#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lwt h MET 1 N 0.00 0.82 -7.34 4.33 2.07 -1.91 -3.45 114.93 109.44 3lwt h MET 1 Ca 0.00 -0.26 -0.50 0.00 -2.07 0.00 0.00 59.70 56.87 3lwt h MET 1 Cb 0.00 -0.08 0.06 0.00 -1.87 0.00 0.00 31.60 29.72 3lwt h MET 1 CO 0.00 0.87 0.39 0.95 1.07 0.00 0.00 176.91 180.18 3lwt s THR 2 N -4.87 4.44 0.00 2.22 -4.23 -1.26 -4.51 115.64 107.42 3lwt s THR 2 Ca -0.10 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 3lwt s THR 2 Cb 0.14 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.21 3lwt s THR 2 CO 0.82 -1.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 3lwt n GLY 3 N -2.76 -0.12 3.51 3.99 0.00 -1.26 -4.94 105.19 103.62 3lwt n GLY 3 Ca 0.06 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 3lwt n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lwt n PRO 4 N -0.18 0.13 -4.25 1.61 -0.02 -1.26 -4.82 135.00 126.22 3lwt n PRO 4 Ca 0.00 0.10 -0.17 0.00 -2.02 0.00 0.00 63.50 61.41 3lwt n PRO 4 Cb 0.00 -2.00 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 3lwt n PRO 4 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3lwt s ILE 5 N -2.08 1.29 0.12 4.25 1.01 -0.62 -1.16 121.20 124.00 3lwt s ILE 5 Ca 0.65 -1.85 0.08 0.00 0.00 0.00 0.00 60.65 59.54 3lwt s ILE 5 Cb -0.30 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3lwt s ILE 5 CO 0.58 -0.54 -0.19 0.68 0.00 0.00 0.00 174.94 175.48 3lwt s VAL 6 N -2.56 1.63 0.06 2.92 -7.23 0.23 -1.22 120.40 114.23 3lwt s VAL 6 Ca 0.12 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 3lwt s VAL 6 Cb -0.02 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 3lwt s VAL 6 CO 0.02 -0.18 -0.03 -0.72 -0.31 0.00 0.00 175.10 173.88 3lwt s TYR 7 N -1.50 0.61 -0.04 2.82 -0.85 -0.28 -1.08 117.35 117.02 3lwt s TYR 7 Ca 0.08 -1.06 0.03 0.00 -0.52 0.00 0.00 57.07 55.60 3lwt s TYR 7 Cb -0.08 -0.42 0.00 0.00 0.38 0.00 0.00 41.96 41.84 3lwt s TYR 7 CO 0.04 -0.35 -0.12 0.08 -1.52 0.00 0.00 175.55 173.68 3lwt s VAL 8 N -3.88 1.05 -0.08 -3.49 1.01 -0.46 -0.64 120.40 113.91 3lwt s VAL 8 Ca 0.09 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3lwt s VAL 8 Cb 0.08 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 3lwt s VAL 8 CO -0.08 0.32 -0.16 -1.58 0.00 0.00 0.00 175.10 173.60 3lwt s GLN 9 N 0.26 2.86 0.00 2.72 0.74 -1.26 -0.97 119.66 124.00 3lwt s GLN 9 Ca -0.06 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 54.62 3lwt s GLN 9 Cb -0.11 -2.44 0.00 0.00 1.10 0.00 0.00 33.01 31.56 3lwt s GLN 9 CO 0.02 0.42 0.00 0.27 -0.55 0.00 0.00 175.29 175.44 3lwt n ASN 10 N 2.90 0.00 0.29 6.67 0.23 -0.23 -4.91 115.26 120.22 3lwt n ASN 10 Ca -0.18 -0.94 0.17 0.00 -0.53 0.00 0.00 54.58 53.11 3lwt n ASN 10 Cb 0.52 0.00 0.90 0.00 -2.08 0.00 0.00 39.78 39.12 3lwt n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3lwt h ALA 11 N 1.17 1.16 -0.00 -2.53 0.00 -2.00 -1.51 119.26 115.55 3lwt h ALA 11 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3lwt h ALA 11 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3lwt h ALA 11 CO 0.00 0.06 -0.14 -0.25 0.00 0.00 0.00 179.25 178.91 3lwt n ASP 12 N -3.37 0.29 0.00 0.00 8.00 -1.26 -4.75 116.55 115.45 3lwt n ASP 12 Ca -0.02 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.35 3lwt n ASP 12 Cb 0.18 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3lwt n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lwt n GLY 13 N 1.39 0.46 3.49 0.44 0.00 -0.57 -1.28 105.19 109.13 3lwt n GLY 13 Ca 0.10 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 3lwt n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lwt s ILE 14 N -1.72 3.18 -0.08 -0.61 1.01 -0.33 -1.07 121.20 121.58 3lwt s ILE 14 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.00 3lwt s ILE 14 Cb 0.00 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.22 3lwt s ILE 14 CO 0.00 0.59 -0.16 -0.36 0.00 0.00 0.00 174.94 175.01 3lwt s PHE 15 N -0.68 1.80 0.02 3.97 0.08 -0.15 -0.48 117.98 122.54 3lwt s PHE 15 Ca 0.10 -0.72 0.08 0.00 0.12 0.00 0.00 56.93 56.51 3lwt s PHE 15 Cb -0.11 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 3lwt s PHE 15 CO 0.01 -0.34 -0.23 -0.06 -0.10 0.00 0.00 175.22 174.50 3lwt s PHE 16 N 0.63 2.06 0.17 0.36 0.08 0.37 -1.35 117.98 120.30 3lwt s PHE 16 Ca -0.15 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.41 3lwt s PHE 16 Cb -0.16 -1.27 -0.00 0.00 -0.57 0.00 0.00 43.02 41.02 3lwt s PHE 16 CO 0.04 0.05 0.32 -1.59 -0.10 0.00 0.00 175.22 173.94 3lwt s LYS 17 N -0.94 1.19 0.30 0.44 -2.85 -0.24 -1.48 119.74 116.16 3lwt s LYS 17 Ca 0.09 -1.14 -0.29 0.00 -1.00 0.00 0.00 55.97 53.63 3lwt s LYS 17 Cb -0.09 0.40 -0.10 0.00 -2.06 0.00 0.00 37.83 35.98 3lwt s LYS 17 CO 0.01 -0.45 1.28 -0.51 0.10 0.00 0.00 175.35 175.78 3lwt s LEU 18 N -2.96 4.44 0.34 2.77 1.02 -1.26 -0.60 118.68 122.43 3lwt s LEU 18 Ca 0.16 2.57 0.01 0.00 0.02 0.00 0.00 54.13 56.90 3lwt s LEU 18 Cb 0.03 -3.64 0.59 0.00 0.02 0.00 0.00 46.19 43.19 3lwt s LEU 18 CO -0.00 -0.48 1.99 0.00 0.02 0.00 0.00 176.35 177.88 3lwt h ALA 19 N 3.90 1.50 -3.46 4.21 0.00 -1.41 -3.38 119.26 120.62 3lwt h ALA 19 Ca -0.48 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 53.70 3lwt h ALA 19 Cb 1.22 -0.26 -0.34 0.00 0.00 0.00 0.00 17.79 18.41 3lwt h ALA 19 CO 0.68 0.45 -0.76 -1.21 0.00 0.00 0.00 179.25 178.41 3lwt s GLU 20 N -5.71 2.60 -0.65 0.00 2.02 -1.26 -5.01 118.70 110.69 3lwt s GLU 20 Ca -0.10 -1.13 -0.23 0.00 0.02 0.00 0.00 54.97 53.53 3lwt s GLU 20 Cb 0.17 -2.97 0.07 0.00 0.10 0.00 0.00 34.13 31.50 3lwt s GLU 20 CO 0.77 -0.48 0.95 0.20 0.02 0.00 0.00 175.26 176.72 3lwt s GLY 21 N 1.25 1.39 0.25 -1.39 0.00 -1.26 -5.04 107.32 102.52 3lwt s GLY 21 Ca -0.03 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 42.59 3lwt s GLY 21 CO -0.05 2.04 0.99 1.25 0.00 0.00 0.00 173.10 177.34 3lwt s LYS 22 N 4.00 4.79 0.07 2.90 2.20 -1.26 -4.91 119.74 127.52 3lwt s LYS 22 Ca 0.22 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 3lwt s LYS 22 Cb -0.17 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 3lwt s LYS 22 CO 0.11 0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 3lwt n GLY 23 N 1.39 -1.47 0.50 5.54 0.00 -1.26 -4.69 105.19 105.20 3lwt n GLY 23 Ca -0.02 -1.46 0.06 0.00 0.00 0.00 0.00 46.02 44.61 3lwt n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3lwt n THR 24 N -1.77 2.15 -2.18 2.61 5.66 -1.26 -4.64 114.28 114.85 3lwt n THR 24 Ca 0.00 -2.86 0.01 0.00 -3.05 0.00 0.00 64.05 58.16 3lwt n THR 24 Cb 0.13 -0.25 0.01 0.00 -1.55 0.00 0.00 70.33 68.67 3lwt n THR 24 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3lwt n ASN 25 N -1.20 0.35 -4.77 1.09 6.94 -1.26 -5.08 115.26 111.33 3lwt n ASN 25 Ca 0.19 -1.97 -0.39 0.00 -0.02 0.00 0.00 54.58 52.39 3lwt n ASN 25 Cb 0.71 -0.22 -0.06 0.00 -2.36 0.00 0.00 39.78 37.85 3lwt n ASN 25 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3lwt s ASP 26 N -1.34 7.41 0.32 0.53 1.11 -1.26 -4.96 116.67 118.47 3lwt s ASP 26 Ca 0.13 1.66 -0.12 0.00 0.18 0.00 0.00 52.55 54.39 3lwt s ASP 26 Cb 0.14 -2.51 -0.08 0.00 1.07 0.00 0.00 42.92 41.55 3lwt s ASP 26 CO -0.06 0.20 0.69 0.00 1.18 0.00 0.00 175.17 177.18 3lwt s ALA 27 N -1.13 3.39 -0.05 5.23 0.00 -1.26 -3.20 121.76 124.74 3lwt s ALA 27 Ca 0.36 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.27 3lwt s ALA 27 Cb -0.23 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 3lwt s ALA 27 CO 0.27 0.29 -0.22 0.08 0.00 0.00 0.00 175.76 176.18 3lwt s VAL 28 N -2.04 1.81 -0.23 0.00 1.01 -0.66 -4.52 120.40 115.77 3lwt s VAL 28 Ca 0.52 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 3lwt s VAL 28 Cb -0.10 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3lwt s VAL 28 CO 0.22 0.51 0.14 -0.63 0.00 0.00 0.00 175.10 175.34 3lwt s ILE 29 N -0.17 5.25 -0.14 2.22 -1.09 -0.55 0.15 121.20 126.88 3lwt s ILE 29 Ca -0.01 0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 3lwt s ILE 29 Cb -0.12 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 3lwt s ILE 29 CO 0.02 0.36 -0.19 -2.28 -1.23 0.00 0.00 174.94 171.62 3lwt s HIS 30 N 0.99 2.71 -0.41 3.97 5.65 0.30 -0.47 115.29 128.03 3lwt s HIS 30 Ca 0.07 -1.13 -0.17 0.00 0.25 0.00 0.00 55.06 54.09 3lwt s HIS 30 Cb -0.13 -1.83 0.02 0.00 -1.18 0.00 0.00 32.58 29.45 3lwt s HIS 30 CO 0.04 -0.50 0.41 -1.17 -0.65 0.00 0.00 174.74 172.87 3lwt s LEU 31 N 0.71 4.87 -0.03 8.88 2.96 0.37 0.25 118.68 136.70 3lwt s LEU 31 Ca -0.08 -0.68 -0.25 0.00 -0.22 0.00 0.00 54.13 52.90 3lwt s LEU 31 Cb -0.16 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 3lwt s LEU 31 CO 0.01 -0.54 0.76 0.00 -1.32 0.00 0.00 176.35 175.26 3lwt s ALA 32 N 2.05 3.32 0.31 5.97 0.00 -0.39 -1.18 121.76 131.84 3lwt s ALA 32 Ca 0.11 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.34 3lwt s ALA 32 Cb -0.17 -3.02 0.53 0.00 0.00 0.00 0.00 23.12 20.46 3lwt s ALA 32 CO 0.13 -0.07 1.81 -0.97 0.00 0.00 0.00 175.76 176.65 3lwt h ASN 33 N 6.46 0.46 -0.20 0.00 -1.24 -1.48 0.49 115.58 120.07 3lwt h ASN 33 Ca -0.42 -0.12 0.05 0.00 0.71 0.00 0.00 56.30 56.53 3lwt h ASN 33 Cb 1.20 -0.12 -0.06 0.00 0.73 0.00 0.00 38.32 40.07 3lwt h ASN 33 CO 0.74 0.63 -0.19 1.56 -1.29 0.00 0.00 177.43 178.87 3lwt h GLN 34 N 0.44 -0.20 0.00 6.67 7.50 -1.90 -3.29 115.11 124.33 3lwt h GLN 34 Ca 0.08 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.25 3lwt h GLN 34 Cb 0.49 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.07 3lwt h GLN 34 CO 0.03 -0.13 -0.06 -0.40 -1.50 0.00 0.00 178.83 176.77 3lwt n ASP 35 N -5.34 1.00 -0.53 1.46 5.75 -1.23 -5.00 116.55 112.66 3lwt n ASP 35 Ca -0.02 -1.71 -0.07 0.00 -0.01 0.00 0.00 54.79 52.98 3lwt n ASP 35 Cb 0.25 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 3lwt n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3lwt n GLN 36 N -0.34 -1.82 -2.70 0.11 1.13 0.16 -4.97 117.38 108.95 3lwt n GLN 36 Ca 0.02 0.73 -0.29 0.00 -1.94 0.00 0.00 57.00 55.51 3lwt n GLN 36 Cb 0.45 -5.17 -0.02 0.00 0.11 0.00 0.00 30.24 25.61 3lwt n GLN 36 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3lwt s GLY 37 N -2.22 1.79 -0.15 1.08 0.00 -1.24 -4.63 107.32 101.95 3lwt s GLY 37 Ca 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 44.72 44.31 3lwt s GLY 37 CO 0.00 -0.08 0.29 0.14 0.00 0.00 0.00 173.10 173.44 3lwt s VAL 38 N -2.55 5.30 0.14 1.40 1.01 -1.26 -1.26 120.40 123.18 3lwt s VAL 38 Ca 0.51 0.54 0.05 0.00 0.00 0.00 0.00 61.98 63.08 3lwt s VAL 38 Cb -0.10 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3lwt s VAL 38 CO 0.37 0.42 -0.12 -0.13 0.00 0.00 0.00 175.10 175.64 3lwt s ARG 39 N 0.27 1.07 -0.19 2.72 0.52 0.14 -4.98 118.95 118.51 3lwt s ARG 39 Ca 0.17 -1.40 -0.06 0.00 -0.52 0.00 0.00 55.73 53.92 3lwt s ARG 39 Cb -0.13 -0.75 -0.03 0.00 0.52 0.00 0.00 34.95 34.56 3lwt s ARG 39 CO 0.04 0.11 0.03 0.08 0.02 0.00 0.00 175.30 175.59 3lwt s VAL 40 N -2.93 4.45 0.35 3.52 1.01 -1.26 -0.53 120.40 125.01 3lwt s VAL 40 Ca 0.15 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.07 3lwt s VAL 40 Cb -0.00 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 3lwt s VAL 40 CO 0.02 0.45 -0.06 -0.76 0.00 0.00 0.00 175.10 174.75 3lwt s LEU 41 N 0.57 2.80 0.63 3.92 1.43 0.12 -4.97 118.68 123.17 3lwt s LEU 41 Ca 0.01 -1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 51.82 3lwt s LEU 41 Cb -0.13 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 3lwt s LEU 41 CO 0.02 -0.24 1.04 -0.83 0.23 0.00 0.00 176.35 176.57 3lwt s GLY 42 N -3.64 1.76 0.37 -3.19 0.00 -1.26 -1.65 107.32 99.71 3lwt s GLY 42 Ca 0.33 0.05 0.09 0.00 0.00 0.00 0.00 44.72 45.19 3lwt s GLY 42 CO 0.17 0.34 1.92 0.00 0.00 0.00 0.00 173.10 175.52 3lwt h ALA 43 N -0.20 1.84 0.00 3.20 0.00 -1.91 -0.91 119.26 121.28 3lwt h ALA 43 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3lwt h ALA 43 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3lwt h ALA 43 CO 0.60 -0.02 0.00 -0.85 0.00 0.00 0.00 179.25 178.98 3lwt n GLU 44 N -4.51 0.14 0.00 0.00 0.00 -1.26 -2.17 120.64 112.84 3lwt n GLU 44 Ca 0.14 0.19 0.09 0.00 0.00 0.00 0.00 57.16 57.58 3lwt n GLU 44 Cb 0.38 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.40 3lwt n GLU 44 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3lwt n GLU 45 N -1.35 1.61 -2.17 3.44 1.02 -0.35 -4.89 120.64 117.95 3lwt n GLU 45 Ca 0.06 -1.58 -0.41 0.00 -0.02 0.00 0.00 57.16 55.21 3lwt n GLU 45 Cb 0.13 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 3lwt n GLU 45 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3lwt s PHE 46 N -1.60 3.16 0.40 -0.32 5.36 -0.92 -4.92 117.98 119.14 3lwt s PHE 46 Ca 0.22 1.35 -0.27 0.00 -0.96 0.00 0.00 56.93 57.27 3lwt s PHE 46 Cb 0.16 -3.63 -0.10 0.00 -0.34 0.00 0.00 43.02 39.10 3lwt s PHE 46 CO 0.25 -1.82 1.37 -2.30 -1.46 0.00 0.00 175.22 171.26 3lwt n PRO 47 N 1.53 2.24 -0.06 10.12 -0.02 -1.26 -4.94 135.00 142.61 3lwt n PRO 47 Ca 0.02 0.79 -0.06 0.00 -2.02 0.00 0.00 63.50 62.23 3lwt n PRO 47 Cb 0.42 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 3lwt n PRO 47 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3lwt h VAL 48 N 2.44 0.77 -3.94 -1.45 2.07 -1.94 -3.46 116.25 110.75 3lwt h VAL 48 Ca -0.49 -1.59 -0.51 0.00 0.82 0.00 0.00 66.70 64.93 3lwt h VAL 48 Cb 1.27 1.47 0.05 0.00 -1.52 0.00 0.00 31.29 32.56 3lwt h VAL 48 CO 0.62 0.26 0.52 -1.58 0.02 0.00 0.00 177.57 177.41 3lwt s GLN 49 N -1.86 4.07 0.00 1.57 0.74 -1.26 -5.01 119.66 117.91 3lwt s GLN 49 Ca -0.09 1.88 0.00 0.00 0.05 0.00 0.00 55.36 57.21 3lwt s GLN 49 Cb -0.01 -2.71 0.00 0.00 1.10 0.00 0.00 33.01 31.39 3lwt s GLN 49 CO 0.30 -0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.13 3lwt n GLY 50 N 0.66 3.56 3.66 2.59 0.00 -1.26 -5.01 105.19 109.38 3lwt n GLY 50 Ca 0.04 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3lwt n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lwt s GLU 51 N -2.79 4.16 -0.16 1.61 2.12 -1.26 -5.00 118.70 117.39 3lwt s GLU 51 Ca 0.00 2.01 -0.25 0.00 0.36 0.00 0.00 54.97 57.09 3lwt s GLU 51 Cb 0.00 -3.93 -0.02 0.00 0.26 0.00 0.00 34.13 30.44 3lwt s GLU 51 CO 0.00 -0.85 0.81 0.08 -0.54 0.00 0.00 175.26 174.76 3lwt s VAL 52 N 4.01 4.90 -0.21 3.70 1.01 -1.26 -4.52 120.40 128.03 3lwt s VAL 52 Ca 0.68 1.60 -0.09 0.00 0.00 0.00 0.00 61.98 64.18 3lwt s VAL 52 Cb -0.30 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 3lwt s VAL 52 CO 0.26 0.06 0.10 -0.69 0.00 0.00 0.00 175.10 174.82 3lwt s VAL 53 N 1.97 4.99 -0.12 2.92 1.01 0.19 -4.93 120.40 126.43 3lwt s VAL 53 Ca 0.38 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.26 3lwt s VAL 53 Cb -0.17 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3lwt s VAL 53 CO 0.13 0.41 0.34 -0.54 0.00 0.00 0.00 175.10 175.44 3lwt s LYS 54 N 0.70 4.16 0.05 2.72 1.02 -1.26 -1.13 119.74 126.01 3lwt s LYS 54 Ca 0.05 0.20 0.04 0.00 0.02 0.00 0.00 55.97 56.28 3lwt s LYS 54 Cb -0.13 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 3lwt s LYS 54 CO 0.02 0.33 -0.11 0.96 -0.92 0.00 0.00 175.35 175.63 3lwt s ILE 55 N 0.14 0.83 0.23 2.17 -4.36 -0.36 -4.94 121.20 114.91 3lwt s ILE 55 Ca 0.19 -1.10 -0.01 0.00 -0.26 0.00 0.00 60.65 59.47 3lwt s ILE 55 Cb -0.14 -0.82 0.01 0.00 1.25 0.00 0.00 42.46 42.76 3lwt s ILE 55 CO 0.07 -0.24 1.61 0.00 0.24 0.00 0.00 174.94 176.62 3lwt h ALA 56 N 4.58 0.88 -1.92 2.27 0.00 -0.75 -1.66 119.26 122.67 3lwt h ALA 56 Ca -0.37 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 3lwt h ALA 56 Cb 1.19 -0.12 -0.20 0.00 0.00 0.00 0.00 17.79 18.67 3lwt h ALA 56 CO 0.41 0.63 0.25 0.45 0.00 0.00 0.00 179.25 180.99 3lwt s SER 57 N -6.84 -0.62 -0.39 0.00 0.15 -0.96 -4.16 113.70 100.90 3lwt s SER 57 Ca -0.08 0.72 -0.18 0.00 0.70 0.00 0.00 55.95 57.11 3lwt s SER 57 Cb 0.13 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 65.01 3lwt s SER 57 CO 0.82 -0.54 0.50 -0.22 1.20 0.00 0.00 173.24 175.01 3lwt s LEU 58 N -1.06 4.52 0.29 3.45 2.96 -1.26 -1.10 118.68 126.49 3lwt s LEU 58 Ca -0.09 -0.28 0.19 0.00 -0.22 0.00 0.00 54.13 53.73 3lwt s LEU 58 Cb -0.00 -2.53 0.11 0.00 0.50 0.00 0.00 46.19 44.27 3lwt s LEU 58 CO 0.08 -0.55 1.33 0.24 -1.32 0.00 0.00 176.35 176.13 3lwt h MET 59 N 8.61 0.00 0.00 1.98 2.86 -0.96 -3.43 114.93 124.00 3lwt h MET 59 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3lwt h MET 59 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3lwt h MET 59 CO 0.79 0.21 0.00 0.41 1.06 0.00 0.00 176.91 179.38 3lwt n GLY 60 N 1.20 0.40 3.21 8.32 0.00 -1.09 -4.43 105.19 112.80 3lwt n GLY 60 Ca 0.01 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 3lwt n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3lwt s PHE 61 N -3.00 1.15 -0.03 1.61 0.08 0.40 -0.30 117.98 117.90 3lwt s PHE 61 Ca 0.00 -0.71 -0.03 0.00 0.12 0.00 0.00 56.93 56.30 3lwt s PHE 61 Cb 0.00 -0.61 0.01 0.00 -0.57 0.00 0.00 43.02 41.85 3lwt s PHE 61 CO 0.00 0.03 0.09 -1.50 -0.10 0.00 0.00 175.22 173.74 3lwt s ILE 62 N -2.88 0.00 -0.38 0.64 2.07 -0.10 -4.46 121.20 116.08 3lwt s ILE 62 Ca 0.11 -0.04 -0.15 0.00 -1.41 0.00 0.00 60.65 59.16 3lwt s ILE 62 Cb -0.00 -0.15 0.01 0.00 0.13 0.00 0.00 42.46 42.45 3lwt s ILE 62 CO 0.00 -0.02 0.31 -0.75 -1.91 0.00 0.00 174.94 172.57 3lwt s LYS 63 N -0.02 3.20 -0.38 3.50 2.20 -1.26 -0.63 119.74 126.35 3lwt s LYS 63 Ca -0.01 -0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 54.78 3lwt s LYS 63 Cb -0.01 -3.91 0.10 0.00 -1.51 0.00 0.00 37.83 32.50 3lwt s LYS 63 CO 0.00 -0.65 0.15 -0.51 -0.36 0.00 0.00 175.35 173.98 3lwt s LEU 64 N 1.79 5.00 0.00 5.43 1.02 -0.37 -4.95 118.68 126.61 3lwt s LEU 64 Ca 0.07 -1.98 0.00 0.00 0.02 0.00 0.00 54.13 52.24 3lwt s LEU 64 Cb -0.18 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.26 3lwt s LEU 64 CO 0.11 -0.48 0.00 1.17 0.02 0.00 0.00 176.35 177.17 3lwt n LYS 65 N 4.52 0.00 0.07 1.70 4.81 -1.26 -2.62 118.16 125.38 3lwt n LYS 65 Ca -0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.36 3lwt n LYS 65 Cb 0.42 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.58 3lwt n LYS 65 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3lwt h LEU 66 N 0.00 0.32 -9.88 3.14 5.85 -2.02 -3.46 115.31 109.27 3lwt h LEU 66 Ca 0.00 -0.18 -0.61 0.00 0.84 0.00 0.00 57.88 57.93 3lwt h LEU 66 Cb 0.00 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3lwt h LEU 66 CO 0.00 0.84 -0.52 0.20 -0.34 0.00 0.00 178.44 178.63 3lwt s ASN 67 N -6.90 6.15 -0.10 1.25 0.02 -1.08 -4.95 114.94 109.32 3lwt s ASN 67 Ca -0.04 0.17 -0.04 0.00 -1.02 0.00 0.00 52.86 51.93 3lwt s ASN 67 Cb 0.12 -1.83 -0.04 0.00 0.02 0.00 0.00 41.25 39.52 3lwt s ASN 67 CO 0.80 0.14 0.05 -0.60 0.02 0.00 0.00 177.10 177.52 3lwt s ARG 68 N -2.66 3.16 0.09 -0.60 3.52 -1.26 -1.23 118.95 119.97 3lwt s ARG 68 Ca 0.34 -0.31 0.10 0.00 -0.13 0.00 0.00 55.73 55.72 3lwt s ARG 68 Cb -0.12 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.29 3lwt s ARG 68 CO 0.27 0.72 -0.26 0.71 -0.81 0.00 0.00 175.30 175.92 3lwt s TYR 69 N -0.89 2.33 -0.05 5.12 2.02 0.20 -4.39 117.35 121.69 3lwt s TYR 69 Ca 0.13 -0.39 -0.14 0.00 -0.37 0.00 0.00 57.07 56.31 3lwt s TYR 69 Cb -0.12 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.07 3lwt s TYR 69 CO 0.03 0.24 0.38 0.00 -1.57 0.00 0.00 175.55 174.63 3lwt s ALA 70 N -0.94 3.67 -0.27 3.71 0.00 -0.34 -0.93 121.76 126.66 3lwt s ALA 70 Ca 0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 3lwt s ALA 70 Cb -0.10 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.64 3lwt s ALA 70 CO 0.04 0.38 0.03 0.42 0.00 0.00 0.00 175.76 176.64 3lwt s ILE 71 N -0.65 3.72 -0.03 0.00 -1.09 0.59 -1.18 121.20 122.56 3lwt s ILE 71 Ca 0.22 -0.63 0.07 0.00 -2.23 0.00 0.00 60.65 58.08 3lwt s ILE 71 Cb -0.16 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 3lwt s ILE 71 CO 0.11 0.21 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.16 3lwt s ILE 72 N 1.49 1.91 -0.55 2.92 1.01 -0.54 -0.25 121.20 127.19 3lwt s ILE 72 Ca 0.03 -1.02 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 3lwt s ILE 72 Cb -0.16 -1.60 0.07 0.00 0.01 0.00 0.00 42.46 40.78 3lwt s ILE 72 CO 0.00 0.54 0.70 0.00 0.00 0.00 0.00 174.94 176.19 3lwt s ALA 73 N -0.41 3.35 -0.07 9.38 0.00 -0.25 -1.07 121.76 132.69 3lwt s ALA 73 Ca 0.05 -1.85 -0.24 0.00 0.00 0.00 0.00 51.96 49.92 3lwt s ALA 73 Cb -0.11 -3.48 -0.19 0.00 0.00 0.00 0.00 23.12 19.34 3lwt s ALA 73 CO 0.01 -2.21 0.92 -0.91 0.00 0.00 0.00 175.76 173.57 3lwt h ASN 74 N 9.13 -0.08 -3.99 0.00 2.35 -0.91 -1.09 115.58 121.00 3lwt h ASN 74 Ca -0.28 -0.55 -0.33 0.00 -0.55 0.00 0.00 56.30 54.59 3lwt h ASN 74 Cb 1.09 0.02 -0.15 0.00 0.05 0.00 0.00 38.32 39.33 3lwt h ASN 74 CO 1.03 0.57 -0.70 0.42 -1.65 0.00 0.00 177.43 177.11 3lwt s THR 75 N -3.27 1.10 0.11 2.81 -4.23 -1.00 -2.24 115.64 108.91 3lwt s THR 75 Ca -0.15 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.32 3lwt s THR 75 Cb -0.00 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 3lwt s THR 75 CO 0.57 -0.63 -0.02 0.68 -0.54 0.00 0.00 174.62 174.68 3lwt s VAL 76 N -3.38 0.50 0.02 2.29 -7.23 -1.26 -0.81 120.40 110.53 3lwt s VAL 76 Ca 0.20 -1.92 0.07 0.00 -1.81 0.00 0.00 61.98 58.52 3lwt s VAL 76 Cb 0.04 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 3lwt s VAL 76 CO 0.03 -0.75 -0.20 -1.83 -0.31 0.00 0.00 175.10 172.04 3lwt s GLU 77 N -3.90 1.48 0.19 4.82 -1.05 -0.49 -4.84 118.70 114.91 3lwt s GLU 77 Ca 0.15 -0.85 -0.30 0.00 -0.15 0.00 0.00 54.97 53.82 3lwt s GLU 77 Cb 0.06 -1.53 -0.09 0.00 -0.44 0.00 0.00 34.13 32.14 3lwt s GLU 77 CO -0.03 0.40 1.34 -2.00 0.95 0.00 0.00 175.26 175.93 3lwt s GLU 78 N -0.90 4.36 0.00 -4.83 2.12 -1.26 -1.36 118.70 116.83 3lwt s GLU 78 Ca 0.08 2.09 0.00 0.00 0.36 0.00 0.00 54.97 57.49 3lwt s GLU 78 Cb -0.08 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.11 3lwt s GLU 78 CO 0.01 -0.32 0.03 0.25 -0.54 0.00 0.00 175.26 174.69 3lwt n THR 79 N 2.89 0.00 -3.43 -1.70 -2.24 0.09 -4.91 114.28 104.98 3lwt n THR 79 Ca 0.07 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 3lwt n THR 79 Cb 0.42 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 3lwt n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3lwt s GLY 80 N -0.82 -0.60 -0.16 3.38 0.00 -1.16 -2.49 107.32 105.48 3lwt s GLY 80 Ca 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 44.72 45.19 3lwt s GLY 80 CO 0.00 0.18 0.37 -1.60 0.00 0.00 0.00 173.10 172.04 3lwt s ARG 81 N -3.67 0.31 -0.13 2.90 3.52 -1.26 -1.26 118.95 119.35 3lwt s ARG 81 Ca 0.02 0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 56.38 3lwt s ARG 81 Cb -0.01 0.04 0.07 0.00 -1.56 0.00 0.00 34.95 33.49 3lwt s ARG 81 CO -0.12 -0.20 0.21 0.12 -0.81 0.00 0.00 175.30 174.50 3lwt s PHE 82 N 1.81 -0.29 -1.53 5.12 5.36 -0.43 -4.88 117.98 123.14 3lwt s PHE 82 Ca -0.06 0.64 -0.13 0.00 -0.96 0.00 0.00 56.93 56.42 3lwt s PHE 82 Cb -0.10 -0.21 0.08 0.00 -0.34 0.00 0.00 43.02 42.46 3lwt s PHE 82 CO -0.11 -0.39 0.95 -1.71 -1.46 0.00 0.00 175.22 172.50 3lwt n ASN 83 N 5.33 -4.46 0.00 6.13 5.15 -1.26 -1.27 115.26 124.88 3lwt n ASN 83 Ca -0.05 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.13 3lwt n ASN 83 Cb 0.50 -3.83 0.00 0.00 -0.53 0.00 0.00 39.78 35.92 3lwt n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3lwt n GLY 84 N -1.68 2.50 3.77 8.20 0.00 -1.26 -5.01 105.19 111.72 3lwt n GLY 84 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3lwt n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3lwt s HIS 85 N -2.21 3.75 -0.15 1.61 3.76 -0.40 -5.06 115.29 116.60 3lwt s HIS 85 Ca 0.00 1.31 -0.06 0.00 -0.15 0.00 0.00 55.06 56.16 3lwt s HIS 85 Cb 0.00 -2.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.02 3lwt s HIS 85 CO 0.00 0.42 0.07 0.08 -0.85 0.00 0.00 174.74 174.46 3lwt s VAL 86 N -0.53 4.88 -0.19 -0.90 1.01 -1.26 -1.31 120.40 122.10 3lwt s VAL 86 Ca 0.32 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.21 3lwt s VAL 86 Cb -0.19 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3lwt s VAL 86 CO 0.20 0.52 0.08 -0.36 0.00 0.00 0.00 175.10 175.54 3lwt s PHE 87 N -0.16 3.27 0.01 5.22 0.08 -0.39 -4.31 117.98 121.70 3lwt s PHE 87 Ca 0.08 0.09 0.06 0.00 0.12 0.00 0.00 56.93 57.28 3lwt s PHE 87 Cb -0.12 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 3lwt s PHE 87 CO 0.01 0.14 -0.16 0.71 -0.10 0.00 0.00 175.22 175.81 3lwt s TYR 88 N 0.50 2.62 -0.12 0.36 2.02 -0.01 -0.73 117.35 121.98 3lwt s TYR 88 Ca 0.04 -0.22 -0.06 0.00 -0.37 0.00 0.00 57.07 56.46 3lwt s TYR 88 Cb -0.12 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 3lwt s TYR 88 CO 0.00 0.22 0.09 0.50 -1.57 0.00 0.00 175.55 174.80 3lwt s ARG 89 N -1.16 3.42 -0.00 -0.62 3.52 -0.46 -1.19 118.95 122.45 3lwt s ARG 89 Ca 0.14 -0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.20 3lwt s ARG 89 Cb -0.11 -3.10 -0.06 0.00 -1.56 0.00 0.00 34.95 30.12 3lwt s ARG 89 CO 0.04 0.67 1.56 0.08 -0.81 0.00 0.00 175.30 176.84 3lwt s VAL 90 N -0.75 3.47 -0.02 7.11 1.01 -0.51 -1.40 120.40 129.32 3lwt s VAL 90 Ca 0.13 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 3lwt s VAL 90 Cb -0.12 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3lwt s VAL 90 CO 0.03 -0.03 -0.04 0.18 0.00 0.00 0.00 175.10 175.24 3lwt n LEU 91 N 6.08 0.27 -4.54 3.92 4.77 0.01 -4.74 117.00 122.77 3lwt n LEU 91 Ca 0.15 0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.93 3lwt n LEU 91 Cb 0.42 -0.54 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 3lwt n LEU 91 CO 0.61 -0.48 -0.37 -1.10 -1.33 0.00 0.00 177.39 174.72 3lwt s GLN 92 N -1.24 3.13 0.36 3.23 -0.21 -1.19 -4.95 119.66 118.80 3lwt s GLN 92 Ca -0.03 -0.54 0.06 0.00 0.02 0.00 0.00 55.36 54.86 3lwt s GLN 92 Cb 0.00 -2.72 -0.07 0.00 1.00 0.00 0.00 33.01 31.23 3lwt s GLN 92 CO 0.05 0.49 0.02 -3.38 -2.12 0.00 0.00 175.29 170.35 3lwt s HIS 93 N -0.32 2.23 0.05 0.91 -3.43 -1.26 -0.28 115.29 113.19 3lwt s HIS 93 Ca 0.05 -0.79 -0.13 0.00 -0.80 0.00 0.00 55.06 53.39 3lwt s HIS 93 Cb -0.13 -1.49 0.02 0.00 -1.43 0.00 0.00 32.58 29.55 3lwt s HIS 93 CO 0.02 0.25 0.28 -1.54 -2.00 0.00 0.00 174.74 171.76 3lwt s SER 94 N -3.58 -0.09 -0.21 7.38 1.04 -0.24 -4.84 113.70 113.17 3lwt s SER 94 Ca 0.35 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.53 3lwt s SER 94 Cb 0.09 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.60 3lwt s SER 94 CO 0.16 -0.64 -0.14 -0.63 0.98 0.00 0.00 173.24 172.97 3lwt s ILE 95 N -2.78 1.96 -0.09 -1.02 1.01 -1.26 -1.47 121.20 117.55 3lwt s ILE 95 Ca -0.03 -1.16 0.03 0.00 0.00 0.00 0.00 60.65 59.49 3lwt s ILE 95 Cb -0.00 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.54 3lwt s ILE 95 CO -0.05 0.27 -0.19 -0.69 0.00 0.00 0.00 174.94 174.28 3lwt s VAL 96 N 1.27 1.70 0.38 2.92 1.01 -0.32 -4.94 120.40 122.40 3lwt s VAL 96 Ca -0.01 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.25 3lwt s VAL 96 Cb -0.16 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3lwt s VAL 96 CO -0.09 0.48 0.23 -0.94 0.00 0.00 0.00 175.10 174.78 3lwt s SER 97 N 0.54 4.79 0.00 3.32 1.04 -1.26 -1.20 113.70 120.93 3lwt s SER 97 Ca -0.16 -0.81 0.29 0.00 0.48 0.00 0.00 55.95 55.76 3lwt s SER 97 Cb -0.17 -0.65 1.33 0.00 0.10 0.00 0.00 66.02 66.63 3lwt s SER 97 CO 0.06 -0.46 1.97 0.35 0.98 0.00 0.00 173.24 176.13 3lwt n THR 98 N -1.31 0.01 -3.18 2.02 -2.24 -1.26 -4.82 114.28 103.51 3lwt n THR 98 Ca -0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 3lwt n THR 98 Cb 0.62 -0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 3lwt n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3lwt s LYS 99 N -2.85 3.90 0.07 -0.78 -0.14 -1.26 -4.81 119.74 113.87 3lwt s LYS 99 Ca 0.19 0.21 -0.23 0.00 -1.36 0.00 0.00 55.97 54.78 3lwt s LYS 99 Cb 0.19 -3.72 -0.10 0.00 -1.68 0.00 0.00 37.83 32.53 3lwt s LYS 99 CO 0.50 -0.51 1.37 0.27 -0.76 0.00 0.00 175.35 176.22 3lwt h PHE 100 N 8.19 -1.02 -3.07 3.18 -5.15 -1.97 -3.35 116.94 113.74 3lwt h PHE 100 Ca -0.28 0.03 -0.50 0.00 -0.20 0.00 0.00 57.97 57.02 3lwt h PHE 100 Cb 1.13 0.44 -0.40 0.00 0.22 0.00 0.00 35.95 37.33 3lwt h PHE 100 CO 0.75 -0.39 -0.76 1.21 -2.00 0.00 0.00 178.31 177.12 3lwt s ASN 101 N -3.91 2.84 0.19 -0.68 2.47 -1.26 -5.13 114.94 109.46 3lwt s ASN 101 Ca -0.11 -0.87 -0.13 0.00 0.42 0.00 0.00 52.86 52.18 3lwt s ASN 101 Cb 0.04 -0.40 -0.07 0.00 -1.45 0.00 0.00 41.25 39.37 3lwt s ASN 101 CO 0.40 -0.36 0.57 -0.55 -3.72 0.00 0.00 177.10 173.44 3lwt s SER 102 N 2.02 6.76 -0.38 -4.21 0.15 -1.26 -5.05 113.70 111.73 3lwt s SER 102 Ca 0.03 1.05 -0.22 0.00 0.70 0.00 0.00 55.95 57.51 3lwt s SER 102 Cb -0.16 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 61.88 3lwt s SER 102 CO -0.15 0.02 0.71 -0.60 1.20 0.00 0.00 173.24 174.42 3lwt s ARG 103 N -2.33 3.63 -0.04 5.44 3.52 -1.26 -5.07 118.95 122.85 3lwt s ARG 103 Ca 0.42 0.09 -0.03 0.00 -0.13 0.00 0.00 55.73 56.08 3lwt s ARG 103 Cb -0.13 -3.84 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 3lwt s ARG 103 CO 0.20 -0.86 0.15 0.96 -0.81 0.00 0.00 175.30 174.94 3lwt s ILE 104 N 2.95 5.30 0.88 4.11 -4.36 -1.26 -5.11 121.20 123.69 3lwt s ILE 104 Ca 0.28 -0.11 -0.12 0.00 -0.26 0.00 0.00 60.65 60.43 3lwt s ILE 104 Cb -0.14 -3.42 0.12 0.00 1.25 0.00 0.00 42.46 40.28 3lwt s ILE 104 CO 0.17 0.41 1.11 1.51 0.24 0.00 0.00 174.94 178.39 3lwt s ASP 105 N -1.64 3.77 0.26 4.36 1.47 -1.26 -4.80 116.67 118.83 3lwt s ASP 105 Ca 0.23 1.15 -0.04 0.00 1.18 0.00 0.00 52.55 55.07 3lwt s ASP 105 Cb -0.12 -1.80 0.52 0.00 -0.34 0.00 0.00 42.92 41.18 3lwt s ASP 105 CO 0.14 -2.41 1.66 0.28 0.68 0.00 0.00 175.17 175.52 3lwt h SER 106 N -1.39 -0.10 -0.48 2.11 0.02 -1.99 -1.53 113.55 110.18 3lwt h SER 106 Ca -0.50 0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.54 3lwt h SER 106 Cb 1.31 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 64.08 3lwt h SER 106 CO 0.60 -0.11 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.06 3lwt h GLU 107 N 0.20 0.93 -0.23 3.45 4.81 -1.99 -0.78 114.58 120.97 3lwt h GLU 107 Ca 0.45 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 3lwt h GLU 107 Cb 0.83 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 3lwt h GLU 107 CO -0.60 0.94 -0.39 1.49 -0.73 0.00 0.00 179.01 179.73 3lwt h GLU 108 N 0.85 0.67 -0.84 1.92 4.81 -1.75 -2.30 114.58 117.94 3lwt h GLU 108 Ca 0.15 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3lwt h GLU 108 Cb 0.55 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 3lwt h GLU 108 CO 0.03 1.03 0.47 0.00 -0.73 0.00 0.00 179.01 179.81 3lwt h ALA 109 N 0.63 1.25 -0.81 2.92 0.00 -1.01 -2.69 119.26 119.55 3lwt h ALA 109 Ca 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3lwt h ALA 109 Cb 0.98 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3lwt h ALA 109 CO 0.09 0.62 0.40 0.93 0.00 0.00 0.00 179.25 181.28 3lwt h GLU 110 N 1.17 1.16 -0.53 0.00 4.39 -1.09 -1.58 114.58 118.10 3lwt h GLU 110 Ca 0.30 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3lwt h GLU 110 Cb 0.01 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 3lwt h GLU 110 CO -0.05 0.88 0.34 -0.92 -1.16 0.00 0.00 179.01 178.10 3lwt h TYR 111 N 1.15 0.67 -0.51 4.33 3.20 -1.10 -1.56 116.97 123.15 3lwt h TYR 111 Ca 0.28 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.05 3lwt h TYR 111 Cb 0.10 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3lwt h TYR 111 CO 0.01 0.43 -0.11 0.82 -1.64 0.00 0.00 178.16 177.68 3lwt h ILE 112 N 0.71 1.27 -0.41 1.81 2.04 -1.25 -1.00 117.51 120.68 3lwt h ILE 112 Ca 0.19 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.88 3lwt h ILE 112 Cb -0.06 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3lwt h ILE 112 CO -0.04 0.44 0.02 0.50 0.00 0.00 0.00 178.15 179.06 3lwt h LYS 113 N 0.86 0.13 -0.38 2.37 3.64 -1.08 0.51 116.57 122.62 3lwt h LYS 113 Ca 0.14 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3lwt h LYS 113 Cb 0.65 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3lwt h LYS 113 CO 0.05 0.08 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.24 3lwt h LEU 114 N 0.13 0.57 -0.22 5.20 3.38 -0.86 -0.25 115.31 123.26 3lwt h LEU 114 Ca 0.20 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 3lwt h LEU 114 Cb 0.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3lwt h LEU 114 CO -0.32 0.64 -0.57 0.25 0.09 0.00 0.00 178.44 178.54 3lwt h LEU 115 N 0.57 0.88 -0.72 1.67 5.85 -0.69 -2.77 115.31 120.11 3lwt h LEU 115 Ca 0.12 -0.57 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 3lwt h LEU 115 Cb 0.37 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3lwt h LEU 115 CO 0.01 1.29 0.44 -0.08 -0.34 0.00 0.00 178.44 179.76 3lwt h GLU 116 N 0.51 0.97 -0.94 1.25 4.57 -0.59 0.32 114.58 120.68 3lwt h GLU 116 Ca -0.01 -0.08 0.08 0.00 -1.18 0.00 0.00 59.36 58.17 3lwt h GLU 116 Cb 1.18 -0.21 -0.07 0.00 -0.16 0.00 0.00 28.75 29.50 3lwt h GLU 116 CO 0.12 0.68 0.59 -0.07 -1.18 0.00 0.00 179.01 179.15 3lwt h LEU 117 N 0.98 0.91 -0.12 1.64 3.38 -1.03 -0.07 115.31 120.99 3lwt h LEU 117 Ca 0.26 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 3lwt h LEU 117 Cb -0.04 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.55 3lwt h LEU 117 CO -0.05 0.55 -0.50 -0.74 0.09 0.00 0.00 178.44 177.80 3lwt h HIS 118 N 1.03 0.74 -0.47 1.13 2.76 -1.07 -2.30 115.15 116.97 3lwt h HIS 118 Ca 0.42 -0.31 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 3lwt h HIS 118 Cb 0.26 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 3lwt h HIS 118 CO -0.02 1.09 0.10 -0.07 -1.30 0.00 0.00 177.93 177.73 3lwt h LEU 119 N 0.18 0.67 -0.69 0.26 3.38 -0.56 -2.21 115.31 116.34 3lwt h LEU 119 Ca -0.03 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 3lwt h LEU 119 Cb 1.13 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3lwt h LEU 119 CO 0.10 0.68 -0.54 0.11 0.09 0.00 0.00 178.44 178.89 3lwt h LYS 120 N 0.70 0.32 0.00 1.13 1.57 -1.03 -3.28 116.57 115.98 3lwt h LYS 120 Ca 0.15 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3lwt h LYS 120 Cb 0.29 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3lwt h LYS 120 CO 0.00 0.78 -0.98 -1.71 -0.57 0.00 0.00 179.45 176.97 3lwt n ASN 121 N -3.93 0.74 -4.96 0.86 5.15 -0.87 -4.90 115.26 107.35 3lwt n ASN 121 Ca -0.02 0.19 -0.22 0.00 -0.60 0.00 0.00 54.58 53.93 3lwt n ASN 121 Cb 0.58 0.51 -0.02 0.00 -0.53 0.00 0.00 39.78 40.32 3lwt n ASN 121 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3lwt s SER 122 N -4.88 6.31 -0.17 1.20 0.01 -0.86 -4.95 113.70 110.36 3lwt s SER 122 Ca 0.01 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.37 3lwt s SER 122 Cb 0.11 -1.86 0.02 0.00 0.21 0.00 0.00 66.02 64.49 3lwt s SER 122 CO 0.78 -0.04 -0.20 0.42 0.41 0.00 0.00 173.24 174.61 3lwt s THR 123 N -1.92 2.08 -0.02 1.44 -4.23 -1.25 -4.95 115.64 106.79 3lwt s THR 123 Ca 0.34 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.96 3lwt s THR 123 Cb -0.09 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 3lwt s THR 123 CO 0.29 0.54 -0.17 -0.36 -0.54 0.00 0.00 174.62 174.38 3lwt s PHE 124 N 1.13 2.60 0.07 3.99 0.08 -1.25 -3.52 117.98 121.09 3lwt s PHE 124 Ca 0.01 -0.23 0.04 0.00 0.12 0.00 0.00 56.93 56.87 3lwt s PHE 124 Cb -0.14 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 3lwt s PHE 124 CO -0.09 0.15 -0.12 0.71 -0.10 0.00 0.00 175.22 175.78 3lwt s TYR 125 N -0.75 1.07 0.19 0.36 2.02 -0.31 -1.42 117.35 118.51 3lwt s TYR 125 Ca 0.12 -0.53 -0.16 0.00 -0.37 0.00 0.00 57.07 56.13 3lwt s TYR 125 Cb -0.10 -0.60 0.02 0.00 -0.40 0.00 0.00 41.96 40.88 3lwt s TYR 125 CO 0.01 0.02 0.49 -0.59 -1.57 0.00 0.00 175.55 173.91 3lwt s PHE 126 N -1.67 -0.04 -0.03 2.71 -0.12 -0.34 -1.12 117.98 117.38 3lwt s PHE 126 Ca -0.01 -0.31 0.02 0.00 -0.05 0.00 0.00 56.93 56.58 3lwt s PHE 126 Cb -0.08 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.65 3lwt s PHE 126 CO 0.01 -0.89 -0.09 0.45 -0.05 0.00 0.00 175.22 174.65 3lwt s SER 127 N -2.89 1.26 0.48 1.98 0.15 -1.26 -0.83 113.70 112.60 3lwt s SER 127 Ca 0.10 -0.20 0.27 0.00 0.70 0.00 0.00 55.95 56.82 3lwt s SER 127 Cb -0.00 -0.37 1.17 0.00 -1.71 0.00 0.00 66.02 65.11 3lwt s SER 127 CO -0.02 0.06 1.93 1.88 1.20 0.00 0.00 173.24 178.29 3lwt h TYR 128 N 6.47 0.00 0.00 3.44 0.05 -1.93 -3.32 116.97 121.68 3lwt h TYR 128 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.45 3lwt h TYR 128 Cb 1.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 3lwt h TYR 128 CO 0.45 0.17 -0.22 0.25 -1.05 0.00 0.00 178.16 177.75 3lwt n THR 129 N -3.43 0.00 -4.72 -2.88 -2.24 -1.26 -4.56 114.28 95.19 3lwt n THR 129 Ca -0.01 -0.40 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 3lwt n THR 129 Cb 0.35 0.97 -0.16 0.00 -2.10 0.00 0.00 70.33 69.40 3lwt n THR 129 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3lwt s TYR 130 N -1.39 1.44 -0.71 4.78 5.04 -1.25 -4.90 117.35 120.35 3lwt s TYR 130 Ca 0.01 -0.34 -0.20 0.00 -2.44 0.00 0.00 57.07 54.10 3lwt s TYR 130 Cb 0.03 -0.96 0.10 0.00 0.35 0.00 0.00 41.96 41.48 3lwt s TYR 130 CO 0.15 -0.08 0.91 0.34 -1.34 0.00 0.00 175.55 175.53 3lwt s ASP 131 N -0.14 6.31 0.12 4.32 -1.08 -1.26 -4.13 116.67 120.82 3lwt s ASP 131 Ca 0.01 -1.46 0.15 0.00 -0.52 0.00 0.00 52.55 50.74 3lwt s ASP 131 Cb -0.08 -2.37 0.68 0.00 -1.46 0.00 0.00 42.92 39.69 3lwt s ASP 131 CO 0.00 -1.21 1.47 0.18 0.52 0.00 0.00 175.17 176.14 3lwt n LEU 132 N 6.84 0.28 0.01 -1.34 4.77 -1.26 -2.21 117.00 124.09 3lwt n LEU 132 Ca 0.02 0.59 0.14 0.00 -0.03 0.00 0.00 56.01 56.72 3lwt n LEU 132 Cb 0.45 -0.57 0.59 0.00 -2.33 0.00 0.00 43.42 41.56 3lwt n LEU 132 CO 0.58 -0.49 0.94 0.35 -1.33 0.00 0.00 177.39 177.43 3lwt n THR 133 N -1.83 0.05 -4.27 -5.08 -2.24 -1.26 -4.78 114.28 94.88 3lwt n THR 133 Ca 0.02 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 3lwt n THR 133 Cb 0.13 -0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 67.78 3lwt n THR 133 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3lwt s ASN 134 N -3.14 4.33 0.88 3.42 0.02 -0.94 -4.38 114.94 115.15 3lwt s ASN 134 Ca 0.14 -0.52 -0.11 0.00 -1.02 0.00 0.00 52.86 51.34 3lwt s ASN 134 Cb 0.18 -0.77 0.12 0.00 0.02 0.00 0.00 41.25 40.80 3lwt s ASN 134 CO 0.54 0.12 1.09 -0.94 0.02 0.00 0.00 177.10 177.93 3lwt s SER 135 N -2.72 3.53 0.31 -1.22 1.04 -1.26 -4.79 113.70 108.60 3lwt s SER 135 Ca 0.24 1.65 -0.00 0.00 0.48 0.00 0.00 55.95 58.32 3lwt s SER 135 Cb -0.09 -2.31 0.50 0.00 0.10 0.00 0.00 66.02 64.22 3lwt s SER 135 CO 0.15 -2.62 1.94 0.25 0.98 0.00 0.00 173.24 173.94 3lwt h LEU 136 N -1.54 0.81 -0.47 2.42 5.85 -1.98 0.01 115.31 120.41 3lwt h LEU 136 Ca -0.48 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.06 3lwt h LEU 136 Cb 1.27 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3lwt h LEU 136 CO 0.52 0.65 -0.19 -0.61 -0.34 0.00 0.00 178.44 178.47 3lwt h GLN 137 N 0.92 0.95 -0.75 1.25 4.15 -1.95 -0.73 115.11 118.95 3lwt h GLN 137 Ca 0.24 -0.40 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 3lwt h GLN 137 Cb 0.01 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 3lwt h GLN 137 CO -0.04 1.07 0.27 0.00 -1.93 0.00 0.00 178.83 178.19 3lwt h ARG 138 N 0.80 1.13 -0.13 1.69 3.08 -1.81 -2.72 114.38 116.41 3lwt h ARG 138 Ca 0.11 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3lwt h ARG 138 Cb 0.76 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3lwt h ARG 138 CO 0.06 0.93 -0.06 -0.91 -1.07 0.00 0.00 179.97 178.93 3lwt h ASN 139 N 1.09 0.18 0.19 7.04 2.35 -0.85 -0.59 115.58 124.99 3lwt h ASN 139 Ca 0.25 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 3lwt h ASN 139 Cb 0.25 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3lwt h ASN 139 CO -0.02 0.27 -0.38 -0.08 -1.65 0.00 0.00 177.43 175.57 3lwt h GLU 140 N 0.19 0.27 0.04 0.81 4.57 -0.82 -2.50 114.58 117.14 3lwt h GLU 140 Ca 0.04 -0.12 -0.25 0.00 -1.18 0.00 0.00 59.36 57.85 3lwt h GLU 140 Cb 0.23 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3lwt h GLU 140 CO 0.01 0.62 -1.06 -0.22 -1.18 0.00 0.00 179.01 177.18 3lwt h LYS 141 N 0.23 0.49 0.32 1.92 3.64 -1.12 -3.32 116.57 118.74 3lwt h LYS 141 Ca 0.02 -0.59 -0.01 0.00 -1.27 0.00 0.00 60.65 58.80 3lwt h LYS 141 Cb 0.78 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3lwt h LYS 141 CO 0.06 1.22 -0.18 0.28 -2.27 0.00 0.00 179.45 178.56 3lwt h VAL 142 N 0.25 0.00 0.00 2.00 2.07 -1.02 -3.48 116.25 116.08 3lwt h VAL 142 Ca -0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3lwt h VAL 142 Cb 1.72 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3lwt h VAL 142 CO 0.19 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.39 3lwt n GLY 143 N -1.24 1.07 0.21 2.17 0.00 -0.95 -4.86 105.19 101.59 3lwt n GLY 143 Ca -0.06 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3lwt n GLY 143 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lwt n PRO 144 N 0.00 0.00 0.00 1.61 -0.01 -1.26 -4.68 135.00 130.66 3lwt n PRO 144 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 3lwt n PRO 144 Cb 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 33.50 33.27 3lwt n PRO 144 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3lwt n ALA 145 N 0.00 0.00 -3.63 3.55 0.00 -1.26 -4.73 120.51 114.43 3lwt n ALA 145 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3lwt n ALA 145 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3lwt n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lwt n ALA 146 N 0.00 -0.20 -3.00 0.00 0.00 -1.26 -4.56 120.51 111.49 3lwt n ALA 146 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3lwt n ALA 146 Cb 0.00 0.80 0.00 0.00 0.00 0.00 0.00 19.45 20.25 3lwt n ALA 146 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3lwt n SER 147 N -1.83 0.00 0.14 0.00 3.41 -1.26 -4.74 113.62 109.34 3lwt n SER 147 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.79 3lwt n SER 147 Cb 0.36 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 65.07 3lwt n SER 147 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3lwt h TRP 148 N 0.00 0.00 0.00 7.33 5.08 -1.91 -1.70 115.95 124.76 3lwt h TRP 148 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.93 3lwt h TRP 148 Cb 0.00 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 3lwt h TRP 148 CO 0.00 0.00 -0.21 0.87 -1.28 0.00 0.00 178.44 177.82 3lwt h LYS 149 N 0.00 0.00 -0.29 0.12 1.57 -1.96 -2.75 116.57 113.27 3lwt h LYS 149 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3lwt h LYS 149 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3lwt h LYS 149 CO -0.00 0.21 0.00 0.25 -0.57 0.00 0.00 179.45 179.34 3lwt n THR 150 N -3.66 0.63 -1.60 -0.16 -2.24 -0.65 -5.00 114.28 101.58 3lwt n THR 150 Ca -0.01 -0.81 -0.37 0.00 -2.27 0.00 0.00 64.05 60.59 3lwt n THR 150 Cb 0.34 0.80 0.07 0.00 -2.10 0.00 0.00 70.33 69.43 3lwt n THR 150 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lwt n ALA 151 N 0.80 0.48 -2.59 6.98 0.00 -1.04 -4.94 120.51 120.21 3lwt n ALA 151 Ca 0.12 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 3lwt n ALA 151 Cb 0.43 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 3lwt n ALA 151 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3lwt s ASP 152 N -1.40 6.84 0.51 0.00 -1.08 -1.26 -4.91 116.67 115.37 3lwt s ASP 152 Ca 0.79 1.02 0.29 0.00 -0.52 0.00 0.00 52.55 54.12 3lwt s ASP 152 Cb -0.38 -2.54 1.35 0.00 -1.46 0.00 0.00 42.92 39.88 3lwt s ASP 152 CO 0.45 -0.97 2.00 -0.08 0.52 0.00 0.00 175.17 177.09 3lwt h GLU 153 N 8.49 0.00 -0.57 4.34 4.81 -1.92 -1.20 114.58 128.52 3lwt h GLU 153 Ca -0.22 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3lwt h GLU 153 Cb 1.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 3lwt h GLU 153 CO 1.04 0.12 0.38 0.00 -0.73 0.00 0.00 179.01 179.83 3lwt h ARG 154 N 0.00 0.69 -0.10 1.92 3.08 -1.91 -3.18 114.38 114.89 3lwt h ARG 154 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3lwt h ARG 154 Cb 0.47 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3lwt h ARG 154 CO 0.02 0.46 0.00 1.19 -1.07 0.00 0.00 179.97 180.57 3lwt n PHE 155 N -4.46 0.12 -2.55 3.04 3.72 -0.53 -1.29 117.46 115.52 3lwt n PHE 155 Ca 0.06 -0.21 -0.41 0.00 -0.05 0.00 0.00 57.45 56.85 3lwt n PHE 155 Cb 0.10 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 3lwt n PHE 155 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3lwt s PHE 156 N -0.77 2.44 0.29 1.38 2.19 -0.75 -4.35 117.98 118.41 3lwt s PHE 156 Ca 0.11 -0.55 0.02 0.00 0.33 0.00 0.00 56.93 56.84 3lwt s PHE 156 Cb 0.07 -4.67 0.46 0.00 -1.31 0.00 0.00 43.02 37.56 3lwt s PHE 156 CO 0.10 -1.99 1.78 2.35 1.83 0.00 0.00 175.22 179.29 3lwt h TRP 157 N 9.91 0.61 -0.50 10.12 7.01 -1.36 -2.39 115.95 139.34 3lwt h TRP 157 Ca 0.03 -0.10 -0.16 0.00 2.11 0.00 0.00 58.89 60.78 3lwt h TRP 157 Cb 1.02 -0.16 -0.09 0.00 -2.10 0.00 0.00 29.16 27.83 3lwt h TRP 157 CO 1.23 0.66 0.20 0.27 -2.79 0.00 0.00 178.44 178.01 3lwt n ASN 158 N -4.20 3.82 0.11 2.65 6.94 -1.26 -4.53 115.26 118.79 3lwt n ASN 158 Ca 0.01 -2.81 -0.13 0.00 -0.02 0.00 0.00 54.58 51.63 3lwt n ASN 158 Cb 0.33 -0.67 -0.06 0.00 -2.36 0.00 0.00 39.78 37.02 3lwt n ASN 158 CO 0.00 0.00 0.00 -0.74 -1.03 0.00 0.00 177.26 175.49 3lwt h HIS 159 N 1.69 -0.64 -0.70 -2.53 2.76 -1.80 -1.70 115.15 112.24 3lwt h HIS 159 Ca 0.19 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 3lwt h HIS 159 Cb 1.82 0.27 -0.03 0.00 1.55 0.00 0.00 27.41 31.02 3lwt h HIS 159 CO 0.87 -0.34 0.39 -0.92 -1.30 0.00 0.00 177.93 176.63 3lwt h TYR 160 N -0.44 0.93 0.00 5.26 3.20 -1.85 -2.22 116.97 121.85 3lwt h TYR 160 Ca 0.03 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3lwt h TYR 160 Cb 0.47 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3lwt h TYR 160 CO -0.22 0.64 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.86 3lwt h LEU 161 N 0.96 0.00 -2.52 2.82 3.38 -1.70 -2.88 115.31 115.36 3lwt h LEU 161 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3lwt h LEU 161 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3lwt h LEU 161 CO -0.04 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.84 3lwt n THR 162 N -3.11 0.92 -0.07 0.22 -2.24 -0.67 -0.45 114.28 108.88 3lwt n THR 162 Ca -0.01 -0.92 -0.07 0.00 -2.27 0.00 0.00 64.05 60.78 3lwt n THR 162 Cb 0.21 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 3lwt n THR 162 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3lwt h GLU 163 N 4.01 0.08 -0.86 -0.78 4.81 -1.53 0.16 114.58 120.46 3lwt h GLU 163 Ca 0.00 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3lwt h GLU 163 Cb 0.92 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.22 3lwt h GLU 163 CO 0.00 0.05 0.54 -0.44 -0.73 0.00 0.00 179.01 178.43 3lwt h ASP 164 N 0.08 0.87 -0.27 1.04 3.32 -1.86 -1.02 116.42 118.58 3lwt h ASP 164 Ca 0.13 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3lwt h ASP 164 Cb 0.17 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3lwt h ASP 164 CO -0.22 0.58 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.61 3lwt h LEU 165 N 1.02 0.64 -0.77 1.55 3.38 -1.77 -2.25 115.31 117.11 3lwt h LEU 165 Ca 0.36 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3lwt h LEU 165 Cb 0.10 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3lwt h LEU 165 CO -0.15 0.95 0.49 0.03 0.09 0.00 0.00 178.44 179.84 3lwt h ARG 166 N 0.34 1.03 -0.68 1.13 3.08 -0.48 0.74 114.38 119.53 3lwt h ARG 166 Ca 0.05 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3lwt h ARG 166 Cb 0.73 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 3lwt h ARG 166 CO 0.05 0.71 0.45 -0.91 -1.07 0.00 0.00 179.97 179.20 3lwt h ASN 167 N 1.05 0.78 -0.76 7.04 2.35 -1.10 -2.18 115.58 122.76 3lwt h ASN 167 Ca 0.28 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.95 3lwt h ASN 167 Cb -0.08 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 3lwt h ASN 167 CO -0.06 0.56 0.24 -0.26 -1.65 0.00 0.00 177.43 176.27 3lwt h PHE 168 N 0.92 1.21 0.00 1.19 0.04 -1.03 -3.17 116.94 116.10 3lwt h PHE 168 Ca 0.25 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 3lwt h PHE 168 Cb -0.10 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 37.70 3lwt h PHE 168 CO -0.03 0.95 -0.08 0.00 -0.60 0.00 0.00 178.31 178.55 3lwt h ALA 169 N 1.13 1.08 -0.89 2.45 0.00 -0.51 -1.10 119.26 121.43 3lwt h ALA 169 Ca 0.24 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3lwt h ALA 169 Cb 0.30 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3lwt h ALA 169 CO -0.01 0.10 0.57 0.45 0.00 0.00 0.00 179.25 180.37 3lwt h HIS 170 N 0.00 0.94 -0.22 0.00 3.86 -1.37 -2.78 115.15 115.58 3lwt h HIS 170 Ca -0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3lwt h HIS 170 Cb 0.44 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3lwt h HIS 170 CO 0.00 0.43 0.00 1.04 0.86 0.00 0.00 177.93 180.26 3lwt n GLN 171 N -4.53 2.86 -3.38 2.45 3.00 -0.92 -4.90 117.38 111.96 3lwt n GLN 171 Ca 0.15 -1.95 -0.18 0.00 -0.01 0.00 0.00 57.00 55.01 3lwt n GLN 171 Cb 0.31 -1.23 -0.09 0.00 0.00 0.00 0.00 30.24 29.23 3lwt n GLN 171 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3lwt s ASP 172 N -1.13 1.48 0.01 1.08 -1.08 -0.47 -5.02 116.67 111.54 3lwt s ASP 172 Ca 0.17 -1.49 0.09 0.00 -0.52 0.00 0.00 52.55 50.80 3lwt s ASP 172 Cb 0.10 0.44 0.37 0.00 -1.46 0.00 0.00 42.92 42.37 3lwt s ASP 172 CO 0.10 -0.29 1.28 -0.81 0.52 0.00 0.00 175.17 175.96 3lwt n PRO 173 N 4.43 0.00 0.23 4.34 -0.04 -1.25 -0.84 135.00 141.87 3lwt n PRO 173 Ca 0.09 0.36 0.06 0.00 -0.04 0.00 0.00 63.50 63.97 3lwt n PRO 173 Cb 0.44 -1.51 0.53 0.00 -0.04 0.00 0.00 33.50 32.92 3lwt n PRO 173 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3lwt h ARG 174 N 0.00 0.00 0.00 0.54 3.08 -1.95 -2.60 114.38 113.44 3lwt h ARG 174 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3lwt h ARG 174 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3lwt h ARG 174 CO 0.00 0.19 0.00 0.82 -1.07 0.00 0.00 179.97 179.91 3lwt h ILE 175 N 0.00 0.00 -0.72 2.04 1.08 -1.33 -2.69 117.51 115.89 3lwt h ILE 175 Ca -0.00 -0.32 0.17 0.00 -0.39 0.00 0.00 64.86 64.32 3lwt h ILE 175 Cb 0.36 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.24 3lwt h ILE 175 CO 0.03 0.00 0.49 0.44 -0.69 0.00 0.00 178.15 178.42 3lwt h ASP 176 N 0.00 0.20 0.21 1.72 3.32 -1.64 -0.69 116.42 119.53 3lwt h ASP 176 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3lwt h ASP 176 Cb 0.38 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3lwt h ASP 176 CO 0.00 0.10 0.00 0.28 -1.72 0.00 0.00 179.24 177.90 3lwt h SER 177 N 0.21 0.00 0.06 6.45 0.02 -1.68 -2.01 113.55 116.59 3lwt h SER 177 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3lwt h SER 177 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3lwt h SER 177 CO -0.07 0.00 -0.48 0.49 -1.14 0.00 0.00 176.83 175.63 3lwt n PHE 178 N -2.97 0.00 -3.66 3.45 3.72 -0.27 -4.17 117.46 113.56 3lwt n PHE 178 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 3lwt n PHE 178 Cb 0.11 -0.03 -0.11 0.00 -0.94 0.00 0.00 39.48 38.51 3lwt n PHE 178 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3lwt s ILE 179 N -2.55 4.02 -0.32 4.37 1.01 -0.76 -4.69 121.20 122.28 3lwt s ILE 179 Ca 0.18 -1.41 0.00 0.00 0.00 0.00 0.00 60.65 59.43 3lwt s ILE 179 Cb 0.18 -3.45 0.07 0.00 0.01 0.00 0.00 42.46 39.28 3lwt s ILE 179 CO 0.60 -0.45 0.02 -1.58 0.00 0.00 0.00 174.94 173.53 3lwt s GLN 180 N 1.39 2.12 0.29 2.79 2.00 -1.26 -4.54 119.66 122.44 3lwt s GLN 180 Ca 0.02 -1.51 -0.29 0.00 -2.00 0.00 0.00 55.36 51.58 3lwt s GLN 180 Cb -0.22 -3.20 -0.10 0.00 0.80 0.00 0.00 33.01 30.29 3lwt s GLN 180 CO 0.02 -0.76 1.42 -2.14 -0.50 0.00 0.00 175.29 173.33 3lwt s PRO 181 N 1.13 4.26 0.09 1.67 0.02 -1.26 -4.96 135.00 135.95 3lwt s PRO 181 Ca -0.00 2.33 0.09 0.00 0.02 0.00 0.00 61.00 63.44 3lwt s PRO 181 Cb -0.20 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 3lwt s PRO 181 CO -0.04 -0.39 -0.19 0.08 -0.33 0.00 0.00 177.00 176.13 3lwt s VAL 182 N -0.43 2.74 0.17 3.83 1.01 -1.26 -4.68 120.40 121.77 3lwt s VAL 182 Ca 0.56 -1.44 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3lwt s VAL 182 Cb -0.42 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3lwt s VAL 182 CO 0.49 0.18 0.15 0.27 0.00 0.00 0.00 175.10 176.18 3lwt s ILE 183 N -1.06 4.53 -0.04 2.22 -4.36 -0.27 -0.92 121.20 121.30 3lwt s ILE 183 Ca 0.16 -1.07 -0.23 0.00 -0.26 0.00 0.00 60.65 59.25 3lwt s ILE 183 Cb -0.10 -3.32 -0.25 0.00 1.25 0.00 0.00 42.46 40.04 3lwt s ILE 183 CO 0.08 -0.12 1.02 0.22 0.24 0.00 0.00 174.94 176.38 3lwt h TYR 184 N 2.36 0.37 0.00 1.37 3.20 -1.79 -0.82 116.97 121.66 3lwt h TYR 184 Ca -0.48 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.18 3lwt h TYR 184 Cb 1.20 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.43 3lwt h TYR 184 CO 0.58 1.04 0.00 0.41 -1.64 0.00 0.00 178.16 178.55 3lwt n GLY 185 N 1.16 0.47 3.52 1.82 0.00 -1.23 -3.80 105.19 107.13 3lwt n GLY 185 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 3lwt n GLY 185 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3lwt s TYR 186 N -0.28 -0.66 -0.27 1.61 5.04 -0.34 -4.69 117.35 117.78 3lwt s TYR 186 Ca 0.00 1.37 -0.08 0.00 -2.44 0.00 0.00 57.07 55.92 3lwt s TYR 186 Cb 0.00 0.31 0.12 0.00 0.35 0.00 0.00 41.96 42.74 3lwt s TYR 186 CO 0.00 -0.47 0.57 0.00 -1.34 0.00 0.00 175.55 174.31 3lwt s ALA 187 N -0.46 -1.78 -0.07 3.97 0.00 -1.26 -0.57 121.76 121.59 3lwt s ALA 187 Ca -0.06 2.03 -0.21 0.00 0.00 0.00 0.00 51.96 53.72 3lwt s ALA 187 Cb -0.03 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.47 3lwt s ALA 187 CO 0.05 -0.92 0.48 0.21 0.00 0.00 0.00 175.76 175.58 3lwt s LYS 188 N 2.80 0.77 0.23 0.00 2.20 -0.66 -4.60 119.74 120.48 3lwt s LYS 188 Ca -0.02 0.19 0.09 0.00 -0.36 0.00 0.00 55.97 55.87 3lwt s LYS 188 Cb -0.12 0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 36.51 3lwt s LYS 188 CO -0.17 -0.20 -0.16 0.95 -0.36 0.00 0.00 175.35 175.41 3lwt s THR 189 N -0.86 1.97 0.00 3.43 -4.23 -1.04 -1.25 115.64 113.67 3lwt s THR 189 Ca -0.09 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.15 3lwt s THR 189 Cb -0.03 -2.15 -0.00 0.00 1.34 0.00 0.00 72.50 71.66 3lwt s THR 189 CO 0.05 -0.52 -0.01 0.54 -0.54 0.00 0.00 174.62 174.14 3lwt s VAL 190 N -2.83 0.08 0.08 2.29 0.11 0.43 -4.75 120.40 115.83 3lwt s VAL 190 Ca 0.25 -0.13 -0.20 0.00 -2.93 0.00 0.00 61.98 58.98 3lwt s VAL 190 Cb -0.02 -0.09 -0.07 0.00 -1.53 0.00 0.00 36.38 34.67 3lwt s VAL 190 CO 0.10 -0.03 0.59 -1.81 -3.33 0.00 0.00 175.10 170.62 3lwt s ASP 191 N -0.16 7.10 0.26 3.54 1.01 -1.26 -1.38 116.67 125.78 3lwt s ASP 191 Ca -0.01 1.31 -0.00 0.00 0.71 0.00 0.00 52.55 54.55 3lwt s ASP 191 Cb -0.01 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.54 3lwt s ASP 191 CO -0.00 0.27 0.34 0.00 0.21 0.00 0.00 175.17 175.99 3lwt n ALA 192 N 1.70 -0.11 -2.95 5.23 0.00 -0.11 -4.99 120.51 119.28 3lwt n ALA 192 Ca -0.10 -1.27 -0.13 0.00 0.00 0.00 0.00 53.44 51.93 3lwt n ALA 192 Cb 0.50 1.03 -0.14 0.00 0.00 0.00 0.00 19.45 20.84 3lwt n ALA 192 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3lwt s VAL 193 N -2.78 0.10 -0.09 0.00 1.01 -1.26 -0.66 120.40 116.73 3lwt s VAL 193 Ca 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 3lwt s VAL 193 Cb -0.00 -0.11 0.04 0.00 0.00 0.00 0.00 36.38 36.31 3lwt s VAL 193 CO 0.17 0.04 0.06 -0.22 0.00 0.00 0.00 175.10 175.15 3lwt s LEU 194 N 0.10 0.32 -1.39 3.92 2.96 -0.33 -4.85 118.68 119.41 3lwt s LEU 194 Ca -0.01 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3lwt s LEU 194 Cb -0.02 -0.24 0.01 0.00 0.50 0.00 0.00 46.19 46.44 3lwt s LEU 194 CO -0.00 -0.27 0.55 0.59 -1.32 0.00 0.00 176.35 175.89 3lwt n ASN 195 N 5.26 -0.87 0.00 3.68 3.02 -1.26 -1.37 115.26 123.71 3lwt n ASN 195 Ca -0.05 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 3lwt n ASN 195 Cb 0.50 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 3lwt n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lwt n ALA 196 N -4.37 0.00 -2.59 5.41 0.00 -1.26 -4.96 120.51 112.74 3lwt n ALA 196 Ca -0.28 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 3lwt n ALA 196 Cb 0.67 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 3lwt n ALA 196 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3lwt s THR 197 N -1.06 5.02 0.27 0.00 2.01 -0.47 -5.06 115.64 116.35 3lwt s THR 197 Ca 0.00 0.61 -0.30 0.00 0.31 0.00 0.00 61.69 62.31 3lwt s THR 197 Cb 0.00 -3.92 -0.11 0.00 0.01 0.00 0.00 72.50 68.48 3lwt s THR 197 CO 0.00 -0.10 1.50 -2.84 -0.69 0.00 0.00 174.62 172.49 3lwt s PRO 198 N 2.41 4.21 0.13 4.92 0.02 -1.26 -1.19 135.00 144.23 3lwt s PRO 198 Ca 0.21 2.41 0.03 0.00 0.02 0.00 0.00 61.00 63.67 3lwt s PRO 198 Cb -0.15 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 3lwt s PRO 198 CO 0.12 -0.50 -0.08 0.96 -0.33 0.00 0.00 177.00 177.16 3lwt s ILE 199 N -0.01 0.98 -0.12 2.83 -4.36 0.17 -4.19 121.20 116.50 3lwt s ILE 199 Ca 0.61 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 3lwt s ILE 199 Cb -0.44 -1.81 0.01 0.00 1.25 0.00 0.00 42.46 41.47 3lwt s ILE 199 CO 0.45 -0.77 -0.17 -0.69 0.24 0.00 0.00 174.94 174.00 3lwt s VAL 200 N -3.45 1.68 -0.10 8.37 1.01 -0.65 -0.94 120.40 126.33 3lwt s VAL 200 Ca 0.15 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 3lwt s VAL 200 Cb 0.04 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 3lwt s VAL 200 CO -0.01 0.48 -0.04 -0.22 0.00 0.00 0.00 175.10 175.31 3lwt s LEU 201 N 0.97 3.30 0.13 3.92 2.96 -0.48 -1.11 118.68 128.38 3lwt s LEU 201 Ca -0.06 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 3lwt s LEU 201 Cb -0.15 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3lwt s LEU 201 CO -0.02 0.30 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.38 3lwt s GLY 202 N -0.45 1.01 -0.05 7.98 0.00 -0.07 -0.42 107.32 115.31 3lwt s GLY 202 Ca 0.07 -1.43 -0.03 0.00 0.00 0.00 0.00 44.72 43.32 3lwt s GLY 202 CO 0.02 -1.53 0.13 -2.27 0.00 0.00 0.00 173.10 169.45 3lwt s LEU 203 N -3.04 1.20 -0.02 0.66 2.96 -0.38 -0.97 118.68 119.08 3lwt s LEU 203 Ca 0.15 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 3lwt s LEU 203 Cb 0.02 0.37 0.01 0.00 0.50 0.00 0.00 46.19 47.09 3lwt s LEU 203 CO -0.00 -0.09 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.26 3lwt s ILE 204 N 0.54 0.49 -0.07 6.68 1.01 -0.67 -1.66 121.20 127.54 3lwt s ILE 204 Ca -0.04 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.46 3lwt s ILE 204 Cb -0.06 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.95 3lwt s ILE 204 CO -0.02 0.17 -0.20 -0.89 0.00 0.00 0.00 174.94 174.00 3lwt s THR 205 N 0.34 1.70 -0.04 2.92 2.01 0.26 -0.21 115.64 122.61 3lwt s THR 205 Ca -0.04 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.19 3lwt s THR 205 Cb -0.08 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 3lwt s THR 205 CO -0.00 0.48 -0.23 0.00 -0.69 0.00 0.00 174.62 174.18 3lwt s ARG 206 N 0.24 2.25 -0.01 4.92 1.70 -0.45 -1.19 118.95 126.41 3lwt s ARG 206 Ca -0.11 -0.84 0.05 0.00 -0.47 0.00 0.00 55.73 54.36 3lwt s ARG 206 Cb -0.15 -1.97 -0.03 0.00 -0.57 0.00 0.00 34.95 32.22 3lwt s ARG 206 CO 0.05 0.39 -0.14 1.03 -1.08 0.00 0.00 175.30 175.55 3lwt s ARG 207 N -0.23 2.35 0.24 3.89 0.52 -1.26 -1.48 118.95 122.98 3lwt s ARG 207 Ca -0.00 -0.81 -0.21 0.00 -0.52 0.00 0.00 55.73 54.19 3lwt s ARG 207 Cb -0.12 -2.33 -0.08 0.00 0.52 0.00 0.00 34.95 32.93 3lwt s ARG 207 CO 0.02 0.59 0.76 0.45 0.02 0.00 0.00 175.30 177.14 3lwt s SER 208 N -1.12 7.10 -0.37 0.23 0.15 0.17 -4.58 113.70 115.28 3lwt s SER 208 Ca 0.14 1.48 -0.07 0.00 0.70 0.00 0.00 55.95 58.20 3lwt s SER 208 Cb -0.11 -2.44 0.05 0.00 -1.71 0.00 0.00 66.02 61.81 3lwt s SER 208 CO 0.04 0.01 0.16 -0.63 1.20 0.00 0.00 173.24 174.02 3lwt s ILE 209 N -1.55 3.96 0.00 6.45 -1.09 -0.41 -4.66 121.20 123.91 3lwt s ILE 209 Ca 0.44 -1.24 0.04 0.00 -2.23 0.00 0.00 60.65 57.67 3lwt s ILE 209 Cb -0.17 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 3lwt s ILE 209 CO 0.21 -0.31 -0.12 0.72 -1.23 0.00 0.00 174.94 174.22 3lwt s PHE 210 N 1.41 2.75 0.00 3.97 -0.12 -1.26 -4.74 117.98 119.99 3lwt s PHE 210 Ca 0.01 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 56.76 3lwt s PHE 210 Cb -0.21 -1.57 0.00 0.00 -0.63 0.00 0.00 43.02 40.61 3lwt s PHE 210 CO 0.03 0.30 0.00 -2.13 -0.05 0.00 0.00 175.22 173.37 3lwt n ARG 211 N 1.70 0.00 -0.94 1.99 0.00 -1.26 -5.11 116.66 113.04 3lwt n ARG 211 Ca -0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.37 3lwt n ARG 211 Cb 0.52 0.00 0.14 0.00 0.00 0.00 0.00 32.46 33.13 3lwt n ARG 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3lwt s ALA 212 N -0.28 1.70 0.00 5.13 0.00 -1.26 -4.99 121.76 122.06 3lwt s ALA 212 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 3lwt s ALA 212 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3lwt s ALA 212 CO 0.00 -2.47 0.00 0.41 0.00 0.00 0.00 175.76 173.70 3lwt n GLY 213 N 0.28 4.21 0.06 0.00 0.00 -1.26 -4.97 105.19 103.52 3lwt n GLY 213 Ca 0.13 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.89 3lwt n GLY 213 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3lwt n THR 214 N -1.36 0.79 -3.94 2.61 5.66 -1.26 -4.78 114.28 112.00 3lwt n THR 214 Ca 0.00 0.17 -0.09 0.00 -3.05 0.00 0.00 64.05 61.07 3lwt n THR 214 Cb 0.00 -0.98 -0.07 0.00 -1.55 0.00 0.00 70.33 67.73 3lwt n THR 214 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3lwt s ARG 215 N -3.14 1.06 0.32 1.09 1.70 -1.26 -5.21 118.95 113.52 3lwt s ARG 215 Ca 0.07 -1.13 0.06 0.00 -0.47 0.00 0.00 55.73 54.26 3lwt s ARG 215 Cb 0.11 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.83 3lwt s ARG 215 CO 0.37 -0.37 0.31 0.66 -1.08 0.00 0.00 175.30 175.19 3lwt n TYR 216 N -0.17 -0.89 0.00 5.89 4.01 -1.26 -5.06 117.16 119.67 3lwt n TYR 216 Ca -0.09 -2.60 0.00 0.00 -0.16 0.00 0.00 57.90 55.04 3lwt n TYR 216 Cb 0.63 0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 3lwt n TYR 216 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3lwt n PHE 217 N -0.60 0.00 -0.06 -0.72 7.35 -1.26 -5.08 117.46 117.09 3lwt n PHE 217 Ca 0.06 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.65 3lwt n PHE 217 Cb 0.58 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.34 3lwt n PHE 217 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 3lwt h ARG 218 N 0.00 -0.31 -6.57 -4.13 9.65 -1.97 -3.43 114.38 107.61 3lwt h ARG 218 Ca 0.00 0.02 -0.53 0.00 -1.10 0.00 0.00 59.98 58.37 3lwt h ARG 218 Cb 0.00 0.07 0.02 0.00 -1.39 0.00 0.00 29.97 28.67 3lwt h ARG 218 CO 0.00 -0.21 0.68 1.03 2.80 0.00 0.00 179.97 184.27 3lwt s ARG 219 N -4.83 4.36 0.15 0.20 0.52 -1.26 -4.08 118.95 114.01 3lwt s ARG 219 Ca -0.10 2.02 0.00 0.00 -0.52 0.00 0.00 55.73 57.13 3lwt s ARG 219 Cb 0.05 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.27 3lwt s ARG 219 CO 0.42 -0.36 0.00 0.41 0.02 0.00 0.00 175.30 175.79 3lwt n GLY 220 N 3.16 -2.36 3.66 -3.53 0.00 -1.26 -4.42 105.19 100.43 3lwt n GLY 220 Ca 0.10 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 3lwt n GLY 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lwt s VAL 221 N -0.27 4.12 1.14 1.61 0.11 -0.04 -4.25 120.40 122.81 3lwt s VAL 221 Ca 0.00 -0.37 -0.19 0.00 -2.93 0.00 0.00 61.98 58.49 3lwt s VAL 221 Cb 0.00 -2.74 0.28 0.00 -1.53 0.00 0.00 36.38 32.39 3lwt s VAL 221 CO 0.00 0.56 1.13 -0.90 -3.33 0.00 0.00 175.10 172.57 3lwt n ASP 222 N 2.03 -1.47 0.02 3.54 5.68 0.48 -1.63 116.55 125.20 3lwt n ASP 222 Ca -0.18 -1.24 -0.00 0.00 -0.50 0.00 0.00 54.79 52.87 3lwt n ASP 222 Cb 0.53 -0.99 0.29 0.00 -1.14 0.00 0.00 41.12 39.82 3lwt n ASP 222 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3lwt h LYS 223 N 0.00 0.47 0.00 0.11 1.57 -1.95 -2.58 116.57 114.18 3lwt h LYS 223 Ca -0.41 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3lwt h LYS 223 Cb 1.21 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3lwt h LYS 223 CO 0.27 0.55 0.00 -0.25 -0.57 0.00 0.00 179.45 179.46 3lwt n ASP 224 N -4.25 0.00 0.00 0.86 9.92 -1.26 -4.76 116.55 117.06 3lwt n ASP 224 Ca 0.01 -0.97 0.00 0.00 -0.53 0.00 0.00 54.79 53.30 3lwt n ASP 224 Cb 0.28 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 3lwt n ASP 224 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3lwt n GLY 225 N 0.40 0.54 3.78 0.44 0.00 -0.97 -4.78 105.19 104.60 3lwt n GLY 225 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3lwt n GLY 225 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3lwt s ASN 226 N -2.04 7.27 -0.01 1.61 0.01 -1.26 -4.09 114.94 116.43 3lwt s ASN 226 Ca 0.00 1.51 0.22 0.00 -0.71 0.00 0.00 52.86 53.88 3lwt s ASN 226 Cb 0.00 -2.46 -0.29 0.00 0.41 0.00 0.00 41.25 38.91 3lwt s ASN 226 CO 0.00 0.19 0.53 1.33 -1.51 0.00 0.00 177.10 177.64 3lwt n VAL 227 N 1.88 0.16 0.00 1.60 0.24 -1.26 -0.39 118.33 120.55 3lwt n VAL 227 Ca -0.06 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3lwt n VAL 227 Cb 0.49 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 3lwt n VAL 227 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lwt n GLY 228 N 1.28 2.01 3.54 7.63 0.00 -1.26 -4.30 105.19 114.09 3lwt n GLY 228 Ca -0.05 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3lwt n GLY 228 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3lwt s ASN 229 N 0.00 6.32 -0.28 1.61 2.47 -1.26 -4.33 114.94 119.48 3lwt s ASN 229 Ca 0.00 -0.12 -0.19 0.00 0.42 0.00 0.00 52.86 52.96 3lwt s ASN 229 Cb 0.00 -2.28 0.09 0.00 -1.45 0.00 0.00 41.25 37.61 3lwt s ASN 229 CO 0.00 -0.56 0.75 0.12 -3.72 0.00 0.00 177.10 173.69 3lwt s PHE 230 N 2.48 -0.90 0.03 0.43 5.36 -1.26 -1.16 117.98 122.97 3lwt s PHE 230 Ca 0.19 1.91 0.05 0.00 -0.96 0.00 0.00 56.93 58.12 3lwt s PHE 230 Cb -0.15 0.48 -0.02 0.00 -0.34 0.00 0.00 43.02 42.99 3lwt s PHE 230 CO 0.15 -0.44 -0.14 -0.80 -1.46 0.00 0.00 175.22 172.53 3lwt s ASN 231 N 1.13 1.64 -0.04 6.13 0.01 0.29 0.42 114.94 124.52 3lwt s ASN 231 Ca -0.06 -0.43 0.03 0.00 -0.71 0.00 0.00 52.86 51.68 3lwt s ASN 231 Cb -0.05 -0.11 -0.03 0.00 0.41 0.00 0.00 41.25 41.47 3lwt s ASN 231 CO -0.12 0.04 -0.10 -1.61 -1.51 0.00 0.00 177.10 173.80 3lwt s GLU 232 N -1.05 2.57 -0.10 -0.60 2.02 -0.55 -1.41 118.70 119.58 3lwt s GLU 232 Ca 0.02 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.37 3lwt s GLU 232 Cb -0.08 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.69 3lwt s GLU 232 CO 0.01 0.63 -0.22 0.99 0.02 0.00 0.00 175.26 176.69 3lwt s THR 233 N -0.84 1.92 -0.08 3.63 2.01 0.02 -1.34 115.64 120.96 3lwt s THR 233 Ca 0.13 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.21 3lwt s THR 233 Cb -0.11 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.75 3lwt s THR 233 CO 0.03 0.53 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.71 3lwt s GLU 234 N 0.50 1.37 -0.22 4.92 2.12 0.70 -0.78 118.70 127.31 3lwt s GLU 234 Ca -0.16 -0.24 -0.10 0.00 0.36 0.00 0.00 54.97 54.83 3lwt s GLU 234 Cb -0.17 -1.34 -0.05 0.00 0.26 0.00 0.00 34.13 32.83 3lwt s GLU 234 CO 0.06 -0.15 0.14 -1.14 -0.54 0.00 0.00 175.26 173.63 3lwt s GLN 235 N 1.27 4.13 0.11 4.30 2.00 0.09 -1.66 119.66 129.91 3lwt s GLN 235 Ca -0.04 -0.25 0.10 0.00 -2.00 0.00 0.00 55.36 53.18 3lwt s GLN 235 Cb -0.14 -3.47 -0.04 0.00 0.80 0.00 0.00 33.01 30.17 3lwt s GLN 235 CO -0.03 0.19 -0.26 0.96 -0.50 0.00 0.00 175.29 175.65 3lwt s ILE 236 N 0.67 2.18 -0.02 -2.34 -4.36 -0.15 -0.67 121.20 116.52 3lwt s ILE 236 Ca 0.08 -1.67 -0.02 0.00 -0.26 0.00 0.00 60.65 58.78 3lwt s ILE 236 Cb -0.12 -1.92 0.01 0.00 1.25 0.00 0.00 42.46 41.67 3lwt s ILE 236 CO 0.01 0.13 0.06 -0.22 0.24 0.00 0.00 174.94 175.15 3lwt s LEU 237 N -1.89 1.79 -0.08 0.37 2.96 -0.57 -0.89 118.68 120.38 3lwt s LEU 237 Ca 0.13 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 3lwt s LEU 237 Cb -0.10 0.19 0.01 0.00 0.50 0.00 0.00 46.19 46.79 3lwt s LEU 237 CO 0.05 -0.02 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.66 3lwt s LEU 238 N 0.01 1.85 -0.00 -0.68 0.20 -0.27 -0.51 118.68 119.26 3lwt s LEU 238 Ca -0.00 -0.41 -0.14 0.00 0.69 0.00 0.00 54.13 54.27 3lwt s LEU 238 Cb -0.01 -1.07 0.02 0.00 -0.43 0.00 0.00 46.19 44.71 3lwt s LEU 238 CO 0.00 0.10 0.30 0.00 -0.29 0.00 0.00 176.35 176.46 3lwt s ALA 239 N 0.47 -0.75 0.19 5.97 0.00 -0.36 -1.64 121.76 125.64 3lwt s ALA 239 Ca -0.15 0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.82 3lwt s ALA 239 Cb -0.16 0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.99 3lwt s ALA 239 CO 0.06 -0.28 0.79 -1.21 0.00 0.00 0.00 175.76 175.11 3lwt s GLU 240 N -1.51 4.54 0.01 0.00 8.01 -1.26 -0.06 118.70 128.43 3lwt s GLU 240 Ca -0.12 1.15 -0.30 0.00 0.01 0.00 0.00 54.97 55.70 3lwt s GLU 240 Cb -0.05 -3.19 -0.06 0.00 -4.31 0.00 0.00 34.13 26.53 3lwt s GLU 240 CO 0.03 0.53 1.39 1.21 0.01 0.00 0.00 175.26 178.44 3lwt s ASN 241 N -1.24 6.85 0.10 -0.19 3.84 -0.18 -4.89 114.94 119.23 3lwt s ASN 241 Ca 0.38 2.13 -0.33 0.00 0.21 0.00 0.00 52.86 55.24 3lwt s ASN 241 Cb -0.22 -2.56 -0.14 0.00 -0.55 0.00 0.00 41.25 37.78 3lwt s ASN 241 CO 0.26 -0.71 1.53 -0.65 -2.79 0.00 0.00 177.10 174.73 3lwt h PRO 242 N 7.73 -0.67 -5.57 0.43 0.11 -1.85 -2.21 132.00 129.97 3lwt h PRO 242 Ca -0.38 0.05 -0.61 0.00 0.11 0.00 0.00 66.00 65.16 3lwt h PRO 242 Cb 1.18 0.15 -0.09 0.00 0.11 0.00 0.00 31.00 32.35 3lwt h PRO 242 CO 0.90 -0.44 -0.36 -1.83 -0.21 0.00 0.00 178.00 176.06 3lwt s GLU 243 N -5.61 4.04 0.00 1.05 4.04 -1.26 -4.08 118.70 116.88 3lwt s GLU 243 Ca -0.15 0.06 0.00 0.00 0.04 0.00 0.00 54.97 54.92 3lwt s GLU 243 Cb 0.06 -3.35 0.00 0.00 0.02 0.00 0.00 34.13 30.86 3lwt s GLU 243 CO 0.58 0.42 0.00 -1.13 -1.84 0.00 0.00 175.26 173.28 3lwt n SER 244 N 3.00 0.00 -1.26 0.83 3.41 -1.26 -4.81 113.62 113.53 3lwt n SER 244 Ca -0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.32 3lwt n SER 244 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 3lwt n SER 244 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3lwt n GLU 245 N 0.00 -1.47 -2.12 4.33 1.02 -0.83 -4.98 120.64 116.59 3lwt n GLU 245 Ca 0.00 0.92 -0.40 0.00 -0.02 0.00 0.00 57.16 57.65 3lwt n GLU 245 Cb 0.00 -5.20 -0.02 0.00 -0.02 0.00 0.00 31.44 26.20 3lwt n GLU 245 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3lwt s LYS 246 N -3.16 4.25 -0.29 3.49 1.02 -1.26 -4.76 119.74 119.03 3lwt s LYS 246 Ca 0.00 2.18 -0.16 0.00 0.02 0.00 0.00 55.97 58.01 3lwt s LYS 246 Cb 0.00 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 3lwt s LYS 246 CO 0.00 -0.26 0.41 0.42 -0.92 0.00 0.00 175.35 175.01 3lwt s ILE 247 N -1.18 5.13 -0.08 2.17 1.09 -1.25 -1.02 121.20 126.06 3lwt s ILE 247 Ca 0.51 0.53 -0.02 0.00 -1.10 0.00 0.00 60.65 60.57 3lwt s ILE 247 Cb -0.39 -3.77 -0.03 0.00 -1.06 0.00 0.00 42.46 37.21 3lwt s ILE 247 CO 0.51 0.06 0.03 -1.00 -0.10 0.00 0.00 174.94 174.45 3lwt s HIS 248 N 2.15 3.24 -0.05 3.97 3.76 0.92 -1.08 115.29 128.21 3lwt s HIS 248 Ca 0.16 0.25 0.03 0.00 -0.15 0.00 0.00 55.06 55.35 3lwt s HIS 248 Cb -0.16 -1.80 0.01 0.00 1.11 0.00 0.00 32.58 31.74 3lwt s HIS 248 CO 0.10 0.52 -0.13 0.08 -0.85 0.00 0.00 174.74 174.47 3lwt s VAL 249 N -0.95 1.12 0.04 -0.90 1.01 0.23 -1.22 120.40 119.74 3lwt s VAL 249 Ca 0.15 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.68 3lwt s VAL 249 Cb -0.12 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3lwt s VAL 249 CO 0.04 0.34 -0.16 -0.36 0.00 0.00 0.00 175.10 174.96 3lwt s PHE 250 N 0.39 1.42 -0.01 5.22 0.08 0.33 -0.58 117.98 124.83 3lwt s PHE 250 Ca -0.09 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 3lwt s PHE 250 Cb -0.13 -0.84 -0.00 0.00 -0.57 0.00 0.00 43.02 41.48 3lwt s PHE 250 CO 0.03 0.06 0.02 0.45 -0.10 0.00 0.00 175.22 175.67 3lwt s SER 251 N -1.21 0.01 -0.07 1.36 0.15 -0.30 -1.51 113.70 112.13 3lwt s SER 251 Ca 0.03 -0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.64 3lwt s SER 251 Cb -0.08 0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.31 3lwt s SER 251 CO 0.02 -0.05 0.03 0.12 1.20 0.00 0.00 173.24 174.55 3lwt s PHE 252 N -0.18 0.48 0.00 3.44 5.36 0.15 -1.01 117.98 126.22 3lwt s PHE 252 Ca -0.02 -0.08 0.03 0.00 -0.96 0.00 0.00 56.93 55.90 3lwt s PHE 252 Cb -0.01 -0.71 -0.03 0.00 -0.34 0.00 0.00 43.02 41.92 3lwt s PHE 252 CO -0.00 -0.31 -0.04 -1.17 -1.46 0.00 0.00 175.22 172.24 3lwt s LEU 253 N 2.03 3.29 0.10 6.12 2.96 -1.26 -0.73 118.68 131.20 3lwt s LEU 253 Ca 0.05 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3lwt s LEU 253 Cb -0.13 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3lwt s LEU 253 CO -0.05 0.28 -0.04 -1.10 -1.32 0.00 0.00 176.35 174.13 3lwt s GLN 254 N -1.47 0.83 0.16 1.98 -0.21 0.04 -4.60 119.66 116.39 3lwt s GLN 254 Ca 0.18 -1.35 0.07 0.00 0.02 0.00 0.00 55.36 54.28 3lwt s GLN 254 Cb -0.11 -0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.77 3lwt s GLN 254 CO 0.08 -0.07 -0.14 0.95 -2.12 0.00 0.00 175.29 173.99 3lwt s THR 255 N -3.73 1.49 -0.16 -0.19 -4.23 -1.01 -0.80 115.64 107.02 3lwt s THR 255 Ca 0.13 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 3lwt s THR 255 Cb 0.06 -1.82 0.06 0.00 1.34 0.00 0.00 72.50 72.14 3lwt s THR 255 CO -0.04 -0.54 0.38 -0.60 -0.54 0.00 0.00 174.62 173.28 3lwt s ARG 256 N -3.27 0.35 0.26 3.99 3.52 -0.50 -1.40 118.95 121.90 3lwt s ARG 256 Ca 0.16 0.77 -0.21 0.00 -0.13 0.00 0.00 55.73 56.32 3lwt s ARG 256 Cb -0.02 -0.01 0.05 0.00 -1.56 0.00 0.00 34.95 33.41 3lwt s ARG 256 CO 0.04 -0.17 0.86 0.20 -0.81 0.00 0.00 175.30 175.42 3lwt s GLY 257 N 1.51 0.02 0.62 8.12 0.00 -0.67 -0.55 107.32 116.38 3lwt s GLY 257 Ca -0.09 -0.31 -0.18 0.00 0.00 0.00 0.00 44.72 44.14 3lwt s GLY 257 CO -0.12 0.30 1.09 1.44 0.00 0.00 0.00 173.10 175.82 3lwt n SER 258 N -0.84 1.29 -4.67 1.64 7.64 -0.31 -1.67 113.62 116.70 3lwt n SER 258 Ca -0.06 0.81 -0.42 0.00 1.01 0.00 0.00 58.87 60.22 3lwt n SER 258 Cb 0.60 -1.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.31 3lwt n SER 258 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3lwt s VAL 259 N -1.46 2.99 -1.48 0.44 1.01 -1.26 -4.83 120.40 115.81 3lwt s VAL 259 Ca 0.78 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.84 3lwt s VAL 259 Cb -0.40 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3lwt s VAL 259 CO 0.44 -0.01 2.51 -0.81 0.00 0.00 0.00 175.10 177.23 3lwt n PRO 260 N 6.76 3.11 -4.25 2.72 -0.04 -1.26 -4.13 135.00 137.90 3lwt n PRO 260 Ca 0.18 -2.37 -0.34 0.00 -0.04 0.00 0.00 63.50 60.94 3lwt n PRO 260 Cb 0.41 -3.05 -0.08 0.00 -0.04 0.00 0.00 33.50 30.73 3lwt n PRO 260 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3lwt s ILE 261 N 2.88 4.40 0.00 0.52 -1.09 -1.26 -4.13 121.20 122.52 3lwt s ILE 261 Ca 0.56 -0.41 -0.37 0.00 -2.23 0.00 0.00 60.65 58.21 3lwt s ILE 261 Cb 0.15 -2.94 -0.16 0.00 -1.58 0.00 0.00 42.46 37.94 3lwt s ILE 261 CO -0.07 0.45 1.52 0.00 -1.23 0.00 0.00 174.94 175.62 3lwt n TYR 262 N 1.61 1.84 0.11 3.97 9.36 -1.26 -0.86 117.16 131.93 3lwt n TYR 262 Ca -0.16 0.49 0.04 0.00 3.32 0.00 0.00 57.90 61.60 3lwt n TYR 262 Cb 0.53 -2.43 0.22 0.00 -0.63 0.00 0.00 39.34 37.04 3lwt n TYR 262 CO 0.00 0.00 0.00 -2.67 0.22 0.00 0.00 176.86 174.41 3lwt n TRP 263 N 3.67 0.28 -1.55 2.98 4.27 -0.65 -4.37 117.44 122.06 3lwt n TRP 263 Ca 0.20 0.15 -0.18 0.00 -3.89 0.00 0.00 57.50 53.78 3lwt n TRP 263 Cb 0.20 -0.51 -0.07 0.00 -1.36 0.00 0.00 31.31 29.58 3lwt n TRP 263 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3lwt n ALA 264 N -1.45 0.45 -3.72 -1.67 0.00 -1.26 -4.93 120.51 107.93 3lwt n ALA 264 Ca -0.01 -1.28 -0.22 0.00 0.00 0.00 0.00 53.44 51.94 3lwt n ALA 264 Cb 0.32 -3.23 -0.17 0.00 0.00 0.00 0.00 19.45 16.37 3lwt n ALA 264 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3lwt s GLU 265 N 8.73 0.74 -1.19 0.00 2.02 -1.26 -4.88 118.70 122.87 3lwt s GLU 265 Ca 0.96 0.00 -0.22 0.00 0.02 0.00 0.00 54.97 55.73 3lwt s GLU 265 Cb -0.18 -0.94 -0.06 0.00 0.10 0.00 0.00 34.13 33.04 3lwt s GLU 265 CO 0.14 -0.21 1.90 -0.89 0.02 0.00 0.00 175.26 176.22 3lwt n ILE 266 N 4.67 2.27 0.03 -1.63 -0.00 -1.26 -4.82 119.36 118.63 3lwt n ILE 266 Ca -0.15 -2.35 0.00 0.00 -0.00 0.00 0.00 62.75 60.25 3lwt n ILE 266 Cb 0.50 -2.21 0.00 0.00 -0.00 0.00 0.00 39.64 37.93 3lwt n ILE 266 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 3lwt n ASN 267 N 13.03 4.19 -4.87 4.38 5.15 -1.26 -4.87 115.26 131.02 3lwt n ASN 267 Ca 0.46 -2.15 -0.29 0.00 -0.60 0.00 0.00 54.58 52.00 3lwt n ASN 267 Cb 0.46 -0.84 0.10 0.00 -0.53 0.00 0.00 39.78 38.97 3lwt n ASN 267 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3lwt s ASN 268 N 1.65 4.30 0.00 1.20 0.02 -1.26 -5.07 114.94 115.78 3lwt s ASN 268 Ca 0.00 0.87 0.00 0.00 -1.02 0.00 0.00 52.86 52.71 3lwt s ASN 268 Cb 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 41.25 39.86 3lwt s ASN 268 CO 0.00 -2.05 0.05 -0.11 0.02 0.00 0.00 177.10 175.02 3lwt n LEU 269 N -3.42 1.85 -4.76 0.60 0.00 -1.26 -4.88 117.00 105.12 3lwt n LEU 269 Ca 0.07 0.05 -0.39 0.00 0.00 0.00 0.00 56.01 55.75 3lwt n LEU 269 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.97 3lwt n LEU 269 CO 0.57 0.00 0.39 -0.75 0.00 0.00 0.00 177.39 177.60 3lwt s LYS 270 N -0.11 4.41 0.00 1.96 2.47 -1.26 -4.77 119.74 122.45 3lwt s LYS 270 Ca 0.00 0.93 0.00 0.00 -1.56 0.00 0.00 55.97 55.34 3lwt s LYS 270 Cb 0.00 -3.33 0.00 0.00 -1.46 0.00 0.00 37.83 33.04 3lwt s LYS 270 CO 0.00 0.39 0.00 0.98 0.16 0.00 0.00 175.35 176.88 3lwt n TYR 271 N 2.48 0.00 -2.45 4.03 9.36 -1.26 -5.01 117.16 124.30 3lwt n TYR 271 Ca -0.05 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.74 3lwt n TYR 271 Cb 0.50 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.19 3lwt n TYR 271 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 3lwt s LYS 272 N 2.97 3.53 -0.14 2.98 -2.85 -1.26 -5.01 119.74 119.96 3lwt s LYS 272 Ca 0.00 0.64 -0.24 0.00 -1.00 0.00 0.00 55.97 55.37 3lwt s LYS 272 Cb 0.00 -4.02 -0.02 0.00 -2.06 0.00 0.00 37.83 31.73 3lwt s LYS 272 CO 0.00 -1.63 0.75 -1.25 0.10 0.00 0.00 175.35 173.32 3lwt s PRO 273 N 4.96 4.32 -0.08 1.78 0.04 -1.26 -5.07 135.00 139.69 3lwt s PRO 273 Ca 0.53 0.89 -0.02 0.00 0.04 0.00 0.00 61.00 62.44 3lwt s PRO 273 Cb -0.10 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 3lwt s PRO 273 CO 0.30 -0.19 -0.01 0.54 0.04 0.00 0.00 177.00 177.68 3lwt s ASN 274 N 1.06 5.17 0.47 6.66 2.20 -1.26 -4.60 114.94 124.64 3lwt s ASN 274 Ca 0.36 0.12 -0.23 0.00 -0.94 0.00 0.00 52.86 52.18 3lwt s ASN 274 Cb -0.17 -1.45 -0.07 0.00 -2.00 0.00 0.00 41.25 37.57 3lwt s ASN 274 CO 0.14 0.37 1.18 -0.76 -2.94 0.00 0.00 177.10 175.09 3lwt s LEU 275 N -0.86 3.98 -0.34 3.54 2.01 -1.26 -4.99 118.68 120.77 3lwt s LEU 275 Ca 0.13 2.34 -0.15 0.00 0.01 0.00 0.00 54.13 56.46 3lwt s LEU 275 Cb -0.11 -4.26 -0.01 0.00 0.01 0.00 0.00 46.19 41.81 3lwt s LEU 275 CO 0.02 -0.99 0.34 0.68 1.01 0.00 0.00 176.35 177.41 3lwt s VAL 276 N -1.53 5.19 -0.88 -1.59 -7.23 -1.26 -5.02 120.40 108.07 3lwt s VAL 276 Ca 0.65 0.03 -0.00 0.00 -1.81 0.00 0.00 61.98 60.84 3lwt s VAL 276 Cb -0.29 -3.80 0.25 0.00 0.56 0.00 0.00 36.38 33.10 3lwt s VAL 276 CO 0.35 -0.06 0.96 0.18 -0.31 0.00 0.00 175.10 176.22 3lwt n LEU 277 N 5.33 4.67 0.00 1.32 4.32 -1.26 -4.87 117.00 126.52 3lwt n LEU 277 Ca -0.10 -5.23 0.00 0.00 -0.02 0.00 0.00 56.01 50.66 3lwt n LEU 277 Cb 0.49 -1.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.26 3lwt n LEU 277 CO 0.39 1.72 0.00 0.61 -1.22 0.00 0.00 177.39 178.89 3lwt n GLY 278 N 1.69 -1.56 0.21 -0.72 0.00 -1.26 -4.64 105.19 98.91 3lwt n GLY 278 Ca 0.25 -1.11 0.15 0.00 0.00 0.00 0.00 46.02 45.31 3lwt n GLY 278 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3lwt h GLU 279 N 0.00 0.00 -0.02 1.61 4.81 -2.01 -3.29 114.58 115.68 3lwt h GLU 279 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3lwt h GLU 279 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3lwt h GLU 279 CO 0.00 0.00 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.33 3lwt h ASN 280 N 0.00 0.08 -0.14 1.04 2.35 -1.95 -0.10 115.58 116.86 3lwt h ASN 280 Ca 0.00 -0.54 -0.09 0.00 -0.55 0.00 0.00 56.30 55.11 3lwt h ASN 280 Cb 0.25 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3lwt h ASN 280 CO 0.00 0.61 -0.21 0.28 -1.65 0.00 0.00 177.43 176.46 3lwt h SER 281 N -0.45 0.57 -0.20 5.81 0.02 -1.82 0.50 113.55 117.98 3lwt h SER 281 Ca 0.00 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3lwt h SER 281 Cb 0.59 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3lwt h SER 281 CO 0.01 0.78 0.04 -0.07 -1.14 0.00 0.00 176.83 176.45 3lwt h LEU 282 N 0.51 0.30 -0.34 5.07 3.38 -1.69 -2.71 115.31 119.84 3lwt h LEU 282 Ca 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3lwt h LEU 282 Cb 0.64 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3lwt h LEU 282 CO 0.05 0.46 0.12 -0.78 0.09 0.00 0.00 178.44 178.39 3lwt h ASP 283 N 0.13 0.47 -0.04 -0.43 3.58 -0.33 -0.89 116.42 118.92 3lwt h ASP 283 Ca 0.06 -0.18 -0.23 0.00 0.42 0.00 0.00 57.03 57.11 3lwt h ASP 283 Cb 0.28 -0.12 0.02 0.00 1.72 0.00 0.00 39.33 41.23 3lwt h ASP 283 CO 0.00 0.52 -0.86 0.00 -2.88 0.00 0.00 179.24 176.03 3lwt h ALA 284 N 0.97 0.15 -0.52 -0.78 0.00 -0.14 -2.10 119.26 116.83 3lwt h ALA 284 Ca 0.11 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.40 3lwt h ALA 284 Cb 0.21 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3lwt h ALA 284 CO -0.01 0.59 0.33 1.15 0.00 0.00 0.00 179.25 181.31 3lwt h THR 285 N 0.29 1.10 -0.27 0.00 2.02 -1.52 0.92 112.91 115.45 3lwt h THR 285 Ca -0.10 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 66.87 3lwt h THR 285 Cb 1.52 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 3lwt h THR 285 CO 0.17 0.12 0.13 0.50 0.37 0.00 0.00 175.52 176.81 3lwt h LYS 286 N 0.67 0.26 -0.43 6.66 1.63 -1.12 0.12 116.57 124.36 3lwt h LYS 286 Ca 0.20 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.91 3lwt h LYS 286 Cb -0.04 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 3lwt h LYS 286 CO -0.06 0.17 -0.03 -0.22 -3.45 0.00 0.00 179.45 175.86 3lwt h LYS 287 N 0.27 0.71 -0.14 1.90 1.63 -1.10 0.83 116.57 120.68 3lwt h LYS 287 Ca 0.12 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 3lwt h LYS 287 Cb 0.05 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3lwt h LYS 287 CO -0.09 0.74 0.00 1.25 -3.45 0.00 0.00 179.45 177.91 3lwt h HIS 288 N 0.66 0.27 -0.04 1.91 2.76 -0.28 -2.62 115.15 117.82 3lwt h HIS 288 Ca 0.13 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 3lwt h HIS 288 Cb 0.45 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 3lwt h HIS 288 CO 0.02 0.47 -0.37 0.74 -1.30 0.00 0.00 177.93 177.49 3lwt h PHE 289 N -0.01 0.08 -0.38 5.26 0.04 -0.40 -0.65 116.94 120.87 3lwt h PHE 289 Ca 0.04 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.82 3lwt h PHE 289 Cb 0.36 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 3lwt h PHE 289 CO 0.03 0.43 0.20 -0.44 -0.60 0.00 0.00 178.31 177.93 3lwt h ASP 290 N 0.06 0.30 -0.39 2.17 3.32 -0.82 0.11 116.42 121.17 3lwt h ASP 290 Ca 0.01 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3lwt h ASP 290 Cb 0.68 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3lwt h ASP 290 CO 0.05 0.22 0.15 -0.61 -1.72 0.00 0.00 179.24 177.32 3lwt h GLN 291 N 0.41 0.60 -0.62 3.56 4.15 -1.06 -2.13 115.11 120.02 3lwt h GLN 291 Ca 0.16 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 3lwt h GLN 291 Cb 0.05 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3lwt h GLN 291 CO -0.10 0.58 0.22 1.96 -1.93 0.00 0.00 178.83 179.55 3lwt h GLN 292 N 0.49 0.92 -0.24 1.69 1.08 -0.88 -1.12 115.11 117.04 3lwt h GLN 292 Ca 0.13 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3lwt h GLN 292 Cb 0.21 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3lwt h GLN 292 CO -0.01 0.77 0.07 0.87 -0.95 0.00 0.00 178.83 179.59 3lwt h LYS 293 N 0.90 0.38 -0.74 1.46 1.57 -0.70 0.05 116.57 119.49 3lwt h LYS 293 Ca 0.21 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3lwt h LYS 293 Cb 0.22 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3lwt h LYS 293 CO -0.01 0.46 0.49 1.49 -0.57 0.00 0.00 179.45 181.31 3lwt h GLU 294 N 0.22 0.93 -0.12 3.15 4.81 -1.06 0.53 114.58 123.04 3lwt h GLU 294 Ca 0.08 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 3lwt h GLU 294 Cb 0.24 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.42 3lwt h GLU 294 CO -0.00 0.62 -0.62 -0.07 -0.73 0.00 0.00 179.01 178.21 3lwt h LEU 295 N 0.96 0.75 0.00 1.64 3.38 -1.07 -3.41 115.31 117.56 3lwt h LEU 295 Ca 0.28 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3lwt h LEU 295 Cb -0.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3lwt h LEU 295 CO -0.07 1.27 -0.03 -1.22 0.09 0.00 0.00 178.44 178.48 3lwt n TYR 296 N -4.11 0.00 -1.13 1.13 4.01 -0.01 -5.07 117.16 111.97 3lwt n TYR 296 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3lwt n TYR 296 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 3lwt n TYR 296 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lwt n GLY 297 N 0.65 0.75 3.77 2.72 0.00 0.16 -1.84 105.19 111.39 3lwt n GLY 297 Ca 0.00 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 3lwt n GLY 297 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lwt s ASP 298 N -4.00 6.49 -0.18 1.61 1.11 -0.85 -4.27 116.67 116.58 3lwt s ASP 298 Ca 0.00 2.89 -0.03 0.00 0.18 0.00 0.00 52.55 55.59 3lwt s ASP 298 Cb 0.00 -2.65 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 3lwt s ASP 298 CO 0.00 -0.78 -0.06 0.20 1.18 0.00 0.00 175.17 175.70 3lwt s ASN 299 N 0.01 4.37 -0.38 0.27 0.02 -0.51 -0.87 114.94 117.86 3lwt s ASN 299 Ca 0.55 -0.29 -0.11 0.00 -1.02 0.00 0.00 52.86 51.99 3lwt s ASN 299 Cb -0.45 -1.72 0.03 0.00 0.02 0.00 0.00 41.25 39.14 3lwt s ASN 299 CO 0.54 0.09 0.21 -0.31 0.02 0.00 0.00 177.10 177.65 3lwt s TYR 300 N 0.84 3.25 -0.31 2.20 2.02 0.47 -0.60 117.35 125.23 3lwt s TYR 300 Ca -0.02 -0.98 -0.18 0.00 -0.37 0.00 0.00 57.07 55.52 3lwt s TYR 300 Cb -0.15 -2.45 -0.02 0.00 -0.40 0.00 0.00 41.96 38.95 3lwt s TYR 300 CO 0.01 -0.66 0.52 -0.51 -1.57 0.00 0.00 175.55 173.35 3lwt s LEU 301 N 1.55 4.18 -0.25 -1.29 1.43 0.12 -0.57 118.68 123.85 3lwt s LEU 301 Ca 0.02 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.32 3lwt s LEU 301 Cb -0.19 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 3lwt s LEU 301 CO 0.07 -0.39 0.06 -0.69 0.23 0.00 0.00 176.35 175.62 3lwt s VAL 302 N 2.38 4.22 -0.24 -1.59 1.01 -0.05 -0.31 120.40 125.82 3lwt s VAL 302 Ca 0.20 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3lwt s VAL 302 Cb -0.15 -2.97 0.05 0.00 0.00 0.00 0.00 36.38 33.30 3lwt s VAL 302 CO 0.11 0.34 -0.13 0.21 0.00 0.00 0.00 175.10 175.64 3lwt s ASN 303 N 1.60 4.13 -0.11 3.32 2.47 0.48 -3.77 114.94 123.06 3lwt s ASN 303 Ca 0.06 -1.20 -0.29 0.00 0.42 0.00 0.00 52.86 51.85 3lwt s ASN 303 Cb -0.15 -1.54 -0.01 0.00 -1.45 0.00 0.00 41.25 38.10 3lwt s ASN 303 CO 0.03 -0.14 1.00 -0.76 -3.72 0.00 0.00 177.10 173.51 3lwt s LEU 304 N 1.16 4.24 0.00 3.21 1.43 -1.26 -0.31 118.68 127.14 3lwt s LEU 304 Ca -0.05 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 3lwt s LEU 304 Cb -0.18 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3lwt s LEU 304 CO -0.07 -0.45 0.23 0.52 0.23 0.00 0.00 176.35 176.81 3lwt n VAL 305 N 4.59 0.00 -3.08 -1.59 0.31 0.25 -4.86 118.33 113.95 3lwt n VAL 305 Ca 0.09 0.49 -0.14 0.00 -0.01 0.00 0.00 64.34 64.77 3lwt n VAL 305 Cb 0.49 -1.00 0.07 0.00 -0.91 0.00 0.00 33.84 32.49 3lwt n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3lwt n ASN 306 N -0.45 -4.75 -3.88 4.52 4.13 -1.26 -5.04 115.26 108.54 3lwt n ASN 306 Ca 0.00 -0.59 -0.09 0.00 1.68 0.00 0.00 54.58 55.58 3lwt n ASN 306 Cb 0.00 -4.56 -0.08 0.00 -1.54 0.00 0.00 39.78 33.61 3lwt n ASN 306 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3lwt s GLN 307 N -4.51 0.80 0.00 3.52 -0.44 -1.26 -5.02 119.66 112.74 3lwt s GLN 307 Ca 0.27 -0.94 0.20 0.00 -2.50 0.00 0.00 55.36 52.40 3lwt s GLN 307 Cb -0.04 0.32 0.34 0.00 -1.64 0.00 0.00 33.01 31.99 3lwt s GLN 307 CO 0.64 -0.24 1.13 1.17 0.50 0.00 0.00 175.29 178.49 3lwt n LYS 308 N 0.07 0.00 0.00 1.67 3.00 -1.26 -4.87 118.16 116.77 3lwt n LYS 308 Ca -0.16 -1.78 0.00 0.00 -0.00 0.00 0.00 58.31 56.38 3lwt n LYS 308 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 35.56 3lwt n LYS 308 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3lwt n GLY 309 N 0.39 1.50 3.17 3.14 0.00 -1.26 -5.10 105.19 107.03 3lwt n GLY 309 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3lwt n GLY 309 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3lwt s HIS 310 N -1.79 3.50 -0.26 1.61 5.04 -1.26 -5.08 115.29 117.05 3lwt s HIS 310 Ca 0.00 -2.39 -0.11 0.00 -1.54 0.00 0.00 55.06 51.02 3lwt s HIS 310 Cb 0.00 -3.39 -0.05 0.00 0.04 0.00 0.00 32.58 29.18 3lwt s HIS 310 CO 0.00 -0.91 0.17 -2.00 -2.34 0.00 0.00 174.74 169.66 3lwt s GLU 311 N 0.32 4.01 -0.16 2.88 2.56 -1.26 -4.78 118.70 122.27 3lwt s GLU 311 Ca 0.14 -0.30 -0.12 0.00 0.00 0.00 0.00 54.97 54.70 3lwt s GLU 311 Cb -0.19 -3.60 -0.05 0.00 2.00 0.00 0.00 34.13 32.29 3lwt s GLU 311 CO -0.04 -0.06 0.22 -0.51 -0.56 0.00 0.00 175.26 174.31 3lwt s LEU 312 N 1.40 4.26 0.15 2.70 2.01 -1.26 -5.02 118.68 122.92 3lwt s LEU 312 Ca 0.07 0.43 -0.26 0.00 0.01 0.00 0.00 54.13 54.38 3lwt s LEU 312 Cb -0.15 -2.24 -0.00 0.00 0.01 0.00 0.00 46.19 43.81 3lwt s LEU 312 CO 0.08 0.18 1.59 1.55 1.01 0.00 0.00 176.35 180.75 3lwt h PRO 313 N 6.34 -0.35 -0.49 1.29 0.13 -1.99 -2.79 132.00 134.15 3lwt h PRO 313 Ca -0.43 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3lwt h PRO 313 Cb 1.17 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 3lwt h PRO 313 CO 0.73 -0.23 0.21 -0.24 -0.23 0.00 0.00 178.00 178.24 3lwt h VAL 314 N -0.36 1.17 0.12 1.56 3.04 -1.95 -1.48 116.25 118.35 3lwt h VAL 314 Ca 0.13 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 3lwt h VAL 314 Cb 0.58 0.58 -0.02 0.00 -2.01 0.00 0.00 31.29 30.42 3lwt h VAL 314 CO -0.49 0.21 -0.27 0.50 -1.01 0.00 0.00 177.57 176.51 3lwt h LYS 315 N 0.69 -0.41 -0.50 4.17 1.63 -1.93 -1.63 116.57 118.59 3lwt h LYS 315 Ca 0.17 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.93 3lwt h LYS 315 Cb 0.11 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 3lwt h LYS 315 CO -0.02 -0.27 0.02 1.49 -3.45 0.00 0.00 179.45 177.22 3lwt h GLU 316 N -0.42 0.81 -0.44 1.90 4.81 -1.40 -2.60 114.58 117.24 3lwt h GLU 316 Ca -0.01 -0.21 0.07 0.00 -0.13 0.00 0.00 59.36 59.08 3lwt h GLU 316 Cb 0.40 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 3lwt h GLU 316 CO -0.11 0.80 0.09 0.78 -0.73 0.00 0.00 179.01 179.85 3lwt h GLY 317 N 0.98 0.53 0.65 1.92 0.00 -1.27 -1.23 103.07 104.64 3lwt h GLY 317 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.47 3lwt h GLY 317 CO 0.02 -0.04 -0.21 -1.82 0.00 0.00 0.00 176.54 174.49 3lwt h TYR 318 N 0.23 -0.55 -0.74 5.60 3.20 -0.91 -1.26 116.97 122.55 3lwt h TYR 318 Ca 0.21 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3lwt h TYR 318 Cb 0.26 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3lwt h TYR 318 CO -0.20 -0.30 0.36 1.49 -1.64 0.00 0.00 178.16 177.86 3lwt h GLU 319 N -0.40 1.05 0.10 1.82 4.81 -1.35 -0.36 114.58 120.26 3lwt h GLU 319 Ca 0.02 -0.14 -0.26 0.00 -0.13 0.00 0.00 59.36 58.85 3lwt h GLU 319 Cb 0.41 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3lwt h GLU 319 CO -0.11 0.80 -1.18 0.66 -0.73 0.00 0.00 179.01 178.45 3lwt h SER 320 N 1.04 0.40 0.33 1.04 4.64 -0.85 0.05 113.55 120.21 3lwt h SER 320 Ca 0.26 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 3lwt h SER 320 Cb 0.10 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3lwt h SER 320 CO -0.03 1.31 -0.23 0.58 -0.87 0.00 0.00 176.83 177.58 3lwt h VAL 321 N 0.08 0.52 -0.45 0.95 2.07 -1.11 0.10 116.25 118.42 3lwt h VAL 321 Ca -0.12 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.49 3lwt h VAL 321 Cb 1.90 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 32.12 3lwt h VAL 321 CO 0.19 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 178.30 3lwt h VAL 322 N -0.55 0.59 -0.58 2.57 2.07 -0.97 -1.38 116.25 118.00 3lwt h VAL 322 Ca -0.03 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3lwt h VAL 322 Cb 0.47 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3lwt h VAL 322 CO 0.02 0.01 0.31 0.45 0.02 0.00 0.00 177.57 178.37 3lwt h HIS 323 N 0.05 0.56 -0.63 1.57 -0.00 -0.87 -2.41 115.15 113.42 3lwt h HIS 323 Ca 0.22 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.66 3lwt h HIS 323 Cb 0.34 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.53 3lwt h HIS 323 CO -0.35 0.27 0.36 0.00 -0.00 0.00 0.00 177.93 178.22 3lwt h ALA 324 N 1.31 0.83 0.00 2.45 0.00 -0.25 -2.81 119.26 120.79 3lwt h ALA 324 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3lwt h ALA 324 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3lwt h ALA 324 CO -0.17 0.06 -0.27 -0.07 0.00 0.00 0.00 179.25 178.80 3lwt h LEU 325 N 0.69 0.00 -0.57 0.00 3.38 -0.79 -3.46 115.31 114.56 3lwt h LEU 325 Ca 0.27 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.74 3lwt h LEU 325 Cb 0.12 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.59 3lwt h LEU 325 CO -0.15 0.27 -0.73 -3.20 0.09 0.00 0.00 178.44 174.72 3lwt n ASN 326 N -3.45 -2.06 -4.64 -0.43 5.15 -1.00 -4.87 115.26 103.94 3lwt n ASN 326 Ca -0.00 -0.88 -0.43 0.00 -0.60 0.00 0.00 54.58 52.67 3lwt n ASN 326 Cb 0.45 -1.78 -0.03 0.00 -0.53 0.00 0.00 39.78 37.89 3lwt n ASN 326 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3lwt s ASP 327 N -3.02 6.52 0.00 1.20 -1.08 -1.26 -4.90 116.67 114.13 3lwt s ASP 327 Ca 0.67 1.83 0.10 0.00 -0.52 0.00 0.00 52.55 54.63 3lwt s ASP 327 Cb -0.38 -2.53 0.51 0.00 -1.46 0.00 0.00 42.92 39.05 3lwt s ASP 327 CO 0.82 -1.10 1.19 -0.81 0.52 0.00 0.00 175.17 175.78 3lwt n PRO 328 N 7.38 0.15 -0.13 4.34 -0.04 -1.26 -1.67 135.00 143.77 3lwt n PRO 328 Ca 0.18 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 3lwt n PRO 328 Cb 0.44 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.63 3lwt n PRO 328 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3lwt n LYS 329 N -1.26 2.35 -5.18 0.54 4.76 -1.26 -4.85 118.16 113.24 3lwt n LYS 329 Ca 0.05 -2.02 -0.32 0.00 -2.87 0.00 0.00 58.31 53.15 3lwt n LYS 329 Cb 0.08 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 31.61 3lwt n LYS 329 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3lwt s ILE 330 N -1.65 2.18 -0.05 -0.18 -1.09 -0.67 -1.42 121.20 118.31 3lwt s ILE 330 Ca 0.36 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 57.81 3lwt s ILE 330 Cb 0.21 -1.83 0.01 0.00 -1.58 0.00 0.00 42.46 39.28 3lwt s ILE 330 CO 0.31 0.56 -0.11 -1.00 -1.23 0.00 0.00 174.94 173.47 3lwt s HIS 331 N 0.17 1.25 -0.05 3.97 3.76 0.23 -4.78 115.29 119.85 3lwt s HIS 331 Ca -0.13 -0.39 0.05 0.00 -0.15 0.00 0.00 55.06 54.44 3lwt s HIS 331 Cb -0.16 -0.91 -0.02 0.00 1.11 0.00 0.00 32.58 32.60 3lwt s HIS 331 CO 0.07 -0.19 -0.21 -0.47 -0.85 0.00 0.00 174.74 173.09 3lwt s TYR 332 N 0.43 2.52 -0.04 1.40 5.04 -1.26 0.11 117.35 125.56 3lwt s TYR 332 Ca -0.09 -0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.15 3lwt s TYR 332 Cb -0.13 -1.59 0.02 0.00 0.35 0.00 0.00 41.96 40.61 3lwt s TYR 332 CO 0.02 -0.00 -0.06 0.08 -1.34 0.00 0.00 175.55 174.25 3lwt s VAL 333 N -0.50 0.60 -0.29 3.14 1.01 0.57 -4.94 120.40 120.00 3lwt s VAL 333 Ca 0.06 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3lwt s VAL 333 Cb -0.11 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.68 3lwt s VAL 333 CO 0.01 0.22 0.08 -0.72 0.00 0.00 0.00 175.10 174.69 3lwt s TYR 334 N 0.65 3.13 -0.10 5.22 -0.00 -1.26 -0.39 117.35 124.61 3lwt s TYR 334 Ca -0.09 -0.92 0.03 0.00 -0.00 0.00 0.00 57.07 56.09 3lwt s TYR 334 Cb -0.12 -2.25 -0.01 0.00 -0.00 0.00 0.00 41.96 39.58 3lwt s TYR 334 CO 0.00 -0.55 -0.19 0.12 -0.00 0.00 0.00 175.55 174.94 3lwt s PHE 335 N 1.51 2.66 -0.39 -3.49 5.36 0.58 -4.85 117.98 119.36 3lwt s PHE 335 Ca 0.03 -0.75 -0.23 0.00 -0.96 0.00 0.00 56.93 55.02 3lwt s PHE 335 Cb -0.17 -1.74 0.01 0.00 -0.34 0.00 0.00 43.02 40.78 3lwt s PHE 335 CO 0.02 -0.25 0.80 0.34 -1.46 0.00 0.00 175.22 174.68 3lwt s ASP 336 N 0.17 6.53 -0.60 6.13 -1.08 -1.26 -0.58 116.67 125.97 3lwt s ASP 336 Ca -0.11 0.27 0.05 0.00 -0.52 0.00 0.00 52.55 52.24 3lwt s ASP 336 Cb -0.16 -2.40 0.17 0.00 -1.46 0.00 0.00 42.92 39.07 3lwt s ASP 336 CO 0.06 -0.79 0.44 0.33 0.52 0.00 0.00 175.17 175.73 3lwt n PHE 337 N 6.55 1.74 -3.31 -5.34 7.35 -1.26 -4.97 117.46 118.22 3lwt n PHE 337 Ca 0.03 -3.95 -0.21 0.00 -0.76 0.00 0.00 57.45 52.57 3lwt n PHE 337 Cb 0.48 -0.30 0.02 0.00 0.35 0.00 0.00 39.48 40.03 3lwt n PHE 337 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3lwt s HIS 338 N -0.93 1.90 1.03 -5.13 3.76 -1.26 -4.92 115.29 109.73 3lwt s HIS 338 Ca 0.28 -0.66 -0.15 0.00 -0.15 0.00 0.00 55.06 54.38 3lwt s HIS 338 Cb -0.01 -2.16 0.20 0.00 1.11 0.00 0.00 32.58 31.72 3lwt s HIS 338 CO -0.18 -0.71 1.13 -3.38 -0.85 0.00 0.00 174.74 170.75 3lwt s HIS 339 N -2.61 1.72 0.18 1.40 -3.43 -1.26 -3.01 115.29 108.29 3lwt s HIS 339 Ca 0.52 0.74 -0.31 0.00 -0.80 0.00 0.00 55.06 55.22 3lwt s HIS 339 Cb -0.05 -3.43 -0.10 0.00 -1.43 0.00 0.00 32.58 27.57 3lwt s HIS 339 CO 0.32 -3.02 1.48 -2.00 -2.00 0.00 0.00 174.74 169.52 3lwt s GLU 340 N -5.26 4.26 -0.05 -0.38 -6.30 -1.26 -4.63 118.70 105.08 3lwt s GLU 340 Ca 0.67 2.27 0.10 0.00 -2.50 0.00 0.00 54.97 55.51 3lwt s GLU 340 Cb -0.14 -3.16 0.36 0.00 0.00 0.00 0.00 34.13 31.20 3lwt s GLU 340 CO 0.55 -0.49 1.21 0.00 0.02 0.00 0.00 175.26 176.56 3lwt n ARG 342 N 0.48 1.91 0.03 0.00 1.74 -1.26 -4.55 116.66 115.01 3lwt n ARG 342 Ca 0.13 -1.52 0.00 0.00 -0.77 0.00 0.00 57.85 55.69 3lwt n ARG 342 Cb 0.48 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 3lwt n ARG 342 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3lwt n LYS 343 N 0.22 0.00 0.13 5.56 5.02 -1.21 -4.87 118.16 123.01 3lwt n LYS 343 Ca 0.06 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 3lwt n LYS 343 Cb 0.30 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.15 3lwt n LYS 343 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 3lwt h MET 344 N 0.00 0.45 0.14 1.97 4.05 -1.73 -2.03 114.93 117.78 3lwt h MET 344 Ca 0.00 -0.77 0.01 0.00 -0.28 0.00 0.00 59.70 58.65 3lwt h MET 344 Cb 0.00 0.29 -0.04 0.00 -0.80 0.00 0.00 31.60 31.05 3lwt h MET 344 CO 0.00 1.37 -0.43 0.37 0.23 0.00 0.00 176.91 178.45 3lwt h GLN 345 N 0.12 -0.62 -0.58 0.39 4.15 -1.34 -2.37 115.11 114.86 3lwt h GLN 345 Ca -0.22 0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.16 3lwt h GLN 345 Cb 2.11 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 29.92 3lwt h GLN 345 CO 0.25 -0.42 0.05 2.35 -1.93 0.00 0.00 178.83 179.14 3lwt h TRP 346 N -0.65 1.01 -0.36 3.99 2.91 -1.80 -0.99 115.95 120.07 3lwt h TRP 346 Ca -0.01 -0.14 0.07 0.00 1.13 0.00 0.00 58.89 59.93 3lwt h TRP 346 Cb 0.64 -0.28 -0.09 0.00 -0.51 0.00 0.00 29.16 28.92 3lwt h TRP 346 CO -0.40 0.89 -0.41 1.25 -1.03 0.00 0.00 178.44 178.74 3lwt h HIS 347 N 0.89 -1.17 -0.82 2.65 2.76 -1.39 0.35 115.15 118.43 3lwt h HIS 347 Ca 0.17 0.06 0.23 0.00 -2.20 0.00 0.00 60.37 58.64 3lwt h HIS 347 Cb 0.45 0.56 -0.04 0.00 1.55 0.00 0.00 27.41 29.94 3lwt h HIS 347 CO 0.03 -0.43 0.58 0.00 -1.30 0.00 0.00 177.93 176.81 3lwt h ARG 348 N -0.34 0.05 -0.11 5.26 3.08 -0.65 -1.87 114.38 119.82 3lwt h ARG 348 Ca 0.14 -0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.97 3lwt h ARG 348 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3lwt h ARG 348 CO -0.54 0.03 -0.79 0.28 -1.07 0.00 0.00 179.97 177.89 3lwt h VAL 349 N 0.05 1.32 -0.43 2.04 2.07 -0.25 -0.80 116.25 120.26 3lwt h VAL 349 Ca 0.39 -2.08 -0.05 0.00 0.82 0.00 0.00 66.70 65.78 3lwt h VAL 349 Cb 1.49 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.32 3lwt h VAL 349 CO -0.03 0.64 0.07 0.11 0.02 0.00 0.00 177.57 178.38 3lwt h LYS 350 N 0.41 0.66 -0.68 1.57 1.79 -0.99 -1.65 116.57 117.68 3lwt h LYS 350 Ca -0.05 -0.13 -0.07 0.00 -2.18 0.00 0.00 60.65 58.22 3lwt h LYS 350 Cb 1.40 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.92 3lwt h LYS 350 CO 0.15 0.63 0.16 -0.07 -1.08 0.00 0.00 179.45 179.24 3lwt h LEU 351 N 0.63 1.03 -0.33 2.94 3.38 -0.67 -1.84 115.31 120.45 3lwt h LEU 351 Ca 0.14 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3lwt h LEU 351 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3lwt h LEU 351 CO 0.00 0.99 0.18 0.25 0.09 0.00 0.00 178.44 179.96 3lwt h LEU 352 N 1.03 0.28 -0.66 1.67 5.85 -0.66 -2.02 115.31 120.80 3lwt h LEU 352 Ca 0.21 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3lwt h LEU 352 Cb 0.37 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3lwt h LEU 352 CO 0.00 0.21 0.42 0.40 -0.34 0.00 0.00 178.44 179.13 3lwt h ILE 353 N 0.37 1.18 -0.83 4.05 2.04 -1.05 0.66 117.51 123.93 3lwt h ILE 353 Ca 0.13 -0.37 0.13 0.00 1.00 0.00 0.00 64.86 65.75 3lwt h ILE 353 Cb 0.02 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 36.26 3lwt h ILE 353 CO -0.07 0.18 0.44 0.44 0.00 0.00 0.00 178.15 179.14 3lwt h ASP 354 N 0.90 0.55 -0.25 1.72 5.19 -1.12 0.72 116.42 124.12 3lwt h ASP 354 Ca 0.24 0.08 -0.11 0.00 -0.62 0.00 0.00 57.03 56.62 3lwt h ASP 354 Cb -0.06 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 3lwt h ASP 354 CO -0.05 0.25 -0.26 -0.74 -3.12 0.00 0.00 179.24 175.33 3lwt h HIS 355 N 0.65 0.74 -0.82 4.55 2.76 -0.59 -2.27 115.15 120.17 3lwt h HIS 355 Ca 0.44 -0.23 0.05 0.00 -2.20 0.00 0.00 60.37 58.44 3lwt h HIS 355 Cb 0.58 -0.16 -0.06 0.00 1.55 0.00 0.00 27.41 29.32 3lwt h HIS 355 CO -0.09 0.94 0.51 -0.07 -1.30 0.00 0.00 177.93 177.93 3lwt h LEU 356 N 0.33 0.82 -0.89 0.26 3.38 -0.50 -1.42 115.31 117.30 3lwt h LEU 356 Ca 0.04 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3lwt h LEU 356 Cb 0.82 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3lwt h LEU 356 CO 0.06 0.54 0.58 -0.08 0.09 0.00 0.00 178.44 179.64 3lwt h GLU 357 N 0.96 1.18 0.00 1.13 4.81 -0.72 -0.59 114.58 121.35 3lwt h GLU 357 Ca 0.35 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3lwt h GLU 357 Cb 0.10 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 3lwt h GLU 357 CO -0.15 0.79 -0.07 0.87 -0.73 0.00 0.00 179.01 179.72 3lwt h LYS 358 N 1.21 0.00 0.00 1.92 1.57 -0.69 0.50 116.57 121.08 3lwt h LYS 358 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3lwt h LYS 358 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3lwt h LYS 358 CO -0.07 0.07 -0.14 1.28 -0.57 0.00 0.00 179.45 180.02 3lwt n LEU 359 N -4.22 0.15 0.00 2.94 4.77 -0.32 -4.90 117.00 115.42 3lwt n LEU 359 Ca -0.03 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3lwt n LEU 359 Cb 0.15 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3lwt n LEU 359 CO 0.33 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3lwt n GLY 360 N 1.50 0.68 3.74 -0.72 0.00 0.17 -5.10 105.19 105.45 3lwt n GLY 360 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3lwt n GLY 360 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3lwt s LEU 361 N 0.00 4.45 -0.09 0.99 2.96 -0.65 -4.97 118.68 121.36 3lwt s LEU 361 Ca 0.00 2.20 0.02 0.00 -0.22 0.00 0.00 54.13 56.13 3lwt s LEU 361 Cb 0.00 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 3lwt s LEU 361 CO 0.00 -0.36 -0.14 -0.55 -1.32 0.00 0.00 176.35 173.98 3lwt s SER 362 N 0.17 3.98 0.00 3.68 0.15 -1.26 -4.24 113.70 116.18 3lwt s SER 362 Ca 0.53 -0.28 0.20 0.00 0.70 0.00 0.00 55.95 57.10 3lwt s SER 362 Cb -0.32 -1.26 1.20 0.00 -1.71 0.00 0.00 66.02 63.92 3lwt s SER 362 CO 0.36 0.24 1.61 -0.46 1.20 0.00 0.00 173.24 176.19 3lwt n ASN 363 N 2.99 0.00 -0.46 5.45 0.23 -1.26 -2.05 115.26 120.16 3lwt n ASN 363 Ca -0.18 -0.56 0.13 0.00 -0.53 0.00 0.00 54.58 53.45 3lwt n ASN 363 Cb 0.52 -0.04 0.42 0.00 -2.08 0.00 0.00 39.78 38.61 3lwt n ASN 363 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3lwt n GLU 364 N -1.04 1.48 -2.81 -3.83 1.02 -1.26 -4.66 120.64 109.54 3lwt n GLU 364 Ca 0.15 -0.93 -0.43 0.00 -0.02 0.00 0.00 57.16 55.92 3lwt n GLU 364 Cb 0.08 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3lwt n GLU 364 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3lwt s ASP 365 N -2.16 6.92 0.12 1.62 2.15 -0.87 -4.91 116.67 119.55 3lwt s ASP 365 Ca 0.32 -2.64 -0.12 0.00 0.43 0.00 0.00 52.55 50.55 3lwt s ASP 365 Cb 0.20 -2.46 0.01 0.00 -0.30 0.00 0.00 42.92 40.37 3lwt s ASP 365 CO 0.39 -0.95 0.30 0.72 -0.17 0.00 0.00 175.17 175.46 3lwt s PHE 366 N 2.70 0.06 0.16 -5.34 -0.12 -1.26 -4.73 117.98 109.45 3lwt s PHE 366 Ca 0.45 -0.43 -0.30 0.00 -0.05 0.00 0.00 56.93 56.60 3lwt s PHE 366 Cb -0.01 0.08 -0.07 0.00 -0.63 0.00 0.00 43.02 42.39 3lwt s PHE 366 CO 0.01 -0.66 0.96 0.12 -0.05 0.00 0.00 175.22 175.59 3lwt s PHE 367 N -3.86 3.88 -0.13 3.49 5.36 -0.18 -3.45 117.98 123.08 3lwt s PHE 367 Ca 0.07 1.85 -0.06 0.00 -0.96 0.00 0.00 56.93 57.82 3lwt s PHE 367 Cb 0.03 -3.03 0.06 0.00 -0.34 0.00 0.00 43.02 39.74 3lwt s PHE 367 CO -0.09 0.30 0.30 -1.58 -1.46 0.00 0.00 175.22 172.69 3lwt s HIS 368 N -0.48 -0.45 0.10 10.12 5.65 -0.05 -1.15 115.29 129.02 3lwt s HIS 368 Ca 0.45 1.00 0.03 0.00 0.25 0.00 0.00 55.06 56.79 3lwt s HIS 368 Cb -0.25 0.09 -0.04 0.00 -1.18 0.00 0.00 32.58 31.21 3lwt s HIS 368 CO 0.31 -0.31 -0.09 -1.59 -0.65 0.00 0.00 174.74 172.41 3lwt s LYS 369 N 1.71 0.84 -0.12 2.88 -2.85 0.25 -0.39 119.74 122.07 3lwt s LYS 369 Ca -0.06 -1.20 -0.05 0.00 -1.00 0.00 0.00 55.97 53.66 3lwt s LYS 369 Cb -0.11 -0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 35.17 3lwt s LYS 369 CO -0.10 0.06 0.06 0.08 0.10 0.00 0.00 175.35 175.55 3lwt s VAL 370 N -2.70 4.82 0.39 1.79 1.01 0.34 -0.60 120.40 125.45 3lwt s VAL 370 Ca 0.07 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.07 3lwt s VAL 370 Cb -0.01 -3.09 -0.08 0.00 0.00 0.00 0.00 36.38 33.20 3lwt s VAL 370 CO -0.01 0.57 0.02 0.27 0.00 0.00 0.00 175.10 175.96 3lwt s ILE 371 N -0.62 1.79 0.52 2.22 -4.36 -0.24 -0.34 121.20 120.17 3lwt s ILE 371 Ca 0.11 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.57 3lwt s ILE 371 Cb -0.12 -2.94 0.07 0.00 1.25 0.00 0.00 42.46 40.72 3lwt s ILE 371 CO 0.02 -0.00 0.59 -0.90 0.24 0.00 0.00 174.94 174.88 3lwt n ASP 372 N -0.89 2.24 0.03 4.36 5.68 -0.36 -3.89 116.55 123.71 3lwt n ASP 372 Ca -0.04 -2.56 0.05 0.00 -0.50 0.00 0.00 54.79 51.74 3lwt n ASP 372 Cb 0.67 -0.24 0.24 0.00 -1.14 0.00 0.00 41.12 40.64 3lwt n ASP 372 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3lwt n SER 373 N -2.15 0.11 -0.25 -1.12 3.41 -1.26 0.03 113.62 112.39 3lwt n SER 373 Ca 0.08 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3lwt n SER 373 Cb 0.56 -0.56 0.17 0.00 -0.26 0.00 0.00 64.21 64.12 3lwt n SER 373 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3lwt n ASN 374 N -1.63 1.25 0.00 4.04 5.03 -1.26 -4.98 115.26 117.71 3lwt n ASN 374 Ca 0.02 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.47 3lwt n ASN 374 Cb 0.10 0.38 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 3lwt n ASN 374 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3lwt n GLY 375 N 1.41 0.76 3.86 7.41 0.00 0.10 -5.05 105.19 113.68 3lwt n GLY 375 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3lwt n GLY 375 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3lwt s ASN 376 N -2.32 6.74 0.07 1.61 0.01 -1.26 -4.77 114.94 115.03 3lwt s ASN 376 Ca 0.00 1.08 -0.31 0.00 -0.71 0.00 0.00 52.86 52.92 3lwt s ASN 376 Cb 0.00 -2.29 -0.07 0.00 0.41 0.00 0.00 41.25 39.30 3lwt s ASN 376 CO 0.00 -0.05 1.34 -0.89 -1.51 0.00 0.00 177.10 175.99 3lwt s THR 377 N -1.74 3.60 -0.19 1.60 2.01 -1.26 -1.22 115.64 118.44 3lwt s THR 377 Ca 0.46 1.12 0.18 0.00 0.31 0.00 0.00 61.69 63.76 3lwt s THR 377 Cb -0.12 -3.72 -0.25 0.00 0.01 0.00 0.00 72.50 68.42 3lwt s THR 377 CO 0.20 0.07 0.09 0.52 -0.69 0.00 0.00 174.62 174.81 3lwt n VAL 378 N 4.10 1.30 -3.64 3.82 0.31 0.53 -4.92 118.33 119.83 3lwt n VAL 378 Ca 0.11 -0.83 -0.10 0.00 -0.01 0.00 0.00 64.34 63.51 3lwt n VAL 378 Cb 0.44 -0.44 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 3lwt n VAL 378 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3lwt s GLU 379 N -2.54 0.69 -0.38 5.55 2.12 -1.15 -4.99 118.70 117.99 3lwt s GLU 379 Ca -0.10 0.95 -0.12 0.00 0.36 0.00 0.00 54.97 56.06 3lwt s GLU 379 Cb 0.06 0.27 0.02 0.00 0.26 0.00 0.00 34.13 34.74 3lwt s GLU 379 CO 0.83 -0.10 0.24 0.42 -0.54 0.00 0.00 175.26 176.10 3lwt s ILE 380 N 0.79 4.84 -0.02 -3.70 1.01 -1.26 -0.50 121.20 122.36 3lwt s ILE 380 Ca -0.03 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.90 3lwt s ILE 380 Cb -0.05 -3.67 -0.26 0.00 0.01 0.00 0.00 42.46 38.49 3lwt s ILE 380 CO -0.08 -0.23 0.78 0.58 0.00 0.00 0.00 174.94 175.99 3lwt h VAL 381 N 5.76 1.05 -2.43 2.92 2.07 -1.08 -3.49 116.25 121.06 3lwt h VAL 381 Ca -0.27 -2.76 -0.04 0.00 0.82 0.00 0.00 66.70 64.45 3lwt h VAL 381 Cb 1.12 2.65 -0.16 0.00 -1.52 0.00 0.00 31.29 33.37 3lwt h VAL 381 CO 0.68 0.76 0.19 0.21 0.02 0.00 0.00 177.57 179.44 3lwt s ASN 382 N -6.75 -0.62 0.03 0.57 2.47 -0.84 -4.95 114.94 104.85 3lwt s ASN 382 Ca -0.09 0.41 0.06 0.00 0.42 0.00 0.00 52.86 53.66 3lwt s ASN 382 Cb 0.07 0.56 -0.02 0.00 -1.45 0.00 0.00 41.25 40.41 3lwt s ASN 382 CO 0.83 -0.76 -0.18 -1.61 -3.72 0.00 0.00 177.10 171.67 3lwt s GLU 383 N -2.26 1.23 0.11 0.43 2.02 -1.24 -0.87 118.70 118.12 3lwt s GLU 383 Ca -0.06 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 53.83 3lwt s GLU 383 Cb -0.00 -1.27 -0.06 0.00 0.10 0.00 0.00 34.13 32.90 3lwt s GLU 383 CO 0.00 0.33 0.99 -1.14 0.02 0.00 0.00 175.26 175.46 3lwt s GLN 384 N -0.99 4.67 -0.08 1.61 0.74 -1.22 -4.53 119.66 119.86 3lwt s GLN 384 Ca 0.05 1.50 0.13 0.00 0.05 0.00 0.00 55.36 57.09 3lwt s GLN 384 Cb -0.08 -3.37 0.26 0.00 1.10 0.00 0.00 33.01 30.92 3lwt s GLN 384 CO 0.01 0.17 1.12 0.72 -0.55 0.00 0.00 175.29 176.76 3lwt n HIS 385 N 2.83 0.00 -3.80 1.67 8.25 -1.26 -4.91 115.22 118.00 3lwt n HIS 385 Ca 0.03 -0.68 -0.10 0.00 -0.26 0.00 0.00 57.72 56.71 3lwt n HIS 385 Cb 0.49 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.40 3lwt n HIS 385 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3lwt s SER 386 N -2.18 -0.09 -0.03 0.41 1.04 -0.77 -2.00 113.70 110.08 3lwt s SER 386 Ca 0.24 -0.59 -0.08 0.00 0.48 0.00 0.00 55.95 56.00 3lwt s SER 386 Cb 0.24 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.83 3lwt s SER 386 CO -0.04 -0.89 0.17 0.54 0.98 0.00 0.00 173.24 174.00 3lwt s VAL 387 N -3.88 0.05 -0.19 5.02 0.11 -0.05 -4.88 120.40 116.57 3lwt s VAL 387 Ca 0.09 -0.38 -0.15 0.00 -2.93 0.00 0.00 61.98 58.61 3lwt s VAL 387 Cb 0.02 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 3lwt s VAL 387 CO -0.06 -0.21 0.37 -0.69 -3.33 0.00 0.00 175.10 171.18 3lwt s VAL 388 N -0.75 5.22 -0.23 2.04 1.01 -1.26 -0.39 120.40 126.03 3lwt s VAL 388 Ca -0.08 0.67 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 3lwt s VAL 388 Cb -0.05 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.64 3lwt s VAL 388 CO 0.01 0.28 -0.07 -0.60 0.00 0.00 0.00 175.10 174.73 3lwt s ARG 389 N 1.13 3.03 0.39 2.72 3.52 0.26 -2.40 118.95 127.60 3lwt s ARG 389 Ca 0.18 -0.85 0.08 0.00 -0.13 0.00 0.00 55.73 55.01 3lwt s ARG 389 Cb -0.14 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 3lwt s ARG 389 CO 0.07 -0.32 0.45 0.95 -0.81 0.00 0.00 175.30 175.65 3lwt s THR 390 N 1.37 3.23 -0.12 4.11 -4.23 -0.50 -0.87 115.64 118.65 3lwt s THR 390 Ca 0.03 -1.15 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 3lwt s THR 390 Cb -0.15 -3.12 -0.05 0.00 1.34 0.00 0.00 72.50 70.52 3lwt s THR 390 CO -0.05 -0.06 0.23 0.20 -0.54 0.00 0.00 174.62 174.40 3lwt s ASN 391 N -4.19 6.46 0.52 3.99 0.01 -1.25 -1.67 114.94 118.82 3lwt s ASN 391 Ca 0.49 0.55 0.22 0.00 -0.71 0.00 0.00 52.86 53.41 3lwt s ASN 391 Cb -0.07 -2.14 1.33 0.00 0.41 0.00 0.00 41.25 40.78 3lwt s ASN 391 CO 0.30 0.28 2.04 0.00 -1.51 0.00 0.00 177.10 178.21 3lwt h MET 393 N 0.03 0.00 -7.35 0.00 -0.00 -1.94 -3.46 114.93 102.22 3lwt h MET 393 Ca 0.19 0.00 -0.49 0.00 -0.00 0.00 0.00 59.70 59.40 3lwt h MET 393 Cb 0.70 0.00 0.14 0.00 -0.00 0.00 0.00 31.60 32.44 3lwt h MET 393 CO -0.01 0.00 0.28 -0.51 -0.00 0.00 0.00 176.91 176.67 3lwt s ASP 394 N -6.13 3.89 0.23 -0.10 1.01 -0.84 -4.94 116.67 109.79 3lwt s ASP 394 Ca 0.06 1.50 -0.30 0.00 0.71 0.00 0.00 52.55 54.52 3lwt s ASP 394 Cb 0.05 -2.20 -0.10 0.00 1.01 0.00 0.00 42.92 41.68 3lwt s ASP 394 CO 0.68 -2.38 1.51 0.00 0.21 0.00 0.00 175.17 175.19 3lwt h LEU 396 N 5.49 0.00 -0.53 0.00 5.85 -1.92 -0.15 115.31 124.05 3lwt h LEU 396 Ca -0.45 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 3lwt h LEU 396 Cb 1.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3lwt h LEU 396 CO 0.82 0.00 0.14 0.44 -0.34 0.00 0.00 178.44 179.50 3lwt h ASP 397 N 0.00 0.79 0.08 1.25 5.19 -1.99 -0.35 116.42 121.39 3lwt h ASP 397 Ca 0.16 -0.22 -0.13 0.00 -0.62 0.00 0.00 57.03 56.22 3lwt h ASP 397 Cb 0.75 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 40.07 3lwt h ASP 397 CO -0.00 0.80 -0.57 0.03 -3.12 0.00 0.00 179.24 176.38 3lwt h ARG 398 N 0.73 0.25 -0.05 3.56 3.08 -1.44 -3.14 114.38 117.38 3lwt h ARG 398 Ca 0.17 -0.37 -0.09 0.00 0.07 0.00 0.00 59.98 59.76 3lwt h ARG 398 Cb 0.31 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3lwt h ARG 398 CO -0.00 1.14 -0.37 1.79 -1.07 0.00 0.00 179.97 181.46 3lwt h THR 399 N -0.46 1.28 0.00 2.04 1.35 -1.25 -0.07 112.91 115.79 3lwt h THR 399 Ca -0.09 -1.34 -0.07 0.00 -0.55 0.00 0.00 66.41 64.36 3lwt h THR 399 Cb 1.40 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.48 3lwt h THR 399 CO 0.11 0.39 -0.34 -1.13 -0.25 0.00 0.00 175.52 174.29 3lwt h ASN 400 N 0.08 0.00 -0.19 5.36 -1.24 -1.15 -0.06 115.58 118.38 3lwt h ASN 400 Ca 0.01 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.91 3lwt h ASN 400 Cb 0.70 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.75 3lwt h ASN 400 CO 0.05 0.34 -0.29 0.58 -1.29 0.00 0.00 177.43 176.82 3lwt h VAL 401 N 0.00 1.34 -0.68 2.57 2.07 -1.02 0.55 116.25 121.08 3lwt h VAL 401 Ca -0.00 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.03 3lwt h VAL 401 Cb 0.63 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3lwt h VAL 401 CO 0.04 0.46 0.43 0.58 0.02 0.00 0.00 177.57 179.10 3lwt h VAL 402 N 0.19 1.11 -0.46 2.57 2.07 -0.79 -1.21 116.25 119.74 3lwt h VAL 402 Ca 0.02 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 3lwt h VAL 402 Cb 0.87 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3lwt h VAL 402 CO 0.07 0.15 -0.16 1.56 0.02 0.00 0.00 177.57 179.22 3lwt h GLN 403 N 0.85 0.91 -0.06 1.57 4.20 -0.76 -1.76 115.11 120.06 3lwt h GLN 403 Ca 0.27 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3lwt h GLN 403 Cb -0.01 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 3lwt h GLN 403 CO -0.10 1.02 0.03 1.03 -0.67 0.00 0.00 178.83 180.14 3lwt h SER 404 N 0.75 0.08 -0.66 1.46 0.87 -0.65 -1.13 113.55 114.26 3lwt h SER 404 Ca 0.11 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 3lwt h SER 404 Cb 0.71 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 3lwt h SER 404 CO 0.05 0.20 0.27 0.58 -0.53 0.00 0.00 176.83 177.40 3lwt h VAL 405 N -0.04 1.24 -0.48 2.23 2.07 -1.14 -1.89 116.25 118.25 3lwt h VAL 405 Ca 0.02 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3lwt h VAL 405 Cb 0.14 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3lwt h VAL 405 CO -0.00 0.29 0.28 0.25 0.02 0.00 0.00 177.57 178.41 3lwt h LEU 406 N 0.93 0.58 -1.63 2.57 5.85 -1.28 -2.35 115.31 119.98 3lwt h LEU 406 Ca 0.22 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3lwt h LEU 406 Cb 0.20 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3lwt h LEU 406 CO -0.02 0.48 -0.02 0.00 -0.34 0.00 0.00 178.44 178.55 3lwt h ALA 407 N 1.12 1.70 -0.83 1.25 0.00 -0.93 -1.98 119.26 119.60 3lwt h ALA 407 Ca 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3lwt h ALA 407 Cb 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3lwt h ALA 407 CO -0.03 0.23 0.40 1.96 0.00 0.00 0.00 179.25 181.81 3lwt h GLN 408 N 0.21 1.19 -0.56 0.00 4.20 -0.91 -0.15 115.11 119.09 3lwt h GLN 408 Ca 0.05 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 3lwt h GLN 408 Cb 0.18 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3lwt h GLN 408 CO 0.00 0.91 -0.06 2.35 -0.67 0.00 0.00 178.83 181.36 3lwt h TRP 409 N 1.17 1.13 -0.08 2.96 7.01 -0.99 -2.69 115.95 124.47 3lwt h TRP 409 Ca 0.28 -0.21 -0.17 0.00 2.11 0.00 0.00 58.89 60.90 3lwt h TRP 409 Cb 0.11 -0.29 0.01 0.00 -2.10 0.00 0.00 29.16 26.89 3lwt h TRP 409 CO 0.01 1.03 -0.62 0.28 -2.79 0.00 0.00 178.44 176.35 3lwt h VAL 410 N 0.92 1.36 -0.96 2.65 2.07 -1.32 -3.25 116.25 117.72 3lwt h VAL 410 Ca 0.15 -1.95 0.23 0.00 0.82 0.00 0.00 66.70 65.95 3lwt h VAL 410 Cb 0.62 2.28 -0.12 0.00 -1.52 0.00 0.00 31.29 32.55 3lwt h VAL 410 CO 0.04 0.59 0.52 0.25 0.02 0.00 0.00 177.57 178.99 3lwt h LEU 411 N 0.15 0.56 -0.68 2.57 5.85 -0.94 -1.10 115.31 121.73 3lwt h LEU 411 Ca -0.06 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3lwt h LEU 411 Cb 1.28 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 3lwt h LEU 411 CO 0.13 0.09 0.36 -0.61 -0.34 0.00 0.00 178.44 178.07 3lwt h GLN 412 N 0.54 0.63 -0.24 1.25 5.75 -1.51 0.12 115.11 121.65 3lwt h GLN 412 Ca 0.60 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.93 3lwt h GLN 412 Cb 1.11 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 3lwt h GLN 412 CO -0.48 0.42 -0.40 0.87 -2.65 0.00 0.00 178.83 176.59 3lwt h LYS 413 N 0.65 0.56 0.32 1.69 1.79 -1.33 0.10 116.57 120.36 3lwt h LYS 413 Ca 0.31 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 3lwt h LYS 413 Cb 0.25 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 3lwt h LYS 413 CO -0.21 0.87 -0.17 0.93 -1.08 0.00 0.00 179.45 179.78 3lwt h GLU 414 N 0.46 -0.45 -0.90 3.15 5.08 -0.80 0.11 114.58 121.25 3lwt h GLU 414 Ca 0.04 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.56 3lwt h GLU 414 Cb 0.90 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.17 3lwt h GLU 414 CO 0.08 -0.30 0.51 0.74 -1.00 0.00 0.00 179.01 179.04 3lwt h PHE 415 N -0.46 0.91 -0.41 4.33 0.04 -0.61 -2.22 116.94 118.52 3lwt h PHE 415 Ca -0.04 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 3lwt h PHE 415 Cb 0.37 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 3lwt h PHE 415 CO -0.07 0.30 -0.14 0.93 -0.60 0.00 0.00 178.31 178.73 3lwt h GLU 416 N 0.77 0.75 -0.30 1.51 5.08 -0.48 -0.62 114.58 121.29 3lwt h GLU 416 Ca 0.47 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3lwt h GLU 416 Cb 0.56 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3lwt h GLU 416 CO -0.31 0.85 -0.15 0.66 -1.00 0.00 0.00 179.01 179.06 3lwt h SER 417 N 0.67 0.52 -0.44 1.42 4.64 -0.16 -2.10 113.55 118.11 3lwt h SER 417 Ca 0.11 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3lwt h SER 417 Cb 0.62 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3lwt h SER 417 CO 0.04 0.70 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 3lwt n ALA 418 N -2.48 2.93 -4.09 5.18 0.00 -1.09 -4.94 120.51 116.02 3lwt n ALA 418 Ca 0.00 -1.07 -0.33 0.00 0.00 0.00 0.00 53.44 52.04 3lwt n ALA 418 Cb 0.35 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 3lwt n ALA 418 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3lwt n ASP 419 N 0.68 -3.43 0.04 0.00 8.00 -0.79 -4.23 116.55 116.82 3lwt n ASP 419 Ca 0.18 -0.93 -0.04 0.00 0.71 0.00 0.00 54.79 54.70 3lwt n ASP 419 Cb 0.65 -3.17 -0.09 0.00 -0.02 0.00 0.00 41.12 38.49 3lwt n ASP 419 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3lwt h VAL 420 N -1.73 0.93 -3.67 2.53 2.07 -1.34 -3.44 116.25 111.61 3lwt h VAL 420 Ca -0.59 -2.56 -0.36 0.00 0.82 0.00 0.00 66.70 64.00 3lwt h VAL 420 Cb 1.38 2.40 -0.18 0.00 -1.52 0.00 0.00 31.29 33.36 3lwt h VAL 420 CO 0.73 0.53 -0.74 0.68 0.02 0.00 0.00 177.57 178.78 3lwt s VAL 421 N -2.78 1.11 0.54 2.57 -7.23 -1.21 -4.74 120.40 108.66 3lwt s VAL 421 Ca -0.01 -1.66 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 3lwt s VAL 421 Cb 0.09 -1.42 -0.06 0.00 0.56 0.00 0.00 36.38 35.55 3lwt s VAL 421 CO 0.81 -0.49 1.13 0.00 -0.31 0.00 0.00 175.10 176.24 3lwt s ALA 422 N -2.27 2.69 0.02 1.32 0.00 -1.26 -4.44 121.76 117.82 3lwt s ALA 422 Ca 0.07 0.84 -0.33 0.00 0.00 0.00 0.00 51.96 52.53 3lwt s ALA 422 Cb -0.04 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 3lwt s ALA 422 CO 0.01 -0.78 1.83 2.41 0.00 0.00 0.00 175.76 179.23 3lwt n THR 423 N -1.30 0.46 -1.10 0.00 -1.04 -1.26 -1.57 114.28 108.48 3lwt n THR 423 Ca 0.12 -0.08 -0.03 0.00 -2.04 0.00 0.00 64.05 62.01 3lwt n THR 423 Cb 0.51 -1.93 -0.01 0.00 -1.82 0.00 0.00 70.33 67.08 3lwt n THR 423 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3lwt n GLY 424 N 4.21 0.64 2.32 3.41 0.00 -1.26 -5.06 105.19 109.45 3lwt n GLY 424 Ca 0.20 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 3lwt n GLY 424 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3lwt n SER 425 N 1.29 0.18 -3.87 1.61 3.41 -0.61 -5.10 113.62 110.53 3lwt n SER 425 Ca -0.03 -1.35 -0.28 0.00 -0.26 0.00 0.00 58.87 56.94 3lwt n SER 425 Cb 0.12 -0.58 -0.16 0.00 -0.26 0.00 0.00 64.21 63.32 3lwt n SER 425 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3lwt s THR 426 N -2.59 1.04 0.23 6.66 2.01 -1.26 -5.01 115.64 116.71 3lwt s THR 426 Ca 0.44 -0.60 0.15 0.00 0.31 0.00 0.00 61.69 62.00 3lwt s THR 426 Cb -0.01 -1.24 0.07 0.00 0.01 0.00 0.00 72.50 71.33 3lwt s THR 426 CO 0.31 0.11 1.70 4.11 -0.69 0.00 0.00 174.62 180.16 3lwt h TRP 427 N 8.13 0.00 0.00 4.92 5.08 -1.96 -2.43 115.95 129.69 3lwt h TRP 427 Ca -0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.74 3lwt h TRP 427 Cb 1.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.27 3lwt h TRP 427 CO 0.44 0.46 0.00 0.39 -1.28 0.00 0.00 178.44 178.45 3lwt n GLU 428 N -3.68 0.09 0.00 0.12 4.71 -1.26 -1.71 120.64 118.92 3lwt n GLU 428 Ca -0.01 0.24 0.13 0.00 -0.01 0.00 0.00 57.16 57.50 3lwt n GLU 428 Cb 0.54 -1.50 0.72 0.00 -1.01 0.00 0.00 31.44 30.18 3lwt n GLU 428 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3lwt n ASP 429 N -1.32 0.00 -4.34 1.62 8.00 -0.92 -4.46 116.55 115.13 3lwt n ASP 429 Ca 0.03 -0.53 -0.45 0.00 0.71 0.00 0.00 54.79 54.55 3lwt n ASP 429 Cb 0.06 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.01 3lwt n ASP 429 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3lwt s ASN 430 N -2.22 6.22 0.10 -2.24 3.84 -0.69 -4.99 114.94 114.96 3lwt s ASN 430 Ca 0.33 -1.68 -0.27 0.00 0.21 0.00 0.00 52.86 51.45 3lwt s ASN 430 Cb 0.17 -2.26 -0.13 0.00 -0.55 0.00 0.00 41.25 38.49 3lwt s ASN 430 CO 0.33 -0.97 1.66 0.00 -2.79 0.00 0.00 177.10 175.34 3lwt h ALA 431 N 8.97 -0.43 -0.45 1.71 0.00 -1.89 -1.36 119.26 125.82 3lwt h ALA 431 Ca -0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3lwt h ALA 431 Cb 1.09 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3lwt h ALA 431 CO 1.05 -0.76 0.25 -1.35 0.00 0.00 0.00 179.25 178.44 3lwt h PRO 432 N -0.45 0.60 -0.21 0.00 0.11 -1.96 -1.27 132.00 128.82 3lwt h PRO 432 Ca -0.01 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3lwt h PRO 432 Cb 0.41 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3lwt h PRO 432 CO -0.03 0.44 -0.00 1.25 -0.21 0.00 0.00 178.00 179.45 3lwt h LEU 433 N 0.61 0.37 -1.14 2.35 5.85 -1.73 0.03 115.31 121.66 3lwt h LEU 433 Ca 0.16 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3lwt h LEU 433 Cb 0.00 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3lwt h LEU 433 CO -0.03 0.59 0.47 0.25 -0.34 0.00 0.00 178.44 179.39 3lwt h LEU 434 N 0.14 0.94 0.09 2.25 5.85 -1.06 0.47 115.31 123.98 3lwt h LEU 434 Ca 0.06 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3lwt h LEU 434 Cb 0.40 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3lwt h LEU 434 CO 0.01 0.72 -0.04 0.74 -0.34 0.00 0.00 178.44 179.53 3lwt h THR 435 N 1.08 0.93 -0.66 1.05 2.02 -1.06 0.20 112.91 116.48 3lwt h THR 435 Ca 0.28 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.44 3lwt h THR 435 Cb -0.05 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3lwt h THR 435 CO -0.05 0.02 0.37 0.28 0.37 0.00 0.00 175.52 176.51 3lwt h SER 436 N -0.15 0.57 -0.06 4.18 0.02 -0.52 -1.67 113.55 115.91 3lwt h SER 436 Ca -0.01 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3lwt h SER 436 Cb 0.12 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3lwt h SER 436 CO 0.02 0.37 0.04 0.22 -1.14 0.00 0.00 176.83 176.34 3lwt h TYR 437 N 0.70 0.07 -0.77 3.45 3.20 -0.62 -1.52 116.97 121.49 3lwt h TYR 437 Ca 0.29 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.18 3lwt h TYR 437 Cb 0.15 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 3lwt h TYR 437 CO -0.07 0.05 0.50 1.96 -1.64 0.00 0.00 178.16 178.96 3lwt h GLN 438 N 0.08 0.99 -0.52 1.82 4.20 -0.35 -1.81 115.11 119.52 3lwt h GLN 438 Ca 0.02 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3lwt h GLN 438 Cb -0.01 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3lwt h GLN 438 CO -0.00 0.65 0.07 -0.91 -0.67 0.00 0.00 178.83 177.96 3lwt h ASN 439 N 1.02 0.84 -0.30 1.46 2.35 -1.10 -0.40 115.58 119.44 3lwt h ASN 439 Ca 0.29 -0.27 0.06 0.00 -0.55 0.00 0.00 56.30 55.83 3lwt h ASN 439 Cb -0.08 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.00 3lwt h ASN 439 CO -0.08 0.90 -0.09 0.25 -1.65 0.00 0.00 177.43 176.76 3lwt h LEU 440 N 0.75 -0.33 -0.69 1.61 5.85 -0.94 0.36 115.31 121.92 3lwt h LEU 440 Ca 0.15 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.87 3lwt h LEU 440 Cb 0.43 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3lwt h LEU 440 CO 0.01 -0.12 -0.50 -0.50 -0.34 0.00 0.00 178.44 176.99 3lwt h TRP 441 N -0.02 0.00 -0.27 1.25 4.06 -1.06 -2.55 115.95 117.36 3lwt h TRP 441 Ca 0.15 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.92 3lwt h TRP 441 Cb 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.41 3lwt h TRP 441 CO -0.30 0.50 -0.53 0.00 -3.56 0.00 0.00 178.44 174.56 3lwt h ALA 442 N 1.50 0.56 -0.63 1.49 0.00 -0.65 -2.28 119.26 119.24 3lwt h ALA 442 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3lwt h ALA 442 Cb 1.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3lwt h ALA 442 CO 0.07 0.68 0.35 -0.44 0.00 0.00 0.00 179.25 179.91 3lwt h ASP 443 N 0.61 0.79 -0.14 0.00 3.32 -0.88 -1.89 116.42 118.23 3lwt h ASP 443 Ca 0.02 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.02 3lwt h ASP 443 Cb 1.11 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.42 3lwt h ASP 443 CO 0.11 0.66 -0.13 -1.13 -1.72 0.00 0.00 179.24 177.03 3lwt h ASN 444 N 0.86 -0.41 -0.87 6.45 -1.24 -1.32 0.62 115.58 119.67 3lwt h ASN 444 Ca 0.22 0.08 0.05 0.00 0.71 0.00 0.00 56.30 57.36 3lwt h ASN 444 Cb 0.04 0.20 -0.06 0.00 0.73 0.00 0.00 38.32 39.23 3lwt h ASN 444 CO -0.04 -0.17 0.55 0.00 -1.29 0.00 0.00 177.43 176.48 3lwt h ALA 445 N 0.93 1.17 0.21 1.57 0.00 -1.19 -0.68 119.26 121.27 3lwt h ALA 445 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3lwt h ALA 445 Cb 0.29 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3lwt h ALA 445 CO -0.23 0.33 -0.37 -0.44 0.00 0.00 0.00 179.25 178.54 3lwt h ASP 446 N 1.02 -1.07 -0.82 0.00 3.32 -1.02 -1.60 116.42 116.26 3lwt h ASP 446 Ca 0.37 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.61 3lwt h ASP 446 Cb 0.11 0.39 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 3lwt h ASP 446 CO -0.15 -0.48 0.47 0.00 -1.72 0.00 0.00 179.24 177.37 3lwt h ALA 447 N -0.15 1.15 0.00 3.45 0.00 -0.41 -3.16 119.26 120.14 3lwt h ALA 447 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3lwt h ALA 447 Cb 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3lwt h ALA 447 CO -0.16 0.13 -0.62 0.28 0.00 0.00 0.00 179.25 178.88 3lwt n VAL 448 N -4.72 0.36 0.28 0.00 0.31 -0.30 -3.65 118.33 110.60 3lwt n VAL 448 Ca 0.13 -0.27 0.18 0.00 -0.01 0.00 0.00 64.34 64.37 3lwt n VAL 448 Cb 0.25 -0.13 0.95 0.00 -0.91 0.00 0.00 33.84 33.99 3lwt n VAL 448 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3lwt h SER 449 N 0.00 0.00 0.00 4.52 4.64 -1.25 -3.31 113.55 118.15 3lwt h SER 449 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lwt h SER 449 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3lwt h SER 449 CO 0.00 0.00 0.00 0.52 -0.87 0.00 0.00 176.83 176.48 3lwt n VAL 450 N -2.77 0.00 -0.08 0.95 0.31 -1.24 -3.07 118.33 112.43 3lwt n VAL 450 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.18 3lwt n VAL 450 Cb 0.08 -0.37 -0.14 0.00 -0.91 0.00 0.00 33.84 32.50 3lwt n VAL 450 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lwt n ALA 451 N 0.86 1.40 -3.46 3.52 0.00 -1.25 -4.98 120.51 116.61 3lwt n ALA 451 Ca 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 53.44 52.24 3lwt n ALA 451 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 3lwt n ALA 451 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3lwt s TYR 452 N -2.53 -0.54 -0.27 0.00 1.51 -1.18 -5.13 117.35 109.22 3lwt s TYR 452 Ca -0.17 0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 56.42 3lwt s TYR 452 Cb 0.07 0.51 0.03 0.00 -0.11 0.00 0.00 41.96 42.47 3lwt s TYR 452 CO 0.76 -0.73 -0.04 -1.12 -1.11 0.00 0.00 175.55 173.31 3lwt s SER 453 N -2.24 4.52 0.00 2.29 0.01 -1.26 -4.98 113.70 112.04 3lwt s SER 453 Ca -0.02 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.27 3lwt s SER 453 Cb -0.01 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.53 3lwt s SER 453 CO -0.06 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.03 3lwt n GLY 454 N 4.67 3.53 0.51 3.44 0.00 -1.26 -5.05 105.19 111.04 3lwt n GLY 454 Ca -0.15 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 3lwt n GLY 454 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3lwt n THR 455 N 0.00 0.81 -1.41 2.61 -2.24 -1.26 -5.18 114.28 107.61 3lwt n THR 455 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3lwt n THR 455 Cb 0.00 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 66.58 3lwt n THR 455 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11