#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqk s THR 6 N 0.00 4.98 0.41 1.09 -4.23 -1.26 -4.99 115.64 111.64 1sqk s THR 6 Ca 0.00 0.72 -0.16 0.00 -1.18 0.00 0.00 61.69 61.07 1sqk s THR 6 Cb 0.00 -3.71 -0.09 0.00 1.34 0.00 0.00 72.50 70.04 1sqk s THR 6 CO 0.00 0.38 0.86 0.00 -0.54 0.00 0.00 174.62 175.31 1sqk s ALA 7 N -1.31 3.19 0.07 3.99 0.00 -1.26 -4.34 121.76 122.09 1sqk s ALA 7 Ca 0.32 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1sqk s ALA 7 Cb -0.15 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1sqk s ALA 7 CO 0.17 0.09 0.10 -0.51 0.00 0.00 0.00 175.76 175.62 1sqk s LEU 8 N -3.42 3.91 -0.14 0.00 1.43 0.19 -0.84 118.68 119.81 1sqk s LEU 8 Ca 0.57 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1sqk s LEU 8 Cb -0.10 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.62 1sqk s LEU 8 CO 0.21 0.18 -0.04 -0.69 0.23 0.00 0.00 176.35 176.25 1sqk s VAL 9 N -1.38 0.88 -0.26 -1.59 1.01 -0.47 -0.28 120.40 118.30 1sqk s VAL 9 Ca 0.29 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1sqk s VAL 9 Cb -0.12 -1.05 0.07 0.00 0.00 0.00 0.00 36.38 35.27 1sqk s VAL 9 CO 0.22 0.18 -0.06 0.00 0.00 0.00 0.00 175.10 175.44 1sqk s ASP 11 N 1.20 6.26 -1.31 0.00 3.68 -0.01 -2.25 116.67 124.24 1sqk s ASP 11 Ca -0.05 -0.72 -0.15 0.00 2.13 0.00 0.00 52.55 53.76 1sqk s ASP 11 Cb -0.19 -2.34 0.10 0.00 -1.45 0.00 0.00 42.92 39.04 1sqk s ASP 11 CO -0.06 -1.01 1.79 0.59 0.13 0.00 0.00 175.17 176.61 1sqk n ASN 12 N 6.63 4.80 -4.78 -0.34 3.02 -1.26 -1.44 115.26 121.89 1sqk n ASN 12 Ca -0.04 -2.94 -0.34 0.00 -0.03 0.00 0.00 54.58 51.23 1sqk n ASN 12 Cb 0.46 -1.65 0.02 0.00 -0.61 0.00 0.00 39.78 38.00 1sqk n ASN 12 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1sqk s GLY 13 N 3.20 2.33 0.52 7.41 0.00 -0.88 -4.93 107.32 114.97 1sqk s GLY 13 Ca 0.48 0.62 0.30 0.00 0.00 0.00 0.00 44.72 46.12 1sqk s GLY 13 CO 0.01 0.97 2.01 1.48 0.00 0.00 0.00 173.10 177.57 1sqk h SER 14 N 0.55 0.00 0.00 1.64 4.64 -1.89 -3.32 113.55 115.17 1sqk h SER 14 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1sqk h SER 14 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1sqk h SER 14 CO 0.56 0.10 -0.99 0.61 -0.87 0.00 0.00 176.83 176.24 1sqk n GLY 15 N -0.27 0.00 2.91 -0.77 0.00 -1.26 -4.49 105.19 101.31 1sqk n GLY 15 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1sqk n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqk s LEU 16 N -4.72 1.89 -0.20 0.99 1.43 -1.25 -1.67 118.68 115.16 1sqk s LEU 16 Ca 0.00 -0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 1sqk s LEU 16 Cb 0.00 -0.19 -0.04 0.00 0.03 0.00 0.00 46.19 45.99 1sqk s LEU 16 CO 0.00 0.02 0.33 -0.69 0.23 0.00 0.00 176.35 176.24 1sqk s VAL 17 N 0.07 5.25 -0.27 -1.59 1.01 -0.15 -2.07 120.40 122.66 1sqk s VAL 17 Ca -0.00 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 1sqk s VAL 17 Cb -0.03 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1sqk s VAL 17 CO -0.00 0.30 0.06 -0.54 0.00 0.00 0.00 175.10 174.92 1sqk s LYS 18 N 1.06 3.27 0.10 2.72 3.01 -0.52 -1.87 119.74 127.52 1sqk s LYS 18 Ca 0.16 -0.73 0.07 0.00 -1.01 0.00 0.00 55.97 54.46 1sqk s LYS 18 Cb -0.14 -3.30 -0.03 0.00 -1.01 0.00 0.00 37.83 33.34 1sqk s LYS 18 CO 0.06 -0.35 -0.17 0.00 0.51 0.00 0.00 175.35 175.41 1sqk s ALA 19 N 1.52 1.53 0.00 5.17 0.00 0.20 -0.83 121.76 129.35 1sqk s ALA 19 Ca 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1sqk s ALA 19 Cb -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1sqk s ALA 19 CO 0.02 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.41 1sqk n GLY 20 N 0.95 -0.60 3.49 0.00 0.00 -0.88 -0.09 105.19 108.07 1sqk n GLY 20 Ca -0.19 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1sqk n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sqk s PHE 21 N -3.00 2.55 -0.02 1.61 0.40 -1.26 -1.37 117.98 116.89 1sqk s PHE 21 Ca 0.00 -0.26 -0.30 0.00 -0.60 0.00 0.00 56.93 55.78 1sqk s PHE 21 Cb 0.00 -1.37 -0.06 0.00 0.51 0.00 0.00 43.02 42.10 1sqk s PHE 21 CO 0.00 0.37 1.63 0.00 0.70 0.00 0.00 175.22 177.92 1sqk s ALA 22 N -1.12 3.63 0.00 5.36 0.00 -0.02 -2.63 121.76 126.98 1sqk s ALA 22 Ca 0.18 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1sqk s ALA 22 Cb -0.11 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1sqk s ALA 22 CO 0.10 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 174.99 1sqk n GLY 23 N 4.05 1.72 3.83 0.00 0.00 -1.22 -4.72 105.19 108.85 1sqk n GLY 23 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1sqk n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sqk s ASP 24 N -1.67 6.89 0.00 1.61 1.11 -1.08 -4.97 116.67 118.56 1sqk s ASP 24 Ca 0.00 1.32 0.32 0.00 0.18 0.00 0.00 52.55 54.37 1sqk s ASP 24 Cb 0.00 -2.39 1.80 0.00 1.07 0.00 0.00 42.92 43.41 1sqk s ASP 24 CO 0.00 -0.09 2.18 -0.90 1.18 0.00 0.00 175.17 177.54 1sqk n ASP 25 N 0.15 0.02 -3.48 0.27 5.75 -1.26 -4.86 116.55 113.13 1sqk n ASP 25 Ca 0.01 -0.79 -0.13 0.00 -0.01 0.00 0.00 54.79 53.87 1sqk n ASP 25 Cb 0.52 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 1sqk n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sqk s ALA 26 N -2.14 -1.73 0.04 2.12 0.00 -1.26 -4.95 121.76 113.83 1sqk s ALA 26 Ca 0.43 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 53.04 1sqk s ALA 26 Cb 0.22 0.37 -0.06 0.00 0.00 0.00 0.00 23.12 23.64 1sqk s ALA 26 CO 0.39 -0.60 1.38 -1.25 0.00 0.00 0.00 175.76 175.68 1sqk s PRO 27 N -2.64 4.31 0.33 0.00 0.04 -1.26 -4.82 135.00 130.95 1sqk s PRO 27 Ca -0.02 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.01 1sqk s PRO 27 Cb -0.01 -3.45 0.57 0.00 0.04 0.00 0.00 34.50 31.65 1sqk s PRO 27 CO -0.04 -0.50 1.97 -0.09 0.04 0.00 0.00 177.00 178.37 1sqk h ARG 28 N 7.42 0.86 -4.56 4.56 9.65 -0.86 -3.43 114.38 128.01 1sqk h ARG 28 Ca -0.40 -0.08 -0.39 0.00 -1.10 0.00 0.00 59.98 58.02 1sqk h ARG 28 Cb 1.19 -0.18 -0.30 0.00 -1.39 0.00 0.00 29.97 29.30 1sqk h ARG 28 CO 0.88 0.61 -0.78 0.00 2.80 0.00 0.00 179.97 183.49 1sqk s ALA 29 N -5.63 0.71 -0.11 2.80 0.00 0.66 -5.00 121.76 115.19 1sqk s ALA 29 Ca -0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 1sqk s ALA 29 Cb 0.17 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.11 1sqk s ALA 29 CO 0.77 0.14 0.07 0.54 0.00 0.00 0.00 175.76 177.29 1sqk s VAL 30 N -0.01 -0.04 0.08 0.00 0.11 -1.25 0.62 120.40 119.91 1sqk s VAL 30 Ca 0.00 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.13 1sqk s VAL 30 Cb -0.05 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1sqk s VAL 30 CO -0.00 -0.06 -0.06 0.72 -3.33 0.00 0.00 175.10 172.37 1sqk s PHE 31 N 2.13 0.78 0.13 1.54 -0.12 -0.78 -4.95 117.98 116.70 1sqk s PHE 31 Ca 0.03 -0.95 -0.32 0.00 -0.05 0.00 0.00 56.93 55.65 1sqk s PHE 31 Cb -0.14 -0.48 -0.11 0.00 -0.63 0.00 0.00 43.02 41.66 1sqk s PHE 31 CO -0.06 -0.21 1.82 -2.30 -0.05 0.00 0.00 175.22 174.41 1sqk n PRO 32 N 0.04 2.75 -0.83 1.99 -0.02 -1.26 -0.97 135.00 136.70 1sqk n PRO 32 Ca -0.13 1.00 -0.22 0.00 -2.02 0.00 0.00 63.50 62.13 1sqk n PRO 32 Cb 0.61 -2.88 -0.04 0.00 -0.02 0.00 0.00 33.50 31.16 1sqk n PRO 32 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1sqk n SER 33 N 5.37 5.32 -4.24 2.55 2.88 -0.67 -3.37 113.62 121.45 1sqk n SER 33 Ca 0.18 -2.33 -0.21 0.00 -1.33 0.00 0.00 58.87 55.18 1sqk n SER 33 Cb 0.36 -1.15 -0.12 0.00 -0.75 0.00 0.00 64.21 62.56 1sqk n SER 33 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1sqk s ILE 34 N 2.72 1.46 -0.06 2.46 -4.36 -1.26 -4.30 121.20 117.86 1sqk s ILE 34 Ca 0.47 -1.54 0.01 0.00 -0.26 0.00 0.00 60.65 59.33 1sqk s ILE 34 Cb 0.15 -1.42 0.02 0.00 1.25 0.00 0.00 42.46 42.45 1sqk s ILE 34 CO -0.03 -0.20 -0.06 -0.69 0.24 0.00 0.00 174.94 174.19 1sqk s VAL 35 N -1.47 0.73 -0.05 8.37 1.01 -1.13 -1.87 120.40 126.00 1sqk s VAL 35 Ca 0.05 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1sqk s VAL 35 Cb -0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1sqk s VAL 35 CO 0.04 0.28 -0.18 -0.83 0.00 0.00 0.00 175.10 174.41 1sqk s GLY 36 N 1.08 1.45 0.12 4.51 0.00 0.16 -1.30 107.32 113.33 1sqk s GLY 36 Ca -0.08 -1.01 0.09 0.00 0.00 0.00 0.00 44.72 43.72 1sqk s GLY 36 CO -0.01 -0.76 -0.22 -1.60 0.00 0.00 0.00 173.10 170.51 1sqk s ARG 37 N -0.59 1.21 0.10 2.90 6.06 -0.98 -1.01 118.95 126.65 1sqk s ARG 37 Ca 0.09 -1.23 -0.36 0.00 -2.50 0.00 0.00 55.73 51.72 1sqk s ARG 37 Cb -0.11 -1.53 -0.17 0.00 0.06 0.00 0.00 34.95 33.21 1sqk s ARG 37 CO 0.01 0.35 1.30 -2.30 -2.50 0.00 0.00 175.30 172.16 1sqk n PRO 38 N 0.97 1.15 -0.00 5.12 -0.02 -1.26 -0.47 135.00 140.48 1sqk n PRO 38 Ca -0.19 0.41 -0.09 0.00 -2.02 0.00 0.00 63.50 61.61 1sqk n PRO 38 Cb 0.54 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.85 1sqk n PRO 38 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1sqk h ARG 39 N 4.30 0.02 0.00 -0.52 2.43 -1.43 -3.43 114.38 115.76 1sqk h ARG 39 Ca -0.47 -0.04 -0.56 0.00 -0.81 0.00 0.00 59.98 58.10 1sqk h ARG 39 Cb 1.34 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.78 1sqk h ARG 39 CO 0.76 0.63 -0.46 0.72 -1.51 0.00 0.00 179.97 180.11 1sqk n HIS 40 N -3.13 0.32 -2.60 2.20 8.25 -1.26 -4.78 115.22 114.22 1sqk n HIS 40 Ca -0.15 -2.54 -0.18 0.00 -0.26 0.00 0.00 57.72 54.59 1sqk n HIS 40 Cb 1.04 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 32.09 1sqk n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sqk n GLN 41 N -0.96 -2.68 -0.00 -0.41 10.64 -1.26 -5.17 117.38 117.54 1sqk n GLN 41 Ca -0.08 0.80 0.00 0.00 -1.83 0.00 0.00 57.00 55.89 1sqk n GLN 41 Cb 0.60 -5.30 0.00 0.00 -0.86 0.00 0.00 30.24 24.69 1sqk n GLN 41 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1sqk n GLY 42 N -1.20 0.00 0.00 2.61 0.00 -1.26 -5.22 105.19 100.12 1sqk n GLY 42 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1sqk n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqk n LYS 50 N 0.01 2.28 -1.08 1.61 4.01 -1.26 -5.21 118.16 118.53 1sqk n LYS 50 Ca 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 1sqk n LYS 50 Cb 0.00 0.00 0.16 0.00 -0.51 0.00 0.00 35.03 34.68 1sqk n LYS 50 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1sqk n ASP 51 N 0.00 3.41 -3.64 4.39 3.85 -1.26 -4.84 116.55 118.47 1sqk n ASP 51 Ca 0.00 -3.78 -0.05 0.00 -0.71 0.00 0.00 54.79 50.25 1sqk n ASP 51 Cb 0.00 -0.64 -0.06 0.00 -1.35 0.00 0.00 41.12 39.07 1sqk n ASP 51 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1sqk s SER 52 N -2.57 -0.15 -0.10 -1.12 0.01 -1.26 -4.55 113.70 103.96 1sqk s SER 52 Ca 0.48 0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.93 1sqk s SER 52 Cb 0.42 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.92 1sqk s SER 52 CO 0.01 -0.08 0.23 -0.31 0.41 0.00 0.00 173.24 173.49 1sqk s TYR 53 N -0.38 -0.29 0.17 2.43 2.02 -0.18 -4.98 117.35 116.14 1sqk s TYR 53 Ca 0.06 0.71 0.10 0.00 -0.37 0.00 0.00 57.07 57.57 1sqk s TYR 53 Cb -0.03 0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 1sqk s TYR 53 CO -0.10 -0.20 -0.19 0.08 -1.57 0.00 0.00 175.55 173.57 1sqk s VAL 54 N 0.99 2.66 0.00 0.71 1.01 -1.26 0.39 120.40 124.90 1sqk s VAL 54 Ca -0.07 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.08 1sqk s VAL 54 Cb -0.08 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1sqk s VAL 54 CO -0.06 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1sqk n GLY 55 N 0.32 2.20 0.21 4.51 0.00 -0.78 -3.56 105.19 108.09 1sqk n GLY 55 Ca -0.13 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 1sqk n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sqk h ASP 56 N 9.67 0.04 -0.27 1.61 3.32 -1.93 -2.35 116.42 126.51 1sqk h ASP 56 Ca 0.00 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.21 1sqk h ASP 56 Cb 0.00 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.60 1sqk h ASP 56 CO 0.00 0.04 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.01 1sqk h GLU 57 N 0.27 -0.21 -0.92 3.56 5.08 -1.95 0.24 114.58 120.65 1sqk h GLU 57 Ca 0.28 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.85 1sqk h GLU 57 Cb 0.38 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 1sqk h GLU 57 CO -0.34 -0.14 0.48 0.00 -1.00 0.00 0.00 179.01 178.01 1sqk h ALA 58 N 0.88 1.51 -0.12 3.43 0.00 -1.49 -1.27 119.26 122.20 1sqk h ALA 58 Ca 0.15 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1sqk h ALA 58 Cb 0.44 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sqk h ALA 58 CO -0.40 -0.22 -0.02 0.37 0.00 0.00 0.00 179.25 178.98 1sqk h GLN 59 N 0.55 0.23 -0.21 0.00 5.75 -0.33 -2.53 115.11 118.57 1sqk h GLN 59 Ca 0.56 -0.08 0.06 0.00 -0.15 0.00 0.00 58.65 59.03 1sqk h GLN 59 Cb 0.98 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.45 1sqk h GLN 59 CO -0.46 0.51 -0.23 0.77 -2.65 0.00 0.00 178.83 176.78 1sqk h SER 60 N -0.07 -0.73 -0.23 -0.69 0.02 0.30 -2.00 113.55 110.15 1sqk h SER 60 Ca 0.03 0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1sqk h SER 60 Cb 0.42 0.34 -0.05 0.00 0.14 0.00 0.00 62.40 63.25 1sqk h SER 60 CO 0.01 -0.27 0.11 0.29 -1.14 0.00 0.00 176.83 175.83 1sqk n LYS 61 N -5.37 1.59 -0.27 3.45 5.02 -0.58 -4.49 118.16 117.51 1sqk n LYS 61 Ca -0.01 -0.82 0.13 0.00 -2.02 0.00 0.00 58.31 55.58 1sqk n LYS 61 Cb 0.28 -1.46 0.39 0.00 -0.02 0.00 0.00 35.03 34.23 1sqk n LYS 61 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1sqk h ARG 62 N 0.56 0.63 -1.08 1.97 0.11 -0.91 -2.39 114.38 113.27 1sqk h ARG 62 Ca 0.11 -0.04 0.31 0.00 0.10 0.00 0.00 59.98 60.47 1sqk h ARG 62 Cb 1.29 -0.14 -0.04 0.00 1.11 0.00 0.00 29.97 32.18 1sqk h ARG 62 CO 0.24 0.42 0.80 0.78 0.10 0.00 0.00 179.97 182.31 1sqk h GLY 63 N 0.65 0.00 -0.03 0.08 0.00 -1.85 -1.81 103.07 100.11 1sqk h GLY 63 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1sqk h GLY 63 CO -0.22 0.00 -0.02 0.29 0.00 0.00 0.00 176.54 176.59 1sqk n ILE 64 N -4.15 1.43 -4.28 2.60 -0.00 -0.91 -5.04 119.36 109.01 1sqk n ILE 64 Ca 0.23 -1.64 -0.16 0.00 -0.00 0.00 0.00 62.75 61.18 1sqk n ILE 64 Cb 1.16 0.11 -0.10 0.00 -0.00 0.00 0.00 39.64 40.81 1sqk n ILE 64 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1sqk s LEU 65 N -1.98 2.53 -0.27 7.28 1.43 -0.68 -1.12 118.68 125.87 1sqk s LEU 65 Ca 0.18 -1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 52.21 1sqk s LEU 65 Cb 0.15 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.95 1sqk s LEU 65 CO 0.02 -0.29 0.01 0.42 0.23 0.00 0.00 176.35 176.73 1sqk s THR 66 N -3.23 3.39 0.55 5.49 -4.23 0.37 -4.78 115.64 113.21 1sqk s THR 66 Ca 0.19 -0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 59.67 1sqk s THR 66 Cb 0.02 -2.74 -0.07 0.00 1.34 0.00 0.00 72.50 71.05 1sqk s THR 66 CO 0.03 0.13 1.00 -0.76 -0.54 0.00 0.00 174.62 174.48 1sqk s LEU 67 N 1.40 3.50 0.06 4.79 1.43 -1.26 -2.32 118.68 126.28 1sqk s LEU 67 Ca 0.01 1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 54.62 1sqk s LEU 67 Cb -0.17 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.52 1sqk s LEU 67 CO -0.01 -0.70 0.02 -0.54 0.23 0.00 0.00 176.35 175.35 1sqk s LYS 68 N -4.39 0.64 -0.41 1.70 -0.14 -0.42 -4.98 119.74 111.74 1sqk s LYS 68 Ca 0.58 -1.12 0.03 0.00 -1.36 0.00 0.00 55.97 54.10 1sqk s LYS 68 Cb -0.10 0.23 0.12 0.00 -1.68 0.00 0.00 37.83 36.39 1sqk s LYS 68 CO 0.38 -0.14 0.16 0.71 -0.76 0.00 0.00 175.35 175.70 1sqk s TYR 69 N -3.73 2.92 0.50 3.18 4.12 -1.26 -2.83 117.35 120.25 1sqk s TYR 69 Ca 0.05 -2.75 0.34 0.00 0.02 0.00 0.00 57.07 54.74 1sqk s TYR 69 Cb 0.06 -2.50 1.85 0.00 -1.52 0.00 0.00 41.96 39.84 1sqk s TYR 69 CO -0.10 -0.84 2.20 -1.35 0.02 0.00 0.00 175.55 175.48 1sqk h PRO 70 N 7.18 0.00 -0.78 -1.71 0.11 -1.92 -3.10 132.00 131.79 1sqk h PRO 70 Ca -0.06 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.61 1sqk h PRO 70 Cb 0.96 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.66 1sqk h PRO 70 CO 0.56 0.04 -0.94 -0.89 -0.21 0.00 0.00 178.00 176.55 1sqk n ILE 71 N -3.45 1.94 -0.19 4.15 5.41 -1.26 -0.91 119.36 125.06 1sqk n ILE 71 Ca -0.02 -3.78 -0.05 0.00 1.00 0.00 0.00 62.75 59.90 1sqk n ILE 71 Cb 0.16 -0.17 -0.04 0.00 -0.71 0.00 0.00 39.64 38.87 1sqk n ILE 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1sqk n GLU 72 N -0.57 -0.20 -1.24 0.38 2.13 -1.17 -1.41 120.64 118.55 1sqk n GLU 72 Ca 0.28 0.85 -0.17 0.00 0.66 0.00 0.00 57.16 58.77 1sqk n GLU 72 Cb 0.86 -1.25 0.13 0.00 0.27 0.00 0.00 31.44 31.45 1sqk n GLU 72 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1sqk n HIS 73 N -4.19 2.12 0.00 4.31 8.25 -1.26 -4.14 115.22 120.32 1sqk n HIS 73 Ca 0.01 -2.07 0.00 0.00 -0.26 0.00 0.00 57.72 55.40 1sqk n HIS 73 Cb 0.12 -0.71 0.00 0.00 1.12 0.00 0.00 29.99 30.52 1sqk n HIS 73 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqk n GLY 74 N -1.00 3.32 3.73 -1.41 0.00 -0.50 -4.59 105.19 104.74 1sqk n GLY 74 Ca 0.45 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 1sqk n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sqk s ILE 75 N -2.49 4.58 -0.18 -0.61 1.09 -1.26 -4.19 121.20 118.14 1sqk s ILE 75 Ca 0.00 -0.14 -0.29 0.00 -1.10 0.00 0.00 60.65 59.11 1sqk s ILE 75 Cb 0.00 -2.95 -0.01 0.00 -1.06 0.00 0.00 42.46 38.45 1sqk s ILE 75 CO 0.00 0.61 1.17 -0.63 -0.10 0.00 0.00 174.94 175.98 1sqk s ILE 76 N -0.91 4.45 -0.43 2.92 1.01 -1.26 -4.23 121.20 122.75 1sqk s ILE 76 Ca 0.14 1.75 0.08 0.00 0.00 0.00 0.00 60.65 62.62 1sqk s ILE 76 Cb -0.11 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.15 1sqk s ILE 76 CO 0.03 -0.14 0.37 0.35 0.00 0.00 0.00 174.94 175.55 1sqk n THR 77 N 5.26 0.00 -3.74 2.92 -2.24 -0.08 -4.93 114.28 111.47 1sqk n THR 77 Ca 0.13 -0.32 -0.27 0.00 -2.27 0.00 0.00 64.05 61.32 1sqk n THR 77 Cb 0.46 1.01 -0.17 0.00 -2.10 0.00 0.00 70.33 69.53 1sqk n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sqk s ASN 78 N -1.68 2.59 0.21 3.42 3.84 -1.25 -5.03 114.94 117.03 1sqk s ASN 78 Ca 0.04 -0.65 0.11 0.00 0.21 0.00 0.00 52.86 52.56 1sqk s ASN 78 Cb 0.06 -0.55 0.06 0.00 -0.55 0.00 0.00 41.25 40.27 1sqk s ASN 78 CO 0.31 -0.28 1.43 -0.50 -2.79 0.00 0.00 177.10 175.27 1sqk h TRP 79 N 8.27 0.00 -0.30 0.43 4.06 -1.94 -1.18 115.95 125.29 1sqk h TRP 79 Ca -0.17 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.71 1sqk h TRP 79 Cb 1.12 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 1sqk h TRP 79 CO 0.32 0.76 -0.07 -0.44 -3.56 0.00 0.00 178.44 175.45 1sqk h ASP 80 N 0.00 0.57 -0.17 -3.49 3.32 -2.00 -1.73 116.42 112.93 1sqk h ASP 80 Ca -0.01 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1sqk h ASP 80 Cb 1.46 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1sqk h ASP 80 CO 0.10 0.80 0.05 0.44 -1.72 0.00 0.00 179.24 178.91 1sqk h ASP 81 N 0.34 0.24 -0.64 6.45 3.45 -2.00 -2.87 116.42 121.38 1sqk h ASP 81 Ca 0.08 -0.20 0.05 0.00 0.43 0.00 0.00 57.03 57.39 1sqk h ASP 81 Cb 0.55 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.22 1sqk h ASP 81 CO 0.03 0.38 0.42 -0.03 -1.57 0.00 0.00 179.24 178.47 1sqk h MET 82 N 0.09 0.67 -0.08 3.56 4.05 -1.15 0.22 114.93 122.29 1sqk h MET 82 Ca 0.05 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1sqk h MET 82 Cb 0.22 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1sqk h MET 82 CO -0.00 0.44 -0.03 0.93 0.23 0.00 0.00 176.91 178.48 1sqk h GLU 83 N 0.69 0.11 -0.33 0.39 5.08 -1.10 -1.75 114.58 117.67 1sqk h GLU 83 Ca 0.27 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.45 1sqk h GLU 83 Cb 0.20 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1sqk h GLU 83 CO -0.08 0.16 -0.43 0.87 -1.00 0.00 0.00 179.01 178.53 1sqk h LYS 84 N 0.11 0.88 0.53 2.33 1.79 -0.46 -1.05 116.57 120.69 1sqk h LYS 84 Ca 0.03 -0.50 -0.03 0.00 -2.18 0.00 0.00 60.65 57.97 1sqk h LYS 84 Cb 0.13 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1sqk h LYS 84 CO 0.01 1.14 -0.25 0.82 -1.08 0.00 0.00 179.45 180.08 1sqk h ILE 85 N 0.67 0.47 -0.63 1.86 1.08 -0.88 -1.15 117.51 118.94 1sqk h ILE 85 Ca 0.04 -0.14 0.03 0.00 -0.39 0.00 0.00 64.86 64.41 1sqk h ILE 85 Cb 1.03 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 35.27 1sqk h ILE 85 CO 0.10 0.02 0.41 -0.50 -0.69 0.00 0.00 178.15 177.50 1sqk h TRP 86 N -0.79 0.71 -0.13 1.37 6.55 -1.38 0.22 115.95 122.49 1sqk h TRP 86 Ca -0.07 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.77 1sqk h TRP 86 Cb 0.58 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 1sqk h TRP 86 CO -0.02 0.41 0.03 1.25 -1.05 0.00 0.00 178.44 179.06 1sqk h HIS 87 N 0.73 0.22 -0.26 0.49 2.76 -1.01 -1.68 115.15 116.41 1sqk h HIS 87 Ca 0.25 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1sqk h HIS 87 Cb 0.09 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1sqk h HIS 87 CO -0.00 0.37 0.14 1.25 -1.30 0.00 0.00 177.93 178.40 1sqk h HIS 88 N 0.01 0.35 0.04 5.26 -0.00 -0.41 -1.46 115.15 118.95 1sqk h HIS 88 Ca 0.04 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 1sqk h HIS 88 Cb 0.26 -0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 27.50 1sqk h HIS 88 CO 0.01 0.29 -0.47 1.15 -0.00 0.00 0.00 177.93 178.91 1sqk h THR 89 N 0.31 0.09 0.00 6.26 2.02 -0.51 0.13 112.91 121.20 1sqk h THR 89 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1sqk h THR 89 Cb 0.06 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1sqk h THR 89 CO -0.02 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.36 1sqk n PHE 90 N -5.47 0.00 -0.07 3.16 0.99 -0.64 -0.48 117.46 114.95 1sqk n PHE 90 Ca -0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.23 1sqk n PHE 90 Cb 0.39 -0.41 -0.05 0.00 -1.00 0.00 0.00 39.48 38.41 1sqk n PHE 90 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1sqk h TYR 91 N 0.00 1.05 0.00 1.38 -1.99 -1.35 0.33 116.97 116.39 1sqk h TYR 91 Ca 0.00 -0.39 -0.08 0.00 2.00 0.00 0.00 58.73 60.26 1sqk h TYR 91 Cb 0.00 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.52 1sqk h TYR 91 CO 0.03 1.21 -0.72 -0.91 -0.00 0.00 0.00 178.16 177.77 1sqk h ASN 92 N 0.60 0.00 0.64 3.88 -0.26 -1.16 -3.21 115.58 116.06 1sqk h ASN 92 Ca 0.01 -0.21 -0.03 0.00 -0.56 0.00 0.00 56.30 55.50 1sqk h ASN 92 Cb 1.16 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.43 1sqk h ASN 92 CO 0.12 1.00 -0.31 -0.33 -1.06 0.00 0.00 177.43 176.86 1sqk h GLU 93 N -1.00 -0.82 0.00 0.81 4.39 -0.70 -3.34 114.58 113.92 1sqk h GLU 93 Ca -0.12 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1sqk h GLU 93 Cb 0.77 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1sqk h GLU 93 CO -0.07 -0.55 -0.50 -0.07 -1.16 0.00 0.00 179.01 176.65 1sqk h LEU 94 N -1.17 0.00 -3.04 1.33 3.38 -0.78 -3.48 115.31 111.56 1sqk h LEU 94 Ca -0.09 -0.03 -0.37 0.00 0.09 0.00 0.00 57.88 57.49 1sqk h LEU 94 Cb 0.66 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.50 1sqk h LEU 94 CO 0.14 0.01 -0.87 0.54 0.09 0.00 0.00 178.44 178.36 1sqk n ARG 95 N -2.74 -1.42 -4.00 1.13 1.74 0.11 -4.97 116.66 106.50 1sqk n ARG 95 Ca 0.02 0.62 -0.09 0.00 -0.77 0.00 0.00 57.85 57.63 1sqk n ARG 95 Cb 0.52 -4.46 -0.08 0.00 -1.02 0.00 0.00 32.46 27.42 1sqk n ARG 95 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1sqk s VAL 96 N -3.39 0.10 -0.33 1.55 -7.23 -0.76 -4.98 120.40 105.35 1sqk s VAL 96 Ca 0.42 -1.51 -0.18 0.00 -1.81 0.00 0.00 61.98 58.90 1sqk s VAL 96 Cb -0.13 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 1sqk s VAL 96 CO 0.83 -0.45 0.52 0.00 -0.31 0.00 0.00 175.10 175.69 1sqk s ALA 97 N -3.97 3.50 0.59 1.32 0.00 -1.26 -3.99 121.76 117.95 1sqk s ALA 97 Ca 0.16 -0.92 0.29 0.00 0.00 0.00 0.00 51.96 51.49 1sqk s ALA 97 Cb 0.05 -2.99 1.56 0.00 0.00 0.00 0.00 23.12 21.73 1sqk s ALA 97 CO -0.02 -1.12 1.98 -1.00 0.00 0.00 0.00 175.76 175.59 1sqk h PRO 98 N 8.37 0.00 0.00 0.00 0.13 -1.91 0.63 132.00 139.22 1sqk h PRO 98 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1sqk h PRO 98 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1sqk h PRO 98 CO 0.76 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.92 1sqk n GLU 99 N -3.71 0.09 0.03 0.86 4.71 -1.25 -2.68 120.64 118.69 1sqk n GLU 99 Ca 0.05 0.29 0.09 0.00 -0.01 0.00 0.00 57.16 57.59 1sqk n GLU 99 Cb 0.52 -1.66 -0.11 0.00 -1.01 0.00 0.00 31.44 29.18 1sqk n GLU 99 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1sqk n GLU 100 N -1.83 0.64 -4.84 3.49 -0.58 0.21 -4.17 120.64 113.56 1sqk n GLU 100 Ca 0.03 -0.05 -0.25 0.00 -0.42 0.00 0.00 57.16 56.47 1sqk n GLU 100 Cb 0.22 -1.64 -0.15 0.00 -0.57 0.00 0.00 31.44 29.30 1sqk n GLU 100 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1sqk s HIS 101 N -3.37 1.60 0.45 -0.32 3.76 -1.09 -4.52 115.29 111.80 1sqk s HIS 101 Ca -0.05 -0.33 -0.24 0.00 -0.15 0.00 0.00 55.06 54.28 1sqk s HIS 101 Cb 0.12 -1.04 -0.07 0.00 1.11 0.00 0.00 32.58 32.69 1sqk s HIS 101 CO 0.86 -0.05 1.26 -2.14 -0.85 0.00 0.00 174.74 173.81 1sqk s PRO 102 N -0.33 3.73 -0.10 8.40 0.02 -1.26 -4.46 135.00 141.01 1sqk s PRO 102 Ca 0.05 2.02 0.04 0.00 0.02 0.00 0.00 61.00 63.12 1sqk s PRO 102 Cb -0.08 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.92 1sqk s PRO 102 CO -0.00 -0.64 -0.23 0.99 -0.33 0.00 0.00 177.00 176.79 1sqk s THR 103 N -1.38 1.98 -0.26 0.99 2.01 -0.73 -0.64 115.64 117.62 1sqk s THR 103 Ca 0.62 -0.97 -0.10 0.00 0.31 0.00 0.00 61.69 61.55 1sqk s THR 103 Cb -0.35 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 1sqk s THR 103 CO 0.43 0.54 0.16 -0.22 -0.69 0.00 0.00 174.62 174.84 1sqk s LEU 104 N 0.45 4.00 0.00 4.42 2.96 0.61 -1.39 118.68 129.74 1sqk s LEU 104 Ca -0.16 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 1sqk s LEU 104 Cb -0.17 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1sqk s LEU 104 CO 0.07 0.01 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.19 1sqk s LEU 105 N 1.41 2.72 0.19 -0.68 1.43 0.11 -0.59 118.68 123.28 1sqk s LEU 105 Ca 0.07 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1sqk s LEU 105 Cb -0.15 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1sqk s LEU 105 CO 0.07 0.29 0.28 0.42 0.23 0.00 0.00 176.35 177.65 1sqk s THR 106 N -0.86 5.10 0.04 5.49 -4.23 -0.95 -1.33 115.64 118.90 1sqk s THR 106 Ca 0.14 -0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1sqk s THR 106 Cb -0.11 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 1sqk s THR 106 CO 0.04 -0.20 -0.01 -1.83 -0.54 0.00 0.00 174.62 172.08 1sqk s GLU 107 N -3.54 0.49 0.64 3.99 -1.05 -0.21 -4.41 118.70 114.62 1sqk s GLU 107 Ca 0.34 -0.91 -0.14 0.00 -0.15 0.00 0.00 54.97 54.11 1sqk s GLU 107 Cb -0.10 0.17 -0.01 0.00 -0.44 0.00 0.00 34.13 33.76 1sqk s GLU 107 CO 0.28 -0.09 1.08 0.00 0.95 0.00 0.00 175.26 177.47 1sqk s ALA 108 N -2.75 2.59 0.38 -0.84 0.00 -1.26 -1.60 121.76 118.28 1sqk s ALA 108 Ca -0.04 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.05 1sqk s ALA 108 Cb -0.01 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1sqk s ALA 108 CO -0.06 -1.11 1.37 -2.14 0.00 0.00 0.00 175.76 173.82 1sqk s PRO 109 N -4.26 4.11 -0.82 0.00 0.02 -1.26 -2.79 135.00 129.99 1sqk s PRO 109 Ca 0.64 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1sqk s PRO 109 Cb -0.17 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1sqk s PRO 109 CO 0.42 -0.43 0.00 1.28 -0.33 0.00 0.00 177.00 177.94 1sqk n LEU 110 N 0.41 -1.22 -4.69 -5.54 4.77 -1.26 -4.98 117.00 104.49 1sqk n LEU 110 Ca 0.02 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1sqk n LEU 110 Cb 0.42 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.93 1sqk n LEU 110 CO 0.59 -0.19 1.06 0.21 -1.33 0.00 0.00 177.39 177.73 1sqk s ASN 111 N -2.67 6.91 0.55 -1.43 2.47 -1.12 -4.97 114.94 114.68 1sqk s ASN 111 Ca 0.00 2.05 -0.21 0.00 0.42 0.00 0.00 52.86 55.12 1sqk s ASN 111 Cb 0.00 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.18 1sqk s ASN 111 CO 0.00 -0.67 1.22 -2.65 -3.72 0.00 0.00 177.10 171.29 1sqk n PRO 112 N 5.15 1.45 -0.08 0.43 -0.02 -1.26 -4.82 135.00 135.86 1sqk n PRO 112 Ca 0.12 0.54 -0.07 0.00 -2.02 0.00 0.00 63.50 62.07 1sqk n PRO 112 Cb 0.44 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 1sqk n PRO 112 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1sqk h LYS 113 N 1.21 0.02 -0.76 -0.52 1.57 -1.99 -1.58 116.57 114.52 1sqk h LYS 113 Ca -0.49 -0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.45 1sqk h LYS 113 Cb 1.32 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.58 1sqk h LYS 113 CO 0.55 0.02 0.51 0.00 -0.57 0.00 0.00 179.45 179.96 1sqk h ALA 114 N 1.29 2.25 -0.14 3.86 0.00 -1.99 0.27 119.26 124.80 1sqk h ALA 114 Ca 0.14 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1sqk h ALA 114 Cb 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1sqk h ALA 114 CO -0.29 -0.46 -0.19 -0.97 0.00 0.00 0.00 179.25 177.34 1sqk h ASN 115 N 0.32 0.40 -0.43 0.00 -0.73 -1.67 -1.87 115.58 111.60 1sqk h ASN 115 Ca 0.37 -0.52 -0.02 0.00 1.87 0.00 0.00 56.30 58.01 1sqk h ASN 115 Cb 1.00 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.45 1sqk h ASN 115 CO -0.10 0.84 0.20 -0.09 -0.37 0.00 0.00 177.43 177.91 1sqk h ARG 116 N -0.02 0.68 -0.11 6.67 2.43 -0.56 -1.69 114.38 121.77 1sqk h ARG 116 Ca 0.02 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 1sqk h ARG 116 Cb 0.75 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1sqk h ARG 116 CO 0.04 0.55 -0.53 0.93 -1.51 0.00 0.00 179.97 179.45 1sqk h GLU 117 N 0.67 0.31 -0.01 0.20 5.08 -0.87 -2.51 114.58 117.46 1sqk h GLU 117 Ca 0.17 -0.19 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1sqk h GLU 117 Cb 0.12 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1sqk h GLU 117 CO -0.02 0.77 -0.79 -0.22 -1.00 0.00 0.00 179.01 177.75 1sqk h LYS 118 N 0.24 0.12 -0.55 2.33 1.63 -0.82 -0.62 116.57 118.90 1sqk h LYS 118 Ca 0.01 -0.12 -0.08 0.00 -0.85 0.00 0.00 60.65 59.61 1sqk h LYS 118 Cb 1.02 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 1sqk h LYS 118 CO 0.09 0.85 0.04 0.52 -3.45 0.00 0.00 179.45 177.50 1sqk h MET 119 N 0.07 0.94 -0.43 1.90 2.86 -1.21 -1.51 114.93 117.55 1sqk h MET 119 Ca -0.02 -0.28 -0.10 0.00 -2.06 0.00 0.00 59.70 57.24 1sqk h MET 119 Cb 1.39 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 1sqk h MET 119 CO 0.11 0.93 -0.13 1.15 1.06 0.00 0.00 176.91 180.04 1sqk h THR 120 N 0.82 1.27 -0.44 2.22 2.02 -1.31 -2.35 112.91 115.15 1sqk h THR 120 Ca 0.16 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 66.13 1sqk h THR 120 Cb 0.47 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1sqk h THR 120 CO 0.02 0.42 0.23 -0.61 0.37 0.00 0.00 175.52 175.95 1sqk h GLN 121 N 0.68 0.44 -0.03 6.66 4.15 -0.93 -2.36 115.11 123.73 1sqk h GLN 121 Ca 0.11 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1sqk h GLN 121 Cb 0.67 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 1sqk h GLN 121 CO 0.05 0.29 0.01 0.82 -1.93 0.00 0.00 178.83 178.07 1sqk h ILE 122 N 0.46 1.10 -0.57 2.39 1.08 -1.17 0.73 117.51 121.53 1sqk h ILE 122 Ca 0.19 -0.28 0.07 0.00 -0.39 0.00 0.00 64.86 64.45 1sqk h ILE 122 Cb 0.08 1.24 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 1sqk h ILE 122 CO -0.12 0.08 0.25 0.24 -0.69 0.00 0.00 178.15 177.91 1sqk h MET 123 N -0.08 0.46 0.06 2.37 2.86 -1.28 0.49 114.93 119.82 1sqk h MET 123 Ca 0.01 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1sqk h MET 123 Cb 0.11 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.68 1sqk h MET 123 CO -0.00 0.30 -0.35 0.74 1.06 0.00 0.00 176.91 178.66 1sqk h PHE 124 N 0.47 0.24 0.25 -0.22 0.05 -1.38 -0.40 116.94 115.95 1sqk h PHE 124 Ca 0.27 -0.17 -0.34 0.00 3.82 0.00 0.00 57.97 61.55 1sqk h PHE 124 Cb 0.26 -0.01 0.04 0.00 2.00 0.00 0.00 35.95 38.24 1sqk h PHE 124 CO -0.13 1.13 -1.51 0.93 -0.18 0.00 0.00 178.31 178.55 1sqk h GLU 125 N -0.72 0.53 0.03 1.51 5.08 -0.86 -2.54 114.58 117.61 1sqk h GLU 125 Ca -0.06 -0.91 -0.14 0.00 -1.00 0.00 0.00 59.36 57.25 1sqk h GLU 125 Cb 1.27 0.34 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1sqk h GLU 125 CO 0.07 1.44 -0.73 1.15 -1.00 0.00 0.00 179.01 179.94 1sqk h THR 126 N 0.15 1.34 -0.03 1.13 2.02 -0.16 -3.39 112.91 113.96 1sqk h THR 126 Ca -0.26 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.61 1sqk h THR 126 Cb 2.17 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 71.43 1sqk h THR 126 CO 0.27 0.52 -0.04 0.49 0.37 0.00 0.00 175.52 177.13 1sqk n PHE 127 N -4.41 0.00 -4.27 3.16 3.72 -0.64 -5.00 117.46 110.01 1sqk n PHE 127 Ca -0.21 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.83 1sqk n PHE 127 Cb 0.64 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.13 1sqk n PHE 127 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1sqk n ASN 128 N 1.23 -2.16 -4.77 4.37 3.02 -0.22 -3.80 115.26 112.93 1sqk n ASN 128 Ca 0.14 -1.09 -0.37 0.00 -0.03 0.00 0.00 54.58 53.23 1sqk n ASN 128 Cb 0.59 -2.42 -0.00 0.00 -0.61 0.00 0.00 39.78 37.34 1sqk n ASN 128 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1sqk s VAL 129 N -3.48 3.02 0.19 2.41 -7.23 -0.85 -4.23 120.40 110.23 1sqk s VAL 129 Ca 0.59 0.74 -0.07 0.00 -1.81 0.00 0.00 61.98 61.43 1sqk s VAL 129 Cb -0.33 -3.36 0.03 0.00 0.56 0.00 0.00 36.38 33.27 1sqk s VAL 129 CO 0.95 -0.04 1.60 1.55 -0.31 0.00 0.00 175.10 178.86 1sqk h PRO 130 N 1.83 0.90 -3.97 4.82 0.13 -1.76 -3.41 132.00 130.52 1sqk h PRO 130 Ca -0.50 -0.36 -0.11 0.00 -0.87 0.00 0.00 66.00 64.16 1sqk h PRO 130 Cb 1.26 -0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1sqk h PRO 130 CO 0.59 1.01 -0.41 0.00 -0.23 0.00 0.00 178.00 178.96 1sqk s ALA 131 N -4.68 0.11 0.17 -0.56 0.00 -1.26 -0.97 121.76 114.57 1sqk s ALA 131 Ca -0.10 -0.92 -0.21 0.00 0.00 0.00 0.00 51.96 50.73 1sqk s ALA 131 Cb 0.13 0.71 0.05 0.00 0.00 0.00 0.00 23.12 24.01 1sqk s ALA 131 CO 0.85 -0.56 0.56 1.41 0.00 0.00 0.00 175.76 178.02 1sqk s MET 132 N -3.94 1.29 -0.13 0.00 1.75 0.58 -1.78 119.30 117.07 1sqk s MET 132 Ca 0.14 -0.61 -0.23 0.00 -1.25 0.00 0.00 55.69 53.74 1sqk s MET 132 Cb 0.05 0.56 0.05 0.00 2.84 0.00 0.00 34.83 38.33 1sqk s MET 132 CO -0.04 -0.56 0.56 -0.47 -0.65 0.00 0.00 175.02 173.87 1sqk s TYR 133 N -3.79 -0.56 -0.19 4.11 6.14 -0.48 -1.47 117.35 121.10 1sqk s TYR 133 Ca 0.03 1.19 0.01 0.00 0.64 0.00 0.00 57.07 58.94 1sqk s TYR 133 Cb -0.01 0.26 0.04 0.00 0.42 0.00 0.00 41.96 42.67 1sqk s TYR 133 CO -0.10 -0.42 -0.11 0.08 0.64 0.00 0.00 175.55 175.64 1sqk s VAL 134 N -0.48 1.65 0.19 3.14 1.01 -1.26 0.09 120.40 124.74 1sqk s VAL 134 Ca -0.06 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.07 1sqk s VAL 134 Cb -0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1sqk s VAL 134 CO 0.04 0.23 -0.17 0.00 0.00 0.00 0.00 175.10 175.21 1sqk s ALA 135 N 1.40 2.73 -0.03 5.51 0.00 -0.44 -4.95 121.76 125.98 1sqk s ALA 135 Ca 0.00 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.10 1sqk s ALA 135 Cb -0.16 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1sqk s ALA 135 CO -0.09 0.45 1.10 0.42 0.00 0.00 0.00 175.76 177.64 1sqk s ILE 136 N -1.68 4.48 0.11 0.00 1.01 -1.26 -1.04 121.20 122.82 1sqk s ILE 136 Ca 0.23 1.78 -0.27 0.00 0.00 0.00 0.00 60.65 62.39 1sqk s ILE 136 Cb -0.08 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 1sqk s ILE 136 CO 0.12 0.06 1.45 1.56 0.00 0.00 0.00 174.94 178.14 1sqk h GLN 137 N 7.07 -0.34 -0.77 2.79 4.20 -1.63 -1.83 115.11 124.60 1sqk h GLN 137 Ca -0.37 0.02 0.18 0.00 0.06 0.00 0.00 58.65 58.54 1sqk h GLN 137 Cb 1.18 0.08 -0.13 0.00 0.30 0.00 0.00 27.48 28.91 1sqk h GLN 137 CO 0.83 -0.23 0.02 0.00 -0.67 0.00 0.00 178.83 178.78 1sqk h ALA 138 N -0.30 0.82 -0.99 3.87 0.00 -1.93 0.74 119.26 121.48 1sqk h ALA 138 Ca 0.05 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1sqk h ALA 138 Cb 0.50 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1sqk h ALA 138 CO -0.47 -0.43 0.65 0.28 0.00 0.00 0.00 179.25 179.28 1sqk h VAL 139 N 0.11 1.21 -0.23 0.00 2.07 -1.73 -1.56 116.25 116.11 1sqk h VAL 139 Ca 0.43 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1sqk h VAL 139 Cb 0.76 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1sqk h VAL 139 CO -0.67 0.24 -0.06 -0.07 0.02 0.00 0.00 177.57 177.02 1sqk h LEU 140 N 1.29 0.33 -0.34 2.57 3.38 -0.18 -1.44 115.31 120.93 1sqk h LEU 140 Ca 0.38 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 1sqk h LEU 140 Cb -0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1sqk h LEU 140 CO -0.10 0.44 -0.04 0.28 0.09 0.00 0.00 178.44 179.11 1sqk h SER 141 N 0.34 0.62 -0.57 -0.43 0.02 -0.65 -0.67 113.55 112.21 1sqk h SER 141 Ca 0.07 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1sqk h SER 141 Cb 0.33 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1sqk h SER 141 CO 0.01 0.81 0.31 0.25 -1.14 0.00 0.00 176.83 177.07 1sqk h LEU 142 N 0.41 0.72 -0.54 5.07 5.85 -1.04 -2.13 115.31 123.66 1sqk h LEU 142 Ca 0.09 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1sqk h LEU 142 Cb 0.52 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1sqk h LEU 142 CO 0.03 0.62 0.26 1.88 -0.34 0.00 0.00 178.44 180.89 1sqk h TYR 143 N 0.77 0.48 -0.59 1.25 0.05 -1.07 -1.20 116.97 116.66 1sqk h TYR 143 Ca 0.20 0.02 0.16 0.00 0.05 0.00 0.00 58.73 59.17 1sqk h TYR 143 Cb 0.06 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 1sqk h TYR 143 CO -0.01 0.22 0.42 0.00 -1.05 0.00 0.00 178.16 177.74 1sqk h ALA 144 N 1.30 2.50 -0.03 3.88 0.00 -0.45 0.17 119.26 126.63 1sqk h ALA 144 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1sqk h ALA 144 Cb 0.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sqk h ALA 144 CO -0.18 -0.66 0.00 -1.13 0.00 0.00 0.00 179.25 177.27 1sqk n SER 145 N -4.38 1.10 0.00 0.00 3.41 -0.48 -4.92 113.62 108.35 1sqk n SER 145 Ca 0.11 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 1sqk n SER 145 Cb 0.63 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1sqk n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sqk n GLY 146 N 1.11 0.69 3.26 5.00 0.00 0.58 -5.08 105.19 110.77 1sqk n GLY 146 Ca 0.20 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 1sqk n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqk s ARG 147 N -2.63 1.10 0.00 1.61 0.52 -1.06 -5.02 118.95 113.47 1sqk s ARG 147 Ca 0.00 -1.39 0.00 0.00 -0.52 0.00 0.00 55.73 53.82 1sqk s ARG 147 Cb 0.00 -0.83 0.00 0.00 0.52 0.00 0.00 34.95 34.64 1sqk s ARG 147 CO 0.00 0.14 0.00 0.25 0.02 0.00 0.00 175.30 175.71 1sqk n THR 148 N 0.07 0.00 -4.91 0.02 -2.24 -1.26 -3.42 114.28 102.54 1sqk n THR 148 Ca -0.12 -0.33 -0.26 0.00 -2.27 0.00 0.00 64.05 61.08 1sqk n THR 148 Cb 0.59 0.85 -0.15 0.00 -2.10 0.00 0.00 70.33 69.51 1sqk n THR 148 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sqk s THR 149 N -1.17 1.48 0.00 4.28 2.01 -1.26 0.11 115.64 121.08 1sqk s THR 149 Ca 0.00 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1sqk s THR 149 Cb 0.00 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.28 1sqk s THR 149 CO 0.00 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1sqk n GLY 150 N 2.64 -0.23 2.94 4.40 0.00 0.66 -4.94 105.19 110.65 1sqk n GLY 150 Ca -0.15 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 1sqk n GLY 150 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1sqk s ILE 151 N -1.82 1.20 0.09 -0.61 -1.16 -0.41 0.77 121.20 119.27 1sqk s ILE 151 Ca 0.00 -0.46 -0.06 0.00 -0.51 0.00 0.00 60.65 59.62 1sqk s ILE 151 Cb 0.00 -1.22 -0.05 0.00 0.61 0.00 0.00 42.46 41.80 1sqk s ILE 151 CO 0.00 0.35 0.34 -0.69 -2.81 0.00 0.00 174.94 172.13 1sqk s VAL 152 N 1.63 5.20 -0.33 4.00 1.01 -0.27 -0.95 120.40 130.68 1sqk s VAL 152 Ca 0.04 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1sqk s VAL 152 Cb -0.13 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.73 1sqk s VAL 152 CO -0.09 0.17 0.06 -0.22 0.00 0.00 0.00 175.10 175.03 1sqk s LEU 153 N -2.29 4.02 -0.39 3.92 2.96 -0.21 -0.63 118.68 126.06 1sqk s LEU 153 Ca 0.36 -2.01 -0.11 0.00 -0.22 0.00 0.00 54.13 52.15 1sqk s LEU 153 Cb -0.13 -1.40 0.04 0.00 0.50 0.00 0.00 46.19 45.20 1sqk s LEU 153 CO 0.22 -0.39 0.23 -0.62 -1.32 0.00 0.00 176.35 174.46 1sqk s ASP 154 N 1.11 5.74 -0.27 3.68 -1.08 0.26 -1.68 116.67 124.43 1sqk s ASP 154 Ca 0.11 -1.12 0.01 0.00 -0.52 0.00 0.00 52.55 51.03 1sqk s ASP 154 Cb -0.18 -2.03 0.05 0.00 -1.46 0.00 0.00 42.92 39.30 1sqk s ASP 154 CO -0.13 -0.43 -0.08 -0.55 0.52 0.00 0.00 175.17 174.50 1sqk s SER 155 N 1.72 4.55 0.00 -0.34 0.15 -0.94 0.49 113.70 119.32 1sqk s SER 155 Ca 0.02 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.34 1sqk s SER 155 Cb -0.20 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1sqk s SER 155 CO 0.06 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1sqk n GLY 156 N 4.50 0.93 0.10 9.45 0.00 -0.74 -1.98 105.19 117.45 1sqk n GLY 156 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 1sqk n GLY 156 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sqk n ASP 157 N 0.00 1.92 0.01 1.61 2.03 -1.26 -0.66 116.55 120.20 1sqk n ASP 157 Ca 0.00 0.38 0.04 0.00 0.52 0.00 0.00 54.79 55.73 1sqk n ASP 157 Cb 0.00 -0.80 -0.10 0.00 -0.72 0.00 0.00 41.12 39.50 1sqk n ASP 157 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sqk n GLY 158 N 1.41 -1.16 3.33 0.27 0.00 -1.26 -1.42 105.19 106.36 1sqk n GLY 158 Ca -0.27 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1sqk n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqk s VAL 159 N -3.12 0.08 -0.02 1.61 0.11 -1.26 -4.20 120.40 113.60 1sqk s VAL 159 Ca -0.05 -1.05 0.02 0.00 -2.93 0.00 0.00 61.98 57.97 1sqk s VAL 159 Cb 0.10 -1.51 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1sqk s VAL 159 CO 0.84 -0.37 -0.07 0.28 -3.33 0.00 0.00 175.10 172.45 1sqk s THR 160 N -3.89 0.63 0.12 5.04 -1.32 -0.54 -1.79 115.64 113.89 1sqk s THR 160 Ca 0.09 -0.30 0.06 0.00 -1.21 0.00 0.00 61.69 60.34 1sqk s THR 160 Cb 0.03 -0.56 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 1sqk s THR 160 CO -0.06 0.20 -0.15 -1.00 -2.21 0.00 0.00 174.62 171.40 1sqk s HIS 161 N 0.10 1.46 -0.21 9.09 3.76 0.18 -0.56 115.29 129.11 1sqk s HIS 161 Ca -0.01 -0.52 -0.02 0.00 -0.15 0.00 0.00 55.06 54.35 1sqk s HIS 161 Cb -0.06 -0.77 0.00 0.00 1.11 0.00 0.00 32.58 32.86 1sqk s HIS 161 CO -0.00 0.16 -0.08 -0.80 -0.85 0.00 0.00 174.74 173.17 1sqk s ASN 162 N -2.36 4.00 -0.27 1.40 0.01 0.22 -0.57 114.94 117.37 1sqk s ASN 162 Ca 0.08 -0.49 -0.00 0.00 -0.71 0.00 0.00 52.86 51.74 1sqk s ASN 162 Cb -0.06 -1.67 0.08 0.00 0.41 0.00 0.00 41.25 40.01 1sqk s ASN 162 CO 0.03 -0.02 0.03 -0.69 -1.51 0.00 0.00 177.10 174.94 1sqk s VAL 163 N 1.42 1.20 0.02 1.60 1.01 0.20 -1.91 120.40 123.94 1sqk s VAL 163 Ca 0.05 -1.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 1sqk s VAL 163 Cb -0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1sqk s VAL 163 CO -0.06 -0.38 0.93 -2.16 0.00 0.00 0.00 175.10 173.42 1sqk s PRO 164 N 1.50 4.58 -0.05 2.72 0.04 -1.26 -1.12 135.00 141.40 1sqk s PRO 164 Ca 0.03 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.44 1sqk s PRO 164 Cb -0.18 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1sqk s PRO 164 CO -0.13 0.05 -0.14 0.42 0.04 0.00 0.00 177.00 177.24 1sqk s ILE 165 N 0.65 1.26 -0.11 0.56 1.01 0.23 -0.78 121.20 124.03 1sqk s ILE 165 Ca 0.48 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1sqk s ILE 165 Cb -0.21 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.16 1sqk s ILE 165 CO 0.27 0.38 -0.15 -0.47 0.00 0.00 0.00 174.94 174.97 1sqk s TYR 166 N 0.33 1.96 -1.46 3.97 6.14 -0.64 -0.25 117.35 127.40 1sqk s TYR 166 Ca -0.09 -0.92 -0.13 0.00 0.64 0.00 0.00 57.07 56.57 1sqk s TYR 166 Cb -0.13 -1.42 0.09 0.00 0.42 0.00 0.00 41.96 40.92 1sqk s TYR 166 CO 0.03 -0.48 0.70 0.39 0.64 0.00 0.00 175.55 176.83 1sqk n GLU 167 N 4.23 -3.99 -0.05 4.97 -0.58 -1.12 -1.35 120.64 122.74 1sqk n GLU 167 Ca -0.19 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1sqk n GLU 167 Cb 0.51 -5.28 0.00 0.00 -0.57 0.00 0.00 31.44 26.11 1sqk n GLU 167 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sqk n GLY 168 N -1.38 1.49 3.43 0.62 0.00 0.29 -4.97 105.19 104.67 1sqk n GLY 168 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1sqk n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sqk s TYR 169 N -2.57 2.98 0.56 1.61 1.51 -0.46 -5.08 117.35 115.90 1sqk s TYR 169 Ca 0.00 -0.52 -0.20 0.00 -1.01 0.00 0.00 57.07 55.34 1sqk s TYR 169 Cb 0.00 -2.01 -0.05 0.00 -0.11 0.00 0.00 41.96 39.79 1sqk s TYR 169 CO 0.00 -0.23 1.19 0.00 -1.11 0.00 0.00 175.55 175.40 1sqk s ALA 170 N 0.78 2.67 -0.87 3.71 0.00 -1.26 -1.63 121.76 125.16 1sqk s ALA 170 Ca -0.02 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 1sqk s ALA 170 Cb -0.15 -3.42 0.22 0.00 0.00 0.00 0.00 23.12 19.77 1sqk s ALA 170 CO 0.02 -0.98 0.77 -0.51 0.00 0.00 0.00 175.76 175.05 1sqk s LEU 171 N -3.80 5.85 0.36 0.00 1.43 0.04 -4.90 118.68 117.66 1sqk s LEU 171 Ca 0.74 -3.33 0.17 0.00 -1.03 0.00 0.00 54.13 50.68 1sqk s LEU 171 Cb -0.29 -2.01 1.18 0.00 0.03 0.00 0.00 46.19 45.10 1sqk s LEU 171 CO 0.32 -0.31 1.64 1.55 0.23 0.00 0.00 176.35 179.78 1sqk h PRO 172 N 6.67 0.23 0.00 1.29 0.13 -1.93 0.13 132.00 138.51 1sqk h PRO 172 Ca 0.12 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1sqk h PRO 172 Cb 0.89 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1sqk h PRO 172 CO 0.84 0.15 -0.07 1.12 -0.23 0.00 0.00 178.00 179.80 1sqk h HIS 173 N 0.23 0.00 -0.02 1.56 2.07 -1.98 -2.76 115.15 114.26 1sqk h HIS 173 Ca 0.77 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.29 1sqk h HIS 173 Cb 1.87 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.85 1sqk h HIS 173 CO -0.01 0.07 -0.04 0.00 -3.07 0.00 0.00 177.93 174.88 1sqk n ALA 174 N -2.16 2.55 -2.00 6.11 0.00 0.02 -4.98 120.51 120.05 1sqk n ALA 174 Ca -0.01 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.37 1sqk n ALA 174 Cb 0.27 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1sqk n ALA 174 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sqk s ILE 175 N -1.70 3.01 -0.03 0.00 1.01 -1.04 -4.51 121.20 117.93 1sqk s ILE 175 Ca 0.22 0.79 0.04 0.00 0.00 0.00 0.00 60.65 61.70 1sqk s ILE 175 Cb 0.16 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 1sqk s ILE 175 CO 0.27 0.10 -0.14 -0.32 0.00 0.00 0.00 174.94 174.85 1sqk s MET 176 N 0.28 2.45 -0.02 2.79 1.75 -0.80 -4.98 119.30 120.77 1sqk s MET 176 Ca 0.61 -0.74 0.06 0.00 -1.25 0.00 0.00 55.69 54.37 1sqk s MET 176 Cb -0.39 -2.36 -0.01 0.00 2.84 0.00 0.00 34.83 34.90 1sqk s MET 176 CO 0.37 0.61 -0.18 0.50 -0.65 0.00 0.00 175.02 175.66 1sqk s ARG 177 N -0.91 1.49 -0.15 4.11 3.52 -1.26 -0.61 118.95 125.15 1sqk s ARG 177 Ca 0.13 -0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 55.06 1sqk s ARG 177 Cb -0.11 -1.44 0.04 0.00 -1.56 0.00 0.00 34.95 31.89 1sqk s ARG 177 CO 0.02 0.39 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.70 1sqk s LEU 178 N -0.41 1.26 -1.41 -0.88 2.96 0.27 -5.02 118.68 115.46 1sqk s LEU 178 Ca 0.07 -0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 53.29 1sqk s LEU 178 Cb -0.07 -0.74 0.06 0.00 0.50 0.00 0.00 46.19 45.94 1sqk s LEU 178 CO -0.01 -0.21 2.09 0.47 -1.32 0.00 0.00 176.35 177.38 1sqk n ASP 179 N 4.98 4.20 -3.54 3.68 9.92 -1.26 -1.47 116.55 133.06 1sqk n ASP 179 Ca -0.10 -2.88 -0.01 0.00 -0.53 0.00 0.00 54.79 51.27 1sqk n ASP 179 Cb 0.48 -1.66 -0.05 0.00 -0.64 0.00 0.00 41.12 39.25 1sqk n ASP 179 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1sqk s LEU 180 N 2.38 -0.60 0.00 0.64 0.20 -1.26 -5.01 118.68 115.04 1sqk s LEU 180 Ca 0.48 0.88 0.00 0.00 0.69 0.00 0.00 54.13 56.18 1sqk s LEU 180 Cb 0.11 1.77 0.00 0.00 -0.43 0.00 0.00 46.19 47.64 1sqk s LEU 180 CO -0.05 -0.13 0.00 0.00 -0.29 0.00 0.00 176.35 175.88 1sqk n ALA 181 N 4.38 0.00 -0.26 5.97 0.00 -1.26 -3.86 120.51 125.49 1sqk n ALA 181 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.37 1sqk n ALA 181 Cb 0.55 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.20 1sqk n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sqk h GLY 182 N 0.00 1.11 0.58 0.00 0.00 -0.87 -1.34 103.07 102.55 1sqk h GLY 182 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.34 1sqk h GLY 182 CO 0.00 -0.20 0.36 -0.09 0.00 0.00 0.00 176.54 176.61 1sqk h ARG 183 N 0.31 0.62 -0.04 4.80 2.43 -1.46 -0.81 114.38 120.22 1sqk h ARG 183 Ca 0.44 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.46 1sqk h ARG 183 Cb 0.75 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1sqk h ARG 183 CO -0.50 0.41 -0.48 -0.44 -1.51 0.00 0.00 179.97 177.44 1sqk h ASP 184 N 0.64 0.11 -0.42 -3.80 5.19 -1.47 -1.39 116.42 115.28 1sqk h ASP 184 Ca 0.32 -0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.58 1sqk h ASP 184 Cb 0.27 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 1sqk h ASP 184 CO -0.22 0.58 -0.11 -0.07 -3.12 0.00 0.00 179.24 176.30 1sqk h LEU 185 N 0.08 0.87 -0.28 1.55 4.07 -0.54 -0.65 115.31 120.42 1sqk h LEU 185 Ca 0.00 -0.27 -0.09 0.00 0.08 0.00 0.00 57.88 57.61 1sqk h LEU 185 Cb 0.89 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 1sqk h LEU 185 CO 0.07 0.99 -0.16 0.74 -1.08 0.00 0.00 178.44 179.01 1sqk h THR 186 N 0.79 1.30 -0.30 0.22 2.02 -0.81 -1.85 112.91 114.28 1sqk h THR 186 Ca 0.13 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1sqk h THR 186 Cb 0.62 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1sqk h THR 186 CO 0.04 0.40 0.10 0.44 0.37 0.00 0.00 175.52 176.87 1sqk h ASP 187 N 0.35 0.38 -0.04 4.18 3.45 -1.08 0.15 116.42 123.82 1sqk h ASP 187 Ca 0.06 -0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 1sqk h ASP 187 Cb 0.68 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1sqk h ASP 187 CO 0.05 0.37 -0.06 0.22 -1.57 0.00 0.00 179.24 178.24 1sqk h TYR 188 N 0.43 0.14 -0.58 4.55 3.20 -0.97 -1.66 116.97 122.08 1sqk h TYR 188 Ca 0.11 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1sqk h TYR 188 Cb 0.12 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1sqk h TYR 188 CO 0.00 0.63 0.18 1.25 -1.64 0.00 0.00 178.16 178.58 1sqk h LEU 189 N -0.39 0.80 -0.73 2.82 5.85 -1.04 -2.11 115.31 120.50 1sqk h LEU 189 Ca 0.00 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1sqk h LEU 189 Cb 0.61 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1sqk h LEU 189 CO 0.01 0.76 0.41 -0.03 -0.34 0.00 0.00 178.44 179.25 1sqk h MET 190 N 0.84 1.02 0.59 1.25 4.05 -0.66 -0.85 114.93 121.18 1sqk h MET 190 Ca 0.19 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1sqk h MET 190 Cb 0.25 -0.20 0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1sqk h MET 190 CO -0.01 0.76 -0.29 -0.22 0.23 0.00 0.00 176.91 177.38 1sqk h LYS 191 N 1.01 -0.77 -0.74 0.39 3.64 -0.73 0.09 116.57 119.47 1sqk h LYS 191 Ca 0.26 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1sqk h LYS 191 Cb 0.03 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1sqk h LYS 191 CO -0.04 -0.49 0.46 -0.84 -2.27 0.00 0.00 179.45 176.26 1sqk h ILE 192 N -0.86 1.20 -0.57 2.00 3.07 -1.27 -1.71 117.51 119.37 1sqk h ILE 192 Ca -0.08 -0.42 -0.11 0.00 1.55 0.00 0.00 64.86 65.80 1sqk h ILE 192 Cb 0.63 0.15 -0.02 0.00 -0.27 0.00 0.00 36.82 37.31 1sqk h ILE 192 CO 0.13 0.21 -0.06 -0.07 -1.05 0.00 0.00 178.15 177.31 1sqk h LEU 193 N 1.01 1.04 -1.28 0.16 3.38 -0.99 -1.55 115.31 117.08 1sqk h LEU 193 Ca 0.27 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1sqk h LEU 193 Cb -0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1sqk h LEU 193 CO -0.05 1.12 -0.17 0.74 0.09 0.00 0.00 178.44 180.16 1sqk h THR 194 N 0.94 1.21 -0.17 0.22 2.02 -0.41 -2.11 112.91 114.61 1sqk h THR 194 Ca 0.15 -0.94 -0.12 0.00 0.77 0.00 0.00 66.41 66.28 1sqk h THR 194 Cb 0.63 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1sqk h THR 194 CO 0.04 0.29 -0.40 -0.33 0.37 0.00 0.00 175.52 175.49 1sqk h GLU 195 N 0.26 0.39 0.00 6.66 5.08 -0.85 -2.08 114.58 124.03 1sqk h GLU 195 Ca 0.05 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1sqk h GLU 195 Cb 0.46 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1sqk h GLU 195 CO 0.03 0.73 0.00 0.54 -1.00 0.00 0.00 179.01 179.31 1sqk n ARG 196 N -4.03 0.54 0.00 2.33 1.74 -0.63 -4.85 116.66 111.77 1sqk n ARG 196 Ca -0.01 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1sqk n ARG 196 Cb 0.49 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1sqk n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqk n GLY 197 N 0.38 1.01 3.62 -0.13 0.00 -0.78 -5.09 105.19 104.20 1sqk n GLY 197 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1sqk n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sqk s TYR 198 N -2.03 3.28 -0.40 1.61 1.51 -0.94 -4.99 117.35 115.40 1sqk s TYR 198 Ca 0.00 0.60 -0.29 0.00 -1.01 0.00 0.00 57.07 56.37 1sqk s TYR 198 Cb 0.00 -2.66 0.01 0.00 -0.11 0.00 0.00 41.96 39.19 1sqk s TYR 198 CO 0.00 -0.22 1.40 0.45 -1.11 0.00 0.00 175.55 176.06 1sqk s SER 199 N 1.47 6.39 -0.31 2.29 0.15 -1.26 -2.98 113.70 119.43 1sqk s SER 199 Ca 0.20 0.88 -0.00 0.00 0.70 0.00 0.00 55.95 57.73 1sqk s SER 199 Cb -0.16 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.71 1sqk s SER 199 CO 0.09 -1.38 0.09 -0.36 1.20 0.00 0.00 173.24 172.88 1sqk s PHE 200 N 5.27 2.02 0.07 3.44 0.40 -1.26 -4.98 117.98 122.95 1sqk s PHE 200 Ca 0.60 -1.93 0.00 0.00 -0.60 0.00 0.00 56.93 55.00 1sqk s PHE 200 Cb -0.14 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.49 1sqk s PHE 200 CO 0.31 -0.89 0.00 0.28 0.70 0.00 0.00 175.22 175.62 1sqk n VAL 201 N 4.76 0.46 -0.78 -0.44 0.31 -1.26 -4.87 118.33 116.50 1sqk n VAL 201 Ca -0.01 0.15 -0.33 0.00 -0.01 0.00 0.00 64.34 64.14 1sqk n VAL 201 Cb 0.42 -1.04 0.13 0.00 -0.91 0.00 0.00 33.84 32.44 1sqk n VAL 201 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1sqk n THR 202 N -2.98 0.00 0.07 2.52 -2.24 -1.26 -4.68 114.28 105.71 1sqk n THR 202 Ca 0.00 -0.20 -0.03 0.00 -2.27 0.00 0.00 64.05 61.55 1sqk n THR 202 Cb 0.00 -0.62 0.20 0.00 -2.10 0.00 0.00 70.33 67.81 1sqk n THR 202 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1sqk h THR 203 N -1.63 1.30 0.64 4.28 1.35 -1.98 -0.05 112.91 116.82 1sqk h THR 203 Ca -0.45 -1.50 -0.02 0.00 -0.55 0.00 0.00 66.41 63.89 1sqk h THR 203 Cb 1.29 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.32 1sqk h THR 203 CO 0.35 0.45 -0.48 0.00 -0.25 0.00 0.00 175.52 175.59 1sqk h ALA 204 N 1.32 -1.16 -0.92 6.62 0.00 -2.01 -2.59 119.26 120.53 1sqk h ALA 204 Ca 0.03 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1sqk h ALA 204 Cb 0.81 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 19.15 1sqk h ALA 204 CO 0.06 -1.18 0.54 0.93 0.00 0.00 0.00 179.25 179.61 1sqk h GLU 205 N -1.08 0.81 -0.82 0.00 5.08 -1.83 -1.10 114.58 115.63 1sqk h GLU 205 Ca -0.08 -0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.42 1sqk h GLU 205 Cb 0.90 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1sqk h GLU 205 CO 0.03 0.54 0.56 -0.09 -1.00 0.00 0.00 179.01 179.04 1sqk h ARG 206 N 0.83 0.30 0.00 2.33 2.43 -0.63 0.45 114.38 120.09 1sqk h ARG 206 Ca 0.47 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.61 1sqk h ARG 206 Cb 0.52 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1sqk h ARG 206 CO -0.29 0.20 -0.03 0.93 -1.51 0.00 0.00 179.97 179.27 1sqk h GLU 207 N 0.30 0.00 -0.08 0.20 4.39 -0.92 -0.76 114.58 117.71 1sqk h GLU 207 Ca 0.41 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.06 1sqk h GLU 207 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1sqk h GLU 207 CO -0.12 0.03 -0.16 0.82 -1.16 0.00 0.00 179.01 178.42 1sqk h ILE 208 N 0.00 1.40 -0.30 3.13 1.08 -0.21 -2.71 117.51 119.90 1sqk h ILE 208 Ca -0.00 -1.44 -0.00 0.00 -0.39 0.00 0.00 64.86 63.02 1sqk h ILE 208 Cb 0.12 2.15 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 1sqk h ILE 208 CO 0.00 0.41 0.18 0.58 -0.69 0.00 0.00 178.15 178.63 1sqk h VAL 209 N -0.21 1.11 -0.68 1.67 2.07 -1.28 -1.61 116.25 117.32 1sqk h VAL 209 Ca 0.00 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.37 1sqk h VAL 209 Cb 0.74 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 1sqk h VAL 209 CO 0.04 0.11 0.25 -0.09 0.02 0.00 0.00 177.57 177.90 1sqk h ARG 210 N 0.38 0.40 -0.43 1.57 2.43 -1.19 0.40 114.38 117.93 1sqk h ARG 210 Ca 0.11 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1sqk h ARG 210 Cb 0.03 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1sqk h ARG 210 CO -0.02 0.27 0.04 0.22 -1.51 0.00 0.00 179.97 178.97 1sqk h ASP 211 N 0.41 0.64 -0.41 -3.80 1.82 -1.13 -1.00 116.42 112.96 1sqk h ASP 211 Ca 0.36 -0.13 -0.04 0.00 -0.39 0.00 0.00 57.03 56.83 1sqk h ASP 211 Cb 0.50 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 1sqk h ASP 211 CO -0.36 0.69 0.12 0.40 -1.61 0.00 0.00 179.24 178.47 1sqk h ILE 212 N 0.65 1.22 0.30 2.25 2.04 0.24 -2.31 117.51 121.90 1sqk h ILE 212 Ca 0.14 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1sqk h ILE 212 Cb 0.35 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1sqk h ILE 212 CO 0.01 0.26 -0.51 0.50 0.00 0.00 0.00 178.15 178.41 1sqk h LYS 213 N 0.52 -0.83 -0.45 2.37 3.64 0.47 0.29 116.57 122.59 1sqk h LYS 213 Ca 0.13 0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1sqk h LYS 213 Cb 0.29 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1sqk h LYS 213 CO -0.00 -0.56 0.30 0.93 -2.27 0.00 0.00 179.45 177.85 1sqk h GLU 214 N -0.87 0.44 0.00 1.90 5.08 -1.17 -1.24 114.58 118.72 1sqk h GLU 214 Ca -0.03 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.10 1sqk h GLU 214 Cb 0.81 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1sqk h GLU 214 CO -0.18 0.29 -1.51 1.63 -1.00 0.00 0.00 179.01 178.24 1sqk n LYS 215 N -4.48 0.62 -0.00 2.33 5.02 -0.88 -4.62 118.16 116.15 1sqk n LYS 215 Ca 0.05 0.24 0.02 0.00 -2.02 0.00 0.00 58.31 56.60 1sqk n LYS 215 Cb 0.18 -1.80 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 1sqk n LYS 215 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sqk n LEU 216 N -2.93 0.00 -4.81 -0.35 4.32 0.07 -5.05 117.00 108.25 1sqk n LEU 216 Ca -0.12 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.53 1sqk n LEU 216 Cb 0.90 0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 42.65 1sqk n LEU 216 CO 0.43 0.01 0.68 0.00 -1.22 0.00 0.00 177.39 177.29 1sqk s TYR 218 N -2.01 -0.15 -0.11 0.00 -0.85 -0.97 -4.42 117.35 108.83 1sqk s TYR 218 Ca 0.62 -0.17 -0.12 0.00 -0.52 0.00 0.00 57.07 56.87 1sqk s TYR 218 Cb -0.13 0.31 -0.05 0.00 0.38 0.00 0.00 41.96 42.47 1sqk s TYR 218 CO 0.17 -0.80 0.28 0.08 -1.52 0.00 0.00 175.55 173.76 1sqk s VAL 219 N -3.84 5.29 0.12 -3.49 1.01 0.07 -4.05 120.40 115.51 1sqk s VAL 219 Ca 0.06 0.52 -0.16 0.00 0.00 0.00 0.00 61.98 62.40 1sqk s VAL 219 Cb 0.01 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1sqk s VAL 219 CO -0.08 0.49 0.56 0.00 0.00 0.00 0.00 175.10 176.08 1sqk s ALA 220 N -0.27 3.58 0.30 5.51 0.00 -1.26 -4.39 121.76 125.23 1sqk s ALA 220 Ca 0.17 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.15 1sqk s ALA 220 Cb -0.14 -2.57 0.49 0.00 0.00 0.00 0.00 23.12 20.90 1sqk s ALA 220 CO 0.06 0.43 1.71 1.25 0.00 0.00 0.00 175.76 179.21 1sqk h LEU 221 N 3.94 0.20 -6.69 0.00 5.85 -1.97 -3.39 115.31 113.26 1sqk h LEU 221 Ca -0.49 -0.08 -0.41 0.00 0.84 0.00 0.00 57.88 57.74 1sqk h LEU 221 Cb 1.20 -0.06 -0.37 0.00 0.37 0.00 0.00 40.66 41.81 1sqk h LEU 221 CO 0.65 0.60 -0.70 -0.62 -0.34 0.00 0.00 178.44 178.03 1sqk s ASP 222 N -6.88 2.36 0.27 1.25 3.68 -1.26 -4.93 116.67 111.16 1sqk s ASP 222 Ca -0.04 -0.85 0.00 0.00 2.13 0.00 0.00 52.55 53.79 1sqk s ASP 222 Cb 0.13 0.12 0.60 0.00 -1.45 0.00 0.00 42.92 42.33 1sqk s ASP 222 CO 0.76 -0.39 1.72 0.15 0.13 0.00 0.00 175.17 177.54 1sqk h PHE 223 N 8.34 0.62 -0.31 -5.34 3.57 -1.99 -1.03 116.94 120.80 1sqk h PHE 223 Ca -0.16 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.28 1sqk h PHE 223 Cb 1.07 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1sqk h PHE 223 CO 0.25 0.03 -0.16 0.93 -2.23 0.00 0.00 178.31 177.13 1sqk h GLU 224 N 0.46 0.65 -0.34 1.11 5.08 -1.98 0.92 114.58 120.48 1sqk h GLU 224 Ca 0.49 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1sqk h GLU 224 Cb 0.84 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1sqk h GLU 224 CO -0.46 0.88 0.14 -0.97 -1.00 0.00 0.00 179.01 177.60 1sqk h ASN 225 N 0.41 0.47 -0.80 1.42 -1.24 -1.85 -1.69 115.58 112.30 1sqk h ASN 225 Ca 0.07 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 56.88 1sqk h ASN 225 Cb 0.69 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.58 1sqk h ASN 225 CO 0.05 0.50 0.36 -0.08 -1.29 0.00 0.00 177.43 176.97 1sqk h GLU 226 N 0.41 1.16 -0.94 6.67 4.57 -1.17 -1.78 114.58 123.50 1sqk h GLU 226 Ca 0.12 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1sqk h GLU 226 Cb 0.17 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.51 1sqk h GLU 226 CO -0.01 0.91 0.56 1.98 -1.18 0.00 0.00 179.01 181.27 1sqk h MET 227 N 1.14 1.28 -0.28 1.92 4.05 -0.56 -1.68 114.93 120.79 1sqk h MET 227 Ca 0.27 -0.12 -0.18 0.00 -0.28 0.00 0.00 59.70 59.39 1sqk h MET 227 Cb 0.15 -0.27 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1sqk h MET 227 CO -0.03 0.90 -0.53 0.00 0.23 0.00 0.00 176.91 177.48 1sqk h ALA 228 N 1.31 0.44 -0.51 0.39 0.00 -0.88 -2.53 119.26 117.47 1sqk h ALA 228 Ca 0.34 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1sqk h ALA 228 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1sqk h ALA 228 CO -0.06 0.64 0.32 1.15 0.00 0.00 0.00 179.25 181.30 1sqk h THR 229 N 0.63 1.08 -0.39 0.00 2.02 -1.07 -0.77 112.91 114.41 1sqk h THR 229 Ca 0.01 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1sqk h THR 229 Cb 1.14 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1sqk h THR 229 CO 0.12 0.12 0.16 0.00 0.37 0.00 0.00 175.52 176.29 1sqk h ALA 230 N 1.21 1.55 0.00 6.16 0.00 -1.25 -0.61 119.26 126.33 1sqk h ALA 230 Ca 0.20 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1sqk h ALA 230 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1sqk h ALA 230 CO -0.07 0.35 -0.24 0.00 0.00 0.00 0.00 179.25 179.29 1sqk h ALA 231 N 1.63 0.86 -0.11 0.00 0.00 -0.91 -3.33 119.26 117.40 1sqk h ALA 231 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sqk h ALA 231 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sqk h ALA 231 CO -0.01 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 1sqk n SER 232 N -3.18 2.06 -3.10 0.00 3.41 -0.37 -5.04 113.62 107.40 1sqk n SER 232 Ca 0.03 -1.65 -0.12 0.00 -0.26 0.00 0.00 58.87 56.86 1sqk n SER 232 Cb 0.60 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1sqk n SER 232 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1sqk s SER 233 N -0.78 0.54 -0.01 4.04 0.15 -0.27 -5.04 113.70 112.33 1sqk s SER 233 Ca 0.11 -1.35 0.02 0.00 0.70 0.00 0.00 55.95 55.43 1sqk s SER 233 Cb 0.06 0.75 0.03 0.00 -1.71 0.00 0.00 66.02 65.15 1sqk s SER 233 CO 0.09 -1.47 0.86 -1.54 1.20 0.00 0.00 173.24 172.38 1sqk n SER 234 N -1.42 1.27 0.12 5.45 3.41 -1.26 -4.62 113.62 116.57 1sqk n SER 234 Ca -0.03 -1.80 0.11 0.00 -0.26 0.00 0.00 58.87 56.89 1sqk n SER 234 Cb 0.61 -0.06 0.49 0.00 -0.26 0.00 0.00 64.21 64.98 1sqk n SER 234 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1sqk n SER 235 N -0.41 0.57 -1.27 4.04 3.41 -1.26 -2.17 113.62 116.53 1sqk n SER 235 Ca 0.02 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1sqk n SER 235 Cb 0.40 -0.78 0.27 0.00 -0.26 0.00 0.00 64.21 63.84 1sqk n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sqk n LEU 236 N -2.16 3.73 -4.73 1.04 4.32 -1.26 -4.97 117.00 112.96 1sqk n LEU 236 Ca 0.01 -1.73 -0.40 0.00 -0.02 0.00 0.00 56.01 53.87 1sqk n LEU 236 Cb 0.16 -0.37 -0.05 0.00 -1.62 0.00 0.00 43.42 41.55 1sqk n LEU 236 CO 0.16 0.87 0.48 -1.61 -1.22 0.00 0.00 177.39 176.06 1sqk s GLU 237 N -1.27 4.49 0.13 3.23 2.02 -0.92 -4.55 118.70 121.83 1sqk s GLU 237 Ca 0.44 1.07 0.08 0.00 0.02 0.00 0.00 54.97 56.58 1sqk s GLU 237 Cb 0.24 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1sqk s GLU 237 CO 0.33 0.17 -0.19 0.15 0.02 0.00 0.00 175.26 175.74 1sqk s LYS 238 N 0.36 1.16 0.09 1.61 -0.14 -0.21 -4.96 119.74 117.66 1sqk s LYS 238 Ca 0.40 -1.26 0.08 0.00 -1.36 0.00 0.00 55.97 53.83 1sqk s LYS 238 Cb -0.20 -1.28 -0.04 0.00 -1.68 0.00 0.00 37.83 34.63 1sqk s LYS 238 CO 0.22 0.28 -0.18 -1.12 -0.76 0.00 0.00 175.35 173.79 1sqk s SER 239 N -2.28 3.86 -0.02 2.83 0.01 -1.26 -0.48 113.70 116.37 1sqk s SER 239 Ca 0.10 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.85 1sqk s SER 239 Cb -0.08 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.60 1sqk s SER 239 CO 0.05 0.20 -0.02 -0.47 0.41 0.00 0.00 173.24 173.41 1sqk s TYR 240 N -1.08 0.34 -0.27 2.43 5.04 0.03 -5.00 117.35 118.84 1sqk s TYR 240 Ca 0.17 -0.04 -0.15 0.00 -2.44 0.00 0.00 57.07 54.60 1sqk s TYR 240 Cb -0.11 -0.31 -0.03 0.00 0.35 0.00 0.00 41.96 41.86 1sqk s TYR 240 CO 0.09 -0.07 0.40 -2.00 -1.34 0.00 0.00 175.55 172.63 1sqk s GLU 241 N 0.42 4.02 0.72 4.97 2.12 -1.26 -2.01 118.70 127.68 1sqk s GLU 241 Ca -0.04 0.09 -0.11 0.00 0.36 0.00 0.00 54.97 55.27 1sqk s GLU 241 Cb -0.07 -3.66 0.03 0.00 0.26 0.00 0.00 34.13 30.69 1sqk s GLU 241 CO -0.01 -0.30 1.07 -0.51 -0.54 0.00 0.00 175.26 174.98 1sqk s LEU 242 N 2.12 3.11 0.41 2.70 1.43 0.92 -4.92 118.68 124.44 1sqk s LEU 242 Ca 0.16 1.71 0.29 0.00 -1.03 0.00 0.00 54.13 55.26 1sqk s LEU 242 Cb -0.16 -4.51 1.39 0.00 0.03 0.00 0.00 46.19 42.94 1sqk s LEU 242 CO 0.10 -1.67 1.87 1.55 0.23 0.00 0.00 176.35 178.42 1sqk h PRO 243 N -0.84 0.00 -0.40 1.29 0.13 -1.98 -1.44 132.00 128.76 1sqk h PRO 243 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1sqk h PRO 243 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1sqk h PRO 243 CO 0.55 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 1sqk n ASP 244 N -2.55 2.33 0.00 1.44 3.85 -1.26 -4.92 116.55 115.45 1sqk n ASP 244 Ca -0.00 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.12 1sqk n ASP 244 Cb 0.15 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 1sqk n ASP 244 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sqk n GLY 245 N 1.21 2.36 3.76 6.12 0.00 -0.54 -5.05 105.19 113.05 1sqk n GLY 245 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1sqk n GLY 245 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sqk s GLN 246 N -0.60 3.00 -0.73 1.61 -0.21 -1.26 -4.73 119.66 116.74 1sqk s GLN 246 Ca 0.00 1.66 0.04 0.00 0.02 0.00 0.00 55.36 57.08 1sqk s GLN 246 Cb 0.00 -1.95 0.20 0.00 1.00 0.00 0.00 33.01 32.25 1sqk s GLN 246 CO 0.00 -1.15 0.61 0.28 -2.12 0.00 0.00 175.29 172.92 1sqk n VAL 247 N -1.76 2.08 -2.09 1.09 0.31 -1.26 -0.06 118.33 116.64 1sqk n VAL 247 Ca 0.12 -5.00 -0.41 0.00 -0.01 0.00 0.00 64.34 59.04 1sqk n VAL 247 Cb 0.51 -2.20 -0.02 0.00 -0.91 0.00 0.00 33.84 31.21 1sqk n VAL 247 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1sqk s ILE 248 N -1.70 2.80 0.04 2.52 1.10 -0.85 -4.78 121.20 120.34 1sqk s ILE 248 Ca 0.28 0.71 0.08 0.00 -0.51 0.00 0.00 60.65 61.22 1sqk s ILE 248 Cb -0.01 -3.45 -0.03 0.00 0.15 0.00 0.00 42.46 39.13 1sqk s ILE 248 CO -0.13 0.13 -0.24 0.28 -2.11 0.00 0.00 174.94 172.87 1sqk s THR 249 N -0.33 1.92 0.12 4.00 -1.32 -1.26 -0.79 115.64 117.98 1sqk s THR 249 Ca 0.55 -1.27 0.05 0.00 -1.21 0.00 0.00 61.69 59.81 1sqk s THR 249 Cb -0.40 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 68.90 1sqk s THR 249 CO 0.45 0.32 -0.12 0.27 -2.21 0.00 0.00 174.62 173.33 1sqk s ILE 250 N -0.77 1.15 0.00 5.08 -4.36 0.37 -4.96 121.20 117.70 1sqk s ILE 250 Ca 0.10 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 1sqk s ILE 250 Cb -0.09 -1.53 0.00 0.00 1.25 0.00 0.00 42.46 42.09 1sqk s ILE 250 CO 0.02 -0.54 0.00 0.61 0.24 0.00 0.00 174.94 175.27 1sqk n GLY 251 N 0.40 0.87 0.28 6.27 0.00 -1.26 -1.04 105.19 110.71 1sqk n GLY 251 Ca -0.15 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 45.99 1sqk n GLY 251 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1sqk h ASN 252 N 0.00 0.00 0.61 1.61 7.08 -1.91 -1.34 115.58 121.63 1sqk h ASN 252 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1sqk h ASN 252 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1sqk h ASN 252 CO 0.00 0.05 0.00 -1.84 -2.08 0.00 0.00 177.43 173.56 1sqk n GLU 253 N -3.25 0.16 -0.18 4.14 0.00 -1.26 -0.35 120.64 119.91 1sqk n GLU 253 Ca -0.01 0.43 -0.09 0.00 0.00 0.00 0.00 57.16 57.49 1sqk n GLU 253 Cb 0.25 -1.83 0.01 0.00 0.00 0.00 0.00 31.44 29.87 1sqk n GLU 253 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1sqk h ARG 254 N 0.00 0.78 0.00 3.44 2.43 -1.57 -2.95 114.38 116.51 1sqk h ARG 254 Ca 0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1sqk h ARG 254 Cb 0.30 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1sqk h ARG 254 CO 0.00 0.73 -0.84 1.97 -1.51 0.00 0.00 179.97 180.32 1sqk n PHE 255 N -4.49 0.00 -0.08 2.20 1.16 -0.91 -2.29 117.46 113.04 1sqk n PHE 255 Ca 0.02 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.50 1sqk n PHE 255 Cb 0.20 -0.06 0.05 0.00 -1.61 0.00 0.00 39.48 38.05 1sqk n PHE 255 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1sqk h ARG 256 N 0.00 0.78 0.35 3.97 3.08 -0.73 -2.29 114.38 119.54 1sqk h ARG 256 Ca 0.00 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 1sqk h ARG 256 Cb 0.38 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1sqk h ARG 256 CO 0.00 1.00 -0.35 0.00 -1.07 0.00 0.00 179.97 179.55 1sqk h PRO 258 N -0.73 0.00 -0.98 0.00 0.11 -1.79 -2.90 132.00 125.71 1sqk h PRO 258 Ca -0.02 0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.37 1sqk h PRO 258 Cb 0.66 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.73 1sqk h PRO 258 CO -0.07 0.37 0.94 1.49 -0.21 0.00 0.00 178.00 180.51 1sqk h GLU 259 N 0.00 0.00 -0.87 1.05 4.57 -0.99 0.25 114.58 118.59 1sqk h GLU 259 Ca -0.00 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.29 1sqk h GLU 259 Cb 0.68 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.20 1sqk h GLU 259 CO 0.05 0.00 0.56 1.15 -1.18 0.00 0.00 179.01 179.59 1sqk h THR 260 N 0.00 0.91 -0.08 0.32 2.02 -1.55 0.10 112.91 114.63 1sqk h THR 260 Ca 0.46 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 67.39 1sqk h THR 260 Cb 2.33 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1sqk h THR 260 CO -0.00 0.14 0.06 -0.07 0.37 0.00 0.00 175.52 176.01 1sqk h LEU 261 N 0.78 0.04 0.00 2.58 3.38 -0.75 -0.90 115.31 120.45 1sqk h LEU 261 Ca 0.42 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.25 1sqk h LEU 261 Cb 0.54 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1sqk h LEU 261 CO -0.18 0.03 -1.73 0.49 0.09 0.00 0.00 178.44 177.14 1sqk n PHE 262 N -4.52 0.51 -3.48 1.13 3.72 -0.34 -1.09 117.46 113.38 1sqk n PHE 262 Ca -0.01 0.16 -0.28 0.00 -0.05 0.00 0.00 57.45 57.27 1sqk n PHE 262 Cb 0.13 -0.89 -0.11 0.00 -0.94 0.00 0.00 39.48 37.67 1sqk n PHE 262 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1sqk s GLN 263 N -3.06 1.03 0.64 -1.08 -0.21 0.21 -4.19 119.66 113.01 1sqk s GLN 263 Ca -0.05 -2.08 0.33 0.00 0.02 0.00 0.00 55.36 53.57 1sqk s GLN 263 Cb 0.10 -1.68 1.82 0.00 1.00 0.00 0.00 33.01 34.25 1sqk s GLN 263 CO 0.84 -1.33 2.07 -1.35 -2.12 0.00 0.00 175.29 173.40 1sqk h PRO 264 N 5.96 0.00 0.00 2.91 0.11 -1.43 -2.12 132.00 137.43 1sqk h PRO 264 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1sqk h PRO 264 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1sqk h PRO 264 CO 0.40 0.00 0.08 0.66 -0.21 0.00 0.00 178.00 178.93 1sqk h SER 265 N 0.00 0.00 0.23 -2.05 4.64 -1.74 0.19 113.55 114.81 1sqk h SER 265 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1sqk h SER 265 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1sqk h SER 265 CO -0.00 0.00 -0.04 -0.26 -0.87 0.00 0.00 176.83 175.66 1sqk h PHE 266 N 0.00 0.00 -0.41 4.77 0.05 -1.68 0.08 116.94 119.75 1sqk h PHE 266 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1sqk h PHE 266 Cb 0.16 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.11 1sqk h PHE 266 CO 0.00 0.04 0.00 -0.89 -0.18 0.00 0.00 178.31 177.28 1sqk n ILE 267 N -3.48 0.94 -1.86 -0.55 -0.00 0.63 -4.97 119.36 110.07 1sqk n ILE 267 Ca -0.02 -0.97 -0.04 0.00 -0.00 0.00 0.00 62.75 61.72 1sqk n ILE 267 Cb 0.15 0.55 -0.01 0.00 -0.00 0.00 0.00 39.64 40.34 1sqk n ILE 267 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1sqk n GLY 268 N 0.78 0.31 3.54 7.39 0.00 0.02 -5.05 105.19 112.18 1sqk n GLY 268 Ca 0.14 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 1sqk n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sqk s MET 269 N -3.77 3.13 0.00 1.61 -1.94 -1.04 -4.95 119.30 112.34 1sqk s MET 269 Ca 0.00 -0.55 0.17 0.00 -1.71 0.00 0.00 55.69 53.60 1sqk s MET 269 Cb 0.00 -2.71 0.50 0.00 2.01 0.00 0.00 34.83 34.63 1sqk s MET 269 CO 0.00 0.48 1.40 -0.85 -0.01 0.00 0.00 175.02 176.04 1sqk n GLU 270 N 2.78 2.05 -1.50 2.03 0.28 -1.26 -2.29 120.64 122.72 1sqk n GLU 270 Ca -0.18 -1.61 -0.32 0.00 -0.16 0.00 0.00 57.16 54.90 1sqk n GLU 270 Cb 0.53 -1.39 0.07 0.00 1.43 0.00 0.00 31.44 32.08 1sqk n GLU 270 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1sqk s SER 271 N -1.20 4.85 0.66 -1.84 1.04 -1.26 -5.00 113.70 110.94 1sqk s SER 271 Ca 0.32 1.87 -0.16 0.00 0.48 0.00 0.00 55.95 58.47 1sqk s SER 271 Cb 0.17 -2.53 -0.00 0.00 0.10 0.00 0.00 66.02 63.76 1sqk s SER 271 CO 0.24 -1.80 1.15 0.00 0.98 0.00 0.00 173.24 173.80 1sqk s ALA 272 N -2.68 2.41 0.85 5.32 0.00 -1.26 -4.50 121.76 121.91 1sqk s ALA 272 Ca 0.63 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 53.18 1sqk s ALA 272 Cb -0.18 -3.38 0.11 0.00 0.00 0.00 0.00 23.12 19.67 1sqk s ALA 272 CO 0.50 -1.36 1.20 0.20 0.00 0.00 0.00 175.76 176.30 1sqk s GLY 273 N -2.23 1.62 0.46 0.00 0.00 -1.26 -4.76 107.32 101.15 1sqk s GLY 273 Ca 0.71 -0.74 0.13 0.00 0.00 0.00 0.00 44.72 44.82 1sqk s GLY 273 CO 0.40 -0.19 2.05 0.16 0.00 0.00 0.00 173.10 175.52 1sqk h ILE 274 N -1.22 1.08 -0.24 0.90 3.07 -1.36 0.72 117.51 120.46 1sqk h ILE 274 Ca -0.46 -0.35 -0.17 0.00 1.55 0.00 0.00 64.86 65.44 1sqk h ILE 274 Cb 1.31 1.06 -0.00 0.00 -0.27 0.00 0.00 36.82 38.92 1sqk h ILE 274 CO 0.60 0.11 -0.52 1.12 -1.05 0.00 0.00 178.15 178.42 1sqk h HIS 275 N 0.13 0.85 -0.16 0.16 2.07 -1.90 -2.19 115.15 114.11 1sqk h HIS 275 Ca 0.03 -0.29 -0.17 0.00 -2.85 0.00 0.00 60.37 57.09 1sqk h HIS 275 Cb 0.15 -0.17 0.01 0.00 2.57 0.00 0.00 27.41 29.97 1sqk h HIS 275 CO 0.00 1.06 -0.57 0.93 -3.07 0.00 0.00 177.93 176.28 1sqk h GLU 276 N 0.54 0.66 -0.11 5.12 5.08 -1.73 -2.55 114.58 121.58 1sqk h GLU 276 Ca 0.02 -0.50 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1sqk h GLU 276 Cb 1.08 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1sqk h GLU 276 CO 0.11 1.12 -0.05 1.79 -1.00 0.00 0.00 179.01 180.98 1sqk h THR 277 N 0.34 1.11 -0.31 1.13 1.35 -0.88 0.26 112.91 115.91 1sqk h THR 277 Ca -0.03 -0.46 -0.18 0.00 -0.55 0.00 0.00 66.41 65.19 1sqk h THR 277 Cb 1.20 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1sqk h THR 277 CO 0.12 0.15 -0.52 0.74 -0.25 0.00 0.00 175.52 175.76 1sqk h THR 278 N 0.16 1.27 -0.09 6.82 2.02 -1.31 -0.98 112.91 120.80 1sqk h THR 278 Ca 0.04 -1.70 -0.02 0.00 0.77 0.00 0.00 66.41 65.50 1sqk h THR 278 Cb 0.20 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1sqk h THR 278 CO 0.01 0.56 -0.02 0.22 0.37 0.00 0.00 175.52 176.66 1sqk h TYR 279 N 0.69 0.20 -0.78 3.16 3.20 -0.93 -2.36 116.97 120.15 1sqk h TYR 279 Ca 0.02 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1sqk h TYR 279 Cb 1.12 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.30 1sqk h TYR 279 CO 0.07 0.48 0.50 -0.91 -1.64 0.00 0.00 178.16 176.65 1sqk h ASN 280 N -0.14 0.83 -0.80 -2.11 2.35 -0.50 -0.13 115.58 115.09 1sqk h ASN 280 Ca 0.02 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1sqk h ASN 280 Cb 0.41 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 1sqk h ASN 280 CO 0.01 0.58 0.53 -1.28 -1.65 0.00 0.00 177.43 175.61 1sqk h SER 281 N 0.98 0.89 0.25 5.81 0.87 -1.09 -0.22 113.55 121.03 1sqk h SER 281 Ca 0.31 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1sqk h SER 281 Cb -0.01 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1sqk h SER 281 CO -0.11 0.63 -0.12 0.40 -0.53 0.00 0.00 176.83 177.11 1sqk h ILE 282 N 1.04 0.81 0.00 2.23 1.08 -0.77 -2.97 117.51 118.94 1sqk h ILE 282 Ca 0.30 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1sqk h ILE 282 Cb -0.07 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1sqk h ILE 282 CO -0.07 0.13 0.00 0.24 -0.69 0.00 0.00 178.15 177.76 1sqk h MET 283 N -0.67 0.00 -0.00 2.37 2.86 -0.71 0.32 114.93 119.09 1sqk h MET 283 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1sqk h MET 283 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1sqk h MET 283 CO 0.06 0.00 -0.23 1.17 1.06 0.00 0.00 176.91 178.96 1sqk n LYS 284 N -2.65 0.41 -3.82 1.72 3.00 -0.12 -4.90 118.16 111.80 1sqk n LYS 284 Ca -0.02 -0.18 -0.23 0.00 -0.00 0.00 0.00 58.31 57.88 1sqk n LYS 284 Cb 0.07 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.58 1sqk n LYS 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sqk n ASP 286 N -1.37 1.47 0.29 0.00 -0.08 -1.26 -4.76 116.55 110.84 1sqk n ASP 286 Ca -0.08 1.13 0.19 0.00 -1.51 0.00 0.00 54.79 54.52 1sqk n ASP 286 Cb 0.56 -1.03 0.97 0.00 2.34 0.00 0.00 41.12 43.96 1sqk n ASP 286 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1sqk h ILE 287 N 4.39 0.16 -0.01 5.18 2.10 -1.93 -1.22 117.51 126.19 1sqk h ILE 287 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.47 1sqk h ILE 287 Cb 1.36 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 1sqk h ILE 287 CO 0.87 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 178.41 1sqk n ASP 288 N -3.27 0.11 0.00 2.19 8.00 -1.26 -3.41 116.55 118.90 1sqk n ASP 288 Ca -0.01 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.17 1sqk n ASP 288 Cb 0.25 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1sqk n ASP 288 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1sqk n ILE 289 N -0.78 0.27 0.14 0.53 -5.35 -0.46 -4.80 119.36 108.92 1sqk n ILE 289 Ca 0.17 -0.35 0.02 0.00 -0.27 0.00 0.00 62.75 62.32 1sqk n ILE 289 Cb 0.09 1.08 0.36 0.00 -1.74 0.00 0.00 39.64 39.43 1sqk n ILE 289 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1sqk h ARG 290 N 0.00 0.14 -0.57 6.28 3.08 -1.57 -2.31 114.38 119.44 1sqk h ARG 290 Ca 0.00 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 1sqk h ARG 290 Cb 0.60 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1sqk h ARG 290 CO 0.00 0.40 0.05 0.87 -1.07 0.00 0.00 179.97 180.22 1sqk h LYS 291 N 0.13 0.98 -0.55 0.04 1.57 -1.87 -0.05 116.57 116.82 1sqk h LYS 291 Ca 0.02 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1sqk h LYS 291 Cb 0.54 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1sqk h LYS 291 CO 0.04 0.95 0.28 -0.44 -0.57 0.00 0.00 179.45 179.71 1sqk h ASP 292 N 0.87 0.71 0.03 0.86 3.32 -1.83 -0.43 116.42 119.94 1sqk h ASP 292 Ca 0.17 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1sqk h ASP 292 Cb 0.48 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1sqk h ASP 292 CO 0.02 0.62 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.08 1sqk h LEU 293 N 0.74 -0.03 -1.19 1.55 3.38 -1.20 -1.03 115.31 117.52 1sqk h LEU 293 Ca 0.19 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1sqk h LEU 293 Cb 0.09 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1sqk h LEU 293 CO -0.03 0.14 0.57 1.88 0.09 0.00 0.00 178.44 181.09 1sqk h TYR 294 N -0.20 0.98 0.00 1.13 0.05 -0.85 -0.70 116.97 117.38 1sqk h TYR 294 Ca -0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1sqk h TYR 294 Cb 0.19 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.61 1sqk h TYR 294 CO -0.02 0.49 -0.03 0.00 -1.05 0.00 0.00 178.16 177.55 1sqk n ALA 295 N -2.41 2.39 -3.00 3.88 0.00 -0.19 -1.55 120.51 119.64 1sqk n ALA 295 Ca 0.14 -0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 1sqk n ALA 295 Cb 0.24 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1sqk n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sqk n ASN 296 N -1.62 1.98 -4.48 0.00 4.13 -0.29 -4.47 115.26 110.51 1sqk n ASN 296 Ca 0.07 -3.15 -0.43 0.00 1.68 0.00 0.00 54.58 52.74 1sqk n ASN 296 Cb 0.35 -0.58 -0.04 0.00 -1.54 0.00 0.00 39.78 37.97 1sqk n ASN 296 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1sqk s ASN 297 N -2.84 6.26 -0.17 6.41 3.84 -1.04 -1.28 114.94 126.11 1sqk s ASN 297 Ca 0.40 -0.68 -0.10 0.00 0.21 0.00 0.00 52.86 52.69 1sqk s ASN 297 Cb 0.36 -2.41 -0.05 0.00 -0.55 0.00 0.00 41.25 38.60 1sqk s ASN 297 CO -0.08 -1.29 0.17 -0.69 -2.79 0.00 0.00 177.10 172.43 1sqk s VAL 298 N 3.87 5.40 -0.06 -5.21 1.01 -0.12 0.13 120.40 125.42 1sqk s VAL 298 Ca 0.25 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 1sqk s VAL 298 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1sqk s VAL 298 CO 0.15 0.48 0.13 -0.04 0.00 0.00 0.00 175.10 175.81 1sqk s MET 299 N -0.02 3.32 0.10 2.72 1.00 0.10 -1.05 119.30 125.47 1sqk s MET 299 Ca 0.12 -0.29 -0.11 0.00 0.00 0.00 0.00 55.69 55.41 1sqk s MET 299 Cb -0.12 -3.05 0.01 0.00 0.00 0.00 0.00 34.83 31.67 1sqk s MET 299 CO 0.01 0.71 0.25 -1.54 0.00 0.00 0.00 175.02 174.45 1sqk s SER 300 N -1.46 0.02 0.00 3.03 1.04 -0.68 -4.50 113.70 111.15 1sqk s SER 300 Ca 0.20 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1sqk s SER 300 Cb -0.12 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1sqk s SER 300 CO 0.11 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1sqk n GLY 301 N -0.07 2.37 0.25 7.32 0.00 -0.98 -2.22 105.19 111.86 1sqk n GLY 301 Ca -0.16 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.17 1sqk n GLY 301 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sqk h GLY 302 N 0.00 0.00 0.69 -0.02 0.00 -1.81 -1.95 103.07 99.98 1sqk h GLY 302 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sqk h GLY 302 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 1sqk n THR 303 N -3.90 0.01 -0.46 4.70 -1.04 -0.84 -2.57 114.28 110.19 1sqk n THR 303 Ca -0.02 -0.03 0.08 0.00 -2.04 0.00 0.00 64.05 62.04 1sqk n THR 303 Cb 0.24 -0.33 0.26 0.00 -1.82 0.00 0.00 70.33 68.68 1sqk n THR 303 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sqk n THR 304 N -0.80 1.41 0.75 12.58 -2.24 -0.73 -4.40 114.28 120.84 1sqk n THR 304 Ca 0.20 -1.18 0.12 0.00 -2.27 0.00 0.00 64.05 60.93 1sqk n THR 304 Cb 0.12 0.29 0.27 0.00 -2.10 0.00 0.00 70.33 68.92 1sqk n THR 304 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1sqk n MET 305 N 0.80 0.17 -1.64 -0.78 2.81 -1.06 -4.89 117.12 112.53 1sqk n MET 305 Ca 0.20 0.07 -0.47 0.00 -1.81 0.00 0.00 57.70 55.68 1sqk n MET 305 Cb 0.66 -1.63 -0.04 0.00 -0.71 0.00 0.00 33.22 31.51 1sqk n MET 305 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1sqk n TYR 306 N -1.88 1.89 -1.86 2.03 4.02 -1.26 -4.88 117.16 115.21 1sqk n TYR 306 Ca 0.05 0.48 -0.42 0.00 -0.01 0.00 0.00 57.90 57.99 1sqk n TYR 306 Cb 0.40 -2.42 -0.03 0.00 -0.02 0.00 0.00 39.34 37.27 1sqk n TYR 306 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1sqk s PRO 307 N 0.13 4.18 0.00 -0.72 0.02 -1.26 -2.14 135.00 135.20 1sqk s PRO 307 Ca 0.75 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.22 1sqk s PRO 307 Cb -0.76 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 30.64 1sqk s PRO 307 CO 0.46 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 1sqk n GLY 308 N 3.72 0.98 0.30 0.52 0.00 -1.26 -0.75 105.19 108.69 1sqk n GLY 308 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1sqk n GLY 308 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sqk h ILE 309 N 0.00 1.20 0.17 -0.61 2.10 -1.67 -1.30 117.51 117.40 1sqk h ILE 309 Ca 0.00 -0.71 -0.01 0.00 1.08 0.00 0.00 64.86 65.22 1sqk h ILE 309 Cb 0.00 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.43 1sqk h ILE 309 CO 0.00 0.26 -0.08 0.00 -1.08 0.00 0.00 178.15 177.25 1sqk h ALA 310 N 1.45 -0.23 -0.90 0.18 0.00 -1.90 -1.55 119.26 116.32 1sqk h ALA 310 Ca 0.16 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1sqk h ALA 310 Cb 0.24 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1sqk h ALA 310 CO -0.01 -0.45 0.54 -0.44 0.00 0.00 0.00 179.25 178.90 1sqk h ASP 311 N -0.59 0.81 -0.55 0.00 3.32 -1.94 -0.94 116.42 116.54 1sqk h ASP 311 Ca -0.02 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1sqk h ASP 311 Cb 0.44 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1sqk h ASP 311 CO 0.04 0.48 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.93 1sqk h ARG 312 N 0.92 1.00 -0.42 3.56 9.65 -1.20 -2.19 114.38 125.70 1sqk h ARG 312 Ca 0.42 -0.31 -0.06 0.00 -1.10 0.00 0.00 59.98 58.92 1sqk h ARG 312 Cb 0.33 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1sqk h ARG 312 CO -0.23 0.99 0.02 0.52 2.80 0.00 0.00 179.97 184.08 1sqk h MET 313 N 0.92 0.73 -0.90 0.20 2.86 -0.57 -0.89 114.93 117.28 1sqk h MET 313 Ca 0.16 -0.22 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 1sqk h MET 313 Cb 0.55 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 1sqk h MET 313 CO 0.03 0.80 0.58 0.37 1.06 0.00 0.00 176.91 179.75 1sqk h GLN 314 N 0.58 0.93 -0.01 1.72 5.75 -1.00 0.68 115.11 123.76 1sqk h GLN 314 Ca 0.12 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1sqk h GLN 314 Cb 0.45 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.79 1sqk h GLN 314 CO 0.02 0.61 -0.05 -0.22 -2.65 0.00 0.00 178.83 176.54 1sqk h LYS 315 N 0.95 0.06 -0.75 1.69 3.64 -1.09 -2.24 116.57 118.83 1sqk h LYS 315 Ca 0.41 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 1sqk h LYS 315 Cb 0.32 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1sqk h LYS 315 CO -0.17 0.69 0.28 0.93 -2.27 0.00 0.00 179.45 178.91 1sqk h GLU 316 N -0.55 1.12 -0.13 1.90 4.39 -0.88 -2.39 114.58 118.03 1sqk h GLU 316 Ca -0.00 -0.21 -0.18 0.00 0.34 0.00 0.00 59.36 59.31 1sqk h GLU 316 Cb 0.69 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1sqk h GLU 316 CO 0.01 0.92 -0.61 0.82 -1.16 0.00 0.00 179.01 178.99 1sqk h ILE 317 N 1.09 1.32 -0.12 3.13 2.04 -0.96 -2.68 117.51 121.34 1sqk h ILE 317 Ca 0.25 -1.87 -0.02 0.00 1.00 0.00 0.00 64.86 64.22 1sqk h ILE 317 Cb 0.23 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1sqk h ILE 317 CO -0.02 0.58 -0.02 0.71 0.00 0.00 0.00 178.15 179.40 1sqk h THR 318 N 0.32 1.09 -0.11 -0.27 1.35 -1.34 0.94 112.91 114.89 1sqk h THR 318 Ca -0.04 -0.36 -0.12 0.00 -0.55 0.00 0.00 66.41 65.34 1sqk h THR 318 Cb 1.25 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 1sqk h THR 318 CO 0.13 0.12 -0.45 0.00 -0.25 0.00 0.00 175.52 175.06 1sqk h ALA 319 N 1.82 1.03 0.16 6.62 0.00 -1.33 -3.28 119.26 124.28 1sqk h ALA 319 Ca 0.04 -0.44 -0.34 0.00 0.00 0.00 0.00 54.91 54.16 1sqk h ALA 319 Cb 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sqk h ALA 319 CO 0.00 0.63 -1.74 -0.07 0.00 0.00 0.00 179.25 178.07 1sqk h LEU 320 N 0.21 0.51-10.56 0.00 3.38 -0.97 -3.48 115.31 104.40 1sqk h LEU 320 Ca 0.01 -0.81 -0.46 0.00 0.09 0.00 0.00 57.88 56.71 1sqk h LEU 320 Cb 0.89 -0.17 0.13 0.00 0.09 0.00 0.00 40.66 41.60 1sqk h LEU 320 CO 0.07 1.69 0.34 0.00 0.09 0.00 0.00 178.44 180.64 1sqk s ALA 321 N -2.58 2.05 0.23 1.53 0.00 0.24 -5.01 121.76 118.22 1sqk s ALA 321 Ca -0.15 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 1sqk s ALA 321 Cb 0.06 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 20.12 1sqk s ALA 321 CO 0.84 -2.17 1.12 -1.25 0.00 0.00 0.00 175.76 174.30 1sqk s PRO 322 N -5.45 4.60 0.45 0.00 0.04 -1.26 -4.90 135.00 128.48 1sqk s PRO 322 Ca 0.65 1.80 0.32 0.00 0.04 0.00 0.00 61.00 63.80 1sqk s PRO 322 Cb -0.12 -3.22 1.45 0.00 0.04 0.00 0.00 34.50 32.65 1sqk s PRO 322 CO 0.52 0.12 1.63 0.66 0.04 0.00 0.00 177.00 179.97 1sqk h SER 323 N 4.43 0.22 0.72 6.66 4.64 -1.95 -0.95 113.55 127.32 1sqk h SER 323 Ca -0.46 0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 60.94 1sqk h SER 323 Cb 1.21 0.10 0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1sqk h SER 323 CO 0.70 -0.15 -0.35 0.71 -0.87 0.00 0.00 176.83 176.87 1sqk h THR 324 N 0.08 0.24 -0.56 2.95 1.35 -1.98 -3.46 112.91 111.53 1sqk h THR 324 Ca 0.81 -0.11 -0.42 0.00 -0.55 0.00 0.00 66.41 66.15 1sqk h THR 324 Cb 2.64 0.27 0.04 0.00 -1.73 0.00 0.00 68.15 69.37 1sqk h THR 324 CO -0.36 0.01 -0.11 0.80 -0.25 0.00 0.00 175.52 175.62 1sqk n MET 325 N -5.48 0.00 -3.33 4.72 0.00 -0.36 -4.93 117.12 107.74 1sqk n MET 325 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.16 1sqk n MET 325 Cb 0.40 -0.72 -0.09 0.00 0.00 0.00 0.00 33.22 32.81 1sqk n MET 325 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1sqk s LYS 326 N -0.24 3.75 -0.26 2.12 2.36 -1.26 -4.96 119.74 121.25 1sqk s LYS 326 Ca 0.45 -0.14 -0.08 0.00 -2.55 0.00 0.00 55.97 53.65 1sqk s LYS 326 Cb -0.63 -3.75 -0.03 0.00 -1.05 0.00 0.00 37.83 32.37 1sqk s LYS 326 CO 0.32 -0.48 0.09 0.42 1.55 0.00 0.00 175.35 177.24 1sqk s ILE 327 N 2.19 4.40 -0.11 5.43 1.09 -1.26 -3.72 121.20 129.22 1sqk s ILE 327 Ca 0.16 -0.19 0.01 0.00 -1.10 0.00 0.00 60.65 59.52 1sqk s ILE 327 Cb -0.16 -3.09 0.02 0.00 -1.06 0.00 0.00 42.46 38.17 1sqk s ILE 327 CO 0.12 0.30 -0.11 -0.75 -0.10 0.00 0.00 174.94 174.39 1sqk s LYS 328 N 1.62 1.87 -0.22 2.79 2.20 -0.60 -4.98 119.74 122.42 1sqk s LYS 328 Ca 0.06 -0.41 -0.09 0.00 -0.36 0.00 0.00 55.97 55.17 1sqk s LYS 328 Cb -0.15 -1.74 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 1sqk s LYS 328 CO 0.04 -0.17 0.11 0.42 -0.36 0.00 0.00 175.35 175.39 1sqk s ILE 329 N 1.35 5.00 -0.26 5.43 -1.09 -1.26 -2.49 121.20 127.88 1sqk s ILE 329 Ca -0.00 0.05 -0.07 0.00 -2.23 0.00 0.00 60.65 58.40 1sqk s ILE 329 Cb -0.14 -3.30 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 1sqk s ILE 329 CO -0.06 0.39 0.05 -0.63 -1.23 0.00 0.00 174.94 173.47 1sqk s ILE 330 N 0.86 4.07 -0.46 2.92 -1.09 0.12 -4.98 121.20 122.64 1sqk s ILE 330 Ca 0.06 -0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.15 1sqk s ILE 330 Cb -0.13 -2.94 0.15 0.00 -1.58 0.00 0.00 42.46 37.95 1sqk s ILE 330 CO 0.03 0.29 0.28 0.00 -1.23 0.00 0.00 174.94 174.31 1sqk s ALA 331 N 1.56 2.08 0.48 9.38 0.00 -1.26 0.03 121.76 134.04 1sqk s ALA 331 Ca 0.05 -2.64 -0.23 0.00 0.00 0.00 0.00 51.96 49.15 1sqk s ALA 331 Cb -0.15 -1.84 -0.07 0.00 0.00 0.00 0.00 23.12 21.06 1sqk s ALA 331 CO 0.02 -2.06 1.25 -1.25 0.00 0.00 0.00 175.76 173.73 1sqk s PRO 332 N 0.16 3.56 0.53 0.00 0.04 -1.26 -4.92 135.00 133.11 1sqk s PRO 332 Ca 0.21 1.99 0.21 0.00 0.04 0.00 0.00 61.00 63.45 1sqk s PRO 332 Cb -0.17 -2.39 1.38 0.00 0.04 0.00 0.00 34.50 33.36 1sqk s PRO 332 CO -0.05 -0.78 2.09 -1.35 0.04 0.00 0.00 177.00 176.95 1sqk h PRO 333 N 1.91 0.00 -0.67 0.56 0.11 -2.00 -0.47 132.00 131.44 1sqk h PRO 333 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sqk h PRO 333 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1sqk h PRO 333 CO 0.59 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.53 1sqk n GLU 334 N -4.37 2.53 -0.33 1.05 0.00 -1.26 -4.51 120.64 113.74 1sqk n GLU 334 Ca 0.02 -1.41 0.22 0.00 0.00 0.00 0.00 57.16 55.99 1sqk n GLU 334 Cb 0.30 -1.69 0.41 0.00 0.00 0.00 0.00 31.44 30.47 1sqk n GLU 334 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1sqk h ARG 335 N 1.91 0.03 -0.04 3.44 2.43 -1.42 0.36 114.38 121.09 1sqk h ARG 335 Ca 0.00 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1sqk h ARG 335 Cb 0.98 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1sqk h ARG 335 CO 0.16 0.02 0.08 0.87 -1.51 0.00 0.00 179.97 179.59 1sqk h LYS 336 N 0.03 0.00 0.00 0.20 1.57 -1.79 -2.55 116.57 114.02 1sqk h LYS 336 Ca 0.70 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.48 1sqk h LYS 336 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.94 1sqk h LYS 336 CO -0.84 0.00 -0.09 0.66 -0.57 0.00 0.00 179.45 178.61 1sqk n TYR 337 N -3.40 0.00 -0.21 -1.35 4.01 0.12 -4.67 117.16 111.66 1sqk n TYR 337 Ca -0.02 -0.54 0.02 0.00 -0.16 0.00 0.00 57.90 57.20 1sqk n TYR 337 Cb 0.16 -0.08 0.12 0.00 -0.31 0.00 0.00 39.34 39.23 1sqk n TYR 337 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1sqk h SER 338 N 0.00 -0.17 0.41 7.72 0.02 -1.25 -0.80 113.55 119.49 1sqk h SER 338 Ca 0.00 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1sqk h SER 338 Cb 0.93 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 1sqk h SER 338 CO 0.00 -0.08 -0.46 0.58 -1.14 0.00 0.00 176.83 175.73 1sqk h VAL 339 N 0.17 0.09 -0.22 2.27 2.07 -1.84 0.31 116.25 119.10 1sqk h VAL 339 Ca 0.34 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.92 1sqk h VAL 339 Cb 0.56 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 1sqk h VAL 339 CO -0.50 0.00 -0.20 -0.25 0.02 0.00 0.00 177.57 176.64 1sqk h TRP 340 N -0.90 -0.51 -0.13 1.57 7.01 -1.81 0.10 115.95 121.29 1sqk h TRP 340 Ca -0.04 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.03 1sqk h TRP 340 Cb 0.80 0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 28.11 1sqk h TRP 340 CO -0.26 -0.27 0.11 0.82 -2.79 0.00 0.00 178.44 176.04 1sqk h ILE 341 N -0.21 0.76 -0.21 2.65 2.04 -0.88 0.16 117.51 121.83 1sqk h ILE 341 Ca 0.13 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 1sqk h ILE 341 Cb 0.40 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1sqk h ILE 341 CO -0.34 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.01 1sqk h GLY 342 N 0.00 0.42 1.06 5.37 0.00 0.21 -1.87 103.07 108.26 1sqk h GLY 342 Ca 0.06 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 1sqk h GLY 342 CO -0.00 0.30 0.04 -1.33 0.00 0.00 0.00 176.54 175.55 1sqk h GLY 343 N 0.12 1.11 0.68 4.60 0.00 0.01 -0.85 103.07 108.74 1sqk h GLY 343 Ca 0.05 -0.79 0.05 0.00 0.00 0.00 0.00 47.33 46.64 1sqk h GLY 343 CO 0.02 0.73 0.19 0.23 0.00 0.00 0.00 176.54 177.70 1sqk h SER 344 N 0.93 0.24 -0.03 0.19 0.87 -0.67 0.18 113.55 115.26 1sqk h SER 344 Ca 0.17 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1sqk h SER 344 Cb 0.51 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1sqk h SER 344 CO 0.02 0.17 0.01 0.40 -0.53 0.00 0.00 176.83 176.90 1sqk h ILE 345 N 0.38 1.19 0.20 2.23 2.04 -1.15 -2.72 117.51 119.68 1sqk h ILE 345 Ca 0.20 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1sqk h ILE 345 Cb 0.16 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1sqk h ILE 345 CO -0.18 0.15 -0.16 0.25 0.00 0.00 0.00 178.15 178.22 1sqk h LEU 346 N -0.19 -0.42 0.00 1.44 5.85 -0.76 -2.40 115.31 118.81 1sqk h LEU 346 Ca 0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1sqk h LEU 346 Cb 0.24 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1sqk h LEU 346 CO 0.00 -0.22 0.01 0.00 -0.34 0.00 0.00 178.44 177.89 1sqk n ALA 347 N -2.38 1.24 0.07 1.25 0.00 0.60 -0.51 120.51 120.79 1sqk n ALA 347 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.49 1sqk n ALA 347 Cb 0.15 -0.91 -0.14 0.00 0.00 0.00 0.00 19.45 18.55 1sqk n ALA 347 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sqk n SER 348 N -1.09 0.74 -4.68 0.00 3.41 -0.94 -4.81 113.62 106.25 1sqk n SER 348 Ca 0.00 -0.08 -0.34 0.00 -0.26 0.00 0.00 58.87 58.19 1sqk n SER 348 Cb 0.01 1.78 0.12 0.00 -0.26 0.00 0.00 64.21 65.86 1sqk n SER 348 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sqk n LEU 349 N -2.08 4.33 -0.02 1.04 4.77 0.34 -4.95 117.00 120.42 1sqk n LEU 349 Ca -0.03 0.62 -0.16 0.00 -0.03 0.00 0.00 56.01 56.40 1sqk n LEU 349 Cb 0.47 -1.49 -0.13 0.00 -2.33 0.00 0.00 43.42 39.93 1sqk n LEU 349 CO 0.39 -1.73 0.28 0.77 -1.33 0.00 0.00 177.39 175.77 1sqk h SER 350 N -0.69 0.21 0.35 -1.43 4.64 -1.93 -3.28 113.55 111.41 1sqk h SER 350 Ca -0.47 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 59.92 1sqk h SER 350 Cb 1.31 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1sqk h SER 350 CO 0.46 1.12 0.00 1.07 -0.87 0.00 0.00 176.83 178.62 1sqk n THR 351 N -4.43 0.85 0.15 2.95 5.66 -1.26 -2.48 114.28 115.73 1sqk n THR 351 Ca -0.11 0.21 0.07 0.00 -3.05 0.00 0.00 64.05 61.17 1sqk n THR 351 Cb 0.60 -0.99 0.06 0.00 -1.55 0.00 0.00 70.33 68.46 1sqk n THR 351 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1sqk h PHE 352 N 0.00 0.00 -0.57 1.09 3.57 -1.86 -3.35 116.94 115.82 1sqk h PHE 352 Ca 0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1sqk h PHE 352 Cb 0.18 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1sqk h PHE 352 CO 0.00 0.26 0.49 1.96 -2.23 0.00 0.00 178.31 178.79 1sqk h GLN 353 N 0.00 0.00 -0.01 1.11 1.08 -1.64 0.39 115.11 116.03 1sqk h GLN 353 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1sqk h GLN 353 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1sqk h GLN 353 CO 0.03 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 178.95 1sqk n GLN 354 N -3.99 1.04 -0.01 1.46 3.00 -1.26 -3.36 117.38 114.27 1sqk n GLN 354 Ca 0.11 -0.06 0.08 0.00 -0.01 0.00 0.00 57.00 57.12 1sqk n GLN 354 Cb 0.72 -1.17 -0.12 0.00 0.00 0.00 0.00 30.24 29.67 1sqk n GLN 354 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1sqk n MET 355 N -0.60 0.75 -1.88 -1.09 2.81 0.14 -4.94 117.12 112.31 1sqk n MET 355 Ca 0.08 -0.12 -0.40 0.00 -1.81 0.00 0.00 57.70 55.45 1sqk n MET 355 Cb 0.05 -1.37 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 1sqk n MET 355 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1sqk s TRP 356 N -3.04 1.54 -0.04 2.03 0.52 -1.21 -4.91 118.94 113.83 1sqk s TRP 356 Ca -0.03 0.84 -0.34 0.00 0.02 0.00 0.00 56.10 56.59 1sqk s TRP 356 Cb 0.11 -3.99 -0.12 0.00 -1.15 0.00 0.00 33.47 28.33 1sqk s TRP 356 CO 0.70 -2.82 1.84 -0.89 0.02 0.00 0.00 176.95 175.80 1sqk n ILE 357 N 7.51 0.50 -3.40 2.03 5.41 -0.55 -4.67 119.36 126.20 1sqk n ILE 357 Ca 0.26 -0.09 -0.22 0.00 1.00 0.00 0.00 62.75 63.70 1sqk n ILE 357 Cb 0.50 -1.85 -0.01 0.00 -0.71 0.00 0.00 39.64 37.57 1sqk n ILE 357 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1sqk s THR 358 N 3.59 4.62 0.35 1.39 -4.23 -1.26 -0.30 115.64 119.79 1sqk s THR 358 Ca 0.90 -0.68 0.06 0.00 -1.18 0.00 0.00 61.69 60.79 1sqk s THR 358 Cb -0.67 -3.66 0.16 0.00 1.34 0.00 0.00 72.50 69.66 1sqk s THR 358 CO 0.49 -0.37 1.88 0.07 -0.54 0.00 0.00 174.62 176.15 1sqk h LYS 359 N 0.76 0.45 -0.89 3.99 2.10 -1.29 -1.00 116.57 120.69 1sqk h LYS 359 Ca -0.48 -0.10 0.06 0.00 -2.00 0.00 0.00 60.65 58.13 1sqk h LYS 359 Cb 1.24 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 32.44 1sqk h LYS 359 CO 0.58 0.51 0.56 0.37 -2.00 0.00 0.00 179.45 179.47 1sqk h GLN 360 N 0.43 0.99 -0.32 0.07 4.15 -1.94 0.66 115.11 119.15 1sqk h GLN 360 Ca 0.09 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.32 1sqk h GLN 360 Cb 0.34 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1sqk h GLN 360 CO 0.01 0.66 -0.32 0.93 -1.93 0.00 0.00 178.83 178.18 1sqk h GLU 361 N 1.02 0.79 -0.55 1.69 5.08 -1.73 -2.80 114.58 118.09 1sqk h GLU 361 Ca 0.39 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1sqk h GLU 361 Cb 0.16 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1sqk h GLU 361 CO -0.17 1.04 0.01 -0.92 -1.00 0.00 0.00 179.01 177.97 1sqk h TYR 362 N 0.56 1.05 0.00 4.33 3.20 -0.32 0.37 116.97 126.16 1sqk h TYR 362 Ca 0.05 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1sqk h TYR 362 Cb 0.90 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1sqk h TYR 362 CO 0.07 0.95 0.00 -0.44 -1.64 0.00 0.00 178.16 177.10 1sqk h ASP 363 N 0.84 0.00 0.05 -2.11 3.45 0.27 -1.80 116.42 117.12 1sqk h ASP 363 Ca 0.16 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 57.25 1sqk h ASP 363 Cb 0.53 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.26 1sqk h ASP 363 CO 0.03 0.00 -2.07 -0.62 -1.57 0.00 0.00 179.24 175.01 1sqk n GLU 364 N -3.08 0.67 -0.01 3.56 1.02 -0.90 -4.74 120.64 117.15 1sqk n GLU 364 Ca -0.00 0.29 0.04 0.00 -0.02 0.00 0.00 57.16 57.47 1sqk n GLU 364 Cb 0.25 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 29.94 1sqk n GLU 364 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sqk n ALA 365 N -3.34 2.31 0.00 0.62 0.00 0.07 -5.10 120.51 115.07 1sqk n ALA 365 Ca -0.39 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1sqk n ALA 365 Cb 0.94 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1sqk n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqk n GLY 366 N 1.91 -2.14 0.20 0.00 0.00 -0.68 -4.69 105.19 99.79 1sqk n GLY 366 Ca -0.05 -2.15 0.02 0.00 0.00 0.00 0.00 46.02 43.83 1sqk n GLY 366 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqk h PRO 367 N 2.46 0.09 0.00 1.61 0.13 -1.89 -2.88 132.00 131.52 1sqk h PRO 367 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1sqk h PRO 367 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1sqk h PRO 367 CO 0.00 0.40 0.00 -1.13 -0.23 0.00 0.00 178.00 177.04 1sqk n SER 368 N -4.14 0.00 0.22 1.44 3.41 -1.26 -1.96 113.62 111.32 1sqk n SER 368 Ca -0.02 0.10 0.15 0.00 -0.26 0.00 0.00 58.87 58.85 1sqk n SER 368 Cb 0.38 -0.19 0.67 0.00 -0.26 0.00 0.00 64.21 64.82 1sqk n SER 368 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1sqk h ILE 369 N 0.00 0.00 0.00 -1.33 6.09 -1.80 -3.16 117.51 117.31 1sqk h ILE 369 Ca 0.00 -0.27 -0.09 0.00 -1.37 0.00 0.00 64.86 63.13 1sqk h ILE 369 Cb 0.02 1.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.41 1sqk h ILE 369 CO 0.00 0.00 -0.42 0.58 -3.07 0.00 0.00 178.15 175.24 1sqk h VAL 370 N 0.00 1.20 0.00 2.19 2.07 -1.66 -3.50 116.25 116.54 1sqk h VAL 370 Ca 0.00 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1sqk h VAL 370 Cb 0.32 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1sqk h VAL 370 CO 0.00 0.41 0.00 1.41 0.02 0.00 0.00 177.57 179.41