#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dla n MET 1 N 0.00 1.54 -2.21 -1.46 -0.00 -1.26 -4.91 117.12 108.83 3dla n MET 1 Ca 0.00 0.55 -0.40 0.00 -0.00 0.00 0.00 57.70 57.85 3dla n MET 1 Cb 0.00 -2.17 -0.03 0.00 -0.00 0.00 0.00 33.22 31.02 3dla n MET 1 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3dla s ASN 2 N -0.68 5.68 0.55 3.17 3.84 -1.26 -4.87 114.94 121.36 3dla s ASN 2 Ca 0.63 0.25 0.26 0.00 0.21 0.00 0.00 52.86 54.21 3dla s ASN 2 Cb -0.54 -2.54 1.46 0.00 -0.55 0.00 0.00 41.25 39.09 3dla s ASN 2 CO 0.57 -2.08 2.02 0.15 -2.79 0.00 0.00 177.10 174.97 3dla h PHE 3 N 13.00 0.00 -0.06 0.43 3.57 -1.91 -2.55 116.94 129.42 3dla h PHE 3 Ca -0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.23 3dla h PHE 3 Cb 1.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.87 3dla h PHE 3 CO 1.05 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 177.79 3dla n TYR 4 N -4.16 0.06 -2.86 0.41 4.01 -1.26 -4.85 117.16 108.52 3dla n TYR 4 Ca 0.06 -0.03 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 3dla n TYR 4 Cb 0.50 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.49 3dla n TYR 4 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3dla s SER 5 N -1.89 6.85 0.57 7.72 0.15 -0.96 -4.32 113.70 121.81 3dla s SER 5 Ca 0.36 1.04 0.31 0.00 0.70 0.00 0.00 55.95 58.35 3dla s SER 5 Cb 0.20 -2.45 1.72 0.00 -1.71 0.00 0.00 66.02 63.78 3dla s SER 5 CO 0.31 -0.56 2.18 0.00 1.20 0.00 0.00 173.24 176.38 3dla h ALA 6 N 7.71 1.33 -0.23 5.45 0.00 -1.83 -2.58 119.26 129.12 3dla h ALA 6 Ca -0.23 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 3dla h ALA 6 Cb 1.09 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.87 3dla h ALA 6 CO 0.89 0.07 -0.66 1.88 0.00 0.00 0.00 179.25 181.43 3dla h TYR 7 N 0.00 1.10 0.00 0.00 0.05 -1.85 -0.45 116.97 115.82 3dla h TYR 7 Ca -0.00 -0.44 0.00 0.00 0.05 0.00 0.00 58.73 58.34 3dla h TYR 7 Cb 0.17 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.72 3dla h TYR 7 CO 0.00 1.27 0.00 1.96 -1.05 0.00 0.00 178.16 180.34 3dla h GLN 8 N 0.61 0.00 -0.51 4.88 4.20 -1.78 -2.93 115.11 119.59 3dla h GLN 8 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3dla h GLN 8 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3dla h GLN 8 CO 0.14 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 179.02 3dla n HIS 9 N -2.30 1.41 -0.21 2.96 8.25 -1.07 -4.93 115.22 119.33 3dla n HIS 9 Ca 0.02 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.78 3dla n HIS 9 Cb 0.21 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.01 3dla n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dla n GLY 10 N 0.53 0.89 3.88 -1.41 0.00 -1.11 -4.91 105.19 103.07 3dla n GLY 10 Ca 0.24 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3dla n GLY 10 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dla s PHE 11 N -2.00 3.54 -0.15 1.61 0.40 -0.20 -1.24 117.98 119.94 3dla s PHE 11 Ca 0.00 0.65 0.02 0.00 -0.60 0.00 0.00 56.93 57.00 3dla s PHE 11 Cb 0.00 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.48 3dla s PHE 11 CO 0.00 0.50 -0.20 0.54 0.70 0.00 0.00 175.22 176.76 3dla s VAL 12 N -1.49 1.98 -0.15 -0.44 0.11 -0.43 -4.33 120.40 115.65 3dla s VAL 12 Ca 0.35 -0.91 -0.28 0.00 -2.93 0.00 0.00 61.98 58.21 3dla s VAL 12 Cb -0.13 -1.77 -0.01 0.00 -1.53 0.00 0.00 36.38 32.94 3dla s VAL 12 CO 0.20 0.53 0.96 -0.60 -3.33 0.00 0.00 175.10 172.86 3dla s ARG 13 N 1.03 4.35 -0.04 1.54 3.52 -1.26 -0.69 118.95 127.40 3dla s ARG 13 Ca -0.02 1.26 0.03 0.00 -0.13 0.00 0.00 55.73 56.87 3dla s ARG 13 Cb -0.14 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 3dla s ARG 13 CO -0.06 -0.38 -0.13 0.08 -0.81 0.00 0.00 175.30 173.99 3dla s VAL 14 N 2.29 1.15 -0.06 7.11 1.01 -0.39 0.21 120.40 131.72 3dla s VAL 14 Ca 0.44 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.92 3dla s VAL 14 Cb -0.17 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3dla s VAL 14 CO 0.14 0.34 -0.22 0.00 0.00 0.00 0.00 175.10 175.36 3dla s ALA 15 N 0.14 1.92 -0.23 5.51 0.00 0.34 -1.37 121.76 128.07 3dla s ALA 15 Ca -0.04 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 3dla s ALA 15 Cb -0.11 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 3dla s ALA 15 CO 0.02 0.35 0.03 0.00 0.00 0.00 0.00 175.76 176.15 3dla s ALA 16 N -0.01 3.06 -0.06 0.00 0.00 0.06 -1.05 121.76 123.76 3dla s ALA 16 Ca -0.06 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.85 3dla s ALA 16 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 3dla s ALA 16 CO 0.04 -0.36 -0.17 0.00 0.00 0.00 0.00 175.76 175.27 3dla s THR 18 N -0.49 2.95 0.56 0.00 -1.32 -0.09 -3.79 115.64 113.46 3dla s THR 18 Ca 0.06 -0.79 0.09 0.00 -1.21 0.00 0.00 61.69 59.84 3dla s THR 18 Cb -0.12 -2.40 0.08 0.00 -1.51 0.00 0.00 72.50 68.56 3dla s THR 18 CO 0.01 0.35 0.78 -1.38 -2.21 0.00 0.00 174.62 172.17 3dla s HIS 19 N 1.38 1.60 -0.41 9.09 -3.43 -1.26 -2.55 115.29 119.71 3dla s HIS 19 Ca 0.03 -0.66 -0.24 0.00 -0.80 0.00 0.00 55.06 53.40 3dla s HIS 19 Cb -0.15 -2.28 0.02 0.00 -1.43 0.00 0.00 32.58 28.74 3dla s HIS 19 CO -0.05 -1.10 0.82 -1.58 -2.00 0.00 0.00 174.74 170.83 3dla s HIS 20 N -2.66 3.04 -0.31 0.38 2.46 -1.26 -4.64 115.29 112.30 3dla s HIS 20 Ca 0.61 0.42 -0.29 0.00 0.47 0.00 0.00 55.06 56.28 3dla s HIS 20 Cb -0.06 -3.59 -0.00 0.00 -0.13 0.00 0.00 32.58 28.79 3dla s HIS 20 CO 0.39 -0.88 1.43 0.99 -2.47 0.00 0.00 174.74 174.20 3dla s THR 21 N 3.29 3.93 -0.62 0.89 2.01 -0.51 -4.69 115.64 119.94 3dla s THR 21 Ca 0.32 1.03 -0.18 0.00 0.31 0.00 0.00 61.69 63.17 3dla s THR 21 Cb -0.12 -4.03 0.12 0.00 0.01 0.00 0.00 72.50 68.47 3dla s THR 21 CO 0.20 -0.50 0.71 -0.89 -0.69 0.00 0.00 174.62 173.45 3dla s THR 22 N 4.99 4.91 0.44 -0.82 2.01 -1.26 -3.83 115.64 122.08 3dla s THR 22 Ca 0.62 -1.19 -0.25 0.00 0.31 0.00 0.00 61.69 61.18 3dla s THR 22 Cb -0.18 -4.49 -0.08 0.00 0.01 0.00 0.00 72.50 67.76 3dla s THR 22 CO 0.28 -1.12 1.37 0.27 -0.69 0.00 0.00 174.62 174.73 3dla s ILE 23 N 2.39 2.33 -1.28 1.82 -0.00 -1.26 -2.24 121.20 122.96 3dla s ILE 23 Ca 0.12 0.29 0.00 0.00 -0.00 0.00 0.00 60.65 61.06 3dla s ILE 23 Cb -0.23 -3.17 0.00 0.00 -0.00 0.00 0.00 42.46 39.06 3dla s ILE 23 CO 0.04 0.04 0.00 0.61 -0.00 0.00 0.00 174.94 175.63 3dla n GLY 24 N 0.62 1.27 2.48 6.27 0.00 -0.60 -4.97 105.19 110.25 3dla n GLY 24 Ca 0.05 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 3dla n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dla s ASP 25 N -2.70 1.30 0.24 1.61 -1.08 -0.95 -5.01 116.67 110.08 3dla s ASP 25 Ca 0.00 -2.62 -0.04 0.00 -0.52 0.00 0.00 52.55 49.36 3dla s ASP 25 Cb 0.00 -0.06 0.27 0.00 -1.46 0.00 0.00 42.92 41.67 3dla s ASP 25 CO 0.00 -0.19 1.77 -0.65 0.52 0.00 0.00 175.17 176.62 3dla h PRO 26 N 5.93 0.97 -0.52 4.34 0.11 -1.81 0.22 132.00 141.23 3dla h PRO 26 Ca 0.19 -0.22 0.03 0.00 0.11 0.00 0.00 66.00 66.11 3dla h PRO 26 Cb 0.96 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 3dla h PRO 26 CO 0.29 0.87 0.34 0.00 -0.21 0.00 0.00 178.00 179.30 3dla h ALA 27 N 1.22 1.73 0.15 -0.75 0.00 -1.84 0.31 119.26 120.09 3dla h ALA 27 Ca 0.20 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.79 3dla h ALA 27 Cb 0.34 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3dla h ALA 27 CO 0.00 0.22 -1.28 0.00 0.00 0.00 0.00 179.25 178.19 3dla h ALA 28 N 1.70 0.04 -0.74 0.00 0.00 -1.47 -2.34 119.26 116.45 3dla h ALA 28 Ca 0.21 -0.86 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 3dla h ALA 28 Cb 0.07 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3dla h ALA 28 CO -0.05 0.88 0.35 -0.91 0.00 0.00 0.00 179.25 179.51 3dla h ASN 29 N 0.11 0.97 -0.80 0.00 -0.26 -0.49 -2.56 115.58 112.54 3dla h ASN 29 Ca -0.16 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 3dla h ASN 29 Cb 1.99 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 38.96 3dla h ASN 29 CO 0.22 0.84 0.51 0.00 -1.06 0.00 0.00 177.43 177.94 3dla h ALA 30 N 1.17 1.38 0.00 -0.83 0.00 -0.42 -2.08 119.26 118.47 3dla h ALA 30 Ca 0.25 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3dla h ALA 30 Cb 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3dla h ALA 30 CO -0.03 0.56 -0.81 0.00 0.00 0.00 0.00 179.25 178.96 3dla h ALA 31 N 1.46 0.61 -0.35 0.00 0.00 -1.21 0.87 119.26 120.63 3dla h ALA 31 Ca 0.29 -0.74 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3dla h ALA 31 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3dla h ALA 31 CO -0.06 1.02 -0.06 1.03 0.00 0.00 0.00 179.25 181.17 3dla h SER 32 N 0.00 0.67 0.10 0.00 0.87 -1.30 -2.46 113.55 111.44 3dla h SER 32 Ca -0.01 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 3dla h SER 32 Cb 1.48 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 3dla h SER 32 CO 0.11 0.86 -0.05 0.58 -0.53 0.00 0.00 176.83 177.80 3dla h VAL 33 N 0.47 0.90 -0.65 2.23 2.07 -1.18 -1.85 116.25 118.23 3dla h VAL 33 Ca 0.09 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.67 3dla h VAL 33 Cb 0.56 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3dla h VAL 33 CO 0.03 0.00 0.43 0.25 0.02 0.00 0.00 177.57 178.31 3dla h LEU 34 N -0.15 0.56 -0.09 2.57 5.85 -0.81 0.26 115.31 123.50 3dla h LEU 34 Ca -0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3dla h LEU 34 Cb 0.11 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3dla h LEU 34 CO 0.02 0.36 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.65 3dla h ASP 35 N 0.64 0.20 -0.21 1.25 3.58 -1.05 -1.94 116.42 118.90 3dla h ASP 35 Ca 0.28 -0.43 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 3dla h ASP 35 Cb 0.30 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 3dla h ASP 35 CO -0.09 0.59 0.05 0.24 -2.88 0.00 0.00 179.24 177.15 3dla h MET 36 N -0.18 0.33 -1.04 0.28 2.86 -0.60 -2.23 114.93 114.35 3dla h MET 36 Ca 0.02 -0.08 0.26 0.00 -2.06 0.00 0.00 59.70 57.85 3dla h MET 36 Cb 0.51 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.04 3dla h MET 36 CO 0.01 0.45 0.67 0.00 1.06 0.00 0.00 176.91 179.10 3dla h ALA 37 N 0.87 2.23 -0.09 6.32 0.00 -1.04 -1.07 119.26 126.48 3dla h ALA 37 Ca 0.07 0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 3dla h ALA 37 Cb 0.26 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3dla h ALA 37 CO -0.00 -0.64 -0.85 0.00 0.00 0.00 0.00 179.25 177.76 3dla h ARG 38 N 0.39 0.66 -0.97 0.00 3.08 -0.76 0.29 114.38 117.07 3dla h ARG 38 Ca 0.59 -0.59 0.15 0.00 0.07 0.00 0.00 59.98 60.20 3dla h ARG 38 Cb 1.50 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 31.60 3dla h ARG 38 CO -0.29 1.20 0.61 0.00 -1.07 0.00 0.00 179.97 180.42 3dla h ALA 39 N 0.61 1.70 0.08 0.04 0.00 -0.97 0.14 119.26 120.86 3dla h ALA 39 Ca -0.07 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 3dla h ALA 39 Cb 1.48 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 19.15 3dla h ALA 39 CO 0.17 0.02 -0.98 0.00 0.00 0.00 0.00 179.25 178.46 3dla h HIS 41 N 0.09 -0.54 -0.61 0.00 6.17 -0.27 -0.85 115.15 119.14 3dla h HIS 41 Ca -0.14 0.06 0.04 0.00 0.71 0.00 0.00 60.37 61.03 3dla h HIS 41 Cb 1.68 0.33 -0.03 0.00 2.52 0.00 0.00 27.41 31.91 3dla h HIS 41 CO 0.14 -0.31 0.40 -0.44 0.71 0.00 0.00 177.93 178.43 3dla h ASP 42 N -0.08 0.60 -0.06 3.26 5.19 -0.63 -1.25 116.42 123.45 3dla h ASP 42 Ca 0.26 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3dla h ASP 42 Cb 0.49 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.86 3dla h ASP 42 CO -0.63 0.41 0.00 0.47 -3.12 0.00 0.00 179.24 176.37 3dla n ASP 43 N -4.47 0.77 -1.18 6.45 8.00 -0.56 -4.90 116.55 120.66 3dla n ASP 43 Ca 0.07 -1.48 -0.10 0.00 0.71 0.00 0.00 54.79 54.00 3dla n ASP 43 Cb 0.15 -0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3dla n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dla n GLY 44 N 0.98 -0.05 3.82 0.44 0.00 -0.47 -5.02 105.19 104.89 3dla n GLY 44 Ca 0.17 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 3dla n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dla s ALA 45 N -2.52 2.83 -0.46 4.61 0.00 -0.38 -4.64 121.76 121.20 3dla s ALA 45 Ca 0.01 0.28 0.12 0.00 0.00 0.00 0.00 51.96 52.37 3dla s ALA 45 Cb -0.00 -3.19 -0.15 0.00 0.00 0.00 0.00 23.12 19.78 3dla s ALA 45 CO 0.01 -0.71 0.47 0.00 0.00 0.00 0.00 175.76 175.53 3dla n ALA 46 N -2.08 3.37 -3.40 0.00 0.00 0.57 -3.38 120.51 115.59 3dla n ALA 46 Ca 0.08 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.05 3dla n ALA 46 Cb 0.53 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 3dla n ALA 46 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dla s LEU 47 N -2.87 0.23 -0.24 0.00 2.96 -1.20 -0.57 118.68 117.00 3dla s LEU 47 Ca 0.03 0.89 -0.04 0.00 -0.22 0.00 0.00 54.13 54.79 3dla s LEU 47 Cb 0.09 1.49 0.08 0.00 0.50 0.00 0.00 46.19 48.35 3dla s LEU 47 CO 0.51 -0.16 0.11 0.00 -1.32 0.00 0.00 176.35 175.49 3dla s ALA 48 N 0.47 0.57 -0.17 5.97 0.00 -0.35 -0.51 121.76 127.74 3dla s ALA 48 Ca -0.02 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 50.98 3dla s ALA 48 Cb -0.04 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 3dla s ALA 48 CO -0.02 -1.43 0.60 0.08 0.00 0.00 0.00 175.76 174.98 3dla s VAL 49 N 2.10 5.06 0.45 0.00 1.01 -0.21 -0.95 120.40 127.85 3dla s VAL 49 Ca 0.06 1.14 0.08 0.00 0.00 0.00 0.00 61.98 63.25 3dla s VAL 49 Cb -0.16 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.31 3dla s VAL 49 CO -0.24 0.17 0.51 -0.36 0.00 0.00 0.00 175.10 175.17 3dla s PHE 50 N 1.58 2.49 0.66 5.22 0.40 -0.72 0.56 117.98 128.16 3dla s PHE 50 Ca 0.28 -0.52 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 3dla s PHE 50 Cb -0.16 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 3dla s PHE 50 CO 0.11 -0.39 1.05 -2.14 0.70 0.00 0.00 175.22 174.55 3dla s PRO 51 N -4.29 3.13 0.05 0.24 0.02 -1.25 -4.51 135.00 128.39 3dla s PRO 51 Ca 0.51 1.00 -0.37 0.00 0.02 0.00 0.00 61.00 62.15 3dla s PRO 51 Cb -0.06 -2.01 -0.19 0.00 0.02 0.00 0.00 34.50 32.26 3dla s PRO 51 CO 0.31 -0.95 1.02 -1.91 -0.33 0.00 0.00 177.00 175.14 3dla n GLU 52 N -2.77 0.17 -2.59 5.54 2.13 0.21 -1.77 120.64 121.56 3dla n GLU 52 Ca 0.08 0.06 -0.18 0.00 0.66 0.00 0.00 57.16 57.78 3dla n GLU 52 Cb 0.53 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.75 3dla n GLU 52 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3dla n LEU 53 N 1.70 -1.71 -0.18 4.31 4.77 -1.26 -4.18 117.00 120.44 3dla n LEU 53 Ca 0.19 -0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 3dla n LEU 53 Cb 0.13 -2.57 0.23 0.00 -2.33 0.00 0.00 43.42 38.88 3dla n LEU 53 CO 0.60 -0.09 0.50 0.41 -1.33 0.00 0.00 177.39 177.49 3dla n THR 54 N -3.84 -0.23 0.19 -5.08 -1.04 -0.73 -0.05 114.28 103.51 3dla n THR 54 Ca -0.17 1.16 0.12 0.00 -2.04 0.00 0.00 64.05 63.11 3dla n THR 54 Cb 0.64 -1.77 0.01 0.00 -1.82 0.00 0.00 70.33 67.39 3dla n THR 54 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3dla n LEU 55 N -4.47 0.76 -0.07 -4.42 7.94 -0.62 -4.20 117.00 111.92 3dla n LEU 55 Ca 0.16 0.27 -0.14 0.00 -1.11 0.00 0.00 56.01 55.19 3dla n LEU 55 Cb 0.55 -0.07 -0.05 0.00 0.53 0.00 0.00 43.42 44.37 3dla n LEU 55 CO -0.02 -0.14 -0.99 -1.54 -1.11 0.00 0.00 177.39 173.59 3dla n SER 56 N -2.53 1.49 0.00 1.96 3.41 -0.68 -3.49 113.62 113.78 3dla n SER 56 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3dla n SER 56 Cb 0.53 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3dla n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dla n GLY 57 N 2.27 4.03 0.29 5.00 0.00 0.93 -1.56 105.19 116.14 3dla n GLY 57 Ca -0.28 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 3dla n GLY 57 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dla h TYR 58 N 0.00 1.08 -0.20 1.61 3.20 -1.73 -3.34 116.97 117.60 3dla h TYR 58 Ca 0.00 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.70 3dla h TYR 58 Cb 0.00 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.98 3dla h TYR 58 CO 0.00 0.95 0.00 -1.13 -1.64 0.00 0.00 178.16 176.34 3dla n SER 59 N -4.26 1.74 0.00 -2.11 3.41 -1.26 -4.42 113.62 106.71 3dla n SER 59 Ca 0.03 -1.75 0.05 0.00 -0.26 0.00 0.00 58.87 56.93 3dla n SER 59 Cb 0.31 -0.13 0.29 0.00 -0.26 0.00 0.00 64.21 64.42 3dla n SER 59 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3dla n ILE 60 N 0.38 0.00 -0.16 -1.33 -5.35 -1.25 -4.86 119.36 106.78 3dla n ILE 60 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 3dla n ILE 60 Cb 0.33 -0.40 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 3dla n ILE 60 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3dla n GLU 61 N -0.73 0.00 0.00 6.28 -0.58 -1.26 -0.26 120.64 124.09 3dla n GLU 61 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3dla n GLU 61 Cb 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.90 3dla n GLU 61 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3dla n ASP 62 N 0.53 0.00 0.17 1.62 8.00 -1.26 -0.85 116.55 124.75 3dla n ASP 62 Ca 0.00 0.19 0.13 0.00 0.71 0.00 0.00 54.79 55.82 3dla n ASP 62 Cb 0.00 -0.19 0.43 0.00 -0.02 0.00 0.00 41.12 41.35 3dla n ASP 62 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3dla h VAL 63 N 0.00 0.00 -0.01 2.53 2.07 -1.03 -2.67 116.25 117.13 3dla h VAL 63 Ca 0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3dla h VAL 63 Cb 0.04 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3dla h VAL 63 CO 0.00 0.00 0.02 -0.07 0.02 0.00 0.00 177.57 177.54 3dla h LEU 64 N 0.00 0.00 -2.47 2.57 3.38 -1.12 -2.89 115.31 114.78 3dla h LEU 64 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dla h LEU 64 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3dla h LEU 64 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3dla n LEU 65 N -3.77 3.76 -4.63 1.67 4.77 -1.01 -4.62 117.00 113.17 3dla n LEU 65 Ca -0.03 -1.90 -0.35 0.00 -0.03 0.00 0.00 56.01 53.71 3dla n LEU 65 Cb 0.10 -0.52 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 3dla n LEU 65 CO 0.27 0.59 -0.25 -1.10 -1.33 0.00 0.00 177.39 175.57 3dla s GLN 66 N -1.88 3.98 0.43 3.23 -1.52 -1.09 -4.98 119.66 117.82 3dla s GLN 66 Ca 0.37 -0.34 0.23 0.00 -1.95 0.00 0.00 55.36 53.67 3dla s GLN 66 Cb 0.25 -3.24 1.21 0.00 -0.22 0.00 0.00 33.01 31.01 3dla s GLN 66 CO 0.16 0.25 1.77 -0.44 -0.25 0.00 0.00 175.29 176.78 3dla h ASP 67 N 6.77 0.35 0.88 5.90 3.32 -1.91 0.66 116.42 132.39 3dla h ASP 67 Ca -0.37 0.07 -0.20 0.00 0.02 0.00 0.00 57.03 56.55 3dla h ASP 67 Cb 1.17 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 3dla h ASP 67 CO 0.70 0.05 -0.95 0.28 -1.72 0.00 0.00 179.24 177.60 3dla h SER 68 N 0.30 0.05 0.62 6.45 0.02 -1.95 -0.20 113.55 118.85 3dla h SER 68 Ca 0.60 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.47 3dla h SER 68 Cb 1.72 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 64.24 3dla h SER 68 CO -0.25 0.97 -0.30 0.25 -1.14 0.00 0.00 176.83 176.36 3dla h LEU 69 N 0.02 -0.71 -0.90 5.07 7.12 -1.22 -1.59 115.31 123.10 3dla h LEU 69 Ca -0.02 0.02 0.17 0.00 0.13 0.00 0.00 57.88 58.18 3dla h LEU 69 Cb 1.66 0.18 -0.10 0.00 -0.53 0.00 0.00 40.66 41.87 3dla h LEU 69 CO 0.13 -0.31 0.48 -0.07 -0.13 0.00 0.00 178.44 178.53 3dla h LEU 70 N -1.22 0.56 -0.46 2.25 3.38 -1.30 -2.02 115.31 116.49 3dla h LEU 70 Ca -0.09 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3dla h LEU 70 Cb 0.64 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3dla h LEU 70 CO 0.14 0.19 0.26 0.44 0.09 0.00 0.00 178.44 179.56 3dla h ASP 71 N 0.62 0.57 0.13 -0.43 3.32 -1.02 -2.75 116.42 116.85 3dla h ASP 71 Ca 0.51 -0.08 -0.22 0.00 0.02 0.00 0.00 57.03 57.27 3dla h ASP 71 Cb 0.80 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3dla h ASP 71 CO -0.40 0.48 -0.85 0.00 -1.72 0.00 0.00 179.24 176.75 3dla h ALA 72 N 1.11 0.39 -0.34 3.45 0.00 -0.59 -2.69 119.26 120.58 3dla h ALA 72 Ca 0.16 -0.65 0.07 0.00 0.00 0.00 0.00 54.91 54.50 3dla h ALA 72 Cb 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3dla h ALA 72 CO -0.03 0.75 -0.15 0.28 0.00 0.00 0.00 179.25 180.09 3dla h VAL 73 N 0.35 0.52 -0.36 0.00 2.07 -1.41 -0.27 116.25 117.15 3dla h VAL 73 Ca -0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3dla h VAL 73 Cb 1.46 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.67 3dla h VAL 73 CO 0.16 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 177.24 3dla h GLU 74 N -0.09 -0.11 0.00 1.57 5.08 -1.27 0.23 114.58 119.98 3dla h GLU 74 Ca 0.17 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3dla h GLU 74 Cb 0.36 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3dla h GLU 74 CO -0.41 -0.07 -0.14 -0.44 -1.00 0.00 0.00 179.01 176.95 3dla h ASP 75 N -0.12 0.00 0.00 1.42 5.19 -1.07 0.16 116.42 122.00 3dla h ASP 75 Ca 0.18 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 3dla h ASP 75 Cb 0.39 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 3dla h ASP 75 CO -0.44 0.14 -0.39 0.00 -3.12 0.00 0.00 179.24 175.43 3dla h ALA 76 N 1.86 0.07 -0.88 3.45 0.00 -0.33 -2.41 119.26 121.02 3dla h ALA 76 Ca -0.00 -0.56 0.20 0.00 0.00 0.00 0.00 54.91 54.54 3dla h ALA 76 Cb 0.41 0.26 -0.16 0.00 0.00 0.00 0.00 17.79 18.30 3dla h ALA 76 CO 0.02 0.25 -0.11 1.25 0.00 0.00 0.00 179.25 180.66 3dla h LEU 77 N -1.00 -0.63 -1.14 0.00 7.12 -0.35 -0.76 115.31 118.55 3dla h LEU 77 Ca -0.09 0.25 -0.04 0.00 0.13 0.00 0.00 57.88 58.14 3dla h LEU 77 Cb 0.77 0.49 -0.03 0.00 -0.53 0.00 0.00 40.66 41.36 3dla h LEU 77 CO -0.05 -0.28 0.20 -0.07 -0.13 0.00 0.00 178.44 178.10 3dla h LEU 78 N 0.03 0.73 -0.09 2.25 3.38 -0.96 -1.61 115.31 119.04 3dla h LEU 78 Ca 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 3dla h LEU 78 Cb 0.80 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3dla h LEU 78 CO -0.86 0.68 0.03 0.44 0.09 0.00 0.00 178.44 178.82 3dla h ASP 79 N 0.79 0.13 -0.89 -0.43 5.19 -0.72 -2.34 116.42 118.15 3dla h ASP 79 Ca 0.19 -0.19 0.14 0.00 -0.62 0.00 0.00 57.03 56.54 3dla h ASP 79 Cb 0.19 -0.03 -0.07 0.00 0.18 0.00 0.00 39.33 39.60 3dla h ASP 79 CO -0.01 0.29 0.57 -0.07 -3.12 0.00 0.00 179.24 176.89 3dla h LEU 80 N -0.03 0.67 -0.11 1.55 3.38 -1.03 0.17 115.31 119.91 3dla h LEU 80 Ca 0.03 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3dla h LEU 80 Cb 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3dla h LEU 80 CO -0.00 0.35 0.00 0.58 0.09 0.00 0.00 178.44 179.46 3dla h VAL 81 N 0.72 1.24 0.00 1.22 2.07 -1.07 -0.78 116.25 119.65 3dla h VAL 81 Ca 0.44 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3dla h VAL 81 Cb 0.67 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3dla h VAL 81 CO -0.20 0.22 -0.07 0.74 0.02 0.00 0.00 177.57 178.29 3dla h THR 82 N -0.08 0.84 0.00 2.57 2.02 -0.84 -2.48 112.91 114.95 3dla h THR 82 Ca 0.03 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3dla h THR 82 Cb 0.34 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3dla h THR 82 CO 0.00 0.07 0.00 -0.62 0.37 0.00 0.00 175.52 175.34 3dla n GLU 83 N -4.16 0.14 0.03 6.66 -0.58 0.54 -3.09 120.64 120.18 3dla n GLU 83 Ca -0.03 0.30 0.11 0.00 -0.42 0.00 0.00 57.16 57.12 3dla n GLU 83 Cb 0.15 -1.73 -0.10 0.00 -0.57 0.00 0.00 31.44 29.18 3dla n GLU 83 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3dla n SER 84 N -1.99 0.33 -0.13 1.62 3.41 -0.93 -3.73 113.62 112.20 3dla n SER 84 Ca 0.04 0.09 0.10 0.00 -0.26 0.00 0.00 58.87 58.83 3dla n SER 84 Cb 0.27 1.40 0.18 0.00 -0.26 0.00 0.00 64.21 65.80 3dla n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dla n ALA 85 N -2.21 0.31 -1.65 7.33 0.00 -1.18 -0.27 120.51 122.85 3dla n ALA 85 Ca -0.02 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.55 3dla n ALA 85 Cb 0.55 -0.35 0.07 0.00 0.00 0.00 0.00 19.45 19.72 3dla n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dla n ASP 86 N -4.08 5.81 -3.86 0.00 8.00 -1.24 -4.75 116.55 116.42 3dla n ASP 86 Ca 0.12 -3.77 -0.14 0.00 0.71 0.00 0.00 54.79 51.71 3dla n ASP 86 Cb 0.41 -0.66 -0.15 0.00 -0.02 0.00 0.00 41.12 40.71 3dla n ASP 86 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dla s LEU 87 N -3.65 1.67 0.06 0.64 1.02 0.62 -5.05 118.68 113.99 3dla s LEU 87 Ca 0.56 -0.02 -0.18 0.00 0.02 0.00 0.00 54.13 54.51 3dla s LEU 87 Cb 0.45 -0.11 -0.13 0.00 0.02 0.00 0.00 46.19 46.42 3dla s LEU 87 CO 0.02 -0.03 1.34 0.25 0.02 0.00 0.00 176.35 177.95 3dla h LEU 88 N 6.55 0.53 -9.92 1.79 5.85 -1.87 -3.38 115.31 114.85 3dla h LEU 88 Ca -0.32 -0.51 -0.46 0.00 0.84 0.00 0.00 57.88 57.42 3dla h LEU 88 Cb 1.18 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3dla h LEU 88 CO 0.50 0.93 0.34 -2.16 -0.34 0.00 0.00 178.44 177.70 3dla s PRO 89 N -4.21 4.51 0.20 5.25 0.04 -1.22 -4.84 135.00 134.73 3dla s PRO 89 Ca -0.13 1.28 -0.32 0.00 0.04 0.00 0.00 61.00 61.86 3dla s PRO 89 Cb 0.06 -2.69 -0.11 0.00 0.04 0.00 0.00 34.50 31.80 3dla s PRO 89 CO 0.79 0.22 1.67 0.08 0.04 0.00 0.00 177.00 179.80 3dla s VAL 90 N -1.72 2.20 -0.26 -0.36 1.01 0.27 -4.74 120.40 116.79 3dla s VAL 90 Ca 0.52 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.57 3dla s VAL 90 Cb -0.17 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 3dla s VAL 90 CO 0.22 0.01 0.10 -0.76 0.00 0.00 0.00 175.10 174.67 3dla s LEU 91 N 1.07 3.60 -0.26 3.92 1.43 -0.19 -1.21 118.68 127.05 3dla s LEU 91 Ca 0.73 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 53.56 3dla s LEU 91 Cb -0.48 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 3dla s LEU 91 CO 0.33 -0.05 0.08 -0.69 0.23 0.00 0.00 176.35 176.24 3dla s VAL 92 N 1.64 4.32 0.01 -1.59 1.01 -0.13 -0.89 120.40 124.77 3dla s VAL 92 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3dla s VAL 92 Cb -0.15 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 3dla s VAL 92 CO 0.05 0.30 -0.01 -0.69 0.00 0.00 0.00 175.10 174.75 3dla s VAL 93 N 1.61 0.05 0.19 2.92 1.01 -0.13 -1.76 120.40 124.29 3dla s VAL 93 Ca 0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 3dla s VAL 93 Cb -0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 3dla s VAL 93 CO 0.04 -0.14 0.46 -0.83 0.00 0.00 0.00 175.10 174.63 3dla s GLY 94 N -0.43 2.23 -0.29 4.51 0.00 -1.26 0.58 107.32 112.65 3dla s GLY 94 Ca -0.05 -0.44 -0.20 0.00 0.00 0.00 0.00 44.72 44.04 3dla s GLY 94 CO -0.00 -0.33 1.15 0.00 0.00 0.00 0.00 173.10 173.91 3dla s ALA 95 N -1.75 -2.29 -0.18 3.20 0.00 -0.80 -1.59 121.76 118.34 3dla s ALA 95 Ca 0.44 1.97 -0.30 0.00 0.00 0.00 0.00 51.96 54.07 3dla s ALA 95 Cb -0.12 -1.73 -0.07 0.00 0.00 0.00 0.00 23.12 21.20 3dla s ALA 95 CO 0.23 -0.26 2.15 -2.30 0.00 0.00 0.00 175.76 175.58 3dla n PRO 96 N 2.80 2.01 -4.53 0.00 -0.02 -1.26 -2.14 135.00 131.87 3dla n PRO 96 Ca -0.15 0.61 -0.23 0.00 -2.02 0.00 0.00 63.50 61.71 3dla n PRO 96 Cb 0.57 -3.03 -0.14 0.00 -0.02 0.00 0.00 33.50 30.88 3dla n PRO 96 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dla s LEU 97 N 7.13 2.14 0.12 2.45 1.43 -0.79 -4.88 118.68 126.28 3dla s LEU 97 Ca 0.99 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.34 3dla s LEU 97 Cb -0.46 -0.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.92 3dla s LEU 97 CO 0.40 0.11 0.98 -0.13 0.23 0.00 0.00 176.35 177.94 3dla s ARG 98 N -1.01 4.68 -0.16 1.70 0.52 -1.26 0.23 118.95 123.65 3dla s ARG 98 Ca 0.05 1.48 -0.07 0.00 -0.52 0.00 0.00 55.73 56.67 3dla s ARG 98 Cb -0.08 -3.37 0.06 0.00 0.52 0.00 0.00 34.95 32.09 3dla s ARG 98 CO 0.01 0.19 0.35 -1.58 0.02 0.00 0.00 175.30 174.29 3dla s HIS 99 N 0.00 -0.55 0.00 -0.53 2.46 -0.16 -4.93 115.29 111.58 3dla s HIS 99 Ca 0.47 1.18 0.00 0.00 0.47 0.00 0.00 55.06 57.18 3dla s HIS 99 Cb -0.24 0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.39 3dla s HIS 99 CO 0.30 -0.35 0.00 -2.13 -2.47 0.00 0.00 174.74 170.10 3dla n ARG 100 N 4.63 0.00 0.08 2.88 0.63 -1.26 -2.35 116.66 121.27 3dla n ARG 100 Ca -0.18 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 56.83 3dla n ARG 100 Cb 0.53 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.41 3dla n ARG 100 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3dla h HIS 101 N 0.00 0.00 -2.97 -0.14 3.86 -2.02 -3.50 115.15 110.38 3dla h HIS 101 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 3dla h HIS 101 Cb 0.00 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.34 3dla h HIS 101 CO 0.00 0.17 -0.53 1.03 0.86 0.00 0.00 177.93 179.46 3dla s ARG 102 N -3.23 1.84 -0.01 2.45 0.52 -0.99 -5.13 118.95 114.39 3dla s ARG 102 Ca -0.01 -2.10 -0.10 0.00 -0.52 0.00 0.00 55.73 53.00 3dla s ARG 102 Cb 0.09 -0.51 -0.05 0.00 0.52 0.00 0.00 34.95 35.00 3dla s ARG 102 CO 0.80 -0.45 0.31 0.96 0.02 0.00 0.00 175.30 176.94 3dla s ILE 103 N -3.30 5.22 0.01 1.52 -4.36 -1.26 -0.99 121.20 118.04 3dla s ILE 103 Ca 0.28 0.45 0.03 0.00 -0.26 0.00 0.00 60.65 61.15 3dla s ILE 103 Cb 0.04 -3.59 -0.04 0.00 1.25 0.00 0.00 42.46 40.12 3dla s ILE 103 CO 0.16 0.48 -0.04 -0.31 0.24 0.00 0.00 174.94 175.47 3dla s TYR 104 N -1.19 2.97 -0.89 1.37 1.51 0.13 -0.47 117.35 120.79 3dla s TYR 104 Ca 0.25 0.01 -0.25 0.00 -1.01 0.00 0.00 57.07 56.07 3dla s TYR 104 Cb -0.14 -1.62 0.03 0.00 -0.11 0.00 0.00 41.96 40.11 3dla s TYR 104 CO 0.13 0.42 1.49 1.21 -1.11 0.00 0.00 175.55 177.68 3dla s ASN 105 N -1.55 6.14 0.16 2.29 3.84 -1.26 -1.88 114.94 122.68 3dla s ASN 105 Ca 0.19 -0.90 0.10 0.00 0.21 0.00 0.00 52.86 52.45 3dla s ASN 105 Cb -0.11 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 37.98 3dla s ASN 105 CO 0.09 -1.83 -0.16 0.42 -2.79 0.00 0.00 177.10 172.84 3dla s THR 106 N 6.14 2.87 -0.09 -5.21 -4.23 -0.91 0.19 115.64 114.40 3dla s THR 106 Ca 0.47 -1.69 -0.08 0.00 -1.18 0.00 0.00 61.69 59.21 3dla s THR 106 Cb -0.04 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 3dla s THR 106 CO 0.01 -0.04 0.19 0.00 -0.54 0.00 0.00 174.62 174.25 3dla s ALA 107 N -1.50 3.85 -0.10 3.99 0.00 1.32 -1.90 121.76 127.42 3dla s ALA 107 Ca 0.21 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.63 3dla s ALA 107 Cb -0.09 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.00 3dla s ALA 107 CO 0.12 0.60 -0.22 0.08 0.00 0.00 0.00 175.76 176.35 3dla s VAL 108 N -1.06 1.93 -0.38 0.00 1.01 0.20 -0.31 120.40 121.78 3dla s VAL 108 Ca 0.17 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 3dla s VAL 108 Cb -0.13 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.61 3dla s VAL 108 CO 0.07 0.53 0.21 -0.69 0.00 0.00 0.00 175.10 175.21 3dla s VAL 109 N 0.49 4.43 -0.18 2.92 1.01 -0.87 -0.95 120.40 127.25 3dla s VAL 109 Ca -0.16 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 3dla s VAL 109 Cb -0.17 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3dla s VAL 109 CO 0.06 -0.28 -0.01 -0.63 0.00 0.00 0.00 175.10 174.24 3dla s ILE 110 N 1.52 4.04 -0.04 2.22 1.01 -0.07 -0.83 121.20 129.05 3dla s ILE 110 Ca 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3dla s ILE 110 Cb -0.20 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.49 3dla s ILE 110 CO 0.05 0.46 -0.03 -2.28 0.00 0.00 0.00 174.94 173.15 3dla s HIS 111 N 0.65 0.57 -1.73 3.97 2.46 -0.27 -1.02 115.29 119.93 3dla s HIS 111 Ca -0.01 -0.12 -0.18 0.00 0.47 0.00 0.00 55.06 55.22 3dla s HIS 111 Cb -0.14 -0.55 0.16 0.00 -0.13 0.00 0.00 32.58 31.92 3dla s HIS 111 CO 0.02 -0.16 0.67 0.54 -2.47 0.00 0.00 174.74 173.34 3dla n ARG 112 N 4.04 -2.38 0.00 2.88 5.12 -1.25 -1.55 116.66 123.52 3dla n ARG 112 Ca -0.26 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3dla n ARG 112 Cb 0.51 -4.87 0.00 0.00 -1.16 0.00 0.00 32.46 26.94 3dla n ARG 112 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dla n GLY 113 N -1.42 0.85 3.02 -0.13 0.00 -1.25 -4.36 105.19 101.90 3dla n GLY 113 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3dla n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dla s ALA 114 N -2.00 0.08 -0.14 4.61 0.00 -0.60 -4.78 121.76 118.93 3dla s ALA 114 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 51.96 51.16 3dla s ALA 114 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 3dla s ALA 114 CO 0.00 -0.20 0.66 0.08 0.00 0.00 0.00 175.76 176.31 3dla s VAL 115 N -1.74 5.03 -0.40 0.00 1.01 -1.26 -1.11 120.40 121.92 3dla s VAL 115 Ca -0.13 1.31 0.23 0.00 0.00 0.00 0.00 61.98 63.39 3dla s VAL 115 Cb -0.07 -3.99 0.15 0.00 0.00 0.00 0.00 36.38 32.47 3dla s VAL 115 CO -0.02 0.18 1.34 -0.07 0.00 0.00 0.00 175.10 176.53 3dla h LEU 116 N 7.52 0.00 0.00 3.92 4.07 -1.33 -3.47 115.31 126.01 3dla h LEU 116 Ca -0.36 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.57 3dla h LEU 116 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 3dla h LEU 116 CO 0.77 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 178.76 3dla n GLY 117 N 1.18 2.14 3.07 0.83 0.00 -1.25 -4.32 105.19 106.84 3dla n GLY 117 Ca 0.02 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3dla n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dla s VAL 118 N -1.67 1.93 -0.15 1.61 1.01 0.61 -2.05 120.40 121.69 3dla s VAL 118 Ca 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 3dla s VAL 118 Cb 0.00 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3dla s VAL 118 CO 0.00 0.37 -0.07 -0.69 0.00 0.00 0.00 175.10 174.71 3dla s VAL 119 N 1.31 3.58 0.12 2.92 1.01 0.58 -1.82 120.40 128.09 3dla s VAL 119 Ca 0.02 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3dla s VAL 119 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3dla s VAL 119 CO -0.10 0.50 -0.13 -2.16 0.00 0.00 0.00 175.10 173.20 3dla s PRO 120 N 0.44 1.99 0.19 2.72 0.04 -1.26 0.40 135.00 139.51 3dla s PRO 120 Ca -0.06 -1.11 -0.32 0.00 0.04 0.00 0.00 61.00 59.55 3dla s PRO 120 Cb -0.15 -2.22 -0.12 0.00 0.04 0.00 0.00 34.50 32.06 3dla s PRO 120 CO 0.04 0.49 1.72 0.21 0.04 0.00 0.00 177.00 179.49 3dla s LYS 121 N -2.25 4.13 0.01 4.56 2.20 0.51 -4.46 119.74 124.45 3dla s LYS 121 Ca 0.20 2.58 -0.25 0.00 -0.36 0.00 0.00 55.97 58.15 3dla s LYS 121 Cb -0.11 -3.15 -0.18 0.00 -1.51 0.00 0.00 37.83 32.89 3dla s LYS 121 CO 0.13 -0.75 1.35 0.77 -0.36 0.00 0.00 175.35 176.48 3dla h SER 122 N 7.02 -0.16 -3.34 1.43 0.02 -1.88 0.23 113.55 116.86 3dla h SER 122 Ca -0.43 -0.25 -0.62 0.00 -0.84 0.00 0.00 61.79 59.65 3dla h SER 122 Cb 1.20 0.04 -0.37 0.00 0.14 0.00 0.00 62.40 63.42 3dla h SER 122 CO 0.95 0.17 -0.82 -0.31 -1.14 0.00 0.00 176.83 175.69 3dla s TYR 123 N -4.83 2.39 -0.47 3.45 2.02 -1.26 -3.12 117.35 115.53 3dla s TYR 123 Ca -0.15 -1.52 -0.13 0.00 -0.37 0.00 0.00 57.07 54.91 3dla s TYR 123 Cb 0.03 -1.65 0.09 0.00 -0.40 0.00 0.00 41.96 40.03 3dla s TYR 123 CO 0.61 -0.73 0.37 -0.51 -1.57 0.00 0.00 175.55 173.72 3dla s LEU 124 N 1.41 5.61 0.28 -1.29 1.02 -1.26 -4.44 118.68 120.01 3dla s LEU 124 Ca 0.00 -1.58 -0.29 0.00 0.02 0.00 0.00 54.13 52.28 3dla s LEU 124 Cb -0.15 -2.10 -0.10 0.00 0.02 0.00 0.00 46.19 43.86 3dla s LEU 124 CO -0.09 -0.66 1.25 -2.16 0.02 0.00 0.00 176.35 174.70 3dla s PRO 125 N 1.52 4.45 -0.41 1.29 0.04 -1.26 -4.35 135.00 136.27 3dla s PRO 125 Ca 0.04 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.21 3dla s PRO 125 Cb -0.25 -3.14 0.25 0.00 0.04 0.00 0.00 34.50 31.39 3dla s PRO 125 CO 0.03 -0.09 0.59 2.41 0.04 0.00 0.00 177.00 179.98 3dla n THR 126 N 1.41 -0.58 -3.46 1.26 -1.04 -1.25 -1.68 114.28 108.93 3dla n THR 126 Ca 0.01 -3.50 -0.11 0.00 -2.04 0.00 0.00 64.05 58.41 3dla n THR 126 Cb 0.43 -1.28 -0.02 0.00 -1.82 0.00 0.00 70.33 67.63 3dla n THR 126 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 3dla s TYR 127 N -0.78 -0.47 0.00 -1.42 -0.85 -0.10 -4.94 117.35 108.79 3dla s TYR 127 Ca 0.34 0.36 0.00 0.00 -0.52 0.00 0.00 57.07 57.25 3dla s TYR 127 Cb 0.18 0.54 0.00 0.00 0.38 0.00 0.00 41.96 43.05 3dla s TYR 127 CO -0.14 -0.71 0.00 2.89 -1.52 0.00 0.00 175.55 176.08 3dla n ARG 128 N -0.20 0.00 0.00 -3.49 1.85 -1.26 0.13 116.66 113.69 3dla n ARG 128 Ca -0.14 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.84 3dla n ARG 128 Cb 0.63 0.00 0.72 0.00 -1.05 0.00 0.00 32.46 32.76 3dla n ARG 128 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 3dla n GLU 129 N 0.29 0.63 -4.06 2.89 0.00 -1.26 -4.80 120.64 114.33 3dla n GLU 129 Ca 0.00 0.02 -0.35 0.00 0.00 0.00 0.00 57.16 56.83 3dla n GLU 129 Cb 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 29.86 3dla n GLU 129 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3dla s PHE 130 N -2.23 3.34 -0.19 -1.84 0.08 0.34 -5.01 117.98 112.47 3dla s PHE 130 Ca 0.33 0.26 0.18 0.00 0.12 0.00 0.00 56.93 57.82 3dla s PHE 130 Cb 0.17 -1.96 0.46 0.00 -0.57 0.00 0.00 43.02 41.13 3dla s PHE 130 CO 0.33 0.43 1.16 0.66 -0.10 0.00 0.00 175.22 177.70 3dla n TYR 131 N 2.67 1.07 0.13 0.36 4.02 -1.24 -0.92 117.16 123.25 3dla n TYR 131 Ca -0.18 -1.64 -0.00 0.00 -0.01 0.00 0.00 57.90 56.07 3dla n TYR 131 Cb 0.53 -0.24 0.09 0.00 -0.02 0.00 0.00 39.34 39.71 3dla n TYR 131 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3dla h GLU 132 N 1.85 0.00 0.00 -0.72 5.08 -1.61 -2.75 114.58 116.43 3dla h GLU 132 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3dla h GLU 132 Cb 1.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 3dla h GLU 132 CO 0.26 0.64 -0.01 0.00 -1.00 0.00 0.00 179.01 178.90 3dla h ARG 133 N 0.00 0.00 -0.23 2.33 2.47 -1.74 -0.38 114.38 116.83 3dla h ARG 133 Ca -0.01 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.51 3dla h ARG 133 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 3dla h ARG 133 CO 0.08 0.01 -0.65 -0.09 0.56 0.00 0.00 179.97 179.89 3dla h ARG 134 N 0.00 0.84 0.00 0.04 2.43 -1.88 -3.36 114.38 112.46 3dla h ARG 134 Ca -0.00 -0.60 -0.38 0.00 -0.81 0.00 0.00 59.98 58.20 3dla h ARG 134 Cb 0.06 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 3dla h ARG 134 CO 0.00 1.22 -2.41 1.04 -1.51 0.00 0.00 179.97 178.31 3dla n GLN 135 N -3.98 0.68 -4.71 0.20 3.00 -1.10 -5.01 117.38 106.46 3dla n GLN 135 Ca -0.06 0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.69 3dla n GLN 135 Cb 0.68 -1.52 -0.14 0.00 0.00 0.00 0.00 30.24 29.26 3dla n GLN 135 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 3dla s MET 136 N -2.50 1.60 0.19 -1.09 -1.94 -0.17 -4.35 119.30 111.04 3dla s MET 136 Ca -0.17 -1.14 -0.15 0.00 -1.71 0.00 0.00 55.69 52.52 3dla s MET 136 Cb 0.07 -1.84 -0.07 0.00 2.01 0.00 0.00 34.83 34.99 3dla s MET 136 CO 0.76 0.46 0.61 0.00 -0.01 0.00 0.00 175.02 176.85 3dla s ALA 137 N -0.88 3.51 0.42 3.03 0.00 0.38 -4.25 121.76 123.97 3dla s ALA 137 Ca 0.11 -0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.75 3dla s ALA 137 Cb -0.10 -2.61 -0.09 0.00 0.00 0.00 0.00 23.12 20.32 3dla s ALA 137 CO 0.03 0.42 1.39 -1.25 0.00 0.00 0.00 175.76 176.35 3dla s PRO 138 N -2.16 3.89 0.00 0.00 0.04 -1.26 -4.42 135.00 131.09 3dla s PRO 138 Ca 0.42 2.36 0.27 0.00 0.04 0.00 0.00 61.00 64.09 3dla s PRO 138 Cb -0.14 -2.77 0.88 0.00 0.04 0.00 0.00 34.50 32.50 3dla s PRO 138 CO 0.20 -0.63 1.66 0.41 0.04 0.00 0.00 177.00 178.68 3dla n GLY 139 N 0.60 -1.20 3.76 0.56 0.00 0.80 -4.89 105.19 104.82 3dla n GLY 139 Ca 0.04 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3dla n GLY 139 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dla s ASP 140 N -2.84 6.62 0.00 1.61 -4.77 -1.22 -1.24 116.67 114.83 3dla s ASP 140 Ca 0.17 2.78 0.00 0.00 -3.30 0.00 0.00 52.55 52.19 3dla s ASP 140 Cb 0.19 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.37 3dla s ASP 140 CO 0.59 -0.68 0.00 0.61 0.70 0.00 0.00 175.17 176.39 3dla n GLY 141 N 1.23 0.42 3.73 2.12 0.00 -1.26 -5.00 105.19 106.44 3dla n GLY 141 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3dla n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dla s GLU 142 N -0.66 4.57 0.00 1.61 0.41 -0.37 -5.03 118.70 119.23 3dla s GLU 142 Ca 0.00 1.23 0.00 0.00 -0.41 0.00 0.00 54.97 55.79 3dla s GLU 142 Cb 0.00 -3.38 0.00 0.00 -1.78 0.00 0.00 34.13 28.97 3dla s GLU 142 CO 0.00 0.21 0.00 0.54 -0.49 0.00 0.00 175.26 175.52 3dla n ARG 143 N 2.99 2.47 0.00 1.61 1.74 -1.26 -3.52 116.66 120.68 3dla n ARG 143 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3dla n ARG 143 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 3dla n ARG 143 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dla n GLY 144 N 3.08 -1.42 3.59 -0.13 0.00 -1.21 -4.67 105.19 104.43 3dla n GLY 144 Ca 0.00 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 3dla n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dla n THR 145 N 0.00 0.00 -3.78 2.61 -2.24 -1.26 -0.54 114.28 109.07 3dla n THR 145 Ca 0.00 -2.36 -0.13 0.00 -2.27 0.00 0.00 64.05 59.30 3dla n THR 145 Cb 0.00 0.46 -0.12 0.00 -2.10 0.00 0.00 70.33 68.57 3dla n THR 145 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3dla s ILE 146 N -2.80 -0.00 -0.46 2.28 2.07 -0.43 -4.68 121.20 117.17 3dla s ILE 146 Ca 0.01 0.02 -0.21 0.00 -1.41 0.00 0.00 60.65 59.06 3dla s ILE 146 Cb -0.00 -0.35 0.03 0.00 0.13 0.00 0.00 42.46 42.27 3dla s ILE 146 CO 0.01 0.01 0.66 -0.60 -1.91 0.00 0.00 174.94 173.11 3dla s ARG 147 N 0.26 3.25 -0.21 3.50 3.00 -1.25 -1.38 118.95 126.11 3dla s ARG 147 Ca -0.01 -0.47 -0.04 0.00 -1.00 0.00 0.00 55.73 54.21 3dla s ARG 147 Cb -0.03 -3.99 -0.01 0.00 0.00 0.00 0.00 34.95 30.92 3dla s ARG 147 CO -0.01 -1.09 -0.03 0.42 0.00 0.00 0.00 175.30 174.59 3dla s ILE 148 N 2.88 3.57 -0.24 4.11 -1.09 0.24 -4.83 121.20 125.83 3dla s ILE 148 Ca 0.22 -0.43 -0.03 0.00 -2.23 0.00 0.00 60.65 58.17 3dla s ILE 148 Cb -0.15 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 3dla s ILE 148 CO 0.18 0.42 0.20 0.61 -1.23 0.00 0.00 174.94 175.12 3dla n GLY 149 N 4.62 -0.32 1.83 6.18 0.00 -1.26 -1.46 105.19 114.78 3dla n GLY 149 Ca -0.18 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3dla n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dla n GLY 150 N -0.69 2.65 3.39 -0.02 0.00 -1.26 -5.03 105.19 104.22 3dla n GLY 150 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 3dla n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dla s ALA 151 N -2.17 2.33 -0.22 4.61 0.00 -0.53 -5.12 121.76 120.65 3dla s ALA 151 Ca 0.00 -1.54 -0.11 0.00 0.00 0.00 0.00 51.96 50.31 3dla s ALA 151 Cb 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 3dla s ALA 151 CO 0.00 0.40 0.17 -0.51 0.00 0.00 0.00 175.76 175.83 3dla s ASP 152 N -2.49 6.19 0.06 0.00 1.11 -1.26 -0.59 116.67 119.69 3dla s ASP 152 Ca 0.17 0.20 0.02 0.00 0.18 0.00 0.00 52.55 53.13 3dla s ASP 152 Cb -0.08 -2.11 -0.03 0.00 1.07 0.00 0.00 42.92 41.77 3dla s ASP 152 CO 0.08 0.10 -0.08 0.68 1.18 0.00 0.00 175.17 177.12 3dla s VAL 153 N 0.81 0.65 0.16 -1.27 -7.23 -0.48 -4.84 120.40 108.20 3dla s VAL 153 Ca 0.09 -1.32 -0.34 0.00 -1.81 0.00 0.00 61.98 58.60 3dla s VAL 153 Cb -0.13 -0.93 -0.15 0.00 0.56 0.00 0.00 36.38 35.74 3dla s VAL 153 CO 0.03 -0.49 1.47 0.00 -0.31 0.00 0.00 175.10 175.80 3dla n ALA 154 N 1.06 0.67 -2.92 1.32 0.00 -1.26 -1.31 120.51 118.06 3dla n ALA 154 Ca -0.20 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 3dla n ALA 154 Cb 0.56 -2.26 -0.17 0.00 0.00 0.00 0.00 19.45 17.59 3dla n ALA 154 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3dla s PHE 155 N 0.57 2.45 0.00 0.00 5.36 0.30 -0.29 117.98 126.38 3dla s PHE 155 Ca 0.78 -0.83 0.00 0.00 -0.96 0.00 0.00 56.93 55.91 3dla s PHE 155 Cb -0.75 -1.62 0.00 0.00 -0.34 0.00 0.00 43.02 40.31 3dla s PHE 155 CO 0.43 -0.29 0.00 0.41 -1.46 0.00 0.00 175.22 174.31 3dla n GLY 156 N 3.17 2.37 0.14 13.12 0.00 -0.76 -3.36 105.19 119.87 3dla n GLY 156 Ca -0.18 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.36 3dla n GLY 156 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dla h THR 157 N 1.87 0.00 -0.26 2.61 1.35 -1.81 -3.36 112.91 113.31 3dla h THR 157 Ca 0.00 -0.72 -0.14 0.00 -0.55 0.00 0.00 66.41 65.00 3dla h THR 157 Cb 0.00 1.61 -0.08 0.00 -1.73 0.00 0.00 68.15 67.95 3dla h THR 157 CO 0.00 0.00 0.18 -0.90 -0.25 0.00 0.00 175.52 174.55 3dla n ASP 158 N -2.58 3.37 -4.89 5.36 5.75 -1.26 -4.99 116.55 117.30 3dla n ASP 158 Ca 0.04 -2.44 -0.33 0.00 -0.01 0.00 0.00 54.79 52.05 3dla n ASP 158 Cb 0.48 -0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 39.90 3dla n ASP 158 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3dla s LEU 159 N -0.87 4.32 -0.10 -2.12 1.43 -1.26 -0.63 118.68 119.46 3dla s LEU 159 Ca 0.15 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 3dla s LEU 159 Cb 0.13 -3.01 0.02 0.00 0.03 0.00 0.00 46.19 43.35 3dla s LEU 159 CO 0.03 0.15 -0.08 -0.76 0.23 0.00 0.00 176.35 175.91 3dla s LEU 160 N -2.27 1.29 -0.45 1.79 1.02 0.18 -4.64 118.68 115.60 3dla s LEU 160 Ca 0.35 -0.28 -0.10 0.00 0.02 0.00 0.00 54.13 54.11 3dla s LEU 160 Cb -0.13 -0.80 0.10 0.00 0.02 0.00 0.00 46.19 45.38 3dla s LEU 160 CO 0.22 -0.08 0.33 -0.36 0.02 0.00 0.00 176.35 176.47 3dla s PHE 161 N 1.41 3.35 -0.16 0.29 0.08 0.94 0.86 117.98 124.76 3dla s PHE 161 Ca -0.01 -1.58 -0.04 0.00 0.12 0.00 0.00 56.93 55.42 3dla s PHE 161 Cb -0.13 -3.25 -0.03 0.00 -0.57 0.00 0.00 43.02 39.03 3dla s PHE 161 CO -0.05 -0.91 -0.01 0.00 -0.10 0.00 0.00 175.22 174.15 3dla s ALA 162 N 1.44 3.14 -0.34 5.36 0.00 0.25 0.32 121.76 131.92 3dla s ALA 162 Ca 0.04 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 50.94 3dla s ALA 162 Cb -0.25 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.24 3dla s ALA 162 CO 0.02 0.24 0.98 0.00 0.00 0.00 0.00 175.76 177.00 3dla s ALA 163 N 0.24 3.46 0.59 0.00 0.00 -0.48 -2.16 121.76 123.41 3dla s ALA 163 Ca -0.01 -0.27 0.29 0.00 0.00 0.00 0.00 51.96 51.97 3dla s ALA 163 Cb -0.13 -3.57 1.74 0.00 0.00 0.00 0.00 23.12 21.16 3dla s ALA 163 CO 0.02 -1.51 2.18 0.66 0.00 0.00 0.00 175.76 177.11 3dla h SER 164 N 8.28 0.00 -0.05 0.00 4.64 -0.98 -2.50 113.55 122.94 3dla h SER 164 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3dla h SER 164 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3dla h SER 164 CO 0.99 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 176.05 3dla n ASP 165 N -3.82 1.83 -3.32 4.97 5.68 -1.26 -4.67 116.55 115.96 3dla n ASP 165 Ca -0.01 -1.44 -0.26 0.00 -0.50 0.00 0.00 54.79 52.58 3dla n ASP 165 Cb 0.20 -0.03 -0.09 0.00 -1.14 0.00 0.00 41.12 40.06 3dla n ASP 165 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3dla n LEU 166 N 0.41 -0.07 -0.18 -2.12 0.00 -0.94 -5.00 117.00 109.09 3dla n LEU 166 Ca 0.05 -4.54 0.29 0.00 0.00 0.00 0.00 56.01 51.82 3dla n LEU 166 Cb 0.23 0.53 0.73 0.00 0.00 0.00 0.00 43.42 44.91 3dla n LEU 166 CO 0.05 1.95 1.27 -0.65 0.00 0.00 0.00 177.39 180.00 3dla h PRO 167 N 4.94 0.00 0.00 1.96 0.11 -1.83 0.03 132.00 137.21 3dla h PRO 167 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3dla h PRO 167 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3dla h PRO 167 CO 0.42 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 3dla n GLY 168 N -1.71 -1.61 3.37 -0.55 0.00 -1.26 -4.49 105.19 98.93 3dla n GLY 168 Ca 0.19 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 3dla n GLY 168 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dla s PHE 169 N -3.13 3.35 -0.27 1.61 5.36 -0.00 -4.72 117.98 120.18 3dla s PHE 169 Ca 0.10 -1.49 -0.01 0.00 -0.96 0.00 0.00 56.93 54.57 3dla s PHE 169 Cb 0.12 -3.98 0.04 0.00 -0.34 0.00 0.00 43.02 38.87 3dla s PHE 169 CO 0.55 -1.19 -0.05 0.08 -1.46 0.00 0.00 175.22 173.15 3dla s VAL 170 N 1.60 2.77 -0.12 3.12 1.01 -1.26 -1.38 120.40 126.14 3dla s VAL 170 Ca 0.18 -1.28 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 3dla s VAL 170 Cb -0.15 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3dla s VAL 170 CO -0.03 0.04 0.77 -0.22 0.00 0.00 0.00 175.10 175.66 3dla s LEU 171 N 1.25 4.24 0.04 3.92 2.96 0.15 -0.88 118.68 130.36 3dla s LEU 171 Ca -0.04 1.17 0.05 0.00 -0.22 0.00 0.00 54.13 55.10 3dla s LEU 171 Cb -0.18 -3.16 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 3dla s LEU 171 CO -0.03 -0.27 -0.11 -2.28 -1.32 0.00 0.00 176.35 172.34 3dla s HIS 172 N 1.52 2.74 -0.05 5.38 5.65 -0.70 -0.04 115.29 129.79 3dla s HIS 172 Ca 0.38 -0.14 0.06 0.00 0.25 0.00 0.00 55.06 55.61 3dla s HIS 172 Cb -0.17 -1.52 -0.01 0.00 -1.18 0.00 0.00 32.58 29.70 3dla s HIS 172 CO 0.15 0.34 -0.24 0.08 -0.65 0.00 0.00 174.74 174.42 3dla s VAL 173 N -1.02 1.97 0.35 0.89 1.01 -1.26 -0.91 120.40 121.42 3dla s VAL 173 Ca 0.17 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.20 3dla s VAL 173 Cb -0.11 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3dla s VAL 173 CO 0.08 0.55 0.27 -1.84 0.00 0.00 0.00 175.10 174.16 3dla n GLU 174 N 2.87 0.43 -3.71 2.72 0.28 -0.12 -4.95 120.64 118.16 3dla n GLU 174 Ca -0.17 -3.39 -0.21 0.00 -0.16 0.00 0.00 57.16 53.23 3dla n GLU 174 Cb 0.52 2.65 -0.18 0.00 1.43 0.00 0.00 31.44 35.87 3dla n GLU 174 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3dla s ILE 175 N -3.34 0.08 0.00 3.84 1.01 -1.26 -2.47 121.20 119.06 3dla s ILE 175 Ca 0.38 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.32 3dla s ILE 175 Cb 0.02 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.17 3dla s ILE 175 CO 0.27 0.19 0.00 0.00 0.00 0.00 0.00 174.94 175.40 3dla h GLU 177 N 0.00 0.00 -0.96 0.00 4.57 -1.89 -2.03 114.58 114.26 3dla h GLU 177 Ca 0.00 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.38 3dla h GLU 177 Cb 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.50 3dla h GLU 177 CO 0.00 0.06 0.61 -0.44 -1.18 0.00 0.00 179.01 178.06 3dla h ASP 178 N 0.00 0.60 0.00 1.04 3.32 -0.91 0.51 116.42 120.98 3dla h ASP 178 Ca -0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3dla h ASP 178 Cb 0.18 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3dla h ASP 178 CO 0.01 0.23 0.00 0.80 -1.72 0.00 0.00 179.24 178.55 3dla n MET 179 N -4.63 0.68 0.00 3.56 1.56 -0.76 -3.91 117.12 113.61 3dla n MET 179 Ca 0.21 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.64 3dla n MET 179 Cb 0.64 -1.46 0.00 0.00 2.15 0.00 0.00 33.22 34.55 3dla n MET 179 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 3dla n PHE 180 N -0.96 0.00 -3.63 1.12 3.01 0.17 -4.91 117.46 112.25 3dla n PHE 180 Ca 0.15 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.31 3dla n PHE 180 Cb 0.07 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.50 3dla n PHE 180 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3dla s VAL 181 N -0.41 5.15 0.21 -4.37 -7.23 -1.24 -4.99 120.40 107.53 3dla s VAL 181 Ca 0.00 -0.06 -0.14 0.00 -1.81 0.00 0.00 61.98 59.97 3dla s VAL 181 Cb 0.00 -3.66 0.24 0.00 0.56 0.00 0.00 36.38 33.52 3dla s VAL 181 CO 0.00 -0.06 1.62 -0.65 -0.31 0.00 0.00 175.10 175.70 3dla h PRO 182 N 2.46 -0.02 -3.11 4.82 0.11 -1.96 -3.14 132.00 131.16 3dla h PRO 182 Ca -0.47 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 64.91 3dla h PRO 182 Cb 1.17 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.96 3dla h PRO 182 CO 0.71 -0.01 0.18 -0.12 -0.21 0.00 0.00 178.00 178.55 3dla n MET 183 N -5.45 3.29 -2.06 1.05 1.56 -1.26 -5.06 117.12 109.20 3dla n MET 183 Ca 0.08 -4.52 -0.37 0.00 -0.27 0.00 0.00 57.70 52.61 3dla n MET 183 Cb 0.34 -2.45 0.01 0.00 2.15 0.00 0.00 33.22 33.28 3dla n MET 183 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 3dla s PRO 184 N -1.88 3.47 0.44 2.12 0.02 -1.19 -4.89 135.00 133.08 3dla s PRO 184 Ca 0.31 1.96 0.28 0.00 0.02 0.00 0.00 61.00 63.56 3dla s PRO 184 Cb -0.02 -2.32 1.35 0.00 0.02 0.00 0.00 34.50 33.54 3dla s PRO 184 CO -0.04 -0.84 1.68 -1.35 -0.33 0.00 0.00 177.00 176.12 3dla h PRO 185 N 1.74 0.17 0.00 5.54 0.11 -1.93 -2.70 132.00 134.93 3dla h PRO 185 Ca -0.50 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 3dla h PRO 185 Cb 1.27 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3dla h PRO 185 CO 0.59 0.11 -0.57 0.66 -0.21 0.00 0.00 178.00 178.58 3dla h SER 186 N 0.17 0.00 -0.22 -2.05 4.64 -1.90 -2.81 113.55 111.38 3dla h SER 186 Ca 0.73 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 62.03 3dla h SER 186 Cb 2.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.34 3dla h SER 186 CO -0.32 0.55 0.08 0.00 -0.87 0.00 0.00 176.83 176.26 3dla h ALA 187 N 1.45 0.29 -0.38 5.18 0.00 -1.86 -0.04 119.26 123.90 3dla h ALA 187 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3dla h ALA 187 Cb 1.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3dla h ALA 187 CO 0.07 -0.10 -0.14 0.93 0.00 0.00 0.00 179.25 180.01 3dla h GLU 188 N 0.20 0.69 0.00 0.00 5.08 -1.65 -2.74 114.58 116.15 3dla h GLU 188 Ca 0.07 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 3dla h GLU 188 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3dla h GLU 188 CO -0.00 0.80 -0.35 0.00 -1.00 0.00 0.00 179.01 178.46 3dla h ALA 189 N 1.22 1.22 0.06 3.43 0.00 -1.23 -1.60 119.26 122.37 3dla h ALA 189 Ca 0.10 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3dla h ALA 189 Cb 0.59 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dla h ALA 189 CO 0.04 0.44 -0.58 0.00 0.00 0.00 0.00 179.25 179.14 3dla h ALA 190 N 1.65 -0.01 -1.06 0.00 0.00 -0.72 -1.12 119.26 118.00 3dla h ALA 190 Ca -0.00 -0.60 0.31 0.00 0.00 0.00 0.00 54.91 54.61 3dla h ALA 190 Cb 0.71 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3dla h ALA 190 CO 0.05 0.29 0.89 -0.07 0.00 0.00 0.00 179.25 180.41 3dla h LEU 191 N -0.36 0.00 0.00 0.00 3.38 -1.36 -0.80 115.31 116.17 3dla h LEU 191 Ca -0.09 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 3dla h LEU 191 Cb 1.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 3dla h LEU 191 CO 0.11 0.00 -1.38 0.00 0.09 0.00 0.00 178.44 177.26 3dla n ALA 192 N -2.58 2.05 0.00 1.53 0.00 -0.61 -4.91 120.51 115.99 3dla n ALA 192 Ca 0.23 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3dla n ALA 192 Cb 1.24 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3dla n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dla n GLY 193 N 1.36 -0.06 3.73 0.00 0.00 -0.31 -5.04 105.19 104.87 3dla n GLY 193 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3dla n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dla s ALA 194 N -0.45 3.68 -0.14 4.61 0.00 -0.52 -4.68 121.76 124.27 3dla s ALA 194 Ca 0.00 1.34 0.05 0.00 0.00 0.00 0.00 51.96 53.36 3dla s ALA 194 Cb 0.00 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.42 3dla s ALA 194 CO 0.00 -0.76 -0.06 0.25 0.00 0.00 0.00 175.76 175.19 3dla n THR 195 N 2.97 0.84 -4.02 0.00 -2.24 -0.06 -4.39 114.28 107.38 3dla n THR 195 Ca 0.09 -0.41 -0.34 0.00 -2.27 0.00 0.00 64.05 61.12 3dla n THR 195 Cb 0.40 -0.88 -0.14 0.00 -2.10 0.00 0.00 70.33 67.60 3dla n THR 195 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dla s VAL 196 N -2.30 3.09 -0.15 2.28 1.01 -1.09 -0.53 120.40 122.72 3dla s VAL 196 Ca -0.14 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3dla s VAL 196 Cb 0.04 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3dla s VAL 196 CO 0.41 0.45 -0.17 -0.76 0.00 0.00 0.00 175.10 175.03 3dla s LEU 197 N 1.35 2.37 0.05 3.92 1.43 -0.22 -1.73 118.68 125.85 3dla s LEU 197 Ca 0.04 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 3dla s LEU 197 Cb -0.14 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 3dla s LEU 197 CO -0.05 0.08 0.00 0.00 0.23 0.00 0.00 176.35 176.62 3dla s ALA 198 N 0.81 3.29 -0.07 4.21 0.00 -0.09 0.62 121.76 130.54 3dla s ALA 198 Ca -0.06 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 3dla s ALA 198 Cb -0.15 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 21.74 3dla s ALA 198 CO -0.01 0.68 0.12 1.21 0.00 0.00 0.00 175.76 177.76 3dla s ASN 199 N -1.94 0.74 -0.27 0.00 3.84 0.33 -0.95 114.94 116.69 3dla s ASN 199 Ca 0.23 0.24 -0.13 0.00 0.21 0.00 0.00 52.86 53.41 3dla s ASN 199 Cb -0.12 0.13 -0.04 0.00 -0.55 0.00 0.00 41.25 40.67 3dla s ASN 199 CO 0.14 -0.23 0.27 -0.76 -2.79 0.00 0.00 177.10 173.74 3dla s LEU 200 N 2.08 4.04 0.20 3.21 1.02 -1.03 -2.49 118.68 125.71 3dla s LEU 200 Ca 0.02 0.16 0.08 0.00 0.02 0.00 0.00 54.13 54.40 3dla s LEU 200 Cb -0.12 -2.27 -0.04 0.00 0.02 0.00 0.00 46.19 43.78 3dla s LEU 200 CO -0.05 -0.10 -0.01 -0.44 0.02 0.00 0.00 176.35 175.78 3dla s SER 201 N 1.60 4.68 -0.00 2.29 0.01 -0.56 -0.05 113.70 121.68 3dla s SER 201 Ca 0.11 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.89 3dla s SER 201 Cb -0.16 -0.95 -0.00 0.00 0.21 0.00 0.00 66.02 65.12 3dla s SER 201 CO 0.10 0.06 -0.01 0.61 0.41 0.00 0.00 173.24 174.41 3dla n GLY 202 N -0.34 -0.46 3.26 3.44 0.00 -1.26 -0.62 105.19 109.21 3dla n GLY 202 Ca -0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 3dla n GLY 202 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dla n SER 203 N -2.54 -6.88 -4.67 1.61 2.88 -1.26 -3.01 113.62 99.75 3dla n SER 203 Ca -0.00 -0.47 -0.35 0.00 -1.33 0.00 0.00 58.87 56.72 3dla n SER 203 Cb 0.01 -4.70 0.11 0.00 -0.75 0.00 0.00 64.21 58.87 3dla n SER 203 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3dla n PRO 204 N -2.60 0.42 -3.72 -1.46 -0.02 -1.26 -4.77 135.00 121.59 3dla n PRO 204 Ca -0.06 0.21 -0.36 0.00 -2.02 0.00 0.00 63.50 61.27 3dla n PRO 204 Cb 0.57 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 3dla n PRO 204 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3dla s ILE 205 N -1.92 5.38 0.07 4.25 1.10 0.11 -4.99 121.20 125.20 3dla s ILE 205 Ca 0.75 0.36 0.02 0.00 -0.51 0.00 0.00 60.65 61.26 3dla s ILE 205 Cb -0.32 -3.51 -0.03 0.00 0.15 0.00 0.00 42.46 38.75 3dla s ILE 205 CO 0.49 0.51 -0.07 -0.89 -2.11 0.00 0.00 174.94 172.88 3dla s THR 206 N -0.32 0.58 0.18 4.00 2.01 -1.26 -4.52 115.64 116.31 3dla s THR 206 Ca 0.14 -1.52 -0.32 0.00 0.31 0.00 0.00 61.69 60.30 3dla s THR 206 Cb -0.13 -1.16 -0.16 0.00 0.01 0.00 0.00 72.50 71.07 3dla s THR 206 CO 0.03 -0.65 1.15 -0.38 -0.69 0.00 0.00 174.62 174.08 3dla n ILE 207 N 0.67 0.97 0.00 1.82 5.41 -1.26 -1.52 119.36 125.45 3dla n ILE 207 Ca -0.17 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.34 3dla n ILE 207 Cb 0.58 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.67 3dla n ILE 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dla n GLY 208 N 1.96 2.37 0.37 7.39 0.00 -1.26 -4.86 105.19 111.16 3dla n GLY 208 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 3dla n GLY 208 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3dla h ARG 209 N 1.23 1.16 -0.53 1.61 2.43 -1.68 -1.96 114.38 116.64 3dla h ARG 209 Ca 0.00 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 3dla h ARG 209 Cb 0.00 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.26 3dla h ARG 209 CO 0.00 0.77 0.11 0.00 -1.51 0.00 0.00 179.97 179.33 3dla h ALA 210 N 1.45 1.19 -0.45 2.80 0.00 -1.89 0.18 119.26 122.54 3dla h ALA 210 Ca 0.33 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3dla h ALA 210 Cb -0.11 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.41 3dla h ALA 210 CO -0.08 0.55 0.13 1.49 0.00 0.00 0.00 179.25 181.34 3dla h GLU 211 N 0.79 0.27 0.11 0.00 4.81 -1.78 -1.43 114.58 117.35 3dla h GLU 211 Ca 0.17 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3dla h GLU 211 Cb 0.32 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3dla h GLU 211 CO 0.00 0.18 -0.06 -0.44 -0.73 0.00 0.00 179.01 177.97 3dla h ASP 212 N 0.28 -0.13 -0.55 1.04 3.32 -1.02 -1.36 116.42 118.00 3dla h ASP 212 Ca 0.22 -0.18 0.11 0.00 0.02 0.00 0.00 57.03 57.20 3dla h ASP 212 Cb 0.25 0.03 -0.11 0.00 0.22 0.00 0.00 39.33 39.73 3dla h ASP 212 CO -0.25 0.11 -0.19 0.03 -1.72 0.00 0.00 179.24 177.21 3dla h ARG 213 N -0.37 -0.06 -0.35 3.56 3.08 -0.51 -1.99 114.38 117.74 3dla h ARG 213 Ca -0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3dla h ARG 213 Cb 0.30 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3dla h ARG 213 CO 0.03 -0.04 -0.16 0.00 -1.07 0.00 0.00 179.97 178.73 3dla h ARG 214 N -0.06 0.73 -0.37 0.04 3.08 -1.21 -1.40 114.38 115.19 3dla h ARG 214 Ca 0.26 -0.31 0.06 0.00 0.07 0.00 0.00 59.98 60.06 3dla h ARG 214 Cb 0.46 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 3dla h ARG 214 CO -0.59 0.92 0.04 1.25 -1.07 0.00 0.00 179.97 180.51 3dla h LEU 215 N 0.51 -0.07 -0.59 3.04 5.85 -0.86 0.56 115.31 123.74 3dla h LEU 215 Ca 0.08 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3dla h LEU 215 Cb 0.70 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3dla h LEU 215 CO 0.05 -0.00 0.16 -0.07 -0.34 0.00 0.00 178.44 178.24 3dla h LEU 216 N 0.14 0.88 -0.07 2.25 3.38 -1.39 -2.72 115.31 117.79 3dla h LEU 216 Ca 0.18 -0.22 -0.25 0.00 0.09 0.00 0.00 57.88 57.67 3dla h LEU 216 Cb 0.23 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dla h LEU 216 CO -0.27 0.87 -0.95 0.00 0.09 0.00 0.00 178.44 178.18 3dla h ALA 217 N 1.04 0.21 0.16 1.53 0.00 -0.98 -1.59 119.26 119.62 3dla h ALA 217 Ca 0.19 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3dla h ALA 217 Cb 0.33 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3dla h ALA 217 CO -0.00 0.69 -0.07 -0.09 0.00 0.00 0.00 179.25 179.78 3dla h ARG 218 N 0.43 -0.20 -0.27 0.00 2.43 -0.99 -1.69 114.38 114.10 3dla h ARG 218 Ca -0.10 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 3dla h ARG 218 Cb 1.60 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.18 3dla h ARG 218 CO 0.19 0.00 -0.28 0.66 -1.51 0.00 0.00 179.97 179.03 3dla h SER 219 N -0.37 0.55 -0.14 -3.80 4.64 -1.55 -1.45 113.55 111.43 3dla h SER 219 Ca -0.02 -0.20 0.02 0.00 -0.47 0.00 0.00 61.79 61.12 3dla h SER 219 Cb 0.29 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 3dla h SER 219 CO 0.04 0.81 -0.27 0.00 -0.87 0.00 0.00 176.83 176.54 3dla h ALA 220 N 1.23 -0.59 -0.20 5.18 0.00 -1.13 0.16 119.26 123.92 3dla h ALA 220 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3dla h ALA 220 Cb 0.73 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3dla h ALA 220 CO 0.06 -0.70 0.17 0.66 0.00 0.00 0.00 179.25 179.44 3dla h SER 221 N -0.23 0.00 0.05 0.00 4.64 -0.64 0.86 113.55 118.23 3dla h SER 221 Ca 0.03 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.15 3dla h SER 221 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3dla h SER 221 CO -0.25 0.00 -1.04 0.00 -0.87 0.00 0.00 176.83 174.67 3dla h ALA 222 N 1.84 0.17 -0.13 5.18 0.00 -1.09 0.73 119.26 125.96 3dla h ALA 222 Ca 0.09 -1.00 -0.06 0.00 0.00 0.00 0.00 54.91 53.95 3dla h ALA 222 Cb 0.44 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3dla h ALA 222 CO -0.00 0.60 -0.17 -0.09 0.00 0.00 0.00 179.25 179.58 3dla h ARG 223 N -0.69 0.21 -0.57 0.00 2.43 -0.25 -3.03 114.38 112.48 3dla h ARG 223 Ca -0.25 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3dla h ARG 223 Cb 1.44 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 3dla h ARG 223 CO -0.04 0.38 0.00 0.00 -1.51 0.00 0.00 179.97 178.80 3dla n LEU 225 N 0.84 -0.72 -4.19 0.00 4.32 -1.09 -4.91 117.00 111.26 3dla n LEU 225 Ca 0.24 -1.25 -0.11 0.00 -0.02 0.00 0.00 56.01 54.87 3dla n LEU 225 Cb 0.86 -1.54 -0.10 0.00 -1.62 0.00 0.00 43.42 41.03 3dla n LEU 225 CO 0.22 0.54 -0.31 0.00 -1.22 0.00 0.00 177.39 176.62 3dla s ALA 226 N -4.16 1.05 0.36 -1.18 0.00 0.23 -4.87 121.76 113.19 3dla s ALA 226 Ca 0.12 -1.52 -0.26 0.00 0.00 0.00 0.00 51.96 50.30 3dla s ALA 226 Cb -0.07 0.76 -0.09 0.00 0.00 0.00 0.00 23.12 23.72 3dla s ALA 226 CO 0.96 -0.43 1.07 0.00 0.00 0.00 0.00 175.76 177.36 3dla s ALA 227 N -3.90 3.18 -0.29 0.00 0.00 0.31 -0.90 121.76 120.16 3dla s ALA 227 Ca 0.24 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3dla s ALA 227 Cb 0.07 -3.29 0.09 0.00 0.00 0.00 0.00 23.12 19.99 3dla s ALA 227 CO 0.03 -0.21 0.05 -0.47 0.00 0.00 0.00 175.76 175.16 3dla s TYR 228 N -1.50 2.22 -0.20 0.00 5.04 0.40 -1.05 117.35 122.25 3dla s TYR 228 Ca 0.54 -1.91 -0.16 0.00 -2.44 0.00 0.00 57.07 53.10 3dla s TYR 228 Cb -0.25 -1.86 -0.04 0.00 0.35 0.00 0.00 41.96 40.16 3dla s TYR 228 CO 0.32 -0.84 0.42 0.08 -1.34 0.00 0.00 175.55 174.19 3dla s VAL 229 N 1.44 5.18 -0.03 3.14 1.01 0.20 -1.35 120.40 129.99 3dla s VAL 229 Ca 0.05 0.75 0.03 0.00 0.00 0.00 0.00 61.98 62.82 3dla s VAL 229 Cb -0.18 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 3dla s VAL 229 CO -0.16 0.23 -0.13 -0.47 0.00 0.00 0.00 175.10 174.58 3dla s TYR 230 N 1.40 1.32 -0.06 5.22 6.14 -0.08 -0.51 117.35 130.77 3dla s TYR 230 Ca 0.20 -0.35 -0.02 0.00 0.64 0.00 0.00 57.07 57.53 3dla s TYR 230 Cb -0.15 -0.91 0.03 0.00 0.42 0.00 0.00 41.96 41.36 3dla s TYR 230 CO 0.08 -0.13 0.06 0.00 0.64 0.00 0.00 175.55 176.21 3dla s ALA 231 N 0.11 0.29 0.29 3.97 0.00 -1.04 -1.74 121.76 123.64 3dla s ALA 231 Ca -0.03 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.09 3dla s ALA 231 Cb -0.10 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 3dla s ALA 231 CO 0.01 -0.60 0.30 0.00 0.00 0.00 0.00 175.76 175.47 3dla s ALA 232 N 2.15 3.83 0.37 0.00 0.00 0.14 -1.49 121.76 126.76 3dla s ALA 232 Ca 0.04 -1.47 -0.14 0.00 0.00 0.00 0.00 51.96 50.39 3dla s ALA 232 Cb -0.13 -1.39 -0.08 0.00 0.00 0.00 0.00 23.12 21.52 3dla s ALA 232 CO -0.04 0.13 0.78 0.00 0.00 0.00 0.00 175.76 176.62 3dla s ALA 233 N -2.17 3.29 0.00 0.00 0.00 -1.16 -4.27 121.76 117.45 3dla s ALA 233 Ca 0.38 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3dla s ALA 233 Cb -0.08 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.24 3dla s ALA 233 CO 0.27 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.62 3dla n GLY 234 N -0.75 4.18 3.72 0.00 0.00 -1.26 -1.10 105.19 109.99 3dla n GLY 234 Ca 0.04 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 3dla n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dla s GLU 235 N 3.22 4.17 0.00 1.61 2.02 -1.26 -2.75 118.70 125.71 3dla s GLU 235 Ca 0.00 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.47 3dla s GLU 235 Cb 0.00 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.12 3dla s GLU 235 CO 0.00 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.03 3dla n GLY 236 N 3.61 2.03 3.67 -1.39 0.00 -1.25 -1.43 105.19 110.44 3dla n GLY 236 Ca 0.14 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 3dla n GLY 236 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dla n GLU 237 N 0.00 1.05 -1.88 1.61 -0.58 -1.11 -4.15 120.64 115.58 3dla n GLU 237 Ca 0.00 0.41 -0.41 0.00 -0.42 0.00 0.00 57.16 56.73 3dla n GLU 237 Cb 0.00 -2.34 -0.02 0.00 -0.57 0.00 0.00 31.44 28.52 3dla n GLU 237 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3dla s SER 238 N -1.27 6.48 -0.32 1.62 0.15 -1.26 -4.93 113.70 114.18 3dla s SER 238 Ca 0.78 2.85 0.08 0.00 0.70 0.00 0.00 55.95 60.37 3dla s SER 238 Cb -0.40 -2.64 0.57 0.00 -1.71 0.00 0.00 66.02 61.84 3dla s SER 238 CO 0.45 -0.82 1.60 0.35 1.20 0.00 0.00 173.24 176.01 3dla n THR 239 N 1.95 2.72 -0.30 6.45 -2.24 -1.26 -4.54 114.28 117.06 3dla n THR 239 Ca 0.06 -2.39 0.10 0.00 -2.27 0.00 0.00 64.05 59.56 3dla n THR 239 Cb 0.39 -0.35 0.27 0.00 -2.10 0.00 0.00 70.33 68.53 3dla n THR 239 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3dla h THR 240 N 1.20 0.62 0.00 4.28 2.02 -1.99 -3.35 112.91 115.69 3dla h THR 240 Ca 0.30 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3dla h THR 240 Cb 1.98 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3dla h THR 240 CO 0.57 0.10 0.00 0.47 0.37 0.00 0.00 175.52 177.03 3dla n ASP 241 N -4.93 0.10 -3.64 4.18 8.00 -1.26 -5.12 116.55 113.87 3dla n ASP 241 Ca 0.20 -1.03 -0.12 0.00 0.71 0.00 0.00 54.79 54.55 3dla n ASP 241 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.58 3dla n ASP 241 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dla s LEU 242 N -0.03 0.35 0.17 0.64 1.43 -1.26 -5.17 118.68 114.82 3dla s LEU 242 Ca 0.00 -0.15 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 3dla s LEU 242 Cb 0.00 1.83 -0.04 0.00 0.03 0.00 0.00 46.19 48.01 3dla s LEU 242 CO 0.00 -0.77 -0.12 0.00 0.23 0.00 0.00 176.35 175.69 3dla s ALA 243 N -3.16 2.87 0.08 4.21 0.00 -1.26 -4.03 121.76 120.47 3dla s ALA 243 Ca -0.01 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 50.54 3dla s ALA 243 Cb 0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3dla s ALA 243 CO -0.07 0.48 -0.17 -1.58 0.00 0.00 0.00 175.76 174.41 3dla s TRP 244 N -1.63 1.50 -0.01 0.00 0.52 -1.26 0.06 118.94 118.13 3dla s TRP 244 Ca 0.24 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 55.94 3dla s TRP 244 Cb -0.09 -0.85 -0.00 0.00 -1.15 0.00 0.00 33.47 31.38 3dla s TRP 244 CO 0.14 0.12 0.10 -0.40 0.02 0.00 0.00 176.95 176.93 3dla n ASP 245 N 1.35 0.20 -1.17 2.95 5.68 -1.22 -4.80 116.55 119.54 3dla n ASP 245 Ca -0.20 -0.60 -0.15 0.00 -0.50 0.00 0.00 54.79 53.35 3dla n ASP 245 Cb 0.54 0.81 -0.06 0.00 -1.14 0.00 0.00 41.12 41.27 3dla n ASP 245 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dla n GLY 246 N 0.82 1.49 3.76 6.12 0.00 -0.25 -0.24 105.19 116.88 3dla n GLY 246 Ca 0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3dla n GLY 246 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dla s GLN 247 N -3.31 4.17 0.08 1.61 0.74 -1.26 -4.72 119.66 116.97 3dla s GLN 247 Ca 0.00 2.48 0.05 0.00 0.05 0.00 0.00 55.36 57.94 3dla s GLN 247 Cb 0.00 -3.03 -0.03 0.00 1.10 0.00 0.00 33.01 31.05 3dla s GLN 247 CO 0.00 -0.50 -0.14 0.95 -0.55 0.00 0.00 175.29 175.05 3dla s THR 248 N -0.54 1.16 -0.06 -0.34 -4.23 -1.26 -0.69 115.64 109.67 3dla s THR 248 Ca 0.57 -1.42 -0.14 0.00 -1.18 0.00 0.00 61.69 59.52 3dla s THR 248 Cb -0.45 -1.19 0.03 0.00 1.34 0.00 0.00 72.50 72.22 3dla s THR 248 CO 0.53 -0.28 0.34 -0.04 -0.54 0.00 0.00 174.62 174.62 3dla s MET 249 N -2.00 0.58 -0.14 3.99 1.00 -0.71 -1.75 119.30 120.27 3dla s MET 249 Ca 0.01 0.09 0.01 0.00 0.00 0.00 0.00 55.69 55.80 3dla s MET 249 Cb -0.08 0.26 0.02 0.00 0.00 0.00 0.00 34.83 35.03 3dla s MET 249 CO 0.02 -0.13 -0.17 0.42 0.00 0.00 0.00 175.02 175.16 3dla s ILE 250 N -0.72 1.74 -0.11 2.53 1.01 -0.43 -0.90 121.20 124.32 3dla s ILE 250 Ca -0.08 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.83 3dla s ILE 250 Cb -0.04 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 3dla s ILE 250 CO 0.03 0.49 -0.18 0.26 0.00 0.00 0.00 174.94 175.54 3dla s TRP 251 N 1.17 2.69 -0.24 3.97 0.52 -0.46 -0.17 118.94 126.43 3dla s TRP 251 Ca -0.01 -0.76 0.00 0.00 0.02 0.00 0.00 56.10 55.35 3dla s TRP 251 Cb -0.14 -1.77 0.04 0.00 -1.15 0.00 0.00 33.47 30.45 3dla s TRP 251 CO -0.07 -0.26 -0.10 -2.00 0.02 0.00 0.00 176.95 174.54 3dla s GLU 252 N 0.25 2.65 -1.57 4.98 2.12 0.54 0.15 118.70 127.82 3dla s GLU 252 Ca -0.12 -1.08 -0.10 0.00 0.36 0.00 0.00 54.97 54.03 3dla s GLU 252 Cb -0.16 -2.88 0.08 0.00 0.26 0.00 0.00 34.13 31.43 3dla s GLU 252 CO 0.06 -0.43 0.59 -1.71 -0.54 0.00 0.00 175.26 173.24 3dla n ASN 253 N 4.58 -1.84 0.00 -1.70 5.15 -0.08 -0.65 115.26 120.72 3dla n ASN 253 Ca -0.16 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 52.79 3dla n ASN 253 Cb 0.46 -2.82 0.00 0.00 -0.53 0.00 0.00 39.78 36.89 3dla n ASN 253 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dla n GLY 254 N -1.72 1.84 3.87 8.20 0.00 -1.26 -4.63 105.19 111.49 3dla n GLY 254 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3dla n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dla s ALA 255 N -2.40 3.78 -0.25 4.61 0.00 0.17 -4.99 121.76 122.69 3dla s ALA 255 Ca 0.00 -0.44 -0.27 0.00 0.00 0.00 0.00 51.96 51.24 3dla s ALA 255 Cb 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.94 3dla s ALA 255 CO 0.00 0.59 0.97 -1.17 0.00 0.00 0.00 175.76 176.15 3dla s LEU 256 N -1.63 4.07 -0.06 0.00 0.20 -1.26 -0.34 118.68 119.65 3dla s LEU 256 Ca 0.28 1.20 0.07 0.00 0.69 0.00 0.00 54.13 56.37 3dla s LEU 256 Cb -0.14 -3.42 -0.24 0.00 -0.43 0.00 0.00 46.19 41.96 3dla s LEU 256 CO 0.15 -0.66 0.58 0.18 -0.29 0.00 0.00 176.35 176.32 3dla n LEU 257 N 6.31 1.38 -3.46 -0.68 4.32 0.76 -4.95 117.00 120.69 3dla n LEU 257 Ca 0.10 0.36 -0.12 0.00 -0.02 0.00 0.00 56.01 56.33 3dla n LEU 257 Cb 0.47 -0.20 -0.02 0.00 -1.62 0.00 0.00 43.42 42.04 3dla n LEU 257 CO 0.52 0.52 0.50 0.00 -1.22 0.00 0.00 177.39 177.71 3dla s ALA 258 N -2.59 -1.69 -0.03 -1.18 0.00 -1.16 -4.88 121.76 110.24 3dla s ALA 258 Ca -0.10 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 3dla s ALA 258 Cb 0.08 0.62 0.10 0.00 0.00 0.00 0.00 23.12 23.91 3dla s ALA 258 CO 0.81 -0.69 0.85 -1.83 0.00 0.00 0.00 175.76 174.90 3dla s GLU 259 N -3.24 0.85 0.36 0.00 -1.05 -1.26 -1.32 118.70 113.04 3dla s GLU 259 Ca 0.01 -0.11 0.08 0.00 -0.15 0.00 0.00 54.97 54.80 3dla s GLU 259 Cb -0.01 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 3dla s GLU 259 CO -0.09 -0.33 0.16 -1.54 0.95 0.00 0.00 175.26 174.41 3dla s SER 260 N -1.93 4.67 -0.05 0.83 1.04 -0.72 -4.88 113.70 112.67 3dla s SER 260 Ca 0.00 -0.81 -0.34 0.00 0.48 0.00 0.00 55.95 55.28 3dla s SER 260 Cb -0.01 -0.68 -0.12 0.00 0.10 0.00 0.00 66.02 65.31 3dla s SER 260 CO -0.04 -0.35 1.86 1.21 0.98 0.00 0.00 173.24 176.90 3dla n GLU 261 N -1.19 2.26 -2.13 4.02 2.13 -1.26 -4.59 120.64 119.89 3dla n GLU 261 Ca -0.02 0.83 -0.36 0.00 0.66 0.00 0.00 57.16 58.26 3dla n GLU 261 Cb 0.62 -2.68 0.01 0.00 0.27 0.00 0.00 31.44 29.66 3dla n GLU 261 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3dla s ARG 262 N 3.77 3.38 -1.28 5.31 0.52 -1.26 -3.82 118.95 125.57 3dla s ARG 262 Ca 0.91 1.81 -0.00 0.00 -0.52 0.00 0.00 55.73 57.93 3dla s ARG 262 Cb -0.66 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 32.64 3dla s ARG 262 CO 0.49 -0.88 0.77 1.19 0.02 0.00 0.00 175.30 176.89 3dla n PHE 263 N -1.03 -1.98 -2.04 -0.53 3.72 0.67 -4.91 117.46 111.36 3dla n PHE 263 Ca 0.10 0.86 -0.32 0.00 -0.05 0.00 0.00 57.45 58.04 3dla n PHE 263 Cb 0.49 -4.55 0.01 0.00 -0.94 0.00 0.00 39.48 34.48 3dla n PHE 263 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3dla s PRO 264 N -5.82 3.44 -0.59 -1.08 0.04 -1.25 -4.95 135.00 124.80 3dla s PRO 264 Ca 0.01 1.06 -0.21 0.00 0.04 0.00 0.00 61.00 61.90 3dla s PRO 264 Cb -0.00 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.55 3dla s PRO 264 CO 0.79 -0.70 0.81 0.15 0.04 0.00 0.00 177.00 178.09 3dla s LYS 265 N -4.33 3.13 0.00 4.56 -0.14 -1.26 -4.85 119.74 116.85 3dla s LYS 265 Ca 0.61 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 54.34 3dla s LYS 265 Cb -0.14 -4.18 0.00 0.00 -1.68 0.00 0.00 37.83 31.84 3dla s LYS 265 CO 0.40 -1.54 0.00 0.41 -0.76 0.00 0.00 175.35 173.85 3dla n GLY 266 N 5.24 1.13 3.76 -3.33 0.00 -1.26 -5.03 105.19 105.70 3dla n GLY 266 Ca -0.05 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.39 3dla n GLY 266 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dla s VAL 267 N -1.32 4.06 0.08 1.61 -7.23 -1.26 -4.96 120.40 111.38 3dla s VAL 267 Ca 0.00 1.93 0.05 0.00 -1.81 0.00 0.00 61.98 62.15 3dla s VAL 267 Cb 0.00 -4.17 -0.03 0.00 0.56 0.00 0.00 36.38 32.74 3dla s VAL 267 CO 0.00 0.35 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.86 3dla s ARG 268 N -1.54 0.88 -0.03 4.82 1.81 -1.06 -5.02 118.95 118.81 3dla s ARG 268 Ca 0.45 -1.03 0.02 0.00 -1.72 0.00 0.00 55.73 53.46 3dla s ARG 268 Cb -0.24 -0.88 0.01 0.00 -0.45 0.00 0.00 34.95 33.39 3dla s ARG 268 CO 0.30 0.19 -0.09 1.03 -0.68 0.00 0.00 175.30 176.05 3dla s ARG 269 N -1.95 1.04 -0.40 3.54 0.52 -1.26 -0.91 118.95 119.53 3dla s ARG 269 Ca 0.01 -0.31 -0.21 0.00 -0.52 0.00 0.00 55.73 54.70 3dla s ARG 269 Cb -0.09 -0.96 0.01 0.00 0.52 0.00 0.00 34.95 34.44 3dla s ARG 269 CO 0.02 0.10 0.69 -1.12 0.02 0.00 0.00 175.30 175.01 3dla s SER 270 N 0.28 6.41 -0.11 0.23 0.01 -0.30 -4.83 113.70 115.39 3dla s SER 270 Ca -0.05 -0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 3dla s SER 270 Cb -0.10 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 3dla s SER 270 CO 0.01 -0.73 -0.09 -0.69 0.41 0.00 0.00 173.24 172.15 3dla s VAL 271 N 2.91 3.48 0.08 3.43 1.01 -1.26 -0.76 120.40 129.29 3dla s VAL 271 Ca 0.26 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3dla s VAL 271 Cb -0.14 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.80 3dla s VAL 271 CO 0.18 0.54 0.34 0.00 0.00 0.00 0.00 175.10 176.16 3dla s ALA 272 N -0.05 -0.77 -0.44 5.51 0.00 -0.47 -4.89 121.76 120.64 3dla s ALA 272 Ca -0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.73 3dla s ALA 272 Cb -0.14 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.49 3dla s ALA 272 CO 0.03 -0.51 0.49 -0.51 0.00 0.00 0.00 175.76 175.26 3dla s ASP 273 N -2.42 6.21 0.07 0.00 1.01 -0.76 -1.26 116.67 119.51 3dla s ASP 273 Ca -0.01 -0.73 -0.30 0.00 0.71 0.00 0.00 52.55 52.22 3dla s ASP 273 Cb 0.01 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.65 3dla s ASP 273 CO -0.07 -0.66 0.97 -0.69 0.21 0.00 0.00 175.17 174.93 3dla s VAL 274 N 2.26 4.63 -0.65 -1.27 1.01 0.13 -4.81 120.40 121.70 3dla s VAL 274 Ca 0.13 2.05 -0.23 0.00 0.00 0.00 0.00 61.98 63.93 3dla s VAL 274 Cb -0.18 -4.31 0.07 0.00 0.00 0.00 0.00 36.38 31.96 3dla s VAL 274 CO 0.13 0.25 0.97 -0.62 0.00 0.00 0.00 175.10 175.84 3dla s ASP 275 N 0.42 6.19 0.49 3.32 -1.08 -1.26 -1.31 116.67 123.43 3dla s ASP 275 Ca 0.49 -0.91 0.31 0.00 -0.52 0.00 0.00 52.55 51.92 3dla s ASP 275 Cb -0.23 -2.42 1.20 0.00 -1.46 0.00 0.00 42.92 40.01 3dla s ASP 275 CO 0.29 -1.44 1.90 0.71 0.52 0.00 0.00 175.17 177.16 3dla h THR 276 N 5.98 0.00 0.12 1.71 1.35 -1.52 -2.83 112.91 117.72 3dla h THR 276 Ca -0.29 -0.52 -0.27 0.00 -0.55 0.00 0.00 66.41 64.78 3dla h THR 276 Cb 1.07 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 68.97 3dla h THR 276 CO 1.18 0.00 -1.23 -0.33 -0.25 0.00 0.00 175.52 174.89 3dla h GLU 277 N 0.00 0.29 -0.13 4.72 5.08 -1.89 0.21 114.58 122.87 3dla h GLU 277 Ca 0.00 -0.48 0.04 0.00 -1.00 0.00 0.00 59.36 57.92 3dla h GLU 277 Cb 0.54 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 3dla h GLU 277 CO 0.00 1.22 -0.15 1.25 -1.00 0.00 0.00 179.01 180.33 3dla h LEU 278 N 0.09 -0.47 -0.21 1.33 6.46 -1.87 0.99 115.31 121.62 3dla h LEU 278 Ca -0.13 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 3dla h LEU 278 Cb 1.95 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 42.10 3dla h LEU 278 CO 0.20 -0.20 0.08 -0.07 -0.62 0.00 0.00 178.44 177.84 3dla h LEU 279 N -0.19 0.29 -0.88 2.25 3.38 -1.48 -0.59 115.31 118.10 3dla h LEU 279 Ca 0.09 -0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.08 3dla h LEU 279 Cb 0.32 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.89 3dla h LEU 279 CO -0.24 0.38 0.43 -0.09 0.09 0.00 0.00 178.44 179.01 3dla h ARG 280 N 0.19 0.52 0.11 1.13 2.43 -0.59 -0.70 114.38 117.46 3dla h ARG 280 Ca 0.07 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.94 3dla h ARG 280 Cb 0.18 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3dla h ARG 280 CO -0.01 0.34 -1.20 0.77 -1.51 0.00 0.00 179.97 178.37 3dla h SER 281 N 0.53 0.42 -0.50 -3.80 0.02 -0.06 -0.01 113.55 110.15 3dla h SER 281 Ca 0.51 -0.43 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 3dla h SER 281 Cb 0.85 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 3dla h SER 281 CO -0.44 1.33 0.03 -0.33 -1.14 0.00 0.00 176.83 176.28 3dla h GLU 282 N 0.09 0.87 -0.17 3.45 4.39 -0.80 -2.81 114.58 119.59 3dla h GLU 282 Ca -0.12 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.28 3dla h GLU 282 Cb 1.92 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.48 3dla h GLU 282 CO 0.20 0.89 -0.05 0.00 -1.16 0.00 0.00 179.01 178.88 3dla h ARG 283 N 0.74 0.34 -1.09 2.33 3.08 -0.99 -1.65 114.38 117.14 3dla h ARG 283 Ca 0.15 -0.14 0.34 0.00 0.07 0.00 0.00 59.98 60.40 3dla h ARG 283 Cb 0.47 -0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.37 3dla h ARG 283 CO 0.02 0.62 0.66 -0.07 -1.07 0.00 0.00 179.97 180.13 3dla h LEU 284 N 0.05 0.44 0.02 3.04 3.38 -0.96 -3.16 115.31 118.11 3dla h LEU 284 Ca 0.04 0.15 -0.37 0.00 0.09 0.00 0.00 57.88 57.79 3dla h LEU 284 Cb 0.50 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 3dla h LEU 284 CO 0.02 -0.09 -2.29 0.54 0.09 0.00 0.00 178.44 176.71 3dla n ARG 285 N -4.86 0.68 -2.68 1.13 1.74 -1.06 -4.71 116.66 106.89 3dla n ARG 285 Ca 0.32 0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 57.12 3dla n ARG 285 Cb 1.07 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.89 3dla n ARG 285 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3dla s MET 286 N -2.53 3.45 0.31 5.56 1.75 -0.63 -4.84 119.30 122.37 3dla s MET 286 Ca -0.24 -1.05 0.16 0.00 -1.25 0.00 0.00 55.69 53.32 3dla s MET 286 Cb 0.08 -4.87 0.36 0.00 2.84 0.00 0.00 34.83 33.23 3dla s MET 286 CO 0.71 -2.05 1.58 0.78 -0.65 0.00 0.00 175.02 175.39 3dla h GLY 287 N 12.12 0.00 2.00 2.11 0.00 -1.84 -2.88 103.07 114.58 3dla h GLY 287 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3dla h GLY 287 CO 1.29 0.00 -0.05 -0.91 0.00 0.00 0.00 176.54 176.88 3dla h THR 288 N 0.00 0.44 0.75 4.70 1.35 -1.95 -0.48 112.91 117.72 3dla h THR 288 Ca -0.00 -0.24 -0.03 0.00 -0.55 0.00 0.00 66.41 65.58 3dla h THR 288 Cb 1.17 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3dla h THR 288 CO 0.06 0.05 -0.46 0.15 -0.25 0.00 0.00 175.52 175.07 3dla h PHE 289 N 0.00 -1.22 -0.36 4.73 3.04 -1.87 0.23 116.94 121.49 3dla h PHE 289 Ca -0.00 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.94 3dla h PHE 289 Cb 0.16 0.43 -0.02 0.00 2.56 0.00 0.00 35.95 39.08 3dla h PHE 289 CO 0.00 -0.68 0.24 0.22 -2.02 0.00 0.00 178.31 176.07 3dla h ASP 290 N -1.13 0.41 -0.72 0.41 3.58 -1.52 -1.88 116.42 115.57 3dla h ASP 290 Ca -0.10 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 3dla h ASP 290 Cb 0.90 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 3dla h ASP 290 CO 0.10 0.29 0.27 0.44 -2.88 0.00 0.00 179.24 177.46 3dla h ASP 291 N 0.48 1.01 -0.76 2.28 3.32 -0.79 -1.83 116.42 120.13 3dla h ASP 291 Ca 0.13 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3dla h ASP 291 Cb -0.04 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.21 3dla h ASP 291 CO -0.03 0.92 0.39 -1.13 -1.72 0.00 0.00 179.24 177.67 3dla h ASN 292 N 1.04 0.99 -0.45 6.45 -1.24 -0.17 -0.99 115.58 121.22 3dla h ASN 292 Ca 0.24 -0.10 0.02 0.00 0.71 0.00 0.00 56.30 57.17 3dla h ASN 292 Cb 0.24 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 3dla h ASN 292 CO -0.02 0.82 0.26 -0.09 -1.29 0.00 0.00 177.43 177.12 3dla h ARG 293 N 1.09 0.51 -0.24 6.67 2.43 -1.17 -1.67 114.38 122.01 3dla h ARG 293 Ca 0.27 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3dla h ARG 293 Cb 0.08 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3dla h ARG 293 CO -0.04 0.34 -0.13 0.00 -1.51 0.00 0.00 179.97 178.63 3dla h ARG 294 N 0.53 0.39 -0.43 0.20 3.08 -0.98 -0.85 114.38 116.32 3dla h ARG 294 Ca 0.18 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3dla h ARG 294 Cb 0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3dla h ARG 294 CO -0.08 0.53 0.17 1.25 -1.07 0.00 0.00 179.97 180.76 3dla h HIS 295 N 0.37 0.65 -1.88 3.04 2.76 -0.81 -3.14 115.15 116.13 3dla h HIS 295 Ca 0.07 -0.05 -0.75 0.00 -2.20 0.00 0.00 60.37 57.44 3dla h HIS 295 Cb 0.46 -0.19 -0.24 0.00 1.55 0.00 0.00 27.41 28.98 3dla h HIS 295 CO 0.01 0.57 1.10 0.72 -1.30 0.00 0.00 177.93 179.03 3dla n HIS 296 N -4.62 2.69 -0.04 5.26 8.25 -0.38 -4.80 115.22 121.59 3dla n HIS 296 Ca 0.00 -2.40 -0.12 0.00 -0.26 0.00 0.00 57.72 54.94 3dla n HIS 296 Cb 0.15 -1.28 -0.06 0.00 1.12 0.00 0.00 29.99 29.92 3dla n HIS 296 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3dla h ARG 297 N 3.57 0.23 -0.64 -0.41 2.43 -1.37 -1.81 114.38 116.39 3dla h ARG 297 Ca 0.55 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.67 3dla h ARG 297 Cb 0.24 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3dla h ARG 297 CO 1.28 0.44 0.43 1.49 -1.51 0.00 0.00 179.97 182.09 3dla h GLU 298 N -0.00 0.79 -0.05 0.20 4.22 -1.89 0.89 114.58 118.74 3dla h GLU 298 Ca 0.04 -0.05 -0.12 0.00 0.08 0.00 0.00 59.36 59.31 3dla h GLU 298 Cb 0.32 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3dla h GLU 298 CO 0.00 0.52 -0.51 1.25 -2.18 0.00 0.00 179.01 178.09 3dla h LEU 299 N 0.81 0.16 0.00 1.64 5.85 -1.90 -3.33 115.31 118.53 3dla h LEU 299 Ca 0.25 -0.08 -0.34 0.00 0.84 0.00 0.00 57.88 58.56 3dla h LEU 299 Cb -0.00 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3dla h LEU 299 CO -0.06 0.64 -2.34 0.35 -0.34 0.00 0.00 178.44 176.69 3dla n THR 300 N -3.94 1.26 0.25 1.05 -2.24 -0.70 -4.29 114.28 105.68 3dla n THR 300 Ca -0.02 -0.82 0.15 0.00 -2.27 0.00 0.00 64.05 61.09 3dla n THR 300 Cb 0.54 -0.43 0.52 0.00 -2.10 0.00 0.00 70.33 68.86 3dla n THR 300 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3dla h GLU 301 N 0.00 0.00 -0.29 -0.78 5.08 -0.98 -3.23 114.58 114.38 3dla h GLU 301 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3dla h GLU 301 Cb 2.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.38 3dla h GLU 301 CO 0.03 0.04 0.00 -1.13 -1.00 0.00 0.00 179.01 176.95 3dla n SER 302 N -3.14 1.92 -4.78 1.42 3.41 -1.25 -4.93 113.62 106.28 3dla n SER 302 Ca 0.01 -1.88 -0.37 0.00 -0.26 0.00 0.00 58.87 56.38 3dla n SER 302 Cb 0.39 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 3dla n SER 302 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3dla s PHE 303 N -1.62 3.13 0.23 7.33 0.40 -1.22 -5.02 117.98 121.21 3dla s PHE 303 Ca 0.29 1.60 -0.04 0.00 -0.60 0.00 0.00 56.93 58.17 3dla s PHE 303 Cb 0.15 -3.23 -0.05 0.00 0.51 0.00 0.00 43.02 40.40 3dla s PHE 303 CO 0.21 -0.96 0.47 1.03 0.70 0.00 0.00 175.22 176.68 3dla s ARG 304 N -2.53 3.62 -0.15 0.44 0.52 0.20 -4.96 118.95 116.09 3dla s ARG 304 Ca 0.59 -0.06 -0.02 0.00 -0.52 0.00 0.00 55.73 55.72 3dla s ARG 304 Cb -0.25 -2.74 0.05 0.00 0.52 0.00 0.00 34.95 32.53 3dla s ARG 304 CO 0.31 0.33 0.01 0.50 0.02 0.00 0.00 175.30 176.47 3dla s ARG 305 N -3.20 0.77 -0.19 3.54 3.52 -1.26 -0.65 118.95 121.48 3dla s ARG 305 Ca 0.42 -0.29 -0.08 0.00 -0.13 0.00 0.00 55.73 55.66 3dla s ARG 305 Cb -0.11 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 3dla s ARG 305 CO 0.27 -0.51 0.08 0.42 -0.81 0.00 0.00 175.30 174.75 3dla s ILE 306 N 1.85 4.90 0.02 4.11 -1.09 0.25 -4.96 121.20 126.28 3dla s ILE 306 Ca 0.01 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 3dla s ILE 306 Cb -0.15 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 3dla s ILE 306 CO -0.07 0.45 0.09 -1.81 -1.23 0.00 0.00 174.94 172.37 3dla s ASP 307 N 0.45 5.72 -0.04 3.58 1.01 -1.26 -0.58 116.67 125.55 3dla s ASP 307 Ca 0.04 0.12 -0.08 0.00 0.71 0.00 0.00 52.55 53.35 3dla s ASP 307 Cb -0.12 -1.63 0.01 0.00 1.01 0.00 0.00 42.92 42.19 3dla s ASP 307 CO 0.00 0.24 0.19 0.72 0.21 0.00 0.00 175.17 176.53 3dla s PHE 308 N -1.27 -0.12 -0.18 4.23 -0.12 -0.92 -4.96 117.98 114.64 3dla s PHE 308 Ca 0.26 0.26 -0.20 0.00 -0.05 0.00 0.00 56.93 57.20 3dla s PHE 308 Cb -0.12 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.27 3dla s PHE 308 CO 0.17 -0.20 0.58 0.00 -0.05 0.00 0.00 175.22 175.73 3dla s ALA 309 N -0.58 3.52 -0.05 1.99 0.00 -1.26 -0.27 121.76 125.11 3dla s ALA 309 Ca -0.07 -0.27 0.13 0.00 0.00 0.00 0.00 51.96 51.75 3dla s ALA 309 Cb -0.04 -2.88 -0.13 0.00 0.00 0.00 0.00 23.12 20.06 3dla s ALA 309 CO 0.01 -0.42 1.03 1.25 0.00 0.00 0.00 175.76 177.63 3dla h LEU 310 N 7.83 0.00 -3.68 0.00 7.12 -1.95 -3.49 115.31 121.14 3dla h LEU 310 Ca -0.34 0.00 -0.44 0.00 0.13 0.00 0.00 57.88 57.23 3dla h LEU 310 Cb 1.15 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 3dla h LEU 310 CO 0.76 0.77 -0.83 -0.67 -0.13 0.00 0.00 178.44 178.34 3dla n ASP 311 N -3.11 -3.41 -4.60 1.25 2.03 -1.26 -4.92 116.55 102.52 3dla n ASP 311 Ca -0.07 -0.93 -0.29 0.00 0.52 0.00 0.00 54.79 54.02 3dla n ASP 311 Cb 0.89 -1.24 0.15 0.00 -0.72 0.00 0.00 41.12 40.21 3dla n ASP 311 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3dla s PRO 312 N -5.96 0.80 0.33 -0.67 0.04 -1.26 -4.96 135.00 123.33 3dla s PRO 312 Ca 0.24 0.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.16 3dla s PRO 312 Cb -0.13 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 3dla s PRO 312 CO 0.74 -2.40 1.34 -1.25 0.04 0.00 0.00 177.00 175.46 3dla s PRO 313 N -5.36 4.32 -0.06 0.56 0.04 -1.26 -4.97 135.00 128.27 3dla s PRO 313 Ca 0.66 2.26 0.12 0.00 0.04 0.00 0.00 61.00 64.08 3dla s PRO 313 Cb -0.13 -3.06 -0.23 0.00 0.04 0.00 0.00 34.50 31.11 3dla s PRO 313 CO 0.54 -0.24 0.58 0.00 0.04 0.00 0.00 177.00 177.91 3dla n ALA 314 N 0.87 1.45 -1.00 8.56 0.00 -1.26 -4.72 120.51 124.41 3dla n ALA 314 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3dla n ALA 314 Cb 0.41 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3dla n ALA 314 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dla n GLY 315 N 1.61 -2.39 3.64 0.00 0.00 -1.26 -4.55 105.19 102.24 3dla n GLY 315 Ca -0.20 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 3dla n GLY 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dla s ASP 316 N -1.50 6.91 -0.11 1.61 -1.08 -1.26 -4.24 116.67 116.99 3dla s ASP 316 Ca 0.00 1.05 0.15 0.00 -0.52 0.00 0.00 52.55 53.23 3dla s ASP 316 Cb 0.00 -2.50 0.32 0.00 -1.46 0.00 0.00 42.92 39.28 3dla s ASP 316 CO 0.00 -0.74 1.16 2.30 0.52 0.00 0.00 175.17 178.41 3dla n ILE 317 N 5.61 1.31 -4.89 4.11 -5.35 -1.26 -5.05 119.36 113.84 3dla n ILE 317 Ca 0.10 -2.01 0.00 0.00 -0.27 0.00 0.00 62.75 60.57 3dla n ILE 317 Cb 0.47 0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 3dla n ILE 317 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dla n GLY 318 N -0.68 0.69 2.80 3.28 0.00 -1.26 -4.74 105.19 105.28 3dla n GLY 318 Ca 0.12 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 3dla n GLY 318 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dla s LEU 319 N 0.00 -0.27 -1.46 0.99 1.98 -1.26 -4.36 118.68 114.30 3dla s LEU 319 Ca 0.00 -0.14 -0.12 0.00 -2.89 0.00 0.00 54.13 50.98 3dla s LEU 319 Cb 0.00 0.61 0.04 0.00 0.66 0.00 0.00 46.19 47.49 3dla s LEU 319 CO 0.00 -0.32 2.36 0.18 -1.89 0.00 0.00 176.35 176.67 3dla n LEU 320 N 5.33 7.38 -3.72 -0.68 4.32 -1.26 -4.84 117.00 123.53 3dla n LEU 320 Ca -0.05 -4.34 -0.13 0.00 -0.02 0.00 0.00 56.01 51.47 3dla n LEU 320 Cb 0.49 -1.58 -0.10 0.00 -1.62 0.00 0.00 43.42 40.61 3dla n LEU 320 CO 0.07 1.46 0.11 -0.60 -1.22 0.00 0.00 177.39 177.20 3dla s ARG 321 N 2.15 0.53 -0.39 3.23 3.52 -1.26 -1.84 118.95 124.89 3dla s ARG 321 Ca 0.52 0.53 -0.24 0.00 -0.13 0.00 0.00 55.73 56.42 3dla s ARG 321 Cb 0.15 0.25 0.01 0.00 -1.56 0.00 0.00 34.95 33.80 3dla s ARG 321 CO -0.07 -0.07 0.80 -2.00 -0.81 0.00 0.00 175.30 173.15 3dla s GLU 322 N 0.09 3.68 -0.36 5.12 2.12 -1.26 -5.02 118.70 123.06 3dla s GLU 322 Ca -0.01 0.24 -0.07 0.00 0.36 0.00 0.00 54.97 55.49 3dla s GLU 322 Cb -0.03 -3.84 0.05 0.00 0.26 0.00 0.00 34.13 30.56 3dla s GLU 322 CO 0.01 -0.94 0.15 0.08 -0.54 0.00 0.00 175.26 174.02 3dla s VAL 323 N 3.21 3.93 0.40 3.70 1.01 -1.26 -5.09 120.40 126.30 3dla s VAL 323 Ca 0.32 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 3dla s VAL 323 Cb -0.13 -3.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.87 3dla s VAL 323 CO 0.19 -0.26 1.10 -0.62 0.00 0.00 0.00 175.10 175.51 3dla n GLU 324 N 4.84 1.57 0.13 2.72 -0.58 -1.26 -4.43 120.64 123.63 3dla n GLU 324 Ca -0.12 0.56 -0.02 0.00 -0.42 0.00 0.00 57.16 57.16 3dla n GLU 324 Cb 0.44 -2.13 0.16 0.00 -0.57 0.00 0.00 31.44 29.34 3dla n GLU 324 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dla h ARG 325 N 1.82 0.02 -3.64 3.49 3.08 -1.85 -3.42 114.38 113.89 3dla h ARG 325 Ca -0.45 -0.02 -0.61 0.00 0.07 0.00 0.00 59.98 58.98 3dla h ARG 325 Cb 1.32 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.97 3dla h ARG 325 CO 0.59 0.64 -0.74 -0.06 -1.07 0.00 0.00 179.97 179.33 3dla s PHE 326 N -3.60 2.26 -0.31 3.04 0.40 -1.26 -4.81 117.98 113.70 3dla s PHE 326 Ca -0.01 -2.23 0.27 0.00 -0.60 0.00 0.00 56.93 54.36 3dla s PHE 326 Cb 0.13 -2.05 1.05 0.00 0.51 0.00 0.00 43.02 42.65 3dla s PHE 326 CO 0.77 -0.86 1.80 -1.35 0.70 0.00 0.00 175.22 176.28 3dla h PRO 327 N 7.59 0.00 -0.11 0.24 0.11 -1.89 0.11 132.00 138.04 3dla h PRO 327 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3dla h PRO 327 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3dla h PRO 327 CO 0.49 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.47 3dla n PHE 328 N -2.57 0.12 -3.64 0.65 3.01 -1.26 -4.76 117.46 109.00 3dla n PHE 328 Ca 0.02 -0.06 -0.29 0.00 1.01 0.00 0.00 57.45 58.13 3dla n PHE 328 Cb 0.30 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.64 3dla n PHE 328 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3dla s VAL 329 N -1.88 1.02 0.19 -4.37 1.01 0.37 -4.81 120.40 111.93 3dla s VAL 329 Ca 0.33 -2.25 -0.33 0.00 0.00 0.00 0.00 61.98 59.74 3dla s VAL 329 Cb 0.20 -1.72 -0.13 0.00 0.00 0.00 0.00 36.38 34.73 3dla s VAL 329 CO 0.31 -0.91 1.63 -2.65 0.00 0.00 0.00 175.10 173.48 3dla n PRO 330 N 3.77 2.44 -0.05 2.72 -0.02 -1.26 -4.44 135.00 138.16 3dla n PRO 330 Ca 0.09 0.88 -0.09 0.00 -2.02 0.00 0.00 63.50 62.36 3dla n PRO 330 Cb 0.36 -2.68 0.07 0.00 -0.02 0.00 0.00 33.50 31.23 3dla n PRO 330 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dla h ALA 331 N 6.16 0.79 -2.05 3.55 0.00 -1.88 -3.40 119.26 122.43 3dla h ALA 331 Ca -0.44 -0.43 -0.60 0.00 0.00 0.00 0.00 54.91 53.44 3dla h ALA 331 Cb 1.23 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3dla h ALA 331 CO 0.91 0.65 1.18 -3.47 0.00 0.00 0.00 179.25 178.52 3dla n ASP 332 N -4.05 3.53 -0.23 0.00 2.03 -1.26 -4.37 116.55 112.20 3dla n ASP 332 Ca -0.02 0.87 0.01 0.00 0.52 0.00 0.00 54.79 56.17 3dla n ASP 332 Cb 0.51 -1.41 0.12 0.00 -0.72 0.00 0.00 41.12 39.62 3dla n ASP 332 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3dla h PRO 333 N 10.13 0.56 -0.43 -0.67 0.11 -1.95 -0.88 132.00 138.87 3dla h PRO 333 Ca -0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3dla h PRO 333 Cb 1.27 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3dla h PRO 333 CO 0.95 0.37 0.02 1.96 -0.21 0.00 0.00 178.00 181.10 3dla h GLN 334 N 0.58 0.74 -0.73 1.05 4.20 -1.96 -2.00 115.11 117.00 3dla h GLN 334 Ca 0.33 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 3dla h GLN 334 Cb 0.34 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3dla h GLN 334 CO -0.26 0.80 0.26 -0.09 -0.67 0.00 0.00 178.83 178.87 3dla h ARG 335 N 0.59 1.10 -0.30 1.46 2.43 -1.87 -2.28 114.38 115.51 3dla h ARG 335 Ca 0.12 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3dla h ARG 335 Cb 0.45 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3dla h ARG 335 CO 0.02 0.92 0.15 1.25 -1.51 0.00 0.00 179.97 180.80 3dla h LEU 336 N 1.07 0.39 -0.65 3.80 5.85 -1.02 -0.84 115.31 123.90 3dla h LEU 336 Ca 0.24 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.96 3dla h LEU 336 Cb 0.25 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 3dla h LEU 336 CO -0.01 0.39 0.24 -0.61 -0.34 0.00 0.00 178.44 178.10 3dla h GLN 337 N 0.36 0.40 0.01 1.25 -0.00 -1.27 -0.69 115.11 115.16 3dla h GLN 337 Ca 0.10 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.73 3dla h GLN 337 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.49 3dla h GLN 337 CO -0.01 0.26 -0.00 0.37 0.00 0.00 0.00 178.83 179.44 3dla h GLN 338 N 0.41 -0.01 -0.43 1.69 5.75 -0.81 -1.03 115.11 120.68 3dla h GLN 338 Ca 0.34 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.89 3dla h GLN 338 Cb 0.45 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.96 3dla h GLN 338 CO -0.34 0.04 0.17 -0.44 -2.65 0.00 0.00 178.83 175.60 3dla h ASP 339 N -0.05 0.19 -0.48 -0.69 5.19 -0.75 -2.21 116.42 117.62 3dla h ASP 339 Ca -0.00 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.33 3dla h ASP 339 Cb 0.05 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 3dla h ASP 339 CO 0.00 0.15 -0.19 0.00 -3.12 0.00 0.00 179.24 176.08 3dla h TYR 341 N 0.82 -0.29 0.02 0.00 3.20 -0.94 -1.58 116.97 118.19 3dla h TYR 341 Ca 0.11 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3dla h TYR 341 Cb 0.76 0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.24 3dla h TYR 341 CO 0.05 -0.23 -0.01 0.93 -1.64 0.00 0.00 178.16 177.27 3dla h GLU 342 N -0.01 -0.02 -0.36 1.82 5.08 -0.76 -2.38 114.58 117.94 3dla h GLU 342 Ca 0.24 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 3dla h GLU 342 Cb 0.38 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 3dla h GLU 342 CO -0.53 0.58 -0.34 0.00 -1.00 0.00 0.00 179.01 177.73 3dla h ALA 343 N 0.31 -0.24 -0.61 3.43 0.00 -0.69 0.87 119.26 122.33 3dla h ALA 343 Ca -0.00 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3dla h ALA 343 Cb 0.61 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 3dla h ALA 343 CO 0.00 -0.75 0.26 -0.92 0.00 0.00 0.00 179.25 177.84 3dla h TYR 344 N -0.28 0.47 0.00 0.00 3.20 -1.30 -2.25 116.97 116.81 3dla h TYR 344 Ca 0.16 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.90 3dla h TYR 344 Cb 0.55 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3dla h TYR 344 CO -0.53 0.15 -0.72 -0.91 -1.64 0.00 0.00 178.16 174.51 3dla h ASN 345 N 0.47 0.00 0.13 -2.11 2.35 -0.75 -1.96 115.58 113.71 3dla h ASN 345 Ca 0.30 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 3dla h ASN 345 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3dla h ASN 345 CO -0.27 0.72 -0.06 0.40 -1.65 0.00 0.00 177.43 176.57 3dla h ILE 346 N 0.00 0.88 -0.37 2.81 2.04 -0.45 -0.02 117.51 122.39 3dla h ILE 346 Ca -0.01 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3dla h ILE 346 Cb 1.30 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3dla h ILE 346 CO 0.09 0.00 0.23 1.56 0.00 0.00 0.00 178.15 180.03 3dla h GLN 347 N -0.18 0.50 0.03 2.37 4.20 -1.26 0.50 115.11 121.27 3dla h GLN 347 Ca -0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3dla h GLN 347 Cb 0.14 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3dla h GLN 347 CO 0.03 0.37 -0.02 0.28 -0.67 0.00 0.00 178.83 178.82 3dla h VAL 348 N 0.48 1.20 -0.33 -0.54 2.07 -1.34 -2.60 116.25 115.19 3dla h VAL 348 Ca 0.13 -0.74 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 3dla h VAL 348 Cb -0.01 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3dla h VAL 348 CO -0.03 0.19 -0.26 0.77 0.02 0.00 0.00 177.57 178.26 3dla h SER 349 N -0.37 0.68 -0.64 0.57 4.64 -0.91 -0.44 113.55 117.08 3dla h SER 349 Ca -0.00 -0.25 0.13 0.00 -0.47 0.00 0.00 61.79 61.20 3dla h SER 349 Cb 0.34 -0.19 -0.12 0.00 -0.31 0.00 0.00 62.40 62.12 3dla h SER 349 CO 0.01 0.91 -0.11 1.23 -0.87 0.00 0.00 176.83 178.00 3dla h GLY 350 N 0.99 0.53 0.99 -0.77 0.00 -0.90 -2.49 103.07 101.41 3dla h GLY 350 Ca 0.08 0.18 -0.16 0.00 0.00 0.00 0.00 47.33 47.43 3dla h GLY 350 CO 0.06 -0.24 -0.52 -2.00 0.00 0.00 0.00 176.54 173.84 3dla h LEU 351 N 0.03 0.75 -0.85 3.11 6.46 -0.97 -2.81 115.31 121.03 3dla h LEU 351 Ca 0.32 -0.59 0.13 0.00 -0.12 0.00 0.00 57.88 57.62 3dla h LEU 351 Cb 0.50 -0.22 -0.09 0.00 -0.73 0.00 0.00 40.66 40.13 3dla h LEU 351 CO -0.63 1.21 0.46 -0.33 -0.62 0.00 0.00 178.44 178.52 3dla h GLU 352 N 0.33 0.66 0.07 1.25 5.08 -0.91 0.13 114.58 121.19 3dla h GLU 352 Ca -0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3dla h GLU 352 Cb 1.14 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3dla h GLU 352 CO 0.11 0.44 -0.03 0.37 -1.00 0.00 0.00 179.01 178.90 3dla h GLN 353 N 0.68 -0.09 -0.83 2.33 5.75 -1.40 0.14 115.11 121.69 3dla h GLN 353 Ca 0.45 0.01 0.14 0.00 -0.15 0.00 0.00 58.65 59.09 3dla h GLN 353 Cb 0.57 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 29.05 3dla h GLN 353 CO -0.33 0.10 0.43 -0.09 -2.65 0.00 0.00 178.83 176.30 3dla h ARG 354 N -0.27 0.61 -0.30 1.69 9.65 -1.11 -0.37 114.38 124.29 3dla h ARG 354 Ca -0.01 -0.04 -0.14 0.00 -1.10 0.00 0.00 59.98 58.69 3dla h ARG 354 Cb 0.23 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 3dla h ARG 354 CO 0.02 0.41 -0.38 -0.07 2.80 0.00 0.00 179.97 182.74 3dla h LEU 355 N 0.63 0.75 -0.54 3.80 3.38 -0.46 -2.61 115.31 120.26 3dla h LEU 355 Ca 0.44 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3dla h LEU 355 Cb 0.60 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3dla h LEU 355 CO -0.34 1.04 0.01 0.03 0.09 0.00 0.00 178.44 179.27 3dla h ARG 356 N 0.58 0.94 0.00 1.13 3.08 -0.14 0.15 114.38 120.13 3dla h ARG 356 Ca 0.05 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 3dla h ARG 356 Cb 0.91 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3dla h ARG 356 CO 0.08 0.95 -0.22 0.00 -1.07 0.00 0.00 179.97 179.71 3dla h ALA 357 N 0.96 1.21 -0.59 0.04 0.00 -0.98 -2.90 119.26 117.00 3dla h ALA 357 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dla h ALA 357 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3dla h ALA 357 CO 0.03 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.83 3dla n LEU 358 N -3.65 5.27 -2.56 0.00 4.77 -0.99 -4.91 117.00 114.93 3dla n LEU 358 Ca -0.01 -2.75 -0.20 0.00 -0.03 0.00 0.00 56.01 53.02 3dla n LEU 358 Cb 0.35 -0.64 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 3dla n LEU 358 CO 0.33 0.70 -0.09 -0.67 -1.33 0.00 0.00 177.39 176.33 3dla n ASP 359 N 0.75 -5.68 -2.76 -1.43 2.03 -1.09 -3.91 116.55 104.46 3dla n ASP 359 Ca 0.27 -0.17 -0.04 0.00 0.52 0.00 0.00 54.79 55.36 3dla n ASP 359 Cb 1.07 -4.59 0.02 0.00 -0.72 0.00 0.00 41.12 36.90 3dla n ASP 359 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3dla n TYR 360 N -4.27 -2.17 -1.61 -0.67 4.01 0.52 -5.01 117.16 107.96 3dla n TYR 360 Ca -0.15 0.80 -0.29 0.00 -0.16 0.00 0.00 57.90 58.10 3dla n TYR 360 Cb 0.63 -3.61 0.15 0.00 -0.31 0.00 0.00 39.34 36.21 3dla n TYR 360 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3dla s PRO 361 N -3.39 0.82 0.90 -0.72 0.04 -1.25 -5.04 135.00 126.36 3dla s PRO 361 Ca 0.13 0.06 -0.12 0.00 0.04 0.00 0.00 61.00 61.11 3dla s PRO 361 Cb -0.02 -1.82 0.13 0.00 0.04 0.00 0.00 34.50 32.83 3dla s PRO 361 CO 0.58 -2.37 1.09 0.15 0.04 0.00 0.00 177.00 176.49 3dla s LYS 362 N -5.48 1.19 -0.15 4.56 -0.14 -0.06 -4.88 119.74 114.79 3dla s LYS 362 Ca 0.67 0.80 0.01 0.00 -1.36 0.00 0.00 55.97 56.09 3dla s LYS 362 Cb -0.11 -1.80 0.02 0.00 -1.68 0.00 0.00 37.83 34.25 3dla s LYS 362 CO 0.53 -2.28 -0.19 0.08 -0.76 0.00 0.00 175.35 172.73 3dla s VAL 363 N -2.94 1.89 -0.18 3.17 1.01 -0.39 -1.43 120.40 121.55 3dla s VAL 363 Ca 0.64 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 3dla s VAL 363 Cb -0.18 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 3dla s VAL 363 CO 0.57 0.51 -0.04 -0.69 0.00 0.00 0.00 175.10 175.45 3dla s VAL 364 N 1.12 3.65 -0.09 2.92 1.01 0.31 0.34 120.40 129.66 3dla s VAL 364 Ca -0.01 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 3dla s VAL 364 Cb -0.14 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.66 3dla s VAL 364 CO -0.07 0.47 0.20 -0.51 0.00 0.00 0.00 175.10 175.19 3dla s ILE 365 N 0.77 -0.04 -0.16 2.22 2.07 -0.88 -1.01 121.20 124.18 3dla s ILE 365 Ca -0.02 0.14 -0.29 0.00 -1.41 0.00 0.00 60.65 59.07 3dla s ILE 365 Cb -0.15 -0.32 -0.00 0.00 0.13 0.00 0.00 42.46 42.12 3dla s ILE 365 CO 0.02 0.06 1.01 -0.83 -1.91 0.00 0.00 174.94 173.29 3dla s GLY 366 N 1.07 2.09 -0.16 1.50 0.00 -1.26 -0.48 107.32 110.08 3dla s GLY 366 Ca -0.08 0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.93 3dla s GLY 366 CO -0.06 2.01 -0.17 -1.34 0.00 0.00 0.00 173.10 173.53 3dla s VAL 367 N 2.47 2.43 -0.07 1.40 -7.23 0.03 -4.86 120.40 114.57 3dla s VAL 367 Ca 0.46 -0.85 0.09 0.00 -1.81 0.00 0.00 61.98 59.88 3dla s VAL 367 Cb -0.17 -2.01 -0.14 0.00 0.56 0.00 0.00 36.38 34.62 3dla s VAL 367 CO 0.13 0.52 0.23 -1.54 -0.31 0.00 0.00 175.10 174.14 3dla n SER 368 N 4.17 2.54 0.00 4.85 3.41 -1.26 -4.28 113.62 123.04 3dla n SER 368 Ca -0.20 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 3dla n SER 368 Cb 0.51 1.37 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 3dla n SER 368 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dla n GLY 369 N 1.87 0.28 3.83 5.00 0.00 -1.26 -3.35 105.19 111.56 3dla n GLY 369 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3dla n GLY 369 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dla s GLY 370 N -1.79 1.62 0.17 -0.02 0.00 -1.26 -4.63 107.32 101.41 3dla s GLY 370 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 44.72 44.30 3dla s GLY 370 CO 0.00 0.14 1.74 1.41 0.00 0.00 0.00 173.10 176.39 3dla h LEU 371 N -0.95 0.09 0.13 0.66 4.07 -1.99 -2.67 115.31 114.64 3dla h LEU 371 Ca -0.46 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.55 3dla h LEU 371 Cb 1.27 0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.07 3dla h LEU 371 CO 0.61 0.08 -0.06 0.44 -1.08 0.00 0.00 178.44 178.43 3dla h ASP 372 N 0.27 -0.15 1.40 -0.43 5.19 -1.93 -0.39 116.42 120.38 3dla h ASP 372 Ca 0.20 -0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.49 3dla h ASP 372 Cb 0.22 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 3dla h ASP 372 CO -0.23 -0.10 -0.57 0.77 -3.12 0.00 0.00 179.24 175.99 3dla h SER 373 N -0.18 0.00 0.93 6.45 4.64 -1.82 -1.70 113.55 121.87 3dla h SER 373 Ca -0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 3dla h SER 373 Cb 0.14 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3dla h SER 373 CO 0.03 0.57 -0.45 0.74 -0.87 0.00 0.00 176.83 176.85 3dla h THR 374 N 0.00 0.01 -0.90 2.95 2.02 -1.35 -1.68 112.91 113.97 3dla h THR 374 Ca -0.01 -0.08 0.12 0.00 0.77 0.00 0.00 66.41 67.22 3dla h THR 374 Cb 1.42 0.02 -0.08 0.00 -1.74 0.00 0.00 68.15 67.77 3dla h THR 374 CO 0.07 0.00 0.53 -0.74 0.37 0.00 0.00 175.52 175.75 3dla h HIS 375 N -1.32 0.95 -0.42 3.16 6.17 -1.01 -2.37 115.15 120.30 3dla h HIS 375 Ca -0.13 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 60.92 3dla h HIS 375 Cb 0.96 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 30.58 3dla h HIS 375 CO -0.00 0.34 0.00 0.00 0.71 0.00 0.00 177.93 178.98 3dla h ALA 376 N 1.51 1.22 -0.48 5.26 0.00 -1.20 -1.31 119.26 124.27 3dla h ALA 376 Ca 0.45 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3dla h ALA 376 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3dla h ALA 376 CO -0.28 0.51 0.06 1.25 0.00 0.00 0.00 179.25 180.79 3dla h LEU 377 N 0.63 0.77 0.20 0.00 6.46 -0.81 -0.73 115.31 121.83 3dla h LEU 377 Ca 0.13 -0.27 0.01 0.00 -0.12 0.00 0.00 57.88 57.63 3dla h LEU 377 Cb 0.40 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 3dla h LEU 377 CO 0.01 0.85 -0.38 0.40 -0.62 0.00 0.00 178.44 178.70 3dla h ILE 378 N 0.67 0.22 -0.61 4.05 1.08 -1.14 -1.30 117.51 120.48 3dla h ILE 378 Ca 0.14 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.74 3dla h ILE 378 Cb 0.41 0.22 -0.10 0.00 -3.07 0.00 0.00 36.82 34.28 3dla h ILE 378 CO 0.01 0.00 -0.00 0.58 -0.69 0.00 0.00 178.15 178.05 3dla h VAL 379 N -0.66 0.50 -0.54 1.67 2.07 -1.12 -1.01 116.25 117.15 3dla h VAL 379 Ca 0.01 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 3dla h VAL 379 Cb 0.66 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3dla h VAL 379 CO -0.17 0.02 0.14 0.00 0.02 0.00 0.00 177.57 177.58 3dla h ALA 380 N 1.56 1.23 -0.15 1.67 0.00 -0.91 -1.57 119.26 121.08 3dla h ALA 380 Ca 0.32 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3dla h ALA 380 Cb 0.51 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3dla h ALA 380 CO -0.52 0.54 -0.06 1.15 0.00 0.00 0.00 179.25 180.36 3dla h THR 381 N 0.80 1.30 -0.53 0.00 2.02 -0.51 -2.30 112.91 113.69 3dla h THR 381 Ca 0.18 -1.07 0.04 0.00 0.77 0.00 0.00 66.41 66.33 3dla h THR 381 Cb 0.28 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 3dla h THR 381 CO -0.00 0.31 0.29 -0.74 0.37 0.00 0.00 175.52 175.75 3dla h HIS 382 N -0.01 0.55 -0.53 3.16 2.76 -0.81 0.63 115.15 120.90 3dla h HIS 382 Ca 0.04 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.31 3dla h HIS 382 Cb 0.51 -0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.24 3dla h HIS 382 CO 0.06 0.29 0.15 0.00 -1.30 0.00 0.00 177.93 177.13 3dla h ALA 383 N 1.26 0.63 -0.32 5.26 0.00 -1.25 0.31 119.26 125.15 3dla h ALA 383 Ca 0.22 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3dla h ALA 383 Cb 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dla h ALA 383 CO -0.13 -0.26 -0.14 0.52 0.00 0.00 0.00 179.25 179.24 3dla h MET 384 N 0.30 0.67 0.03 0.00 2.86 -1.00 -1.44 114.93 116.35 3dla h MET 384 Ca 0.27 -0.29 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3dla h MET 384 Cb 0.34 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3dla h MET 384 CO -0.31 0.87 -0.12 -0.44 1.06 0.00 0.00 176.91 177.97 3dla h ASP 385 N 0.44 -0.35 0.10 1.22 3.32 -0.58 0.39 116.42 120.95 3dla h ASP 385 Ca 0.07 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3dla h ASP 385 Cb 0.67 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 3dla h ASP 385 CO 0.04 -0.18 -0.02 0.03 -1.72 0.00 0.00 179.24 177.39 3dla h ARG 386 N -0.22 0.00 -0.24 3.56 3.08 -0.20 -2.00 114.38 118.36 3dla h ARG 386 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3dla h ARG 386 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3dla h ARG 386 CO -0.10 0.02 0.00 0.39 -1.07 0.00 0.00 179.97 179.21 3dla n GLU 387 N -3.58 2.20 -2.38 0.04 -0.58 -0.56 -4.93 120.64 110.85 3dla n GLU 387 Ca -0.03 -1.79 -0.12 0.00 -0.42 0.00 0.00 57.16 54.80 3dla n GLU 387 Cb 0.11 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 3dla n GLU 387 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dla n GLY 388 N 1.35 -0.07 3.83 0.62 0.00 -0.75 -5.02 105.19 105.15 3dla n GLY 388 Ca 0.18 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3dla n GLY 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dla s ARG 389 N -4.79 3.51 0.29 1.61 1.81 0.13 -5.03 118.95 116.49 3dla s ARG 389 Ca 0.06 -0.18 -0.29 0.00 -1.72 0.00 0.00 55.73 53.60 3dla s ARG 389 Cb -0.03 -3.18 -0.10 0.00 -0.45 0.00 0.00 34.95 31.19 3dla s ARG 389 CO 0.07 0.69 1.33 -1.25 -0.68 0.00 0.00 175.30 175.46 3dla s PRO 390 N -0.78 4.36 0.49 3.54 0.04 -1.26 -4.12 135.00 137.26 3dla s PRO 390 Ca 0.13 2.19 0.14 0.00 0.04 0.00 0.00 61.00 63.50 3dla s PRO 390 Cb -0.12 -3.11 1.17 0.00 0.04 0.00 0.00 34.50 32.48 3dla s PRO 390 CO 0.03 -0.23 2.12 0.00 0.04 0.00 0.00 177.00 178.96 3dla h ARG 391 N 4.11 0.13 0.00 4.56 3.08 -1.93 -2.03 114.38 122.30 3dla h ARG 391 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3dla h ARG 391 Cb 1.22 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3dla h ARG 391 CO 0.70 0.09 0.00 -1.13 -1.07 0.00 0.00 179.97 178.56 3dla n SER 392 N -4.52 0.01 0.07 7.04 3.41 -1.24 -1.11 113.62 117.28 3dla n SER 392 Ca -0.02 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.23 3dla n SER 392 Cb 0.09 -0.51 0.47 0.00 -0.26 0.00 0.00 64.21 64.00 3dla n SER 392 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3dla n ASP 393 N -1.52 0.54 -4.70 4.04 9.92 -0.76 -4.12 116.55 119.96 3dla n ASP 393 Ca 0.01 0.54 -0.42 0.00 -0.53 0.00 0.00 54.79 54.39 3dla n ASP 393 Cb 0.07 -0.68 -0.03 0.00 -0.64 0.00 0.00 41.12 39.84 3dla n ASP 393 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3dla s ILE 394 N -3.07 4.86 -0.59 0.53 1.01 -0.27 -1.26 121.20 122.41 3dla s ILE 394 Ca 0.12 1.95 -0.00 0.00 0.00 0.00 0.00 60.65 62.72 3dla s ILE 394 Cb 0.15 -4.27 0.15 0.00 0.01 0.00 0.00 42.46 38.49 3dla s ILE 394 CO 0.58 0.10 0.38 -0.76 0.00 0.00 0.00 174.94 175.23 3dla s LEU 395 N 1.48 4.87 0.05 2.97 1.43 0.15 -0.81 118.68 128.83 3dla s LEU 395 Ca 0.48 -2.95 -0.22 0.00 -1.03 0.00 0.00 54.13 50.41 3dla s LEU 395 Cb -0.19 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 3dla s LEU 395 CO 0.22 -0.31 0.66 0.00 0.23 0.00 0.00 176.35 177.15 3dla s ALA 396 N -0.20 3.48 -0.09 4.21 0.00 0.42 -2.07 121.76 127.50 3dla s ALA 396 Ca 0.17 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.31 3dla s ALA 396 Cb -0.22 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.09 3dla s ALA 396 CO -0.02 0.22 -0.16 -0.06 0.00 0.00 0.00 175.76 175.73 3dla s PHE 397 N -0.53 1.93 0.06 0.00 0.40 0.37 -1.17 117.98 119.03 3dla s PHE 397 Ca 0.33 -0.80 -0.22 0.00 -0.60 0.00 0.00 56.93 55.64 3dla s PHE 397 Cb -0.20 -1.36 -0.06 0.00 0.51 0.00 0.00 43.02 41.91 3dla s PHE 397 CO 0.21 -0.38 0.66 0.00 0.70 0.00 0.00 175.22 176.41 3dla s ALA 398 N 0.67 3.48 -0.49 5.36 0.00 0.04 -0.79 121.76 130.03 3dla s ALA 398 Ca -0.13 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.05 3dla s ALA 398 Cb -0.16 -2.81 0.28 0.00 0.00 0.00 0.00 23.12 20.43 3dla s ALA 398 CO 0.04 0.23 0.69 1.28 0.00 0.00 0.00 175.76 178.00 3dla n LEU 399 N 2.28 2.00 -4.75 0.00 4.77 -1.25 -0.21 117.00 119.84 3dla n LEU 399 Ca -0.07 -5.13 -0.41 0.00 -0.03 0.00 0.00 56.01 50.38 3dla n LEU 399 Cb 0.50 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3dla n LEU 399 CO 0.44 2.16 0.85 -2.16 -1.33 0.00 0.00 177.39 177.35 3dla s PRO 400 N -2.16 4.55 0.33 3.23 0.04 -1.16 -4.69 135.00 135.13 3dla s PRO 400 Ca 0.40 1.90 0.06 0.00 0.04 0.00 0.00 61.00 63.40 3dla s PRO 400 Cb 0.22 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 31.51 3dla s PRO 400 CO -0.08 0.05 -0.00 0.20 0.04 0.00 0.00 177.00 177.21 3dla s GLY 401 N -0.51 2.09 0.00 0.56 0.00 -1.26 -1.75 107.32 106.44 3dla s GLY 401 Ca 0.48 -2.06 0.00 0.00 0.00 0.00 0.00 44.72 43.14 3dla s GLY 401 CO 0.42 -1.90 0.00 0.69 0.00 0.00 0.00 173.10 172.31 3dla n PHE 402 N -0.72 0.00 0.00 1.90 0.99 -1.26 -5.00 117.46 113.37 3dla n PHE 402 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3dla n PHE 402 Cb 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.13 3dla n PHE 402 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3dla n LYS 409 N 0.00 0.00 0.27 -1.08 5.02 -1.21 -5.20 118.16 115.96 3dla n LYS 409 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 3dla n LYS 409 Cb 0.00 0.00 0.72 0.00 -0.02 0.00 0.00 35.03 35.73 3dla n LYS 409 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 3dla h ASN 410 N 0.00 0.00 -0.35 4.39 7.08 -2.00 -3.08 115.58 121.62 3dla h ASN 410 Ca 0.00 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.14 3dla h ASN 410 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.22 3dla h ASN 410 CO 0.00 0.11 -0.05 0.78 -2.08 0.00 0.00 177.43 176.18 3dla h ASN 411 N 0.00 0.73 0.16 6.14 2.35 -1.94 -1.49 115.58 121.54 3dla h ASN 411 Ca -0.00 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3dla h ASN 411 Cb 0.41 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3dla h ASN 411 CO 0.01 0.83 -0.08 0.00 -1.65 0.00 0.00 177.43 176.55 3dla h ALA 412 N 1.24 -0.22 -0.49 -0.83 0.00 -1.84 -0.02 119.26 117.11 3dla h ALA 412 Ca 0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3dla h ALA 412 Cb 0.51 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3dla h ALA 412 CO 0.03 -0.58 -0.05 0.97 0.00 0.00 0.00 179.25 179.62 3dla h ILE 413 N -0.32 1.27 -0.38 0.00 6.09 -1.60 -1.64 117.51 120.93 3dla h ILE 413 Ca -0.02 -1.16 0.03 0.00 -1.37 0.00 0.00 64.86 62.34 3dla h ILE 413 Cb 0.25 1.03 -0.03 0.00 0.47 0.00 0.00 36.82 38.53 3dla h ILE 413 CO 0.04 0.40 0.18 0.11 -3.07 0.00 0.00 178.15 175.81 3dla h LYS 414 N 0.75 0.36 -0.14 2.19 1.57 -1.24 0.14 116.57 120.20 3dla h LYS 414 Ca 0.13 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3dla h LYS 414 Cb 0.58 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3dla h LYS 414 CO 0.04 0.24 0.04 1.25 -0.57 0.00 0.00 179.45 180.44 3dla h LEU 415 N 0.37 0.21 -0.40 2.94 5.85 -0.87 0.21 115.31 123.62 3dla h LEU 415 Ca 0.16 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3dla h LEU 415 Cb 0.08 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3dla h LEU 415 CO -0.12 0.37 0.19 0.00 -0.34 0.00 0.00 178.44 178.53 3dla h ALA 416 N 0.84 0.50 0.16 1.25 0.00 -1.19 0.03 119.26 120.86 3dla h ALA 416 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dla h ALA 416 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3dla h ALA 416 CO -0.00 -0.18 -0.08 -0.09 0.00 0.00 0.00 179.25 178.90 3dla h ARG 417 N 0.38 -0.21 -0.99 0.00 2.43 -0.92 -0.78 114.38 114.29 3dla h ARG 417 Ca 0.18 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.57 3dla h ARG 417 Cb 0.11 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.61 3dla h ARG 417 CO -0.14 -0.04 0.62 0.00 -1.51 0.00 0.00 179.97 178.90 3dla h ALA 418 N 0.48 1.87 0.01 2.80 0.00 -0.38 -2.46 119.26 121.58 3dla h ALA 418 Ca -0.02 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 3dla h ALA 418 Cb 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3dla h ALA 418 CO 0.04 -0.24 -1.14 -0.07 0.00 0.00 0.00 179.25 177.83 3dla h LEU 419 N 0.63 0.04 -0.13 0.00 4.07 -0.85 -3.44 115.31 115.63 3dla h LEU 419 Ca 0.56 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.47 3dla h LEU 419 Cb 1.06 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.79 3dla h LEU 419 CO -0.33 1.04 0.00 0.61 -1.08 0.00 0.00 178.44 178.68 3dla n GLY 420 N 1.40 0.91 1.74 0.83 0.00 -0.33 -5.02 105.19 104.73 3dla n GLY 420 Ca -0.04 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 3dla n GLY 420 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dla n VAL 421 N -2.77 0.00 -3.29 1.61 0.24 -1.04 -3.72 118.33 109.36 3dla n VAL 421 Ca 0.00 -0.56 -0.43 0.00 -2.04 0.00 0.00 64.34 61.31 3dla n VAL 421 Cb 0.34 -1.51 -0.08 0.00 -1.47 0.00 0.00 33.84 31.11 3dla n VAL 421 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3dla s THR 422 N -1.85 5.05 -0.17 3.34 2.01 0.01 -4.76 115.64 119.27 3dla s THR 422 Ca 0.32 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 3dla s THR 422 Cb -0.01 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 3dla s THR 422 CO 0.22 -0.47 0.12 0.12 -0.69 0.00 0.00 174.62 173.92 3dla s PHE 423 N 2.21 3.46 0.04 4.92 5.36 -1.26 -0.44 117.98 132.27 3dla s PHE 423 Ca 0.13 0.38 -0.02 0.00 -0.96 0.00 0.00 56.93 56.46 3dla s PHE 423 Cb -0.17 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.42 3dla s PHE 423 CO 0.14 0.45 -0.00 -1.12 -1.46 0.00 0.00 175.22 173.23 3dla s SER 424 N -0.19 0.35 -0.09 6.13 0.01 -0.32 -4.98 113.70 114.60 3dla s SER 424 Ca 0.10 -0.75 0.04 0.00 1.31 0.00 0.00 55.95 56.65 3dla s SER 424 Cb -0.11 0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 3dla s SER 424 CO 0.01 -0.49 -0.22 -0.70 0.41 0.00 0.00 173.24 172.25 3dla s GLU 425 N -2.91 2.98 -0.15 12.44 2.12 -1.26 -0.78 118.70 131.13 3dla s GLU 425 Ca -0.02 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.48 3dla s GLU 425 Cb 0.01 -2.34 0.02 0.00 0.26 0.00 0.00 34.13 32.07 3dla s GLU 425 CO -0.06 0.25 -0.18 0.42 -0.54 0.00 0.00 175.26 175.15 3dla s ILE 426 N 0.18 1.82 -0.35 -3.70 1.01 0.71 -4.93 121.20 115.94 3dla s ILE 426 Ca -0.12 -0.80 -0.26 0.00 0.00 0.00 0.00 60.65 59.46 3dla s ILE 426 Cb -0.16 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.66 3dla s ILE 426 CO 0.07 0.50 0.93 -0.62 0.00 0.00 0.00 174.94 175.82 3dla s ASP 427 N 1.24 6.72 0.00 3.58 -1.08 -1.26 -3.01 116.67 122.85 3dla s ASP 427 Ca 0.01 0.68 0.28 0.00 -0.52 0.00 0.00 52.55 53.01 3dla s ASP 427 Cb -0.14 -2.47 1.17 0.00 -1.46 0.00 0.00 42.92 40.03 3dla s ASP 427 CO -0.09 -0.82 1.81 2.30 0.52 0.00 0.00 175.17 178.90 3dla n ILE 428 N 5.88 0.00 -0.12 4.11 -5.35 -0.72 -4.52 119.36 118.64 3dla n ILE 428 Ca 0.07 -0.13 -0.05 0.00 -0.27 0.00 0.00 62.75 62.38 3dla n ILE 428 Cb 0.48 0.16 0.02 0.00 -1.74 0.00 0.00 39.64 38.56 3dla n ILE 428 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3dla h GLY 429 N 4.92 0.37 1.35 3.28 0.00 -1.92 0.15 103.07 111.21 3dla h GLY 429 Ca 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 3dla h GLY 429 CO 0.00 -0.12 -0.04 -0.55 0.00 0.00 0.00 176.54 175.83 3dla h ASP 430 N 0.07 0.76 -0.40 0.19 3.32 -1.96 0.80 116.42 119.20 3dla h ASP 430 Ca 0.20 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 3dla h ASP 430 Cb 0.29 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3dla h ASP 430 CO -0.36 0.86 -0.33 0.74 -1.72 0.00 0.00 179.24 178.43 3dla h THR 431 N 0.73 1.27 -0.37 0.35 2.02 -1.76 -2.03 112.91 113.12 3dla h THR 431 Ca 0.13 -1.50 -0.05 0.00 0.77 0.00 0.00 66.41 65.77 3dla h THR 431 Cb 0.51 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3dla h THR 431 CO 0.03 0.51 0.05 0.00 0.37 0.00 0.00 175.52 176.47 3dla h ALA 432 N 0.83 0.50 -0.50 6.16 0.00 -0.40 -1.38 119.26 124.47 3dla h ALA 432 Ca 0.08 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.83 3dla h ALA 432 Cb 0.91 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 3dla h ALA 432 CO 0.08 0.22 0.19 0.00 0.00 0.00 0.00 179.25 179.75 3dla h ARG 433 N 0.46 0.37 -0.38 0.00 3.08 -0.85 -0.01 114.38 117.05 3dla h ARG 433 Ca 0.11 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3dla h ARG 433 Cb 0.39 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3dla h ARG 433 CO 0.01 0.25 0.23 1.25 -1.07 0.00 0.00 179.97 180.64 3dla h LEU 434 N 0.38 0.46 -0.57 3.04 5.85 -1.18 -0.74 115.31 122.56 3dla h LEU 434 Ca 0.24 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3dla h LEU 434 Cb 0.23 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3dla h LEU 434 CO -0.22 0.38 0.20 -0.03 -0.34 0.00 0.00 178.44 178.43 3dla h MET 435 N 0.50 0.87 -0.33 1.25 4.05 -1.01 -0.34 114.93 119.93 3dla h MET 435 Ca 0.14 -0.17 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 3dla h MET 435 Cb 0.01 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 3dla h MET 435 CO -0.03 0.77 -0.11 -0.07 0.23 0.00 0.00 176.91 177.71 3dla h LEU 436 N 0.79 0.54 0.17 3.39 3.38 -0.84 -1.29 115.31 121.44 3dla h LEU 436 Ca 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3dla h LEU 436 Cb 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3dla h LEU 436 CO -0.01 0.68 -0.08 -0.74 0.09 0.00 0.00 178.44 178.38 3dla h HIS 437 N 0.51 -0.21 -0.35 1.13 2.76 -0.85 0.27 115.15 118.42 3dla h HIS 437 Ca 0.10 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.35 3dla h HIS 437 Cb 0.49 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 3dla h HIS 437 CO 0.02 0.12 0.24 1.15 -1.30 0.00 0.00 177.93 178.16 3dla h THR 438 N -0.56 0.87 0.00 6.26 2.02 -0.96 0.84 112.91 121.39 3dla h THR 438 Ca -0.02 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3dla h THR 438 Cb 0.42 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3dla h THR 438 CO 0.04 0.01 -0.24 0.40 0.37 0.00 0.00 175.52 176.10 3dla h ILE 439 N 0.08 0.00 -1.49 3.11 1.08 -1.20 -3.48 117.51 115.61 3dla h ILE 439 Ca 0.16 -0.88 -0.13 0.00 -0.39 0.00 0.00 64.86 63.62 3dla h ILE 439 Cb 0.54 1.75 0.01 0.00 -3.07 0.00 0.00 36.82 36.06 3dla h ILE 439 CO -0.01 0.00 -0.19 0.61 -0.69 0.00 0.00 178.15 177.87 3dla n GLY 440 N 1.17 0.22 3.73 5.37 0.00 0.29 -5.02 105.19 110.94 3dla n GLY 440 Ca 0.03 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3dla n GLY 440 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dla s HIS 441 N -2.59 3.49 0.47 1.61 5.04 0.03 -4.93 115.29 118.40 3dla s HIS 441 Ca 0.06 1.45 0.27 0.00 -1.54 0.00 0.00 55.06 55.30 3dla s HIS 441 Cb -0.03 -3.37 1.47 0.00 0.04 0.00 0.00 32.58 30.70 3dla s HIS 441 CO 0.08 -1.00 1.81 -1.00 -2.34 0.00 0.00 174.74 172.28 3dla h PRO 442 N 5.77 0.00 -0.56 2.88 0.13 -1.90 0.12 132.00 138.45 3dla h PRO 442 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 3dla h PRO 442 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3dla h PRO 442 CO 0.76 0.00 0.33 -0.92 -0.23 0.00 0.00 178.00 177.94 3dla h TYR 443 N 0.00 0.73 -0.98 1.56 3.20 -1.85 -2.55 116.97 117.08 3dla h TYR 443 Ca 0.00 0.00 0.26 0.00 3.14 0.00 0.00 58.73 62.13 3dla h TYR 443 Cb 0.56 -0.24 -0.18 0.00 1.54 0.00 0.00 36.73 38.40 3dla h TYR 443 CO 0.00 0.50 0.01 0.77 -1.64 0.00 0.00 178.16 177.80 3dla h SER 444 N 0.77 -0.50 -0.81 -2.11 0.02 -1.01 -1.07 113.55 108.84 3dla h SER 444 Ca 0.20 0.28 -0.43 0.00 -0.84 0.00 0.00 61.79 61.00 3dla h SER 444 Cb -0.01 0.49 -0.25 0.00 0.14 0.00 0.00 62.40 62.76 3dla h SER 444 CO -0.04 -0.34 0.44 1.33 -1.14 0.00 0.00 176.83 177.08 3dla n VAL 445 N -5.49 3.04 -0.12 2.27 0.24 -0.98 -4.92 118.33 112.36 3dla n VAL 445 Ca 0.22 -2.23 0.00 0.00 -2.04 0.00 0.00 64.34 60.29 3dla n VAL 445 Cb 0.73 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 3dla n VAL 445 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dla n GLY 446 N -1.13 1.50 3.82 7.63 0.00 -0.40 -5.03 105.19 111.58 3dla n GLY 446 Ca 0.52 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 3dla n GLY 446 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dla s GLU 447 N -0.44 4.11 -1.35 1.61 -1.05 -1.08 -4.97 118.70 115.54 3dla s GLU 447 Ca 0.00 0.63 -0.16 0.00 -0.15 0.00 0.00 54.97 55.30 3dla s GLU 447 Cb 0.00 -3.20 0.07 0.00 -0.44 0.00 0.00 34.13 30.56 3dla s GLU 447 CO 0.00 0.64 1.90 1.63 0.95 0.00 0.00 175.26 180.38 3dla n LYS 448 N 1.65 3.11 -3.47 -4.83 5.02 -1.26 -3.43 118.16 114.95 3dla n LYS 448 Ca -0.11 -3.09 -0.43 0.00 -2.02 0.00 0.00 58.31 52.67 3dla n LYS 448 Cb 0.51 -3.36 -0.06 0.00 -0.02 0.00 0.00 35.03 32.09 3dla n LYS 448 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dla s VAL 449 N 3.49 4.70 -1.01 -0.18 1.01 -1.26 -4.96 120.40 122.18 3dla s VAL 449 Ca 0.50 -2.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.43 3dla s VAL 449 Cb 0.07 -4.02 0.32 0.00 0.00 0.00 0.00 36.38 32.76 3dla s VAL 449 CO 0.01 -0.87 1.76 -1.22 0.00 0.00 0.00 175.10 174.78 3dla n TYR 450 N 4.58 2.78 -1.65 5.22 0.53 -1.26 -4.74 117.16 122.62 3dla n TYR 450 Ca -0.02 -2.63 -0.09 0.00 -1.02 0.00 0.00 57.90 54.14 3dla n TYR 450 Cb 0.42 -1.17 0.06 0.00 -1.03 0.00 0.00 39.34 37.61 3dla n TYR 450 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3dla n ASP 451 N 0.04 0.17 0.05 7.72 5.68 -1.26 -4.88 116.55 124.06 3dla n ASP 451 Ca 0.45 -1.23 -0.00 0.00 -0.50 0.00 0.00 54.79 53.51 3dla n ASP 451 Cb 0.27 -0.29 0.30 0.00 -1.14 0.00 0.00 41.12 40.26 3dla n ASP 451 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3dla h VAL 452 N -0.99 1.21 -0.16 2.12 2.07 -1.99 -2.53 116.25 115.98 3dla h VAL 452 Ca -0.13 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3dla h VAL 452 Cb 0.39 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3dla h VAL 452 CO 0.10 0.30 0.09 0.74 0.02 0.00 0.00 177.57 178.83 3dla h THR 453 N 0.38 1.08 -0.49 2.57 2.02 -1.96 0.25 112.91 116.76 3dla h THR 453 Ca 0.07 -0.20 0.09 0.00 0.77 0.00 0.00 66.41 67.14 3dla h THR 453 Cb 0.45 0.93 -0.08 0.00 -1.74 0.00 0.00 68.15 67.72 3dla h THR 453 CO 0.03 0.07 0.02 0.15 0.37 0.00 0.00 175.52 176.16 3dla h PHE 454 N 0.17 0.01 -0.05 3.16 3.04 -1.79 0.28 116.94 121.76 3dla h PHE 454 Ca 0.06 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 3dla h PHE 454 Cb 0.04 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 3dla h PHE 454 CO -0.05 -0.09 -0.06 0.93 -2.02 0.00 0.00 178.31 177.02 3dla h GLU 455 N 0.14 0.13 -0.91 1.11 5.08 -1.14 -3.19 114.58 115.81 3dla h GLU 455 Ca 0.25 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3dla h GLU 455 Cb 0.36 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3dla h GLU 455 CO -0.39 0.61 0.57 -0.91 -1.00 0.00 0.00 179.01 177.89 3dla h ASN 456 N -0.34 1.08 -0.58 1.42 4.21 -0.34 0.26 115.58 121.30 3dla h ASN 456 Ca 0.01 -0.05 0.12 0.00 1.21 0.00 0.00 56.30 57.58 3dla h ASN 456 Cb 0.59 -0.27 -0.10 0.00 -1.12 0.00 0.00 38.32 37.42 3dla h ASN 456 CO 0.01 0.81 -0.04 0.58 -1.29 0.00 0.00 177.43 177.51 3dla h VAL 457 N 1.25 0.50 0.09 2.81 2.07 -0.48 0.94 116.25 123.42 3dla h VAL 457 Ca 0.33 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.82 3dla h VAL 457 Cb -0.08 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3dla h VAL 457 CO -0.06 0.01 -0.05 1.56 0.02 0.00 0.00 177.57 179.05 3dla h GLN 458 N 0.08 -0.12 -0.56 1.57 4.20 -1.34 -0.35 115.11 118.59 3dla h GLN 458 Ca 0.29 0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.08 3dla h GLN 458 Cb 0.47 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 3dla h GLN 458 CO -0.52 0.25 0.24 0.00 -0.67 0.00 0.00 178.83 178.13 3dla h ALA 459 N 0.33 0.72 -0.59 3.87 0.00 -0.69 -2.14 119.26 120.77 3dla h ALA 459 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3dla h ALA 459 Cb 0.43 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3dla h ALA 459 CO 0.02 -0.15 0.36 0.78 0.00 0.00 0.00 179.25 180.27 3dla h GLY 460 N 0.45 0.84 1.91 0.00 0.00 0.92 -2.89 103.07 104.31 3dla h GLY 460 Ca 0.27 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3dla h GLY 460 CO -0.24 0.24 -0.51 1.41 0.00 0.00 0.00 176.54 177.44 3dla h LEU 461 N 0.72 0.10 0.19 3.11 3.38 -0.70 -1.04 115.31 121.07 3dla h LEU 461 Ca 0.24 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3dla h LEU 461 Cb 0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3dla h LEU 461 CO -0.10 0.59 -0.39 0.03 0.09 0.00 0.00 178.44 178.67 3dla h ARG 462 N 0.07 -0.64 -0.75 1.13 3.08 -1.26 0.14 114.38 116.16 3dla h ARG 462 Ca -0.00 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3dla h ARG 462 Cb 0.93 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.09 3dla h ARG 462 CO 0.07 -0.43 0.41 1.15 -1.07 0.00 0.00 179.97 180.10 3dla h THR 463 N -0.66 1.23 -0.19 2.04 2.02 -1.31 -1.78 112.91 114.25 3dla h THR 463 Ca 0.01 -0.58 0.03 0.00 0.77 0.00 0.00 66.41 66.65 3dla h THR 463 Cb 0.66 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 3dla h THR 463 CO -0.19 0.25 -0.00 -0.78 0.37 0.00 0.00 175.52 175.18 3dla h ASP 464 N 1.03 -0.08 -0.49 4.18 1.82 -1.02 -0.14 116.42 121.73 3dla h ASP 464 Ca 0.26 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 3dla h ASP 464 Cb 0.04 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 3dla h ASP 464 CO -0.04 -0.01 0.32 1.88 -1.61 0.00 0.00 179.24 179.78 3dla h TYR 465 N 0.06 0.62 -0.26 0.28 0.05 -0.71 -1.84 116.97 115.17 3dla h TYR 465 Ca 0.09 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 3dla h TYR 465 Cb 0.11 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 3dla h TYR 465 CO -0.17 0.40 0.12 -0.07 -1.05 0.00 0.00 178.16 177.39 3dla h LEU 466 N 0.66 0.34 -0.95 3.88 3.38 -0.86 0.19 115.31 121.96 3dla h LEU 466 Ca 0.18 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3dla h LEU 466 Cb -0.07 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3dla h LEU 466 CO -0.04 0.37 0.62 -0.26 0.09 0.00 0.00 178.44 179.22 3dla h PHE 467 N 0.28 1.16 -0.18 1.13 0.04 -0.95 0.34 116.94 118.76 3dla h PHE 467 Ca 0.09 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 3dla h PHE 467 Cb 0.12 -0.39 -0.00 0.00 2.20 0.00 0.00 35.95 37.88 3dla h PHE 467 CO -0.02 0.68 -0.22 0.00 -0.60 0.00 0.00 178.31 178.15 3dla h ARG 468 N 1.21 0.47 -0.90 1.51 2.47 -0.76 -0.98 114.38 117.40 3dla h ARG 468 Ca 0.37 -0.26 0.09 0.00 -1.26 0.00 0.00 59.98 58.92 3dla h ARG 468 Cb -0.02 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.24 3dla h ARG 468 CO -0.11 0.84 0.55 0.82 0.56 0.00 0.00 179.97 182.63 3dla h ILE 469 N 0.13 0.98 -0.56 2.04 2.04 -0.50 -0.86 117.51 120.77 3dla h ILE 469 Ca 0.02 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3dla h ILE 469 Cb 0.77 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3dla h ILE 469 CO 0.05 0.17 0.35 0.00 0.00 0.00 0.00 178.15 178.72 3dla h ALA 470 N 1.46 0.71 -0.33 1.87 0.00 -0.46 0.18 119.26 122.70 3dla h ALA 470 Ca 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3dla h ALA 470 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3dla h ALA 470 CO -0.22 0.18 0.16 -0.91 0.00 0.00 0.00 179.25 178.47 3dla h ASN 471 N 0.75 0.42 -0.68 0.00 2.35 -0.84 -1.04 115.58 116.55 3dla h ASN 471 Ca 0.20 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 3dla h ASN 471 Cb -0.03 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 3dla h ASN 471 CO -0.04 0.43 0.12 -0.61 -1.65 0.00 0.00 177.43 175.68 3dla h GLN 472 N 0.39 1.12 -0.01 0.81 4.15 -0.71 -3.29 115.11 117.57 3dla h GLN 472 Ca 0.11 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.24 3dla h GLN 472 Cb 0.11 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.67 3dla h GLN 472 CO -0.01 1.01 -0.49 0.54 -1.93 0.00 0.00 178.83 177.95 3dla n ARG 473 N -4.21 1.25 -2.48 1.69 3.00 0.60 -4.99 116.66 111.51 3dla n ARG 473 Ca 0.05 -0.89 -0.05 0.00 -0.01 0.00 0.00 57.85 56.95 3dla n ARG 473 Cb 0.29 -1.44 0.02 0.00 0.00 0.00 0.00 32.46 31.33 3dla n ARG 473 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3dla n GLY 474 N 1.37 0.34 3.65 -0.13 0.00 -0.72 -4.78 105.19 104.92 3dla n GLY 474 Ca 0.08 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3dla n GLY 474 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dla s GLY 475 N -3.27 2.86 0.03 -0.02 0.00 -0.47 -0.88 107.32 105.57 3dla s GLY 475 Ca 0.04 -0.73 0.08 0.00 0.00 0.00 0.00 44.72 44.11 3dla s GLY 475 CO 0.18 -2.04 -0.23 -0.26 0.00 0.00 0.00 173.10 170.76 3dla s ILE 476 N -3.02 1.85 -0.13 0.90 -4.36 -0.51 -4.63 121.20 111.29 3dla s ILE 476 Ca 0.13 -1.20 -0.29 0.00 -0.26 0.00 0.00 60.65 59.03 3dla s ILE 476 Cb 0.02 -1.58 -0.01 0.00 1.25 0.00 0.00 42.46 42.14 3dla s ILE 476 CO 0.08 0.33 1.09 -0.69 0.24 0.00 0.00 174.94 175.99 3dla s VAL 477 N -0.73 4.59 -0.11 8.37 1.01 -1.26 -0.53 120.40 131.73 3dla s VAL 477 Ca 0.09 1.89 -0.23 0.00 0.00 0.00 0.00 61.98 63.72 3dla s VAL 477 Cb -0.09 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3dla s VAL 477 CO 0.01 -0.06 0.72 -0.76 0.00 0.00 0.00 175.10 175.02 3dla s LEU 478 N 2.52 4.26 0.50 3.92 1.43 -0.18 -0.38 118.68 130.75 3dla s LEU 478 Ca 0.50 1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 54.58 3dla s LEU 478 Cb -0.19 -3.09 -0.07 0.00 0.03 0.00 0.00 46.19 42.86 3dla s LEU 478 CO 0.15 -0.21 0.94 -0.83 0.23 0.00 0.00 176.35 176.64 3dla s GLY 479 N 0.95 2.01 0.00 -3.19 0.00 -0.42 -4.71 107.32 101.97 3dla s GLY 479 Ca 0.36 0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.17 3dla s GLY 479 CO 0.16 0.34 0.23 -1.30 0.00 0.00 0.00 173.10 172.52 3dla n THR 480 N -1.59 0.02 -2.13 0.90 -2.24 -1.26 -3.51 114.28 104.46 3dla n THR 480 Ca 0.06 -0.22 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 3dla n THR 480 Cb 0.54 1.55 0.01 0.00 -2.10 0.00 0.00 70.33 70.33 3dla n THR 480 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dla s GLY 481 N -0.02 2.74 0.38 3.38 0.00 -1.26 -4.64 107.32 107.90 3dla s GLY 481 Ca 0.00 0.97 0.08 0.00 0.00 0.00 0.00 44.72 45.76 3dla s GLY 481 CO 0.00 1.38 0.35 0.51 0.00 0.00 0.00 173.10 175.34 3dla s ASP 482 N -1.51 5.16 0.39 1.64 1.47 -1.26 -2.78 116.67 119.79 3dla s ASP 482 Ca 0.72 -0.63 0.09 0.00 1.18 0.00 0.00 52.55 53.91 3dla s ASP 482 Cb -0.29 -0.74 0.87 0.00 -0.34 0.00 0.00 42.92 42.42 3dla s ASP 482 CO 0.33 -0.53 1.96 0.25 0.68 0.00 0.00 175.17 177.86 3dla h LEU 483 N 1.11 0.53 -0.71 2.11 5.85 -0.78 -1.36 115.31 122.07 3dla h LEU 483 Ca -0.43 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.20 3dla h LEU 483 Cb 1.26 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3dla h LEU 483 CO 0.57 0.33 -0.07 0.28 -0.34 0.00 0.00 178.44 179.22 3dla h SER 484 N 0.60 0.91 -0.41 1.25 0.02 -1.89 -2.00 113.55 112.03 3dla h SER 484 Ca 0.30 -0.27 -0.13 0.00 -0.84 0.00 0.00 61.79 60.85 3dla h SER 484 Cb 0.40 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3dla h SER 484 CO -0.10 1.01 -0.24 -0.33 -1.14 0.00 0.00 176.83 176.03 3dla h GLU 485 N 0.84 0.92 -0.83 3.45 5.08 -1.58 -2.56 114.58 119.91 3dla h GLU 485 Ca 0.14 -0.40 0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3dla h GLU 485 Cb 0.59 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 3dla h GLU 485 CO 0.04 1.06 0.41 -0.07 -1.00 0.00 0.00 179.01 179.45 3dla h LEU 486 N 0.79 0.48 -0.69 1.33 4.07 -1.13 -0.40 115.31 119.76 3dla h LEU 486 Ca 0.10 0.10 -0.12 0.00 0.08 0.00 0.00 57.88 58.04 3dla h LEU 486 Cb 0.81 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.56 3dla h LEU 486 CO 0.07 0.20 -0.26 0.00 -1.08 0.00 0.00 178.44 177.36 3dla h ALA 487 N 1.56 0.87 -0.00 1.53 0.00 -0.96 -3.11 119.26 119.14 3dla h ALA 487 Ca 0.46 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dla h ALA 487 Cb 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3dla h ALA 487 CO -0.37 0.63 -0.72 1.28 0.00 0.00 0.00 179.25 180.07 3dla n LEU 488 N -4.10 0.94 -3.01 0.00 7.99 -1.07 -3.84 117.00 113.92 3dla n LEU 488 Ca -0.00 -0.34 -0.17 0.00 -0.01 0.00 0.00 56.01 55.48 3dla n LEU 488 Cb 0.45 -0.09 0.07 0.00 -0.11 0.00 0.00 43.42 43.74 3dla n LEU 488 CO 0.45 0.22 0.16 0.61 -1.51 0.00 0.00 177.39 177.31 3dla n GLY 489 N 1.48 -0.25 3.38 -0.72 0.00 -0.25 -4.77 105.19 104.06 3dla n GLY 489 Ca 0.06 0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 3dla n GLY 489 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3dla s TRP 490 N -3.27 3.66 -0.25 1.61 -0.11 -0.64 -4.90 118.94 115.03 3dla s TRP 490 Ca 0.28 -2.00 -0.34 0.00 1.22 0.00 0.00 56.10 55.26 3dla s TRP 490 Cb -0.12 -4.02 0.16 0.00 -1.50 0.00 0.00 33.47 27.99 3dla s TRP 490 CO 0.60 -1.17 1.30 0.45 -4.62 0.00 0.00 176.95 173.51 3dla s SER 491 N 2.47 -0.07 -0.31 5.86 0.15 -1.26 -4.75 113.70 115.79 3dla s SER 491 Ca 0.28 0.03 -0.09 0.00 0.70 0.00 0.00 55.95 56.87 3dla s SER 491 Cb -0.08 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 3dla s SER 491 CO -0.08 -0.11 0.13 -0.89 1.20 0.00 0.00 173.24 173.50 3dla s THR 492 N -1.83 4.34 0.10 6.45 2.01 -1.26 -4.97 115.64 120.48 3dla s THR 492 Ca 0.10 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 3dla s THR 492 Cb -0.01 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.18 3dla s THR 492 CO -0.04 0.03 1.12 -0.47 -0.69 0.00 0.00 174.62 174.56 3dla s TYR 493 N 1.56 3.55 0.00 4.92 5.04 -1.26 -2.51 117.35 128.64 3dla s TYR 493 Ca 0.03 1.50 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 3dla s TYR 493 Cb -0.17 -3.30 0.00 0.00 0.35 0.00 0.00 41.96 38.83 3dla s TYR 493 CO 0.05 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 173.91 3dla n GLY 494 N 2.66 1.09 3.44 8.97 0.00 -1.26 -4.49 105.19 115.60 3dla n GLY 494 Ca 0.06 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 3dla n GLY 494 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dla s VAL 495 N 0.00 4.42 0.00 1.61 1.01 -1.26 -4.39 120.40 121.79 3dla s VAL 495 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3dla s VAL 495 Cb 0.00 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.70 3dla s VAL 495 CO 0.00 -1.43 0.00 0.61 0.00 0.00 0.00 175.10 174.28 3dla n GLY 496 N 5.35 0.45 0.00 4.51 0.00 -1.26 -4.12 105.19 110.13 3dla n GLY 496 Ca -0.01 -1.27 0.04 0.00 0.00 0.00 0.00 46.02 44.78 3dla n GLY 496 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dla n ASP 497 N 0.00 0.00 0.20 1.61 5.75 -1.18 -0.78 116.55 122.15 3dla n ASP 497 Ca 0.00 0.33 0.08 0.00 -0.01 0.00 0.00 54.79 55.19 3dla n ASP 497 Cb 0.00 -0.39 0.35 0.00 -1.03 0.00 0.00 41.12 40.04 3dla n ASP 497 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 3dla h GLN 498 N 0.00 0.00 -5.81 0.11 -0.00 -1.83 -3.42 115.11 104.15 3dla h GLN 498 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 58.01 3dla h GLN 498 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.53 3dla h GLN 498 CO 0.00 0.30 -0.43 1.41 0.00 0.00 0.00 178.83 180.12 3dla s MET 499 N -3.51 3.53 0.04 1.69 1.75 0.04 -4.66 119.30 118.18 3dla s MET 499 Ca 0.01 -0.11 -0.28 0.00 -1.25 0.00 0.00 55.69 54.06 3dla s MET 499 Cb 0.10 -3.12 0.10 0.00 2.84 0.00 0.00 34.83 34.74 3dla s MET 499 CO 0.67 0.70 1.19 -1.54 -0.65 0.00 0.00 175.02 175.39 3dla s SER 500 N -1.52 -0.06 0.15 1.11 1.04 -1.26 -4.83 113.70 108.34 3dla s SER 500 Ca 0.24 -0.27 0.16 0.00 0.48 0.00 0.00 55.95 56.56 3dla s SER 500 Cb -0.13 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 3dla s SER 500 CO 0.13 -0.50 1.07 0.45 0.98 0.00 0.00 173.24 175.37 3dla h HIS 501 N 2.00 0.00 -1.76 5.02 3.86 -1.07 -3.43 115.15 119.76 3dla h HIS 501 Ca -0.27 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.02 3dla h HIS 501 Cb 1.21 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.45 3dla h HIS 501 CO 0.68 0.52 0.07 -0.47 0.86 0.00 0.00 177.93 179.59 3dla s TYR 502 N -2.96 -1.01 -0.39 2.45 5.04 -1.15 -4.54 117.35 114.79 3dla s TYR 502 Ca -0.00 1.87 -0.08 0.00 -2.44 0.00 0.00 57.07 56.42 3dla s TYR 502 Cb 0.08 0.60 0.06 0.00 0.35 0.00 0.00 41.96 43.06 3dla s TYR 502 CO 0.79 -0.50 0.21 1.21 -1.34 0.00 0.00 175.55 175.91 3dla s ASN 503 N 2.11 5.54 0.42 4.32 3.84 0.12 -1.30 114.94 129.99 3dla s ASN 503 Ca -0.07 -1.37 0.23 0.00 0.21 0.00 0.00 52.86 51.85 3dla s ASN 503 Cb -0.07 -1.95 0.75 0.00 -0.55 0.00 0.00 41.25 39.43 3dla s ASN 503 CO -0.18 -0.46 1.75 -0.37 -2.79 0.00 0.00 177.10 175.05 3dla h VAL 504 N 6.09 0.56 -0.02 -5.21 -1.51 -1.84 -3.21 116.25 111.11 3dla h VAL 504 Ca -0.23 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 63.96 3dla h VAL 504 Cb 1.08 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 3dla h VAL 504 CO 0.70 0.25 -0.11 0.59 -1.23 0.00 0.00 177.57 177.77 3dla n ASN 505 N -3.34 2.04 -0.31 4.19 3.02 -1.26 -4.50 115.26 115.10 3dla n ASN 505 Ca 0.01 -1.59 0.17 0.00 -0.03 0.00 0.00 54.58 53.13 3dla n ASN 505 Cb 0.48 0.09 0.35 0.00 -0.61 0.00 0.00 39.78 40.10 3dla n ASN 505 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dla h ALA 506 N 4.31 1.51 -0.59 5.41 0.00 -1.51 -2.03 119.26 126.36 3dla h ALA 506 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3dla h ALA 506 Cb 0.72 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3dla h ALA 506 CO 0.00 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.16 3dla n GLY 507 N -1.35 2.15 3.28 0.00 0.00 -1.26 -3.00 105.19 105.02 3dla n GLY 507 Ca 0.25 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 3dla n GLY 507 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dla s VAL 508 N -1.51 3.42 0.55 1.61 1.01 -0.77 -4.09 120.40 120.63 3dla s VAL 508 Ca 0.43 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 3dla s VAL 508 Cb 0.25 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 3dla s VAL 508 CO 0.25 0.18 1.25 -2.16 0.00 0.00 0.00 175.10 174.61 3dla s PRO 509 N 1.42 3.19 0.42 2.72 0.04 -1.26 -0.65 135.00 140.89 3dla s PRO 509 Ca 0.02 1.96 0.19 0.00 0.04 0.00 0.00 61.00 63.20 3dla s PRO 509 Cb -0.17 -2.14 1.11 0.00 0.04 0.00 0.00 34.50 33.34 3dla s PRO 509 CO -0.01 -1.06 1.83 -0.22 0.04 0.00 0.00 177.00 177.57 3dla h LYS 510 N 1.33 0.37 0.00 4.56 3.64 -1.92 0.02 116.57 124.58 3dla h LYS 510 Ca -0.50 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 3dla h LYS 510 Cb 1.29 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3dla h LYS 510 CO 0.57 0.25 -0.19 0.00 -2.27 0.00 0.00 179.45 177.81 3dla h THR 511 N 0.39 0.53 0.00 1.00 1.03 -1.91 -2.75 112.91 111.20 3dla h THR 511 Ca 0.51 -0.94 -0.14 0.00 -0.01 0.00 0.00 66.41 65.83 3dla h THR 511 Cb 1.31 1.64 -0.02 0.00 -1.07 0.00 0.00 68.15 70.01 3dla h THR 511 CO -0.20 0.18 -1.10 0.25 -0.01 0.00 0.00 175.52 174.65 3dla h LEU 512 N 0.00 0.00 -0.53 0.00 5.85 -1.30 -3.41 115.31 115.92 3dla h LEU 512 Ca -0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.82 3dla h LEU 512 Cb 0.62 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.55 3dla h LEU 512 CO 0.02 0.54 -0.13 0.40 -0.34 0.00 0.00 178.44 178.94 3dla h ILE 513 N 0.00 0.47 -0.71 4.05 1.08 -1.36 -1.43 117.51 119.61 3dla h ILE 513 Ca -0.10 -0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3dla h ILE 513 Cb 1.50 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 35.68 3dla h ILE 513 CO 0.05 0.00 0.47 0.06 -0.69 0.00 0.00 178.15 178.04 3dla h GLN 514 N 0.00 0.91 -0.05 2.37 3.07 -1.79 -0.64 115.11 118.99 3dla h GLN 514 Ca 0.26 -0.05 -0.14 0.00 0.09 0.00 0.00 58.65 58.80 3dla h GLN 514 Cb 0.39 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 3dla h GLN 514 CO -0.55 0.60 -0.61 0.45 0.09 0.00 0.00 178.83 178.82 3dla h HIS 515 N 0.94 0.23 -0.54 0.06 3.86 -1.55 -0.96 115.15 117.20 3dla h HIS 515 Ca 0.27 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 3dla h HIS 515 Cb -0.07 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3dla h HIS 515 CO -0.00 0.74 -0.05 -0.07 0.86 0.00 0.00 177.93 179.42 3dla h LEU 516 N 0.13 0.94 -0.03 2.43 -0.00 -0.42 0.22 115.31 118.58 3dla h LEU 516 Ca -0.01 -0.27 -0.03 0.00 -0.00 0.00 0.00 57.88 57.57 3dla h LEU 516 Cb 1.11 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 3dla h LEU 516 CO 0.09 1.02 -0.10 0.40 -0.00 0.00 0.00 178.44 179.85 3dla h ILE 517 N 0.87 1.47 -0.98 1.22 2.04 -1.14 -1.62 117.51 119.37 3dla h ILE 517 Ca 0.15 -1.54 0.20 0.00 1.00 0.00 0.00 64.86 64.68 3dla h ILE 517 Cb 0.57 2.41 -0.09 0.00 -0.74 0.00 0.00 36.82 38.97 3dla h ILE 517 CO 0.03 0.42 0.62 -0.09 0.00 0.00 0.00 178.15 179.13 3dla h ARG 518 N -0.44 0.59 -0.50 2.37 2.43 -1.18 0.14 114.38 117.79 3dla h ARG 518 Ca -0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3dla h ARG 518 Cb 0.73 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3dla h ARG 518 CO 0.02 0.39 0.01 2.35 -1.51 0.00 0.00 179.97 181.23 3dla h TRP 519 N 0.61 0.89 -0.10 2.20 7.01 -0.27 -2.17 115.95 124.11 3dla h TRP 519 Ca 0.55 -0.13 -0.14 0.00 2.11 0.00 0.00 58.89 61.29 3dla h TRP 519 Cb 1.06 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.86 3dla h TRP 519 CO -0.00 0.81 -0.53 0.28 -2.79 0.00 0.00 178.44 176.20 3dla h VAL 520 N 0.77 1.35 0.83 2.65 2.07 0.08 -1.83 116.25 122.17 3dla h VAL 520 Ca 0.15 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 3dla h VAL 520 Cb 0.46 1.87 0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3dla h VAL 520 CO 0.02 0.54 -0.40 0.40 0.02 0.00 0.00 177.57 178.15 3dla h ILE 521 N 0.22 0.01 0.00 4.57 1.08 -0.61 -2.53 117.51 120.25 3dla h ILE 521 Ca 0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 3dla h ILE 521 Cb 1.01 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3dla h ILE 521 CO 0.09 0.00 0.00 0.77 -0.69 0.00 0.00 178.15 178.32 3dla h SER 522 N -1.29 0.00 0.32 1.72 4.64 -1.43 0.06 113.55 117.56 3dla h SER 522 Ca -0.11 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.92 3dla h SER 522 Cb 0.86 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.97 3dla h SER 522 CO 0.19 0.00 -1.22 0.00 -0.87 0.00 0.00 176.83 174.93 3dla h ALA 523 N 2.12 0.07 -0.39 5.18 0.00 -1.31 -3.48 119.26 121.45 3dla h ALA 523 Ca 0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 54.91 53.94 3dla h ALA 523 Cb 0.30 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3dla h ALA 523 CO 0.00 0.79 -0.15 0.41 0.00 0.00 0.00 179.25 180.30 3dla n GLY 524 N 1.38 0.98 0.30 0.00 0.00 0.01 -4.92 105.19 102.94 3dla n GLY 524 Ca -0.11 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 3dla n GLY 524 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3dla h GLU 525 N 0.10 0.74 -6.75 1.61 9.09 -1.85 -3.39 114.58 114.12 3dla h GLU 525 Ca -0.17 -0.13 -0.49 0.00 0.05 0.00 0.00 59.36 58.63 3dla h GLU 525 Cb 0.62 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.58 3dla h GLU 525 CO 0.24 0.64 0.10 -0.06 0.05 0.00 0.00 179.01 179.99 3dla s PHE 526 N -5.25 3.39 0.00 2.06 0.08 -1.26 -5.07 117.98 111.92 3dla s PHE 526 Ca -0.09 1.19 0.00 0.00 0.12 0.00 0.00 56.93 58.15 3dla s PHE 526 Cb 0.16 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.09 3dla s PHE 526 CO 0.78 0.05 0.00 0.41 -0.10 0.00 0.00 175.22 176.36 3dla n GLY 527 N -0.55 -3.35 0.22 4.36 0.00 -1.26 -4.66 105.19 99.95 3dla n GLY 527 Ca 0.03 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 3dla n GLY 527 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dla h GLU 528 N 0.00 0.76 -0.33 1.61 5.08 -1.98 -3.02 114.58 116.70 3dla h GLU 528 Ca 0.00 -0.56 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 3dla h GLU 528 Cb 0.00 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3dla h GLU 528 CO 0.00 1.18 0.04 1.57 -1.00 0.00 0.00 179.01 180.80 3dla h LYS 529 N 0.49 0.56 -0.54 2.33 -0.00 -1.97 -0.50 116.57 116.94 3dla h LYS 529 Ca -0.02 -0.15 0.07 0.00 -0.00 0.00 0.00 60.65 60.54 3dla h LYS 529 Cb 1.25 -0.06 -0.06 0.00 -0.00 0.00 0.00 32.23 33.36 3dla h LYS 529 CO 0.13 0.65 0.22 0.28 -0.00 0.00 0.00 179.45 180.74 3dla h VAL 530 N 0.38 0.86 -0.89 0.07 2.07 -1.86 -2.20 116.25 114.68 3dla h VAL 530 Ca 0.10 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3dla h VAL 530 Cb 0.37 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3dla h VAL 530 CO 0.01 0.08 0.58 1.23 0.02 0.00 0.00 177.57 179.48 3dla h GLY 531 N 0.43 1.26 0.91 2.17 0.00 -1.35 -2.44 103.07 104.06 3dla h GLY 531 Ca 0.26 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 3dla h GLY 531 CO -0.23 0.48 -0.24 0.83 0.00 0.00 0.00 176.54 177.37 3dla h GLU 532 N 1.21 -0.60 -0.44 4.80 5.08 -0.49 0.62 114.58 124.77 3dla h GLU 532 Ca 0.32 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3dla h GLU 532 Cb -0.12 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3dla h GLU 532 CO -0.07 -0.40 0.29 -0.24 -1.00 0.00 0.00 179.01 177.59 3dla h VAL 533 N -0.62 1.12 -0.71 3.13 3.04 -1.42 -1.06 116.25 119.72 3dla h VAL 533 Ca -0.05 -0.21 0.14 0.00 -1.01 0.00 0.00 66.70 65.57 3dla h VAL 533 Cb 0.50 0.48 -0.10 0.00 -2.01 0.00 0.00 31.29 30.16 3dla h VAL 533 CO 0.05 0.11 0.19 -0.07 -1.01 0.00 0.00 177.57 176.85 3dla h LEU 534 N 0.59 0.06 -1.15 3.16 3.38 -1.37 0.10 115.31 120.09 3dla h LEU 534 Ca 0.16 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 3dla h LEU 534 Cb -0.06 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3dla h LEU 534 CO -0.03 0.00 0.25 -0.61 0.09 0.00 0.00 178.44 178.14 3dla h GLN 535 N 0.30 0.84 0.00 1.13 5.75 0.32 -2.08 115.11 121.37 3dla h GLN 535 Ca 0.39 -0.12 -0.07 0.00 -0.15 0.00 0.00 58.65 58.70 3dla h GLN 535 Cb 0.63 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 3dla h GLN 535 CO -0.46 0.68 -0.34 0.66 -2.65 0.00 0.00 178.83 176.72 3dla h SER 536 N 0.84 0.00 -0.37 -0.69 4.64 0.22 -0.62 113.55 117.57 3dla h SER 536 Ca 0.20 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3dla h SER 536 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3dla h SER 536 CO -0.02 0.34 0.21 0.58 -0.87 0.00 0.00 176.83 177.07 3dla h VAL 537 N 0.00 1.13 -0.01 0.95 2.07 -0.25 0.38 116.25 120.53 3dla h VAL 537 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3dla h VAL 537 Cb 0.99 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3dla h VAL 537 CO 0.04 0.14 -0.00 -0.07 0.02 0.00 0.00 177.57 177.70 3dla h LEU 538 N 0.47 -0.01 -1.32 2.57 4.07 -1.05 -2.44 115.31 117.59 3dla h LEU 538 Ca 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 3dla h LEU 538 Cb 0.03 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 3dla h LEU 538 CO -0.02 -0.00 -0.07 0.44 -1.08 0.00 0.00 178.44 177.71 3dla h ASP 539 N -0.00 0.35 0.37 -0.43 3.32 -0.94 -2.03 116.42 117.05 3dla h ASP 539 Ca 0.00 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 3dla h ASP 539 Cb 0.01 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3dla h ASP 539 CO -0.01 0.46 -0.49 0.74 -1.72 0.00 0.00 179.24 178.23 3dla h THR 540 N 0.36 1.35 -2.85 0.35 2.02 -0.78 -3.51 112.91 109.85 3dla h THR 540 Ca 0.08 -1.69 -0.49 0.00 0.77 0.00 0.00 66.41 65.07 3dla h THR 540 Cb 0.35 1.85 -0.14 0.00 -1.74 0.00 0.00 68.15 68.47 3dla h THR 540 CO 0.02 0.50 -0.57 -1.61 0.37 0.00 0.00 175.52 174.22 3dla s GLU 541 N -3.96 1.74 0.00 6.66 2.02 -0.77 -5.10 118.70 119.29 3dla s GLU 541 Ca -0.03 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 52.95 3dla s GLU 541 Cb 0.13 -0.69 0.00 0.00 0.10 0.00 0.00 34.13 33.67 3dla s GLU 541 CO 0.77 -0.32 0.00 0.00 0.02 0.00 0.00 175.26 175.73 3dla n ALA 559 N -0.76 0.00 -1.46 5.21 0.00 -1.26 -5.01 120.51 117.24 3dla n ALA 559 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.34 3dla n ALA 559 Cb 0.66 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.30 3dla n ALA 559 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3dla n LYS 560 N 0.00 1.90 -0.39 0.00 3.00 -1.26 -4.12 118.16 117.29 3dla n LYS 560 Ca 0.00 -3.21 0.05 0.00 -0.00 0.00 0.00 58.31 55.15 3dla n LYS 560 Cb 0.00 -1.86 0.21 0.00 0.00 0.00 0.00 35.03 33.39 3dla n LYS 560 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3dla n VAL 561 N -1.12 1.16 0.00 3.15 0.24 -1.26 -5.09 118.33 115.41 3dla n VAL 561 Ca 0.36 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3dla n VAL 561 Cb 1.08 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 3dla n VAL 561 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dla n GLY 562 N 0.70 -1.67 3.67 7.63 0.00 -1.26 -4.89 105.19 109.37 3dla n GLY 562 Ca 0.15 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 3dla n GLY 562 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dla s PRO 563 N -2.08 4.14 0.33 1.61 0.02 -1.26 -4.85 135.00 132.91 3dla s PRO 563 Ca 0.00 2.61 0.07 0.00 0.02 0.00 0.00 61.00 63.70 3dla s PRO 563 Cb 0.00 -4.07 0.77 0.00 0.02 0.00 0.00 34.50 31.22 3dla s PRO 563 CO 0.00 -0.94 1.82 0.74 -0.33 0.00 0.00 177.00 178.29 3dla h PHE 564 N 10.26 0.96 -0.92 6.54 0.04 -1.96 -1.45 116.94 130.41 3dla h PHE 564 Ca -0.49 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.39 3dla h PHE 564 Cb 1.23 -0.29 -0.11 0.00 2.20 0.00 0.00 35.95 38.98 3dla h PHE 564 CO 0.93 0.28 -0.55 0.00 -0.60 0.00 0.00 178.31 178.37 3dla h ALA 565 N 1.61 -0.52 -0.49 2.45 0.00 -1.97 0.86 119.26 121.20 3dla h ALA 565 Ca 0.52 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.53 3dla h ALA 565 Cb 0.83 1.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.95 3dla h ALA 565 CO -0.29 -0.91 0.24 -0.07 0.00 0.00 0.00 179.25 178.22 3dla h LEU 566 N -0.01 0.61 0.13 0.00 4.07 -1.65 -2.13 115.31 116.33 3dla h LEU 566 Ca 0.15 -0.05 -0.29 0.00 0.08 0.00 0.00 57.88 57.77 3dla h LEU 566 Cb 0.39 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3dla h LEU 566 CO -0.87 0.52 -1.37 -0.61 -1.08 0.00 0.00 178.44 175.03 3dla h GLN 567 N 0.69 0.27 -0.10 1.13 5.75 -0.50 -2.37 115.11 119.98 3dla h GLN 567 Ca 0.17 -0.46 -0.07 0.00 -0.15 0.00 0.00 58.65 58.14 3dla h GLN 567 Cb 0.07 0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 3dla h GLN 567 CO -0.02 1.18 -0.26 -0.44 -2.65 0.00 0.00 178.83 176.63 3dla h ASP 568 N 0.07 0.17 -0.31 -0.69 5.19 0.74 -0.54 116.42 121.06 3dla h ASP 568 Ca -0.18 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.14 3dla h ASP 568 Cb 2.00 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.45 3dla h ASP 568 CO 0.19 0.45 0.04 0.15 -3.12 0.00 0.00 179.24 176.94 3dla h PHE 569 N 0.16 0.56 -0.35 4.55 3.57 -1.16 -2.01 116.94 122.26 3dla h PHE 569 Ca 0.03 -0.08 -0.16 0.00 3.53 0.00 0.00 57.97 61.29 3dla h PHE 569 Cb 0.56 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3dla h PHE 569 CO 0.01 0.62 -0.40 0.77 -2.23 0.00 0.00 178.31 177.08 3dla h SER 570 N 0.34 0.91 -0.51 0.41 0.02 -1.30 -2.97 113.55 110.45 3dla h SER 570 Ca 0.09 -0.42 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 3dla h SER 570 Cb 0.37 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 3dla h SER 570 CO 0.01 1.19 0.24 0.25 -1.14 0.00 0.00 176.83 177.38 3dla h LEU 571 N 0.70 0.32 -0.04 5.07 5.85 -0.94 -1.67 115.31 124.60 3dla h LEU 571 Ca 0.06 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3dla h LEU 571 Cb 0.97 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 3dla h LEU 571 CO 0.09 0.22 0.02 0.15 -0.34 0.00 0.00 178.44 178.58 3dla h PHE 572 N 0.46 0.05 -0.18 1.25 3.04 -1.31 0.55 116.94 120.80 3dla h PHE 572 Ca 0.23 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.22 3dla h PHE 572 Cb 0.18 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.63 3dla h PHE 572 CO -0.12 0.04 -0.07 1.96 -2.02 0.00 0.00 178.31 178.10 3dla h GLN 573 N 0.04 -0.03 -0.02 1.11 1.08 -1.34 0.16 115.11 116.11 3dla h GLN 573 Ca 0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3dla h GLN 573 Cb 0.00 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3dla h GLN 573 CO -0.00 -0.02 -0.02 0.28 -0.95 0.00 0.00 178.83 178.12 3dla h VAL 574 N -0.03 1.37 0.00 -0.54 2.07 -1.02 0.19 116.25 118.29 3dla h VAL 574 Ca 0.09 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 3dla h VAL 574 Cb 0.17 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3dla h VAL 574 CO -0.20 0.30 -0.21 0.25 0.02 0.00 0.00 177.57 177.72 3dla h LEU 575 N -0.41 0.00 0.05 2.57 5.85 0.19 -1.44 115.31 122.12 3dla h LEU 575 Ca 0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.37 3dla h LEU 575 Cb 0.49 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3dla h LEU 575 CO 0.00 0.21 -2.04 -1.14 -0.34 0.00 0.00 178.44 175.14 3dla n ARG 576 N -3.52 0.67 0.00 1.25 3.00 0.56 -4.70 116.66 113.91 3dla n ARG 576 Ca -0.01 0.30 0.00 0.00 -0.00 0.00 0.00 57.85 58.15 3dla n ARG 576 Cb 0.37 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.19 3dla n ARG 576 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3dla n TYR 577 N -3.75 0.00 -3.54 -0.14 4.01 -0.02 -4.88 117.16 108.84 3dla n TYR 577 Ca -0.39 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.10 3dla n TYR 577 Cb 0.93 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 40.01 3dla n TYR 577 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dla n GLY 578 N 0.97 -0.53 3.77 2.72 0.00 -0.54 -4.83 105.19 106.75 3dla n GLY 578 Ca 0.00 0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3dla n GLY 578 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dla s PHE 579 N -3.26 2.87 0.63 1.61 0.08 -1.23 -4.96 117.98 113.71 3dla s PHE 579 Ca 0.54 1.42 -0.18 0.00 0.12 0.00 0.00 56.93 58.83 3dla s PHE 579 Cb -0.25 -3.65 -0.03 0.00 -0.57 0.00 0.00 43.02 38.53 3dla s PHE 579 CO 0.66 -1.99 1.17 2.89 -0.10 0.00 0.00 175.22 177.85 3dla n ARG 580 N 0.20 1.06 -0.26 0.44 1.85 -1.26 -4.76 116.66 113.93 3dla n ARG 580 Ca 0.03 0.41 0.10 0.00 -1.00 0.00 0.00 57.85 57.40 3dla n ARG 580 Cb 0.44 -2.40 0.35 0.00 -1.05 0.00 0.00 32.46 29.80 3dla n ARG 580 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3dla h PRO 581 N 0.56 0.73 0.00 2.89 0.11 -1.94 -0.29 132.00 134.06 3dla h PRO 581 Ca -0.50 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 3dla h PRO 581 Cb 1.35 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3dla h PRO 581 CO 0.52 0.48 -0.28 0.66 -0.21 0.00 0.00 178.00 179.18 3dla h SER 582 N 0.75 0.00 0.03 -2.05 4.64 -1.91 -0.29 113.55 114.73 3dla h SER 582 Ca 0.42 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3dla h SER 582 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3dla h SER 582 CO -0.18 0.28 -0.02 0.50 -0.87 0.00 0.00 176.83 176.54 3dla h LYS 583 N 0.00 -0.05 -0.16 4.77 1.63 -1.42 -1.81 116.57 119.54 3dla h LYS 583 Ca -0.00 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 3dla h LYS 583 Cb 0.59 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.21 3dla h LYS 583 CO 0.04 0.25 -0.03 0.82 -3.45 0.00 0.00 179.45 177.07 3dla h ILE 584 N -0.34 0.85 -0.65 2.00 2.04 -0.99 -1.08 117.51 119.35 3dla h ILE 584 Ca -0.00 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3dla h ILE 584 Cb 0.31 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 3dla h ILE 584 CO 0.01 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.49 3dla h ALA 585 N 1.15 0.88 0.25 1.87 0.00 -1.08 0.25 119.26 122.58 3dla h ALA 585 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3dla h ALA 585 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dla h ALA 585 CO -0.16 -0.04 -0.12 0.35 0.00 0.00 0.00 179.25 179.28 3dla h PHE 586 N 0.59 -0.31 -0.07 0.00 3.57 -1.05 -1.00 116.94 118.66 3dla h PHE 586 Ca 0.31 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.82 3dla h PHE 586 Cb 0.27 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3dla h PHE 586 CO -0.10 -0.15 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.70 3dla h LEU 587 N -0.40 -0.18 -1.18 0.59 3.38 -0.76 -1.46 115.31 115.31 3dla h LEU 587 Ca -0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dla h LEU 587 Cb 0.30 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3dla h LEU 587 CO 0.06 -0.08 0.36 0.00 0.09 0.00 0.00 178.44 178.87 3dla h ALA 588 N 1.00 1.37 0.13 1.53 0.00 -0.46 0.05 119.26 122.88 3dla h ALA 588 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3dla h ALA 588 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dla h ALA 588 CO -0.11 0.51 -0.06 2.35 0.00 0.00 0.00 179.25 181.93 3dla h TRP 589 N 0.94 -0.16 -0.74 0.00 7.01 -0.95 0.22 115.95 122.27 3dla h TRP 589 Ca 0.24 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.38 3dla h TRP 589 Cb 0.03 0.05 -0.10 0.00 -2.10 0.00 0.00 29.16 27.04 3dla h TRP 589 CO 0.01 0.17 0.25 0.45 -2.79 0.00 0.00 178.44 176.52 3dla h HIS 590 N -0.51 0.41 -0.38 2.65 3.86 -0.99 -1.27 115.15 118.92 3dla h HIS 590 Ca -0.02 0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 3dla h HIS 590 Cb 0.40 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 3dla h HIS 590 CO 0.03 -0.00 -0.29 0.00 0.86 0.00 0.00 177.93 178.53 3dla h ALA 591 N 1.57 0.55 0.00 2.45 0.00 -0.73 -3.40 119.26 119.69 3dla h ALA 591 Ca 0.41 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3dla h ALA 591 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3dla h ALA 591 CO -0.45 0.58 -1.83 0.91 0.00 0.00 0.00 179.25 178.46 3dla n TRP 592 N -4.16 0.00 0.28 0.00 7.02 0.77 -4.65 117.44 116.69 3dla n TRP 592 Ca -0.02 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.59 3dla n TRP 592 Cb 0.49 -0.48 0.81 0.00 -2.42 0.00 0.00 31.31 29.71 3dla n TRP 592 CO 0.00 0.00 0.00 -2.95 -2.02 0.00 0.00 177.69 172.72 3dla h ASN 593 N 0.00 0.00 -3.22 -0.99 -1.07 -1.36 -2.93 115.58 106.01 3dla h ASN 593 Ca -0.11 0.00 -0.54 0.00 0.07 0.00 0.00 56.30 55.72 3dla h ASN 593 Cb 1.08 0.00 -0.37 0.00 -2.07 0.00 0.00 38.32 36.96 3dla h ASN 593 CO 0.01 0.05 -0.80 -0.62 0.07 0.00 0.00 177.43 176.14 3dla s ASP 594 N -6.26 2.41 0.26 6.14 2.15 -1.26 -4.36 116.67 115.74 3dla s ASP 594 Ca -0.04 -0.42 0.26 0.00 0.43 0.00 0.00 52.55 52.77 3dla s ASP 594 Cb 0.15 -0.88 0.77 0.00 -0.30 0.00 0.00 42.92 42.66 3dla s ASP 594 CO 0.58 -0.14 1.75 0.00 -0.17 0.00 0.00 175.17 177.19 3dla h ALA 595 N 8.15 1.00 0.00 3.66 0.00 -1.85 -3.01 119.26 127.21 3dla h ALA 595 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3dla h ALA 595 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3dla h ALA 595 CO 0.41 0.00 -0.58 0.93 0.00 0.00 0.00 179.25 180.01 3dla h GLU 596 N 0.00 0.00 -5.76 0.00 3.07 -1.95 -3.46 114.58 106.48 3dla h GLU 596 Ca 0.00 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.19 3dla h GLU 596 Cb 0.73 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.54 3dla h GLU 596 CO 0.00 0.00 -0.53 1.03 -1.40 0.00 0.00 179.01 178.11 3dla s ARG 597 N -3.22 3.27 0.09 2.33 3.00 -1.14 -4.98 118.95 118.31 3dla s ARG 597 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 55.73 55.55 3dla s ARG 597 Cb 0.11 -3.04 0.00 0.00 0.00 0.00 0.00 34.95 32.02 3dla s ARG 597 CO 0.72 0.75 0.00 0.41 0.00 0.00 0.00 175.30 177.18 3dla n GLY 598 N 2.05 -2.81 3.81 -3.53 0.00 -1.26 -4.88 105.19 98.56 3dla n GLY 598 Ca -0.19 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 3dla n GLY 598 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dla s ASN 599 N -4.15 7.13 -0.00 1.61 0.01 -1.26 -5.07 114.94 113.21 3dla s ASN 599 Ca 0.00 1.37 -0.06 0.00 -0.71 0.00 0.00 52.86 53.47 3dla s ASN 599 Cb 0.00 -2.40 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 3dla s ASN 599 CO 0.00 0.20 0.24 0.26 -1.51 0.00 0.00 177.10 176.30 3dla s TRP 600 N -1.22 3.57 1.18 2.20 0.52 -1.26 -4.74 118.94 119.18 3dla s TRP 600 Ca 0.34 0.53 -0.13 0.00 0.02 0.00 0.00 56.10 56.85 3dla s TRP 600 Cb -0.20 -1.95 0.29 0.00 -1.15 0.00 0.00 33.47 30.46 3dla s TRP 600 CO 0.21 0.62 1.03 -2.14 0.02 0.00 0.00 176.95 176.69 3dla s PRO 601 N -1.77 -1.01 0.55 4.98 0.02 -1.26 -4.84 135.00 131.68 3dla s PRO 601 Ca 0.27 0.71 -0.21 0.00 0.02 0.00 0.00 61.00 61.78 3dla s PRO 601 Cb -0.13 -1.55 -0.04 0.00 0.02 0.00 0.00 34.50 32.79 3dla s PRO 601 CO 0.16 -3.75 1.33 -2.14 -0.33 0.00 0.00 177.00 172.27 3dla s PRO 602 N -4.56 3.10 0.00 5.54 0.02 -1.26 -4.22 135.00 133.62 3dla s PRO 602 Ca 0.68 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.87 3dla s PRO 602 Cb -0.24 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.08 3dla s PRO 602 CO 0.64 -1.20 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 3dla n GLY 603 N 0.72 1.40 2.86 0.52 0.00 -1.26 -5.07 105.19 104.35 3dla n GLY 603 Ca 0.11 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3dla n GLY 603 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dla s PHE 604 N -2.00 2.70 0.44 1.61 0.40 -1.26 -5.10 117.98 114.76 3dla s PHE 604 Ca 0.00 -2.72 -0.25 0.00 -0.60 0.00 0.00 56.93 53.36 3dla s PHE 604 Cb 0.00 -2.39 -0.09 0.00 0.51 0.00 0.00 43.02 41.05 3dla s PHE 604 CO 0.00 -0.81 1.20 -2.30 0.70 0.00 0.00 175.22 174.01 3dla n PRO 605 N 3.67 1.72 0.20 0.24 -0.02 -1.26 -4.78 135.00 134.77 3dla n PRO 605 Ca 0.05 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.26 3dla n PRO 605 Cb 0.36 -2.30 0.58 0.00 -0.02 0.00 0.00 33.50 32.12 3dla n PRO 605 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3dla h LYS 606 N 1.84 0.00 0.00 -0.52 6.56 -1.99 0.66 116.57 123.12 3dla h LYS 606 Ca -0.47 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.02 3dla h LYS 606 Cb 1.31 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.96 3dla h LYS 606 CO 0.59 0.00 -0.46 1.03 -2.06 0.00 0.00 179.45 178.55 3dla h SER 607 N 0.00 0.00 -0.93 0.86 0.87 -2.04 -3.28 113.55 109.03 3dla h SER 607 Ca 0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 3dla h SER 607 Cb 0.32 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 61.91 3dla h SER 607 CO 0.00 0.46 -0.14 -0.62 -0.53 0.00 0.00 176.83 176.00 3dla n GLU 608 N -3.95 3.24 -3.86 2.24 -0.58 0.23 -4.83 120.64 113.13 3dla n GLU 608 Ca -0.02 -3.85 -0.28 0.00 -0.42 0.00 0.00 57.16 52.59 3dla n GLU 608 Cb 0.48 -2.28 -0.12 0.00 -0.57 0.00 0.00 31.44 28.95 3dla n GLU 608 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3dla s ARG 609 N -3.70 2.19 0.52 3.49 0.52 -1.24 -4.76 118.95 115.99 3dla s ARG 609 Ca 0.56 -3.04 -0.17 0.00 -0.52 0.00 0.00 55.73 52.55 3dla s ARG 609 Cb 0.45 -3.20 -0.07 0.00 0.52 0.00 0.00 34.95 32.64 3dla s ARG 609 CO -0.01 -1.25 1.01 -1.25 0.02 0.00 0.00 175.30 173.82 3dla s PRO 610 N -1.02 3.77 0.11 3.54 0.04 -1.26 -4.86 135.00 135.32 3dla s PRO 610 Ca 0.23 1.11 0.09 0.00 0.04 0.00 0.00 61.00 62.47 3dla s PRO 610 Cb -0.09 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3dla s PRO 610 CO -0.13 -0.43 -0.18 -1.54 0.04 0.00 0.00 177.00 174.76 3dla s SER 611 N -2.72 3.86 -0.03 6.66 1.04 -1.26 -4.75 113.70 116.50 3dla s SER 611 Ca 0.62 -0.56 0.05 0.00 0.48 0.00 0.00 55.95 56.54 3dla s SER 611 Cb -0.13 -0.54 -0.03 0.00 0.10 0.00 0.00 66.02 65.43 3dla s SER 611 CO 0.29 0.18 -0.15 -0.31 0.98 0.00 0.00 173.24 174.23 3dla s TYR 612 N -1.13 2.66 0.59 5.02 2.02 -1.11 -4.98 117.35 120.42 3dla s TYR 612 Ca 0.18 -0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.54 3dla s TYR 612 Cb -0.11 -1.59 -0.05 0.00 -0.40 0.00 0.00 41.96 39.82 3dla s TYR 612 CO 0.10 0.19 1.02 -1.54 -1.57 0.00 0.00 175.55 173.75 3dla s SER 613 N -0.87 6.17 0.23 2.29 1.04 -1.26 -3.93 113.70 117.37 3dla s SER 613 Ca 0.12 1.58 -0.06 0.00 0.48 0.00 0.00 55.95 58.07 3dla s SER 613 Cb -0.11 -2.50 0.33 0.00 0.10 0.00 0.00 66.02 63.84 3dla s SER 613 CO 0.01 -0.91 1.82 0.25 0.98 0.00 0.00 173.24 175.40 3dla h LEU 614 N 0.23 0.67 -1.19 2.42 5.85 -1.97 0.13 115.31 121.45 3dla h LEU 614 Ca -0.46 0.03 0.25 0.00 0.84 0.00 0.00 57.88 58.55 3dla h LEU 614 Cb 1.20 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.02 3dla h LEU 614 CO 0.60 0.41 0.63 0.00 -0.34 0.00 0.00 178.44 179.75 3dla h ALA 615 N 1.41 2.01 0.06 1.25 0.00 -1.85 0.44 119.26 122.57 3dla h ALA 615 Ca 0.36 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.22 3dla h ALA 615 Cb 0.26 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dla h ALA 615 CO -0.21 -0.44 -0.56 0.93 0.00 0.00 0.00 179.25 178.97 3dla h GLU 616 N 0.50 0.28 -0.80 0.00 5.08 -1.66 -2.45 114.58 115.53 3dla h GLU 616 Ca 0.61 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 3dla h GLU 616 Cb 1.34 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.67 3dla h GLU 616 CO -0.38 1.12 0.51 0.82 -1.00 0.00 0.00 179.01 180.07 3dla h ILE 617 N -0.38 1.09 0.73 3.13 2.04 -0.20 -1.68 117.51 122.25 3dla h ILE 617 Ca -0.09 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3dla h ILE 617 Cb 1.36 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3dla h ILE 617 CO 0.11 0.18 -0.35 -0.09 0.00 0.00 0.00 178.15 177.99 3dla h ARG 618 N 0.96 -0.94 -0.82 2.37 2.43 -0.23 -2.28 114.38 115.88 3dla h ARG 618 Ca 0.33 0.06 0.16 0.00 -0.81 0.00 0.00 59.98 59.73 3dla h ARG 618 Cb 0.07 0.21 -0.15 0.00 -0.42 0.00 0.00 29.97 29.68 3dla h ARG 618 CO -0.13 -0.60 -0.23 1.25 -1.51 0.00 0.00 179.97 178.75 3dla h HIS 619 N -1.12 -0.51 0.00 2.20 2.76 -1.27 -1.48 115.15 115.74 3dla h HIS 619 Ca -0.10 0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3dla h HIS 619 Cb 0.77 0.35 -0.00 0.00 1.55 0.00 0.00 27.41 30.08 3dla h HIS 619 CO -0.01 -0.36 -0.01 -1.49 -1.30 0.00 0.00 177.93 174.76 3dla h TRP 620 N -0.01 0.00 -0.10 5.26 -0.00 -1.30 -2.76 115.95 117.04 3dla h TRP 620 Ca 0.38 0.00 -0.18 0.00 -0.00 0.00 0.00 58.89 59.09 3dla h TRP 620 Cb 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.77 3dla h TRP 620 CO -0.66 0.01 -0.65 1.25 -0.00 0.00 0.00 178.44 178.39 3dla h LEU 621 N 0.00 0.74 -0.33 -4.49 6.46 -0.70 -0.00 115.31 116.99 3dla h LEU 621 Ca -0.00 -0.66 0.07 0.00 -0.12 0.00 0.00 57.88 57.17 3dla h LEU 621 Cb 0.77 -0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 40.41 3dla h LEU 621 CO 0.00 1.29 -0.10 1.56 -0.62 0.00 0.00 178.44 180.57 3dla h GLN 622 N 0.26 -0.03 -0.83 1.25 4.20 -1.14 0.11 115.11 118.94 3dla h GLN 622 Ca -0.05 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3dla h GLN 622 Cb 1.30 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.05 3dla h GLN 622 CO 0.13 -0.02 0.40 0.82 -0.67 0.00 0.00 178.83 179.49 3dla h ILE 623 N -0.03 1.26 0.27 2.54 1.08 -1.39 -2.62 117.51 118.61 3dla h ILE 623 Ca 0.16 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 3dla h ILE 623 Cb 0.28 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 3dla h ILE 623 CO -0.36 0.31 -0.13 0.15 -0.69 0.00 0.00 178.15 177.43 3dla h PHE 624 N 1.18 -0.34 -0.76 1.37 3.57 -0.10 -1.83 116.94 120.02 3dla h PHE 624 Ca 0.29 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 3dla h PHE 624 Cb 0.12 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3dla h PHE 624 CO 0.01 -0.13 0.32 -0.39 -2.23 0.00 0.00 178.31 175.89 3dla h VAL 625 N -0.47 1.25 0.31 1.41 -1.51 -0.62 0.43 116.25 117.05 3dla h VAL 625 Ca -0.04 -0.76 -0.02 0.00 -1.23 0.00 0.00 66.70 64.66 3dla h VAL 625 Cb 0.35 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 29.83 3dla h VAL 625 CO 0.06 0.31 -0.15 -0.61 -1.23 0.00 0.00 177.57 175.95 3dla h GLN 626 N 1.10 -0.41 -0.19 5.19 5.75 -1.50 -0.50 115.11 124.55 3dla h GLN 626 Ca 0.26 0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.74 3dla h GLN 626 Cb 0.17 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 3dla h GLN 626 CO -0.03 -0.22 -0.05 0.00 -2.65 0.00 0.00 178.83 175.89 3dla h ARG 627 N -0.50 0.37 0.59 1.69 3.08 -1.08 -1.78 114.38 116.76 3dla h ARG 627 Ca -0.04 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 3dla h ARG 627 Cb 0.38 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.41 3dla h ARG 627 CO 0.07 0.64 -0.28 0.35 -1.07 0.00 0.00 179.97 179.67 3dla h PHE 628 N 0.08 -0.74 0.00 3.04 3.57 -0.15 -1.20 116.94 121.55 3dla h PHE 628 Ca 0.05 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3dla h PHE 628 Cb 0.50 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3dla h PHE 628 CO 0.05 -0.40 -0.34 1.88 -2.23 0.00 0.00 178.31 177.27 3dla h TYR 629 N -1.01 0.00 0.00 0.41 0.05 -1.22 -3.40 116.97 111.80 3dla h TYR 629 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 3dla h TYR 629 Cb 0.67 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.41 3dla h TYR 629 CO -0.00 0.00 -0.01 0.45 -1.05 0.00 0.00 178.16 177.55 3dla n SER 630 N -2.27 0.29 -0.18 3.88 2.88 -0.92 -4.69 113.62 112.61 3dla n SER 630 Ca 0.04 0.04 -0.08 0.00 -1.33 0.00 0.00 58.87 57.54 3dla n SER 630 Cb 0.45 -0.11 0.01 0.00 -0.75 0.00 0.00 64.21 63.82 3dla n SER 630 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3dla h PHE 631 N -0.01 0.82 0.00 0.66 3.57 -1.26 -3.39 116.94 117.33 3dla h PHE 631 Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3dla h PHE 631 Cb 0.01 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.51 3dla h PHE 631 CO -0.00 0.70 -0.86 -1.13 -2.23 0.00 0.00 178.31 174.78 3dla n SER 632 N -4.50 0.63 -0.01 0.41 3.41 -0.46 -4.37 113.62 108.73 3dla n SER 632 Ca 0.02 -0.16 -0.03 0.00 -0.26 0.00 0.00 58.87 58.44 3dla n SER 632 Cb 0.18 0.58 0.21 0.00 -0.26 0.00 0.00 64.21 64.92 3dla n SER 632 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3dla h GLN 633 N 0.00 0.56 -0.54 4.33 5.75 -1.77 -1.59 115.11 121.85 3dla h GLN 633 Ca 0.00 -0.18 0.08 0.00 -0.15 0.00 0.00 58.65 58.40 3dla h GLN 633 Cb 0.70 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 3dla h GLN 633 CO 0.00 0.70 0.37 0.27 -2.65 0.00 0.00 178.83 177.51 3dla h PHE 634 N 0.51 0.43 -0.04 3.99 -0.00 -1.80 0.15 116.94 120.18 3dla h PHE 634 Ca 0.09 0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 58.06 3dla h PHE 634 Cb 0.56 -0.14 -0.00 0.00 -0.00 0.00 0.00 35.95 36.37 3dla h PHE 634 CO 0.02 0.22 -0.01 0.87 -0.00 0.00 0.00 178.31 179.41 3dla h LYS 635 N 0.42 0.07 0.00 6.09 1.57 -1.59 -2.77 116.57 120.37 3dla h LYS 635 Ca 0.24 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3dla h LYS 635 Cb 0.41 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3dla h LYS 635 CO -0.06 0.41 0.00 2.89 -0.57 0.00 0.00 179.45 182.12 3dla n ARG 636 N -4.86 0.27 0.06 3.15 1.85 -0.82 -3.69 116.66 112.62 3dla n ARG 636 Ca -0.07 0.07 -0.08 0.00 -1.00 0.00 0.00 57.85 56.76 3dla n ARG 636 Cb 0.21 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.17 3dla n ARG 636 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3dla h SER 637 N 0.00 0.41 -2.44 2.89 0.87 -0.42 -3.26 113.55 111.59 3dla h SER 637 Ca 0.00 -0.26 -0.69 0.00 -1.23 0.00 0.00 61.79 59.61 3dla h SER 637 Cb 0.26 -0.12 -0.36 0.00 -0.44 0.00 0.00 62.40 61.74 3dla h SER 637 CO 0.00 0.98 0.01 0.00 -0.53 0.00 0.00 176.83 177.29 3dla n ALA 638 N -2.50 4.72 -2.35 6.23 0.00 -1.24 -4.84 120.51 120.54 3dla n ALA 638 Ca -0.04 -4.76 -0.39 0.00 0.00 0.00 0.00 53.44 48.25 3dla n ALA 638 Cb 0.68 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 3dla n ALA 638 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dla s LEU 639 N -2.91 4.48 1.12 0.00 2.96 -1.23 -5.01 118.68 118.09 3dla s LEU 639 Ca 0.38 1.25 -0.12 0.00 -0.22 0.00 0.00 54.13 55.42 3dla s LEU 639 Cb 0.14 -2.95 0.26 0.00 0.50 0.00 0.00 46.19 44.14 3dla s LEU 639 CO -0.00 0.19 1.05 -2.84 -1.32 0.00 0.00 176.35 173.42 3dla s PRO 640 N -0.67 -0.56 0.65 0.98 0.02 -1.26 -5.02 135.00 129.14 3dla s PRO 640 Ca 0.31 0.90 -0.11 0.00 0.02 0.00 0.00 61.00 62.12 3dla s PRO 640 Cb -0.19 -1.59 -0.02 0.00 0.02 0.00 0.00 34.50 32.72 3dla s PRO 640 CO 0.19 -3.50 1.04 -0.80 -0.33 0.00 0.00 177.00 173.60 3dla s ASN 641 N -2.63 5.84 0.00 2.53 0.01 -1.26 -4.79 114.94 114.64 3dla s ASN 641 Ca 0.68 1.52 0.00 0.00 -0.71 0.00 0.00 52.86 54.35 3dla s ASN 641 Cb -0.24 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 38.94 3dla s ASN 641 CO 0.63 -1.13 0.00 0.61 -1.51 0.00 0.00 177.10 175.70 3dla n GLY 642 N -2.34 1.36 3.79 0.66 0.00 -1.26 0.14 105.19 107.54 3dla n GLY 642 Ca 0.07 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 3dla n GLY 642 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dla s PRO 643 N -2.00 4.42 0.49 1.61 0.04 -1.26 -4.96 135.00 133.33 3dla s PRO 643 Ca 0.00 1.01 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 3dla s PRO 643 Cb 0.00 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.34 3dla s PRO 643 CO 0.00 0.52 1.35 0.21 0.04 0.00 0.00 177.00 179.12 3dla s LYS 644 N -1.42 3.48 0.00 4.56 2.20 -1.26 -4.04 119.74 123.26 3dla s LYS 644 Ca 0.37 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 3dla s LYS 644 Cb -0.20 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 3dla s LYS 644 CO 0.23 -0.91 0.00 0.28 -0.36 0.00 0.00 175.35 174.59 3dla n VAL 645 N -0.56 0.02 -3.50 4.02 0.31 -1.26 -4.97 118.33 112.39 3dla n VAL 645 Ca 0.08 0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 64.11 3dla n VAL 645 Cb 0.44 -1.46 -0.04 0.00 -0.91 0.00 0.00 33.84 31.87 3dla n VAL 645 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3dla s SER 646 N -5.01 6.48 0.39 4.52 0.15 -1.26 -4.89 113.70 114.08 3dla s SER 646 Ca 0.00 0.67 0.26 0.00 0.70 0.00 0.00 55.95 57.57 3dla s SER 646 Cb 0.00 -2.12 0.68 0.00 -1.71 0.00 0.00 66.02 62.86 3dla s SER 646 CO 0.00 -0.08 1.72 1.12 1.20 0.00 0.00 173.24 177.20 3dla h HIS 647 N 2.18 0.00 -0.32 3.44 -0.00 -1.98 -2.70 115.15 115.78 3dla h HIS 647 Ca -0.47 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 59.99 3dla h HIS 647 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.58 3dla h HIS 647 CO 0.59 0.00 0.28 0.78 -0.00 0.00 0.00 177.93 179.58 3dla h GLY 648 N 3.67 0.00 0.00 6.13 0.00 -1.93 -3.49 103.07 107.45 3dla h GLY 648 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dla h GLY 648 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3dla n GLY 649 N -1.51 1.46 3.28 4.60 0.00 -1.02 -4.03 105.19 107.97 3dla n GLY 649 Ca 0.05 -2.25 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 3dla n GLY 649 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dla s ALA 650 N -1.38 1.70 -0.20 4.61 0.00 -1.26 -4.36 121.76 120.87 3dla s ALA 650 Ca 0.00 -1.85 0.14 0.00 0.00 0.00 0.00 51.96 50.25 3dla s ALA 650 Cb 0.00 1.34 0.41 0.00 0.00 0.00 0.00 23.12 24.87 3dla s ALA 650 CO 0.00 -0.59 1.27 1.28 0.00 0.00 0.00 175.76 177.73 3dla n LEU 651 N -0.51 3.04 -4.73 0.00 4.77 -1.26 -4.31 117.00 114.00 3dla n LEU 651 Ca 0.04 -3.50 -0.42 0.00 -0.03 0.00 0.00 56.01 52.10 3dla n LEU 651 Cb 0.64 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3dla n LEU 651 CO 0.33 1.05 1.09 -0.55 -1.33 0.00 0.00 177.39 177.99 3dla s SER 652 N -2.81 6.74 0.00 -1.43 0.15 -1.26 -4.72 113.70 110.37 3dla s SER 652 Ca 0.38 2.51 0.24 0.00 0.70 0.00 0.00 55.95 59.79 3dla s SER 652 Cb 0.34 -2.61 1.11 0.00 -1.71 0.00 0.00 66.02 63.16 3dla s SER 652 CO -0.00 -0.67 1.80 -0.81 1.20 0.00 0.00 173.24 174.75 3dla n PRO 653 N 3.12 0.11 0.00 5.44 -0.04 -1.26 -1.03 135.00 141.35 3dla n PRO 653 Ca 0.09 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 3dla n PRO 653 Cb 0.41 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.69 3dla n PRO 653 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3dla n ARG 654 N -1.43 0.15 0.00 0.54 1.74 -1.26 -4.62 116.66 111.78 3dla n ARG 654 Ca 0.08 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3dla n ARG 654 Cb 0.26 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3dla n ARG 654 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dla n GLY 655 N 1.47 1.70 0.18 -0.13 0.00 -0.20 -4.98 105.19 103.25 3dla n GLY 655 Ca 0.07 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3dla n GLY 655 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dla h ASP 656 N 0.00 0.00 -2.68 1.61 5.19 -1.75 -3.42 116.42 115.38 3dla h ASP 656 Ca 0.00 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.92 3dla h ASP 656 Cb 0.00 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 39.12 3dla h ASP 656 CO 0.00 0.00 -0.75 0.86 -3.12 0.00 0.00 179.24 176.23 3dla s TRP 657 N -3.41 0.17 -0.39 4.55 -0.11 -1.04 -4.94 118.94 113.77 3dla s TRP 657 Ca 0.04 -0.73 -0.13 0.00 1.22 0.00 0.00 56.10 56.51 3dla s TRP 657 Cb 0.09 -0.81 0.02 0.00 -1.50 0.00 0.00 33.47 31.28 3dla s TRP 657 CO 0.48 -0.84 0.25 1.03 -4.62 0.00 0.00 176.95 173.26 3dla s ARG 658 N 2.15 2.89 0.09 5.86 0.52 -1.26 -4.04 118.95 125.16 3dla s ARG 658 Ca 0.09 -1.05 -0.05 0.00 -0.52 0.00 0.00 55.73 54.19 3dla s ARG 658 Cb -0.16 -3.86 -0.02 0.00 0.52 0.00 0.00 34.95 31.44 3dla s ARG 658 CO -0.35 -0.73 0.11 0.00 0.02 0.00 0.00 175.30 174.35 3dla s ALA 659 N 1.62 0.17 0.46 2.13 0.00 -1.26 -5.15 121.76 119.72 3dla s ALA 659 Ca 0.03 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 50.83 3dla s ALA 659 Cb -0.19 0.50 -0.08 0.00 0.00 0.00 0.00 23.12 23.35 3dla s ALA 659 CO 0.08 -0.48 1.07 -2.14 0.00 0.00 0.00 175.76 174.30 3dla s PRO 660 N -3.91 3.86 0.00 0.00 0.02 -1.26 -4.95 135.00 128.76 3dla s PRO 660 Ca 0.09 1.50 0.24 0.00 0.02 0.00 0.00 61.00 62.86 3dla s PRO 660 Cb 0.06 -2.28 0.51 0.00 0.02 0.00 0.00 34.50 32.81 3dla s PRO 660 CO -0.08 -0.40 1.44 0.43 -0.33 0.00 0.00 177.00 178.06 3dla n SER 661 N -0.63 2.62 -2.52 2.53 7.64 -1.26 -4.45 113.62 117.54 3dla n SER 661 Ca 0.08 -1.85 -0.13 0.00 1.01 0.00 0.00 58.87 57.97 3dla n SER 661 Cb 0.51 -0.08 0.03 0.00 -1.01 0.00 0.00 64.21 63.65 3dla n SER 661 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3dla n ASP 662 N 1.00 2.96 -4.35 6.43 5.75 -1.26 -4.56 116.55 122.52 3dla n ASP 662 Ca 0.17 -2.93 -0.32 0.00 -0.01 0.00 0.00 54.79 51.71 3dla n ASP 662 Cb 0.51 -0.45 -0.15 0.00 -1.03 0.00 0.00 41.12 40.00 3dla n ASP 662 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3dla s MET 663 N -3.55 2.30 0.74 0.11 1.75 -1.26 -5.13 119.30 114.26 3dla s MET 663 Ca 0.37 -0.86 -0.11 0.00 -1.25 0.00 0.00 55.69 53.83 3dla s MET 663 Cb 0.39 -2.16 0.04 0.00 2.84 0.00 0.00 34.83 35.95 3dla s MET 663 CO -0.03 0.54 1.12 -1.54 -0.65 0.00 0.00 175.02 174.46 3dla s SER 664 N -0.55 5.05 -0.21 1.11 1.04 -1.26 -4.22 113.70 114.65 3dla s SER 664 Ca 0.08 0.94 0.14 0.00 0.48 0.00 0.00 55.95 57.59 3dla s SER 664 Cb -0.11 -1.62 0.46 0.00 0.10 0.00 0.00 66.02 64.85 3dla s SER 664 CO 0.00 -1.57 1.36 0.00 0.98 0.00 0.00 173.24 174.01 3dla n ALA 665 N -3.11 3.34 -0.29 5.32 0.00 -1.26 -4.78 120.51 119.73 3dla n ALA 665 Ca 0.07 -2.76 0.10 0.00 0.00 0.00 0.00 53.44 50.85 3dla n ALA 665 Cb 0.59 -0.61 0.23 0.00 0.00 0.00 0.00 19.45 19.66 3dla n ALA 665 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dla h ARG 666 N 1.05 0.13 -0.05 0.00 2.43 -1.97 -2.15 114.38 113.82 3dla h ARG 666 Ca 0.07 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 3dla h ARG 666 Cb 1.37 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 3dla h ARG 666 CO 0.21 0.08 -0.52 -0.84 -1.51 0.00 0.00 179.97 177.39 3dla h ILE 667 N 0.13 1.36 -0.17 1.20 3.07 -1.99 -0.94 117.51 120.17 3dla h ILE 667 Ca 0.50 -1.78 -0.09 0.00 1.55 0.00 0.00 64.86 65.05 3dla h ILE 667 Cb 0.97 1.90 -0.00 0.00 -0.27 0.00 0.00 36.82 39.42 3dla h ILE 667 CO -0.71 0.52 -0.23 -0.50 -1.05 0.00 0.00 178.15 176.18 3dla h TRP 668 N 0.10 0.56 -0.20 0.16 6.55 -1.80 -1.99 115.95 119.34 3dla h TRP 668 Ca 0.00 -0.19 -0.04 0.00 0.95 0.00 0.00 58.89 59.62 3dla h TRP 668 Cb 0.95 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 29.12 3dla h TRP 668 CO 0.01 0.87 -0.05 -0.07 -1.05 0.00 0.00 178.44 178.14 3dla h LEU 669 N 0.10 0.27 -0.00 -4.49 3.38 -1.24 -2.33 115.31 111.00 3dla h LEU 669 Ca 0.02 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 3dla h LEU 669 Cb 0.80 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3dla h LEU 669 CO 0.05 0.37 -1.03 -0.78 0.09 0.00 0.00 178.44 177.14 3dla h ASP 670 N 0.29 0.09 -0.75 -0.43 3.58 -1.17 -2.45 116.42 115.57 3dla h ASP 670 Ca 0.06 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.44 3dla h ASP 670 Cb 0.29 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 3dla h ASP 670 CO 0.01 1.06 0.49 -0.61 -2.88 0.00 0.00 179.24 177.31 3dla h GLN 671 N 0.02 0.96 -0.68 0.28 5.75 -1.05 -2.03 115.11 118.36 3dla h GLN 671 Ca -0.03 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 3dla h GLN 671 Cb 1.78 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 30.09 3dla h GLN 671 CO 0.14 0.64 0.25 0.82 -2.65 0.00 0.00 178.83 178.03 3dla h ILE 672 N 0.99 1.25 -0.69 2.39 2.04 -1.31 -1.21 117.51 120.96 3dla h ILE 672 Ca 0.28 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3dla h ILE 672 Cb -0.08 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 3dla h ILE 672 CO -0.07 0.32 0.37 0.44 0.00 0.00 0.00 178.15 179.20 3dla h ASP 673 N 0.98 0.87 0.49 1.72 5.19 -1.16 -2.59 116.42 121.91 3dla h ASP 673 Ca 0.22 -0.10 -0.30 0.00 -0.62 0.00 0.00 57.03 56.23 3dla h ASP 673 Cb 0.24 -0.22 0.02 0.00 0.18 0.00 0.00 39.33 39.55 3dla h ASP 673 CO -0.01 0.72 -1.35 0.03 -3.12 0.00 0.00 179.24 175.51 3dla h ARG 674 N 0.95 0.38 0.00 3.56 3.08 -1.29 -3.42 114.38 117.63 3dla h ARG 674 Ca 0.24 -0.64 -0.29 0.00 0.07 0.00 0.00 59.98 59.36 3dla h ARG 674 Cb 0.05 0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 3dla h ARG 674 CO -0.04 1.30 -2.09 0.39 -1.07 0.00 0.00 179.97 178.47 3dla n GLU 675 N -3.60 0.78 -3.08 0.04 -0.58 -0.47 -3.52 120.64 110.21 3dla n GLU 675 Ca -0.12 0.08 -0.41 0.00 -0.42 0.00 0.00 57.16 56.29 3dla n GLU 675 Cb 1.06 -1.39 -0.06 0.00 -0.57 0.00 0.00 31.44 30.48 3dla n GLU 675 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3dla s VAL 676 N -2.38 4.92 0.74 2.62 1.01 -0.98 -4.67 120.40 121.66 3dla s VAL 676 Ca -0.21 0.95 -0.15 0.00 0.00 0.00 0.00 61.98 62.57 3dla s VAL 676 Cb 0.06 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3dla s VAL 676 CO 0.50 -0.14 1.15 -2.65 0.00 0.00 0.00 175.10 173.96 3dla n PRO 677 N 5.92 0.53 0.24 2.72 -0.02 -1.26 -4.79 135.00 138.34 3dla n PRO 677 Ca -0.00 0.25 0.16 0.00 -2.02 0.00 0.00 63.50 61.89 3dla n PRO 677 Cb 0.49 -2.39 0.63 0.00 -0.02 0.00 0.00 33.50 32.21 3dla n PRO 677 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dla h LYS 678 N -0.32 0.00 0.00 -0.52 3.64 -1.95 -3.45 116.57 113.97 3dla h LYS 678 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3dla h LYS 678 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3dla h LYS 678 CO 0.48 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.07