 0.07 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 52.68 1pnl n ALA 174 Cb 0.48 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 1pnl n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pnl s LEU 175 N -2.91 3.69 -0.86 0.00 1.43 -1.26 -1.49 118.68 117.27 1pnl s LEU 175 Ca 0.11 1.22 -0.25 0.00 -1.03 0.00 0.00 54.13 54.18 1pnl s LEU 175 Cb 0.17 -4.14 0.02 0.00 0.03 0.00 0.00 46.19 42.26 1pnl s LEU 175 CO 0.77 -0.52 1.53 0.28 0.23 0.00 0.00 176.35 178.64 1pnl s THR 176 N -2.58 3.71 -0.00 5.49 -1.32 -1.26 -3.47 115.64 116.20 1pnl s THR 176 Ca 0.53 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 1pnl s THR 176 Cb -0.10 -4.69 0.00 0.00 -1.51 0.00 0.00 72.50 66.19 1pnl s THR 176 CO 0.36 -1.62 0.00 -0.63 -2.21 0.00 0.00 174.62 170.53 1pnl s ILE 177 N 6.60 0.01 -0.03 5.08 -1.09 -1.13 -1.61 121.20 129.03 1pnl s ILE 177 Ca 0.49 0.01 -0.26 0.00 -2.23 0.00 0.00 60.65 58.67 1pnl s ILE 177 Cb -0.05 -0.03 -0.04 0.00 -1.58 0.00 0.00 42.46 40.76 1pnl s ILE 177 CO 0.03 0.01 0.79 0.20 -1.23 0.00 0.00 174.94 174.74 1pnl s ASN 178 N 0.07 7.13 -0.02 3.58 0.01 0.26 -0.99 114.94 124.98 1pnl s ASN 178 Ca -0.01 1.36 0.03 0.00 -0.71 0.00 0.00 52.86 53.54 1pnl s ASN 178 Cb -0.01 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 1pnl s ASN 178 CO -0.00 -0.14 -0.10 0.26 -1.51 0.00 0.00 177.10 175.61 1pnl s TRP 179 N 0.73 2.80 0.03 2.20 0.52 0.76 -1.89 118.94 124.08 1pnl s TRP 179 Ca 0.42 -0.09 0.06 0.00 0.02 0.00 0.00 56.10 56.51 1pnl s TRP 179 Cb -0.19 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.50 1pnl s TRP 179 CO 0.22 0.30 -0.17 0.71 0.02 0.00 0.00 176.95 178.03 1pnl s TYR 180 N -0.88 1.49 0.01 -1.98 1.51 -0.18 -1.08 117.35 116.23 1pnl s TYR 180 Ca 0.14 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 55.92 1pnl s TYR 180 Cb -0.11 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.82 1pnl s TYR 180 CO 0.04 0.04 -0.16 -0.47 -1.11 0.00 0.00 175.55 173.90 1pnl s TYR 181 N -0.70 1.38 0.01 2.71 6.14 -0.70 -1.78 117.35 124.41 1pnl s TYR 181 Ca 0.05 -0.29 -0.10 0.00 0.64 0.00 0.00 57.07 57.36 1pnl s TYR 181 Cb -0.08 -0.86 0.01 0.00 0.42 0.00 0.00 41.96 41.45 1pnl s TYR 181 CO 0.01 0.01 0.21 0.00 0.64 0.00 0.00 175.55 176.42 1pnl s ALA 182 N -0.53 -0.49 0.25 3.97 0.00 -1.06 -1.07 121.76 122.82 1pnl s ALA 182 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1pnl s ALA 182 Cb -0.07 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1pnl s ALA 182 CO 0.00 -0.27 0.20 0.16 0.00 0.00 0.00 175.76 175.85 1pnl s ASP 183 N -1.55 0.67 0.59 0.00 1.47 -0.64 -1.14 116.67 116.07 1pnl s ASP 183 Ca -0.12 -1.50 0.36 0.00 1.18 0.00 0.00 52.55 52.47 1pnl s ASP 183 Cb -0.05 0.45 1.88 0.00 -0.34 0.00 0.00 42.92 44.86 1pnl s ASP 183 CO 0.01 -0.93 2.20 0.58 0.68 0.00 0.00 175.17 177.71 1pnl h VAL 184 N 2.44 0.24 -0.01 2.11 2.07 -1.47 -2.07 116.25 119.56 1pnl h VAL 184 Ca -0.32 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1pnl h VAL 184 Cb 1.24 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1pnl h VAL 184 CO 0.47 0.03 -0.13 0.59 0.02 0.00 0.00 177.57 178.55 1pnl n ASN 185 N -3.36 0.70 0.00 0.57 3.02 -1.26 -4.54 115.26 110.38 1pnl n ASN 185 Ca -0.02 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1pnl n ASN 185 Cb 0.16 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1pnl n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pnl n GLY 186 N 1.27 0.74 3.77 7.41 0.00 -0.78 -4.95 105.19 112.64 1pnl n GLY 186 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1pnl n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pnl s ASN 187 N -2.55 7.07 0.04 1.61 0.01 -1.26 -2.83 114.94 117.03 1pnl s ASN 187 Ca 0.00 2.08 0.03 0.00 -0.71 0.00 0.00 52.86 54.26 1pnl s ASN 187 Cb 0.00 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 1pnl s ASN 187 CO 0.00 -0.27 -0.08 0.27 -1.51 0.00 0.00 177.10 175.50 1pnl s ILE 188 N -1.45 0.62 0.17 0.60 -4.36 -1.26 -1.61 121.20 113.90 1pnl s ILE 188 Ca 0.51 -0.98 -0.15 0.00 -0.26 0.00 0.00 60.65 59.77 1pnl s ILE 188 Cb -0.25 -0.64 0.02 0.00 1.25 0.00 0.00 42.46 42.84 1pnl s ILE 188 CO 0.32 -0.27 0.44 -0.83 0.24 0.00 0.00 174.94 174.83 1pnl s GLY 189 N -1.36 0.01 -0.10 6.27 0.00 -0.24 -0.16 107.32 111.74 1pnl s GLY 189 Ca -0.07 -0.35 -0.08 0.00 0.00 0.00 0.00 44.72 44.23 1pnl s GLY 189 CO 0.01 -0.41 0.25 -0.47 0.00 0.00 0.00 173.10 172.48 1pnl s TYR 190 N -3.88 -0.30 -0.04 1.90 5.04 -0.37 -1.72 117.35 117.98 1pnl s TYR 190 Ca 0.10 0.72 -0.02 0.00 -2.44 0.00 0.00 57.07 55.43 1pnl s TYR 190 Cb 0.01 0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.44 1pnl s TYR 190 CO -0.04 -0.16 0.08 0.08 -1.34 0.00 0.00 175.55 174.17 1pnl s VAL 191 N 0.41 -0.10 -0.79 3.14 1.01 -0.24 -1.42 120.40 122.41 1pnl s VAL 191 Ca -0.02 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 1pnl s VAL 191 Cb -0.04 -0.16 0.08 0.00 0.00 0.00 0.00 36.38 36.26 1pnl s VAL 191 CO -0.02 0.11 1.10 -2.28 0.00 0.00 0.00 175.10 174.01 1pnl s HIS 192 N 1.50 2.76 0.64 5.22 2.46 -0.37 -0.17 115.29 127.33 1pnl s HIS 192 Ca -0.04 -0.80 -0.08 0.00 0.47 0.00 0.00 55.06 54.61 1pnl s HIS 192 Cb -0.12 -4.37 0.02 0.00 -0.13 0.00 0.00 32.58 27.98 1pnl s HIS 192 CO -0.04 -1.67 0.97 0.95 -2.47 0.00 0.00 174.74 172.48 1pnl s THR 193 N 3.88 3.46 0.00 0.89 -4.23 -0.16 -4.31 115.64 115.17 1pnl s THR 193 Ca 0.29 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 1pnl s THR 193 Cb -0.10 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1pnl s THR 193 CO 0.02 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1pnl n GLY 194 N -2.75 3.88 3.64 3.99 0.00 -1.05 -2.85 105.19 110.04 1pnl n GLY 194 Ca 0.06 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 1pnl n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnl s ALA 195 N -2.38 3.58 -0.04 4.61 0.00 -0.56 -4.90 121.76 122.06 1pnl s ALA 195 Ca 0.00 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1pnl s ALA 195 Cb 0.00 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1pnl s ALA 195 CO 0.00 -0.63 -0.22 0.71 0.00 0.00 0.00 175.76 175.62 1pnl s TYR 196 N 2.08 2.07 0.58 0.00 2.02 -1.26 -4.61 117.35 118.22 1pnl s TYR 196 Ca 0.24 -0.52 -0.19 0.00 -0.37 0.00 0.00 57.07 56.23 1pnl s TYR 196 Cb -0.16 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 1pnl s TYR 196 CO 0.09 -0.13 1.17 -1.25 -1.57 0.00 0.00 175.55 173.87 1pnl s PRO 197 N -0.27 3.09 -0.56 -1.71 0.04 -1.26 -0.84 135.00 133.50 1pnl s PRO 197 Ca 0.02 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 1pnl s PRO 197 Cb -0.11 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.61 1pnl s PRO 197 CO 0.01 -1.08 0.49 0.34 0.04 0.00 0.00 177.00 176.80 1pnl s ASP 198 N -1.72 6.12 0.39 6.66 2.15 0.06 -4.51 116.67 125.82 1pnl s ASP 198 Ca 0.75 -1.93 -0.11 0.00 0.43 0.00 0.00 52.55 51.69 1pnl s ASP 198 Cb -0.27 -2.16 -0.07 0.00 -0.30 0.00 0.00 42.92 40.12 1pnl s ASP 198 CO 0.31 -0.78 0.76 -0.13 -0.17 0.00 0.00 175.17 175.16 1pnl s ARG 199 N 1.37 3.80 0.39 4.34 0.52 -1.26 -0.08 118.95 128.03 1pnl s ARG 199 Ca 0.05 0.49 -0.27 0.00 -0.52 0.00 0.00 55.73 55.48 1pnl s ARG 199 Cb -0.27 -2.40 -0.09 0.00 0.52 0.00 0.00 34.95 32.71 1pnl s ARG 199 CO 0.01 -0.01 1.32 -0.65 0.02 0.00 0.00 175.30 175.99 1pnl s GLN 200 N -3.73 4.05 0.09 3.54 -1.52 -1.26 -4.83 119.66 116.01 1pnl s GLN 200 Ca 0.51 2.21 -0.33 0.00 -1.95 0.00 0.00 55.36 55.80 1pnl s GLN 200 Cb -0.10 -2.84 -0.12 0.00 -0.22 0.00 0.00 33.01 29.73 1pnl s GLN 200 CO 0.29 -0.44 1.75 0.45 -0.25 0.00 0.00 175.29 177.10 1pnl n SER 201 N 0.29 3.57 0.00 5.90 2.88 -1.26 -1.79 113.62 123.20 1pnl n SER 201 Ca 0.03 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1pnl n SER 201 Cb 0.43 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1pnl n SER 201 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pnl n GLY 202 N 3.97 0.62 3.64 0.46 0.00 -1.26 -5.04 105.19 107.58 1pnl n GLY 202 Ca 0.19 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1pnl n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pnl s HIS 203 N -2.00 3.28 -0.44 1.61 5.04 -0.74 -5.02 115.29 117.02 1pnl s HIS 203 Ca 0.00 1.11 -0.17 0.00 -1.54 0.00 0.00 55.06 54.46 1pnl s HIS 203 Cb 0.00 -3.16 0.03 0.00 0.04 0.00 0.00 32.58 29.50 1pnl s HIS 203 CO 0.00 -0.47 0.45 0.34 -2.34 0.00 0.00 174.74 172.72 1pnl s ASP 204 N 1.41 6.19 0.00 9.88 -1.08 -1.26 -4.95 116.67 126.85 1pnl s ASP 204 Ca 0.36 -0.83 0.10 0.00 -0.52 0.00 0.00 52.55 51.67 1pnl s ASP 204 Cb -0.15 -2.22 0.59 0.00 -1.46 0.00 0.00 42.92 39.68 1pnl s ASP 204 CO 0.09 -0.63 1.07 -0.81 0.52 0.00 0.00 175.17 175.41 1pnl n PRO 205 N 5.60 0.29 0.02 4.34 -0.04 -1.26 -2.42 135.00 141.53 1pnl n PRO 205 Ca -0.08 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1pnl n PRO 205 Cb 0.46 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.59 1pnl n PRO 205 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pnl n ARG 206 N -1.04 0.15 -4.11 0.54 1.74 -1.26 -4.78 116.66 107.90 1pnl n ARG 206 Ca 0.07 0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 57.06 1pnl n ARG 206 Cb 0.04 -1.58 -0.11 0.00 -1.02 0.00 0.00 32.46 29.80 1pnl n ARG 206 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pnl s LEU 207 N -3.58 2.37 0.76 0.55 1.43 -1.02 -5.04 118.68 114.16 1pnl s LEU 207 Ca 0.08 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 1pnl s LEU 207 Cb 0.15 -0.12 0.04 0.00 0.03 0.00 0.00 46.19 46.29 1pnl s LEU 207 CO 0.74 -0.32 1.05 -2.65 0.23 0.00 0.00 176.35 175.39 1pnl n PRO 208 N 0.82 0.37 -4.32 1.29 -0.02 -1.26 -4.77 135.00 127.11 1pnl n PRO 208 Ca -0.18 0.19 -0.24 0.00 -2.02 0.00 0.00 63.50 61.25 1pnl n PRO 208 Cb 0.57 -2.30 -0.12 0.00 -0.02 0.00 0.00 33.50 31.63 1pnl n PRO 208 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1pnl s VAL 209 N -1.94 1.86 0.43 -1.45 -7.23 -0.65 -4.97 120.40 106.45 1pnl s VAL 209 Ca 0.73 -1.73 -0.26 0.00 -1.81 0.00 0.00 61.98 58.91 1pnl s VAL 209 Cb -0.32 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 1pnl s VAL 209 CO 0.51 -0.13 1.40 -2.84 -0.31 0.00 0.00 175.10 173.72 1pnl s PRO 210 N -2.28 3.84 -0.12 4.82 0.02 -1.26 0.10 135.00 140.12 1pnl s PRO 210 Ca 0.12 2.36 0.17 0.00 0.02 0.00 0.00 61.00 63.67 1pnl s PRO 210 Cb -0.08 -2.74 0.63 0.00 0.02 0.00 0.00 34.50 32.33 1pnl s PRO 210 CO 0.06 -0.67 1.54 0.41 -0.33 0.00 0.00 177.00 178.01 1pnl n GLY 211 N 0.59 3.02 0.00 0.52 0.00 0.15 -4.33 105.19 105.14 1pnl n GLY 211 Ca 0.04 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.37 1pnl n GLY 211 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pnl n THR 212 N 0.70 0.14 0.00 2.61 -2.24 -1.26 -4.75 114.28 109.48 1pnl n THR 212 Ca 0.23 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1pnl n THR 212 Cb 0.84 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1pnl n THR 212 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pnl n GLY 213 N 0.82 4.24 0.17 3.38 0.00 -1.26 -2.17 105.19 110.38 1pnl n GLY 213 Ca 0.14 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1pnl n GLY 213 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pnl h LYS 214 N 0.00 0.00 -0.01 1.61 6.56 -1.91 -3.25 116.57 119.56 1pnl h LYS 214 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1pnl h LYS 214 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1pnl h LYS 214 CO 0.00 0.39 -0.17 0.91 -2.06 0.00 0.00 179.45 178.52 1pnl n TRP 215 N -3.33 0.00 -1.77 -1.35 7.02 -1.26 -4.95 117.44 111.80 1pnl n TRP 215 Ca 0.01 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.08 1pnl n TRP 215 Cb 0.60 -0.10 -0.01 0.00 -2.42 0.00 0.00 31.31 29.37 1pnl n TRP 215 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1pnl s ASP 216 N -2.38 6.36 0.63 -0.99 1.01 -1.23 -4.67 116.67 115.40 1pnl s ASP 216 Ca 0.29 2.97 -0.18 0.00 0.71 0.00 0.00 52.55 56.34 1pnl s ASP 216 Cb 0.20 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1pnl s ASP 216 CO 0.47 -0.92 0.99 0.79 0.21 0.00 0.00 175.17 176.71 1pnl n TRP 217 N 1.98 0.89 0.22 4.23 8.01 -1.26 -4.59 117.44 126.92 1pnl n TRP 217 Ca 0.07 0.43 0.12 0.00 -1.31 0.00 0.00 57.50 56.81 1pnl n TRP 217 Cb 0.38 -2.14 0.18 0.00 -2.01 0.00 0.00 31.31 27.72 1pnl n TRP 217 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 1pnl h LYS 218 N 0.36 0.00 0.00 -0.99 1.57 -0.81 -3.49 116.57 113.21 1pnl h LYS 218 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1pnl h LYS 218 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1pnl h LYS 218 CO 0.50 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.80 1pnl n GLY 219 N 1.08 -0.01 3.33 3.86 0.00 -1.23 -4.98 105.19 107.24 1pnl n GLY 219 Ca 0.04 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 1pnl n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pnl s LEU 220 N 0.00 2.28 0.44 0.99 1.43 -1.26 -0.76 118.68 121.80 1pnl s LEU 220 Ca 0.00 -0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 52.19 1pnl s LEU 220 Cb 0.00 -1.08 -0.09 0.00 0.03 0.00 0.00 46.19 45.05 1pnl s LEU 220 CO 0.00 0.14 1.04 -0.76 0.23 0.00 0.00 176.35 177.00 1pnl s LEU 221 N -1.83 4.00 0.66 1.79 1.43 -0.02 -4.69 118.68 120.01 1pnl s LEU 221 Ca 0.10 1.97 -0.13 0.00 -1.03 0.00 0.00 54.13 55.04 1pnl s LEU 221 Cb -0.10 -4.37 -0.00 0.00 0.03 0.00 0.00 46.19 41.75 1pnl s LEU 221 CO 0.05 -0.62 1.07 -2.16 0.23 0.00 0.00 176.35 174.92 1pnl s PRO 222 N -2.86 2.97 0.61 1.29 0.04 -1.26 -4.65 135.00 131.14 1pnl s PRO 222 Ca 0.62 1.15 0.37 0.00 0.04 0.00 0.00 61.00 63.19 1pnl s PRO 222 Cb -0.19 -1.99 1.98 0.00 0.04 0.00 0.00 34.50 34.34 1pnl s PRO 222 CO 0.23 -1.09 2.23 0.35 0.04 0.00 0.00 177.00 178.77 1pnl h PHE 223 N -0.20 0.00 0.00 0.56 3.57 -1.94 -1.28 116.94 117.66 1pnl h PHE 223 Ca -0.45 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1pnl h PHE 223 Cb 1.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1pnl h PHE 223 CO 0.59 0.02 -0.18 1.49 -2.23 0.00 0.00 178.31 178.00 1pnl h GLU 224 N 0.00 0.00 0.00 1.11 4.81 -2.02 -1.93 114.58 116.54 1pnl h GLU 224 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pnl h GLU 224 Cb 0.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1pnl h GLU 224 CO 0.00 0.18 -0.00 0.52 -0.73 0.00 0.00 179.01 178.98 1pnl h MET 225 N 0.00 0.00 -6.35 1.92 2.86 -1.60 -3.46 114.93 108.30 1pnl h MET 225 Ca -0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.09 1pnl h MET 225 Cb 0.43 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1pnl h MET 225 CO 0.02 0.00 0.93 -0.80 1.06 0.00 0.00 176.91 178.13 1pnl s ASN 226 N -6.08 6.76 0.18 1.22 -0.87 -0.73 -4.96 114.94 110.47 1pnl s ASN 226 Ca 0.05 2.19 -0.32 0.00 -1.57 0.00 0.00 52.86 53.22 1pnl s ASN 226 Cb 0.06 -2.55 -0.16 0.00 -0.02 0.00 0.00 41.25 38.58 1pnl s ASN 226 CO 0.64 -0.80 0.98 -2.65 -2.57 0.00 0.00 177.10 172.69 1pnl n PRO 227 N 5.90 0.80 -3.49 -0.60 -0.02 -1.26 -4.81 135.00 131.52 1pnl n PRO 227 Ca 0.15 0.28 -0.16 0.00 -2.02 0.00 0.00 63.50 61.75 1pnl n PRO 227 Cb 0.43 -1.65 -0.05 0.00 -0.02 0.00 0.00 33.50 32.21 1pnl n PRO 227 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1pnl s LYS 228 N -0.69 1.13 -0.04 -0.52 -2.85 -1.26 -1.23 119.74 114.28 1pnl s LYS 228 Ca 0.71 -0.01 -0.06 0.00 -1.00 0.00 0.00 55.97 55.61 1pnl s LYS 228 Cb -0.89 0.53 0.01 0.00 -2.06 0.00 0.00 37.83 35.41 1pnl s LYS 228 CO 0.55 -0.41 0.15 0.08 0.10 0.00 0.00 175.35 175.82 1pnl s VAL 229 N -2.09 0.03 -0.08 1.79 1.01 -0.51 -5.00 120.40 115.55 1pnl s VAL 229 Ca -0.07 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1pnl s VAL 229 Cb -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1pnl s VAL 229 CO 0.02 -0.15 -0.10 -0.47 0.00 0.00 0.00 175.10 174.40 1pnl s TYR 230 N -0.48 1.42 -1.07 5.22 5.04 -1.26 -1.24 117.35 124.97 1pnl s TYR 230 Ca -0.06 -0.58 -0.17 0.00 -2.44 0.00 0.00 57.07 53.82 1pnl s TYR 230 Cb -0.04 -1.09 -0.01 0.00 0.35 0.00 0.00 41.96 41.17 1pnl s TYR 230 CO 0.01 -0.35 0.77 0.09 -1.34 0.00 0.00 175.55 174.73 1pnl n ASN 231 N 4.19 -5.55 -4.74 4.32 3.02 0.78 -4.89 115.26 112.39 1pnl n ASN 231 Ca -0.20 -0.92 -0.38 0.00 -0.03 0.00 0.00 54.58 53.05 1pnl n ASN 231 Cb 0.51 -3.43 0.05 0.00 -0.61 0.00 0.00 39.78 36.31 1pnl n ASN 231 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1pnl s PRO 232 N -5.59 2.84 0.45 3.52 0.04 -1.26 -4.92 135.00 130.07 1pnl s PRO 232 Ca 0.39 2.15 0.15 0.00 0.04 0.00 0.00 61.00 63.73 1pnl s PRO 232 Cb -0.14 -2.04 1.08 0.00 0.04 0.00 0.00 34.50 33.44 1pnl s PRO 232 CO 0.85 -1.40 1.98 1.96 0.04 0.00 0.00 177.00 180.44 1pnl h GLN 233 N 0.99 0.33 0.00 4.56 4.20 -1.94 -2.54 115.11 120.72 1pnl h GLN 233 Ca -0.51 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.14 1pnl h GLN 233 Cb 1.32 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 1pnl h GLN 233 CO 0.55 0.22 -0.17 0.66 -0.67 0.00 0.00 178.83 179.42 1pnl h SER 234 N 0.34 0.00 0.00 1.46 4.64 -2.03 -3.47 113.55 114.50 1pnl h SER 234 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1pnl h SER 234 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1pnl h SER 234 CO -0.07 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1pnl n GLY 235 N -0.44 0.74 3.45 -0.77 0.00 -0.96 -4.89 105.19 102.32 1pnl n GLY 235 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1pnl n GLY 235 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pnl s TYR 236 N -2.58 -0.06 -0.09 1.61 -0.85 -1.26 -0.50 117.35 113.63 1pnl s TYR 236 Ca 0.00 -0.28 -0.01 0.00 -0.52 0.00 0.00 57.07 56.26 1pnl s TYR 236 Cb 0.00 0.30 0.03 0.00 0.38 0.00 0.00 41.96 42.67 1pnl s TYR 236 CO 0.00 -0.84 -0.01 0.42 -1.52 0.00 0.00 175.55 173.59 1pnl s ILE 237 N -3.87 0.52 0.04 -3.49 1.01 0.11 -4.86 121.20 110.65 1pnl s ILE 237 Ca 0.09 0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.81 1pnl s ILE 237 Cb 0.00 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 1pnl s ILE 237 CO -0.04 0.26 -0.18 0.00 0.00 0.00 0.00 174.94 174.98 1pnl s ALA 238 N 1.91 1.49 -0.17 9.38 0.00 -1.26 0.08 121.76 133.20 1pnl s ALA 238 Ca 0.05 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 1pnl s ALA 238 Cb -0.12 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.77 1pnl s ALA 238 CO -0.06 0.32 0.53 1.21 0.00 0.00 0.00 175.76 177.76 1pnl s ASN 239 N -1.11 -0.54 -0.32 0.00 3.84 -0.59 -5.01 114.94 111.21 1pnl s ASN 239 Ca 0.05 0.95 0.17 0.00 0.21 0.00 0.00 52.86 54.24 1pnl s ASN 239 Cb -0.08 0.96 0.46 0.00 -0.55 0.00 0.00 41.25 42.04 1pnl s ASN 239 CO 0.01 -0.26 1.18 1.87 -2.79 0.00 0.00 177.10 177.12 1pnl n TRP 240 N 2.44 -0.01 -2.15 0.43 -0.00 -1.26 -1.86 117.44 115.04 1pnl n TRP 240 Ca -0.15 -2.24 -0.09 0.00 -0.00 0.00 0.00 57.50 55.02 1pnl n TRP 240 Cb 0.56 0.36 -0.01 0.00 -0.00 0.00 0.00 31.31 32.22 1pnl n TRP 240 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1pnl n ASN 241 N -0.60 -3.21 -4.93 5.87 5.03 -1.23 -4.74 115.26 111.46 1pnl n ASN 241 Ca 0.01 -0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.22 1pnl n ASN 241 Cb 0.83 -2.46 0.06 0.00 -1.02 0.00 0.00 39.78 37.19 1pnl n ASN 241 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1pnl s ASN 242 N -2.59 4.92 0.28 6.41 4.22 -1.26 -4.98 114.94 121.94 1pnl s ASN 242 Ca 0.00 0.28 -0.30 0.00 -2.14 0.00 0.00 52.86 50.70 1pnl s ASN 242 Cb 0.00 -0.99 -0.11 0.00 1.28 0.00 0.00 41.25 41.43 1pnl s ASN 242 CO 0.00 -1.48 1.57 -0.55 -2.04 0.00 0.00 177.10 174.60 1pnl s SER 243 N -4.50 6.43 0.22 3.54 0.15 -1.26 -4.92 113.70 113.35 1pnl s SER 243 Ca 0.60 2.89 -0.06 0.00 0.70 0.00 0.00 55.95 60.07 1pnl s SER 243 Cb -0.10 -2.63 0.18 0.00 -1.71 0.00 0.00 66.02 61.76 1pnl s SER 243 CO 0.43 -0.87 1.72 -0.65 1.20 0.00 0.00 173.24 175.06 1pnl h PRO 244 N 4.95 1.01 -2.98 5.44 0.11 -1.92 -3.47 132.00 135.13 1pnl h PRO 244 Ca -0.47 -0.27 0.02 0.00 0.11 0.00 0.00 66.00 65.39 1pnl h PRO 244 Cb 1.22 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 32.12 1pnl h PRO 244 CO 0.80 0.94 0.22 -1.14 -0.21 0.00 0.00 178.00 178.61 1pnl s GLN 245 N -5.14 1.46 0.06 1.05 0.74 -1.26 -5.00 119.66 111.56 1pnl s GLN 245 Ca -0.11 -0.66 -0.33 0.00 0.05 0.00 0.00 55.36 54.31 1pnl s GLN 245 Cb 0.14 0.59 -0.12 0.00 1.10 0.00 0.00 33.01 34.72 1pnl s GLN 245 CO 0.84 -0.65 1.75 1.17 -0.55 0.00 0.00 175.29 177.84 1pnl n LYS 246 N -0.41 2.29 -1.08 1.67 4.81 -1.26 -1.60 118.16 122.58 1pnl n LYS 246 Ca -0.12 0.83 -0.03 0.00 -0.87 0.00 0.00 58.31 58.13 1pnl n LYS 246 Cb 0.63 -2.66 -0.01 0.00 0.02 0.00 0.00 35.03 33.01 1pnl n LYS 246 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1pnl n ASP 247 N 5.12 -3.62 -4.69 3.14 8.00 -1.26 -5.02 116.55 118.22 1pnl n ASP 247 Ca 0.19 0.07 -0.41 0.00 0.71 0.00 0.00 54.79 55.36 1pnl n ASP 247 Cb 0.31 -1.37 -0.04 0.00 -0.02 0.00 0.00 41.12 39.99 1pnl n ASP 247 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1pnl s TYR 248 N -2.01 3.49 0.11 1.24 6.14 -0.63 -5.03 117.35 120.66 1pnl s TYR 248 Ca 0.00 1.27 -0.30 0.00 0.64 0.00 0.00 57.07 58.68 1pnl s TYR 248 Cb 0.00 -2.93 -0.06 0.00 0.42 0.00 0.00 41.96 39.38 1pnl s TYR 248 CO 0.00 -0.10 1.13 -1.25 0.64 0.00 0.00 175.55 175.98 1pnl s PRO 249 N 1.55 4.51 0.83 4.97 0.04 -1.26 -4.95 135.00 140.69 1pnl s PRO 249 Ca 0.39 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 63.03 1pnl s PRO 249 Cb -0.17 -3.33 0.13 0.00 0.04 0.00 0.00 34.50 31.17 1pnl s PRO 249 CO 0.16 -0.09 1.17 0.00 0.04 0.00 0.00 177.00 178.27 1pnl s ALA 250 N 0.49 2.78 0.70 8.56 0.00 -1.26 -4.16 121.76 128.87 1pnl s ALA 250 Ca 0.54 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 1pnl s ALA 250 Cb -0.29 -2.64 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 1pnl s ALA 250 CO 0.32 -1.85 -0.00 0.45 0.00 0.00 0.00 175.76 174.67 1pnl n SER 251 N -3.32 -3.15 -0.03 0.00 2.88 0.54 -4.17 113.62 106.37 1pnl n SER 251 Ca 0.12 0.53 0.14 0.00 -1.33 0.00 0.00 58.87 58.33 1pnl n SER 251 Cb 0.60 -0.98 0.84 0.00 -0.75 0.00 0.00 64.21 63.92 1pnl n SER 251 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1pnl n ASP 252 N 1.55 0.08 -4.66 -3.46 5.68 -1.26 -4.89 116.55 109.59 1pnl n ASP 252 Ca 0.07 -1.12 -0.47 0.00 -0.50 0.00 0.00 54.79 52.77 1pnl n ASP 252 Cb 0.50 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 1pnl n ASP 252 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1pnl n LEU 253 N -0.89 2.94 -0.29 -2.12 4.77 -1.26 -4.86 117.00 115.29 1pnl n LEU 253 Ca 0.22 1.08 -0.02 0.00 -0.03 0.00 0.00 56.01 57.26 1pnl n LEU 253 Cb 0.11 -1.39 0.16 0.00 -2.33 0.00 0.00 43.42 39.97 1pnl n LEU 253 CO 0.16 -0.36 1.22 2.19 -1.33 0.00 0.00 177.39 179.27 1pnl h PHE 254 N 6.06 1.12 0.00 -1.77 -5.15 -1.99 -0.98 116.94 114.23 1pnl h PHE 254 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1pnl h PHE 254 Cb 1.27 -0.37 0.00 0.00 0.22 0.00 0.00 35.95 37.07 1pnl h PHE 254 CO 0.65 0.74 0.00 0.00 -2.00 0.00 0.00 178.31 177.70 1pnl n ALA 255 N -2.41 2.37 -3.64 12.09 0.00 -1.26 -4.75 120.51 122.91 1pnl n ALA 255 Ca 0.09 -0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 1pnl n ALA 255 Cb 0.06 -1.37 -0.16 0.00 0.00 0.00 0.00 19.45 17.98 1pnl n ALA 255 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1pnl s PHE 256 N -2.00 2.73 0.02 0.00 2.19 -0.37 -4.64 117.98 115.90 1pnl s PHE 256 Ca 0.34 -1.27 0.00 0.00 0.33 0.00 0.00 56.93 56.34 1pnl s PHE 256 Cb 0.16 -1.86 -0.02 0.00 -1.31 0.00 0.00 43.02 39.99 1pnl s PHE 256 CO 0.27 -0.59 -0.03 -0.51 1.83 0.00 0.00 175.22 176.19 1pnl s LEU 257 N 0.88 2.24 -0.34 6.12 1.43 -1.26 -4.71 118.68 123.04 1pnl s LEU 257 Ca -0.05 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 1pnl s LEU 257 Cb -0.15 0.09 0.07 0.00 0.03 0.00 0.00 46.19 46.23 1pnl s LEU 257 CO -0.03 -0.29 0.07 0.26 0.23 0.00 0.00 176.35 176.59 1pnl s TRP 258 N -1.44 3.40 0.00 0.29 0.51 -1.26 -5.06 118.94 115.38 1pnl s TRP 258 Ca -0.16 -2.10 0.00 0.00 -2.12 0.00 0.00 56.10 51.73 1pnl s TRP 258 Cb -0.10 -2.52 0.00 0.00 -0.81 0.00 0.00 33.47 30.04 1pnl s TRP 258 CO -0.01 -0.86 0.00 0.41 -0.51 0.00 0.00 176.95 175.98 1pnl n GLY 259 N 4.60 4.08 0.26 0.98 0.00 -1.26 -5.06 105.19 108.79 1pnl n GLY 259 Ca -0.09 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.27 1pnl n GLY 259 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pnl h GLY 260 N 0.00 0.00 -7.16 -0.02 0.00 -1.98 -3.37 103.07 90.54 1pnl h GLY 260 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 1pnl h GLY 260 CO 0.00 0.00 0.24 0.00 0.00 0.00 0.00 176.54 176.78 1pnl s ALA 261 N -4.37 3.30 -0.05 3.60 0.00 -1.26 -5.04 121.76 117.94 1pnl s ALA 261 Ca -0.03 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 1pnl s ALA 261 Cb 0.14 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1pnl s ALA 261 CO 0.61 -2.05 0.12 0.34 0.00 0.00 0.00 175.76 174.78 1pnl s ASP 262 N 2.51 -0.10 0.42 0.00 -1.08 -1.26 -4.93 116.67 112.22 1pnl s ASP 262 Ca 0.23 0.25 0.29 0.00 -0.52 0.00 0.00 52.55 52.80 1pnl s ASP 262 Cb -0.15 0.19 1.36 0.00 -1.46 0.00 0.00 42.92 42.86 1pnl s ASP 262 CO 0.17 -0.09 1.88 0.08 0.52 0.00 0.00 175.17 177.73 1pnl h ARG 263 N 6.60 0.00 0.00 4.34 0.11 -1.94 -2.53 114.38 120.96 1pnl h ARG 263 Ca -0.34 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.72 1pnl h ARG 263 Cb 1.17 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.25 1pnl h ARG 263 CO 0.43 0.00 -0.09 -0.24 0.10 0.00 0.00 179.97 180.17 1pnl h VAL 264 N 0.00 0.90 -0.93 0.08 3.04 -1.96 -2.60 116.25 114.78 1pnl h VAL 264 Ca 0.00 -0.33 0.20 0.00 -1.01 0.00 0.00 66.70 65.57 1pnl h VAL 264 Cb 0.28 1.19 -0.08 0.00 -2.01 0.00 0.00 31.29 30.67 1pnl h VAL 264 CO 0.00 0.09 0.61 0.74 -1.01 0.00 0.00 177.57 178.00 1pnl h THR 265 N 0.00 0.68 -0.63 3.17 2.02 -1.88 0.07 112.91 116.34 1pnl h THR 265 Ca -0.00 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.09 1pnl h THR 265 Cb 0.18 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.70 1pnl h THR 265 CO 0.01 0.09 0.42 -0.33 0.37 0.00 0.00 175.52 176.08 1pnl h GLU 266 N 0.48 0.57 0.01 6.66 4.39 -1.69 -0.10 114.58 124.89 1pnl h GLU 266 Ca 0.50 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 1pnl h GLU 266 Cb 1.14 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1pnl h GLU 266 CO -0.22 0.38 -0.00 0.82 -1.16 0.00 0.00 179.01 178.82 1pnl h ILE 267 N 0.59 1.59 -0.35 3.13 2.04 -1.16 -3.29 117.51 120.05 1pnl h ILE 267 Ca 0.28 -1.86 0.07 0.00 1.00 0.00 0.00 64.86 64.35 1pnl h ILE 267 Cb 0.34 2.83 -0.07 0.00 -0.74 0.00 0.00 36.82 39.18 1pnl h ILE 267 CO -0.09 0.48 -0.11 0.44 0.00 0.00 0.00 178.15 178.87 1pnl h ASP 268 N -0.82 -0.39 -0.64 1.72 3.32 -1.16 -0.46 116.42 118.00 1pnl h ASP 268 Ca -0.00 0.11 0.13 0.00 0.02 0.00 0.00 57.03 57.29 1pnl h ASP 268 Cb 0.79 0.24 -0.12 0.00 0.22 0.00 0.00 39.33 40.45 1pnl h ASP 268 CO 0.00 -0.14 -0.18 0.03 -1.72 0.00 0.00 179.24 177.23 1pnl h ARG 269 N -0.03 -0.02 -0.53 3.56 3.08 -1.13 0.93 114.38 120.25 1pnl h ARG 269 Ca 0.17 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 1pnl h ARG 269 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1pnl h ARG 269 CO -0.37 -0.01 -0.09 -0.07 -1.07 0.00 0.00 179.97 178.36 1pnl h LEU 270 N -0.02 0.96 -0.36 3.04 3.38 -1.44 -2.58 115.31 118.29 1pnl h LEU 270 Ca 0.31 -0.30 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1pnl h LEU 270 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1pnl h LEU 270 CO -0.67 1.07 -0.80 -0.07 0.09 0.00 0.00 178.44 178.05 1pnl h LEU 271 N 0.87 0.36 -0.47 1.67 3.38 0.05 -3.17 115.31 117.98 1pnl h LEU 271 Ca 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1pnl h LEU 271 Cb 0.63 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1pnl h LEU 271 CO 0.04 1.02 -0.07 -0.33 0.09 0.00 0.00 178.44 179.19 1pnl h GLU 272 N 0.18 0.00 -0.57 1.13 5.08 -0.84 -3.33 114.58 116.23 1pnl h GLU 272 Ca -0.04 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1pnl h GLU 272 Cb 1.40 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.58 1pnl h GLU 272 CO 0.13 0.07 0.20 1.96 -1.00 0.00 0.00 179.01 180.36 1pnl h GLN 273 N 0.00 0.36 -5.65 2.33 4.20 -1.43 -3.41 115.11 111.51 1pnl h GLN 273 Ca -0.00 -0.02 -0.66 0.00 0.06 0.00 0.00 58.65 58.03 1pnl h GLN 273 Cb 0.89 -0.08 -0.20 0.00 0.30 0.00 0.00 27.48 28.39 1pnl h GLN 273 CO 0.01 0.24 -0.67 0.15 -0.67 0.00 0.00 178.83 177.88 1pnl s LYS 274 N -6.11 3.29 0.24 1.46 1.02 -1.25 -5.03 119.74 113.37 1pnl s LYS 274 Ca -0.13 -0.52 -0.07 0.00 0.02 0.00 0.00 55.97 55.28 1pnl s LYS 274 Cb 0.16 -2.79 0.24 0.00 -0.52 0.00 0.00 37.83 34.93 1pnl s LYS 274 CO 0.74 0.43 1.91 -1.00 -0.92 0.00 0.00 175.35 176.51 1pnl h PRO 275 N 6.05 1.29 -4.87 -1.68 0.13 -1.86 -3.43 132.00 127.62 1pnl h PRO 275 Ca -0.39 -0.09 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 1pnl h PRO 275 Cb 1.19 -0.28 -0.21 0.00 0.13 0.00 0.00 31.00 31.82 1pnl h PRO 275 CO 0.58 0.87 -0.75 1.03 -0.23 0.00 0.00 178.00 179.50 1pnl s ARG 276 N -6.07 0.65 0.01 0.86 0.52 -1.26 -4.63 118.95 109.03 1pnl s ARG 276 Ca -0.13 -0.85 0.06 0.00 -0.52 0.00 0.00 55.73 54.29 1pnl s ARG 276 Cb 0.18 -0.50 -0.02 0.00 0.52 0.00 0.00 34.95 35.13 1pnl s ARG 276 CO 0.82 0.10 -0.19 -0.51 0.02 0.00 0.00 175.30 175.54 1pnl s LEU 277 N -1.69 2.10 0.63 2.53 1.02 0.48 -4.87 118.68 118.88 1pnl s LEU 277 Ca -0.06 -0.42 -0.01 0.00 0.02 0.00 0.00 54.13 53.65 1pnl s LEU 277 Cb -0.10 -0.92 0.06 0.00 0.02 0.00 0.00 46.19 45.25 1pnl s LEU 277 CO 0.01 0.18 0.89 0.42 0.02 0.00 0.00 176.35 177.87 1pnl s THR 278 N -0.62 2.44 0.20 5.49 -4.23 -1.26 0.06 115.64 117.72 1pnl s THR 278 Ca 0.07 -0.55 -0.09 0.00 -1.18 0.00 0.00 61.69 59.94 1pnl s THR 278 Cb -0.08 -2.90 0.11 0.00 1.34 0.00 0.00 72.50 70.97 1pnl s THR 278 CO 0.00 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.79 1pnl h ALA 279 N -0.25 0.92 -0.54 3.99 0.00 -1.96 0.16 119.26 121.58 1pnl h ALA 279 Ca -0.41 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 1pnl h ALA 279 Cb 1.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1pnl h ALA 279 CO 0.51 0.65 0.02 -0.44 0.00 0.00 0.00 179.25 179.99 1pnl h ASP 280 N 1.06 0.88 -0.33 0.00 3.32 -1.97 0.47 116.42 119.85 1pnl h ASP 280 Ca 0.22 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1pnl h ASP 280 Cb 0.38 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1pnl h ASP 280 CO 0.00 0.93 -0.14 1.56 -1.72 0.00 0.00 179.24 179.87 1pnl h GLN 281 N 0.84 0.68 -0.40 3.56 4.20 -1.88 -0.06 115.11 122.05 1pnl h GLN 281 Ca 0.16 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1pnl h GLN 281 Cb 0.48 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1pnl h GLN 281 CO 0.02 0.88 -0.01 0.00 -0.67 0.00 0.00 178.83 179.05 1pnl h ALA 282 N 0.78 1.23 -0.38 3.87 0.00 -0.34 -2.43 119.26 121.99 1pnl h ALA 282 Ca 0.07 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1pnl h ALA 282 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1pnl h ALA 282 CO 0.05 0.51 -0.33 2.35 0.00 0.00 0.00 179.25 181.82 1pnl h TRP 283 N 0.62 1.07 -0.13 0.00 2.91 -0.77 -3.21 115.95 116.43 1pnl h TRP 283 Ca 0.13 -0.31 0.04 0.00 1.13 0.00 0.00 58.89 59.87 1pnl h TRP 283 Cb 0.40 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 1pnl h TRP 283 CO 0.02 1.12 0.10 0.22 -1.03 0.00 0.00 178.44 178.87 1pnl h ASP 284 N 0.72 0.00 -0.12 2.65 3.58 -0.51 -1.13 116.42 121.61 1pnl h ASP 284 Ca 0.07 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.55 1pnl h ASP 284 Cb 0.92 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 1pnl h ASP 284 CO 0.08 0.00 0.14 0.58 -2.88 0.00 0.00 179.24 177.16 1pnl h VAL 285 N 0.00 0.50 -0.10 2.25 2.07 -1.51 -0.35 116.25 119.10 1pnl h VAL 285 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1pnl h VAL 285 Cb 0.27 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1pnl h VAL 285 CO -0.00 0.00 0.01 0.40 0.02 0.00 0.00 177.57 178.00 1pnl h ILE 286 N 0.00 1.24 -0.25 4.57 2.04 -1.40 -1.97 117.51 121.74 1pnl h ILE 286 Ca 0.06 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.19 1pnl h ILE 286 Cb 0.33 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1pnl h ILE 286 CO -0.00 0.21 0.11 -0.09 0.00 0.00 0.00 178.15 178.38 1pnl h ARG 287 N -0.08 0.23 0.35 2.37 2.43 -1.21 -1.11 114.38 117.37 1pnl h ARG 287 Ca 0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1pnl h ARG 287 Cb 0.33 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1pnl h ARG 287 CO 0.00 0.15 -0.17 1.96 -1.51 0.00 0.00 179.97 180.41 1pnl h GLN 288 N 0.24 -0.45 0.00 0.20 4.20 -1.45 -3.03 115.11 114.81 1pnl h GLN 288 Ca 0.11 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1pnl h GLN 288 Cb 0.05 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1pnl h GLN 288 CO -0.09 -0.23 -0.14 1.79 -0.67 0.00 0.00 178.83 179.49 1pnl h THR 289 N -0.59 0.77 -0.95 -0.54 1.35 -1.39 -2.17 112.91 109.40 1pnl h THR 289 Ca -0.05 -0.55 0.02 0.00 -0.55 0.00 0.00 66.41 65.28 1pnl h THR 289 Cb 0.43 1.33 -0.05 0.00 -1.73 0.00 0.00 68.15 68.13 1pnl h THR 289 CO 0.08 0.14 0.63 0.28 -0.25 0.00 0.00 175.52 176.39 1pnl h SER 290 N 0.00 1.07 0.07 5.36 0.02 -1.08 -3.27 113.55 115.72 1pnl h SER 290 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1pnl h SER 290 Cb 0.32 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1pnl h SER 290 CO 0.02 0.76 -0.72 0.54 -1.14 0.00 0.00 176.83 176.29 1pnl n ARG 291 N -4.41 0.44 -2.41 3.45 1.74 -0.96 -1.14 116.66 113.37 1pnl n ARG 291 Ca 0.12 -0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 56.42 1pnl n ARG 291 Cb 0.04 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 1pnl n ARG 291 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1pnl s GLN 292 N -2.80 4.32 0.12 5.56 2.00 -0.86 -0.56 119.66 127.45 1pnl s GLN 292 Ca 0.13 1.72 -0.31 0.00 -2.00 0.00 0.00 55.36 54.90 1pnl s GLN 292 Cb 0.17 -3.60 -0.08 0.00 0.80 0.00 0.00 33.01 30.30 1pnl s GLN 292 CO 0.73 -0.51 1.42 0.34 -0.50 0.00 0.00 175.29 176.77 1pnl s ASP 293 N 1.64 6.78 0.15 6.67 -1.08 0.73 -4.93 116.67 126.63 1pnl s ASP 293 Ca 0.57 2.38 0.25 0.00 -0.52 0.00 0.00 52.55 55.23 1pnl s ASP 293 Cb -0.25 -2.59 0.58 0.00 -1.46 0.00 0.00 42.92 39.20 1pnl s ASP 293 CO 0.21 -0.69 1.54 0.18 0.52 0.00 0.00 175.17 176.93 1pnl n LEU 294 N 3.98 0.71 -0.02 -1.34 4.77 -1.26 -4.12 117.00 119.73 1pnl n LEU 294 Ca 0.12 0.37 0.01 0.00 -0.03 0.00 0.00 56.01 56.48 1pnl n LEU 294 Cb 0.42 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.12 1pnl n LEU 294 CO 0.59 -0.10 -0.67 0.59 -1.33 0.00 0.00 177.39 176.47 1pnl n ASN 295 N -2.12 0.34 -0.13 -1.43 3.02 -1.26 -4.57 115.26 109.10 1pnl n ASN 295 Ca 0.04 0.15 -0.12 0.00 -0.03 0.00 0.00 54.58 54.62 1pnl n ASN 295 Cb 0.43 1.00 -0.08 0.00 -0.61 0.00 0.00 39.78 40.51 1pnl n ASN 295 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1pnl h LEU 296 N 0.00 -1.70 -0.71 3.41 5.85 -1.98 -2.22 115.31 117.96 1pnl h LEU 296 Ca -0.22 0.24 0.12 0.00 0.84 0.00 0.00 57.88 58.86 1pnl h LEU 296 Cb 1.56 0.71 -0.09 0.00 0.37 0.00 0.00 40.66 43.22 1pnl h LEU 296 CO 0.02 -0.39 0.28 -0.09 -0.34 0.00 0.00 178.44 177.92 1pnl h ARG 297 N -0.37 0.43 -0.32 1.25 2.43 -1.83 -1.03 114.38 114.94 1pnl h ARG 297 Ca 0.10 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1pnl h ARG 297 Cb 0.60 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1pnl h ARG 297 CO -0.59 0.28 -0.25 -0.07 -1.51 0.00 0.00 179.97 177.83 1pnl h LEU 298 N 0.44 0.77 -1.40 3.80 3.38 -1.66 -3.38 115.31 117.27 1pnl h LEU 298 Ca 0.38 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1pnl h LEU 298 Cb 0.54 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1pnl h LEU 298 CO -0.37 1.06 0.00 0.49 0.09 0.00 0.00 178.44 179.71 1pnl n PHE 299 N -4.27 0.01 0.07 1.13 3.72 -1.01 -4.71 117.46 112.40 1pnl n PHE 299 Ca -0.03 -0.01 -0.13 0.00 -0.05 0.00 0.00 57.45 57.23 1pnl n PHE 299 Cb 0.45 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.92 1pnl n PHE 299 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1pnl h LEU 300 N 1.93 -0.10 -0.84 4.37 5.85 -1.36 -2.36 115.31 122.80 1pnl h LEU 300 Ca 0.00 -0.09 0.18 0.00 0.84 0.00 0.00 57.88 58.81 1pnl h LEU 300 Cb 0.41 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.36 1pnl h LEU 300 CO 0.00 0.02 0.36 -0.65 -0.34 0.00 0.00 178.44 177.83 1pnl h PRO 301 N -0.23 0.44 -0.53 5.25 0.11 -1.84 -1.00 132.00 134.20 1pnl h PRO 301 Ca -0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1pnl h PRO 301 Cb 0.19 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 1pnl h PRO 301 CO 0.02 0.29 0.34 1.15 -0.21 0.00 0.00 178.00 179.59 1pnl h THR 302 N 0.45 1.15 -0.10 -1.15 2.02 -1.84 -1.39 112.91 112.05 1pnl h THR 302 Ca 0.49 -0.29 -0.17 0.00 0.77 0.00 0.00 66.41 67.21 1pnl h THR 302 Cb 0.82 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1pnl h THR 302 CO -0.46 0.14 -0.65 -0.07 0.37 0.00 0.00 175.52 174.85 1pnl h LEU 303 N 0.71 0.45 0.09 2.58 3.38 -0.84 -2.57 115.31 119.11 1pnl h LEU 303 Ca 0.19 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pnl h LEU 303 Cb -0.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1pnl h LEU 303 CO -0.04 0.98 -0.04 1.56 0.09 0.00 0.00 178.44 180.99 1pnl h GLN 304 N 0.28 -0.11 -0.44 1.13 4.20 -1.08 -2.85 115.11 116.23 1pnl h GLN 304 Ca -0.01 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1pnl h GLN 304 Cb 1.20 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 1pnl h GLN 304 CO 0.11 0.27 0.27 0.00 -0.67 0.00 0.00 178.83 178.81 1pnl h ALA 305 N 0.35 0.56 0.00 3.87 0.00 -1.31 -2.40 119.26 120.33 1pnl h ALA 305 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1pnl h ALA 305 Cb 0.43 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pnl h ALA 305 CO 0.02 -0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.07 1pnl h ALA 306 N 1.18 1.47 -0.29 0.00 0.00 -1.45 -3.18 119.26 117.00 1pnl h ALA 306 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pnl h ALA 306 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pnl h ALA 306 CO -0.06 0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.64 1pnl n THR 307 N -3.97 0.58 -0.34 0.00 -2.24 -1.08 -4.65 114.28 102.58 1pnl n THR 307 Ca -0.02 -0.79 -0.02 0.00 -2.27 0.00 0.00 64.05 60.95 1pnl n THR 307 Cb 0.25 0.84 0.13 0.00 -2.10 0.00 0.00 70.33 69.45 1pnl n THR 307 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1pnl h SER 308 N 2.88 1.10 -0.47 3.42 4.64 -1.42 -2.77 113.55 120.93 1pnl h SER 308 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1pnl h SER 308 Cb 0.74 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1pnl h SER 308 CO 0.00 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 177.39 1pnl n GLY 309 N -1.33 1.33 3.90 -0.77 0.00 -1.26 -4.93 105.19 102.13 1pnl n GLY 309 Ca 0.11 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 1pnl n GLY 309 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pnl s LEU 310 N -1.06 3.83 0.44 0.99 1.43 -1.05 -5.09 118.68 118.18 1pnl s LEU 310 Ca 0.32 0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 54.15 1pnl s LEU 310 Cb 0.17 -3.81 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 1pnl s LEU 310 CO 0.21 -0.40 0.93 0.42 0.23 0.00 0.00 176.35 177.73 1pnl s THR 311 N -2.42 4.48 0.39 5.49 -4.23 -1.26 -4.99 115.64 113.10 1pnl s THR 311 Ca 0.47 1.32 0.07 0.00 -1.18 0.00 0.00 61.69 62.38 1pnl s THR 311 Cb -0.10 -3.64 0.28 0.00 1.34 0.00 0.00 72.50 70.38 1pnl s THR 311 CO 0.36 -0.41 2.01 -0.61 -0.54 0.00 0.00 174.62 175.43 1pnl h GLN 312 N 1.67 0.61 0.00 3.99 4.15 -1.98 -1.25 115.11 122.30 1pnl h GLN 312 Ca -0.48 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1pnl h GLN 312 Cb 1.18 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1pnl h GLN 312 CO 0.62 0.41 0.00 -1.13 -1.93 0.00 0.00 178.83 176.79 1pnl n SER 313 N -4.47 0.00 -4.64 -0.69 3.41 -1.26 -4.68 113.62 101.29 1pnl n SER 313 Ca 0.07 0.28 -0.43 0.00 -0.26 0.00 0.00 58.87 58.53 1pnl n SER 313 Cb 0.16 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 1pnl n SER 313 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pnl s ASP 314 N -2.84 6.90 0.38 4.04 -1.08 -0.47 -4.95 116.67 118.65 1pnl s ASP 314 Ca 0.17 1.14 0.06 0.00 -0.52 0.00 0.00 52.55 53.39 1pnl s ASP 314 Cb 0.17 -2.54 0.77 0.00 -1.46 0.00 0.00 42.92 39.85 1pnl s ASP 314 CO 0.43 -0.89 2.01 -0.65 0.52 0.00 0.00 175.17 176.59 1pnl h PRO 315 N 8.25 0.67 -0.18 4.34 0.11 -1.85 -0.98 132.00 142.37 1pnl h PRO 315 Ca -0.22 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 1pnl h PRO 315 Cb 1.07 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1pnl h PRO 315 CO 1.03 0.45 -0.12 0.00 -0.21 0.00 0.00 178.00 179.14 1pnl h ARG 316 N 0.70 0.28 -0.00 1.05 3.08 -1.92 -2.13 114.38 115.43 1pnl h ARG 316 Ca 0.23 -0.07 -0.24 0.00 0.07 0.00 0.00 59.98 59.97 1pnl h ARG 316 Cb 0.06 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.08 1pnl h ARG 316 CO -0.06 0.41 -0.98 -0.09 -1.07 0.00 0.00 179.97 178.18 1pnl h ARG 317 N 0.27 0.54 -0.14 0.04 2.43 -1.49 -3.20 114.38 112.83 1pnl h ARG 317 Ca 0.06 -0.57 0.03 0.00 -0.81 0.00 0.00 59.98 58.68 1pnl h ARG 317 Cb 0.38 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1pnl h ARG 317 CO 0.02 1.20 -0.02 1.96 -1.51 0.00 0.00 179.97 181.62 1pnl h GLN 318 N 0.30 0.02 -0.59 0.20 4.20 -0.75 -0.86 115.11 117.64 1pnl h GLN 318 Ca -0.10 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.71 1pnl h GLN 318 Cb 1.62 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 29.32 1pnl h GLN 318 CO 0.18 0.02 0.14 -0.07 -0.67 0.00 0.00 178.83 178.43 1pnl h LEU 319 N 0.03 0.05 -0.92 1.46 3.38 -1.51 -0.46 115.31 117.33 1pnl h LEU 319 Ca 0.07 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1pnl h LEU 319 Cb 0.09 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1pnl h LEU 319 CO -0.13 0.04 -0.41 0.58 0.09 0.00 0.00 178.44 178.60 1pnl h VAL 320 N 0.28 1.31 -0.02 1.22 2.07 -1.47 -2.89 116.25 116.75 1pnl h VAL 320 Ca 0.30 -1.53 -0.13 0.00 0.82 0.00 0.00 66.70 66.17 1pnl h VAL 320 Cb 0.43 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1pnl h VAL 320 CO -0.37 0.46 -0.58 -0.33 0.02 0.00 0.00 177.57 176.77 1pnl h GLU 321 N 0.22 0.07 -0.09 1.57 5.08 0.24 -0.79 114.58 120.88 1pnl h GLU 321 Ca 0.02 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1pnl h GLU 321 Cb 0.83 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1pnl h GLU 321 CO 0.07 0.63 -0.03 1.15 -1.00 0.00 0.00 179.01 179.83 1pnl h THR 322 N 0.05 0.90 -0.53 1.13 2.02 -0.94 -2.32 112.91 113.21 1pnl h THR 322 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1pnl h THR 322 Cb 1.04 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1pnl h THR 322 CO 0.08 0.00 0.14 -0.07 0.37 0.00 0.00 175.52 176.04 1pnl h LEU 323 N -0.01 0.75 -1.07 2.58 3.38 -1.43 -2.50 115.31 117.02 1pnl h LEU 323 Ca 0.05 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1pnl h LEU 323 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1pnl h LEU 323 CO -0.10 0.73 -0.25 0.74 0.09 0.00 0.00 178.44 179.65 1pnl h THR 324 N 0.78 1.25 0.00 0.22 2.02 -0.90 -2.75 112.91 113.53 1pnl h THR 324 Ca 0.17 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1pnl h THR 324 Cb 0.27 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1pnl h THR 324 CO -0.00 0.37 0.00 0.03 0.37 0.00 0.00 175.52 176.29 1pnl h ARG 325 N 0.32 0.00 -6.08 6.66 3.08 -0.98 -3.46 114.38 113.92 1pnl h ARG 325 Ca 0.05 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.50 1pnl h ARG 325 Cb 0.62 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 1pnl h ARG 325 CO 0.04 0.00 -0.21 -0.46 -1.07 0.00 0.00 179.97 178.28 1pnl s TRP 326 N -3.35 3.66 -1.56 3.04 -0.00 -1.04 -5.02 118.94 114.68 1pnl s TRP 326 Ca 0.05 0.93 0.26 0.00 -0.00 0.00 0.00 56.10 57.34 1pnl s TRP 326 Cb 0.09 -2.25 0.68 0.00 -0.00 0.00 0.00 33.47 31.99 1pnl s TRP 326 CO 0.54 0.57 1.52 -0.40 -0.00 0.00 0.00 176.95 179.19 1pnl n ASP 327 N 1.36 0.89 0.00 5.86 5.68 -1.26 -4.96 116.55 124.12 1pnl n ASP 327 Ca -0.11 -0.73 0.00 0.00 -0.50 0.00 0.00 54.79 53.45 1pnl n ASP 327 Cb 0.52 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.68 1pnl n ASP 327 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pnl n GLY 328 N 1.38 1.09 3.59 6.12 0.00 -1.26 -4.93 105.19 111.18 1pnl n GLY 328 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1pnl n GLY 328 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pnl s ILE 329 N -3.30 4.78 0.10 -0.61 -1.09 -1.26 -0.19 121.20 119.63 1pnl s ILE 329 Ca 0.00 0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 59.01 1pnl s ILE 329 Cb 0.00 -4.17 -0.06 0.00 -1.58 0.00 0.00 42.46 36.66 1pnl s ILE 329 CO 0.00 -0.37 0.93 0.20 -1.23 0.00 0.00 174.94 174.47 1pnl s ASN 330 N 1.79 7.44 -0.01 3.58 0.01 0.28 -4.97 114.94 123.05 1pnl s ASN 330 Ca 0.30 1.73 0.03 0.00 -0.71 0.00 0.00 52.86 54.20 1pnl s ASN 330 Cb -0.14 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 38.95 1pnl s ASN 330 CO 0.16 -0.05 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.84 1pnl s LEU 331 N 0.01 1.97 0.48 0.60 1.43 -1.26 -4.83 118.68 117.08 1pnl s LEU 331 Ca 0.45 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.20 1pnl s LEU 331 Cb -0.23 -0.47 -0.09 0.00 0.03 0.00 0.00 46.19 45.43 1pnl s LEU 331 CO 0.29 0.10 0.98 -0.76 0.23 0.00 0.00 176.35 177.18 1pnl s LEU 332 N -0.13 3.79 0.88 1.79 1.43 -1.26 -1.48 118.68 123.69 1pnl s LEU 332 Ca 0.02 1.68 -0.13 0.00 -1.03 0.00 0.00 54.13 54.67 1pnl s LEU 332 Cb -0.04 -4.53 0.13 0.00 0.03 0.00 0.00 46.19 41.77 1pnl s LEU 332 CO -0.00 -0.54 1.21 0.20 0.23 0.00 0.00 176.35 177.45 1pnl s ASN 333 N -2.52 3.88 0.60 2.29 0.01 0.51 -4.75 114.94 114.95 1pnl s ASN 333 Ca 0.62 0.66 0.30 0.00 -0.71 0.00 0.00 52.86 53.72 1pnl s ASN 333 Cb -0.11 -1.03 1.72 0.00 0.41 0.00 0.00 41.25 42.25 1pnl s ASN 333 CO 0.22 -2.29 2.13 0.44 -1.51 0.00 0.00 177.10 176.09 1pnl h ASP 334 N -1.33 0.00 0.70 -1.22 3.32 -1.97 -2.45 116.42 113.47 1pnl h ASP 334 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1pnl h ASP 334 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1pnl h ASP 334 CO 0.57 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.19 1pnl n ASP 335 N -3.74 0.07 -1.64 6.45 5.68 -1.26 -4.93 116.55 117.18 1pnl n ASP 335 Ca 0.00 0.51 -0.19 0.00 -0.50 0.00 0.00 54.79 54.62 1pnl n ASP 335 Cb 0.27 -0.53 -0.06 0.00 -1.14 0.00 0.00 41.12 39.67 1pnl n ASP 335 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pnl n GLY 336 N 0.51 1.19 0.00 6.12 0.00 -0.92 -4.79 105.19 107.30 1pnl n GLY 336 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1pnl n GLY 336 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pnl n LYS 337 N -2.55 2.76 -4.30 1.61 2.85 -1.26 -4.90 118.16 112.37 1pnl n LYS 337 Ca -0.20 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 56.86 1pnl n LYS 337 Cb 0.63 -0.23 -0.11 0.00 -0.65 0.00 0.00 35.03 34.67 1pnl n LYS 337 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1pnl s THR 338 N 0.00 1.66 0.37 0.58 -4.23 -1.26 -1.81 115.64 110.95 1pnl s THR 338 Ca 0.00 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 58.52 1pnl s THR 338 Cb 0.00 -1.74 -0.08 0.00 1.34 0.00 0.00 72.50 72.02 1pnl s THR 338 CO 0.00 -0.34 0.78 0.26 -0.54 0.00 0.00 174.62 174.77 1pnl s TRP 339 N -2.07 3.41 0.19 3.99 0.51 0.11 -0.36 118.94 124.73 1pnl s TRP 339 Ca 0.13 1.19 -0.08 0.00 -2.12 0.00 0.00 56.10 55.22 1pnl s TRP 339 Cb -0.05 -2.53 0.10 0.00 -0.81 0.00 0.00 33.47 30.18 1pnl s TRP 339 CO 0.05 -0.03 1.68 1.96 -0.51 0.00 0.00 176.95 180.10 1pnl h GLN 340 N 1.75 1.09 -6.77 4.98 4.20 -1.55 -3.38 115.11 115.43 1pnl h GLN 340 Ca -0.48 -0.31 -0.68 0.00 0.06 0.00 0.00 58.65 57.24 1pnl h GLN 340 Cb 1.18 -0.12 -0.24 0.00 0.30 0.00 0.00 27.48 28.60 1pnl h GLN 340 CO 0.64 1.02 -0.87 -0.65 -0.67 0.00 0.00 178.83 178.30 1pnl s GLN 341 N -5.13 1.54 0.00 1.46 -1.52 -1.26 -5.02 119.66 109.73 1pnl s GLN 341 Ca -0.12 -1.23 0.19 0.00 -1.95 0.00 0.00 55.36 52.25 1pnl s GLN 341 Cb 0.14 -1.89 0.89 0.00 -0.22 0.00 0.00 33.01 31.93 1pnl s GLN 341 CO 0.85 0.47 1.61 -0.35 -0.25 0.00 0.00 175.29 177.61 1pnl n PRO 342 N 1.30 1.38 -0.33 2.91 -0.04 -1.26 -4.59 135.00 134.37 1pnl n PRO 342 Ca -0.18 -0.57 0.01 0.00 -0.04 0.00 0.00 63.50 62.73 1pnl n PRO 342 Cb 0.53 -1.34 0.08 0.00 -0.04 0.00 0.00 33.50 32.73 1pnl n PRO 342 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1pnl h GLY 343 N 5.23 0.34 1.06 0.55 0.00 -1.97 -1.85 103.07 106.43 1pnl h GLY 343 Ca 0.00 0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 1pnl h GLY 343 CO 0.00 -0.28 0.23 1.76 0.00 0.00 0.00 176.54 178.25 1pnl h SER 344 N -0.02 1.10 -0.49 0.19 0.02 -1.98 -0.42 113.55 111.94 1pnl h SER 344 Ca 0.38 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1pnl h SER 344 Cb 0.63 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1pnl h SER 344 CO -0.92 1.02 0.30 0.00 -1.14 0.00 0.00 176.83 176.09 1pnl h ALA 345 N 1.12 0.63 0.48 3.77 0.00 -1.69 -0.71 119.26 122.85 1pnl h ALA 345 Ca 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1pnl h ALA 345 Cb 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pnl h ALA 345 CO -0.01 0.11 -0.23 0.82 0.00 0.00 0.00 179.25 179.95 1pnl h ILE 346 N 0.66 0.53 -0.42 0.00 2.04 -1.25 -1.98 117.51 117.09 1pnl h ILE 346 Ca 0.18 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.04 1pnl h ILE 346 Cb -0.01 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1pnl h ILE 346 CO -0.03 0.00 0.28 -0.07 0.00 0.00 0.00 178.15 178.33 1pnl h LEU 347 N -0.65 0.43 -0.02 1.44 3.38 -1.04 0.11 115.31 118.97 1pnl h LEU 347 Ca -0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pnl h LEU 347 Cb 0.49 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1pnl h LEU 347 CO 0.11 0.31 -0.00 -1.13 0.09 0.00 0.00 178.44 177.81 1pnl h ASN 348 N 0.51 0.03 -0.32 -0.43 -0.00 -0.94 0.34 115.58 114.76 1pnl h ASN 348 Ca 0.16 -0.34 -0.07 0.00 -0.00 0.00 0.00 56.30 56.06 1pnl h ASN 348 Cb 0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 38.34 1pnl h ASN 348 CO -0.04 0.36 -0.08 0.58 -0.00 0.00 0.00 177.43 178.25 1pnl h VAL 349 N -0.30 1.28 0.08 2.57 2.07 -0.95 -1.81 116.25 119.19 1pnl h VAL 349 Ca 0.00 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.41 1pnl h VAL 349 Cb 0.35 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1pnl h VAL 349 CO 0.00 0.37 -0.14 -0.25 0.02 0.00 0.00 177.57 177.56 1pnl h TRP 350 N 0.40 -0.37 -0.90 1.57 7.01 -0.80 -2.28 115.95 120.59 1pnl h TRP 350 Ca 0.08 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.09 1pnl h TRP 350 Cb 0.58 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.75 1pnl h TRP 350 CO 0.05 -0.22 0.57 1.25 -2.79 0.00 0.00 178.44 177.30 1pnl h LEU 351 N -0.28 1.06 -0.72 0.65 5.85 -0.91 0.14 115.31 121.10 1pnl h LEU 351 Ca 0.02 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1pnl h LEU 351 Cb 0.30 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1pnl h LEU 351 CO -0.09 0.80 0.47 0.74 -0.34 0.00 0.00 178.44 180.02 1pnl h THR 352 N 1.23 1.19 -0.15 1.05 2.02 -1.15 -1.11 112.91 116.00 1pnl h THR 352 Ca 0.33 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1pnl h THR 352 Cb -0.09 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 1pnl h THR 352 CO -0.07 0.19 0.01 -1.28 0.37 0.00 0.00 175.52 174.74 1pnl h SER 353 N 0.98 0.25 -0.51 4.18 0.87 -0.85 -1.87 113.55 116.59 1pnl h SER 353 Ca 0.26 -0.29 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1pnl h SER 353 Cb -0.10 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.74 1pnl h SER 353 CO -0.06 0.47 0.23 0.24 -0.53 0.00 0.00 176.83 177.19 1pnl h MET 354 N 0.01 0.44 -0.47 2.24 2.07 -0.53 -2.03 114.93 116.66 1pnl h MET 354 Ca 0.04 -0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.61 1pnl h MET 354 Cb 0.34 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 29.95 1pnl h MET 354 CO 0.01 0.29 0.16 -0.07 1.07 0.00 0.00 176.91 178.36 1pnl h LEU 355 N 0.45 0.68 -1.32 1.22 3.38 -1.11 -1.84 115.31 116.77 1pnl h LEU 355 Ca 0.23 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1pnl h LEU 355 Cb 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1pnl h LEU 355 CO -0.19 0.70 0.37 0.50 0.09 0.00 0.00 178.44 179.91 1pnl h LYS 356 N 0.63 0.83 0.00 1.13 3.64 -0.89 -1.42 116.57 120.49 1pnl h LYS 356 Ca 0.15 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1pnl h LYS 356 Cb 0.26 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1pnl h LYS 356 CO -0.01 0.58 -0.29 0.00 -2.27 0.00 0.00 179.45 177.47 1pnl h ARG 357 N 0.85 0.00 0.00 1.90 3.08 -1.14 -3.29 114.38 115.79 1pnl h ARG 357 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1pnl h ARG 357 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1pnl h ARG 357 CO -0.04 0.25 0.00 0.25 -1.07 0.00 0.00 179.97 179.36 1pnl n THR 358 N -3.15 0.00 -0.07 2.04 -2.24 -0.71 -4.70 114.28 105.44 1pnl n THR 358 Ca 0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.74 1pnl n THR 358 Cb 0.64 -0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1pnl n THR 358 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1pnl h VAL 359 N 0.00 0.82 -0.86 2.28 2.07 -1.76 -2.57 116.25 116.24 1pnl h VAL 359 Ca 0.00 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1pnl h VAL 359 Cb 0.00 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1pnl h VAL 359 CO 0.00 0.02 0.56 0.58 0.02 0.00 0.00 177.57 178.75 1pnl h VAL 360 N 0.11 1.16 -0.80 2.57 2.07 -1.50 -2.53 116.25 117.33 1pnl h VAL 360 Ca 0.13 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1pnl h VAL 360 Cb 0.17 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1pnl h VAL 360 CO -0.21 0.20 0.34 0.00 0.02 0.00 0.00 177.57 177.91 1pnl h ALA 361 N 1.34 1.07 0.00 1.67 0.00 -1.57 -2.96 119.26 118.82 1pnl h ALA 361 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pnl h ALA 361 Cb -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1pnl h ALA 361 CO -0.10 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1pnl h ALA 362 N 1.20 1.00 -3.17 0.00 0.00 -1.06 -3.45 119.26 113.78 1pnl h ALA 362 Ca 0.27 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.54 1pnl h ALA 362 Cb 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.84 1pnl h ALA 362 CO -0.02 0.00 -0.56 0.08 0.00 0.00 0.00 179.25 178.74 1pnl s VAL 363 N -3.43 4.78 0.59 0.00 1.01 -1.12 -5.09 120.40 117.15 1pnl s VAL 363 Ca 0.04 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 1pnl s VAL 363 Cb 0.09 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1pnl s VAL 363 CO 0.53 0.53 1.25 -2.84 0.00 0.00 0.00 175.10 174.57 1pnl s PRO 364 N -0.21 2.92 0.37 2.72 0.02 -1.26 -4.29 135.00 135.28 1pnl s PRO 364 Ca 0.08 1.95 -0.26 0.00 0.02 0.00 0.00 61.00 62.79 1pnl s PRO 364 Cb -0.12 -1.98 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 1pnl s PRO 364 CO 0.01 -1.28 1.10 -1.64 -0.33 0.00 0.00 177.00 174.87 1pnl s MET 365 N -3.24 4.23 -0.19 5.54 -1.94 -1.26 -1.13 119.30 121.32 1pnl s MET 365 Ca 0.77 1.68 0.13 0.00 -1.71 0.00 0.00 55.69 56.56 1pnl s MET 365 Cb -0.34 -2.73 0.70 0.00 2.01 0.00 0.00 34.83 34.47 1pnl s MET 365 CO 0.37 -0.12 1.57 -0.35 -0.01 0.00 0.00 175.02 176.48 1pnl n PRO 366 N 0.26 4.22 0.23 2.03 -0.04 -1.26 -4.88 135.00 135.55 1pnl n PRO 366 Ca 0.03 -2.70 0.15 0.00 -0.04 0.00 0.00 63.50 60.95 1pnl n PRO 366 Cb 0.47 -2.11 0.61 0.00 -0.04 0.00 0.00 33.50 32.44 1pnl n PRO 366 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1pnl h PHE 367 N 3.50 0.00 0.00 0.54 0.04 -1.45 -2.90 116.94 116.66 1pnl h PHE 367 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1pnl h PHE 367 Cb 1.70 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.85 1pnl h PHE 367 CO 0.91 0.00 -0.20 0.38 -0.60 0.00 0.00 178.31 178.80 1pnl h ASP 368 N 0.00 0.00 0.69 2.17 2.03 -1.62 -2.45 116.42 117.24 1pnl h ASP 368 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1pnl h ASP 368 Cb 0.47 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1pnl h ASP 368 CO 0.00 0.20 -0.04 0.11 -1.03 0.00 0.00 179.24 178.48 1pnl h LYS 369 N 0.00 0.00 0.00 4.15 6.56 -1.84 -2.53 116.57 122.91 1pnl h LYS 369 Ca -0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1pnl h LYS 369 Cb 0.37 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 1pnl h LYS 369 CO 0.03 0.04 -0.18 -1.49 -2.06 0.00 0.00 179.45 175.78 1pnl h TRP 370 N 0.00 0.00 -0.16 -1.35 6.55 -1.65 -3.25 115.95 116.10 1pnl h TRP 370 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1pnl h TRP 370 Cb 0.39 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.69 1pnl h TRP 370 CO 0.00 0.18 0.00 0.66 -1.05 0.00 0.00 178.44 178.23 1pnl n TYR 371 N -3.44 0.19 0.77 0.49 4.01 -0.95 -4.67 117.16 113.57 1pnl n TYR 371 Ca -0.00 -0.19 0.13 0.00 -0.16 0.00 0.00 57.90 57.68 1pnl n TYR 371 Cb 0.36 -0.01 0.37 0.00 -0.31 0.00 0.00 39.34 39.76 1pnl n TYR 371 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1pnl n SER 372 N 0.69 0.52 -4.75 7.72 3.41 -1.21 -4.21 113.62 115.79 1pnl n SER 372 Ca 0.09 0.30 -0.41 0.00 -0.26 0.00 0.00 58.87 58.60 1pnl n SER 372 Cb 0.36 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 1pnl n SER 372 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pnl s ALA 373 N -3.08 3.40 -0.30 7.33 0.00 -1.26 -4.84 121.76 123.01 1pnl s ALA 373 Ca 0.10 0.89 0.23 0.00 0.00 0.00 0.00 51.96 53.18 1pnl s ALA 373 Cb 0.15 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 20.05 1pnl s ALA 373 CO 0.63 -0.20 1.24 0.66 0.00 0.00 0.00 175.76 178.09 1pnl h SER 374 N 4.27 0.00 0.00 0.00 4.64 -1.91 -3.42 113.55 117.13 1pnl h SER 374 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1pnl h SER 374 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1pnl h SER 374 CO 0.69 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1pnl n GLY 375 N 1.16 0.89 1.34 -0.77 0.00 -1.26 -4.27 105.19 102.28 1pnl n GLY 375 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1pnl n GLY 375 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pnl n TYR 376 N -2.10 1.30 0.00 1.61 4.02 -1.26 -4.59 117.16 116.14 1pnl n TYR 376 Ca 0.00 -0.67 0.00 0.00 -0.01 0.00 0.00 57.90 57.22 1pnl n TYR 376 Cb 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.05 1pnl n TYR 376 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1pnl n GLU 377 N 0.61 0.00 -0.59 -0.72 0.28 -1.26 -4.96 120.64 113.99 1pnl n GLU 377 Ca 0.23 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.25 1pnl n GLU 377 Cb 0.87 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.73 1pnl n GLU 377 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1pnl n THR 378 N 0.00 -0.07 -3.37 3.84 -2.24 -1.26 -5.04 114.28 106.13 1pnl n THR 378 Ca 0.00 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1pnl n THR 378 Cb 0.00 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1pnl n THR 378 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pnl n THR 379 N -2.92 0.00 -0.23 4.28 -2.24 -1.26 -4.99 114.28 106.92 1pnl n THR 379 Ca -0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 1pnl n THR 379 Cb 0.17 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1pnl n THR 379 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1pnl h GLN 380 N 0.00 1.06 0.00 -0.78 4.20 -1.99 -2.63 115.11 114.97 1pnl h GLN 380 Ca 0.00 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1pnl h GLN 380 Cb 0.00 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1pnl h GLN 380 CO 0.00 0.97 0.00 -0.25 -0.67 0.00 0.00 178.83 178.88 1pnl n ASP 381 N -4.26 0.00 0.00 1.46 8.00 -1.26 -4.67 116.55 115.81 1pnl n ASP 381 Ca 0.04 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1pnl n ASP 381 Cb 0.27 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1pnl n ASP 381 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pnl n GLY 382 N 0.69 -2.07 3.76 0.44 0.00 -0.99 -2.64 105.19 104.38 1pnl n GLY 382 Ca 0.10 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 1pnl n GLY 382 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pnl s PRO 383 N -0.08 3.49 0.37 1.61 0.02 -1.26 -4.09 135.00 135.07 1pnl s PRO 383 Ca 0.00 2.14 0.25 0.00 0.02 0.00 0.00 61.00 63.41 1pnl s PRO 383 Cb 0.00 -2.43 0.57 0.00 0.02 0.00 0.00 34.50 32.66 1pnl s PRO 383 CO 0.00 -0.88 1.69 1.79 -0.33 0.00 0.00 177.00 179.27 1pnl h THR 384 N 1.83 0.00 -0.71 0.99 1.35 -1.96 -3.45 112.91 110.97 1pnl h THR 384 Ca -0.50 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 1pnl h THR 384 Cb 1.27 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1pnl h THR 384 CO 0.59 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1pnl n GLY 385 N 1.07 3.80 3.75 5.82 0.00 -1.26 -4.13 105.19 114.24 1pnl n GLY 385 Ca 0.04 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 1pnl n GLY 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pnl s SER 386 N 1.68 4.67 0.06 1.61 1.04 -1.26 -5.00 113.70 116.50 1pnl s SER 386 Ca 0.00 2.13 -0.21 0.00 0.48 0.00 0.00 55.95 58.35 1pnl s SER 386 Cb 0.00 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 1pnl s SER 386 CO 0.00 -1.93 0.63 -0.76 0.98 0.00 0.00 173.24 172.16 1pnl s LEU 387 N -5.07 4.50 0.24 2.42 1.02 -1.26 -5.07 118.68 115.47 1pnl s LEU 387 Ca 0.69 1.32 -0.04 0.00 0.02 0.00 0.00 54.13 56.13 1pnl s LEU 387 Cb -0.24 -3.00 -0.02 0.00 0.02 0.00 0.00 46.19 42.94 1pnl s LEU 387 CO 0.44 0.19 0.28 0.21 0.02 0.00 0.00 176.35 177.49 1pnl s ASN 388 N -0.75 0.32 -0.12 2.29 3.84 -1.26 -5.08 114.94 114.17 1pnl s ASN 388 Ca 0.32 -1.31 -0.29 0.00 0.21 0.00 0.00 52.86 51.79 1pnl s ASN 388 Cb -0.20 0.49 -0.01 0.00 -0.55 0.00 0.00 41.25 40.98 1pnl s ASN 388 CO 0.20 -1.00 0.96 -0.63 -2.79 0.00 0.00 177.10 173.85 1pnl s ILE 389 N -3.93 4.81 0.84 -5.21 1.01 -1.26 -4.73 121.20 112.73 1pnl s ILE 389 Ca 0.34 1.95 -0.10 0.00 0.00 0.00 0.00 60.65 62.83 1pnl s ILE 389 Cb 0.04 -4.27 0.10 0.00 0.01 0.00 0.00 42.46 38.33 1pnl s ILE 389 CO 0.14 0.01 1.11 -0.94 0.00 0.00 0.00 174.94 175.26 1pnl s SER 390 N 1.10 3.82 0.15 3.58 1.04 -1.26 -4.82 113.70 117.31 1pnl s SER 390 Ca 0.46 1.91 -0.17 0.00 0.48 0.00 0.00 55.95 58.63 1pnl s SER 390 Cb -0.18 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.45 1pnl s SER 390 CO 0.16 -2.48 1.77 0.58 0.98 0.00 0.00 173.24 174.25 1pnl h VAL 391 N -1.44 0.99 -0.73 5.02 2.07 -1.85 -1.21 116.25 119.10 1pnl h VAL 391 Ca -0.44 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.04 1pnl h VAL 391 Cb 1.25 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 1pnl h VAL 391 CO 0.48 0.06 0.41 1.23 0.02 0.00 0.00 177.57 179.77 1pnl h GLY 392 N 0.34 1.10 1.06 2.17 0.00 -1.80 -1.46 103.07 104.48 1pnl h GLY 392 Ca 0.14 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1pnl h GLY 392 CO -0.09 0.14 0.20 0.00 0.00 0.00 0.00 176.54 176.79 1pnl h ALA 393 N 1.40 0.96 -0.54 3.60 0.00 -1.71 0.23 119.26 123.19 1pnl h ALA 393 Ca 0.34 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1pnl h ALA 393 Cb 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1pnl h ALA 393 CO -0.22 0.66 -0.02 0.87 0.00 0.00 0.00 179.25 180.54 1pnl h LYS 394 N 1.09 0.97 -0.30 0.00 1.57 -0.60 -1.49 116.57 117.82 1pnl h LYS 394 Ca 0.23 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1pnl h LYS 394 Cb 0.34 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1pnl h LYS 394 CO -0.00 0.99 0.03 0.82 -0.57 0.00 0.00 179.45 180.72 1pnl h ILE 395 N 0.85 1.24 -0.41 1.86 2.04 -1.07 -3.09 117.51 118.93 1pnl h ILE 395 Ca 0.15 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1pnl h ILE 395 Cb 0.57 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1pnl h ILE 395 CO 0.03 0.28 0.15 0.25 0.00 0.00 0.00 178.15 178.86 1pnl h LEU 396 N 0.32 0.54 -1.01 1.44 5.85 -0.46 -2.71 115.31 119.28 1pnl h LEU 396 Ca 0.09 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1pnl h LEU 396 Cb 0.38 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1pnl h LEU 396 CO 0.01 0.50 0.38 0.22 -0.34 0.00 0.00 178.44 179.22 1pnl h TYR 397 N 0.59 1.08 -0.33 1.25 3.20 -1.19 -1.41 116.97 120.15 1pnl h TYR 397 Ca 0.14 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1pnl h TYR 397 Cb 0.15 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1pnl h TYR 397 CO 0.01 0.77 0.04 0.93 -1.64 0.00 0.00 178.16 178.27 1pnl h GLU 398 N 1.08 0.55 -0.55 1.82 4.39 -1.43 -2.73 114.58 117.72 1pnl h GLU 398 Ca 0.27 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.85 1pnl h GLU 398 Cb 0.09 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 1pnl h GLU 398 CO -0.04 0.65 0.30 0.00 -1.16 0.00 0.00 179.01 178.77 1pnl h ALA 399 N 0.88 0.71 0.00 3.43 0.00 -1.18 -1.65 119.26 121.44 1pnl h ALA 399 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pnl h ALA 399 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pnl h ALA 399 CO 0.01 -0.02 0.00 1.33 0.00 0.00 0.00 179.25 180.57 1pnl n VAL 400 N -4.83 0.34 0.30 0.00 0.24 -0.58 -1.47 118.33 112.33 1pnl n VAL 400 Ca 0.05 0.08 0.12 0.00 -2.04 0.00 0.00 64.34 62.55 1pnl n VAL 400 Cb 0.12 -0.72 0.09 0.00 -1.47 0.00 0.00 33.84 31.85 1pnl n VAL 400 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1pnl h GLN 401 N 0.00 0.00 0.00 7.34 1.08 -0.98 -3.49 115.11 119.07 1pnl h GLN 401 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1pnl h GLN 401 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1pnl h GLN 401 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1pnl n GLY 402 N 1.23 4.11 0.00 3.46 0.00 -0.54 -0.87 105.19 112.58 1pnl n GLY 402 Ca 0.02 0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.36 1pnl n GLY 402 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pnl n ASP 403 N 8.63 0.05 0.17 1.61 2.03 -1.26 -3.23 116.55 124.55 1pnl n ASP 403 Ca 0.00 0.44 0.13 0.00 0.52 0.00 0.00 54.79 55.88 1pnl n ASP 403 Cb 0.00 -0.45 0.34 0.00 -0.72 0.00 0.00 41.12 40.30 1pnl n ASP 403 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1pnl h LYS 404 N 0.00 0.00 -6.44 -0.67 1.63 -1.37 -3.44 116.57 106.29 1pnl h LYS 404 Ca 0.00 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.27 1pnl h LYS 404 Cb 0.50 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 1pnl h LYS 404 CO 0.00 0.00 0.35 0.45 -3.45 0.00 0.00 179.45 176.80 1pnl s SER 405 N -5.29 7.39 0.00 4.20 0.15 -1.20 -4.96 113.70 113.99 1pnl s SER 405 Ca 0.08 1.67 0.22 0.00 0.70 0.00 0.00 55.95 58.62 1pnl s SER 405 Cb 0.09 -2.56 0.95 0.00 -1.71 0.00 0.00 66.02 62.78 1pnl s SER 405 CO 0.60 -0.18 1.71 -0.81 1.20 0.00 0.00 173.24 175.76 1pnl n PRO 406 N 3.49 0.01 -3.07 5.44 -0.04 -1.26 -4.70 135.00 134.86 1pnl n PRO 406 Ca 0.04 0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 63.20 1pnl n PRO 406 Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 1pnl n PRO 406 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1pnl s ILE 407 N -2.99 4.84 0.11 0.52 -1.09 -1.26 -5.01 121.20 116.32 1pnl s ILE 407 Ca 0.11 0.58 -0.32 0.00 -2.23 0.00 0.00 60.65 58.79 1pnl s ILE 407 Cb 0.14 -4.13 -0.11 0.00 -1.58 0.00 0.00 42.46 36.78 1pnl s ILE 407 CO 0.40 -0.39 1.81 -2.65 -1.23 0.00 0.00 174.94 172.87 1pnl n PRO 408 N 6.18 2.65 -2.89 2.79 -0.02 -1.26 -4.90 135.00 137.56 1pnl n PRO 408 Ca -0.00 0.96 -0.44 0.00 -2.02 0.00 0.00 63.50 62.01 1pnl n PRO 408 Cb 0.48 -2.84 -0.00 0.00 -0.02 0.00 0.00 33.50 31.12 1pnl n PRO 408 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1pnl s GLN 409 N 2.56 3.99 0.31 -0.52 -1.52 -1.26 -4.86 119.66 118.37 1pnl s GLN 409 Ca 0.82 -2.35 0.04 0.00 -1.95 0.00 0.00 55.36 51.93 1pnl s GLN 409 Cb -0.53 -5.11 0.66 0.00 -0.22 0.00 0.00 33.01 27.81 1pnl s GLN 409 CO 0.39 -1.84 1.85 0.00 -0.25 0.00 0.00 175.29 175.43 1pnl h ALA 410 N 7.52 1.64 -4.08 6.09 0.00 -2.05 -3.39 119.26 125.00 1pnl h ALA 410 Ca 0.31 0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.62 1pnl h ALA 410 Cb 0.90 -0.17 -0.31 0.00 0.00 0.00 0.00 17.79 18.21 1pnl h ALA 410 CO 1.26 0.11 -0.86 0.14 0.00 0.00 0.00 179.25 179.90 1pnl s VAL 411 N -5.85 1.72 -0.30 0.00 -7.23 -1.26 -5.09 120.40 102.39 1pnl s VAL 411 Ca -0.11 -0.89 -0.25 0.00 -1.81 0.00 0.00 61.98 58.91 1pnl s VAL 411 Cb 0.22 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.71 1pnl s VAL 411 CO 0.80 0.49 0.88 -0.62 -0.31 0.00 0.00 175.10 176.33 1pnl s ASP 412 N -0.17 6.77 0.49 4.85 2.15 -1.26 -4.90 116.67 124.60 1pnl s ASP 412 Ca -0.01 0.82 0.28 0.00 0.43 0.00 0.00 52.55 54.08 1pnl s ASP 412 Cb -0.11 -2.45 1.15 0.00 -0.30 0.00 0.00 42.92 41.20 1pnl s ASP 412 CO 0.02 -0.68 1.91 -0.07 -0.17 0.00 0.00 175.17 176.18 1pnl h LEU 413 N 9.60 0.00 -0.71 -1.34 3.38 -1.94 -2.37 115.31 121.93 1pnl h LEU 413 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1pnl h LEU 413 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1pnl h LEU 413 CO 0.93 0.12 0.00 0.49 0.09 0.00 0.00 178.44 180.07 1pnl n PHE 414 N -3.29 0.09 -4.26 1.13 3.72 -1.26 -4.35 117.46 109.25 1pnl n PHE 414 Ca 0.00 -0.05 -0.31 0.00 -0.05 0.00 0.00 57.45 57.05 1pnl n PHE 414 Cb 0.36 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.81 1pnl n PHE 414 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pnl n ALA 415 N -0.10 -1.89 -0.21 4.37 0.00 -0.89 -1.33 120.51 120.45 1pnl n ALA 415 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1pnl n ALA 415 Cb 0.25 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1pnl n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pnl n GLY 416 N -2.38 1.72 3.85 0.00 0.00 -1.26 -5.05 105.19 102.07 1pnl n GLY 416 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1pnl n GLY 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnl s LYS 417 N -0.30 3.95 0.43 1.61 1.02 -0.44 -5.04 119.74 120.96 1pnl s LYS 417 Ca 0.00 0.49 -0.25 0.00 0.02 0.00 0.00 55.97 56.23 1pnl s LYS 417 Cb 0.00 -2.71 -0.08 0.00 -0.52 0.00 0.00 37.83 34.52 1pnl s LYS 417 CO 0.00 0.34 1.29 -1.25 -0.92 0.00 0.00 175.35 174.81 1pnl s PRO 418 N -2.51 3.82 0.20 -1.68 0.04 -1.26 -4.82 135.00 128.79 1pnl s PRO 418 Ca 0.46 2.12 -0.16 0.00 0.04 0.00 0.00 61.00 63.45 1pnl s PRO 418 Cb -0.13 -2.63 0.20 0.00 0.04 0.00 0.00 34.50 31.98 1pnl s PRO 418 CO 0.20 -0.61 1.61 1.96 0.04 0.00 0.00 177.00 180.20 1pnl h GLN 419 N 2.41 -0.07 -0.99 4.56 4.20 -1.96 -1.95 115.11 121.30 1pnl h GLN 419 Ca -0.50 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.41 1pnl h GLN 419 Cb 1.25 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.94 1pnl h GLN 419 CO 0.61 -0.05 0.59 0.37 -0.67 0.00 0.00 178.83 179.69 1pnl h GLN 420 N -0.07 0.72 -0.12 1.46 4.15 -1.95 -0.04 115.11 119.26 1pnl h GLN 420 Ca 0.28 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.53 1pnl h GLN 420 Cb 0.51 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1pnl h GLN 420 CO -0.67 0.47 -0.48 1.49 -1.93 0.00 0.00 178.83 177.71 1pnl h GLU 421 N 0.74 0.30 -0.13 1.69 4.81 -1.72 -0.63 114.58 119.62 1pnl h GLU 421 Ca 0.58 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.51 1pnl h GLU 421 Cb 0.91 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1pnl h GLU 421 CO -0.39 0.72 -0.42 0.28 -0.73 0.00 0.00 179.01 178.47 1pnl h VAL 422 N 0.24 1.36 -0.08 0.32 2.07 -1.07 -2.28 116.25 116.81 1pnl h VAL 422 Ca 0.01 -1.71 0.02 0.00 0.82 0.00 0.00 66.70 65.85 1pnl h VAL 422 Cb 0.94 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1pnl h VAL 422 CO 0.08 0.52 -0.07 0.58 0.02 0.00 0.00 177.57 178.69 1pnl h VAL 423 N 0.14 0.79 -0.62 2.57 2.07 -1.00 -1.45 116.25 118.74 1pnl h VAL 423 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1pnl h VAL 423 Cb 1.04 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1pnl h VAL 423 CO 0.09 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.74 1pnl h LEU 424 N -0.09 0.93 -0.66 2.57 3.38 -1.17 -0.65 115.31 119.63 1pnl h LEU 424 Ca 0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1pnl h LEU 424 Cb 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1pnl h LEU 424 CO -0.13 0.91 0.39 0.00 0.09 0.00 0.00 178.44 179.70 1pnl h ALA 425 N 1.20 0.84 -0.48 1.53 0.00 -0.95 -1.98 119.26 119.42 1pnl h ALA 425 Ca 0.20 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1pnl h ALA 425 Cb 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1pnl h ALA 425 CO 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 179.25 179.45 1pnl h ALA 426 N 1.20 0.88 0.00 0.00 0.00 -0.89 -2.40 119.26 118.05 1pnl h ALA 426 Ca 0.24 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1pnl h ALA 426 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1pnl h ALA 426 CO -0.04 0.64 -0.21 -0.07 0.00 0.00 0.00 179.25 179.57 1pnl h LEU 427 N 0.80 0.00 -0.15 0.00 3.38 -0.88 -0.28 115.31 118.18 1pnl h LEU 427 Ca 0.13 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 1pnl h LEU 427 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1pnl h LEU 427 CO 0.04 0.21 -0.76 -0.08 0.09 0.00 0.00 178.44 177.94 1pnl h GLU 428 N 0.00 0.77 -0.46 1.13 4.81 -1.03 -1.53 114.58 118.28 1pnl h GLU 428 Ca -0.00 -0.64 0.01 0.00 -0.13 0.00 0.00 59.36 58.60 1pnl h GLU 428 Cb 0.37 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1pnl h GLU 428 CO 0.03 1.24 0.30 -0.44 -0.73 0.00 0.00 179.01 179.41 1pnl h ASP 429 N 0.50 0.51 0.52 1.04 3.32 -0.96 -0.44 116.42 120.90 1pnl h ASP 429 Ca -0.05 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1pnl h ASP 429 Cb 1.40 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1pnl h ASP 429 CO 0.16 0.37 -0.30 0.74 -1.72 0.00 0.00 179.24 178.48 1pnl h THR 430 N 0.60 0.37 -0.49 0.35 2.02 -0.94 -1.41 112.91 113.42 1pnl h THR 430 Ca 0.17 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.40 1pnl h THR 430 Cb -0.06 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 66.68 1pnl h THR 430 CO -0.04 0.00 0.23 -0.25 0.37 0.00 0.00 175.52 175.83 1pnl h TRP 431 N -0.77 0.43 -0.34 3.16 2.91 -1.22 0.05 115.95 120.16 1pnl h TRP 431 Ca -0.06 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.01 1pnl h TRP 431 Cb 0.63 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 29.12 1pnl h TRP 431 CO -0.09 0.20 0.13 1.49 -1.03 0.00 0.00 178.44 179.15 1pnl h GLU 432 N 0.46 0.28 -0.04 2.65 4.22 -0.92 -1.58 114.58 119.65 1pnl h GLU 432 Ca 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 1pnl h GLU 432 Cb 0.15 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1pnl h GLU 432 CO -0.17 0.18 0.00 1.15 -2.18 0.00 0.00 179.01 178.00 1pnl h THR 433 N 0.29 1.23 -0.10 0.32 2.02 -0.84 -3.08 112.91 112.75 1pnl h THR 433 Ca 0.15 -0.70 -0.19 0.00 0.77 0.00 0.00 66.41 66.44 1pnl h THR 433 Cb 0.10 1.62 0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1pnl h THR 433 CO -0.14 0.19 -0.69 -0.07 0.37 0.00 0.00 175.52 175.18 1pnl h LEU 434 N -0.20 0.77 -1.43 2.58 3.38 -0.98 -3.20 115.31 116.23 1pnl h LEU 434 Ca 0.01 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.29 1pnl h LEU 434 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1pnl h LEU 434 CO 0.00 1.32 0.06 0.77 0.09 0.00 0.00 178.44 180.68 1pnl h SER 435 N 0.29 0.40 -0.69 -0.43 4.64 -1.42 -0.14 113.55 116.19 1pnl h SER 435 Ca -0.06 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 1pnl h SER 435 Cb 1.34 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 1pnl h SER 435 CO 0.14 0.42 0.17 0.50 -0.87 0.00 0.00 176.83 177.19 1pnl h LYS 436 N 0.43 1.12 0.15 4.77 3.11 -1.57 0.34 116.57 124.92 1pnl h LYS 436 Ca 0.10 -0.26 -0.34 0.00 -2.81 0.00 0.00 60.65 57.34 1pnl h LYS 436 Cb 0.19 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1pnl h LYS 436 CO -0.00 0.98 -1.74 -0.09 -2.81 0.00 0.00 179.45 175.79 1pnl h ARG 437 N 1.06 0.33 0.00 1.90 2.43 -1.41 -3.41 114.38 115.28 1pnl h ARG 437 Ca 0.22 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1pnl h ARG 437 Cb 0.36 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1pnl h ARG 437 CO 0.00 1.27 -0.87 0.66 -1.51 0.00 0.00 179.97 179.52 1pnl n TYR 438 N -3.65 0.00 -0.07 2.20 4.01 -0.12 -5.12 117.16 114.42 1pnl n TYR 438 Ca -0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 1pnl n TYR 438 Cb 1.03 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 40.01 1pnl n TYR 438 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pnl n GLY 439 N 1.40 -3.41 0.10 2.72 0.00 0.12 -4.73 105.19 101.38 1pnl n GLY 439 Ca 0.02 -2.07 0.12 0.00 0.00 0.00 0.00 46.02 44.09 1pnl n GLY 439 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pnl h ASN 440 N 0.00 0.00 -2.30 1.61 2.35 -1.95 -3.37 115.58 111.92 1pnl h ASN 440 Ca 0.00 -0.09 -0.68 0.00 -0.55 0.00 0.00 56.30 54.98 1pnl h ASN 440 Cb 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.20 1pnl h ASN 440 CO 0.00 0.04 0.89 0.21 -1.65 0.00 0.00 177.43 176.92 1pnl s ASN 441 N -4.96 6.61 0.48 5.81 3.04 -1.26 -4.88 114.94 119.78 1pnl s ASN 441 Ca 0.02 -1.99 0.24 0.00 0.04 0.00 0.00 52.86 51.17 1pnl s ASN 441 Cb 0.11 -2.41 1.28 0.00 -1.54 0.00 0.00 41.25 38.69 1pnl s ASN 441 CO 0.77 -1.10 1.89 0.58 -3.04 0.00 0.00 177.10 176.19 1pnl h VAL 442 N 5.91 0.63 0.00 -5.21 2.07 -1.94 -1.63 116.25 116.09 1pnl h VAL 442 Ca 0.16 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1pnl h VAL 442 Cb 1.02 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1pnl h VAL 442 CO 1.13 0.04 -0.00 0.28 0.02 0.00 0.00 177.57 179.04 1pnl h SER 443 N 0.19 0.00 -0.19 0.57 0.02 -1.99 -2.62 113.55 109.52 1pnl h SER 443 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1pnl h SER 443 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1pnl h SER 443 CO -0.09 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.14 1pnl n ASN 444 N -3.09 3.36 -4.68 3.07 2.04 -0.61 -4.99 115.26 110.35 1pnl n ASN 444 Ca -0.01 -2.92 -0.42 0.00 -0.44 0.00 0.00 54.58 50.78 1pnl n ASN 444 Cb 0.18 -0.47 -0.03 0.00 -2.53 0.00 0.00 39.78 36.93 1pnl n ASN 444 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1pnl s TRP 445 N -2.64 2.93 -0.58 -2.53 0.52 -0.99 -4.96 118.94 110.69 1pnl s TRP 445 Ca 0.37 0.97 0.03 0.00 0.02 0.00 0.00 56.10 57.48 1pnl s TRP 445 Cb 0.30 -3.55 0.14 0.00 -1.15 0.00 0.00 33.47 29.21 1pnl s TRP 445 CO 0.08 -1.95 0.34 0.15 0.02 0.00 0.00 176.95 175.59 1pnl s LYS 446 N 2.65 2.20 0.29 4.98 1.02 -1.26 -4.68 119.74 124.94 1pnl s LYS 446 Ca 0.59 -2.73 -0.18 0.00 0.02 0.00 0.00 55.97 53.68 1pnl s LYS 446 Cb -0.27 -3.44 -0.09 0.00 -0.52 0.00 0.00 37.83 33.51 1pnl s LYS 446 CO 0.22 -1.15 0.76 0.95 -0.92 0.00 0.00 175.35 175.22 1pnl s THR 447 N -0.44 4.58 0.09 2.17 -4.23 -1.26 -4.91 115.64 111.65 1pnl s THR 447 Ca 0.18 1.17 -0.31 0.00 -1.18 0.00 0.00 61.69 61.56 1pnl s THR 447 Cb -0.22 -3.73 -0.07 0.00 1.34 0.00 0.00 72.50 69.83 1pnl s THR 447 CO -0.03 -0.02 1.29 -2.16 -0.54 0.00 0.00 174.62 173.16 1pnl s PRO 448 N -2.55 4.38 0.43 3.99 0.04 -1.26 0.08 135.00 140.11 1pnl s PRO 448 Ca 0.50 1.92 -0.21 0.00 0.04 0.00 0.00 61.00 63.26 1pnl s PRO 448 Cb -0.13 -3.29 -0.11 0.00 0.04 0.00 0.00 34.50 31.01 1pnl s PRO 448 CO 0.19 -0.34 0.95 0.00 0.04 0.00 0.00 177.00 177.84 1pnl s ALA 449 N 1.02 3.04 0.30 8.56 0.00 -0.75 -4.67 121.76 129.26 1pnl s ALA 449 Ca 0.61 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.80 1pnl s ALA 449 Cb -0.33 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 1pnl s ALA 449 CO 0.30 0.12 0.78 -1.64 0.00 0.00 0.00 175.76 175.32 1pnl s MET 450 N -3.15 4.17 0.42 0.00 -1.94 -1.26 -4.93 119.30 112.61 1pnl s MET 450 Ca 0.62 0.85 0.07 0.00 -1.71 0.00 0.00 55.69 55.52 1pnl s MET 450 Cb -0.09 -2.59 -0.04 0.00 2.01 0.00 0.00 34.83 34.11 1pnl s MET 450 CO 0.13 0.23 0.21 0.00 -0.01 0.00 0.00 175.02 175.58 1pnl s ALA 451 N -1.81 3.70 -0.11 3.03 0.00 -1.26 -1.88 121.76 123.43 1pnl s ALA 451 Ca 0.51 -1.99 0.03 0.00 0.00 0.00 0.00 51.96 50.51 1pnl s ALA 451 Cb -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1pnl s ALA 451 CO 0.19 -0.19 -0.23 -1.17 0.00 0.00 0.00 175.76 174.36 1pnl s LEU 452 N -3.95 2.14 -0.11 0.00 2.96 -0.71 -3.60 118.68 115.41 1pnl s LEU 452 Ca 0.40 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1pnl s LEU 452 Cb 0.03 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.29 1pnl s LEU 452 CO 0.22 0.14 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.31 1pnl s THR 453 N 0.48 1.74 -0.75 3.68 2.01 -1.08 0.48 115.64 122.20 1pnl s THR 453 Ca -0.15 -0.80 -0.18 0.00 0.31 0.00 0.00 61.69 60.87 1pnl s THR 453 Cb -0.17 -1.55 0.13 0.00 0.01 0.00 0.00 72.50 70.92 1pnl s THR 453 CO 0.06 0.49 0.86 -0.36 -0.69 0.00 0.00 174.62 174.97 1pnl s PHE 454 N 0.76 3.18 0.33 4.92 0.40 0.12 -4.43 117.98 123.26 1pnl s PHE 454 Ca -0.10 -1.29 -0.27 0.00 -0.60 0.00 0.00 56.93 54.67 1pnl s PHE 454 Cb -0.16 -4.07 -0.09 0.00 0.51 0.00 0.00 43.02 39.21 1pnl s PHE 454 CO 0.01 -1.31 1.09 1.03 0.70 0.00 0.00 175.22 176.75 1pnl s ARG 455 N 2.23 4.41 0.43 0.44 0.52 -0.64 -1.60 118.95 124.73 1pnl s ARG 455 Ca 0.20 1.72 0.23 0.00 -0.52 0.00 0.00 55.73 57.35 1pnl s ARG 455 Cb -0.15 -2.91 0.37 0.00 0.52 0.00 0.00 34.95 32.78 1pnl s ARG 455 CO -0.01 0.03 1.62 0.00 0.02 0.00 0.00 175.30 176.95 1pnl h ALA 456 N 3.23 1.00 -2.66 2.13 0.00 -1.89 0.25 119.26 121.32 1pnl h ALA 456 Ca -0.47 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.78 1pnl h ALA 456 Cb 1.22 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1pnl h ALA 456 CO 0.65 0.00 -0.39 -0.80 0.00 0.00 0.00 179.25 178.71 1pnl s ASN 457 N -6.13 6.52 1.03 0.00 -0.87 -1.26 -1.27 114.94 112.96 1pnl s ASN 457 Ca 0.07 0.63 -0.17 0.00 -1.57 0.00 0.00 52.86 51.82 1pnl s ASN 457 Cb 0.05 -2.13 0.22 0.00 -0.02 0.00 0.00 41.25 39.37 1pnl s ASN 457 CO 0.67 0.38 1.22 0.54 -2.57 0.00 0.00 177.10 177.34 1pnl s ASN 458 N -1.03 2.46 0.51 -1.22 2.20 0.14 -4.85 114.94 113.15 1pnl s ASN 458 Ca 0.18 0.49 0.33 0.00 -0.94 0.00 0.00 52.86 52.93 1pnl s ASN 458 Cb -0.13 -0.68 1.82 0.00 -2.00 0.00 0.00 41.25 40.25 1pnl s ASN 458 CO 0.07 -3.16 2.02 2.19 -2.94 0.00 0.00 177.10 175.28 1pnl h PHE 459 N -1.93 0.00 0.00 1.54 -5.15 -1.93 0.10 116.94 109.57 1pnl h PHE 459 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1pnl h PHE 459 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.44 1pnl h PHE 459 CO -1.26 0.00 0.00 1.19 -2.00 0.00 0.00 178.31 176.24 1pnl n PHE 460 N -2.68 0.06 -0.46 6.09 3.01 -1.26 -4.90 117.46 117.32 1pnl n PHE 460 Ca -0.02 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1pnl n PHE 460 Cb 0.06 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.01 1pnl n PHE 460 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pnl n GLY 461 N 1.26 0.75 3.69 1.37 0.00 0.35 -5.07 105.19 107.54 1pnl n GLY 461 Ca 0.06 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1pnl n GLY 461 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pnl s VAL 462 N -2.00 5.12 0.24 1.61 1.01 -1.25 -4.83 120.40 120.30 1pnl s VAL 462 Ca 0.00 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.75 1pnl s VAL 462 Cb 0.00 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 32.93 1pnl s VAL 462 CO 0.00 0.46 1.47 -2.65 0.00 0.00 0.00 175.10 174.38 1pnl n PRO 463 N 3.45 2.20 -0.00 2.72 -0.02 -1.26 0.28 135.00 142.36 1pnl n PRO 463 Ca -0.16 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1pnl n PRO 463 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1pnl n PRO 463 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pnl n GLN 464 N 2.22 1.33 -3.69 -0.52 10.64 -0.40 -4.79 117.38 122.16 1pnl n GLN 464 Ca 0.12 -0.94 -0.01 0.00 -1.83 0.00 0.00 57.00 54.33 1pnl n GLN 464 Cb 0.32 -0.72 -0.01 0.00 -0.86 0.00 0.00 30.24 28.97 1pnl n GLN 464 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pnl s ALA 465 N -0.44 -1.92 0.41 2.61 0.00 -1.04 -4.61 121.76 116.76 1pnl s ALA 465 Ca 0.00 0.39 -0.22 0.00 0.00 0.00 0.00 51.96 52.13 1pnl s ALA 465 Cb 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 23.12 23.52 1pnl s ALA 465 CO 0.00 -1.05 0.96 0.00 0.00 0.00 0.00 175.76 175.68 1pnl s ALA 466 N -2.89 3.06 0.32 0.00 0.00 -1.26 -4.79 121.76 116.19 1pnl s ALA 466 Ca 0.13 0.46 0.08 0.00 0.00 0.00 0.00 51.96 52.63 1pnl s ALA 466 Cb 0.01 -3.17 0.80 0.00 0.00 0.00 0.00 23.12 20.76 1pnl s ALA 466 CO -0.01 0.08 1.78 0.00 0.00 0.00 0.00 175.76 177.61 1pnl h ALA 467 N 2.16 1.75 0.00 0.00 0.00 -2.01 0.14 119.26 121.31 1pnl h ALA 467 Ca -0.49 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1pnl h ALA 467 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1pnl h ALA 467 CO 0.62 -0.13 0.00 0.93 0.00 0.00 0.00 179.25 180.67 1pnl h GLU 468 N 0.71 0.00 0.00 0.00 5.08 -2.01 -2.53 114.58 115.82 1pnl h GLU 468 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1pnl h GLU 468 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1pnl h GLU 468 CO -0.36 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.04 1pnl n GLU 469 N -2.54 0.12 -1.72 2.33 1.02 0.50 -4.87 120.64 115.48 1pnl n GLU 469 Ca -0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 1pnl n GLU 469 Cb 0.12 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 1pnl n GLU 469 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1pnl n THR 470 N -1.44 0.53 -4.35 2.62 -1.04 -0.96 -4.87 114.28 104.77 1pnl n THR 470 Ca 0.09 -0.13 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 1pnl n THR 470 Cb 0.31 -1.90 -0.12 0.00 -1.82 0.00 0.00 70.33 66.81 1pnl n THR 470 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1pnl s ARG 471 N 0.27 1.73 -0.07 -2.82 1.81 -0.63 -4.98 118.95 114.26 1pnl s ARG 471 Ca 0.70 -1.20 0.04 0.00 -1.72 0.00 0.00 55.73 53.55 1pnl s ARG 471 Cb -0.53 -2.07 -0.00 0.00 -0.45 0.00 0.00 34.95 31.90 1pnl s ARG 471 CO 0.41 0.48 -0.21 -1.01 -0.68 0.00 0.00 175.30 174.30 1pnl s HIS 472 N -1.11 2.14 -0.08 -0.53 3.76 -1.26 0.14 115.29 118.35 1pnl s HIS 472 Ca 0.17 -0.75 0.04 0.00 -0.15 0.00 0.00 55.06 54.36 1pnl s HIS 472 Cb -0.10 -1.44 -0.01 0.00 1.11 0.00 0.00 32.58 32.13 1pnl s HIS 472 CO 0.09 -0.29 -0.19 -1.14 -0.85 0.00 0.00 174.74 172.36 1pnl s GLN 473 N 0.21 2.80 0.13 1.40 0.74 0.18 -5.01 119.66 120.10 1pnl s GLN 473 Ca -0.11 -0.79 -0.16 0.00 0.05 0.00 0.00 55.36 54.35 1pnl s GLN 473 Cb -0.15 -2.35 -0.01 0.00 1.10 0.00 0.00 33.01 31.59 1pnl s GLN 473 CO 0.05 0.38 1.63 0.00 -0.55 0.00 0.00 175.29 176.80 1pnl h ALA 474 N 6.11 0.52 -2.80 1.58 0.00 -1.91 -1.88 119.26 120.88 1pnl h ALA 474 Ca -0.33 -0.19 -0.64 0.00 0.00 0.00 0.00 54.91 53.76 1pnl h ALA 474 Cb 1.19 -0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.66 1pnl h ALA 474 CO 0.50 0.19 -0.38 -2.00 0.00 0.00 0.00 179.25 177.56 1pnl s GLU 475 N -5.31 3.94 0.22 0.00 2.12 -1.26 -4.24 118.70 114.17 1pnl s GLU 475 Ca -0.13 -0.18 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 1pnl s GLU 475 Cb 0.10 -3.67 -0.10 0.00 0.26 0.00 0.00 34.13 30.72 1pnl s GLU 475 CO 0.77 -0.25 1.41 -0.47 -0.54 0.00 0.00 175.26 176.18 1pnl s TYR 476 N 1.91 3.10 -0.10 5.30 5.04 -0.79 -4.55 117.35 127.26 1pnl s TYR 476 Ca 0.11 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 1pnl s TYR 476 Cb -0.16 -3.76 0.02 0.00 0.35 0.00 0.00 41.96 38.41 1pnl s TYR 476 CO 0.11 -2.50 -0.08 -0.65 -1.34 0.00 0.00 175.55 171.09 1pnl s GLN 477 N -0.13 1.50 -1.27 4.97 -0.21 -1.26 -4.89 119.66 118.37 1pnl s GLN 477 Ca 0.60 -0.27 -0.15 0.00 0.02 0.00 0.00 55.36 55.56 1pnl s GLN 477 Cb -0.40 -1.49 0.12 0.00 1.00 0.00 0.00 33.01 32.24 1pnl s GLN 477 CO 0.40 -0.20 1.64 -1.71 -2.12 0.00 0.00 175.29 173.30 1pnl n ASN 478 N 4.68 5.02 -3.37 5.90 5.15 -0.30 -4.90 115.26 127.45 1pnl n ASN 478 Ca -0.15 -2.96 -0.15 0.00 -0.60 0.00 0.00 54.58 50.72 1pnl n ASN 478 Cb 0.50 -1.64 -0.05 0.00 -0.53 0.00 0.00 39.78 38.06 1pnl n ASN 478 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pnl s ARG 479 N 2.63 1.82 0.62 1.20 1.70 -1.26 -3.87 118.95 121.79 1pnl s ARG 479 Ca 0.47 -1.77 -0.18 0.00 -0.47 0.00 0.00 55.73 53.78 1pnl s ARG 479 Cb 0.02 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 1pnl s ARG 479 CO 0.03 -0.73 1.26 0.20 -1.08 0.00 0.00 175.30 174.97 1pnl s GLY 480 N -3.24 2.81 0.40 3.88 0.00 -1.25 -4.77 107.32 105.14 1pnl s GLY 480 Ca 0.32 1.13 0.15 0.00 0.00 0.00 0.00 44.72 46.32 1pnl s GLY 480 CO 0.20 1.54 1.84 -0.84 0.00 0.00 0.00 173.10 175.84 1pnl h THR 481 N 0.70 0.68 -4.12 0.90 2.02 -0.68 -3.41 112.91 109.00 1pnl h THR 481 Ca -0.51 -0.16 -0.14 0.00 0.77 0.00 0.00 66.41 66.37 1pnl h THR 481 Cb 1.32 0.16 -0.17 0.00 -1.74 0.00 0.00 68.15 67.72 1pnl h THR 481 CO 0.54 0.09 -0.68 -1.83 0.37 0.00 0.00 175.52 174.01 1pnl s GLU 482 N -5.51 0.51 -0.03 6.66 4.04 -1.26 -4.68 118.70 118.43 1pnl s GLU 482 Ca -0.09 -0.98 0.03 0.00 0.04 0.00 0.00 54.97 53.97 1pnl s GLU 482 Cb 0.23 0.18 0.00 0.00 0.02 0.00 0.00 34.13 34.56 1pnl s GLU 482 CO 0.79 -0.09 -0.10 -0.80 -1.84 0.00 0.00 175.26 173.22 1pnl s ASN 483 N -2.37 1.26 0.01 0.83 -0.87 -1.26 -3.71 114.94 108.83 1pnl s ASN 483 Ca -0.02 -0.20 0.01 0.00 -1.57 0.00 0.00 52.86 51.09 1pnl s ASN 483 Cb 0.01 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.25 40.91 1pnl s ASN 483 CO -0.07 0.07 -0.05 1.51 -2.57 0.00 0.00 177.10 176.00 1pnl s ASP 484 N 0.16 0.51 -0.04 -1.22 -4.77 -0.92 -2.71 116.67 107.68 1pnl s ASP 484 Ca -0.03 -0.28 0.02 0.00 -3.30 0.00 0.00 52.55 48.96 1pnl s ASP 484 Cb -0.08 0.00 0.01 0.00 -1.09 0.00 0.00 42.92 41.76 1pnl s ASP 484 CO 0.00 -0.09 -0.07 -0.32 0.70 0.00 0.00 175.17 175.40 1pnl s MET 485 N -0.76 0.92 -0.15 2.11 1.75 -0.28 -1.96 119.30 120.94 1pnl s MET 485 Ca -0.05 -0.20 0.02 0.00 -1.25 0.00 0.00 55.69 54.22 1pnl s MET 485 Cb -0.05 -0.87 0.01 0.00 2.84 0.00 0.00 34.83 36.76 1pnl s MET 485 CO -0.00 -0.00 -0.21 0.42 -0.65 0.00 0.00 175.02 174.57 1pnl s ILE 486 N 0.61 2.05 -0.25 10.11 1.09 -0.48 -0.61 121.20 133.73 1pnl s ILE 486 Ca -0.09 -0.96 -0.01 0.00 -1.10 0.00 0.00 60.65 58.48 1pnl s ILE 486 Cb -0.12 -1.83 0.03 0.00 -1.06 0.00 0.00 42.46 39.48 1pnl s ILE 486 CO 0.01 0.55 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.64 1pnl s VAL 487 N 0.96 2.80 -0.12 2.92 1.01 0.91 -1.43 120.40 127.45 1pnl s VAL 487 Ca -0.03 -1.12 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 1pnl s VAL 487 Cb -0.15 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1pnl s VAL 487 CO -0.05 0.15 0.27 -0.36 0.00 0.00 0.00 175.10 175.11 1pnl s PHE 488 N 1.30 3.55 -1.16 5.22 0.08 -0.62 -1.04 117.98 125.30 1pnl s PHE 488 Ca -0.01 0.64 -0.12 0.00 0.12 0.00 0.00 56.93 57.56 1pnl s PHE 488 Cb -0.17 -2.22 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 1pnl s PHE 488 CO -0.04 0.44 0.79 0.43 -0.10 0.00 0.00 175.22 176.74 1pnl n SER 489 N 2.83 -4.52 -4.70 1.36 7.64 0.13 -0.87 113.62 115.49 1pnl n SER 489 Ca -0.14 -0.90 -0.39 0.00 1.01 0.00 0.00 58.87 58.45 1pnl n SER 489 Cb 0.53 -3.98 0.04 0.00 -1.01 0.00 0.00 64.21 59.79 1pnl n SER 489 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1pnl n PRO 490 N -3.98 1.47 0.03 1.43 -0.04 -1.26 -3.94 135.00 128.71 1pnl n PRO 490 Ca -0.14 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 1pnl n PRO 490 Cb 0.62 -2.42 0.09 0.00 -0.04 0.00 0.00 33.50 31.75 1pnl n PRO 490 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1pnl n THR 491 N -1.13 0.18 0.57 0.52 -2.24 -0.91 -4.05 114.28 107.22 1pnl n THR 491 Ca 0.11 -0.20 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 1pnl n THR 491 Cb 0.45 0.16 0.34 0.00 -2.10 0.00 0.00 70.33 69.18 1pnl n THR 491 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1pnl h THR 492 N 0.00 0.00 -4.52 4.28 1.35 -1.90 -3.47 112.91 108.65 1pnl h THR 492 Ca 0.00 -0.54 -0.25 0.00 -0.55 0.00 0.00 66.41 65.07 1pnl h THR 492 Cb 0.69 1.47 -0.14 0.00 -1.73 0.00 0.00 68.15 68.44 1pnl h THR 492 CO 0.00 0.00 -0.55 -0.55 -0.25 0.00 0.00 175.52 174.17 1pnl s SER 493 N -4.68 0.30 0.04 5.36 0.15 -1.26 -5.03 113.70 108.59 1pnl s SER 493 Ca 0.09 -1.39 0.23 0.00 0.70 0.00 0.00 55.95 55.59 1pnl s SER 493 Cb 0.12 0.42 -0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1pnl s SER 493 CO 0.63 -0.90 0.97 -0.90 1.20 0.00 0.00 173.24 174.24 1pnl n ASP 494 N -0.43 0.60 -4.74 5.45 5.68 -1.26 -4.81 116.55 117.03 1pnl n ASP 494 Ca 0.02 -0.23 -0.40 0.00 -0.50 0.00 0.00 54.79 53.69 1pnl n ASP 494 Cb 0.65 0.90 -0.05 0.00 -1.14 0.00 0.00 41.12 41.48 1pnl n ASP 494 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1pnl s ARG 495 N -3.21 4.44 0.49 0.11 0.52 -1.26 -4.99 118.95 115.05 1pnl s ARG 495 Ca 0.03 0.94 0.29 0.00 -0.52 0.00 0.00 55.73 56.46 1pnl s ARG 495 Cb 0.14 -3.38 1.02 0.00 0.52 0.00 0.00 34.95 33.24 1pnl s ARG 495 CO 0.81 0.24 1.86 -1.00 0.02 0.00 0.00 175.30 177.23 1pnl h PRO 496 N 5.99 0.00 -3.65 3.54 0.13 -1.91 -3.37 132.00 132.73 1pnl h PRO 496 Ca -0.43 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.50 1pnl h PRO 496 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 1pnl h PRO 496 CO 0.72 0.07 -0.63 0.08 -0.23 0.00 0.00 178.00 178.00 1pnl s VAL 497 N -3.55 0.03 -0.01 1.56 1.01 -1.26 0.21 120.40 118.39 1pnl s VAL 497 Ca 0.02 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1pnl s VAL 497 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.29 1pnl s VAL 497 CO 0.60 -0.15 -0.05 -0.76 0.00 0.00 0.00 175.10 174.73 1pnl s LEU 498 N -0.46 1.81 -0.00 3.92 1.43 -0.21 -5.01 118.68 120.15 1pnl s LEU 498 Ca -0.05 -0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1pnl s LEU 498 Cb -0.03 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.85 1pnl s LEU 498 CO 0.00 0.04 0.12 0.00 0.23 0.00 0.00 176.35 176.74 1pnl s ALA 499 N 0.16 -0.28 0.04 4.21 0.00 -1.26 -0.06 121.76 124.58 1pnl s ALA 499 Ca -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1pnl s ALA 499 Cb -0.06 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1pnl s ALA 499 CO -0.00 -0.18 0.05 -1.58 0.00 0.00 0.00 175.76 174.05 1pnl s TRP 500 N -1.16 0.30 0.23 0.00 0.51 0.22 -1.45 118.94 117.59 1pnl s TRP 500 Ca -0.13 -0.68 -0.06 0.00 -2.12 0.00 0.00 56.10 53.11 1pnl s TRP 500 Cb -0.07 -0.21 0.03 0.00 -0.81 0.00 0.00 33.47 32.40 1pnl s TRP 500 CO 0.01 -0.36 0.42 -0.40 -0.51 0.00 0.00 176.95 176.11 1pnl n ASP 501 N 0.62 -1.22 -3.65 2.95 5.75 -0.69 -1.13 116.55 119.19 1pnl n ASP 501 Ca -0.18 -2.04 -0.05 0.00 -0.01 0.00 0.00 54.79 52.52 1pnl n ASP 501 Cb 0.59 2.09 -0.06 0.00 -1.03 0.00 0.00 41.12 42.71 1pnl n ASP 501 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pnl s VAL 502 N -2.52 -0.58 -0.39 2.12 0.11 -1.10 -1.51 120.40 116.52 1pnl s VAL 502 Ca 0.12 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 1pnl s VAL 502 Cb -0.02 -0.92 0.12 0.00 -1.53 0.00 0.00 36.38 34.03 1pnl s VAL 502 CO 0.09 0.01 0.19 -0.69 -3.33 0.00 0.00 175.10 171.37 1pnl s VAL 503 N 2.37 1.25 0.04 2.04 1.01 -1.26 -4.03 120.40 121.82 1pnl s VAL 503 Ca -0.07 -2.18 -0.00 0.00 0.00 0.00 0.00 61.98 59.73 1pnl s VAL 503 Cb -0.10 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1pnl s VAL 503 CO -0.18 -0.82 0.17 0.00 0.00 0.00 0.00 175.10 174.27 1pnl s ALA 504 N 0.77 3.88 0.23 5.51 0.00 -1.26 -2.80 121.76 128.09 1pnl s ALA 504 Ca 0.15 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 1pnl s ALA 504 Cb -0.22 -1.75 0.23 0.00 0.00 0.00 0.00 23.12 21.37 1pnl s ALA 504 CO -0.07 0.78 1.75 -1.35 0.00 0.00 0.00 175.76 176.87 1pnl h PRO 505 N 3.41 1.01 -2.57 0.00 0.11 -1.84 -3.36 132.00 128.76 1pnl h PRO 505 Ca -0.47 -0.24 0.16 0.00 0.11 0.00 0.00 66.00 65.57 1pnl h PRO 505 Cb 1.17 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1pnl h PRO 505 CO 0.71 0.91 0.60 0.20 -0.21 0.00 0.00 178.00 180.20 1pnl s GLY 506 N -3.55 0.15 0.22 -0.55 0.00 -1.12 -0.76 107.32 101.72 1pnl s GLY 506 Ca -0.11 -0.39 -0.06 0.00 0.00 0.00 0.00 44.72 44.16 1pnl s GLY 506 CO 0.83 2.79 1.76 -1.61 0.00 0.00 0.00 173.10 176.87 1pnl h GLN 507 N 2.00 1.09 -6.16 2.90 5.75 -1.60 -3.40 115.11 115.69 1pnl h GLN 507 Ca -0.28 -0.23 -0.67 0.00 -0.15 0.00 0.00 58.65 57.32 1pnl h GLN 507 Cb 1.22 -0.16 -0.15 0.00 1.07 0.00 0.00 27.48 29.45 1pnl h GLN 507 CO 0.37 0.93 -0.66 0.45 -2.65 0.00 0.00 178.83 177.28 1pnl s SER 508 N -6.45 4.98 -0.04 -0.69 0.15 -0.90 -4.90 113.70 105.85 1pnl s SER 508 Ca -0.12 -0.02 0.12 0.00 0.70 0.00 0.00 55.95 56.64 1pnl s SER 508 Cb 0.15 -1.28 0.37 0.00 -1.71 0.00 0.00 66.02 63.55 1pnl s SER 508 CO 0.83 0.30 1.30 0.61 1.20 0.00 0.00 173.24 177.49 1pnl n GLY 509 N 1.61 3.01 3.71 9.45 0.00 -1.26 -3.82 105.19 117.89 1pnl n GLY 509 Ca -0.16 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1pnl n GLY 509 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pnl s PHE 510 N -1.37 3.39 -0.18 1.61 5.36 -1.26 -4.98 117.98 120.54 1pnl s PHE 510 Ca 0.28 1.22 -0.00 0.00 -0.96 0.00 0.00 56.93 57.47 1pnl s PHE 510 Cb 0.17 -3.49 0.04 0.00 -0.34 0.00 0.00 43.02 39.41 1pnl s PHE 510 CO 0.15 -1.56 -0.06 0.42 -1.46 0.00 0.00 175.22 172.71 1pnl s ILE 511 N 1.02 1.28 0.99 3.12 1.01 -1.26 -0.75 121.20 126.60 1pnl s ILE 511 Ca 0.60 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 1pnl s ILE 511 Cb -0.32 -1.45 0.19 0.00 0.01 0.00 0.00 42.46 40.89 1pnl s ILE 511 CO 0.30 0.10 1.09 0.00 0.00 0.00 0.00 174.94 176.43 1pnl s ALA 512 N 1.55 0.87 0.53 9.38 0.00 0.18 -4.86 121.76 129.41 1pnl s ALA 512 Ca -0.01 0.23 0.18 0.00 0.00 0.00 0.00 51.96 52.37 1pnl s ALA 512 Cb -0.16 -3.33 1.34 0.00 0.00 0.00 0.00 23.12 20.97 1pnl s ALA 512 CO -0.08 -3.01 2.14 -1.35 0.00 0.00 0.00 175.76 173.46 1pnl h PRO 513 N -2.04 0.00 0.00 0.00 0.11 -2.01 -1.32 132.00 126.73 1pnl h PRO 513 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pnl h PRO 513 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1pnl h PRO 513 CO 0.47 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.86 1pnl n ASP 514 N -4.45 0.00 0.00 -2.05 5.75 -1.26 -4.89 116.55 109.65 1pnl n ASP 514 Ca -0.01 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.10 1pnl n ASP 514 Cb 0.16 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 1pnl n ASP 514 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pnl n GLY 515 N 1.29 1.08 3.54 6.12 0.00 -0.50 -5.05 105.19 111.67 1pnl n GLY 515 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1pnl n GLY 515 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pnl s THR 516 N -2.00 4.88 0.19 2.61 2.01 -1.25 -4.82 115.64 117.26 1pnl s THR 516 Ca 0.00 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 1pnl s THR 516 Cb 0.00 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.30 1pnl s THR 516 CO 0.00 -0.45 1.11 -0.69 -0.69 0.00 0.00 174.62 173.90 1pnl s VAL 517 N 2.72 3.79 0.75 3.82 1.01 -1.26 0.50 120.40 131.73 1pnl s VAL 517 Ca 0.23 1.56 -0.15 0.00 0.00 0.00 0.00 61.98 63.62 1pnl s VAL 517 Cb -0.14 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1pnl s VAL 517 CO 0.17 0.28 1.13 -0.67 0.00 0.00 0.00 175.10 176.01 1pnl n ASP 518 N 2.26 1.01 0.25 3.32 2.03 0.07 -4.90 116.55 120.59 1pnl n ASP 518 Ca 0.02 0.66 0.10 0.00 0.52 0.00 0.00 54.79 56.10 1pnl n ASP 518 Cb 0.46 -1.48 0.67 0.00 -0.72 0.00 0.00 41.12 40.05 1pnl n ASP 518 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1pnl h LYS 519 N -0.40 0.00 -0.49 -0.67 3.64 -1.96 -2.76 116.57 113.94 1pnl h LYS 519 Ca -0.48 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.73 1pnl h LYS 519 Cb 1.32 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.03 1pnl h LYS 519 CO 0.47 0.13 0.11 0.72 -2.27 0.00 0.00 179.45 178.61 1pnl n HIS 520 N -3.90 1.57 0.08 1.91 8.25 -1.26 -4.59 115.22 117.29 1pnl n HIS 520 Ca -0.02 -1.34 -0.09 0.00 -0.26 0.00 0.00 57.72 56.01 1pnl n HIS 520 Cb 0.22 -0.54 0.02 0.00 1.12 0.00 0.00 29.99 30.81 1pnl n HIS 520 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1pnl h TYR 521 N 1.57 0.35 -0.08 4.41 3.20 -1.59 -2.27 116.97 122.56 1pnl h TYR 521 Ca 0.22 -0.18 -0.17 0.00 3.14 0.00 0.00 58.73 61.74 1pnl h TYR 521 Cb 1.89 -0.05 -0.23 0.00 1.54 0.00 0.00 36.73 39.88 1pnl h TYR 521 CO 1.00 0.96 -0.57 -0.85 -1.64 0.00 0.00 178.16 177.06 1pnl n GLU 522 N -3.72 0.81 -0.07 1.82 0.28 -1.26 -3.23 120.64 115.27 1pnl n GLU 522 Ca -0.04 -1.73 0.09 0.00 -0.16 0.00 0.00 57.16 55.33 1pnl n GLU 522 Cb 0.76 -0.02 0.38 0.00 1.43 0.00 0.00 31.44 34.00 1pnl n GLU 522 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1pnl n ASP 523 N -0.58 1.25 -0.16 -1.84 5.75 -1.21 -3.58 116.55 116.18 1pnl n ASP 523 Ca -0.12 -1.68 0.02 0.00 -0.01 0.00 0.00 54.79 53.00 1pnl n ASP 523 Cb 0.86 -0.09 0.02 0.00 -1.03 0.00 0.00 41.12 40.88 1pnl n ASP 523 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pnl n GLN 524 N 0.06 -0.22 -0.13 0.11 6.02 0.06 -4.77 117.38 118.52 1pnl n GLN 524 Ca 0.15 -0.80 -0.10 0.00 -0.01 0.00 0.00 57.00 56.24 1pnl n GLN 524 Cb 0.26 -1.07 -0.02 0.00 1.02 0.00 0.00 30.24 30.42 1pnl n GLN 524 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1pnl h LEU 525 N 0.74 0.59 -0.27 1.08 5.85 -1.51 -2.30 115.31 119.50 1pnl h LEU 525 Ca 0.00 -0.26 -0.21 0.00 0.84 0.00 0.00 57.88 58.25 1pnl h LEU 525 Cb 0.19 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1pnl h LEU 525 CO 0.00 0.70 -0.82 0.11 -0.34 0.00 0.00 178.44 178.10 1pnl h LYS 526 N 0.46 0.50 -0.78 1.25 1.79 -1.86 -2.81 116.57 115.12 1pnl h LYS 526 Ca 0.11 -0.45 0.04 0.00 -2.18 0.00 0.00 60.65 58.18 1pnl h LYS 526 Cb 0.36 0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 31.06 1pnl h LYS 526 CO 0.01 1.09 0.49 1.98 -1.08 0.00 0.00 179.45 181.93 1pnl h MET 527 N 0.32 0.90 0.48 3.15 1.85 -1.84 -2.39 114.93 117.40 1pnl h MET 527 Ca -0.05 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 58.97 1pnl h MET 527 Cb 1.42 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 33.23 1pnl h MET 527 CO 0.15 0.60 -0.47 -0.92 -0.40 0.00 0.00 176.91 175.87 1pnl h TYR 528 N 0.93 -1.29 -0.90 1.39 3.20 -1.24 0.23 116.97 119.28 1pnl h TYR 528 Ca 0.33 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.35 1pnl h TYR 528 Cb 0.08 0.50 -0.09 0.00 1.54 0.00 0.00 36.73 38.76 1pnl h TYR 528 CO -0.04 -0.63 0.50 1.49 -1.64 0.00 0.00 178.16 177.85 1pnl h GLU 529 N -0.94 0.69 -0.84 1.82 4.81 -1.29 -2.05 114.58 116.77 1pnl h GLU 529 Ca -0.06 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 58.90 1pnl h GLU 529 Cb 0.81 -0.16 -0.13 0.00 0.63 0.00 0.00 28.75 29.90 1pnl h GLU 529 CO -0.05 0.46 0.29 0.27 -0.73 0.00 0.00 179.01 179.24 1pnl n ASN 530 N -4.81 4.21 -1.54 1.04 0.23 -0.92 -4.91 115.26 108.56 1pnl n ASN 530 Ca 0.18 -3.05 -0.16 0.00 -0.53 0.00 0.00 54.58 51.02 1pnl n ASN 530 Cb 0.44 -0.72 -0.03 0.00 -2.08 0.00 0.00 39.78 37.39 1pnl n ASN 530 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1pnl n PHE 531 N -0.21 -0.44 -2.01 -2.53 3.72 -0.77 -5.00 117.46 110.22 1pnl n PHE 531 Ca 0.37 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.47 1pnl n PHE 531 Cb 1.26 -3.02 0.19 0.00 -0.94 0.00 0.00 39.48 36.96 1pnl n PHE 531 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1pnl s GLY 532 N -2.52 1.79 -0.09 1.37 0.00 0.06 -5.04 107.32 102.89 1pnl s GLY 532 Ca 0.00 -1.31 -0.30 0.00 0.00 0.00 0.00 44.72 43.11 1pnl s GLY 532 CO 0.00 -0.54 0.85 1.09 0.00 0.00 0.00 173.10 174.50 1pnl s ARG 533 N -5.84 0.82 -0.03 2.90 1.70 -1.26 -4.70 118.95 112.55 1pnl s ARG 533 Ca 0.74 0.13 0.03 0.00 -0.47 0.00 0.00 55.73 56.16 1pnl s ARG 533 Cb -0.03 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1pnl s ARG 533 CO 0.52 -0.27 -0.10 -1.59 -1.08 0.00 0.00 175.30 172.78 1pnl s LYS 534 N -1.41 2.53 0.32 3.89 -2.85 -0.57 -4.95 119.74 116.70 1pnl s LYS 534 Ca -0.05 -0.70 -0.29 0.00 -1.00 0.00 0.00 55.97 53.94 1pnl s LYS 534 Cb -0.00 -2.46 -0.10 0.00 -2.06 0.00 0.00 37.83 33.21 1pnl s LYS 534 CO 0.03 0.62 1.31 -1.12 0.10 0.00 0.00 175.35 176.29 1pnl s SER 535 N -1.08 6.78 -0.19 0.03 0.01 -1.26 -1.70 113.70 116.30 1pnl s SER 535 Ca 0.14 2.66 -0.08 0.00 1.31 0.00 0.00 55.95 59.98 1pnl s SER 535 Cb -0.11 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 1pnl s SER 535 CO 0.04 -0.54 0.09 -0.76 0.41 0.00 0.00 173.24 172.48 1pnl s LEU 536 N -1.60 4.00 -0.09 2.44 1.43 -0.53 -4.87 118.68 119.46 1pnl s LEU 536 Ca 0.50 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 1pnl s LEU 536 Cb -0.40 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1pnl s LEU 536 CO 0.51 0.19 0.07 0.26 0.23 0.00 0.00 176.35 177.60 1pnl s TRP 537 N 0.31 3.36 0.03 0.29 0.52 -1.26 -4.47 118.94 117.72 1pnl s TRP 537 Ca 0.06 0.34 -0.03 0.00 0.02 0.00 0.00 56.10 56.49 1pnl s TRP 537 Cb -0.12 -1.85 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 1pnl s TRP 537 CO -0.01 0.59 -0.05 -0.11 0.02 0.00 0.00 176.95 177.39 1pnl n LEU 538 N 1.99 0.96 -4.75 2.99 7.94 -1.26 -4.74 117.00 120.13 1pnl n LEU 538 Ca -0.19 0.13 -0.35 0.00 -1.11 0.00 0.00 56.01 54.50 1pnl n LEU 538 Cb 0.54 -0.34 0.06 0.00 0.53 0.00 0.00 43.42 44.21 1pnl n LEU 538 CO 0.30 -0.62 0.81 0.42 -1.11 0.00 0.00 177.39 177.18 1pnl s THR 539 N -1.89 2.65 0.19 1.96 -4.23 -1.26 -4.86 115.64 108.20 1pnl s THR 539 Ca -0.04 0.35 -0.12 0.00 -1.18 0.00 0.00 61.69 60.70 1pnl s THR 539 Cb 0.01 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.95 1pnl s THR 539 CO 0.06 -0.14 1.83 0.11 -0.54 0.00 0.00 174.62 175.94 1pnl h LYS 540 N 0.32 0.70 -0.87 3.99 1.57 -1.98 -0.56 116.57 119.74 1pnl h LYS 540 Ca -0.49 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 1pnl h LYS 540 Cb 1.29 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 1pnl h LYS 540 CO 0.53 0.47 0.49 0.37 -0.57 0.00 0.00 179.45 180.74 1pnl h GLN 541 N 0.73 1.21 -0.21 3.15 4.15 -1.98 0.49 115.11 122.64 1pnl h GLN 541 Ca 0.24 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1pnl h GLN 541 Cb 0.02 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1pnl h GLN 541 CO -0.10 0.87 -0.03 -0.44 -1.93 0.00 0.00 178.83 177.20 1pnl h ASP 542 N 1.21 0.39 -0.37 -0.69 3.32 -1.80 0.23 116.42 118.71 1pnl h ASP 542 Ca 0.31 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1pnl h ASP 542 Cb 0.00 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1pnl h ASP 542 CO -0.05 0.64 0.23 0.58 -1.72 0.00 0.00 179.24 178.92 1pnl h VAL 543 N 0.13 1.11 -0.16 -1.35 2.07 -0.77 -1.27 116.25 116.01 1pnl h VAL 543 Ca 0.06 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1pnl h VAL 543 Cb 0.46 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1pnl h VAL 543 CO 0.02 0.11 0.09 -0.33 0.02 0.00 0.00 177.57 177.48 1pnl h GLU 544 N 0.49 0.22 -0.57 1.57 4.39 0.12 -1.07 114.58 119.74 1pnl h GLU 544 Ca 0.13 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.93 1pnl h GLU 544 Cb -0.03 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1pnl h GLU 544 CO -0.03 0.21 0.39 0.00 -1.16 0.00 0.00 179.01 178.41 1pnl h ALA 545 N 1.00 2.15 -0.30 3.43 0.00 -0.37 -2.85 119.26 122.33 1pnl h ALA 545 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pnl h ALA 545 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pnl h ALA 545 CO -0.01 -0.29 0.00 0.72 0.00 0.00 0.00 179.25 179.67 1pnl n HIS 546 N -4.45 0.46 -1.76 0.00 8.25 -0.50 -5.05 115.22 112.17 1pnl n HIS 546 Ca 0.10 -0.54 -0.40 0.00 -0.26 0.00 0.00 57.72 56.61 1pnl n HIS 546 Cb 0.44 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.50 1pnl n HIS 546 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1pnl n LYS 547 N 0.29 2.31 -0.00 -0.41 4.81 -0.44 -4.93 118.16 119.79 1pnl n LYS 547 Ca 0.11 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 1pnl n LYS 547 Cb 0.45 -2.63 -0.00 0.00 0.02 0.00 0.00 35.03 32.88 1pnl n LYS 547 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1pnl n GLU 548 N -0.08 2.99 -3.56 1.64 0.28 -1.26 -5.07 120.64 115.58 1pnl n GLU 548 Ca 0.05 -0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.97 1pnl n GLU 548 Cb 0.41 -0.80 -0.03 0.00 1.43 0.00 0.00 31.44 32.45 1pnl n GLU 548 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1pnl s SER 549 N -1.62 -0.26 -0.01 -1.84 1.04 -1.26 -5.18 113.70 104.58 1pnl s SER 549 Ca -0.00 0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.52 1pnl s SER 549 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1pnl s SER 549 CO 0.02 -0.39 -0.04 -1.58 0.98 0.00 0.00 173.24 172.23 1pnl s GLN 550 N -2.37 0.36 -0.04 4.02 0.74 -1.26 -5.15 119.66 115.96 1pnl s GLN 550 Ca 0.06 -0.13 -0.01 0.00 0.05 0.00 0.00 55.36 55.33 1pnl s GLN 550 Cb -0.01 -0.37 0.03 0.00 1.10 0.00 0.00 33.01 33.76 1pnl s GLN 550 CO -0.05 0.06 0.04 -2.00 -0.55 0.00 0.00 175.29 172.79 1pnl s GLU 551 N 0.04 0.00 -0.11 1.67 2.12 -1.26 -5.15 118.70 116.01 1pnl s GLU 551 Ca -0.00 0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.63 1pnl s GLU 551 Cb -0.03 -0.46 -0.01 0.00 0.26 0.00 0.00 34.13 33.89 1pnl s GLU 551 CO -0.00 -0.27 -0.17 0.08 -0.54 0.00 0.00 175.26 174.36 1pnl s VAL 552 N 1.75 2.73 0.07 3.70 1.01 -1.26 -5.13 120.40 123.27 1pnl s VAL 552 Ca -0.00 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.28 1pnl s VAL 552 Cb -0.12 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1pnl s VAL 552 CO -0.03 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 174.62 1pnl s LEU 553 N 0.25 2.37 -0.27 3.92 1.43 -1.26 -5.10 118.68 120.03 1pnl s LEU 553 Ca -0.11 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1pnl s LEU 553 Cb -0.16 -1.36 0.08 0.00 0.03 0.00 0.00 46.19 44.78 1pnl s LEU 553 CO 0.06 0.23 0.02 -1.00 0.23 0.00 0.00 176.35 175.90 1pnl s HIS 554 N -0.92 2.20 0.01 0.29 3.76 -1.26 -5.11 115.29 114.25 1pnl s HIS 554 Ca 0.14 -1.83 0.02 0.00 -0.15 0.00 0.00 55.06 53.24 1pnl s HIS 554 Cb -0.10 -1.76 -0.01 0.00 1.11 0.00 0.00 32.58 31.82 1pnl s HIS 554 CO 0.05 -0.81 -0.07 0.08 -0.85 0.00 0.00 174.74 173.13 1pnl s VAL 555 N 1.45 0.54 -0.00 -0.90 1.01 -1.26 -5.15 120.40 116.09 1pnl s VAL 555 Ca 0.03 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1pnl s VAL 555 Cb -0.18 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1pnl s VAL 555 CO -0.13 0.03 -0.09 -1.10 0.00 0.00 0.00 175.10 173.82 1pnl s GLN 556 N -0.48 0.68 0.00 2.72 -1.52 -1.26 -5.35 119.66 114.45 1pnl s GLN 556 Ca -0.00 -0.34 0.11 0.00 -1.95 0.00 0.00 55.36 53.17 1pnl s GLN 556 Cb -0.04 -0.65 0.63 0.00 -0.22 0.00 0.00 33.01 32.73 1pnl s GLN 556 CO -0.00 0.18 1.07 -2.13 -0.25 0.00 0.00 175.29 174.16