#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2awl h GLY 4 N 0.00 0.00 2.00 3.14 0.00 -1.70 -3.23 103.07 103.28 2awl h GLY 4 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2awl h GLY 4 CO 0.00 0.00 -0.07 1.05 0.00 0.00 0.00 176.54 177.52 2awl h GLU 5 N 0.00 0.00 0.00 4.80 4.11 -1.92 -2.76 114.58 118.81 2awl h GLU 5 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2awl h GLU 5 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2awl h GLU 5 CO 0.02 0.07 -0.08 0.93 0.07 0.00 0.00 179.01 180.02 2awl h GLU 6 N 0.00 0.00 0.00 1.06 5.08 -1.94 -1.66 114.58 117.11 2awl h GLU 6 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2awl h GLU 6 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2awl h GLU 6 CO 0.01 0.08 0.00 1.28 -1.00 0.00 0.00 179.01 179.38 2awl n LEU 7 N -3.83 0.00 -0.50 1.33 4.77 -1.04 -3.78 117.00 113.95 2awl n LEU 7 Ca -0.02 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.44 2awl n LEU 7 Cb 0.17 -0.41 0.17 0.00 -2.33 0.00 0.00 43.42 41.02 2awl n LEU 7 CO 0.30 -0.00 0.63 0.49 -1.33 0.00 0.00 177.39 177.47 2awl n PHE 8 N -1.41 0.46 0.23 -1.77 3.01 -0.63 -4.69 117.46 112.67 2awl n PHE 8 Ca 0.10 -0.78 0.11 0.00 1.01 0.00 0.00 57.45 57.90 2awl n PHE 8 Cb 0.30 -0.17 0.44 0.00 -0.01 0.00 0.00 39.48 40.03 2awl n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2awl h THR 9 N 1.12 0.39 -2.97 4.37 1.35 -1.66 -3.37 112.91 112.12 2awl h THR 9 Ca 0.00 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2awl h THR 9 Cb 1.05 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2awl h THR 9 CO 0.09 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 2awl n GLY 10 N 0.34 5.82 3.68 5.82 0.00 -1.26 -4.80 105.19 114.79 2awl n GLY 10 Ca 0.01 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 2awl n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2awl s VAL 11 N -0.29 4.29 -0.16 1.61 1.01 -1.26 -4.52 120.40 121.08 2awl s VAL 11 Ca 0.00 1.60 0.01 0.00 0.00 0.00 0.00 61.98 63.59 2awl s VAL 11 Cb 0.00 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.36 2awl s VAL 11 CO 0.00 -0.06 -0.19 -0.69 0.00 0.00 0.00 175.10 174.17 2awl s VAL 12 N 2.71 2.29 0.41 2.92 1.01 -0.47 -4.98 120.40 124.30 2awl s VAL 12 Ca 0.55 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 2awl s VAL 12 Cb -0.23 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.12 2awl s VAL 12 CO 0.19 0.53 1.23 -2.16 0.00 0.00 0.00 175.10 174.89 2awl s PRO 13 N 0.96 3.95 0.03 2.72 0.04 -1.26 -1.28 135.00 140.15 2awl s PRO 13 Ca -0.03 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.07 2awl s PRO 13 Cb -0.15 -2.67 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 2awl s PRO 13 CO -0.04 -0.45 -0.22 0.42 0.04 0.00 0.00 177.00 176.75 2awl s ILE 14 N -1.35 1.80 -0.08 0.56 1.01 -0.15 -1.14 121.20 121.85 2awl s ILE 14 Ca 0.58 -1.18 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2awl s ILE 14 Cb -0.34 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.60 2awl s ILE 14 CO 0.43 0.32 -0.10 -0.76 0.00 0.00 0.00 174.94 174.83 2awl s LEU 15 N -1.02 1.45 -0.10 2.97 1.43 -0.64 -2.27 118.68 120.50 2awl s LEU 15 Ca 0.09 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 2awl s LEU 15 Cb -0.09 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.31 2awl s LEU 15 CO 0.01 -0.03 -0.24 -0.69 0.23 0.00 0.00 176.35 175.63 2awl s VAL 16 N 1.10 2.05 -0.11 -1.59 1.01 -0.03 -1.08 120.40 121.76 2awl s VAL 16 Ca -0.06 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 2awl s VAL 16 Cb -0.14 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.49 2awl s VAL 16 CO -0.01 0.56 -0.06 -1.61 0.00 0.00 0.00 175.10 173.98 2awl s GLU 17 N 0.39 1.30 -0.03 2.72 0.41 -0.13 0.24 118.70 123.61 2awl s GLU 17 Ca -0.18 -0.19 0.07 0.00 -0.41 0.00 0.00 54.97 54.26 2awl s GLU 17 Cb -0.18 -1.49 -0.02 0.00 -1.78 0.00 0.00 34.13 30.67 2awl s GLU 17 CO 0.08 -0.29 -0.25 -1.17 -0.49 0.00 0.00 175.26 173.13 2awl s LEU 18 N 1.76 2.07 -0.18 1.80 0.20 -0.11 0.06 118.68 124.28 2awl s LEU 18 Ca 0.05 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.40 2awl s LEU 18 Cb -0.13 -1.36 0.03 0.00 -0.43 0.00 0.00 46.19 44.31 2awl s LEU 18 CO -0.08 0.29 -0.13 -0.62 -0.29 0.00 0.00 176.35 175.52 2awl s ASP 19 N -0.45 3.21 0.18 3.68 -1.08 -0.22 -1.64 116.67 120.35 2awl s ASP 19 Ca 0.05 -0.76 0.07 0.00 -0.52 0.00 0.00 52.55 51.39 2awl s ASP 19 Cb -0.11 -1.29 -0.05 0.00 -1.46 0.00 0.00 42.92 40.01 2awl s ASP 19 CO 0.01 -0.09 -0.13 -0.83 0.52 0.00 0.00 175.17 174.64 2awl s GLY 20 N 1.38 1.30 -0.23 2.66 0.00 0.40 -0.48 107.32 112.35 2awl s GLY 20 Ca 0.01 -1.59 -0.03 0.00 0.00 0.00 0.00 44.72 43.11 2awl s GLY 20 CO -0.10 -1.68 0.32 -0.35 0.00 0.00 0.00 173.10 171.29 2awl s ASP 21 N -3.22 0.67 -0.23 1.64 -1.08 -0.60 -1.60 116.67 112.25 2awl s ASP 21 Ca 0.20 0.03 0.02 0.00 -0.52 0.00 0.00 52.55 52.28 2awl s ASP 21 Cb -0.00 0.85 0.05 0.00 -1.46 0.00 0.00 42.92 42.36 2awl s ASP 21 CO 0.05 -0.31 -0.11 -0.69 0.52 0.00 0.00 175.17 174.62 2awl s VAL 22 N 2.47 1.91 -1.43 1.11 1.01 -0.82 0.65 120.40 125.29 2awl s VAL 22 Ca 0.11 -1.30 -0.08 0.00 0.00 0.00 0.00 61.98 60.70 2awl s VAL 22 Cb -0.15 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.28 2awl s VAL 22 CO -0.15 0.10 0.65 0.59 0.00 0.00 0.00 175.10 176.29 2awl n ASN 23 N 4.56 -4.92 0.00 3.32 4.13 -0.61 -1.42 115.26 120.33 2awl n ASN 23 Ca -0.15 -0.43 0.00 0.00 1.68 0.00 0.00 54.58 55.68 2awl n ASN 23 Cb 0.45 -3.99 0.00 0.00 -1.54 0.00 0.00 39.78 34.69 2awl n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2awl n GLY 24 N -1.43 3.03 3.59 7.41 0.00 -1.26 -5.01 105.19 111.52 2awl n GLY 24 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2awl n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2awl s HIS 25 N -2.22 2.43 0.16 1.61 3.76 -0.51 -5.00 115.29 115.52 2awl s HIS 25 Ca 0.00 0.58 -0.25 0.00 -0.15 0.00 0.00 55.06 55.24 2awl s HIS 25 Cb 0.00 -4.38 -0.08 0.00 1.11 0.00 0.00 32.58 29.23 2awl s HIS 25 CO 0.00 -1.85 0.78 0.15 -0.85 0.00 0.00 174.74 172.97 2awl s LYS 26 N 5.10 4.57 0.08 1.40 1.02 -1.26 -1.95 119.74 128.70 2awl s LYS 26 Ca 0.55 1.16 -0.20 0.00 0.02 0.00 0.00 55.97 57.50 2awl s LYS 26 Cb -0.11 -3.26 0.05 0.00 -0.52 0.00 0.00 37.83 33.98 2awl s LYS 26 CO 0.29 0.57 0.47 -0.59 -0.92 0.00 0.00 175.35 175.17 2awl s PHE 27 N -1.13 -0.34 -0.00 3.18 -0.71 -0.63 -4.98 117.98 113.37 2awl s PHE 27 Ca 0.36 0.23 0.03 0.00 -1.04 0.00 0.00 56.93 56.50 2awl s PHE 27 Cb -0.23 0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 41.89 2awl s PHE 27 CO 0.26 -0.67 -0.09 -1.12 -1.34 0.00 0.00 175.22 172.26 2awl s SER 28 N -2.33 1.07 -0.05 1.98 0.01 -1.26 -0.45 113.70 112.66 2awl s SER 28 Ca -0.02 -0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.08 2awl s SER 28 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2awl s SER 28 CO -0.06 0.09 -0.16 -0.69 0.41 0.00 0.00 173.24 172.83 2awl s VAL 29 N -0.30 1.35 -0.14 3.43 1.01 -0.65 -1.44 120.40 123.66 2awl s VAL 29 Ca 0.03 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2awl s VAL 29 Cb -0.04 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.17 2awl s VAL 29 CO -0.00 0.40 -0.22 -0.44 0.00 0.00 0.00 175.10 174.84 2awl s SER 30 N 0.26 3.09 0.04 3.32 0.01 -0.38 -0.94 113.70 119.11 2awl s SER 30 Ca -0.08 -0.60 0.08 0.00 1.31 0.00 0.00 55.95 56.66 2awl s SER 30 Cb -0.13 -1.43 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 2awl s SER 30 CO 0.03 0.08 -0.22 -0.83 0.41 0.00 0.00 173.24 172.71 2awl s GLY 31 N 0.79 1.19 0.02 3.44 0.00 0.14 -0.54 107.32 112.37 2awl s GLY 31 Ca -0.08 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.54 2awl s GLY 31 CO -0.01 -1.03 -0.05 -0.54 0.00 0.00 0.00 173.10 171.47 2awl s GLU 32 N -1.20 0.38 0.00 2.90 2.02 -0.76 -0.85 118.70 121.19 2awl s GLU 32 Ca 0.09 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.55 2awl s GLU 32 Cb -0.09 -0.15 0.00 0.00 0.10 0.00 0.00 34.13 33.99 2awl s GLU 32 CO 0.02 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.73 2awl n GLY 33 N 1.96 -0.59 3.30 -1.39 0.00 -0.96 -0.93 105.19 106.57 2awl n GLY 33 Ca -0.20 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 2awl n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2awl s GLU 34 N -1.22 0.90 0.03 1.61 -1.05 -0.47 -0.98 118.70 117.53 2awl s GLU 34 Ca 0.00 -0.45 0.05 0.00 -0.15 0.00 0.00 54.97 54.42 2awl s GLU 34 Cb 0.00 0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 34.07 2awl s GLU 34 CO 0.00 -0.31 -0.15 0.20 0.95 0.00 0.00 175.26 175.95 2awl s GLY 35 N -2.13 0.83 -0.38 -3.83 0.00 -0.41 -1.64 107.32 99.77 2awl s GLY 35 Ca -0.04 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.85 2awl s GLY 35 CO -0.04 -0.79 0.20 -0.35 0.00 0.00 0.00 173.10 172.12 2awl s ASP 36 N -1.03 3.52 0.57 1.64 3.68 0.21 -1.36 116.67 123.90 2awl s ASP 36 Ca 0.03 -2.26 0.26 0.00 2.13 0.00 0.00 52.55 52.72 2awl s ASP 36 Cb -0.08 -0.79 1.59 0.00 -1.45 0.00 0.00 42.92 42.20 2awl s ASP 36 CO 0.01 -0.31 2.12 0.00 0.13 0.00 0.00 175.17 177.12 2awl h ALA 37 N 7.14 1.88 -0.04 3.66 0.00 -1.74 -1.11 119.26 129.04 2awl h ALA 37 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2awl h ALA 37 Cb 0.96 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2awl h ALA 37 CO 0.41 -0.25 0.03 1.15 0.00 0.00 0.00 179.25 180.60 2awl h THR 38 N 0.00 0.98 -0.05 0.00 2.02 -1.87 -1.60 112.91 112.39 2awl h THR 38 Ca 0.08 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2awl h THR 38 Cb 0.40 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2awl h THR 38 CO -0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 2awl n TYR 39 N -4.53 0.06 -2.83 3.16 4.01 -0.87 -4.98 117.16 111.19 2awl n TYR 39 Ca -0.02 -0.22 -0.21 0.00 -0.16 0.00 0.00 57.90 57.30 2awl n TYR 39 Cb 0.13 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.16 2awl n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2awl n GLY 40 N 0.03 -0.51 3.72 2.72 0.00 -0.60 -4.75 105.19 105.81 2awl n GLY 40 Ca 0.03 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2awl n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2awl s LYS 41 N -5.49 4.18 -0.10 1.61 2.20 -0.52 -1.03 119.74 120.60 2awl s LYS 41 Ca 0.20 -0.19 0.04 0.00 -0.36 0.00 0.00 55.97 55.65 2awl s LYS 41 Cb -0.09 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 2awl s LYS 41 CO 0.24 0.26 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.76 2awl s LEU 42 N 0.46 2.03 -0.18 5.43 1.43 0.24 -0.62 118.68 127.47 2awl s LEU 42 Ca 0.09 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2awl s LEU 42 Cb -0.12 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.82 2awl s LEU 42 CO -0.01 0.13 -0.01 0.42 0.23 0.00 0.00 176.35 177.12 2awl s THR 43 N 0.45 0.88 0.04 5.49 -4.23 -0.65 -1.02 115.64 116.60 2awl s THR 43 Ca -0.17 -0.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.65 2awl s THR 43 Cb -0.17 -1.21 -0.02 0.00 1.34 0.00 0.00 72.50 72.44 2awl s THR 43 CO 0.07 -0.05 0.07 -0.76 -0.54 0.00 0.00 174.62 173.41 2awl s LEU 44 N 1.71 1.95 -0.13 4.79 1.02 -0.06 -1.36 118.68 126.60 2awl s LEU 44 Ca -0.01 -0.64 -0.00 0.00 0.02 0.00 0.00 54.13 53.50 2awl s LEU 44 Cb -0.16 0.51 0.02 0.00 0.02 0.00 0.00 46.19 46.58 2awl s LEU 44 CO -0.07 -0.53 -0.10 -0.75 0.02 0.00 0.00 176.35 174.92 2awl s LYS 45 N -2.90 1.81 -0.08 1.70 2.20 -0.11 0.27 119.74 122.63 2awl s LYS 45 Ca -0.02 -0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 55.21 2awl s LYS 45 Cb 0.01 -1.77 -0.03 0.00 -1.51 0.00 0.00 37.83 34.52 2awl s LYS 45 CO -0.06 -0.26 0.00 -0.06 -0.36 0.00 0.00 175.35 174.62 2awl s PHE 46 N 1.63 3.16 -0.04 4.03 0.40 0.36 -1.83 117.98 125.69 2awl s PHE 46 Ca 0.05 0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.60 2awl s PHE 46 Cb -0.13 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.62 2awl s PHE 46 CO -0.09 0.47 -0.14 0.42 0.70 0.00 0.00 175.22 176.58 2awl s ILE 47 N -0.90 1.17 -0.67 0.64 1.01 0.30 -1.25 121.20 121.50 2awl s ILE 47 Ca 0.14 -0.56 -0.23 0.00 0.00 0.00 0.00 60.65 59.99 2awl s ILE 47 Cb -0.11 -1.02 0.06 0.00 0.01 0.00 0.00 42.46 41.40 2awl s ILE 47 CO 0.03 0.35 1.01 0.00 0.00 0.00 0.00 174.94 176.33 2awl n THR 49 N 6.00 0.49 0.32 0.00 -2.24 -0.52 -2.71 114.28 115.62 2awl n THR 49 Ca -0.03 0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.95 2awl n THR 49 Cb 0.46 -0.78 0.12 0.00 -2.10 0.00 0.00 70.33 68.02 2awl n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2awl n THR 50 N -1.38 0.36 0.00 4.28 -2.24 -1.25 -4.99 114.28 109.06 2awl n THR 50 Ca 0.07 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2awl n THR 50 Cb 0.20 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 2awl n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2awl n GLY 51 N 0.86 -0.80 3.71 3.38 0.00 -1.10 -4.97 105.19 106.26 2awl n GLY 51 Ca 0.11 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 2awl n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2awl s LYS 52 N 0.00 4.19 0.33 1.61 -0.14 -1.26 -4.67 119.74 119.80 2awl s LYS 52 Ca 0.00 2.41 -0.29 0.00 -1.36 0.00 0.00 55.97 56.73 2awl s LYS 52 Cb 0.00 -3.31 -0.10 0.00 -1.68 0.00 0.00 37.83 32.74 2awl s LYS 52 CO 0.00 -0.69 1.27 -0.51 -0.76 0.00 0.00 175.35 174.67 2awl s LEU 53 N 1.73 4.43 0.00 3.17 1.43 -1.26 -4.95 118.68 123.22 2awl s LEU 53 Ca 0.73 2.62 0.29 0.00 -1.03 0.00 0.00 54.13 56.74 2awl s LEU 53 Cb -0.44 -3.67 1.30 0.00 0.03 0.00 0.00 46.19 43.41 2awl s LEU 53 CO 0.32 -0.50 1.90 -0.81 0.23 0.00 0.00 176.35 177.49 2awl n PRO 54 N 0.79 0.76 -4.19 1.29 -0.04 -1.26 -4.83 135.00 127.52 2awl n PRO 54 Ca 0.00 -0.24 -0.19 0.00 -0.04 0.00 0.00 63.50 63.04 2awl n PRO 54 Cb 0.42 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 2awl n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2awl s VAL 55 N -2.41 1.12 0.42 0.52 -7.23 -1.26 -4.54 120.40 107.02 2awl s VAL 55 Ca 0.31 -1.28 -0.25 0.00 -1.81 0.00 0.00 61.98 58.95 2awl s VAL 55 Cb 0.20 -1.07 -0.08 0.00 0.56 0.00 0.00 36.38 35.99 2awl s VAL 55 CO 0.45 -0.20 1.28 -2.84 -0.31 0.00 0.00 175.10 173.48 2awl s PRO 56 N -1.68 3.90 0.28 4.82 0.02 -1.26 -4.95 135.00 136.13 2awl s PRO 56 Ca -0.01 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.10 2awl s PRO 56 Cb -0.10 -2.68 0.59 0.00 0.02 0.00 0.00 34.50 32.33 2awl s PRO 56 CO 0.02 -0.52 1.79 -1.49 -0.33 0.00 0.00 177.00 176.46 2awl h TRP 57 N 2.54 0.94 -0.06 6.54 4.06 -1.97 -2.44 115.95 125.56 2awl h TRP 57 Ca -0.50 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.51 2awl h TRP 57 Cb 1.25 -0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 29.13 2awl h TRP 57 CO 0.53 0.27 0.05 -1.35 -3.56 0.00 0.00 178.44 174.38 2awl h PRO 58 N 0.76 0.00 0.00 0.49 0.11 -1.89 -1.80 132.00 129.67 2awl h PRO 58 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2awl h PRO 58 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2awl h PRO 58 CO -0.34 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.24 2awl h THR 59 N 0.00 0.00 -0.00 -1.15 1.35 -1.82 -2.97 112.91 108.31 2awl h THR 59 Ca 0.03 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2awl h THR 59 Cb 0.14 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 2awl h THR 59 CO -0.00 0.00 -0.87 0.18 -0.25 0.00 0.00 175.52 174.58 2awl n LEU 60 N -2.59 1.02 -0.14 3.87 4.77 -0.68 -4.62 117.00 118.63 2awl n LEU 60 Ca 0.01 -0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 55.50 2awl n LEU 60 Cb 0.22 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2awl n LEU 60 CO 0.21 0.24 0.92 0.58 -1.33 0.00 0.00 177.39 178.02 2awl h VAL 61 N 0.23 0.79 0.00 4.08 2.07 -1.56 -0.81 116.25 121.05 2awl h VAL 61 Ca 0.00 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2awl h VAL 61 Cb 0.52 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2awl h VAL 61 CO 0.00 0.05 -0.18 0.71 0.02 0.00 0.00 177.57 178.17 2awl h THR 62 N 0.26 0.68 0.20 2.57 1.35 -1.82 -2.84 112.91 113.32 2awl h THR 62 Ca 0.22 -0.77 -0.31 0.00 -0.55 0.00 0.00 66.41 64.99 2awl h THR 62 Cb 0.25 1.48 0.02 0.00 -1.73 0.00 0.00 68.15 68.18 2awl h THR 62 CO -0.26 0.18 -1.47 0.74 -0.25 0.00 0.00 175.52 174.46 2awl h THR 63 N 0.00 1.17 0.00 6.82 2.02 -1.72 -3.46 112.91 117.74 2awl h THR 63 Ca -0.00 -2.58 -0.12 0.00 0.77 0.00 0.00 66.41 64.48 2awl h THR 63 Cb 0.47 2.94 -0.04 0.00 -1.74 0.00 0.00 68.15 69.78 2awl h THR 63 CO 0.02 0.80 -0.05 0.18 0.37 0.00 0.00 175.52 176.84 2awl n LEU 64 N -3.76 3.35 0.00 2.58 4.77 -0.36 -5.00 117.00 118.57 2awl n LEU 64 Ca -0.20 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.57 2awl n LEU 64 Cb 1.03 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2awl n LEU 64 CO 0.54 0.90 0.00 1.33 -1.33 0.00 0.00 177.39 178.83 2awl n VAL 68 N 2.69 0.00 0.46 4.08 0.24 -1.26 -5.00 118.33 119.53 2awl n VAL 68 Ca 0.27 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.61 2awl n VAL 68 Cb 0.58 0.00 0.22 0.00 -1.47 0.00 0.00 33.84 33.17 2awl n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2awl n GLN 69 N 0.00 0.22 0.07 7.34 6.02 -1.26 -2.02 117.38 127.75 2awl n GLN 69 Ca 0.00 0.03 0.11 0.00 -0.01 0.00 0.00 57.00 57.13 2awl n GLN 69 Cb 0.00 -1.50 0.44 0.00 1.02 0.00 0.00 30.24 30.20 2awl n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2awl n PHE 71 N -1.92 0.73 -2.34 0.00 3.72 -0.86 -4.69 117.46 112.12 2awl n PHE 71 Ca 0.04 -0.37 -0.39 0.00 -0.05 0.00 0.00 57.45 56.68 2awl n PHE 71 Cb 0.26 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 2awl n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2awl s SER 72 N -1.06 6.80 -0.39 4.37 0.01 -0.95 -4.17 113.70 118.31 2awl s SER 72 Ca 0.39 2.35 -0.25 0.00 1.31 0.00 0.00 55.95 59.75 2awl s SER 72 Cb 0.20 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.83 2awl s SER 72 CO 0.27 -0.48 0.89 -0.60 0.41 0.00 0.00 173.24 173.72 2awl s ARG 73 N -1.98 3.74 -0.34 12.44 3.52 -0.06 -4.82 118.95 131.45 2awl s ARG 73 Ca 0.52 0.41 -0.12 0.00 -0.13 0.00 0.00 55.73 56.41 2awl s ARG 73 Cb -0.32 -3.83 -0.01 0.00 -1.56 0.00 0.00 34.95 29.23 2awl s ARG 73 CO 0.41 -0.99 0.23 0.71 -0.81 0.00 0.00 175.30 174.85 2awl s TYR 74 N 3.44 3.22 0.61 5.12 1.51 -1.26 -0.42 117.35 129.56 2awl s TYR 74 Ca 0.36 -0.37 -0.18 0.00 -1.01 0.00 0.00 57.07 55.87 2awl s TYR 74 Cb -0.12 -2.46 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 2awl s TYR 74 CO 0.20 -0.42 0.96 -2.30 -1.11 0.00 0.00 175.55 172.88 2awl n PRO 75 N 5.08 0.86 -0.33 -1.71 -0.02 -1.26 -4.68 135.00 132.93 2awl n PRO 75 Ca -0.13 0.34 0.22 0.00 -2.02 0.00 0.00 63.50 61.91 2awl n PRO 75 Cb 0.49 -2.17 0.49 0.00 -0.02 0.00 0.00 33.50 32.29 2awl n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2awl h ASP 76 N 0.41 0.48 0.81 2.55 3.58 -2.00 0.70 116.42 122.96 2awl h ASP 76 Ca -0.49 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2awl h ASP 76 Cb 1.37 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2awl h ASP 76 CO 0.50 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.94 2awl n HIS 77 N -4.68 0.40 -0.01 0.28 1.44 -1.26 -2.68 115.22 108.71 2awl n HIS 77 Ca 0.26 0.14 0.04 0.00 -2.01 0.00 0.00 57.72 56.15 2awl n HIS 77 Cb 0.87 -0.73 0.08 0.00 0.12 0.00 0.00 29.99 30.33 2awl n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2awl n MET 78 N -1.85 2.17 -0.21 -1.40 2.81 0.21 -4.76 117.12 114.09 2awl n MET 78 Ca 0.04 -1.62 0.16 0.00 -1.81 0.00 0.00 57.70 54.48 2awl n MET 78 Cb 0.26 -1.16 0.49 0.00 -0.71 0.00 0.00 33.22 32.10 2awl n MET 78 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2awl h LYS 79 N 1.34 0.44 0.00 0.03 2.10 -1.26 -0.99 116.57 118.23 2awl h LYS 79 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2awl h LYS 79 Cb 0.56 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2awl h LYS 79 CO 0.00 0.29 0.00 0.00 -2.00 0.00 0.00 179.45 177.74 2awl n GLN 80 N -4.50 0.35 -0.24 0.07 0.00 -1.26 -2.58 117.38 109.21 2awl n GLN 80 Ca 0.17 0.08 0.07 0.00 0.00 0.00 0.00 57.00 57.32 2awl n GLN 80 Cb 0.59 -1.50 0.20 0.00 0.00 0.00 0.00 30.24 29.53 2awl n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2awl n HIS 81 N -1.19 0.63 -2.99 2.61 8.25 -0.38 -4.65 115.22 117.51 2awl n HIS 81 Ca 0.10 -0.51 -0.44 0.00 -0.26 0.00 0.00 57.72 56.60 2awl n HIS 81 Cb 0.11 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 2awl n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2awl s ASP 82 N -1.02 6.54 0.02 0.41 -1.08 -1.06 -4.55 116.67 115.93 2awl s ASP 82 Ca 0.31 -1.93 -0.23 0.00 -0.52 0.00 0.00 52.55 50.18 2awl s ASP 82 Cb 0.17 -2.37 -0.17 0.00 -1.46 0.00 0.00 42.92 39.09 2awl s ASP 82 CO 0.20 -1.06 1.39 0.15 0.52 0.00 0.00 175.17 176.37 2awl h PHE 83 N 8.83 0.15 -0.59 -5.34 3.57 -1.91 -3.15 116.94 118.50 2awl h PHE 83 Ca 0.05 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.63 2awl h PHE 83 Cb 1.04 -0.04 -0.11 0.00 2.79 0.00 0.00 35.95 39.63 2awl h PHE 83 CO 1.09 0.48 -0.17 0.74 -2.23 0.00 0.00 178.31 178.22 2awl h PHE 84 N -0.23 -0.39 -0.02 0.41 0.04 -1.90 -2.21 116.94 112.64 2awl h PHE 84 Ca 0.02 0.06 -0.18 0.00 2.80 0.00 0.00 57.97 60.66 2awl h PHE 84 Cb 0.44 0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 2awl h PHE 84 CO 0.06 -0.28 -0.80 0.87 -0.60 0.00 0.00 178.31 177.56 2awl h LYS 85 N -0.03 0.23 0.00 1.51 1.57 -1.84 -3.25 116.57 114.77 2awl h LYS 85 Ca 0.28 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2awl h LYS 85 Cb 0.46 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 2awl h LYS 85 CO -0.62 0.91 -0.11 0.66 -0.57 0.00 0.00 179.45 179.72 2awl h SER 86 N 0.14 0.00 1.27 0.86 4.64 -1.37 -1.74 113.55 117.35 2awl h SER 86 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2awl h SER 86 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2awl h SER 86 CO 0.12 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.19 2awl n ALA 87 N -2.29 2.28 -1.97 5.18 0.00 -0.96 -4.51 120.51 118.24 2awl n ALA 87 Ca -0.02 -0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 2awl n ALA 87 Cb 0.22 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 2awl n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2awl s MET 88 N -3.07 4.04 0.47 0.00 1.00 -0.65 -0.41 119.30 120.68 2awl s MET 88 Ca 0.12 0.86 0.27 0.00 0.00 0.00 0.00 55.69 56.93 2awl s MET 88 Cb 0.15 -2.28 0.87 0.00 0.00 0.00 0.00 34.83 33.57 2awl s MET 88 CO 0.56 -0.02 1.80 -1.00 0.00 0.00 0.00 175.02 176.36 2awl h PRO 89 N 1.73 0.00 -0.48 2.03 0.13 -1.89 -3.34 132.00 130.18 2awl h PRO 89 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2awl h PRO 89 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2awl h PRO 89 CO 0.63 0.10 0.31 0.93 -0.23 0.00 0.00 178.00 179.74 2awl h GLU 90 N 0.00 0.63 0.00 0.86 3.07 -1.92 -2.84 114.58 114.38 2awl h GLU 90 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2awl h GLU 90 Cb 0.78 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2awl h GLU 90 CO 0.01 0.42 0.00 0.41 -1.40 0.00 0.00 179.01 178.45 2awl n GLY 91 N -1.45 -2.04 3.09 -3.84 0.00 0.45 -4.64 105.19 96.77 2awl n GLY 91 Ca 0.04 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 2awl n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2awl s TYR 92 N -0.11 0.41 -0.22 1.61 -0.85 -0.34 -1.10 117.35 116.76 2awl s TYR 92 Ca 0.00 -0.89 -0.10 0.00 -0.52 0.00 0.00 57.07 55.57 2awl s TYR 92 Cb 0.00 -0.30 -0.05 0.00 0.38 0.00 0.00 41.96 41.99 2awl s TYR 92 CO 0.00 -0.37 0.13 0.08 -1.52 0.00 0.00 175.55 173.86 2awl s VAL 93 N -3.47 5.22 -0.22 -3.49 1.01 0.97 -1.18 120.40 119.24 2awl s VAL 93 Ca 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2awl s VAL 93 Cb 0.04 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2awl s VAL 93 CO -0.08 0.40 -0.10 -1.58 0.00 0.00 0.00 175.10 173.74 2awl s GLN 94 N 0.71 3.10 -0.12 2.72 0.74 0.28 -1.50 119.66 125.59 2awl s GLN 94 Ca 0.07 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 54.71 2awl s GLN 94 Cb -0.13 -2.87 -0.00 0.00 1.10 0.00 0.00 33.01 31.12 2awl s GLN 94 CO 0.01 -0.26 -0.20 -1.21 -0.55 0.00 0.00 175.29 173.09 2awl s GLU 95 N 1.38 3.15 0.07 1.67 2.02 -0.05 -0.56 118.70 126.38 2awl s GLU 95 Ca 0.04 -0.81 0.05 0.00 0.02 0.00 0.00 54.97 54.27 2awl s GLU 95 Cb -0.15 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 2awl s GLU 95 CO -0.07 0.12 -0.14 0.15 0.02 0.00 0.00 175.26 175.35 2awl s LYS 96 N 0.52 0.80 -0.24 1.61 1.02 -0.82 -0.94 119.74 121.69 2awl s LYS 96 Ca -0.12 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 54.93 2awl s LYS 96 Cb -0.17 -0.78 0.06 0.00 -0.52 0.00 0.00 37.83 36.43 2awl s LYS 96 CO 0.05 0.17 -0.07 0.99 -0.92 0.00 0.00 175.35 175.56 2awl s THR 97 N -1.31 1.72 -0.41 2.17 2.01 -0.83 -0.94 115.64 118.05 2awl s THR 97 Ca -0.02 -1.33 -0.13 0.00 0.31 0.00 0.00 61.69 60.52 2awl s THR 97 Cb -0.10 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.53 2awl s THR 97 CO 0.02 -0.07 0.28 -0.63 -0.69 0.00 0.00 174.62 173.53 2awl s ILE 98 N 1.31 4.82 -0.43 1.82 1.01 0.10 -2.19 121.20 127.64 2awl s ILE 98 Ca -0.07 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 2awl s ILE 98 Cb -0.19 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.54 2awl s ILE 98 CO -0.06 -0.38 0.34 -0.44 0.00 0.00 0.00 174.94 174.40 2awl s SER 99 N 1.90 6.13 -0.22 3.58 0.01 0.53 -0.40 113.70 125.24 2awl s SER 99 Ca 0.03 -1.04 -0.26 0.00 1.31 0.00 0.00 55.95 56.00 2awl s SER 99 Cb -0.21 -2.17 -0.00 0.00 0.21 0.00 0.00 66.02 63.85 2awl s SER 99 CO 0.07 -0.52 0.89 -0.36 0.41 0.00 0.00 173.24 173.73 2awl s PHE 100 N 1.69 3.35 0.08 2.43 0.40 -0.71 -0.91 117.98 124.29 2awl s PHE 100 Ca 0.05 1.27 -0.34 0.00 -0.60 0.00 0.00 56.93 57.31 2awl s PHE 100 Cb -0.21 -3.11 -0.13 0.00 0.51 0.00 0.00 43.02 40.09 2awl s PHE 100 CO 0.09 -0.38 1.71 1.17 0.70 0.00 0.00 175.22 178.51 2awl n LYS 101 N 5.89 2.26 -1.50 0.44 4.81 -0.25 -1.56 118.16 128.24 2awl n LYS 101 Ca 0.07 0.82 -0.16 0.00 -0.87 0.00 0.00 58.31 58.18 2awl n LYS 101 Cb 0.47 -2.63 -0.06 0.00 0.02 0.00 0.00 35.03 32.83 2awl n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2awl n ASP 102 N 4.78 -4.87 -0.19 3.14 8.00 -1.26 -4.81 116.55 121.35 2awl n ASP 102 Ca 0.19 0.36 0.00 0.00 0.71 0.00 0.00 54.79 56.05 2awl n ASP 102 Cb 0.30 -3.76 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 2awl n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2awl n ASP 103 N -0.55 0.00 -2.56 -2.24 -0.08 -0.60 -4.94 116.55 105.58 2awl n ASP 103 Ca -0.16 -0.19 0.00 0.00 -1.51 0.00 0.00 54.79 52.94 2awl n ASP 103 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2awl n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2awl n GLY 104 N 0.00 -0.73 3.03 0.27 0.00 -1.19 -4.64 105.19 101.93 2awl n GLY 104 Ca 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 2awl n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2awl s ASN 105 N -1.00 0.20 -0.13 1.61 2.20 -0.74 -1.75 114.94 115.34 2awl s ASN 105 Ca 0.00 -0.48 -0.03 0.00 -0.94 0.00 0.00 52.86 51.41 2awl s ASN 105 Cb 0.00 0.15 -0.03 0.00 -2.00 0.00 0.00 41.25 39.36 2awl s ASN 105 CO 0.00 -0.37 -0.00 -0.31 -2.94 0.00 0.00 177.10 173.48 2awl s TYR 106 N -1.78 3.13 -0.19 1.54 2.02 0.47 -1.50 117.35 121.05 2awl s TYR 106 Ca -0.13 0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 2awl s TYR 106 Cb -0.07 -1.90 0.03 0.00 -0.40 0.00 0.00 41.96 39.63 2awl s TYR 106 CO -0.02 0.24 -0.14 0.15 -1.57 0.00 0.00 175.55 174.22 2awl s LYS 107 N -0.24 2.35 0.03 -0.62 -0.14 0.12 0.02 119.74 121.26 2awl s LYS 107 Ca 0.06 -0.82 0.05 0.00 -1.36 0.00 0.00 55.97 53.89 2awl s LYS 107 Cb -0.12 -2.42 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 2awl s LYS 107 CO 0.02 -0.34 -0.10 0.95 -0.76 0.00 0.00 175.35 175.12 2awl s THR 108 N 1.36 3.40 -0.05 2.17 -4.23 -0.11 -0.26 115.64 117.92 2awl s THR 108 Ca 0.01 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.54 2awl s THR 108 Cb -0.15 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.22 2awl s THR 108 CO -0.10 0.32 0.02 -0.60 -0.54 0.00 0.00 174.62 173.72 2awl s ARG 109 N -1.60 0.33 0.06 3.99 3.52 -0.58 -1.94 118.95 122.73 2awl s ARG 109 Ca 0.18 0.18 0.03 0.00 -0.13 0.00 0.00 55.73 55.99 2awl s ARG 109 Cb -0.11 -0.71 -0.03 0.00 -1.56 0.00 0.00 34.95 32.55 2awl s ARG 109 CO 0.08 -0.26 -0.10 0.00 -0.81 0.00 0.00 175.30 174.21 2awl s ALA 110 N 1.77 0.86 -0.19 6.12 0.00 0.28 -0.95 121.76 129.65 2awl s ALA 110 Ca 0.01 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2awl s ALA 110 Cb -0.13 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.01 2awl s ALA 110 CO -0.04 0.05 -0.17 -1.21 0.00 0.00 0.00 175.76 174.40 2awl s GLU 111 N -1.78 2.66 -0.24 0.00 2.02 -0.48 -0.55 118.70 120.33 2awl s GLU 111 Ca -0.05 -0.90 -0.04 0.00 0.02 0.00 0.00 54.97 54.00 2awl s GLU 111 Cb -0.09 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.58 2awl s GLU 111 CO 0.01 -0.30 -0.03 0.08 0.02 0.00 0.00 175.26 175.04 2awl s VAL 112 N 1.29 3.32 0.25 2.63 1.01 -0.33 -1.72 120.40 126.84 2awl s VAL 112 Ca 0.02 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 2awl s VAL 112 Cb -0.15 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2awl s VAL 112 CO -0.11 0.31 0.72 -1.59 0.00 0.00 0.00 175.10 174.43 2awl s LYS 113 N 1.44 1.65 0.08 2.72 -2.85 -0.61 -1.20 119.74 120.97 2awl s LYS 113 Ca 0.04 -0.87 -0.25 0.00 -1.00 0.00 0.00 55.97 53.89 2awl s LYS 113 Cb -0.15 0.59 -0.06 0.00 -2.06 0.00 0.00 37.83 36.14 2awl s LYS 113 CO -0.03 -0.75 0.77 -0.06 0.10 0.00 0.00 175.35 175.38 2awl s PHE 114 N -3.83 3.79 -0.55 1.78 0.08 -1.07 -0.39 117.98 117.79 2awl s PHE 114 Ca 0.09 1.53 0.04 0.00 0.12 0.00 0.00 56.93 58.71 2awl s PHE 114 Cb -0.05 -2.80 0.15 0.00 -0.57 0.00 0.00 43.02 39.75 2awl s PHE 114 CO 0.03 0.36 0.34 -1.21 -0.10 0.00 0.00 175.22 174.64 2awl s GLU 115 N -0.43 1.83 5.92 0.44 0.41 0.71 -4.93 118.70 122.66 2awl s GLU 115 Ca 0.38 -2.63 0.00 0.00 -0.41 0.00 0.00 54.97 52.30 2awl s GLU 115 Cb -0.21 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 2awl s GLU 115 CO 0.24 -1.21 0.00 0.41 -0.49 0.00 0.00 175.26 174.21 2awl n GLY 116 N 2.83 1.14 1.27 -1.39 0.00 -1.26 -2.92 105.19 104.86 2awl n GLY 116 Ca 0.13 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.58 2awl n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2awl n ASP 117 N 6.78 3.79 -4.58 1.61 10.43 -1.26 -4.91 116.55 128.40 2awl n ASP 117 Ca 0.00 -1.99 -0.34 0.00 2.57 0.00 0.00 54.79 55.02 2awl n ASP 117 Cb 0.00 -0.42 -0.11 0.00 1.84 0.00 0.00 41.12 42.44 2awl n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2awl s THR 118 N -1.12 4.34 -0.16 -3.53 2.01 -1.15 -4.35 115.64 111.68 2awl s THR 118 Ca 0.45 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 62.02 2awl s THR 118 Cb 0.24 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 2awl s THR 118 CO 0.32 0.50 0.72 -0.22 -0.69 0.00 0.00 174.62 175.24 2awl s LEU 119 N 0.18 4.20 -0.04 4.42 1.98 -0.29 -0.21 118.68 128.92 2awl s LEU 119 Ca 0.01 1.04 0.05 0.00 -2.89 0.00 0.00 54.13 52.34 2awl s LEU 119 Cb -0.13 -3.06 -0.02 0.00 0.66 0.00 0.00 46.19 43.64 2awl s LEU 119 CO 0.02 -0.28 -0.19 -0.69 -1.89 0.00 0.00 176.35 173.32 2awl s VAL 120 N 1.73 2.63 -0.32 1.68 1.01 0.48 -1.62 120.40 125.98 2awl s VAL 120 Ca 0.34 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2awl s VAL 120 Cb -0.16 -1.99 0.10 0.00 0.00 0.00 0.00 36.38 34.32 2awl s VAL 120 CO 0.13 0.58 0.05 0.21 0.00 0.00 0.00 175.10 176.07 2awl s ASN 121 N -0.59 4.50 -0.31 3.32 2.47 -0.24 -1.57 114.94 122.52 2awl s ASN 121 Ca 0.09 -1.93 -0.13 0.00 0.42 0.00 0.00 52.86 51.31 2awl s ASN 121 Cb -0.11 -1.39 -0.03 0.00 -1.45 0.00 0.00 41.25 38.27 2awl s ASN 121 CO 0.00 -0.37 0.27 -0.13 -3.72 0.00 0.00 177.10 173.15 2awl s ARG 122 N 1.13 3.76 0.03 0.43 0.52 -0.70 -0.95 118.95 123.17 2awl s ARG 122 Ca 0.09 -0.37 0.08 0.00 -0.52 0.00 0.00 55.73 55.01 2awl s ARG 122 Cb -0.19 -3.73 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 2awl s ARG 122 CO -0.12 -0.34 -0.22 0.42 0.02 0.00 0.00 175.30 175.06 2awl s ILE 123 N 1.86 1.77 -0.21 1.52 1.01 0.11 -1.38 121.20 125.88 2awl s ILE 123 Ca 0.09 -1.18 -0.00 0.00 0.00 0.00 0.00 60.65 59.56 2awl s ILE 123 Cb -0.16 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.81 2awl s ILE 123 CO 0.11 0.30 -0.14 -1.61 0.00 0.00 0.00 174.94 173.60 2awl s GLU 124 N -1.05 2.98 -0.10 2.79 2.02 -0.13 -1.06 118.70 124.17 2awl s GLU 124 Ca 0.08 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.24 2awl s GLU 124 Cb -0.09 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 2awl s GLU 124 CO 0.01 -0.27 -0.17 -1.17 0.02 0.00 0.00 175.26 173.69 2awl s LEU 125 N 1.32 2.54 -0.19 1.80 0.20 0.37 -1.53 118.68 123.20 2awl s LEU 125 Ca 0.03 -0.35 -0.00 0.00 0.69 0.00 0.00 54.13 54.50 2awl s LEU 125 Cb -0.14 -1.53 0.05 0.00 -0.43 0.00 0.00 46.19 44.13 2awl s LEU 125 CO -0.09 0.22 -0.05 -0.75 -0.29 0.00 0.00 176.35 175.39 2awl s LYS 126 N 0.01 1.45 -0.17 1.98 2.47 0.65 -1.56 119.74 124.56 2awl s LYS 126 Ca -0.05 -0.64 -0.05 0.00 -1.56 0.00 0.00 55.97 53.67 2awl s LYS 126 Cb -0.15 -2.19 -0.03 0.00 -1.46 0.00 0.00 37.83 34.01 2awl s LYS 126 CO 0.05 -0.49 -0.01 0.20 0.16 0.00 0.00 175.35 175.25 2awl s GLY 127 N 1.58 1.75 0.15 5.54 0.00 0.21 0.14 107.32 116.69 2awl s GLY 127 Ca -0.01 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 43.91 2awl s GLY 127 CO -0.07 0.01 -0.09 -0.26 0.00 0.00 0.00 173.10 172.68 2awl s ILE 128 N 0.48 1.16 -1.50 0.90 -4.36 -0.56 -1.57 121.20 115.75 2awl s ILE 128 Ca -0.02 -2.06 -0.02 0.00 -0.26 0.00 0.00 60.65 58.28 2awl s ILE 128 Cb -0.14 -1.90 0.01 0.00 1.25 0.00 0.00 42.46 41.69 2awl s ILE 128 CO 0.02 -0.71 0.24 0.47 0.24 0.00 0.00 174.94 175.21 2awl n ASP 129 N -0.22 -5.28 -4.78 4.36 8.00 -1.26 -1.79 116.55 115.58 2awl n ASP 129 Ca -0.10 -0.09 -0.38 0.00 0.71 0.00 0.00 54.79 54.93 2awl n ASP 129 Cb 0.61 -4.36 -0.06 0.00 -0.02 0.00 0.00 41.12 37.28 2awl n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2awl s PHE 130 N -2.98 3.80 0.11 1.24 0.40 -1.26 -3.16 117.98 116.13 2awl s PHE 130 Ca 0.14 1.64 -0.30 0.00 -0.60 0.00 0.00 56.93 57.81 2awl s PHE 130 Cb -0.06 -2.79 -0.06 0.00 0.51 0.00 0.00 43.02 40.61 2awl s PHE 130 CO 0.17 0.38 1.01 0.15 0.70 0.00 0.00 175.22 177.64 2awl s LYS 131 N -1.60 4.64 0.51 0.44 1.02 -1.26 -4.92 119.74 118.56 2awl s LYS 131 Ca 0.42 1.53 0.25 0.00 0.02 0.00 0.00 55.97 58.20 2awl s LYS 131 Cb -0.21 -3.36 1.35 0.00 -0.52 0.00 0.00 37.83 35.09 2awl s LYS 131 CO 0.25 0.12 1.93 0.93 -0.92 0.00 0.00 175.35 177.66 2awl h GLU 132 N 5.70 0.10 0.00 1.68 3.07 -1.96 -2.01 114.58 121.16 2awl h GLU 132 Ca -0.43 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.41 2awl h GLU 132 Cb 1.21 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 29.06 2awl h GLU 132 CO 0.73 0.07 -0.31 -3.47 -1.40 0.00 0.00 179.01 174.62 2awl n ASP 133 N -4.37 1.67 -3.20 1.42 2.03 -1.26 -3.97 116.55 108.87 2awl n ASP 133 Ca 0.15 -3.03 -0.19 0.00 0.52 0.00 0.00 54.79 52.24 2awl n ASP 133 Cb 0.74 -0.41 0.15 0.00 -0.72 0.00 0.00 41.12 40.89 2awl n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2awl n GLY 134 N -0.94 -2.29 0.21 0.27 0.00 -0.76 -4.67 105.19 97.01 2awl n GLY 134 Ca 0.13 -1.54 0.06 0.00 0.00 0.00 0.00 46.02 44.67 2awl n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2awl h ASN 135 N -1.84 0.00 0.00 1.61 2.35 -1.94 -1.28 115.58 114.48 2awl h ASN 135 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2awl h ASN 135 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2awl h ASN 135 CO 0.18 0.28 -0.14 0.40 -1.65 0.00 0.00 177.43 176.50 2awl h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.92 -1.56 117.51 121.87 2awl h ILE 136 Ca -0.00 -0.59 -0.01 0.00 -0.12 0.00 0.00 64.86 64.13 2awl h ILE 136 Cb 0.55 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.34 2awl h ILE 136 CO 0.04 0.00 -0.06 -0.07 -0.68 0.00 0.00 178.15 177.38 2awl h LEU 137 N -0.59 0.00 -1.08 1.44 3.38 -1.75 -2.35 115.31 114.36 2awl h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2awl h LEU 137 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2awl h LEU 137 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2awl n GLY 138 N -0.19 0.18 3.75 0.83 0.00 -0.48 -4.86 105.19 104.42 2awl n GLY 138 Ca -0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 2awl n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2awl n HIS 139 N 0.29 -1.84 -0.07 1.61 8.25 -0.88 -4.92 115.22 117.66 2awl n HIS 139 Ca 0.18 0.60 0.11 0.00 -0.26 0.00 0.00 57.72 58.35 2awl n HIS 139 Cb 0.35 -3.69 0.25 0.00 1.12 0.00 0.00 29.99 28.02 2awl n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2awl n LYS 140 N -4.24 2.58 -3.53 -0.41 5.02 -0.59 -4.97 118.16 112.02 2awl n LYS 140 Ca -0.19 -2.37 -0.38 0.00 -2.02 0.00 0.00 58.31 53.35 2awl n LYS 140 Cb 0.63 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 2awl n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2awl s LEU 141 N -1.17 4.42 0.47 -0.35 1.43 -1.25 -0.93 118.68 121.30 2awl s LEU 141 Ca 0.40 0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 54.12 2awl s LEU 141 Cb 0.22 -2.51 -0.08 0.00 0.03 0.00 0.00 46.19 43.85 2awl s LEU 141 CO 0.29 0.27 1.11 -1.61 0.23 0.00 0.00 176.35 176.64 2awl s GLU 142 N -0.71 3.78 -1.39 1.70 2.02 0.14 -4.84 118.70 119.39 2awl s GLU 142 Ca 0.22 1.60 -0.13 0.00 0.02 0.00 0.00 54.97 56.67 2awl s GLU 142 Cb -0.16 -2.29 0.08 0.00 0.10 0.00 0.00 34.13 31.86 2awl s GLU 142 CO 0.11 -0.49 2.07 0.98 0.02 0.00 0.00 175.26 177.94 2awl n TYR 143 N -0.66 3.56 -3.93 1.61 9.36 -1.26 -4.80 117.16 121.05 2awl n TYR 143 Ca 0.08 -2.93 -0.11 0.00 3.32 0.00 0.00 57.90 58.26 2awl n TYR 143 Cb 0.50 -2.41 -0.00 0.00 -0.63 0.00 0.00 39.34 36.79 2awl n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2awl s ASN 144 N 2.73 0.37 -0.15 2.98 2.20 -1.26 -4.86 114.94 116.95 2awl s ASN 144 Ca 0.46 -1.27 -0.13 0.00 -0.94 0.00 0.00 52.86 50.98 2awl s ASN 144 Cb 0.11 0.77 0.04 0.00 -2.00 0.00 0.00 41.25 40.17 2awl s ASN 144 CO -0.05 -1.51 0.39 -0.47 -2.94 0.00 0.00 177.10 172.52 2awl s TYR 145 N -2.68 -0.46 0.47 1.54 5.04 -1.26 -4.86 117.35 115.13 2awl s TYR 145 Ca 0.22 1.09 -0.00 0.00 -2.44 0.00 0.00 57.07 55.93 2awl s TYR 145 Cb -0.03 0.17 -0.00 0.00 0.35 0.00 0.00 41.96 42.44 2awl s TYR 145 CO 0.15 -0.23 0.70 -0.80 -1.34 0.00 0.00 175.55 174.03 2awl s ASN 146 N 0.47 5.80 -0.05 4.32 0.01 -1.26 -4.67 114.94 119.56 2awl s ASN 146 Ca -0.02 0.34 -0.23 0.00 -0.71 0.00 0.00 52.86 52.24 2awl s ASN 146 Cb -0.04 -1.55 -0.04 0.00 0.41 0.00 0.00 41.25 40.02 2awl s ASN 146 CO -0.02 -0.75 0.67 -0.44 -1.51 0.00 0.00 177.10 175.05 2awl s SER 147 N -4.23 6.98 0.23 -1.22 0.01 -1.26 -4.56 113.70 109.65 2awl s SER 147 Ca 0.49 1.18 0.03 0.00 1.31 0.00 0.00 55.95 58.96 2awl s SER 147 Cb -0.10 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 2awl s SER 147 CO 0.39 -0.06 0.01 -1.00 0.41 0.00 0.00 173.24 173.00 2awl s HIS 148 N 0.53 1.55 -0.15 2.43 3.76 -0.96 -4.99 115.29 117.46 2awl s HIS 148 Ca 0.36 -0.97 0.01 0.00 -0.15 0.00 0.00 55.06 54.31 2awl s HIS 148 Cb -0.18 -0.91 0.00 0.00 1.11 0.00 0.00 32.58 32.61 2awl s HIS 148 CO 0.18 -0.09 -0.18 -0.80 -0.85 0.00 0.00 174.74 173.00 2awl s ASN 149 N -3.30 3.46 -0.51 1.40 0.01 -1.26 -0.95 114.94 113.78 2awl s ASN 149 Ca 0.30 -0.52 -0.16 0.00 -0.71 0.00 0.00 52.86 51.76 2awl s ASN 149 Cb 0.06 -1.52 0.11 0.00 0.41 0.00 0.00 41.25 40.31 2awl s ASN 149 CO 0.09 0.08 0.46 -0.69 -1.51 0.00 0.00 177.10 175.53 2awl s VAL 150 N 0.86 5.21 -0.42 1.60 1.01 -0.21 -4.67 120.40 123.78 2awl s VAL 150 Ca -0.05 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.33 2awl s VAL 150 Cb -0.15 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 31.99 2awl s VAL 150 CO -0.01 -0.76 1.15 -0.31 0.00 0.00 0.00 175.10 175.17 2awl s TYR 151 N 1.64 2.87 -0.06 5.22 2.02 -1.14 -1.58 117.35 126.32 2awl s TYR 151 Ca 0.04 0.86 -0.04 0.00 -0.37 0.00 0.00 57.07 57.55 2awl s TYR 151 Cb -0.27 -4.19 -0.04 0.00 -0.40 0.00 0.00 41.96 37.06 2awl s TYR 151 CO 0.05 -1.22 0.13 0.42 -1.57 0.00 0.00 175.55 173.36 2awl s ILE 152 N 4.31 5.25 0.03 2.71 1.01 0.32 -1.35 121.20 133.47 2awl s ILE 152 Ca 0.49 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 61.00 2awl s ILE 152 Cb -0.10 -3.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.01 2awl s ILE 152 CO 0.27 0.47 0.13 0.28 0.00 0.00 0.00 174.94 176.09 2awl s THR 153 N -1.15 0.11 0.33 2.92 -1.32 -0.51 -2.52 115.64 113.49 2awl s THR 153 Ca 0.20 -0.90 -0.27 0.00 -1.21 0.00 0.00 61.69 59.51 2awl s THR 153 Cb -0.12 -0.72 -0.09 0.00 -1.51 0.00 0.00 72.50 70.05 2awl s THR 153 CO 0.11 -0.50 1.04 0.00 -2.21 0.00 0.00 174.62 173.06 2awl s ALA 154 N -2.14 3.25 -0.52 11.08 0.00 -1.25 -0.99 121.76 131.18 2awl s ALA 154 Ca -0.09 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.64 2awl s ALA 154 Cb -0.04 -3.27 0.14 0.00 0.00 0.00 0.00 23.12 19.96 2awl s ALA 154 CO -0.02 -0.09 0.31 0.34 0.00 0.00 0.00 175.76 176.30 2awl s ASP 155 N -1.29 3.93 0.58 0.00 2.15 0.12 -4.74 116.67 117.41 2awl s ASP 155 Ca 0.50 -3.06 0.33 0.00 0.43 0.00 0.00 52.55 50.74 2awl s ASP 155 Cb -0.25 -1.30 1.76 0.00 -0.30 0.00 0.00 42.92 42.82 2awl s ASP 155 CO 0.32 -0.21 2.17 0.11 -0.17 0.00 0.00 175.17 177.40 2awl h LYS 156 N 6.26 0.00 -0.34 4.34 1.57 -1.95 -0.81 116.57 125.63 2awl h LYS 156 Ca 0.03 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 2awl h LYS 156 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2awl h LYS 156 CO 0.59 0.05 -0.31 0.37 -0.57 0.00 0.00 179.45 179.58 2awl h GLN 157 N 0.00 0.82 -0.64 3.15 4.15 -1.93 -3.11 115.11 117.55 2awl h GLN 157 Ca -0.00 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.00 2awl h GLN 157 Cb 0.20 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.90 2awl h GLN 157 CO 0.01 1.06 0.00 1.63 -1.93 0.00 0.00 178.83 179.59 2awl n LYS 158 N -4.18 2.67 -2.91 1.69 5.02 -1.02 -4.96 118.16 114.47 2awl n LYS 158 Ca -0.03 -2.56 -0.21 0.00 -2.02 0.00 0.00 58.31 53.49 2awl n LYS 158 Cb 0.49 -1.55 0.02 0.00 -0.02 0.00 0.00 35.03 33.97 2awl n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2awl n ASN 159 N 1.59 -5.37 0.00 4.39 5.15 -0.70 -4.62 115.26 115.69 2awl n ASN 159 Ca 0.23 -0.20 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 2awl n ASN 159 Cb 0.62 -4.40 0.00 0.00 -0.53 0.00 0.00 39.78 35.47 2awl n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2awl n GLY 160 N -1.29 5.12 3.36 8.20 0.00 -0.39 -4.47 105.19 115.72 2awl n GLY 160 Ca -0.12 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 2awl n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2awl s ILE 161 N 0.79 0.99 0.04 -0.61 -4.36 -0.85 0.12 121.20 117.32 2awl s ILE 161 Ca 0.00 -2.02 0.05 0.00 -0.26 0.00 0.00 60.65 58.42 2awl s ILE 161 Cb 0.00 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 2awl s ILE 161 CO 0.00 -0.19 -0.13 -0.54 0.24 0.00 0.00 174.94 174.31 2awl s LYS 162 N -3.90 0.88 -0.01 0.37 1.02 -0.16 -0.86 119.74 117.09 2awl s LYS 162 Ca 0.32 -0.76 0.02 0.00 0.02 0.00 0.00 55.97 55.57 2awl s LYS 162 Cb 0.07 -0.88 0.00 0.00 -0.52 0.00 0.00 37.83 36.50 2awl s LYS 162 CO 0.11 0.21 -0.05 0.00 -0.92 0.00 0.00 175.35 174.70 2awl s ALA 163 N -0.90 0.49 -0.12 5.17 0.00 -0.12 -1.43 121.76 124.85 2awl s ALA 163 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 2awl s ALA 163 Cb -0.08 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.90 2awl s ALA 163 CO 0.01 0.09 -0.08 -0.80 0.00 0.00 0.00 175.76 174.98 2awl s ASN 164 N 0.04 2.27 0.11 0.00 0.01 -0.46 -0.27 114.94 116.64 2awl s ASN 164 Ca -0.00 -0.34 -0.15 0.00 -0.71 0.00 0.00 52.86 51.66 2awl s ASN 164 Cb -0.04 -0.89 0.03 0.00 0.41 0.00 0.00 41.25 40.76 2awl s ASN 164 CO -0.00 -0.11 0.37 0.72 -1.51 0.00 0.00 177.10 176.57 2awl s PHE 165 N 1.68 -0.16 -0.18 2.20 -0.12 -1.00 -2.91 117.98 117.48 2awl s PHE 165 Ca 0.05 -0.14 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 2awl s PHE 165 Cb -0.13 0.21 0.02 0.00 -0.63 0.00 0.00 43.02 42.50 2awl s PHE 165 CO -0.09 -0.66 -0.19 0.15 -0.05 0.00 0.00 175.22 174.38 2awl s LYS 166 N -3.64 2.88 -0.20 1.99 1.02 -1.26 -0.70 119.74 119.84 2awl s LYS 166 Ca 0.02 -0.84 -0.11 0.00 0.02 0.00 0.00 55.97 55.07 2awl s LYS 166 Cb 0.02 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.73 2awl s LYS 166 CO -0.11 -0.24 0.15 0.42 -0.92 0.00 0.00 175.35 174.66 2awl s ILE 167 N 1.30 5.39 -0.32 2.17 -1.09 -0.52 -4.89 121.20 123.24 2awl s ILE 167 Ca 0.04 0.24 -0.07 0.00 -2.23 0.00 0.00 60.65 58.63 2awl s ILE 167 Cb -0.13 -3.49 0.02 0.00 -1.58 0.00 0.00 42.46 37.28 2awl s ILE 167 CO -0.12 0.43 0.10 0.00 -1.23 0.00 0.00 174.94 174.12 2awl s ARG 168 N 0.41 2.88 -0.18 2.79 1.70 -1.26 -0.14 118.95 125.14 2awl s ARG 168 Ca 0.09 -1.01 -0.16 0.00 -0.47 0.00 0.00 55.73 54.18 2awl s ARG 168 Cb -0.11 -3.44 -0.04 0.00 -0.57 0.00 0.00 34.95 30.79 2awl s ARG 168 CO -0.01 -0.56 0.41 -1.01 -1.08 0.00 0.00 175.30 173.06 2awl s HIS 169 N 1.47 3.42 -0.08 5.89 3.76 -0.06 -4.52 115.29 125.15 2awl s HIS 169 Ca 0.01 0.69 -0.30 0.00 -0.15 0.00 0.00 55.06 55.31 2awl s HIS 169 Cb -0.18 -2.52 -0.03 0.00 1.11 0.00 0.00 32.58 30.96 2awl s HIS 169 CO 0.03 0.06 1.25 -0.80 -0.85 0.00 0.00 174.74 174.42 2awl s ASN 170 N 0.88 6.99 0.35 1.40 0.01 -1.26 -0.30 114.94 123.00 2awl s ASN 170 Ca 0.21 1.81 -0.10 0.00 -0.71 0.00 0.00 52.86 54.07 2awl s ASN 170 Cb -0.15 -2.55 -0.07 0.00 0.41 0.00 0.00 41.25 38.90 2awl s ASN 170 CO 0.08 -0.66 0.70 -0.63 -1.51 0.00 0.00 177.10 175.08 2awl s ILE 171 N 2.67 4.83 0.66 0.60 1.01 -0.32 -0.69 121.20 129.96 2awl s ILE 171 Ca 0.57 0.56 0.39 0.00 0.00 0.00 0.00 60.65 62.16 2awl s ILE 171 Cb -0.25 -3.70 0.39 0.00 0.01 0.00 0.00 42.46 38.92 2awl s ILE 171 CO 0.20 -0.37 2.21 1.05 0.00 0.00 0.00 174.94 178.03 2awl h GLU 172 N 1.65 0.00 -0.08 2.79 4.11 -1.34 -2.36 114.58 119.36 2awl h GLU 172 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2awl h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2awl h GLU 172 CO 0.65 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.33 2awl n ASP 173 N -3.05 2.22 0.00 3.06 5.75 -1.26 -4.94 116.55 118.33 2awl n ASP 173 Ca -0.02 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 2awl n ASP 173 Cb 0.19 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2awl n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2awl n GLY 174 N 1.26 0.41 3.95 6.12 0.00 -0.89 -5.09 105.19 110.96 2awl n GLY 174 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2awl n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2awl s SER 175 N -1.92 3.13 0.02 1.61 0.15 -1.26 -4.85 113.70 110.60 2awl s SER 175 Ca 0.00 0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.80 2awl s SER 175 Cb 0.00 -0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.16 2awl s SER 175 CO 0.00 -2.71 -0.16 0.68 1.20 0.00 0.00 173.24 172.26 2awl s VAL 176 N -3.82 1.24 -0.33 4.45 -7.23 -1.26 -1.17 120.40 112.28 2awl s VAL 176 Ca 0.74 -0.93 -0.08 0.00 -1.81 0.00 0.00 61.98 59.91 2awl s VAL 176 Cb -0.03 -1.09 0.02 0.00 0.56 0.00 0.00 36.38 35.85 2awl s VAL 176 CO 0.52 0.14 0.12 -1.58 -0.31 0.00 0.00 175.10 174.00 2awl s GLN 177 N -0.91 2.86 0.00 4.82 2.00 0.58 -4.92 119.66 124.10 2awl s GLN 177 Ca 0.04 -1.03 -0.29 0.00 -2.00 0.00 0.00 55.36 52.08 2awl s GLN 177 Cb -0.07 -3.49 -0.03 0.00 0.80 0.00 0.00 33.01 30.21 2awl s GLN 177 CO 0.01 -0.59 0.94 -1.17 -0.50 0.00 0.00 175.29 173.98 2awl s LEU 178 N 1.48 4.38 -0.38 3.68 2.96 -1.26 -0.89 118.68 128.65 2awl s LEU 178 Ca 0.01 1.61 0.03 0.00 -0.22 0.00 0.00 54.13 55.56 2awl s LEU 178 Cb -0.19 -3.51 0.11 0.00 0.50 0.00 0.00 46.19 43.11 2awl s LEU 178 CO 0.04 -0.22 0.12 0.00 -1.32 0.00 0.00 176.35 174.97 2awl s ALA 179 N 0.87 2.68 -0.05 5.97 0.00 0.80 -1.09 121.76 130.93 2awl s ALA 179 Ca 0.50 -2.55 -0.30 0.00 0.00 0.00 0.00 51.96 49.60 2awl s ALA 179 Cb -0.21 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 2awl s ALA 179 CO 0.27 -1.79 1.18 -0.51 0.00 0.00 0.00 175.76 174.90 2awl s ASP 180 N 0.72 7.08 -0.13 0.00 1.01 -0.09 -1.44 116.67 123.81 2awl s ASP 180 Ca 0.13 1.80 -0.01 0.00 0.71 0.00 0.00 52.55 55.17 2awl s ASP 180 Cb -0.21 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.14 2awl s ASP 180 CO -0.08 -0.56 -0.09 -1.00 0.21 0.00 0.00 175.17 173.65 2awl s HIS 181 N 2.11 2.90 -0.21 4.23 3.76 0.12 -0.34 115.29 127.86 2awl s HIS 181 Ca 0.55 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.06 2awl s HIS 181 Cb -0.24 -1.86 0.05 0.00 1.11 0.00 0.00 32.58 31.64 2awl s HIS 181 CO 0.22 -0.06 -0.06 -0.47 -0.85 0.00 0.00 174.74 173.52 2awl s TYR 182 N 0.16 2.24 0.05 1.40 5.04 -0.93 -2.38 117.35 122.93 2awl s TYR 182 Ca -0.05 -1.57 0.05 0.00 -2.44 0.00 0.00 57.07 53.07 2awl s TYR 182 Cb -0.14 -1.53 -0.04 0.00 0.35 0.00 0.00 41.96 40.60 2awl s TYR 182 CO 0.04 -0.73 -0.07 -1.14 -1.34 0.00 0.00 175.55 172.30 2awl s GLN 183 N 1.45 2.41 -0.06 4.97 0.74 0.63 -1.96 119.66 127.84 2awl s GLN 183 Ca -0.03 -0.84 -0.02 0.00 0.05 0.00 0.00 55.36 54.52 2awl s GLN 183 Cb -0.17 -2.44 0.04 0.00 1.10 0.00 0.00 33.01 31.54 2awl s GLN 183 CO -0.07 0.56 0.11 -0.65 -0.55 0.00 0.00 175.29 174.69 2awl s GLN 184 N -1.79 0.01 -0.07 1.67 -0.21 -0.11 -0.94 119.66 118.22 2awl s GLN 184 Ca 0.20 0.40 0.05 0.00 0.02 0.00 0.00 55.36 56.02 2awl s GLN 184 Cb -0.11 -0.30 -0.01 0.00 1.00 0.00 0.00 33.01 33.59 2awl s GLN 184 CO 0.11 -0.25 -0.22 -0.80 -2.12 0.00 0.00 175.29 172.01 2awl s ASN 185 N 1.74 3.32 -0.03 5.90 -0.87 -0.04 -0.87 114.94 124.08 2awl s ASN 185 Ca -0.02 -0.45 0.01 0.00 -1.57 0.00 0.00 52.86 50.83 2awl s ASN 185 Cb -0.12 -0.97 0.02 0.00 -0.02 0.00 0.00 41.25 40.16 2awl s ASN 185 CO -0.05 0.24 -0.04 -0.89 -2.57 0.00 0.00 177.10 173.79 2awl s THR 186 N -0.15 0.48 0.42 1.60 2.01 -0.56 -2.01 115.64 117.43 2awl s THR 186 Ca -0.03 -0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.58 2awl s THR 186 Cb -0.14 -0.49 -0.08 0.00 0.01 0.00 0.00 72.50 71.80 2awl s THR 186 CO 0.04 0.19 1.22 -2.16 -0.69 0.00 0.00 174.62 173.22 2awl s PRO 187 N 0.65 3.93 0.00 4.92 0.04 -1.26 -0.02 135.00 143.25 2awl s PRO 187 Ca -0.08 1.94 -0.18 0.00 0.04 0.00 0.00 61.00 62.72 2awl s PRO 187 Cb -0.12 -2.63 -0.34 0.00 0.04 0.00 0.00 34.50 31.45 2awl s PRO 187 CO -0.00 -0.46 0.96 0.82 0.04 0.00 0.00 177.00 178.36 2awl h ILE 188 N 2.24 1.37 -4.28 0.56 2.04 -1.39 -3.45 117.51 114.59 2awl h ILE 188 Ca -0.49 -2.63 -0.48 0.00 1.00 0.00 0.00 64.86 62.25 2awl h ILE 188 Cb 1.24 3.10 0.08 0.00 -0.74 0.00 0.00 36.82 40.51 2awl h ILE 188 CO 0.62 0.77 0.35 -0.83 0.00 0.00 0.00 178.15 179.06 2awl s GLY 189 N -4.53 1.62 -0.09 5.37 0.00 -1.26 -5.00 107.32 103.43 2awl s GLY 189 Ca -0.11 -0.53 0.17 0.00 0.00 0.00 0.00 44.72 44.26 2awl s GLY 189 CO 0.90 -0.15 1.56 2.09 0.00 0.00 0.00 173.10 177.51 2awl n ASP 190 N -2.98 4.37 -4.88 1.64 3.85 -1.26 -4.96 116.55 112.32 2awl n ASP 190 Ca 0.07 -2.37 -0.29 0.00 -0.71 0.00 0.00 54.79 51.48 2awl n ASP 190 Cb 0.58 -0.55 -0.00 0.00 -1.35 0.00 0.00 41.12 39.80 2awl n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2awl s GLY 191 N -0.87 1.64 0.25 6.12 0.00 -1.26 -5.03 107.32 108.17 2awl s GLY 191 Ca 0.47 -0.26 -0.30 0.00 0.00 0.00 0.00 44.72 44.63 2awl s GLY 191 CO 0.24 -0.04 1.43 2.56 0.00 0.00 0.00 173.10 177.28 2awl s PRO 192 N -4.81 4.28 0.32 2.90 0.04 -1.26 -5.05 135.00 131.42 2awl s PRO 192 Ca 0.52 2.28 0.10 0.00 0.04 0.00 0.00 61.00 63.94 2awl s PRO 192 Cb -0.11 -3.11 -0.06 0.00 0.04 0.00 0.00 34.50 31.26 2awl s PRO 192 CO 0.47 -0.40 -0.10 0.14 0.04 0.00 0.00 177.00 177.15 2awl s VAL 193 N -0.03 2.48 -0.23 -0.36 -7.23 -1.26 -4.85 120.40 108.93 2awl s VAL 193 Ca 0.59 -2.19 -0.21 0.00 -1.81 0.00 0.00 61.98 58.36 2awl s VAL 193 Cb -0.41 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.91 2awl s VAL 193 CO 0.43 -0.27 0.64 -0.76 -0.31 0.00 0.00 175.10 174.83 2awl s LEU 194 N -3.61 4.10 -0.45 1.32 1.43 -1.26 -5.03 118.68 115.18 2awl s LEU 194 Ca 0.32 0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 54.03 2awl s LEU 194 Cb -0.01 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.37 2awl s LEU 194 CO 0.17 -0.33 0.47 -0.76 0.23 0.00 0.00 176.35 176.13 2awl s LEU 195 N 2.24 5.06 0.67 1.79 2.01 -1.26 -4.09 118.68 125.10 2awl s LEU 195 Ca 0.28 -0.88 -0.11 0.00 0.01 0.00 0.00 54.13 53.42 2awl s LEU 195 Cb -0.16 -2.35 -0.01 0.00 0.01 0.00 0.00 46.19 43.68 2awl s LEU 195 CO 0.09 -0.67 1.07 -2.16 1.01 0.00 0.00 176.35 175.69 2awl s PRO 196 N 2.15 3.14 0.56 1.29 0.04 -1.26 -4.94 135.00 135.97 2awl s PRO 196 Ca 0.11 0.55 -0.04 0.00 0.04 0.00 0.00 61.00 61.66 2awl s PRO 196 Cb -0.19 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2awl s PRO 196 CO 0.12 -0.85 0.84 -0.51 0.04 0.00 0.00 177.00 176.64 2awl s ASP 197 N -4.29 5.56 0.09 6.66 1.01 -1.26 -3.88 116.67 120.56 2awl s ASP 197 Ca 0.57 0.52 -0.32 0.00 0.71 0.00 0.00 52.55 54.02 2awl s ASP 197 Cb -0.11 -1.54 -0.11 0.00 1.01 0.00 0.00 42.92 42.17 2awl s ASP 197 CO 0.52 -1.02 1.81 0.59 0.21 0.00 0.00 175.17 177.28 2awl n ASN 198 N -2.46 3.78 -2.70 0.27 3.02 -1.26 -4.80 115.26 111.11 2awl n ASN 198 Ca 0.04 1.00 -0.09 0.00 -0.03 0.00 0.00 54.58 55.50 2awl n ASN 198 Cb 0.58 -1.49 0.02 0.00 -0.61 0.00 0.00 39.78 38.27 2awl n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2awl n HIS 199 N 5.49 -2.10 -4.09 3.10 1.44 -1.05 -4.74 115.22 113.27 2awl n HIS 199 Ca 0.19 -1.82 -0.07 0.00 -2.01 0.00 0.00 57.72 54.00 2awl n HIS 199 Cb 0.35 0.79 -0.10 0.00 0.12 0.00 0.00 29.99 31.15 2awl n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2awl s TYR 200 N -2.75 0.53 -0.22 -1.40 -0.85 -0.54 -0.52 117.35 111.61 2awl s TYR 200 Ca 0.17 -1.06 -0.05 0.00 -0.52 0.00 0.00 57.07 55.61 2awl s TYR 200 Cb -0.04 -0.39 -0.02 0.00 0.38 0.00 0.00 41.96 41.89 2awl s TYR 200 CO 0.13 -0.37 -0.01 -0.51 -1.52 0.00 0.00 175.55 173.26 2awl s LEU 201 N -2.92 3.08 -0.25 -3.49 1.43 -0.61 -0.74 118.68 115.17 2awl s LEU 201 Ca 0.07 -0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 52.65 2awl s LEU 201 Cb 0.08 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 2awl s LEU 201 CO -0.10 -0.00 0.66 -0.55 0.23 0.00 0.00 176.35 176.60 2awl s SER 202 N 1.38 6.62 0.01 2.29 0.15 0.18 -1.04 113.70 123.29 2awl s SER 202 Ca 0.05 0.76 0.07 0.00 0.70 0.00 0.00 55.95 57.53 2awl s SER 202 Cb -0.14 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 2awl s SER 202 CO -0.01 -0.40 -0.21 0.42 1.20 0.00 0.00 173.24 174.25 2awl s THR 203 N 2.56 2.56 -0.03 6.45 -4.23 -0.13 -1.18 115.64 121.64 2awl s THR 203 Ca 0.28 -1.13 -0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2awl s THR 203 Cb -0.15 -2.02 0.03 0.00 1.34 0.00 0.00 72.50 71.70 2awl s THR 203 CO 0.08 0.43 0.02 -1.10 -0.54 0.00 0.00 174.62 173.52 2awl s GLN 204 N -1.12 0.17 -0.04 3.99 1.11 -0.35 -2.27 119.66 121.16 2awl s GLN 204 Ca 0.13 0.17 0.03 0.00 0.01 0.00 0.00 55.36 55.69 2awl s GLN 204 Cb -0.10 -0.48 0.01 0.00 -1.01 0.00 0.00 33.01 31.42 2awl s GLN 204 CO 0.03 -0.20 -0.11 -1.12 0.01 0.00 0.00 175.29 173.90 2awl s SER 205 N 1.36 1.45 -0.14 5.90 0.01 -1.26 -1.01 113.70 120.01 2awl s SER 205 Ca -0.05 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.00 2awl s SER 205 Cb -0.13 -0.46 0.01 0.00 0.21 0.00 0.00 66.02 65.65 2awl s SER 205 CO -0.03 0.07 -0.22 0.00 0.41 0.00 0.00 173.24 173.47 2awl s ALA 206 N 0.30 2.25 -0.05 1.44 0.00 0.52 -4.37 121.76 121.85 2awl s ALA 206 Ca -0.06 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 2awl s ALA 206 Cb -0.11 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2awl s ALA 206 CO 0.01 -0.07 0.03 -0.51 0.00 0.00 0.00 175.76 175.22 2awl s LEU 207 N 0.88 3.68 0.36 0.00 1.43 -1.26 -1.40 118.68 122.37 2awl s LEU 207 Ca -0.05 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.09 2awl s LEU 207 Cb -0.15 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.11 2awl s LEU 207 CO -0.03 0.33 0.62 -0.94 0.23 0.00 0.00 176.35 176.55 2awl s SER 208 N -1.25 0.54 0.20 2.29 1.04 -0.48 -4.94 113.70 111.10 2awl s SER 208 Ca 0.17 -1.35 0.10 0.00 0.48 0.00 0.00 55.95 55.36 2awl s SER 208 Cb -0.12 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 2awl s SER 208 CO 0.07 -1.48 -0.21 -0.54 0.98 0.00 0.00 173.24 172.06 2awl s LYS 209 N -2.70 1.44 -0.36 4.02 -0.14 -1.26 -1.66 119.74 119.08 2awl s LYS 209 Ca 0.24 -1.52 -0.15 0.00 -1.36 0.00 0.00 55.97 53.18 2awl s LYS 209 Cb -0.03 -1.60 -0.01 0.00 -1.68 0.00 0.00 37.83 34.52 2awl s LYS 209 CO 0.17 0.33 0.36 0.34 -0.76 0.00 0.00 175.35 175.78 2awl s ASP 210 N -2.83 6.17 0.65 2.83 2.15 -1.26 -4.96 116.67 119.42 2awl s ASP 210 Ca 0.20 -0.35 0.34 0.00 0.43 0.00 0.00 52.55 53.17 2awl s ASP 210 Cb -0.06 -2.19 1.83 0.00 -0.30 0.00 0.00 42.92 42.20 2awl s ASP 210 CO 0.09 -0.37 2.06 1.55 -0.17 0.00 0.00 175.17 178.33 2awl h PRO 211 N 8.52 0.00 -0.02 4.34 0.13 -2.04 -1.93 132.00 141.01 2awl h PRO 211 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2awl h PRO 211 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2awl h PRO 211 CO 0.70 0.00 -0.35 0.09 -0.23 0.00 0.00 178.00 178.21 2awl n ASN 212 N -3.11 1.86 -4.66 1.44 3.02 -1.26 -4.92 115.26 107.63 2awl n ASN 212 Ca -0.01 -1.41 -0.38 0.00 -0.03 0.00 0.00 54.58 52.75 2awl n ASN 212 Cb 0.31 0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 39.72 2awl n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2awl s GLU 213 N -2.41 4.13 0.00 3.52 2.56 -0.73 -4.97 118.70 120.81 2awl s GLU 213 Ca 0.22 0.11 0.17 0.00 0.00 0.00 0.00 54.97 55.47 2awl s GLU 213 Cb 0.19 -3.56 -0.18 0.00 2.00 0.00 0.00 34.13 32.58 2awl s GLU 213 CO 0.52 -0.08 0.67 1.63 -0.56 0.00 0.00 175.26 177.44 2awl n LYS 214 N 4.63 0.63 -1.94 4.30 5.02 -1.26 -4.90 118.16 124.64 2awl n LYS 214 Ca -0.09 0.17 -0.32 0.00 -2.02 0.00 0.00 58.31 56.04 2awl n LYS 214 Cb 0.51 -1.74 0.02 0.00 -0.02 0.00 0.00 35.03 33.80 2awl n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2awl s ARG 215 N -2.87 3.28 0.00 1.97 0.52 -1.26 -4.97 118.95 115.62 2awl s ARG 215 Ca -0.05 1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 55.96 2awl s ARG 215 Cb 0.09 -2.03 -0.07 0.00 0.52 0.00 0.00 34.95 33.45 2awl s ARG 215 CO 0.82 -0.84 1.70 0.34 0.02 0.00 0.00 175.30 177.34 2awl s ASP 216 N -3.13 6.62 0.27 0.23 2.15 -1.26 -4.94 116.67 116.61 2awl s ASP 216 Ca 0.61 2.39 -0.06 0.00 0.43 0.00 0.00 52.55 55.92 2awl s ASP 216 Cb -0.15 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.92 2awl s ASP 216 CO 0.42 -0.93 0.40 -1.38 -0.17 0.00 0.00 175.17 173.51 2awl s HIS 217 N 3.58 0.81 -0.13 -5.34 -3.43 -1.26 -0.74 115.29 108.77 2awl s HIS 217 Ca 0.76 -1.08 -0.06 0.00 -0.80 0.00 0.00 55.06 53.88 2awl s HIS 217 Cb -0.37 -0.09 0.06 0.00 -1.43 0.00 0.00 32.58 30.75 2awl s HIS 217 CO 0.32 -0.96 0.30 1.41 -2.00 0.00 0.00 174.74 173.81 2awl s MET 218 N -3.71 0.22 -0.24 -0.38 1.75 -0.38 -4.96 119.30 111.61 2awl s MET 218 Ca 0.29 0.71 -0.09 0.00 -1.25 0.00 0.00 55.69 55.35 2awl s MET 218 Cb 0.01 -0.02 -0.04 0.00 2.84 0.00 0.00 34.83 37.62 2awl s MET 218 CO 0.14 -0.22 0.13 0.08 -0.65 0.00 0.00 175.02 174.50 2awl s VAL 219 N 1.90 5.06 -0.10 10.11 1.01 -0.66 -0.48 120.40 137.23 2awl s VAL 219 Ca -0.04 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2awl s VAL 219 Cb -0.11 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2awl s VAL 219 CO -0.10 0.35 -0.21 -0.22 0.00 0.00 0.00 175.10 174.93 2awl s LEU 220 N 1.11 1.99 -0.20 3.92 2.96 0.14 -1.39 118.68 127.21 2awl s LEU 220 Ca 0.06 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 2awl s LEU 220 Cb -0.14 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.30 2awl s LEU 220 CO 0.04 0.12 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.83 2awl s LEU 221 N 0.46 2.53 0.00 -0.68 2.96 -0.49 -0.88 118.68 122.57 2awl s LEU 221 Ca -0.17 -0.75 0.03 0.00 -0.22 0.00 0.00 54.13 53.03 2awl s LEU 221 Cb -0.17 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2awl s LEU 221 CO 0.07 -0.04 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.25 2awl s GLU 222 N 1.29 0.81 -0.14 1.98 2.12 -0.19 -0.35 118.70 124.22 2awl s GLU 222 Ca 0.03 -0.44 -0.00 0.00 0.36 0.00 0.00 54.97 54.92 2awl s GLU 222 Cb -0.15 -0.78 0.03 0.00 0.26 0.00 0.00 34.13 33.49 2awl s GLU 222 CO -0.10 0.21 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.67 2awl s PHE 223 N -0.39 1.86 -0.12 5.30 0.40 -0.18 -0.59 117.98 124.26 2awl s PHE 223 Ca 0.03 -1.04 0.02 0.00 -0.60 0.00 0.00 56.93 55.34 2awl s PHE 223 Cb -0.05 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 42.07 2awl s PHE 223 CO -0.00 -0.61 -0.18 0.08 0.70 0.00 0.00 175.22 175.21 2awl s VAL 224 N 1.59 1.70 -0.04 -0.44 1.01 -0.19 -1.21 120.40 122.82 2awl s VAL 224 Ca 0.04 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2awl s VAL 224 Cb -0.13 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2awl s VAL 224 CO -0.09 0.48 -0.10 -0.89 0.00 0.00 0.00 175.10 174.50 2awl s THR 225 N 0.87 0.90 0.23 3.92 2.01 -0.33 -0.88 115.64 122.36 2awl s THR 225 Ca -0.08 -0.38 -0.24 0.00 0.31 0.00 0.00 61.69 61.30 2awl s THR 225 Cb -0.15 -0.82 -0.09 0.00 0.01 0.00 0.00 72.50 71.45 2awl s THR 225 CO -0.01 0.29 0.82 0.00 -0.69 0.00 0.00 174.62 175.03 2awl s ALA 226 N 0.45 3.36 0.35 7.40 0.00 0.44 0.48 121.76 134.23 2awl s ALA 226 Ca -0.08 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 2awl s ALA 226 Cb -0.12 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.03 2awl s ALA 226 CO 0.02 0.27 0.64 0.00 0.00 0.00 0.00 175.76 176.68 2awl s ALA 227 N -1.40 -0.15 0.00 0.00 0.00 0.08 -4.57 121.76 115.73 2awl s ALA 227 Ca 0.42 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2awl s ALA 227 Cb -0.20 0.91 0.00 0.00 0.00 0.00 0.00 23.12 23.83 2awl s ALA 227 CO 0.24 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2awl n GLY 228 N -0.53 1.91 0.00 0.00 0.00 -1.26 -1.46 105.19 103.85 2awl n GLY 228 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2awl n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71