#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tye s ASN 2 N 0.00 -0.41 0.22 1.96 6.03 -1.26 -4.82 114.94 116.65 1tye s ASN 2 Ca 0.00 0.03 0.07 0.00 -1.03 0.00 0.00 52.86 51.93 1tye s ASN 2 Cb 0.00 0.50 -0.04 0.00 -3.03 0.00 0.00 41.25 38.69 1tye s ASN 2 CO 0.00 -0.79 0.11 -0.76 -2.03 0.00 0.00 177.10 173.63 1tye s LEU 3 N -2.29 3.62 -0.51 3.54 1.02 -1.26 -4.61 118.68 118.19 1tye s LEU 3 Ca -0.02 -0.31 -0.27 0.00 0.02 0.00 0.00 54.13 53.55 1tye s LEU 3 Cb -0.00 -2.19 0.03 0.00 0.02 0.00 0.00 46.19 44.05 1tye s LEU 3 CO -0.06 0.02 1.06 -0.62 0.02 0.00 0.00 176.35 176.77 1tye s ASP 4 N -3.45 6.50 0.00 2.29 -1.08 0.46 -4.89 116.67 116.49 1tye s ASP 4 Ca 0.31 0.15 0.27 0.00 -0.52 0.00 0.00 52.55 52.76 1tye s ASP 4 Cb -0.08 -2.50 1.45 0.00 -1.46 0.00 0.00 42.92 40.32 1tye s ASP 4 CO 0.23 -1.25 1.95 -0.81 0.52 0.00 0.00 175.17 175.81 1tye n PRO 5 N 7.74 1.20 -0.07 4.34 -0.04 -1.26 -4.02 135.00 142.89 1tye n PRO 5 Ca 0.08 -0.30 -0.15 0.00 -0.04 0.00 0.00 63.50 63.09 1tye n PRO 5 Cb 0.49 -1.44 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 1tye n PRO 5 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1tye n VAL 6 N -0.59 0.77 -2.81 0.52 0.31 -1.26 -4.82 118.33 110.45 1tye n VAL 6 Ca 0.20 -0.20 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1tye n VAL 6 Cb 0.17 -1.68 -0.01 0.00 -0.91 0.00 0.00 33.84 31.41 1tye n VAL 6 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1tye s GLN 7 N -2.26 3.89 0.10 5.55 -1.52 -1.26 -4.97 119.66 119.20 1tye s GLN 7 Ca -0.20 -2.07 0.10 0.00 -1.95 0.00 0.00 55.36 51.25 1tye s GLN 7 Cb 0.08 -5.18 -0.04 0.00 -0.22 0.00 0.00 33.01 27.65 1tye s GLN 7 CO 0.25 -1.94 -0.26 -0.48 -0.25 0.00 0.00 175.29 172.61 1tye s LEU 8 N 2.89 2.28 -0.15 2.90 2.34 -1.26 -4.54 118.68 123.13 1tye s LEU 8 Ca 0.43 -0.70 -0.07 0.00 0.06 0.00 0.00 54.13 53.86 1tye s LEU 8 Cb -0.01 -1.19 -0.04 0.00 -0.56 0.00 0.00 46.19 44.38 1tye s LEU 8 CO -0.02 0.19 0.09 -0.89 -1.06 0.00 0.00 176.35 174.66 1tye s THR 9 N -1.00 5.05 -0.19 5.48 2.01 -1.04 -4.95 115.64 121.00 1tye s THR 9 Ca 0.12 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 1tye s THR 9 Cb -0.10 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1tye s THR 9 CO 0.05 0.53 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.13 1tye s PHE 10 N -0.29 3.03 -0.04 4.92 0.08 -1.26 -1.08 117.98 123.33 1tye s PHE 10 Ca 0.09 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.72 1tye s PHE 10 Cb -0.12 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 1tye s PHE 10 CO 0.01 -0.21 -0.09 0.71 -0.10 0.00 0.00 175.22 175.54 1tye s TYR 11 N 0.86 2.85 0.02 0.36 2.02 -0.15 -1.29 117.35 122.02 1tye s TYR 11 Ca 0.00 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 1tye s TYR 11 Cb -0.14 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 39.75 1tye s TYR 11 CO 0.02 0.31 -0.03 0.00 -1.57 0.00 0.00 175.55 174.27 1tye s ALA 12 N -0.85 0.18 0.47 3.71 0.00 -0.95 -0.69 121.76 123.63 1tye s ALA 12 Ca 0.14 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.68 1tye s ALA 12 Cb -0.11 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1tye s ALA 12 CO 0.03 -0.08 0.04 0.20 0.00 0.00 0.00 175.76 175.95 1tye s GLY 13 N -1.05 2.76 0.72 0.00 0.00 -0.85 -4.27 107.32 104.63 1tye s GLY 13 Ca -0.10 -1.21 -0.16 0.00 0.00 0.00 0.00 44.72 43.24 1tye s GLY 13 CO -0.01 -2.13 0.59 -1.55 0.00 0.00 0.00 173.10 170.01 1tye n PRO 14 N -1.20 0.33 -2.10 2.90 -0.04 -1.26 -4.87 135.00 128.76 1tye n PRO 14 Ca -0.12 0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 1tye n PRO 14 Cb 0.67 -1.88 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 1tye n PRO 14 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1tye s ASN 15 N -1.49 6.75 0.00 3.54 3.84 -1.26 -2.60 114.94 123.72 1tye s ASN 15 Ca 0.67 2.29 0.00 0.00 0.21 0.00 0.00 52.86 56.03 1tye s ASN 15 Cb -0.35 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.78 1tye s ASN 15 CO 0.57 -0.77 0.00 0.61 -2.79 0.00 0.00 177.10 174.72 1tye n GLY 16 N 3.75 1.11 0.05 1.21 0.00 -1.26 -4.93 105.19 105.13 1tye n GLY 16 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1tye n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tye n SER 17 N 0.00 0.37 -1.88 1.61 3.41 -1.07 -4.63 113.62 111.43 1tye n SER 17 Ca 0.00 0.55 -0.18 0.00 -0.26 0.00 0.00 58.87 58.98 1tye n SER 17 Cb 0.00 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.28 1tye n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tye n GLN 18 N -1.86 -1.40 -1.68 4.33 6.02 -1.26 -1.58 117.38 119.95 1tye n GLN 18 Ca 0.05 0.96 -0.52 0.00 -0.01 0.00 0.00 57.00 57.48 1tye n GLN 18 Cb 0.32 -5.40 -0.06 0.00 1.02 0.00 0.00 30.24 26.13 1tye n GLN 18 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1tye n PHE 19 N -3.56 2.10 0.00 1.08 -0.00 -1.26 -1.59 117.46 114.22 1tye n PHE 19 Ca -0.21 0.33 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 1tye n PHE 19 Cb 0.64 -2.52 0.00 0.00 -0.00 0.00 0.00 39.48 37.60 1tye n PHE 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1tye n GLY 20 N 3.94 0.78 0.29 7.13 0.00 -0.16 -2.92 105.19 114.26 1tye n GLY 20 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.34 1tye n GLY 20 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tye h PHE 21 N 0.00 0.15 -3.73 1.61 3.04 -1.14 -3.36 116.94 113.52 1tye h PHE 21 Ca 0.00 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.87 1tye h PHE 21 Cb 0.00 -0.05 -0.14 0.00 2.56 0.00 0.00 35.95 38.32 1tye h PHE 21 CO 0.00 0.09 -0.34 -1.54 -2.02 0.00 0.00 178.31 174.50 1tye s SER 22 N -6.82 0.07 0.09 0.41 1.04 -1.26 -4.53 113.70 102.71 1tye s SER 22 Ca -0.06 -0.58 -0.26 0.00 0.48 0.00 0.00 55.95 55.53 1tye s SER 22 Cb 0.18 0.35 0.08 0.00 0.10 0.00 0.00 66.02 66.72 1tye s SER 22 CO 0.70 -0.72 0.88 -1.48 0.98 0.00 0.00 173.24 173.60 1tye s LEU 23 N -2.75 -0.31 0.03 2.42 0.05 -1.26 -0.93 118.68 115.93 1tye s LEU 23 Ca 0.03 -0.19 -0.28 0.00 0.05 0.00 0.00 54.13 53.75 1tye s LEU 23 Cb 0.04 2.17 0.10 0.00 -2.05 0.00 0.00 46.19 46.44 1tye s LEU 23 CO -0.10 -0.80 0.89 -0.62 -0.55 0.00 0.00 176.35 175.17 1tye s ASP 24 N -2.71 -0.34 0.01 1.48 2.15 -0.72 -4.89 116.67 111.64 1tye s ASP 24 Ca 0.08 -0.06 -0.23 0.00 0.43 0.00 0.00 52.55 52.76 1tye s ASP 24 Cb -0.01 0.41 -0.05 0.00 -0.30 0.00 0.00 42.92 42.96 1tye s ASP 24 CO -0.04 -0.68 0.69 -0.36 -0.17 0.00 0.00 175.17 174.61 1tye s PHE 25 N -3.17 3.69 -0.09 -5.34 0.08 -1.26 -0.81 117.98 111.09 1tye s PHE 25 Ca 0.06 1.33 0.02 0.00 0.12 0.00 0.00 56.93 58.46 1tye s PHE 25 Cb -0.01 -2.73 -0.02 0.00 -0.57 0.00 0.00 43.02 39.69 1tye s PHE 25 CO -0.07 0.28 -0.14 -1.58 -0.10 0.00 0.00 175.22 173.60 1tye s HIS 26 N 0.02 2.74 -0.32 0.36 5.65 -0.13 -4.57 115.29 119.03 1tye s HIS 26 Ca 0.35 -0.41 0.02 0.00 0.25 0.00 0.00 55.06 55.27 1tye s HIS 26 Cb -0.19 -1.73 0.10 0.00 -1.18 0.00 0.00 32.58 29.58 1tye s HIS 26 CO 0.20 -0.02 0.06 0.21 -0.65 0.00 0.00 174.74 174.54 1tye s LYS 27 N -0.20 1.20 1.23 2.88 2.20 -1.26 -0.72 119.74 125.07 1tye s LYS 27 Ca 0.00 -1.53 -0.21 0.00 -0.36 0.00 0.00 55.97 53.87 1tye s LYS 27 Cb -0.13 -2.72 0.31 0.00 -1.51 0.00 0.00 37.83 33.79 1tye s LYS 27 CO 0.03 -0.94 0.86 -0.40 -0.36 0.00 0.00 175.35 174.54 1tye n ASP 28 N 4.50 -3.14 -0.15 1.43 5.68 -0.99 -4.26 116.55 119.61 1tye n ASP 28 Ca 0.01 -0.92 -0.05 0.00 -0.50 0.00 0.00 54.79 53.33 1tye n ASP 28 Cb 0.42 -0.89 0.04 0.00 -1.14 0.00 0.00 41.12 39.54 1tye n ASP 28 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1tye h SER 29 N -3.10 0.38 0.00 -1.12 4.64 -1.90 -1.92 113.55 110.53 1tye h SER 29 Ca -0.36 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1tye h SER 29 Cb 1.16 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1tye h SER 29 CO 0.22 0.27 0.00 1.41 -0.87 0.00 0.00 176.83 177.86 1tye n HIS 30 N -4.87 0.00 -0.37 4.77 8.25 -1.26 -4.81 115.22 116.93 1tye n HIS 30 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1tye n HIS 30 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1tye n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tye n GLY 31 N -0.61 1.95 3.77 -1.41 0.00 -0.72 -5.02 105.19 103.14 1tye n GLY 31 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1tye n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tye s ARG 32 N -0.11 4.22 -0.11 1.61 3.52 -1.26 -4.79 118.95 122.03 1tye s ARG 32 Ca 0.00 1.82 -0.06 0.00 -0.13 0.00 0.00 55.73 57.36 1tye s ARG 32 Cb 0.00 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 1tye s ARG 32 CO 0.00 -0.17 0.14 0.08 -0.81 0.00 0.00 175.30 174.54 1tye s VAL 33 N -1.37 5.46 0.29 7.11 1.01 -1.26 -2.34 120.40 129.30 1tye s VAL 33 Ca 0.54 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.73 1tye s VAL 33 Cb -0.31 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1tye s VAL 33 CO 0.39 0.59 0.23 0.00 0.00 0.00 0.00 175.10 176.32 1tye s ALA 34 N -1.05 1.68 -0.18 5.51 0.00 0.10 -3.83 121.76 123.99 1tye s ALA 34 Ca 0.16 -1.96 0.01 0.00 0.00 0.00 0.00 51.96 50.17 1tye s ALA 34 Cb -0.12 1.44 0.03 0.00 0.00 0.00 0.00 23.12 24.47 1tye s ALA 34 CO 0.05 -0.64 -0.17 0.42 0.00 0.00 0.00 175.76 175.43 1tye s ILE 35 N -3.65 1.87 -0.11 0.00 1.01 0.19 -0.95 121.20 119.56 1tye s ILE 35 Ca 0.40 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 1tye s ILE 35 Cb 0.04 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1tye s ILE 35 CO 0.23 0.44 0.76 -0.69 0.00 0.00 0.00 174.94 175.68 1tye s VAL 36 N 1.35 4.98 -0.09 2.92 1.01 0.01 -0.77 120.40 129.80 1tye s VAL 36 Ca 0.03 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.56 1tye s VAL 36 Cb -0.14 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1tye s VAL 36 CO -0.11 0.15 -0.16 -0.69 0.00 0.00 0.00 175.10 174.29 1tye s VAL 37 N 1.39 1.51 0.13 2.92 1.01 0.01 -1.76 120.40 125.61 1tye s VAL 37 Ca 0.38 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 1tye s VAL 37 Cb -0.17 -1.36 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 1tye s VAL 37 CO 0.16 0.44 0.64 -0.83 0.00 0.00 0.00 175.10 175.51 1tye s GLY 38 N 0.70 2.68 -0.41 4.51 0.00 -0.11 -0.81 107.32 113.88 1tye s GLY 38 Ca -0.13 0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.75 1tye s GLY 38 CO 0.03 0.50 0.46 0.00 0.00 0.00 0.00 173.10 174.09 1tye n ALA 39 N 1.37 2.64 0.24 3.20 0.00 0.79 -0.99 120.51 127.76 1tye n ALA 39 Ca -0.07 -3.33 0.08 0.00 0.00 0.00 0.00 53.44 50.12 1tye n ALA 39 Cb 0.51 -0.79 0.45 0.00 0.00 0.00 0.00 19.45 19.62 1tye n ALA 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1tye h PRO 40 N 4.62 0.00 -0.19 0.00 0.13 -1.52 -0.94 132.00 134.10 1tye h PRO 40 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1tye h PRO 40 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1tye h PRO 40 CO 0.44 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.75 1tye n ARG 41 N -2.35 2.38 -1.66 0.86 5.12 -0.62 -3.53 116.66 116.86 1tye n ARG 41 Ca -0.01 -1.70 -0.45 0.00 -1.93 0.00 0.00 57.85 53.76 1tye n ARG 41 Cb 0.43 -1.17 -0.02 0.00 -1.16 0.00 0.00 32.46 30.54 1tye n ARG 41 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1tye n THR 42 N 0.23 1.25 -2.48 0.55 -1.04 -0.57 -4.54 114.28 107.67 1tye n THR 42 Ca 0.07 -0.31 -0.39 0.00 -2.04 0.00 0.00 64.05 61.38 1tye n THR 42 Cb 0.33 -1.41 -0.04 0.00 -1.82 0.00 0.00 70.33 67.39 1tye n THR 42 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1tye s LEU 43 N -0.07 4.46 0.58 -4.42 1.02 -1.26 -1.16 118.68 117.83 1tye s LEU 43 Ca 0.65 2.23 -0.07 0.00 0.02 0.00 0.00 54.13 56.96 1tye s LEU 43 Cb -0.65 -3.75 -0.02 0.00 0.02 0.00 0.00 46.19 41.79 1tye s LEU 43 CO 0.53 -0.23 0.92 -0.83 0.02 0.00 0.00 176.35 176.76 1tye s GLY 44 N -1.02 1.58 0.58 -3.19 0.00 0.66 -4.86 107.32 101.07 1tye s GLY 44 Ca 0.47 -0.46 0.28 0.00 0.00 0.00 0.00 44.72 45.01 1tye s GLY 44 CO 0.38 -0.21 2.00 -2.55 0.00 0.00 0.00 173.10 172.72 1tye h PRO 45 N -0.14 0.00 -0.82 2.90 0.11 -1.95 0.39 132.00 132.49 1tye h PRO 45 Ca -0.46 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 1tye h PRO 45 Cb 1.23 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.24 1tye h PRO 45 CO 0.62 0.00 0.21 0.43 -0.21 0.00 0.00 178.00 179.04 1tye n SER 46 N -3.90 4.16 -2.04 -2.05 7.64 -1.26 -4.91 113.62 111.26 1tye n SER 46 Ca 0.06 -2.91 -0.20 0.00 1.01 0.00 0.00 58.87 56.83 1tye n SER 46 Cb 0.51 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 1tye n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tye n GLN 47 N -0.03 -1.51 -4.81 1.43 3.00 0.13 -5.01 117.38 110.57 1tye n GLN 47 Ca 0.31 1.02 -0.33 0.00 -0.01 0.00 0.00 57.00 57.99 1tye n GLN 47 Cb 1.14 -5.54 -0.13 0.00 0.00 0.00 0.00 30.24 25.71 1tye n GLN 47 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1tye s GLU 48 N -4.61 2.87 -0.10 -1.09 2.12 -1.25 -4.83 118.70 111.81 1tye s GLU 48 Ca 0.00 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.37 1tye s GLU 48 Cb 0.00 -2.51 -0.05 0.00 0.26 0.00 0.00 34.13 31.84 1tye s GLU 48 CO 0.00 0.48 1.64 -1.21 -0.54 0.00 0.00 175.26 175.63 1tye s GLU 49 N -0.34 4.06 0.00 4.30 2.02 -1.26 -0.25 118.70 127.24 1tye s GLU 49 Ca 0.03 2.04 0.00 0.00 0.02 0.00 0.00 54.97 57.06 1tye s GLU 49 Cb -0.13 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 30.10 1tye s GLU 49 CO 0.02 -0.98 0.00 0.25 0.02 0.00 0.00 175.26 174.57 1tye n THR 50 N 5.76 0.00 0.00 3.63 -2.24 -0.97 0.65 114.28 121.10 1tye n THR 50 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1tye n THR 50 Cb 0.43 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1tye n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tye n GLY 51 N 1.91 -3.39 3.59 3.38 0.00 -0.31 -1.27 105.19 109.11 1tye n GLY 51 Ca 0.00 -2.12 0.01 0.00 0.00 0.00 0.00 46.02 43.91 1tye n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tye s GLY 52 N 0.00 -0.37 0.08 -0.02 0.00 -0.46 -4.47 107.32 102.08 1tye s GLY 52 Ca 0.00 1.35 0.06 0.00 0.00 0.00 0.00 44.72 46.13 1tye s GLY 52 CO 0.00 0.37 -0.17 0.14 0.00 0.00 0.00 173.10 173.44 1tye s VAL 53 N -2.05 1.37 0.02 1.40 1.01 -1.26 -0.15 120.40 120.74 1tye s VAL 53 Ca 0.14 -1.40 0.05 0.00 0.00 0.00 0.00 61.98 60.77 1tye s VAL 53 Cb 0.04 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1tye s VAL 53 CO -0.05 -0.15 -0.15 -0.36 0.00 0.00 0.00 175.10 174.40 1tye s PHE 54 N -1.21 1.33 -0.33 5.22 0.40 0.01 -1.70 117.98 121.70 1tye s PHE 54 Ca 0.02 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1tye s PHE 54 Cb -0.10 -0.81 0.08 0.00 0.51 0.00 0.00 43.02 42.70 1tye s PHE 54 CO 0.03 0.02 0.04 -1.17 0.70 0.00 0.00 175.22 174.84 1tye s LEU 55 N -0.88 4.32 -0.25 -0.37 2.96 -0.82 -0.81 118.68 122.83 1tye s LEU 55 Ca 0.04 -1.68 -0.13 0.00 -0.22 0.00 0.00 54.13 52.14 1tye s LEU 55 Cb -0.07 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1tye s LEU 55 CO 0.01 -0.34 0.26 0.00 -1.32 0.00 0.00 176.35 174.96 1tye s PRO 57 N 1.56 4.19 0.19 0.00 0.04 -1.26 0.55 135.00 140.27 1tye s PRO 57 Ca 0.11 0.96 -0.31 0.00 0.04 0.00 0.00 61.00 61.81 1tye s PRO 57 Cb -0.15 -2.38 -0.10 0.00 0.04 0.00 0.00 34.50 31.90 1tye s PRO 57 CO 0.08 0.10 1.55 -0.46 0.04 0.00 0.00 177.00 178.31 1tye s TRP 58 N -2.00 3.03 -0.30 0.56 -0.00 -1.25 -4.89 118.94 114.09 1tye s TRP 58 Ca 0.57 0.70 -0.15 0.00 -0.00 0.00 0.00 56.10 57.22 1tye s TRP 58 Cb -0.11 -3.93 0.16 0.00 -0.00 0.00 0.00 33.47 29.59 1tye s TRP 58 CO 0.16 -3.33 0.94 -0.98 -0.00 0.00 0.00 176.95 173.74 1tye s ARG 59 N 0.76 0.34 0.59 5.86 1.70 -1.26 -5.05 118.95 121.89 1tye s ARG 59 Ca 0.68 0.81 0.29 0.00 -0.47 0.00 0.00 55.73 57.04 1tye s ARG 59 Cb -0.44 0.43 1.53 0.00 -0.57 0.00 0.00 34.95 35.91 1tye s ARG 59 CO 0.35 -0.11 1.96 0.00 -1.08 0.00 0.00 175.30 176.42 1tye h ALA 60 N 7.34 2.05 0.00 7.88 0.00 -2.01 -1.21 119.26 133.31 1tye h ALA 60 Ca -0.18 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1tye h ALA 60 Cb 1.13 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1tye h ALA 60 CO 0.10 -0.57 -0.81 1.05 0.00 0.00 0.00 179.25 179.02 1tye h GLU 61 N 0.00 0.00 0.00 0.00 9.09 -1.96 -3.43 114.58 118.28 1tye h GLU 61 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 1tye h GLU 61 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 1tye h GLU 61 CO -0.00 0.81 0.00 0.41 0.05 0.00 0.00 179.01 180.27 1tye n GLY 62 N 1.08 0.67 0.00 1.06 0.00 -0.46 -4.59 105.19 102.94 1tye n GLY 62 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1tye n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tye n GLY 63 N 0.00 0.18 3.73 -0.02 0.00 -0.41 -4.99 105.19 103.69 1tye n GLY 63 Ca 0.00 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 1tye n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tye s GLN 64 N 0.00 2.35 0.10 1.61 1.11 -1.26 -2.23 119.66 121.35 1tye s GLN 64 Ca 0.00 1.73 0.06 0.00 0.01 0.00 0.00 55.36 57.16 1tye s GLN 64 Cb 0.00 -1.86 -0.03 0.00 -1.01 0.00 0.00 33.01 30.10 1tye s GLN 64 CO 0.00 -1.67 -0.16 0.00 0.01 0.00 0.00 175.29 173.48 1tye s PRO 66 N -2.20 4.14 0.01 0.00 0.02 -1.25 -4.89 135.00 130.84 1tye s PRO 66 Ca 0.05 1.68 -0.30 0.00 0.02 0.00 0.00 61.00 62.45 1tye s PRO 66 Cb -0.08 -2.65 -0.03 0.00 0.02 0.00 0.00 34.50 31.76 1tye s PRO 66 CO 0.03 -0.20 0.97 0.45 -0.33 0.00 0.00 177.00 177.92 1tye s SER 67 N -1.32 7.38 -0.64 2.53 0.15 -1.26 -1.94 113.70 118.59 1tye s SER 67 Ca 0.57 1.67 -0.20 0.00 0.70 0.00 0.00 55.95 58.68 1tye s SER 67 Cb -0.27 -2.57 0.10 0.00 -1.71 0.00 0.00 66.02 61.57 1tye s SER 67 CO 0.33 -0.24 0.80 -0.22 1.20 0.00 0.00 173.24 175.12 1tye s LEU 68 N 0.91 5.15 0.31 3.45 2.96 -0.69 -4.88 118.68 125.89 1tye s LEU 68 Ca 0.51 -1.40 -0.29 0.00 -0.22 0.00 0.00 54.13 52.72 1tye s LEU 68 Cb -0.21 -2.34 -0.12 0.00 0.50 0.00 0.00 46.19 44.02 1tye s LEU 68 CO 0.28 -1.18 1.46 0.18 -1.32 0.00 0.00 176.35 175.77 1tye n LEU 69 N 6.63 4.01 -4.00 -0.68 4.77 -1.26 -4.43 117.00 122.04 1tye n LEU 69 Ca -0.05 1.18 -0.09 0.00 -0.03 0.00 0.00 56.01 57.02 1tye n LEU 69 Cb 0.44 -1.54 -0.08 0.00 -2.33 0.00 0.00 43.42 39.90 1tye n LEU 69 CO 0.59 -0.12 -0.18 -0.36 -1.33 0.00 0.00 177.39 175.98 1tye s PHE 70 N -0.50 0.44 -0.34 -1.77 0.08 -1.26 -5.11 117.98 109.53 1tye s PHE 70 Ca 0.61 -0.87 -0.29 0.00 0.12 0.00 0.00 56.93 56.49 1tye s PHE 70 Cb -0.54 -0.22 0.01 0.00 -0.57 0.00 0.00 43.02 41.70 1tye s PHE 70 CO 0.55 -0.54 1.25 0.34 -0.10 0.00 0.00 175.22 176.71 1tye s ASP 71 N -2.94 6.69 -0.19 1.36 -1.08 -1.26 -4.89 116.67 114.36 1tye s ASP 71 Ca 0.12 1.04 0.16 0.00 -0.52 0.00 0.00 52.55 53.35 1tye s ASP 71 Cb 0.06 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.70 1tye s ASP 71 CO -0.05 -1.10 1.64 0.18 0.52 0.00 0.00 175.17 176.36 1tye n LEU 72 N 7.62 5.06 -4.65 -1.34 7.99 -1.26 -4.97 117.00 125.44 1tye n LEU 72 Ca 0.14 -2.80 -0.33 0.00 -0.01 0.00 0.00 56.01 53.01 1tye n LEU 72 Cb 0.47 -0.62 -0.10 0.00 -0.11 0.00 0.00 43.42 43.07 1tye n LEU 72 CO 0.64 0.69 -0.34 -0.13 -1.51 0.00 0.00 177.39 176.74 1tye s ARG 73 N -2.49 2.78 0.29 3.23 0.52 -1.26 -4.92 118.95 117.09 1tye s ARG 73 Ca 0.50 -0.58 -0.29 0.00 -0.52 0.00 0.00 55.73 54.84 1tye s ARG 73 Cb 0.37 -2.66 -0.10 0.00 0.52 0.00 0.00 34.95 33.09 1tye s ARG 73 CO 0.17 0.64 1.38 -0.51 0.02 0.00 0.00 175.30 177.00 1tye s ASP 74 N -1.28 6.69 0.04 0.23 1.11 -1.26 -4.91 116.67 117.30 1tye s ASP 74 Ca 0.17 2.68 0.04 0.00 0.18 0.00 0.00 52.55 55.62 1tye s ASP 74 Cb -0.11 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.20 1tye s ASP 74 CO 0.07 -0.64 -0.04 -1.61 1.18 0.00 0.00 175.17 174.13 1tye s GLU 75 N -1.01 2.51 -0.11 8.23 2.02 -1.21 -4.98 118.70 124.15 1tye s GLU 75 Ca 0.55 -0.79 -0.05 0.00 0.02 0.00 0.00 54.97 54.70 1tye s GLU 75 Cb -0.41 -2.50 0.05 0.00 0.10 0.00 0.00 34.13 31.37 1tye s GLU 75 CO 0.48 0.57 0.24 0.99 0.02 0.00 0.00 175.26 177.56 1tye s THR 76 N -1.13 -0.18 -0.01 3.63 2.01 -1.26 -1.48 115.64 117.22 1tye s THR 76 Ca 0.20 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1tye s THR 76 Cb -0.11 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.03 1tye s THR 76 CO 0.12 0.09 0.01 -0.13 -0.69 0.00 0.00 174.62 174.02 1tye s ARG 77 N 1.71 0.04 -0.14 4.92 1.81 -0.37 -4.99 118.95 121.92 1tye s ARG 77 Ca -0.05 0.10 -0.20 0.00 -1.72 0.00 0.00 55.73 53.86 1tye s ARG 77 Cb -0.11 -0.21 -0.03 0.00 -0.45 0.00 0.00 34.95 34.14 1tye s ARG 77 CO -0.08 -0.10 0.58 -0.80 -0.68 0.00 0.00 175.30 174.22 1tye s ASN 78 N 0.70 6.74 -0.40 0.23 0.01 -1.26 -0.97 114.94 119.99 1tye s ASN 78 Ca -0.06 0.89 0.01 0.00 -0.71 0.00 0.00 52.86 52.99 1tye s ASN 78 Cb -0.09 -2.34 0.14 0.00 0.41 0.00 0.00 41.25 39.37 1tye s ASN 78 CO -0.02 -0.13 0.23 -0.69 -1.51 0.00 0.00 177.10 174.98 1tye s VAL 79 N 1.17 0.82 0.00 1.60 1.01 -0.49 -4.99 120.40 119.52 1tye s VAL 79 Ca 0.29 -2.16 0.00 0.00 0.00 0.00 0.00 61.98 60.11 1tye s VAL 79 Cb -0.16 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1tye s VAL 79 CO 0.12 -0.94 0.00 0.61 0.00 0.00 0.00 175.10 174.89 1tye n GLY 80 N 3.77 1.73 0.01 4.51 0.00 -1.26 -3.05 105.19 110.90 1tye n GLY 80 Ca 0.10 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.69 1tye n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tye n SER 81 N 7.28 0.60 -4.90 1.61 7.64 -1.26 -4.98 113.62 119.62 1tye n SER 81 Ca 0.00 -0.48 -0.31 0.00 1.01 0.00 0.00 58.87 59.10 1tye n SER 81 Cb 0.00 1.19 -0.04 0.00 -1.01 0.00 0.00 64.21 64.34 1tye n SER 81 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1tye s GLN 82 N -3.20 3.63 -0.30 1.43 -0.21 -1.17 -4.54 119.66 115.30 1tye s GLN 82 Ca 0.02 -0.06 0.03 0.00 0.02 0.00 0.00 55.36 55.37 1tye s GLN 82 Cb 0.15 -2.80 0.07 0.00 1.00 0.00 0.00 33.01 31.43 1tye s GLN 82 CO 0.86 0.42 -0.04 0.99 -2.12 0.00 0.00 175.29 175.40 1tye s THR 83 N -1.74 2.32 0.01 -0.19 2.01 0.11 -1.39 115.64 116.77 1tye s THR 83 Ca 0.42 -1.86 -0.24 0.00 0.31 0.00 0.00 61.69 60.32 1tye s THR 83 Cb -0.12 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 1tye s THR 83 CO 0.25 -0.25 0.73 -0.76 -0.69 0.00 0.00 174.62 173.90 1tye s LEU 84 N 1.05 4.41 -0.06 4.42 1.02 -0.14 -1.37 118.68 128.00 1tye s LEU 84 Ca -0.02 1.34 -0.06 0.00 0.02 0.00 0.00 54.13 55.42 1tye s LEU 84 Cb -0.20 -3.15 0.02 0.00 0.02 0.00 0.00 46.19 42.88 1tye s LEU 84 CO -0.06 -0.01 0.17 0.00 0.02 0.00 0.00 176.35 176.47 1tye s GLN 85 N 0.18 0.19 0.06 1.70 -2.07 -0.58 -1.23 119.66 117.90 1tye s GLN 85 Ca 0.37 0.24 0.08 0.00 -1.82 0.00 0.00 55.36 54.24 1tye s GLN 85 Cb -0.19 0.08 -0.03 0.00 -1.09 0.00 0.00 33.01 31.77 1tye s GLN 85 CO 0.21 -0.03 -0.20 0.95 -1.32 0.00 0.00 175.29 174.90 1tye s THR 86 N 0.17 2.67 -0.13 3.63 -4.23 -0.55 -1.44 115.64 115.77 1tye s THR 86 Ca -0.01 -1.29 -0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1tye s THR 86 Cb -0.02 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.72 1tye s THR 86 CO -0.00 0.30 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.93 1tye s PHE 87 N -0.94 1.66 -2.46 3.99 0.40 0.12 -3.30 117.98 117.45 1tye s PHE 87 Ca 0.15 -0.88 0.23 0.00 -0.60 0.00 0.00 56.93 55.83 1tye s PHE 87 Cb -0.10 -1.32 0.46 0.00 0.51 0.00 0.00 43.02 42.57 1tye s PHE 87 CO 0.05 -0.56 1.42 1.63 0.70 0.00 0.00 175.22 178.47 1tye n LYS 88 N 4.90 2.43 -2.04 0.44 5.02 -1.26 -1.37 118.16 126.28 1tye n LYS 88 Ca -0.13 -2.17 -0.42 0.00 -2.02 0.00 0.00 58.31 53.57 1tye n LYS 88 Cb 0.50 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1tye n LYS 88 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tye s ALA 89 N -1.52 3.64 -1.96 7.82 0.00 -1.26 -2.65 121.76 125.82 1tye s ALA 89 Ca 0.38 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1tye s ALA 89 Cb 0.22 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1tye s ALA 89 CO 0.31 -1.10 0.00 0.54 0.00 0.00 0.00 175.76 175.51 1tye n ARG 90 N 5.85 -1.46 0.29 0.00 5.12 0.21 -4.85 116.66 121.82 1tye n ARG 90 Ca 0.15 1.12 0.17 0.00 -1.93 0.00 0.00 57.85 57.36 1tye n ARG 90 Cb 0.42 -5.55 0.87 0.00 -1.16 0.00 0.00 32.46 27.03 1tye n ARG 90 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 1tye h GLN 91 N 0.00 0.00 -3.55 5.56 3.07 -1.67 -3.44 115.11 115.09 1tye h GLN 91 Ca -0.43 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.16 1tye h GLN 91 Cb 1.32 0.00 0.07 0.00 0.08 0.00 0.00 27.48 28.95 1tye h GLN 91 CO 0.58 0.05 -0.34 0.41 0.09 0.00 0.00 178.83 179.62 1tye n GLY 92 N -0.57 0.12 3.71 0.06 0.00 -1.23 -1.22 105.19 106.06 1tye n GLY 92 Ca -0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1tye n GLY 92 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tye s LEU 93 N -3.93 4.37 0.00 0.99 2.96 -0.40 -1.43 118.68 121.24 1tye s LEU 93 Ca 0.05 2.61 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 1tye s LEU 93 Cb -0.02 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.08 1tye s LEU 93 CO 0.33 -0.85 0.00 0.61 -1.32 0.00 0.00 176.35 175.12 1tye n GLY 94 N 3.82 0.77 0.00 7.98 0.00 0.22 -1.36 105.19 116.62 1tye n GLY 94 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1tye n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tye n ALA 95 N -1.16 1.87 -3.64 4.61 0.00 -0.52 -3.95 120.51 117.73 1tye n ALA 95 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1tye n ALA 95 Cb 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.15 1tye n ALA 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1tye s SER 96 N -2.43 -0.77 -0.02 0.00 0.15 -1.26 -4.78 113.70 104.60 1tye s SER 96 Ca 0.16 1.37 -0.09 0.00 0.70 0.00 0.00 55.95 58.08 1tye s SER 96 Cb 0.10 1.36 0.01 0.00 -1.71 0.00 0.00 66.02 65.78 1tye s SER 96 CO 0.20 -0.23 0.21 0.68 1.20 0.00 0.00 173.24 175.30 1tye s VAL 97 N 0.83 0.06 -0.19 4.45 -7.23 -1.26 -1.50 120.40 115.56 1tye s VAL 97 Ca -0.03 -0.47 -0.23 0.00 -1.81 0.00 0.00 61.98 59.44 1tye s VAL 97 Cb -0.05 -0.46 0.06 0.00 0.56 0.00 0.00 36.38 36.50 1tye s VAL 97 CO -0.08 -0.26 0.62 0.54 -0.31 0.00 0.00 175.10 175.62 1tye s VAL 98 N -1.01 0.00 -0.10 1.32 0.11 -0.38 -4.68 120.40 115.66 1tye s VAL 98 Ca -0.11 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 58.95 1tye s VAL 98 Cb -0.06 -0.88 -0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1tye s VAL 98 CO 0.02 -0.01 -0.22 -0.55 -3.33 0.00 0.00 175.10 171.00 1tye s SER 99 N -0.02 3.23 -0.03 3.54 0.15 -1.26 0.22 113.70 119.52 1tye s SER 99 Ca -0.03 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.14 1tye s SER 99 Cb -0.04 -1.40 -0.00 0.00 -1.71 0.00 0.00 66.02 62.87 1tye s SER 99 CO 0.03 0.17 -0.12 0.86 1.20 0.00 0.00 173.24 175.37 1tye s TRP 100 N 0.30 1.22 0.00 3.44 -0.00 -0.01 -4.98 118.94 118.92 1tye s TRP 100 Ca -0.17 -0.30 0.00 0.00 -0.00 0.00 0.00 56.10 55.63 1tye s TRP 100 Cb -0.17 -0.83 0.00 0.00 -0.00 0.00 0.00 33.47 32.47 1tye s TRP 100 CO 0.08 -0.09 0.11 -1.13 -0.00 0.00 0.00 176.95 175.92 1tye n SER 101 N 3.09 0.00 0.00 5.86 3.41 -1.26 -0.24 113.62 124.48 1tye n SER 101 Ca -0.17 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1tye n SER 101 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1tye n SER 101 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1tye n ASP 102 N -0.26 0.00 -4.58 4.04 2.03 -1.26 -4.52 116.55 112.00 1tye n ASP 102 Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 1tye n ASP 102 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1tye n ASP 102 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1tye s VAL 103 N -0.21 3.10 -0.18 5.18 -7.23 0.67 -4.50 120.40 117.23 1tye s VAL 103 Ca 0.00 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1tye s VAL 103 Cb 0.00 -2.63 0.03 0.00 0.56 0.00 0.00 36.38 34.34 1tye s VAL 103 CO 0.00 -0.34 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.67 1tye s ILE 104 N -2.28 1.80 -0.27 -0.62 1.01 0.06 -0.83 121.20 120.07 1tye s ILE 104 Ca 0.30 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 1tye s ILE 104 Cb -0.06 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1tye s ILE 104 CO 0.18 0.40 0.14 -0.69 0.00 0.00 0.00 174.94 174.97 1tye s VAL 105 N 1.38 4.89 -0.10 2.92 1.01 0.13 -1.54 120.40 129.10 1tye s VAL 105 Ca 0.03 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1tye s VAL 105 Cb -0.14 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.92 1tye s VAL 105 CO -0.11 0.27 -0.20 0.00 0.00 0.00 0.00 175.10 175.06 1tye s ALA 106 N 1.70 1.88 0.25 5.51 0.00 0.44 -1.25 121.76 130.30 1tye s ALA 106 Ca 0.07 -0.81 0.09 0.00 0.00 0.00 0.00 51.96 51.31 1tye s ALA 106 Cb -0.16 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1tye s ALA 106 CO 0.08 0.17 0.01 0.00 0.00 0.00 0.00 175.76 176.02 1tye s ALA 108 N -2.22 1.92 0.35 0.00 0.00 0.34 -0.61 121.76 121.55 1tye s ALA 108 Ca 0.31 -2.58 0.34 0.00 0.00 0.00 0.00 51.96 50.03 1tye s ALA 108 Cb -0.07 -1.78 1.86 0.00 0.00 0.00 0.00 23.12 23.13 1tye s ALA 108 CO 0.20 -2.05 2.04 -1.35 0.00 0.00 0.00 175.76 174.60 1tye h PRO 109 N 6.28 0.00 -0.29 0.00 0.11 -1.69 -2.44 132.00 133.97 1tye h PRO 109 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1tye h PRO 109 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1tye h PRO 109 CO 0.44 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.14 1tye n TRP 110 N -2.74 0.84 -2.15 0.65 8.01 -0.36 -3.96 117.44 117.73 1tye n TRP 110 Ca -0.02 -0.78 -0.42 0.00 -1.31 0.00 0.00 57.50 54.97 1tye n TRP 110 Cb 0.10 -0.24 -0.03 0.00 -2.01 0.00 0.00 31.31 29.13 1tye n TRP 110 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.69 175.54 1tye s GLN 111 N -2.35 4.30 0.23 -0.99 0.74 -1.08 -4.34 119.66 116.17 1tye s GLN 111 Ca 0.37 2.09 -0.08 0.00 0.05 0.00 0.00 55.36 57.80 1tye s GLN 111 Cb 0.29 -3.30 -0.06 0.00 1.10 0.00 0.00 33.01 31.03 1tye s GLN 111 CO 0.11 -0.48 0.52 -1.01 -0.55 0.00 0.00 175.29 173.88 1tye s HIS 112 N 1.35 3.45 0.04 1.67 3.76 -0.47 -1.79 115.29 123.29 1tye s HIS 112 Ca 0.65 0.76 0.02 0.00 -0.15 0.00 0.00 55.06 56.35 1tye s HIS 112 Cb -0.37 -2.18 -0.02 0.00 1.11 0.00 0.00 32.58 31.12 1tye s HIS 112 CO 0.30 0.27 -0.08 -0.46 -0.85 0.00 0.00 174.74 173.92 1tye s TRP 113 N -1.87 0.66 0.14 1.40 -0.11 -0.09 0.14 118.94 119.22 1tye s TRP 113 Ca 0.45 -0.49 -0.21 0.00 1.22 0.00 0.00 56.10 57.07 1tye s TRP 113 Cb -0.11 -0.40 0.06 0.00 -1.50 0.00 0.00 33.47 31.52 1tye s TRP 113 CO 0.24 -0.08 0.54 1.21 -4.62 0.00 0.00 176.95 174.24 1tye s ASN 114 N -1.55 -0.47 -0.05 5.86 3.04 -0.52 -1.32 114.94 119.92 1tye s ASN 114 Ca -0.10 -0.06 -0.02 0.00 0.04 0.00 0.00 52.86 52.72 1tye s ASN 114 Cb -0.10 0.56 0.04 0.00 -1.54 0.00 0.00 41.25 40.21 1tye s ASN 114 CO 0.00 -0.92 0.09 -0.69 -3.04 0.00 0.00 177.10 172.55 1tye s VAL 115 N -3.65 -0.14 -0.12 -5.21 1.01 -1.26 -1.53 120.40 109.50 1tye s VAL 115 Ca 0.01 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.30 1tye s VAL 115 Cb -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1tye s VAL 115 CO -0.12 0.15 0.09 -0.76 0.00 0.00 0.00 175.10 174.47 1tye s LEU 116 N 2.02 4.11 -0.29 3.92 1.43 -0.47 -1.59 118.68 127.80 1tye s LEU 116 Ca 0.02 0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1tye s LEU 116 Cb -0.12 -1.99 0.11 0.00 0.03 0.00 0.00 46.19 44.22 1tye s LEU 116 CO -0.04 0.37 0.19 -0.70 0.23 0.00 0.00 176.35 176.39 1tye s GLU 117 N -0.77 0.24 4.67 1.70 2.12 -0.68 -0.71 118.70 125.27 1tye s GLU 117 Ca 0.13 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1tye s GLU 117 Cb -0.12 -0.99 0.00 0.00 0.26 0.00 0.00 34.13 33.28 1tye s GLU 117 CO 0.03 -1.02 0.00 1.63 -0.54 0.00 0.00 175.26 175.35 1tye n LYS 118 N 5.26 0.00 0.00 4.30 5.02 -1.26 -0.50 118.16 130.98 1tye n LYS 118 Ca -0.05 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.28 1tye n LYS 118 Cb 0.43 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.68 1tye n LYS 118 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1tye n THR 119 N 0.00 0.00 -4.36 -0.18 -2.24 -1.26 -4.78 114.28 101.46 1tye n THR 119 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1tye n THR 119 Cb 0.00 -0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 67.64 1tye n THR 119 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1tye s GLU 120 N -2.00 2.05 0.26 -0.78 2.02 0.34 -5.15 118.70 115.44 1tye s GLU 120 Ca 0.12 -1.67 -0.07 0.00 0.02 0.00 0.00 54.97 53.36 1tye s GLU 120 Cb 0.05 -1.95 -0.01 0.00 0.10 0.00 0.00 34.13 32.32 1tye s GLU 120 CO 0.09 0.23 0.39 -1.83 0.02 0.00 0.00 175.26 174.16 1tye s GLU 121 N -3.66 1.55 -0.07 1.61 -1.05 -1.26 -1.68 118.70 114.13 1tye s GLU 121 Ca 0.33 -1.47 -0.25 0.00 -0.15 0.00 0.00 54.97 53.43 1tye s GLU 121 Cb -0.03 0.41 -0.25 0.00 -0.44 0.00 0.00 34.13 33.83 1tye s GLU 121 CO 0.19 -0.61 0.95 0.00 0.95 0.00 0.00 175.26 176.73 1tye h ALA 122 N 2.31 0.01 0.00 -0.84 0.00 -1.53 0.30 119.26 119.50 1tye h ALA 122 Ca -0.29 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1tye h ALA 122 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1tye h ALA 122 CO 0.41 0.09 0.00 0.39 0.00 0.00 0.00 179.25 180.14 1tye n GLU 123 N -4.49 0.00 -3.02 0.00 1.02 -1.26 -3.43 120.64 109.46 1tye n GLU 123 Ca -0.10 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.60 1tye n GLU 123 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.90 1tye n GLU 123 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1tye s LYS 124 N -2.58 3.23 0.20 3.49 2.20 -1.26 -4.39 119.74 120.63 1tye s LYS 124 Ca 0.00 -0.58 0.05 0.00 -0.36 0.00 0.00 55.97 55.08 1tye s LYS 124 Cb 0.00 -4.06 -0.05 0.00 -1.51 0.00 0.00 37.83 32.21 1tye s LYS 124 CO 0.00 -1.31 -0.06 0.95 -0.36 0.00 0.00 175.35 174.57 1tye s THR 125 N 3.19 1.21 -1.33 3.43 -4.23 -0.44 -4.87 115.64 112.61 1tye s THR 125 Ca 0.22 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.50 1tye s THR 125 Cb -0.16 -2.14 0.08 0.00 1.34 0.00 0.00 72.50 71.62 1tye s THR 125 CO 0.16 -0.51 1.83 -2.65 -0.54 0.00 0.00 174.62 172.90 1tye n PRO 126 N -0.35 3.16 0.11 3.99 -0.02 -1.22 -0.91 135.00 139.77 1tye n PRO 126 Ca -0.07 -3.20 -0.04 0.00 -2.02 0.00 0.00 63.50 58.17 1tye n PRO 126 Cb 0.62 -3.36 0.10 0.00 -0.02 0.00 0.00 33.50 30.83 1tye n PRO 126 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1tye h VAL 127 N 4.99 1.48 -0.44 -1.45 -1.51 -1.56 -2.09 116.25 115.67 1tye h VAL 127 Ca 0.46 -2.35 0.05 0.00 -1.23 0.00 0.00 66.70 63.62 1tye h VAL 127 Cb 0.80 2.27 -0.02 0.00 -2.13 0.00 0.00 31.29 32.21 1tye h VAL 127 CO 1.54 0.68 -0.11 0.61 -1.23 0.00 0.00 177.57 179.06 1tye n GLY 128 N 0.49 -1.91 3.58 5.19 0.00 -0.74 -1.12 105.19 110.68 1tye n GLY 128 Ca -0.01 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 1tye n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tye s SER 129 N -4.82 -0.40 -0.06 1.61 0.15 -0.94 -4.66 113.70 104.58 1tye s SER 129 Ca 0.00 0.46 0.02 0.00 0.70 0.00 0.00 55.95 57.14 1tye s SER 129 Cb 0.00 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.65 1tye s SER 129 CO 0.00 -0.34 -0.12 0.00 1.20 0.00 0.00 173.24 173.98 1tye s PHE 131 N -0.66 3.06 0.04 0.00 0.40 0.13 -0.90 117.98 120.05 1tye s PHE 131 Ca 0.10 -0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 1tye s PHE 131 Cb -0.11 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 1tye s PHE 131 CO 0.01 0.06 -0.00 -0.51 0.70 0.00 0.00 175.22 175.48 1tye s LEU 132 N 0.17 3.49 -0.10 -0.37 2.01 0.49 -0.42 118.68 123.94 1tye s LEU 132 Ca -0.01 -0.08 -0.12 0.00 0.01 0.00 0.00 54.13 53.93 1tye s LEU 132 Cb -0.14 -2.09 0.03 0.00 0.01 0.00 0.00 46.19 44.00 1tye s LEU 132 CO 0.03 0.24 0.33 0.00 1.01 0.00 0.00 176.35 177.95 1tye s ALA 133 N -1.18 -0.82 -0.56 4.21 0.00 -0.59 -1.56 121.76 121.25 1tye s ALA 133 Ca 0.22 0.80 0.03 0.00 0.00 0.00 0.00 51.96 53.02 1tye s ALA 133 Cb -0.12 -0.41 0.14 0.00 0.00 0.00 0.00 23.12 22.74 1tye s ALA 133 CO 0.14 -0.18 0.32 -1.14 0.00 0.00 0.00 175.76 174.90 1tye s GLN 134 N -0.18 2.13 0.30 0.00 0.74 -0.50 -0.76 119.66 121.40 1tye s GLN 134 Ca -0.03 -2.74 0.00 0.00 0.05 0.00 0.00 55.36 52.64 1tye s GLN 134 Cb -0.03 -3.39 0.70 0.00 1.10 0.00 0.00 33.01 31.39 1tye s GLN 134 CO 0.01 -1.14 1.59 -1.35 -0.55 0.00 0.00 175.29 173.85 1tye h PRO 135 N 6.37 0.05 0.19 1.67 0.11 -1.84 0.30 132.00 138.85 1tye h PRO 135 Ca -0.04 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1tye h PRO 135 Cb 0.87 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1tye h PRO 135 CO 0.70 0.03 -0.09 0.93 -0.21 0.00 0.00 178.00 179.36 1tye h GLU 136 N 0.05 -0.24 0.00 1.05 5.08 -1.94 -3.23 114.58 115.34 1tye h GLU 136 Ca 0.56 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.94 1tye h GLU 136 Cb 1.14 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1tye h GLU 136 CO -0.85 0.04 0.00 0.66 -1.00 0.00 0.00 179.01 177.87 1tye h SER 137 N -0.52 0.00 0.00 1.42 4.64 -1.90 -3.47 113.55 113.72 1tye h SER 137 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1tye h SER 137 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1tye h SER 137 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1tye n GLY 138 N 1.14 3.13 3.59 -0.77 0.00 0.07 -5.01 105.19 107.33 1tye n GLY 138 Ca 0.05 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 1tye n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tye n ARG 139 N -2.00 1.27 -4.24 1.61 1.74 -1.23 -4.77 116.66 109.04 1tye n ARG 139 Ca 0.00 0.45 -0.22 0.00 -0.77 0.00 0.00 57.85 57.31 1tye n ARG 139 Cb 0.00 -1.95 -0.12 0.00 -1.02 0.00 0.00 32.46 29.36 1tye n ARG 139 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1tye s ARG 140 N -0.48 1.01 0.18 5.56 1.81 -1.26 -1.40 118.95 124.36 1tye s ARG 140 Ca 0.71 -1.09 -0.08 0.00 -1.72 0.00 0.00 55.73 53.55 1tye s ARG 140 Cb -0.82 -1.17 -0.01 0.00 -0.45 0.00 0.00 34.95 32.50 1tye s ARG 140 CO 0.53 0.27 0.28 0.00 -0.68 0.00 0.00 175.30 175.70 1tye s ALA 141 N -1.23 0.13 0.02 2.13 0.00 -0.60 -4.99 121.76 117.21 1tye s ALA 141 Ca 0.03 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 1tye s ALA 141 Cb -0.10 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 1tye s ALA 141 CO 0.03 -0.66 -0.00 -2.00 0.00 0.00 0.00 175.76 173.13 1tye s GLU 142 N -4.00 0.39 -0.15 0.00 2.12 -1.26 -0.38 118.70 115.42 1tye s GLU 142 Ca 0.20 -0.67 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 1tye s GLU 142 Cb 0.03 0.14 0.07 0.00 0.26 0.00 0.00 34.13 34.63 1tye s GLU 142 CO 0.03 -0.07 0.20 -0.47 -0.54 0.00 0.00 175.26 174.40 1tye s TYR 143 N -1.84 -0.24 -0.42 5.30 5.04 -0.08 -4.82 117.35 120.29 1tye s TYR 143 Ca -0.12 0.45 0.06 0.00 -2.44 0.00 0.00 57.07 55.03 1tye s TYR 143 Cb -0.07 -0.29 0.22 0.00 0.35 0.00 0.00 41.96 42.17 1tye s TYR 143 CO -0.02 -0.44 0.47 0.45 -1.34 0.00 0.00 175.55 174.68 1tye n SER 144 N 5.32 0.27 0.33 4.32 2.88 -1.26 -1.08 113.62 124.41 1tye n SER 144 Ca -0.05 -2.65 0.20 0.00 -1.33 0.00 0.00 58.87 55.04 1tye n SER 144 Cb 0.50 -0.62 1.08 0.00 -0.75 0.00 0.00 64.21 64.42 1tye n SER 144 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1tye h PRO 145 N 4.62 0.00 -0.01 -1.46 0.13 -1.92 -2.82 132.00 130.54 1tye h PRO 145 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1tye h PRO 145 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1tye h PRO 145 CO 0.46 0.00 -0.36 0.00 -0.23 0.00 0.00 178.00 177.87 1tye s ARG 147 N -2.53 3.86 0.30 0.00 0.52 -1.07 -4.60 118.95 115.44 1tye s ARG 147 Ca 0.21 1.98 -0.01 0.00 -0.52 0.00 0.00 55.73 57.40 1tye s ARG 147 Cb 0.19 -2.60 -0.02 0.00 0.52 0.00 0.00 34.95 33.04 1tye s ARG 147 CO 0.56 -0.53 0.36 0.20 0.02 0.00 0.00 175.30 175.91 1tye s GLY 148 N -1.02 1.61 -0.04 -3.53 0.00 -1.26 -5.00 107.32 98.08 1tye s GLY 148 Ca 0.60 -1.64 0.09 0.00 0.00 0.00 0.00 44.72 43.78 1tye s GLY 148 CO 0.42 -1.16 1.08 1.16 0.00 0.00 0.00 173.10 174.60 1tye n ASN 149 N -1.13 0.80 -4.74 1.64 6.94 -1.26 -4.85 115.26 112.65 1tye n ASN 149 Ca 0.03 -2.37 -0.41 0.00 -0.02 0.00 0.00 54.58 51.81 1tye n ASN 149 Cb 0.63 -0.29 -0.05 0.00 -2.36 0.00 0.00 39.78 37.71 1tye n ASN 149 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1tye s THR 150 N -0.84 4.16 0.42 5.53 2.01 -1.26 -5.03 115.64 120.63 1tye s THR 150 Ca 0.16 1.91 -0.20 0.00 0.31 0.00 0.00 61.69 63.86 1tye s THR 150 Cb 0.15 -4.22 -0.11 0.00 0.01 0.00 0.00 72.50 68.34 1tye s THR 150 CO -0.03 0.35 0.93 -0.76 -0.69 0.00 0.00 174.62 174.42 1tye s LEU 151 N -0.44 3.95 0.20 4.42 1.43 -1.26 -4.53 118.68 122.45 1tye s LEU 151 Ca 0.46 1.65 -0.23 0.00 -1.03 0.00 0.00 54.13 54.99 1tye s LEU 151 Cb -0.26 -4.50 0.11 0.00 0.03 0.00 0.00 46.19 41.57 1tye s LEU 151 CO 0.32 -0.35 1.56 -1.28 0.23 0.00 0.00 176.35 176.83 1tye h SER 152 N 1.93 -1.60 -1.07 2.29 0.87 -0.95 -1.21 113.55 113.81 1tye h SER 152 Ca -0.49 0.29 0.29 0.00 -1.23 0.00 0.00 61.79 60.65 1tye h SER 152 Cb 1.18 0.77 -0.09 0.00 -0.44 0.00 0.00 62.40 63.83 1tye h SER 152 CO 0.61 -0.29 0.71 -0.09 -0.53 0.00 0.00 176.83 177.25 1tye h ARG 153 N -0.07 0.28 -0.72 2.24 2.43 -1.89 -0.81 114.38 115.84 1tye h ARG 153 Ca 0.26 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1tye h ARG 153 Cb 0.54 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1tye h ARG 153 CO -0.88 0.19 0.29 0.82 -1.51 0.00 0.00 179.97 178.87 1tye h ILE 154 N 0.29 1.25 -0.23 1.20 1.08 -1.60 -2.46 117.51 117.04 1tye h ILE 154 Ca 0.59 -0.78 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 1tye h ILE 154 Cb 1.70 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 1tye h ILE 154 CO -0.24 0.31 -0.08 1.88 -0.69 0.00 0.00 178.15 179.34 1tye h TYR 155 N 1.03 0.37 0.23 1.37 0.05 -1.22 0.88 116.97 119.69 1tye h TYR 155 Ca 0.24 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.97 1tye h TYR 155 Cb 0.21 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.85 1tye h TYR 155 CO 0.02 0.44 -0.11 0.28 -1.05 0.00 0.00 178.16 177.74 1tye h VAL 156 N 0.34 0.83 0.00 -2.88 2.07 -1.39 0.69 116.25 115.92 1tye h VAL 156 Ca 0.07 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1tye h VAL 156 Cb 0.36 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1tye h VAL 156 CO 0.02 0.13 -0.11 -0.33 0.02 0.00 0.00 177.57 177.30 1tye h GLU 157 N -0.64 0.00 0.00 1.57 5.08 -1.32 -1.34 114.58 117.93 1tye h GLU 157 Ca -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1tye h GLU 157 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1tye h GLU 157 CO 0.05 0.11 -0.36 -0.91 -1.00 0.00 0.00 179.01 176.90 1tye h ASN 158 N 0.00 0.00 -2.83 1.42 -0.26 -0.58 -3.47 115.58 109.87 1tye h ASN 158 Ca -0.00 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.62 1tye h ASN 158 Cb 0.24 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 37.55 1tye h ASN 158 CO 0.01 0.36 -0.23 -0.67 -1.06 0.00 0.00 177.43 175.85 1tye n ASP 159 N -3.47 -2.75 -3.93 5.81 -0.08 -0.13 -3.85 116.55 108.15 1tye n ASP 159 Ca 0.00 -0.18 -0.26 0.00 -1.51 0.00 0.00 54.79 52.83 1tye n ASP 159 Cb 0.52 -1.95 -0.01 0.00 2.34 0.00 0.00 41.12 42.01 1tye n ASP 159 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1tye n PHE 160 N -2.69 -1.66 -3.31 -0.67 3.01 0.22 -4.99 117.46 107.37 1tye n PHE 160 Ca -0.04 0.70 -0.32 0.00 1.01 0.00 0.00 57.45 58.80 1tye n PHE 160 Cb 0.54 -3.69 -0.05 0.00 -0.01 0.00 0.00 39.48 36.26 1tye n PHE 160 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1tye s SER 161 N -4.27 6.63 -1.69 4.37 0.01 -1.25 -4.13 113.70 113.37 1tye s SER 161 Ca 0.06 0.99 -0.16 0.00 1.31 0.00 0.00 55.95 58.15 1tye s SER 161 Cb -0.02 -2.25 0.14 0.00 0.21 0.00 0.00 66.02 64.10 1tye s SER 161 CO 0.89 -0.14 0.65 0.79 0.41 0.00 0.00 173.24 175.84 1tye n TRP 162 N -0.35 -1.58 -3.02 2.43 7.02 -1.26 -4.87 117.44 115.81 1tye n TRP 162 Ca 0.01 0.76 -0.44 0.00 -1.02 0.00 0.00 57.50 56.80 1tye n TRP 162 Cb 0.53 -2.83 -0.03 0.00 -2.42 0.00 0.00 31.31 26.55 1tye n TRP 162 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1tye s ASP 163 N -3.50 6.40 -0.26 -0.99 -1.08 -1.26 -4.85 116.67 111.12 1tye s ASP 163 Ca 0.61 -1.70 0.13 0.00 -0.52 0.00 0.00 52.55 51.07 1tye s ASP 163 Cb -0.34 -2.35 0.74 0.00 -1.46 0.00 0.00 42.92 39.52 1tye s ASP 163 CO 0.95 -1.10 1.72 0.29 0.52 0.00 0.00 175.17 177.54 1tye n LYS 164 N 6.42 4.09 0.20 4.34 5.02 -1.26 -1.40 118.16 135.57 1tye n LYS 164 Ca 0.06 -3.10 0.14 0.00 -2.02 0.00 0.00 58.31 53.39 1tye n LYS 164 Cb 0.46 -2.18 0.67 0.00 -0.02 0.00 0.00 35.03 33.96 1tye n LYS 164 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tye h ARG 165 N 3.08 0.00 0.00 1.97 3.08 -1.89 -3.15 114.38 117.48 1tye h ARG 165 Ca 0.11 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 1tye h ARG 165 Cb 2.03 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.91 1tye h ARG 165 CO 0.54 0.00 -0.72 0.66 -1.07 0.00 0.00 179.97 179.39 1tye n TYR 166 N -2.52 0.00 -0.19 3.04 4.01 -1.26 -3.39 117.16 116.85 1tye n TYR 166 Ca -0.00 -0.96 -0.04 0.00 -0.16 0.00 0.00 57.90 56.73 1tye n TYR 166 Cb 0.16 -0.19 0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1tye n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tye n GLU 168 N -5.43 -4.19 -1.66 0.00 1.02 -0.79 -1.17 120.64 108.43 1tye n GLU 168 Ca 0.05 0.52 -0.45 0.00 -0.02 0.00 0.00 57.16 57.26 1tye n GLU 168 Cb 0.35 -4.59 -0.02 0.00 -0.02 0.00 0.00 31.44 27.16 1tye n GLU 168 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tye n ALA 169 N -3.05 0.81 -0.39 0.62 0.00 -0.28 -2.18 120.51 116.06 1tye n ALA 169 Ca -0.16 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1tye n ALA 169 Cb 0.60 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1tye n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tye n GLY 170 N 1.76 0.79 0.36 0.00 0.00 -1.04 -3.59 105.19 103.47 1tye n GLY 170 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 1tye n GLY 170 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tye h PHE 171 N 0.00 1.06 -3.89 1.61 3.04 -0.99 -3.43 116.94 114.33 1tye h PHE 171 Ca 0.00 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.77 1tye h PHE 171 Cb 0.00 -0.35 -0.15 0.00 2.56 0.00 0.00 35.95 38.00 1tye h PHE 171 CO 0.00 0.62 -0.70 -1.54 -2.02 0.00 0.00 178.31 174.67 1tye s SER 172 N -6.15 1.01 -0.12 0.41 1.04 -1.23 -4.84 113.70 103.81 1tye s SER 172 Ca -0.12 -0.98 -0.30 0.00 0.48 0.00 0.00 55.95 55.04 1tye s SER 172 Cb 0.19 0.11 0.09 0.00 0.10 0.00 0.00 66.02 66.51 1tye s SER 172 CO 0.80 -0.47 0.80 -0.94 0.98 0.00 0.00 173.24 174.40 1tye s SER 173 N -2.94 -0.58 0.10 7.02 1.04 -1.26 -1.76 113.70 115.32 1tye s SER 173 Ca 0.10 0.73 -0.17 0.00 0.48 0.00 0.00 55.95 57.09 1tye s SER 173 Cb 0.05 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.82 1tye s SER 173 CO -0.05 -0.46 0.42 0.68 0.98 0.00 0.00 173.24 174.81 1tye s VAL 174 N -0.87 0.06 -0.06 5.02 -7.23 -0.97 -4.92 120.40 111.43 1tye s VAL 174 Ca -0.06 -0.50 0.03 0.00 -1.81 0.00 0.00 61.98 59.64 1tye s VAL 174 Cb -0.01 -1.08 0.01 0.00 0.56 0.00 0.00 36.38 35.85 1tye s VAL 174 CO 0.05 -0.27 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.73 1tye s VAL 175 N -3.30 1.29 0.81 1.32 1.01 -1.26 -0.32 120.40 119.95 1tye s VAL 175 Ca -0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1tye s VAL 175 Cb 0.01 -1.14 0.08 0.00 0.00 0.00 0.00 36.38 35.33 1tye s VAL 175 CO -0.08 0.38 1.09 0.42 0.00 0.00 0.00 175.10 176.91 1tye s THR 176 N 0.41 3.09 0.23 3.92 -4.23 -0.35 -4.88 115.64 113.84 1tye s THR 176 Ca -0.11 0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 60.69 1tye s THR 176 Cb -0.14 -2.96 0.18 0.00 1.34 0.00 0.00 72.50 70.93 1tye s THR 176 CO 0.04 -0.46 1.82 1.56 -0.54 0.00 0.00 174.62 177.04 1tye h GLN 177 N -1.21 0.79 0.00 3.99 4.20 -2.01 -0.70 115.11 120.17 1tye h GLN 177 Ca -0.47 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.19 1tye h GLN 177 Cb 1.26 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1tye h GLN 177 CO 0.56 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 179.24 1tye n ALA 178 N -2.36 1.91 -2.17 3.87 0.00 -1.26 -4.82 120.51 115.67 1tye n ALA 178 Ca 0.11 -0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1tye n ALA 178 Cb 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1tye n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tye n GLY 179 N -0.10 0.26 3.56 0.00 0.00 -0.27 -4.93 105.19 103.71 1tye n GLY 179 Ca 0.00 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 1tye n GLY 179 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tye s GLU 180 N -4.36 3.85 -0.09 1.61 2.02 -1.25 -0.47 118.70 120.01 1tye s GLU 180 Ca 0.02 -0.39 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 1tye s GLU 180 Cb -0.01 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.56 1tye s GLU 180 CO 0.02 -0.22 1.12 -1.17 0.02 0.00 0.00 175.26 175.03 1tye s LEU 181 N 1.74 4.25 -0.26 1.80 2.96 0.26 -1.21 118.68 128.22 1tye s LEU 181 Ca 0.07 1.67 -0.02 0.00 -0.22 0.00 0.00 54.13 55.63 1tye s LEU 181 Cb -0.16 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.00 1tye s LEU 181 CO 0.10 -0.55 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.84 1tye s VAL 182 N 2.30 2.90 -0.16 1.68 1.01 0.57 -1.94 120.40 126.76 1tye s VAL 182 Ca 0.52 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1tye s VAL 182 Cb -0.21 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1tye s VAL 182 CO 0.19 0.14 0.13 -0.76 0.00 0.00 0.00 175.10 174.80 1tye s LEU 183 N 1.31 4.26 -0.18 3.92 1.02 0.98 -2.29 118.68 127.70 1tye s LEU 183 Ca -0.01 0.33 -0.12 0.00 0.02 0.00 0.00 54.13 54.35 1tye s LEU 183 Cb -0.17 -2.07 -0.05 0.00 0.02 0.00 0.00 46.19 43.92 1tye s LEU 183 CO -0.04 0.29 0.22 -0.83 0.02 0.00 0.00 176.35 176.01 1tye s GLY 184 N -0.30 2.13 -0.51 -3.19 0.00 -0.73 -1.16 107.32 103.57 1tye s GLY 184 Ca 0.11 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.31 1tye s GLY 184 CO 0.01 0.29 0.36 0.00 0.00 0.00 0.00 173.10 173.76 1tye s ALA 185 N 0.39 2.32 0.56 3.20 0.00 0.19 -2.27 121.76 126.15 1tye s ALA 185 Ca 0.13 -2.90 0.28 0.00 0.00 0.00 0.00 51.96 49.47 1tye s ALA 185 Cb -0.12 -1.84 1.47 0.00 0.00 0.00 0.00 23.12 22.63 1tye s ALA 185 CO 0.01 -2.04 1.94 -1.00 0.00 0.00 0.00 175.76 174.67 1tye h PRO 186 N 5.87 0.00 -0.00 0.00 0.13 -1.65 0.23 132.00 136.57 1tye h PRO 186 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1tye h PRO 186 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1tye h PRO 186 CO 0.50 0.00 -0.15 0.41 -0.23 0.00 0.00 178.00 178.53 1tye n GLY 187 N -1.58 -0.88 3.67 1.56 0.00 -0.31 -2.40 105.19 105.25 1tye n GLY 187 Ca 0.10 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1tye n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tye n GLY 188 N 1.30 0.31 3.49 -0.02 0.00 0.06 -1.37 105.19 108.96 1tye n GLY 188 Ca 0.13 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 1tye n GLY 188 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tye n TYR 189 N -0.40 -2.16 -3.74 1.61 4.01 -0.49 0.65 117.16 116.64 1tye n TYR 189 Ca 0.08 0.78 -0.25 0.00 -0.16 0.00 0.00 57.90 58.35 1tye n TYR 189 Cb 0.40 -4.22 0.04 0.00 -0.31 0.00 0.00 39.34 35.26 1tye n TYR 189 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1tye n TYR 190 N -3.86 -2.28 -0.82 -0.72 4.19 -1.04 -3.29 117.16 109.34 1tye n TYR 190 Ca -0.17 0.91 0.00 0.00 3.31 0.00 0.00 57.90 61.95 1tye n TYR 190 Cb 0.64 -4.42 0.00 0.00 0.49 0.00 0.00 39.34 36.04 1tye n TYR 190 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 1tye n PHE 191 N -4.56 0.00 0.07 2.98 3.72 -0.47 -4.67 117.46 114.53 1tye n PHE 191 Ca -0.11 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.10 1tye n PHE 191 Cb 0.59 -0.22 -0.15 0.00 -0.94 0.00 0.00 39.48 38.77 1tye n PHE 191 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1tye h LEU 192 N 0.00 0.49 0.00 4.37 4.07 -1.21 -2.94 115.31 120.09 1tye h LEU 192 Ca 0.00 -0.69 0.00 0.00 0.08 0.00 0.00 57.88 57.27 1tye h LEU 192 Cb 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.58 1tye h LEU 192 CO 0.00 1.58 0.00 0.61 -1.08 0.00 0.00 178.44 179.55 1tye n GLY 193 N 1.73 1.84 3.36 0.83 0.00 0.21 -0.45 105.19 112.71 1tye n GLY 193 Ca -0.19 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 1tye n GLY 193 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1tye s LEU 194 N -0.17 0.91 0.01 0.99 0.05 0.59 -4.69 118.68 116.36 1tye s LEU 194 Ca 0.00 -1.00 0.08 0.00 0.05 0.00 0.00 54.13 53.26 1tye s LEU 194 Cb 0.00 1.11 -0.03 0.00 -2.05 0.00 0.00 46.19 45.23 1tye s LEU 194 CO 0.00 -0.93 -0.23 -0.76 -0.55 0.00 0.00 176.35 173.88 1tye s LEU 195 N -3.02 2.29 -0.09 1.48 1.02 -1.26 0.57 118.68 119.66 1tye s LEU 195 Ca 0.23 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.93 1tye s LEU 195 Cb 0.03 -1.39 0.02 0.00 0.02 0.00 0.00 46.19 44.87 1tye s LEU 195 CO 0.04 0.29 -0.12 0.00 0.02 0.00 0.00 176.35 176.59 1tye s ALA 196 N -0.74 1.40 0.05 4.21 0.00 -0.31 -1.01 121.76 125.36 1tye s ALA 196 Ca 0.12 -0.54 0.09 0.00 0.00 0.00 0.00 51.96 51.63 1tye s ALA 196 Cb -0.10 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1tye s ALA 196 CO 0.01 -0.07 -0.25 1.14 0.00 0.00 0.00 175.76 176.60 1tye s GLN 197 N 1.00 1.66 -0.27 0.00 -2.07 0.58 -0.02 119.66 120.54 1tye s GLN 197 Ca -0.08 -1.09 -0.25 0.00 -1.82 0.00 0.00 55.36 52.13 1tye s GLN 197 Cb -0.15 -1.84 0.09 0.00 -1.09 0.00 0.00 33.01 30.02 1tye s GLN 197 CO -0.01 0.47 0.83 0.00 -1.32 0.00 0.00 175.29 175.27 1tye s ALA 198 N -0.83 -1.86 0.17 2.60 0.00 -0.82 -0.56 121.76 120.46 1tye s ALA 198 Ca 0.11 1.99 -0.31 0.00 0.00 0.00 0.00 51.96 53.75 1tye s ALA 198 Cb -0.10 -1.29 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 1tye s ALA 198 CO 0.02 -0.30 1.48 -2.14 0.00 0.00 0.00 175.76 174.82 1tye s PRO 199 N 0.39 4.26 0.29 0.00 0.02 -1.26 -0.57 135.00 138.13 1tye s PRO 199 Ca 0.01 2.25 0.04 0.00 0.02 0.00 0.00 61.00 63.32 1tye s PRO 199 Cb -0.05 -3.18 0.70 0.00 0.02 0.00 0.00 34.50 32.00 1tye s PRO 199 CO -0.03 -0.51 1.76 0.28 -0.33 0.00 0.00 177.00 178.17 1tye h VAL 200 N 3.99 0.66 -0.00 3.83 2.07 -1.12 -1.02 116.25 124.66 1tye h VAL 200 Ca -0.43 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1tye h VAL 200 Cb 1.21 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1tye h VAL 200 CO 0.87 0.12 -0.16 0.00 0.02 0.00 0.00 177.57 178.42 1tye h ALA 201 N 1.64 -0.19 0.00 1.67 0.00 -1.91 -1.72 119.26 118.75 1tye h ALA 201 Ca 0.56 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.43 1tye h ALA 201 Cb 0.90 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1tye h ALA 201 CO -0.41 -0.65 -0.22 -0.44 0.00 0.00 0.00 179.25 177.53 1tye h ASP 202 N -0.27 0.00 -0.38 0.00 3.32 -1.62 -1.28 116.42 116.19 1tye h ASP 202 Ca 0.05 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 1tye h ASP 202 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1tye h ASP 202 CO -0.16 0.22 -0.35 0.40 -1.72 0.00 0.00 179.24 177.64 1tye h ILE 203 N 0.00 1.28 -0.52 0.35 2.04 -0.72 -2.50 117.51 117.44 1tye h ILE 203 Ca -0.00 -1.52 -0.12 0.00 1.00 0.00 0.00 64.86 64.22 1tye h ILE 203 Cb 0.40 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1tye h ILE 203 CO 0.03 0.51 -0.16 -0.26 0.00 0.00 0.00 178.15 178.27 1tye h PHE 204 N 0.72 1.15 -0.00 1.37 0.04 -0.64 -2.73 116.94 116.85 1tye h PHE 204 Ca 0.06 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1tye h PHE 204 Cb 0.94 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1tye h PHE 204 CO 0.06 1.08 -0.06 -1.13 -0.60 0.00 0.00 178.31 177.66 1tye n SER 205 N -4.13 0.15 -0.00 2.17 3.41 -0.55 -3.55 113.62 111.13 1tye n SER 205 Ca 0.01 -0.12 0.07 0.00 -0.26 0.00 0.00 58.87 58.56 1tye n SER 205 Cb 0.43 -0.24 -0.09 0.00 -0.26 0.00 0.00 64.21 64.05 1tye n SER 205 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1tye n SER 206 N -1.26 1.08 -4.76 4.04 3.41 -0.95 -4.99 113.62 110.19 1tye n SER 206 Ca 0.12 -0.51 -0.40 0.00 -0.26 0.00 0.00 58.87 57.82 1tye n SER 206 Cb 0.28 1.23 -0.03 0.00 -0.26 0.00 0.00 64.21 65.43 1tye n SER 206 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1tye s TYR 207 N -2.52 3.38 -0.17 7.33 5.04 -1.04 -5.01 117.35 124.36 1tye s TYR 207 Ca 0.01 1.61 -0.05 0.00 -2.44 0.00 0.00 57.07 56.21 1tye s TYR 207 Cb 0.10 -3.38 0.08 0.00 0.35 0.00 0.00 41.96 39.11 1tye s TYR 207 CO 0.56 -0.95 0.29 1.03 -1.34 0.00 0.00 175.55 175.15 1tye s ARG 208 N -1.69 0.21 0.17 4.97 0.52 -1.26 -5.03 118.95 116.83 1tye s ARG 208 Ca 0.48 0.66 -0.33 0.00 -0.52 0.00 0.00 55.73 56.02 1tye s ARG 208 Cb -0.33 -0.26 -0.16 0.00 0.52 0.00 0.00 34.95 34.73 1tye s ARG 208 CO 0.43 -0.40 1.20 -2.30 0.02 0.00 0.00 175.30 174.25 1tye n PRO 209 N 5.35 1.25 0.00 3.54 -0.02 -1.26 -1.92 135.00 141.94 1tye n PRO 209 Ca -0.06 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1tye n PRO 209 Cb 0.50 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1tye n PRO 209 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tye n GLY 210 N 2.08 3.26 3.58 -1.23 0.00 -1.26 -5.03 105.19 106.59 1tye n GLY 210 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1tye n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tye s ILE 211 N -2.57 5.24 0.03 -0.61 1.01 -0.81 -4.96 121.20 118.54 1tye s ILE 211 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.93 1tye s ILE 211 Cb 0.00 -3.65 -0.24 0.00 0.01 0.00 0.00 42.46 38.57 1tye s ILE 211 CO 0.00 0.13 0.96 -0.07 0.00 0.00 0.00 174.94 175.96 1tye h LEU 212 N 8.52 0.17 -7.69 2.97 4.07 -1.96 -3.46 115.31 117.94 1tye h LEU 212 Ca -0.33 -0.23 -0.62 0.00 0.08 0.00 0.00 57.88 56.78 1tye h LEU 212 Cb 1.17 -0.06 -0.38 0.00 1.08 0.00 0.00 40.66 42.48 1tye h LEU 212 CO 0.61 1.19 -0.79 -0.22 -1.08 0.00 0.00 178.44 178.16 1tye s LEU 213 N -6.68 2.79 0.28 1.67 2.96 -1.26 -5.02 118.68 113.41 1tye s LEU 213 Ca -0.05 -1.24 -0.03 0.00 -0.22 0.00 0.00 54.13 52.60 1tye s LEU 213 Cb 0.08 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 1tye s LEU 213 CO 0.84 -0.23 0.34 -1.66 -1.32 0.00 0.00 176.35 174.32 1tye s TRP 214 N 1.32 1.06 -0.07 5.38 -2.14 -1.26 -5.16 118.94 118.07 1tye s TRP 214 Ca -0.06 -1.26 0.01 0.00 2.66 0.00 0.00 56.10 57.44 1tye s TRP 214 Cb -0.19 -0.28 0.02 0.00 -3.10 0.00 0.00 33.47 29.92 1tye s TRP 214 CO -0.06 -0.91 -0.07 -1.01 -2.66 0.00 0.00 176.95 172.24 1tye s HIS 215 N -3.66 1.11 -0.47 1.66 3.76 -1.26 -4.94 115.29 111.49 1tye s HIS 215 Ca 0.33 -0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.54 1tye s HIS 215 Cb 0.02 -0.93 0.03 0.00 1.11 0.00 0.00 32.58 32.82 1tye s HIS 215 CO 0.17 -0.31 1.12 0.08 -0.85 0.00 0.00 174.74 174.95 1tye s VAL 216 N 1.16 4.24 0.58 -0.90 1.01 -1.26 -4.89 120.40 120.33 1tye s VAL 216 Ca -0.06 1.22 0.31 0.00 0.00 0.00 0.00 61.98 63.45 1tye s VAL 216 Cb -0.14 -4.58 0.45 0.00 0.00 0.00 0.00 36.38 32.10 1tye s VAL 216 CO -0.01 -0.97 1.77 0.77 0.00 0.00 0.00 175.10 176.66 1tye h SER 217 N 9.15 0.00 -0.03 3.32 4.64 -1.98 -0.85 113.55 127.80 1tye h SER 217 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1tye h SER 217 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1tye h SER 217 CO 1.12 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.54 1tye n SER 218 N -3.81 2.39 -4.77 4.97 3.41 -1.26 -4.97 113.62 109.59 1tye n SER 218 Ca 0.17 -1.80 -0.37 0.00 -0.26 0.00 0.00 58.87 56.62 1tye n SER 218 Cb 1.02 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 1tye n SER 218 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tye s GLN 219 N -1.99 3.58 -0.09 4.33 -2.07 -0.33 -4.80 119.66 118.29 1tye s GLN 219 Ca 0.32 1.81 0.01 0.00 -1.82 0.00 0.00 55.36 55.68 1tye s GLN 219 Cb 0.20 -2.30 0.02 0.00 -1.09 0.00 0.00 33.01 29.84 1tye s GLN 219 CO 0.31 -0.71 -0.10 0.45 -1.32 0.00 0.00 175.29 173.93 1tye s SER 220 N -1.38 2.01 0.02 12.60 0.15 0.28 -4.99 113.70 122.38 1tye s SER 220 Ca 0.67 -0.30 0.06 0.00 0.70 0.00 0.00 55.95 57.07 1tye s SER 220 Cb -0.29 -0.84 -0.03 0.00 -1.71 0.00 0.00 66.02 63.15 1tye s SER 220 CO 0.35 -0.05 -0.17 -0.76 1.20 0.00 0.00 173.24 173.80 1tye s LEU 221 N 1.27 2.61 1.22 3.45 1.02 -1.26 -0.31 118.68 126.68 1tye s LEU 221 Ca -0.03 -0.37 -0.19 0.00 0.02 0.00 0.00 54.13 53.56 1tye s LEU 221 Cb -0.14 -1.52 0.29 0.00 0.02 0.00 0.00 46.19 44.84 1tye s LEU 221 CO -0.03 0.28 1.07 -0.94 0.02 0.00 0.00 176.35 176.74 1tye s SER 222 N -1.23 0.72 0.41 2.29 1.04 -0.18 -5.00 113.70 111.75 1tye s SER 222 Ca 0.14 0.79 0.08 0.00 0.48 0.00 0.00 55.95 57.44 1tye s SER 222 Cb -0.10 -1.15 -0.03 0.00 0.10 0.00 0.00 66.02 64.83 1tye s SER 222 CO 0.04 -4.27 0.29 -0.36 0.98 0.00 0.00 173.24 169.93 1tye s PHE 223 N -2.82 2.68 0.76 5.02 0.08 -1.26 -4.84 117.98 117.60 1tye s PHE 223 Ca 0.70 -0.51 -0.09 0.00 0.12 0.00 0.00 56.93 57.15 1tye s PHE 223 Cb -0.12 -2.05 0.08 0.00 -0.57 0.00 0.00 43.02 40.35 1tye s PHE 223 CO 0.57 0.02 1.10 0.34 -0.10 0.00 0.00 175.22 177.15 1tye s ASP 224 N -4.03 4.59 -0.03 1.36 -1.08 -1.26 -4.97 116.67 111.24 1tye s ASP 224 Ca 0.45 0.55 -0.19 0.00 -0.52 0.00 0.00 52.55 52.84 1tye s ASP 224 Cb -0.01 -1.10 0.03 0.00 -1.46 0.00 0.00 42.92 40.39 1tye s ASP 224 CO 0.26 -1.79 0.40 -0.55 0.52 0.00 0.00 175.17 174.01 1tye s SER 225 N -4.57 -0.31 0.00 -0.34 0.15 -1.26 -5.03 113.70 102.34 1tye s SER 225 Ca 0.62 0.26 0.17 0.00 0.70 0.00 0.00 55.95 57.70 1tye s SER 225 Cb -0.10 0.38 0.16 0.00 -1.71 0.00 0.00 66.02 64.75 1tye s SER 225 CO 0.47 -0.47 1.07 -1.54 1.20 0.00 0.00 173.24 173.97 1tye n SER 226 N 1.25 2.51 -4.62 5.45 3.41 -1.26 -4.93 113.62 115.43 1tye n SER 226 Ca -0.21 -1.74 -0.43 0.00 -0.26 0.00 0.00 58.87 56.23 1tye n SER 226 Cb 0.56 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1tye n SER 226 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1tye s ASN 227 N -1.43 6.61 0.52 4.04 3.04 -1.26 -4.91 114.94 121.55 1tye s ASN 227 Ca 0.21 1.14 0.29 0.00 0.04 0.00 0.00 52.86 54.54 1tye s ASN 227 Cb 0.15 -2.54 1.57 0.00 -1.54 0.00 0.00 41.25 38.89 1tye s ASN 227 CO 0.22 -1.14 1.87 -0.65 -3.04 0.00 0.00 177.10 174.35 1tye h PRO 228 N 9.54 0.00 0.00 0.43 0.11 -1.98 -0.32 132.00 139.78 1tye h PRO 228 Ca -0.26 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1tye h PRO 228 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1tye h PRO 228 CO 1.04 0.00 -0.11 0.93 -0.21 0.00 0.00 178.00 179.66 1tye h GLU 229 N 0.00 0.00 0.00 1.05 5.08 -1.98 -2.47 114.58 116.25 1tye h GLU 229 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tye h GLU 229 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1tye h GLU 229 CO 0.00 0.11 -0.65 1.88 -1.00 0.00 0.00 179.01 179.34 1tye h TYR 230 N 0.00 0.00 -2.39 4.33 -1.99 -1.45 0.37 116.97 115.84 1tye h TYR 230 Ca -0.00 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 60.15 1tye h TYR 230 Cb 0.24 0.00 0.06 0.00 2.00 0.00 0.00 36.73 39.04 1tye h TYR 230 CO 0.00 0.00 0.75 1.19 -0.00 0.00 0.00 178.16 180.10 1tye n PHE 231 N -2.59 2.25 -1.73 4.88 3.01 -0.93 -1.31 117.46 121.05 1tye n PHE 231 Ca 0.02 0.31 -0.15 0.00 1.01 0.00 0.00 57.45 58.64 1tye n PHE 231 Cb 0.51 -2.52 -0.05 0.00 -0.01 0.00 0.00 39.48 37.41 1tye n PHE 231 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1tye n ASP 232 N 3.08 -4.01 0.11 4.37 8.00 -1.12 -4.72 116.55 122.26 1tye n ASP 232 Ca 0.15 0.29 0.13 0.00 0.71 0.00 0.00 54.79 56.08 1tye n ASP 232 Cb 0.29 -3.60 0.44 0.00 -0.02 0.00 0.00 41.12 38.24 1tye n ASP 232 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tye n GLY 233 N -0.45 -1.56 3.50 0.44 0.00 -0.42 -4.69 105.19 102.02 1tye n GLY 233 Ca -0.15 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1tye n GLY 233 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tye n TYR 234 N -2.22 -2.21 -1.62 1.61 4.01 -1.12 -2.88 117.16 112.74 1tye n TYR 234 Ca 0.05 0.73 -0.45 0.00 -0.16 0.00 0.00 57.90 58.06 1tye n TYR 234 Cb 0.36 -4.09 -0.04 0.00 -0.31 0.00 0.00 39.34 35.26 1tye n TYR 234 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1tye n TRP 235 N -4.54 2.16 0.00 -0.72 -0.00 0.40 -2.05 117.44 112.68 1tye n TRP 235 Ca -0.02 -0.10 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 1tye n TRP 235 Cb 0.56 -2.70 0.00 0.00 -0.00 0.00 0.00 31.31 29.17 1tye n TRP 235 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1tye n GLY 236 N 5.19 1.55 0.21 5.87 0.00 -0.55 -2.95 105.19 114.51 1tye n GLY 236 Ca 0.27 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.37 1tye n GLY 236 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1tye h TYR 237 N 0.00 0.00 -3.20 1.61 5.03 -0.70 -3.35 116.97 116.36 1tye h TYR 237 Ca 0.00 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 1tye h TYR 237 Cb 0.00 0.00 -0.18 0.00 1.55 0.00 0.00 36.73 38.10 1tye h TYR 237 CO 0.00 0.28 -0.28 -1.54 -1.32 0.00 0.00 178.16 175.31 1tye s SER 238 N -6.34 -0.14 0.05 -2.11 1.04 -1.24 -4.57 113.70 100.39 1tye s SER 238 Ca -0.00 -0.08 -0.08 0.00 0.48 0.00 0.00 55.95 56.27 1tye s SER 238 Cb 0.11 0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 1tye s SER 238 CO 0.66 -0.53 0.15 0.68 0.98 0.00 0.00 173.24 175.18 1tye s VAL 239 N -1.97 0.13 0.01 5.02 -7.23 -1.26 -1.29 120.40 113.82 1tye s VAL 239 Ca -0.09 -1.09 -0.28 0.00 -1.81 0.00 0.00 61.98 58.71 1tye s VAL 239 Cb -0.03 -1.07 0.10 0.00 0.56 0.00 0.00 36.38 35.94 1tye s VAL 239 CO 0.00 -0.60 0.87 0.00 -0.31 0.00 0.00 175.10 175.06 1tye s ALA 240 N -3.03 -1.80 0.21 1.32 0.00 -0.57 -4.80 121.76 113.09 1tye s ALA 240 Ca -0.01 0.94 0.09 0.00 0.00 0.00 0.00 51.96 52.97 1tye s ALA 240 Cb 0.01 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1tye s ALA 240 CO -0.06 -0.71 -0.17 0.14 0.00 0.00 0.00 175.76 174.96 1tye s VAL 241 N -3.18 1.93 0.00 0.00 -7.23 -1.26 0.15 120.40 110.81 1tye s VAL 241 Ca 0.05 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1tye s VAL 241 Cb -0.01 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.90 1tye s VAL 241 CO -0.09 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 174.86 1tye n GLY 242 N -0.19 1.14 3.20 2.32 0.00 -0.69 -4.81 105.19 106.15 1tye n GLY 242 Ca -0.09 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1tye n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tye s GLU 243 N -1.44 2.39 -0.02 1.61 -6.30 -1.26 -2.41 118.70 111.26 1tye s GLU 243 Ca 0.00 -1.41 0.03 0.00 -2.50 0.00 0.00 54.97 51.09 1tye s GLU 243 Cb 0.00 -3.43 0.05 0.00 0.00 0.00 0.00 34.13 30.75 1tye s GLU 243 CO 0.00 -0.79 0.88 1.19 0.02 0.00 0.00 175.26 176.56 1tye n PHE 244 N 4.70 0.00 -1.35 5.30 3.72 -1.26 -4.22 117.46 124.35 1tye n PHE 244 Ca -0.10 -0.38 0.02 0.00 -0.05 0.00 0.00 57.45 56.94 1tye n PHE 244 Cb 0.43 -0.05 0.03 0.00 -0.94 0.00 0.00 39.48 38.95 1tye n PHE 244 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1tye n ASP 245 N -0.46 0.70 0.00 4.37 5.68 -1.26 -4.99 116.55 120.59 1tye n ASP 245 Ca 0.03 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1tye n ASP 245 Cb 0.43 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1tye n ASP 245 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tye n GLY 246 N -0.35 0.92 3.60 6.12 0.00 -1.26 -4.92 105.19 109.30 1tye n GLY 246 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1tye n GLY 246 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tye s ASP 247 N 0.00 5.92 0.22 1.61 -1.08 -1.26 -4.87 116.67 117.22 1tye s ASP 247 Ca 0.00 1.27 0.24 0.00 -0.52 0.00 0.00 52.55 53.54 1tye s ASP 247 Cb 0.00 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.85 1tye s ASP 247 CO 0.00 -1.69 1.73 0.18 0.52 0.00 0.00 175.17 175.90 1tye n LEU 248 N 10.19 0.66 0.00 -1.34 4.77 -1.26 -2.67 117.00 127.34 1tye n LEU 248 Ca 0.22 0.62 0.12 0.00 -0.03 0.00 0.00 56.01 56.95 1tye n LEU 248 Cb 0.47 -0.49 0.59 0.00 -2.33 0.00 0.00 43.42 41.66 1tye n LEU 248 CO 0.69 -0.41 0.91 -3.20 -1.33 0.00 0.00 177.39 174.05 1tye n ASN 249 N -2.19 0.00 -4.24 -1.43 5.15 -1.26 -4.76 115.26 106.53 1tye n ASN 249 Ca 0.03 0.19 -0.26 0.00 -0.60 0.00 0.00 54.58 53.95 1tye n ASN 249 Cb 0.29 -0.39 -0.14 0.00 -0.53 0.00 0.00 39.78 39.01 1tye n ASN 249 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1tye s THR 250 N -2.77 1.64 0.12 -0.44 -4.23 -1.09 -5.15 115.64 103.72 1tye s THR 250 Ca 0.18 -1.13 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 1tye s THR 250 Cb 0.17 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 1tye s THR 250 CO 0.42 0.25 -0.04 -0.89 -0.54 0.00 0.00 174.62 173.82 1tye s THR 251 N -0.74 3.69 0.10 3.99 2.01 -1.26 -4.89 115.64 118.53 1tye s THR 251 Ca 0.07 -1.21 0.07 0.00 0.31 0.00 0.00 61.69 60.93 1tye s THR 251 Cb -0.09 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 1tye s THR 251 CO 0.01 0.06 -0.18 -1.83 -0.69 0.00 0.00 174.62 171.99 1tye s GLU 252 N -2.43 1.03 0.06 4.92 1.03 -1.01 -3.30 118.70 119.00 1tye s GLU 252 Ca 0.25 -1.12 0.02 0.00 0.03 0.00 0.00 54.97 54.14 1tye s GLU 252 Cb -0.11 -1.18 -0.04 0.00 -0.80 0.00 0.00 34.13 32.00 1tye s GLU 252 CO 0.17 0.27 0.13 0.71 -1.33 0.00 0.00 175.26 175.20 1tye s TYR 253 N -1.31 3.32 -0.20 4.83 2.02 0.15 -1.71 117.35 124.45 1tye s TYR 253 Ca 0.05 0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 1tye s TYR 253 Cb -0.09 -1.68 0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1tye s TYR 253 CO 0.04 0.55 -0.15 0.08 -1.57 0.00 0.00 175.55 174.50 1tye s VAL 254 N -1.41 1.95 -0.07 0.71 1.01 0.12 -1.01 120.40 121.69 1tye s VAL 254 Ca 0.31 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1tye s VAL 254 Cb -0.12 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1tye s VAL 254 CO 0.23 0.31 -0.18 -0.69 0.00 0.00 0.00 175.10 174.77 1tye s VAL 255 N 1.29 2.66 -0.23 2.92 1.01 -0.58 -1.50 120.40 125.97 1tye s VAL 255 Ca 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1tye s VAL 255 Cb -0.15 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1tye s VAL 255 CO -0.10 0.56 0.13 -0.83 0.00 0.00 0.00 175.10 174.87 1tye s GLY 256 N -0.21 1.95 -0.68 4.51 0.00 -0.41 -1.62 107.32 110.85 1tye s GLY 256 Ca -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 44.72 43.88 1tye s GLY 256 CO 0.03 0.34 0.59 0.00 0.00 0.00 0.00 173.10 174.06 1tye n ALA 257 N 4.19 3.67 0.06 3.20 0.00 0.22 -1.49 120.51 130.36 1tye n ALA 257 Ca -0.15 -4.62 0.21 0.00 0.00 0.00 0.00 53.44 48.88 1tye n ALA 257 Cb 0.52 -0.98 0.72 0.00 0.00 0.00 0.00 19.45 19.71 1tye n ALA 257 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1tye h PRO 258 N 4.92 0.00 -0.18 0.00 0.13 -1.65 -1.19 132.00 134.03 1tye h PRO 258 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1tye h PRO 258 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1tye h PRO 258 CO 0.76 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.78 1tye n THR 259 N -3.68 2.06 -1.83 1.56 -2.24 -1.14 -3.66 114.28 105.35 1tye n THR 259 Ca 0.09 -1.91 -0.40 0.00 -2.27 0.00 0.00 64.05 59.56 1tye n THR 259 Cb 0.70 -0.18 0.01 0.00 -2.10 0.00 0.00 70.33 68.76 1tye n THR 259 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1tye s TRP 260 N -2.68 2.50 -0.74 4.78 -0.00 -0.54 -2.19 118.94 120.08 1tye s TRP 260 Ca 0.37 1.28 -0.03 0.00 -0.00 0.00 0.00 56.10 57.73 1tye s TRP 260 Cb 0.30 -3.89 0.00 0.00 -0.00 0.00 0.00 33.47 29.89 1tye s TRP 260 CO 0.07 -2.83 0.66 0.45 -0.00 0.00 0.00 176.95 175.30 1tye n SER 261 N -0.17 -6.67 -3.79 5.86 2.88 0.13 -0.61 113.62 111.25 1tye n SER 261 Ca 0.05 -0.36 -0.34 0.00 -1.33 0.00 0.00 58.87 56.89 1tye n SER 261 Cb 0.42 -3.88 0.03 0.00 -0.75 0.00 0.00 64.21 60.03 1tye n SER 261 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1tye n TRP 262 N -1.93 -1.77 -1.48 0.66 8.01 -1.25 -2.03 117.44 117.64 1tye n TRP 262 Ca -0.11 0.41 -0.17 0.00 -1.31 0.00 0.00 57.50 56.32 1tye n TRP 262 Cb 0.57 -3.34 -0.07 0.00 -2.01 0.00 0.00 31.31 26.46 1tye n TRP 262 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1tye n THR 263 N -4.38 0.00 -0.04 -0.99 -2.24 -0.93 -4.86 114.28 100.84 1tye n THR 263 Ca -0.12 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1tye n THR 263 Cb 0.60 -1.79 -0.08 0.00 -2.10 0.00 0.00 70.33 66.96 1tye n THR 263 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1tye h LEU 264 N 0.00 0.24 0.00 3.22 6.46 -0.65 0.30 115.31 124.89 1tye h LEU 264 Ca -0.34 -0.50 0.00 0.00 -0.12 0.00 0.00 57.88 56.92 1tye h LEU 264 Cb 1.29 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1tye h LEU 264 CO 0.50 0.69 0.00 0.61 -0.62 0.00 0.00 178.44 179.62 1tye n GLY 265 N 0.25 1.99 3.59 3.75 0.00 0.22 -4.37 105.19 110.61 1tye n GLY 265 Ca -0.07 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 1tye n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tye s ALA 266 N -2.72 -1.89 -0.06 4.61 0.00 -0.70 -2.44 121.76 118.56 1tye s ALA 266 Ca 0.00 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 1tye s ALA 266 Cb 0.00 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.49 1tye s ALA 266 CO 0.00 -0.78 0.10 0.08 0.00 0.00 0.00 175.76 175.17 1tye s VAL 267 N -2.91 -0.16 0.10 0.00 1.01 -0.45 -0.61 120.40 117.37 1tye s VAL 267 Ca 0.08 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.46 1tye s VAL 267 Cb -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1tye s VAL 267 CO -0.05 0.15 0.05 -1.61 0.00 0.00 0.00 175.10 173.64 1tye s GLU 268 N 2.03 2.74 -0.18 2.72 2.02 -0.64 -1.01 118.70 126.37 1tye s GLU 268 Ca 0.02 -0.78 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 1tye s GLU 268 Cb -0.12 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1tye s GLU 268 CO -0.04 0.54 -0.12 0.42 0.02 0.00 0.00 175.26 176.08 1tye s ILE 269 N -1.41 2.80 0.05 -1.63 -1.09 -0.14 -1.52 121.20 118.26 1tye s ILE 269 Ca 0.28 -0.70 -0.05 0.00 -2.23 0.00 0.00 60.65 57.95 1tye s ILE 269 Cb -0.12 -2.22 -0.02 0.00 -1.58 0.00 0.00 42.46 38.53 1tye s ILE 269 CO 0.21 0.49 0.07 -1.48 -1.23 0.00 0.00 174.94 173.00 1tye s LEU 270 N 1.12 1.96 0.96 2.97 0.05 -0.18 -0.03 118.68 125.52 1tye s LEU 270 Ca 0.01 -0.70 -0.15 0.00 0.05 0.00 0.00 54.13 53.33 1tye s LEU 270 Cb -0.14 0.55 0.18 0.00 -2.05 0.00 0.00 46.19 44.72 1tye s LEU 270 CO -0.04 -0.58 1.23 1.51 -0.55 0.00 0.00 176.35 177.92 1tye s ASP 271 N -2.51 3.15 0.23 1.48 1.47 -1.06 0.32 116.67 119.74 1tye s ASP 271 Ca 0.00 0.56 0.15 0.00 1.18 0.00 0.00 52.55 54.44 1tye s ASP 271 Cb 0.03 -0.83 0.79 0.00 -0.34 0.00 0.00 42.92 42.57 1tye s ASP 271 CO -0.08 -2.74 1.43 -1.54 0.68 0.00 0.00 175.17 172.93 1tye n SER 272 N -3.82 0.38 -1.69 2.11 3.41 -1.21 -0.90 113.62 111.90 1tye n SER 272 Ca 0.12 0.66 0.09 0.00 -0.26 0.00 0.00 58.87 59.48 1tye n SER 272 Cb 0.60 -0.71 0.38 0.00 -0.26 0.00 0.00 64.21 64.22 1tye n SER 272 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1tye n TYR 273 N -2.01 1.69 -2.25 7.33 4.02 -1.26 -4.94 117.16 119.74 1tye n TYR 273 Ca -0.01 -0.66 -0.20 0.00 -0.01 0.00 0.00 57.90 57.03 1tye n TYR 273 Cb 0.05 -0.34 -0.02 0.00 -0.02 0.00 0.00 39.34 39.01 1tye n TYR 273 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1tye n TYR 274 N 0.93 -0.79 -3.19 -0.72 4.01 -0.08 -4.99 117.16 112.34 1tye n TYR 274 Ca 0.27 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.62 1tye n TYR 274 Cb 1.00 -3.74 -0.05 0.00 -0.31 0.00 0.00 39.34 36.24 1tye n TYR 274 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1tye s GLN 275 N -4.78 4.38 -0.03 -0.72 -0.21 -1.26 -4.89 119.66 112.16 1tye s GLN 275 Ca 0.00 0.66 -0.30 0.00 0.02 0.00 0.00 55.36 55.74 1tye s GLN 275 Cb 0.00 -3.44 -0.07 0.00 1.00 0.00 0.00 33.01 30.50 1tye s GLN 275 CO 0.00 0.13 1.92 1.03 -2.12 0.00 0.00 175.29 176.25 1tye s ARG 276 N 0.66 3.99 -0.23 2.91 0.52 -1.26 -2.56 118.95 122.98 1tye s ARG 276 Ca 0.31 2.40 -0.13 0.00 -0.52 0.00 0.00 55.73 57.79 1tye s ARG 276 Cb -0.16 -4.15 -0.17 0.00 0.52 0.00 0.00 34.95 30.99 1tye s ARG 276 CO 0.14 -1.11 -0.05 1.28 0.02 0.00 0.00 175.30 175.58 1tye n LEU 277 N 8.08 2.16 -3.63 2.53 4.32 0.96 -4.98 117.00 126.43 1tye n LEU 277 Ca 0.21 0.28 -0.15 0.00 -0.02 0.00 0.00 56.01 56.33 1tye n LEU 277 Cb 0.42 -0.92 -0.07 0.00 -1.62 0.00 0.00 43.42 41.22 1tye n LEU 277 CO 0.66 0.56 0.30 -2.28 -1.22 0.00 0.00 177.39 175.42 1tye s HIS 278 N -2.47 -0.58 -0.12 -1.77 2.46 -0.92 -4.99 115.29 106.90 1tye s HIS 278 Ca -0.33 1.23 0.02 0.00 0.47 0.00 0.00 55.06 56.45 1tye s HIS 278 Cb 0.10 0.27 0.01 0.00 -0.13 0.00 0.00 32.58 32.83 1tye s HIS 278 CO 0.58 -0.43 -0.17 0.50 -2.47 0.00 0.00 174.74 172.74 1tye s ARG 279 N -0.49 2.47 -0.35 2.88 3.52 -1.26 -0.97 118.95 124.75 1tye s ARG 279 Ca -0.06 -0.65 -0.12 0.00 -0.13 0.00 0.00 55.73 54.76 1tye s ARG 279 Cb -0.03 -2.06 -0.00 0.00 -1.56 0.00 0.00 34.95 31.30 1tye s ARG 279 CO 0.05 -0.05 0.22 -0.51 -0.81 0.00 0.00 175.30 174.21 1tye s LEU 280 N 0.93 4.53 0.51 -0.88 1.02 -0.18 -4.98 118.68 119.63 1tye s LEU 280 Ca -0.07 -0.57 -0.13 0.00 0.02 0.00 0.00 54.13 53.38 1tye s LEU 280 Cb -0.15 -2.10 -0.06 0.00 0.02 0.00 0.00 46.19 43.90 1tye s LEU 280 CO -0.02 -0.27 0.93 -0.13 0.02 0.00 0.00 176.35 176.88 1tye s ARG 281 N 1.67 3.81 0.69 1.70 0.52 -1.26 -1.34 118.95 124.74 1tye s ARG 281 Ca 0.05 0.74 -0.07 0.00 -0.52 0.00 0.00 55.73 55.93 1tye s ARG 281 Cb -0.18 -2.20 0.05 0.00 0.52 0.00 0.00 34.95 33.14 1tye s ARG 281 CO 0.09 -0.27 1.02 0.00 0.02 0.00 0.00 175.30 176.15 1tye s ALA 282 N -2.69 3.11 -0.51 2.13 0.00 -1.02 -4.93 121.76 117.86 1tye s ALA 282 Ca 0.55 -0.81 0.15 0.00 0.00 0.00 0.00 51.96 51.86 1tye s ALA 282 Cb -0.10 -2.67 -0.19 0.00 0.00 0.00 0.00 23.12 20.16 1tye s ALA 282 CO 0.37 -1.23 0.55 -0.85 0.00 0.00 0.00 175.76 174.60 1tye n GLU 283 N -2.91 1.54 -3.75 0.00 0.28 -1.26 -4.96 120.64 109.58 1tye n GLU 283 Ca 0.07 -0.04 -0.13 0.00 -0.16 0.00 0.00 57.16 56.90 1tye n GLU 283 Cb 0.60 -1.26 -0.13 0.00 1.43 0.00 0.00 31.44 32.08 1tye n GLU 283 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1tye s GLN 284 N -2.63 0.21 0.42 3.44 0.74 -1.26 -5.13 119.66 115.44 1tye s GLN 284 Ca 0.02 0.44 -0.26 0.00 0.05 0.00 0.00 55.36 55.61 1tye s GLN 284 Cb 0.11 -0.06 -0.09 0.00 1.10 0.00 0.00 33.01 34.07 1tye s GLN 284 CO 0.63 -0.12 1.42 -1.64 -0.55 0.00 0.00 175.29 175.03 1tye s MET 285 N 0.91 3.89 0.00 1.67 -1.94 -1.26 -2.34 119.30 120.23 1tye s MET 285 Ca -0.07 2.42 0.00 0.00 -1.71 0.00 0.00 55.69 56.33 1tye s MET 285 Cb -0.08 -2.79 0.00 0.00 2.01 0.00 0.00 34.83 33.97 1tye s MET 285 CO -0.06 -0.65 0.00 0.00 -0.01 0.00 0.00 175.02 174.30 1tye n ALA 286 N 0.10 0.00 0.27 3.03 0.00 0.09 -4.84 120.51 119.17 1tye n ALA 286 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.62 1tye n ALA 286 Cb 0.41 -0.46 0.73 0.00 0.00 0.00 0.00 19.45 20.13 1tye n ALA 286 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1tye h SER 287 N 0.00 0.00 -1.87 0.00 4.64 -1.67 -3.44 113.55 111.21 1tye h SER 287 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1tye h SER 287 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1tye h SER 287 CO 0.00 0.10 -0.11 -1.22 -0.87 0.00 0.00 176.83 174.72 1tye n TYR 288 N -3.38 -0.47 -1.84 4.77 4.02 -1.26 -0.63 117.16 118.38 1tye n TYR 288 Ca -0.01 0.17 -0.42 0.00 -0.01 0.00 0.00 57.90 57.63 1tye n TYR 288 Cb 0.27 -1.74 -0.03 0.00 -0.02 0.00 0.00 39.34 37.82 1tye n TYR 288 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1tye s PHE 289 N -3.05 2.73 0.00 -0.72 5.36 -1.26 -1.86 117.98 119.17 1tye s PHE 289 Ca 0.09 0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.43 1tye s PHE 289 Cb -0.04 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 1tye s PHE 289 CO 0.12 -4.01 0.00 0.41 -1.46 0.00 0.00 175.22 170.28 1tye n GLY 290 N 3.95 0.77 0.21 13.12 0.00 -1.03 -3.35 105.19 118.87 1tye n GLY 290 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1tye n GLY 290 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1tye h HIS 291 N 0.00 0.24 -3.66 1.61 6.17 -1.20 -3.37 115.15 114.95 1tye h HIS 291 Ca 0.00 -0.05 -0.25 0.00 0.71 0.00 0.00 60.37 60.78 1tye h HIS 291 Cb 0.00 -0.06 -0.30 0.00 2.52 0.00 0.00 27.41 29.57 1tye h HIS 291 CO 0.00 0.49 -0.72 -1.12 0.71 0.00 0.00 177.93 177.29 1tye s SER 292 N -6.88 0.02 -0.02 3.26 0.01 -1.24 -4.62 113.70 104.24 1tye s SER 292 Ca -0.05 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.23 1tye s SER 292 Cb 0.14 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.37 1tye s SER 292 CO 0.75 -0.04 -0.01 0.68 0.41 0.00 0.00 173.24 175.03 1tye s VAL 293 N 0.36 0.17 0.03 3.43 -7.23 -1.26 -0.66 120.40 115.24 1tye s VAL 293 Ca -0.03 -0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.17 1tye s VAL 293 Cb -0.04 -0.21 -0.02 0.00 0.56 0.00 0.00 36.38 36.67 1tye s VAL 293 CO -0.01 0.10 -0.09 0.00 -0.31 0.00 0.00 175.10 174.79 1tye s ALA 294 N 0.49 0.68 -0.04 1.32 0.00 -0.42 -4.80 121.76 118.99 1tye s ALA 294 Ca -0.05 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.32 1tye s ALA 294 Cb -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1tye s ALA 294 CO -0.01 0.06 -0.24 0.08 0.00 0.00 0.00 175.76 175.65 1tye s VAL 295 N -0.98 1.93 0.00 0.00 1.01 -1.26 -1.66 120.40 119.44 1tye s VAL 295 Ca -0.05 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1tye s VAL 295 Cb -0.08 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1tye s VAL 295 CO 0.01 0.54 0.00 1.07 0.00 0.00 0.00 175.10 176.72 1tye n THR 296 N 2.80 0.00 -3.00 3.92 5.66 -0.15 -4.86 114.28 118.65 1tye n THR 296 Ca -0.17 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.40 1tye n THR 296 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 1tye n THR 296 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1tye s ASP 297 N 0.00 6.23 -0.01 1.09 2.15 -1.26 -0.39 116.67 124.48 1tye s ASP 297 Ca 0.00 -0.89 0.07 0.00 0.43 0.00 0.00 52.55 52.17 1tye s ASP 297 Cb 0.00 -2.36 -0.24 0.00 -0.30 0.00 0.00 42.92 40.03 1tye s ASP 297 CO 0.00 -1.14 0.81 -0.37 -0.17 0.00 0.00 175.17 174.30 1tye h VAL 298 N 5.94 1.07 -0.43 1.11 -1.51 -1.83 -3.34 116.25 117.25 1tye h VAL 298 Ca -0.28 -2.85 0.00 0.00 -1.23 0.00 0.00 66.70 62.34 1tye h VAL 298 Cb 1.08 2.57 0.00 0.00 -2.13 0.00 0.00 31.29 32.81 1tye h VAL 298 CO 1.07 0.67 0.00 -0.46 -1.23 0.00 0.00 177.57 177.62 1tye n ASN 299 N -3.21 2.37 0.00 4.19 6.94 -1.26 -2.97 115.26 121.32 1tye n ASN 299 Ca -0.14 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 1tye n ASN 299 Cb 1.03 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 38.15 1tye n ASN 299 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1tye n GLY 300 N 1.17 0.14 0.00 4.83 0.00 -1.26 -4.62 105.19 105.45 1tye n GLY 300 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1tye n GLY 300 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tye n ASP 301 N -0.58 0.00 0.00 1.61 5.75 -1.26 -4.88 116.55 117.19 1tye n ASP 301 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1tye n ASP 301 Cb 0.29 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1tye n ASP 301 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tye n GLY 302 N 0.76 2.50 3.80 6.12 0.00 -1.26 -5.03 105.19 112.09 1tye n GLY 302 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1tye n GLY 302 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tye s ARG 303 N -0.47 4.31 0.24 1.61 1.81 -1.26 -5.02 118.95 120.17 1tye s ARG 303 Ca 0.00 0.87 -0.30 0.00 -1.72 0.00 0.00 55.73 54.58 1tye s ARG 303 Cb 0.00 -3.21 -0.09 0.00 -0.45 0.00 0.00 34.95 31.20 1tye s ARG 303 CO 0.00 0.60 1.29 -1.01 -0.68 0.00 0.00 175.30 175.50 1tye s HIS 304 N -1.16 3.23 0.20 -0.53 3.76 -1.26 -4.37 115.29 115.15 1tye s HIS 304 Ca 0.32 1.30 0.09 0.00 -0.15 0.00 0.00 55.06 56.62 1tye s HIS 304 Cb -0.20 -3.60 -0.04 0.00 1.11 0.00 0.00 32.58 29.84 1tye s HIS 304 CO 0.21 -1.78 -0.07 -0.51 -0.85 0.00 0.00 174.74 171.74 1tye s ASP 305 N 0.03 4.36 0.00 1.40 1.01 0.47 -4.11 116.67 119.83 1tye s ASP 305 Ca 0.54 -0.58 0.03 0.00 0.71 0.00 0.00 52.55 53.25 1tye s ASP 305 Cb -0.37 -0.77 -0.03 0.00 1.01 0.00 0.00 42.92 42.75 1tye s ASP 305 CO 0.42 0.08 -0.04 -0.22 0.21 0.00 0.00 175.17 175.62 1tye s LEU 306 N -3.01 3.30 -0.07 1.23 2.96 -0.05 -0.97 118.68 122.07 1tye s LEU 306 Ca 0.27 -0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1tye s LEU 306 Cb -0.08 -1.89 0.03 0.00 0.50 0.00 0.00 46.19 44.74 1tye s LEU 306 CO 0.16 0.28 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.69 1tye s LEU 307 N -1.48 0.94 -0.03 -0.68 1.43 -0.66 -0.34 118.68 117.85 1tye s LEU 307 Ca 0.18 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 1tye s LEU 307 Cb -0.11 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 1tye s LEU 307 CO 0.09 -0.13 -0.24 -0.69 0.23 0.00 0.00 176.35 175.61 1tye s VAL 308 N 1.54 2.24 -0.11 -1.59 1.01 -0.41 -1.31 120.40 121.78 1tye s VAL 308 Ca -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1tye s VAL 308 Cb -0.13 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1tye s VAL 308 CO -0.04 0.58 -0.06 -0.83 0.00 0.00 0.00 175.10 174.76 1tye s GLY 309 N -0.55 1.70 -0.55 4.51 0.00 0.16 -0.82 107.32 111.77 1tye s GLY 309 Ca 0.08 -0.85 0.06 0.00 0.00 0.00 0.00 44.72 44.01 1tye s GLY 309 CO 0.00 -0.37 0.58 0.00 0.00 0.00 0.00 173.10 173.31 1tye n ALA 310 N 2.87 3.33 0.26 3.20 0.00 0.25 -2.46 120.51 127.96 1tye n ALA 310 Ca -0.18 -4.12 0.16 0.00 0.00 0.00 0.00 53.44 49.30 1tye n ALA 310 Cb 0.53 -0.88 0.73 0.00 0.00 0.00 0.00 19.45 19.83 1tye n ALA 310 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1tye h PRO 311 N 4.56 0.00 -0.41 0.00 0.13 -1.64 -1.74 132.00 132.89 1tye h PRO 311 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1tye h PRO 311 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1tye h PRO 311 CO 0.65 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 1tye n LEU 312 N -3.09 4.65 -4.70 1.56 4.32 0.20 -3.57 117.00 116.38 1tye n LEU 312 Ca 0.01 -2.92 -0.42 0.00 -0.02 0.00 0.00 56.01 52.66 1tye n LEU 312 Cb 0.52 -0.59 -0.03 0.00 -1.62 0.00 0.00 43.42 41.70 1tye n LEU 312 CO 0.16 0.67 1.18 -0.47 -1.22 0.00 0.00 177.39 177.71 1tye s TYR 313 N -2.68 2.81 -0.21 -1.77 5.04 -0.70 -4.39 117.35 115.44 1tye s TYR 313 Ca 0.47 0.68 -0.19 0.00 -2.44 0.00 0.00 57.07 55.59 1tye s TYR 313 Cb 0.36 -3.78 -0.03 0.00 0.35 0.00 0.00 41.96 38.87 1tye s TYR 313 CO 0.13 -2.93 0.56 -1.64 -1.34 0.00 0.00 175.55 170.33 1tye s MET 314 N 2.15 4.17 0.27 4.97 -1.94 -1.26 -1.74 119.30 125.92 1tye s MET 314 Ca 0.67 0.47 -0.14 0.00 -1.71 0.00 0.00 55.69 54.98 1tye s MET 314 Cb -0.36 -3.59 -0.08 0.00 2.01 0.00 0.00 34.83 32.81 1tye s MET 314 CO 0.29 -0.23 0.67 -2.00 -0.01 0.00 0.00 175.02 173.73 1tye s GLU 315 N 1.91 3.98 -0.92 2.03 2.12 0.14 -4.73 118.70 123.23 1tye s GLU 315 Ca 0.25 0.57 -0.22 0.00 0.36 0.00 0.00 54.97 55.94 1tye s GLU 315 Cb -0.16 -2.60 0.08 0.00 0.26 0.00 0.00 34.13 31.71 1tye s GLU 315 CO 0.10 0.27 1.26 -1.12 -0.54 0.00 0.00 175.26 175.22 1tye s SER 316 N -2.15 6.49 0.69 -1.70 0.01 -1.26 -0.56 113.70 115.22 1tye s SER 316 Ca 0.49 -1.55 -0.11 0.00 1.31 0.00 0.00 55.95 56.09 1tye s SER 316 Cb -0.12 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.63 1tye s SER 316 CO 0.19 -1.36 1.08 -0.13 0.41 0.00 0.00 173.24 173.43 1tye s ARG 317 N 4.07 2.95 0.55 12.44 3.00 -0.90 -5.02 118.95 136.04 1tye s ARG 317 Ca 0.38 0.48 -0.20 0.00 0.00 0.00 0.00 55.73 56.39 1tye s ARG 317 Cb -0.04 -2.03 -0.05 0.00 0.00 0.00 0.00 34.95 32.82 1tye s ARG 317 CO -0.06 -0.97 1.22 0.00 0.00 0.00 0.00 175.30 175.49 1tye s ALA 318 N -3.33 2.71 0.00 2.13 0.00 -1.26 -3.77 121.76 118.24 1tye s ALA 318 Ca 0.58 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1tye s ALA 318 Cb -0.11 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1tye s ALA 318 CO 0.52 -1.05 0.00 -3.47 0.00 0.00 0.00 175.76 171.76 1tye n ASP 319 N -1.20 -1.05 -1.67 0.00 2.03 -1.26 -4.25 116.55 109.15 1tye n ASP 319 Ca 0.11 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.24 1tye n ASP 319 Cb 0.48 -0.37 -0.05 0.00 -0.72 0.00 0.00 41.12 40.46 1tye n ASP 319 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1tye n ARG 320 N -0.75 -1.36 -4.18 -0.67 5.12 -1.26 -5.01 116.66 108.57 1tye n ARG 320 Ca 0.00 1.06 -0.23 0.00 -1.93 0.00 0.00 57.85 56.75 1tye n ARG 320 Cb 0.37 -5.43 -0.07 0.00 -1.16 0.00 0.00 32.46 26.17 1tye n ARG 320 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1tye s LYS 321 N -4.06 2.30 0.17 5.56 -2.85 -1.25 -5.06 119.74 114.55 1tye s LYS 321 Ca 0.00 -1.57 0.09 0.00 -1.00 0.00 0.00 55.97 53.48 1tye s LYS 321 Cb 0.00 -2.12 -0.04 0.00 -2.06 0.00 0.00 37.83 33.61 1tye s LYS 321 CO 0.00 0.15 -0.19 -0.51 0.10 0.00 0.00 175.35 174.90 1tye s LEU 322 N -3.79 2.43 -0.07 2.77 1.43 -1.26 -2.11 118.68 118.07 1tye s LEU 322 Ca 0.36 -0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1tye s LEU 322 Cb -0.02 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.36 1tye s LEU 322 CO 0.22 -0.01 0.15 0.00 0.23 0.00 0.00 176.35 176.94 1tye s ALA 323 N -1.95 -0.18 -0.25 4.21 0.00 0.28 -4.90 121.76 118.97 1tye s ALA 323 Ca 0.16 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 1tye s ALA 323 Cb -0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1tye s ALA 323 CO 0.07 -0.40 1.56 -2.00 0.00 0.00 0.00 175.76 174.99 1tye s GLU 324 N 1.84 3.77 0.00 0.00 2.12 -1.26 0.27 118.70 125.45 1tye s GLU 324 Ca -0.02 1.52 0.00 0.00 0.36 0.00 0.00 54.97 56.84 1tye s GLU 324 Cb -0.12 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.25 1tye s GLU 324 CO -0.06 -1.32 0.00 1.33 -0.54 0.00 0.00 175.26 174.68 1tye n VAL 325 N 6.48 0.00 0.00 3.70 0.24 -0.71 0.23 118.33 128.28 1tye n VAL 325 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 1tye n VAL 325 Cb 0.46 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1tye n VAL 325 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tye n GLY 326 N 0.99 2.09 3.41 7.63 0.00 -0.91 -2.34 105.19 116.08 1tye n GLY 326 Ca 0.00 -1.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.01 1tye n GLY 326 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tye s ARG 327 N -3.23 0.88 -0.05 1.61 3.52 -0.94 -1.22 118.95 119.53 1tye s ARG 327 Ca 0.00 0.14 0.06 0.00 -0.13 0.00 0.00 55.73 55.79 1tye s ARG 327 Cb 0.00 0.41 -0.01 0.00 -1.56 0.00 0.00 34.95 33.79 1tye s ARG 327 CO 0.00 -0.26 -0.22 0.08 -0.81 0.00 0.00 175.30 174.09 1tye s VAL 328 N -1.12 1.81 0.02 7.11 1.01 0.14 -0.58 120.40 128.79 1tye s VAL 328 Ca -0.11 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1tye s VAL 328 Cb -0.02 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1tye s VAL 328 CO 0.07 0.51 -0.09 -0.31 0.00 0.00 0.00 175.10 175.28 1tye s TYR 329 N -0.18 2.81 -0.17 5.22 1.51 -0.00 -1.98 117.35 124.56 1tye s TYR 329 Ca -0.01 -0.09 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 1tye s TYR 329 Cb -0.12 -1.57 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 1tye s TYR 329 CO 0.02 0.35 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.51 1tye s LEU 330 N -1.46 1.87 -0.25 -1.29 2.96 -1.10 -1.29 118.68 118.13 1tye s LEU 330 Ca 0.17 -0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 1tye s LEU 330 Cb -0.11 -1.18 -0.00 0.00 0.50 0.00 0.00 46.19 45.39 1tye s LEU 330 CO 0.07 -0.09 0.00 -0.36 -1.32 0.00 0.00 176.35 174.66 1tye s PHE 331 N 1.46 3.05 0.14 5.38 0.40 0.54 0.08 117.98 129.03 1tye s PHE 331 Ca 0.03 -0.97 -0.17 0.00 -0.60 0.00 0.00 56.93 55.22 1tye s PHE 331 Cb -0.14 -2.16 -0.07 0.00 0.51 0.00 0.00 43.02 41.16 1tye s PHE 331 CO -0.10 -0.56 0.59 -0.51 0.70 0.00 0.00 175.22 175.34 1tye s LEU 332 N 1.48 4.40 -0.15 -0.37 1.43 -1.26 -0.87 118.68 123.34 1tye s LEU 332 Ca 0.04 1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 1tye s LEU 332 Cb -0.16 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 1tye s LEU 332 CO -0.01 0.14 0.24 -1.58 0.23 0.00 0.00 176.35 175.38 1tye s GLN 333 N -1.69 4.11 0.00 1.70 0.74 -1.26 -4.72 119.66 118.53 1tye s GLN 333 Ca 0.36 0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.78 1tye s GLN 333 Cb -0.17 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.56 1tye s GLN 333 CO 0.19 0.36 0.00 -2.30 -0.55 0.00 0.00 175.29 172.99 1tye n PRO 334 N 3.22 1.28 0.00 1.67 -0.02 -1.26 -4.87 135.00 135.02 1tye n PRO 334 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1tye n PRO 334 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1tye n PRO 334 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1tye n ARG 335 N 0.00 0.00 0.00 -0.52 5.12 -1.26 -4.87 116.66 115.13 1tye n ARG 335 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1tye n ARG 335 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1tye n ARG 335 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tye n GLY 336 N 4.33 0.00 1.34 -0.13 0.00 -1.26 -2.04 105.19 107.43 1tye n GLY 336 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1tye n GLY 336 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tye n PRO 337 N 0.00 1.15 -1.28 1.61 -0.02 -1.26 -4.97 135.00 130.23 1tye n PRO 337 Ca 0.00 -0.33 -0.44 0.00 -2.02 0.00 0.00 63.50 60.71 1tye n PRO 337 Cb 0.00 -1.13 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 1tye n PRO 337 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1tye n HIS 338 N 0.75 -0.36 0.00 6.00 1.44 -0.87 -4.96 115.22 117.23 1tye n HIS 338 Ca 0.06 0.89 0.00 0.00 -2.01 0.00 0.00 57.72 56.66 1tye n HIS 338 Cb 0.57 -1.79 0.00 0.00 0.12 0.00 0.00 29.99 28.90 1tye n HIS 338 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tye n ALA 339 N 0.12 0.00 -1.48 1.59 0.00 -1.26 -5.02 120.51 114.45 1tye n ALA 339 Ca 0.16 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 53.07 1tye n ALA 339 Cb 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 1tye n ALA 339 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1tye n LEU 340 N 0.00 -0.13 0.00 0.00 4.32 -1.26 -4.95 117.00 114.97 1tye n LEU 340 Ca 0.00 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 57.14 1tye n LEU 340 Cb 0.00 -0.98 0.00 0.00 -1.62 0.00 0.00 43.42 40.82 1tye n LEU 340 CO 0.00 -2.13 0.00 0.61 -1.22 0.00 0.00 177.39 174.65 1tye n GLY 341 N 1.75 1.29 3.85 -0.72 0.00 -1.26 -5.05 105.19 105.06 1tye n GLY 341 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1tye n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tye s ALA 342 N -2.45 3.12 0.74 4.61 0.00 -1.26 -5.01 121.76 121.51 1tye s ALA 342 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.86 1tye s ALA 342 Cb 0.00 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 1tye s ALA 342 CO 0.00 -0.30 0.58 -0.35 0.00 0.00 0.00 175.76 175.69 1tye n PRO 343 N -1.81 0.28 0.00 0.00 -0.04 -1.26 -4.82 135.00 127.35 1tye n PRO 343 Ca 0.06 0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.74 1tye n PRO 343 Cb 0.54 -1.89 0.01 0.00 -0.04 0.00 0.00 33.50 32.12 1tye n PRO 343 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1tye n SER 344 N -0.57 1.72 -3.64 3.54 7.64 0.11 -4.99 113.62 117.43 1tye n SER 344 Ca 0.10 -1.36 -0.06 0.00 1.01 0.00 0.00 58.87 58.56 1tye n SER 344 Cb 0.50 0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 64.04 1tye n SER 344 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1tye s LEU 345 N -1.94 -0.23 -0.38 -3.43 2.96 -1.24 -5.00 118.68 109.43 1tye s LEU 345 Ca 0.14 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 1tye s LEU 345 Cb 0.13 1.47 0.11 0.00 0.50 0.00 0.00 46.19 48.39 1tye s LEU 345 CO 0.38 -0.09 0.11 -0.76 -1.32 0.00 0.00 176.35 174.66 1tye s LEU 346 N -0.05 4.14 -0.23 -0.68 1.02 -1.26 -2.71 118.68 118.90 1tye s LEU 346 Ca 0.05 -2.27 -0.26 0.00 0.02 0.00 0.00 54.13 51.67 1tye s LEU 346 Cb -0.04 -1.47 -0.00 0.00 0.02 0.00 0.00 46.19 44.70 1tye s LEU 346 CO -0.10 -0.35 0.89 -0.76 0.02 0.00 0.00 176.35 176.05 1tye s LEU 347 N 0.75 4.10 0.05 1.79 1.43 -0.84 -4.93 118.68 121.03 1tye s LEU 347 Ca 0.12 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 54.46 1tye s LEU 347 Cb -0.20 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 1tye s LEU 347 CO -0.09 -0.55 -0.22 0.28 0.23 0.00 0.00 176.35 176.00 1tye s THR 348 N 2.86 1.80 1.06 5.49 -1.32 -1.26 0.28 115.64 124.55 1tye s THR 348 Ca 0.38 -1.29 -0.12 0.00 -1.21 0.00 0.00 61.69 59.45 1tye s THR 348 Cb -0.15 -1.56 0.22 0.00 -1.51 0.00 0.00 72.50 69.50 1tye s THR 348 CO 0.08 0.22 1.06 -0.83 -2.21 0.00 0.00 174.62 172.94 1tye s GLY 349 N -1.27 1.57 -0.03 6.08 0.00 -0.36 -4.99 107.32 108.31 1tye s GLY 349 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 44.72 44.69 1tye s GLY 349 CO 0.02 0.53 -0.04 -1.30 0.00 0.00 0.00 173.10 172.31 1tye n THR 350 N -4.52 0.19 -2.53 0.90 -2.24 -1.26 -4.84 114.28 99.98 1tye n THR 350 Ca 0.05 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1tye n THR 350 Cb 0.55 -1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 67.52 1tye n THR 350 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1tye s GLN 351 N -2.06 4.63 0.22 -0.78 2.00 -1.26 -4.98 119.66 117.42 1tye s GLN 351 Ca -0.05 1.72 -0.30 0.00 -2.00 0.00 0.00 55.36 54.73 1tye s GLN 351 Cb 0.02 -3.25 -0.10 0.00 0.80 0.00 0.00 33.01 30.48 1tye s GLN 351 CO 0.07 0.16 1.44 -1.17 -0.50 0.00 0.00 175.29 175.28 1tye s LEU 352 N -0.75 4.39 -1.62 3.68 2.96 -1.26 -2.30 118.68 123.77 1tye s LEU 352 Ca 0.47 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 1tye s LEU 352 Cb -0.30 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.78 1tye s LEU 352 CO 0.36 -0.69 0.00 -1.22 -1.32 0.00 0.00 176.35 173.48 1tye n TYR 353 N 2.79 -0.04 0.21 5.38 4.01 0.14 -4.90 117.16 124.73 1tye n TYR 353 Ca 0.08 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.91 1tye n TYR 353 Cb 0.41 -2.73 0.42 0.00 -0.31 0.00 0.00 39.34 37.12 1tye n TYR 353 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1tye h GLY 354 N 0.00 0.00 -5.49 2.72 0.00 -1.63 -3.42 103.07 95.25 1tye h GLY 354 Ca -0.32 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.66 1tye h GLY 354 CO 0.46 0.00 -0.67 0.54 0.00 0.00 0.00 176.54 176.87 1tye n ARG 355 N -3.45 -6.97 -2.01 4.80 1.74 -1.24 -2.14 116.66 107.40 1tye n ARG 355 Ca -0.00 0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 57.44 1tye n ARG 355 Cb 0.45 -5.67 -0.03 0.00 -1.02 0.00 0.00 32.46 26.20 1tye n ARG 355 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1tye s PHE 356 N -3.32 2.83 0.00 -1.55 5.36 -0.99 -2.50 117.98 117.82 1tye s PHE 356 Ca 0.32 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 56.88 1tye s PHE 356 Cb -0.14 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.67 1tye s PHE 356 CO 0.68 -3.29 0.00 0.41 -1.46 0.00 0.00 175.22 171.56 1tye n GLY 357 N 3.79 1.02 0.06 13.12 0.00 -0.36 -2.45 105.19 120.36 1tye n GLY 357 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1tye n GLY 357 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1tye n SER 358 N 0.00 0.39 -3.63 1.61 2.88 -1.04 -3.97 113.62 109.86 1tye n SER 358 Ca 0.00 0.55 -0.03 0.00 -1.33 0.00 0.00 58.87 58.06 1tye n SER 358 Cb 0.00 -0.65 -0.06 0.00 -0.75 0.00 0.00 64.21 62.75 1tye n SER 358 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tye s ALA 359 N -3.08 -2.20 -0.17 -1.46 0.00 -1.26 -4.80 121.76 108.78 1tye s ALA 359 Ca 0.10 2.26 -0.00 0.00 0.00 0.00 0.00 51.96 54.32 1tye s ALA 359 Cb 0.14 -1.66 0.04 0.00 0.00 0.00 0.00 23.12 21.64 1tye s ALA 359 CO 0.49 -0.41 -0.06 0.42 0.00 0.00 0.00 175.76 176.21 1tye s ILE 360 N 1.52 1.21 -0.27 0.00 1.01 -1.26 -1.67 121.20 121.75 1tye s ILE 360 Ca -0.09 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 1tye s ILE 360 Cb -0.04 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 41.08 1tye s ILE 360 CO -0.16 0.12 -0.03 0.00 0.00 0.00 0.00 174.94 174.87 1tye s ALA 361 N 1.59 2.76 0.08 9.38 0.00 -0.73 -4.64 121.76 130.20 1tye s ALA 361 Ca 0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 51.96 50.11 1tye s ALA 361 Cb -0.16 -1.79 -0.08 0.00 0.00 0.00 0.00 23.12 21.09 1tye s ALA 361 CO -0.08 -0.94 1.59 -1.25 0.00 0.00 0.00 175.76 175.08 1tye s PRO 362 N 1.32 4.22 0.62 0.00 0.04 -1.26 -1.82 135.00 138.11 1tye s PRO 362 Ca -0.01 2.27 0.01 0.00 0.04 0.00 0.00 61.00 63.31 1tye s PRO 362 Cb -0.17 -3.49 0.07 0.00 0.04 0.00 0.00 34.50 30.94 1tye s PRO 362 CO -0.03 -0.67 0.86 -0.51 0.04 0.00 0.00 177.00 176.69 1tye s LEU 363 N 2.24 3.14 0.00 -3.56 1.43 -0.05 -3.87 118.68 118.01 1tye s LEU 363 Ca 0.71 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1tye s LEU 363 Cb -0.39 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.31 1tye s LEU 363 CO 0.31 -1.43 0.00 0.61 0.23 0.00 0.00 176.35 176.08 1tye n GLY 364 N -2.54 1.02 2.53 -3.19 0.00 -1.26 -4.13 105.19 97.62 1tye n GLY 364 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1tye n GLY 364 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tye s ASP 365 N -1.22 3.44 0.03 1.61 -1.08 -1.26 -1.57 116.67 116.62 1tye s ASP 365 Ca 0.00 -1.52 -0.25 0.00 -0.52 0.00 0.00 52.55 50.26 1tye s ASP 365 Cb 0.00 -0.39 -0.18 0.00 -1.46 0.00 0.00 42.92 40.89 1tye s ASP 365 CO 0.00 -0.41 1.46 -0.07 0.52 0.00 0.00 175.17 176.67 1tye h LEU 366 N 8.07 -0.09 -0.82 -1.34 3.38 -1.93 -3.25 115.31 119.34 1tye h LEU 366 Ca -0.14 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1tye h LEU 366 Cb 1.00 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1tye h LEU 366 CO 0.40 0.18 0.00 -0.90 0.09 0.00 0.00 178.44 178.21 1tye n ASP 367 N -5.02 1.24 -1.30 -0.43 5.75 -1.26 -1.07 116.55 114.46 1tye n ASP 367 Ca -0.08 -1.61 -0.13 0.00 -0.01 0.00 0.00 54.79 52.96 1tye n ASP 367 Cb 0.17 -0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 40.14 1tye n ASP 367 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1tye n ARG 368 N 0.03 -1.37 0.00 0.11 5.12 -1.23 -4.74 116.66 114.59 1tye n ARG 368 Ca 0.16 0.80 0.09 0.00 -1.93 0.00 0.00 57.85 56.97 1tye n ARG 368 Cb 0.27 -5.03 0.53 0.00 -1.16 0.00 0.00 32.46 27.07 1tye n ARG 368 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1tye n ASP 369 N -0.54 0.00 0.00 0.55 5.75 -1.26 -4.84 116.55 116.20 1tye n ASP 369 Ca -0.13 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 1tye n ASP 369 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1tye n ASP 369 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tye n GLY 370 N 0.56 0.72 2.99 6.12 0.00 -1.26 -5.04 105.19 109.27 1tye n GLY 370 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1tye n GLY 370 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tye s TYR 371 N -2.17 2.04 0.41 1.61 2.02 -1.26 -4.62 117.35 115.38 1tye s TYR 371 Ca 0.00 -1.14 -0.26 0.00 -0.37 0.00 0.00 57.07 55.30 1tye s TYR 371 Cb 0.00 -1.52 -0.09 0.00 -0.40 0.00 0.00 41.96 39.95 1tye s TYR 371 CO 0.00 -0.64 1.34 -0.80 -1.57 0.00 0.00 175.55 173.88 1tye s ASN 372 N 1.53 6.22 0.38 2.29 0.02 -1.25 -4.18 114.94 119.95 1tye s ASN 372 Ca 0.05 2.74 0.08 0.00 -1.02 0.00 0.00 52.86 54.71 1tye s ASN 372 Cb -0.13 -2.64 -0.04 0.00 0.02 0.00 0.00 41.25 38.46 1tye s ASN 372 CO -0.10 -0.92 0.23 -1.81 0.02 0.00 0.00 177.10 174.51 1tye s ASP 373 N -0.64 4.76 0.09 -1.22 1.01 -0.61 -2.78 116.67 117.29 1tye s ASP 373 Ca 0.57 -0.82 -0.01 0.00 0.71 0.00 0.00 52.55 53.00 1tye s ASP 373 Cb -0.40 -0.64 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 1tye s ASP 373 CO 0.52 -0.46 0.02 0.27 0.21 0.00 0.00 175.17 175.73 1tye s ILE 374 N -2.47 0.16 -0.00 0.77 -4.36 -0.75 -0.88 121.20 113.67 1tye s ILE 374 Ca 0.42 -1.86 0.06 0.00 -0.26 0.00 0.00 60.65 59.00 1tye s ILE 374 Cb -0.01 -1.80 -0.02 0.00 1.25 0.00 0.00 42.46 41.88 1tye s ILE 374 CO 0.24 -0.71 -0.18 0.00 0.24 0.00 0.00 174.94 174.54 1tye s ALA 375 N -3.99 1.47 -0.04 2.27 0.00 -0.76 -0.99 121.76 119.73 1tye s ALA 375 Ca 0.16 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.37 1tye s ALA 375 Cb 0.08 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 1tye s ALA 375 CO -0.04 0.35 -0.17 0.08 0.00 0.00 0.00 175.76 175.99 1tye s VAL 376 N -0.49 1.39 0.24 0.00 1.01 -0.35 -1.78 120.40 120.42 1tye s VAL 376 Ca 0.06 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1tye s VAL 376 Cb -0.07 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1tye s VAL 376 CO -0.00 0.40 0.36 0.00 0.00 0.00 0.00 175.10 175.86 1tye s ALA 377 N 0.03 3.93 -0.47 5.51 0.00 -0.67 -0.21 121.76 129.88 1tye s ALA 377 Ca -0.03 -1.21 0.06 0.00 0.00 0.00 0.00 51.96 50.78 1tye s ALA 377 Cb -0.11 -1.74 0.22 0.00 0.00 0.00 0.00 23.12 21.49 1tye s ALA 377 CO 0.02 0.26 0.71 0.00 0.00 0.00 0.00 175.76 176.75 1tye n ALA 378 N -1.36 -0.32 -0.24 0.00 0.00 -0.91 -1.23 120.51 116.46 1tye n ALA 378 Ca -0.09 -1.87 0.30 0.00 0.00 0.00 0.00 53.44 51.79 1tye n ALA 378 Cb 0.57 -1.21 0.54 0.00 0.00 0.00 0.00 19.45 19.34 1tye n ALA 378 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1tye h PRO 379 N 4.46 0.00 0.00 0.00 0.11 -1.61 0.39 132.00 135.35 1tye h PRO 379 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1tye h PRO 379 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1tye h PRO 379 CO 0.27 0.00 -0.04 0.66 -0.21 0.00 0.00 178.00 178.68 1tye n TYR 380 N -3.43 0.00 -1.24 0.65 4.01 -0.91 -3.29 117.16 112.96 1tye n TYR 380 Ca 0.24 -0.68 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 1tye n TYR 380 Cb 1.46 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 40.39 1tye n TYR 380 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tye n GLY 381 N -0.90 -0.53 0.00 2.72 0.00 0.13 -4.28 105.19 102.33 1tye n GLY 381 Ca 0.08 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1tye n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tye n GLY 382 N 5.00 -1.38 0.17 -0.02 0.00 -1.26 -0.22 105.19 107.48 1tye n GLY 382 Ca 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 1tye n GLY 382 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tye h PRO 383 N 0.00 0.02 0.00 1.61 0.11 -1.95 0.89 132.00 132.67 1tye h PRO 383 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1tye h PRO 383 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1tye h PRO 383 CO 0.00 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 176.67 1tye n SER 384 N -5.28 0.00 -0.58 -2.05 3.41 -1.26 -4.88 113.62 102.98 1tye n SER 384 Ca 0.02 -0.59 -0.08 0.00 -0.26 0.00 0.00 58.87 57.97 1tye n SER 384 Cb 0.22 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1tye n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tye n GLY 385 N 0.96 0.90 0.21 5.00 0.00 0.30 -4.88 105.19 107.68 1tye n GLY 385 Ca 0.19 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 46.07 1tye n GLY 385 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tye n ARG 386 N -1.90 1.29 0.00 1.61 1.74 -1.00 -4.14 116.66 114.26 1tye n ARG 386 Ca -0.08 -0.42 0.00 0.00 -0.77 0.00 0.00 57.85 56.58 1tye n ARG 386 Cb 0.36 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 1tye n ARG 386 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tye n GLY 387 N 1.07 2.24 3.57 -0.13 0.00 0.69 -4.49 105.19 108.14 1tye n GLY 387 Ca 0.21 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1tye n GLY 387 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tye s GLN 388 N -3.88 0.74 -0.10 1.61 -2.07 -0.96 -1.81 119.66 113.19 1tye s GLN 388 Ca 0.00 0.32 -0.03 0.00 -1.82 0.00 0.00 55.36 53.83 1tye s GLN 388 Cb 0.00 0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 32.24 1tye s GLN 388 CO 0.00 -0.20 0.01 0.08 -1.32 0.00 0.00 175.29 173.85 1tye s VAL 389 N -0.80 4.34 -0.18 3.63 1.01 -0.16 -2.13 120.40 126.10 1tye s VAL 389 Ca -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1tye s VAL 389 Cb -0.01 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1tye s VAL 389 CO 0.03 0.58 -0.18 -0.76 0.00 0.00 0.00 175.10 174.77 1tye s LEU 390 N -0.67 2.22 -0.02 3.92 1.02 0.71 -0.23 118.68 125.62 1tye s LEU 390 Ca 0.11 -0.62 -0.24 0.00 0.02 0.00 0.00 54.13 53.40 1tye s LEU 390 Cb -0.12 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.54 1tye s LEU 390 CO 0.02 0.00 0.73 -0.69 0.02 0.00 0.00 176.35 176.44 1tye s VAL 391 N 1.28 4.91 -0.13 -1.59 1.01 -1.11 -1.21 120.40 123.56 1tye s VAL 391 Ca 0.04 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.57 1tye s VAL 391 Cb -0.13 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1tye s VAL 391 CO -0.11 0.30 -0.17 -0.36 0.00 0.00 0.00 175.10 174.77 1tye s PHE 392 N 0.40 2.19 0.42 5.22 0.40 -0.16 -1.67 117.98 124.79 1tye s PHE 392 Ca 0.38 -1.10 -0.17 0.00 -0.60 0.00 0.00 56.93 55.44 1tye s PHE 392 Cb -0.19 -1.56 -0.09 0.00 0.51 0.00 0.00 43.02 41.69 1tye s PHE 392 CO 0.20 -0.56 0.88 -0.51 0.70 0.00 0.00 175.22 175.93 1tye s LEU 393 N 1.07 3.88 0.72 -0.37 1.43 -1.26 -1.80 118.68 122.35 1tye s LEU 393 Ca -0.04 1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1tye s LEU 393 Cb -0.14 -4.34 0.02 0.00 0.03 0.00 0.00 46.19 41.75 1tye s LEU 393 CO -0.04 -0.38 1.08 -0.83 0.23 0.00 0.00 176.35 176.41 1tye s GLY 394 N -2.54 1.64 0.07 -3.19 0.00 -1.12 -3.56 107.32 98.62 1tye s GLY 394 Ca 0.58 -0.14 -0.27 0.00 0.00 0.00 0.00 44.72 44.89 1tye s GLY 394 CO 0.21 0.22 0.96 1.62 0.00 0.00 0.00 173.10 176.11 1tye s GLN 395 N -5.17 0.96 0.23 2.90 0.74 -0.74 -4.85 119.66 113.73 1tye s GLN 395 Ca 0.59 -0.47 -0.11 0.00 0.05 0.00 0.00 55.36 55.42 1tye s GLN 395 Cb -0.13 0.37 0.32 0.00 1.10 0.00 0.00 33.01 34.66 1tye s GLN 395 CO 0.54 -0.43 1.63 1.03 -0.55 0.00 0.00 175.29 177.50 1tye h SER 396 N 2.00 -0.53 0.47 6.67 0.87 -1.86 -1.40 113.55 119.77 1tye h SER 396 Ca -0.23 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1tye h SER 396 Cb 1.23 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 1tye h SER 396 CO 0.28 -0.20 -0.09 -0.62 -0.53 0.00 0.00 176.83 175.66 1tye n GLU 397 N -5.41 0.52 0.00 2.24 4.71 -1.26 -4.79 120.64 116.65 1tye n GLU 397 Ca 0.10 -0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 1tye n GLU 397 Cb 0.39 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 1tye n GLU 397 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1tye n GLY 398 N 1.31 0.92 3.10 0.62 0.00 -0.53 -5.02 105.19 105.59 1tye n GLY 398 Ca 0.13 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1tye n GLY 398 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tye s LEU 399 N 0.00 2.47 0.01 0.99 1.43 -1.26 -1.79 118.68 120.52 1tye s LEU 399 Ca 0.00 -0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 52.02 1tye s LEU 399 Cb 0.00 0.09 -0.06 0.00 0.03 0.00 0.00 46.19 46.26 1tye s LEU 399 CO 0.00 -0.52 0.40 0.00 0.23 0.00 0.00 176.35 176.46 1tye s ARG 400 N -3.60 3.88 0.49 1.70 1.70 -1.23 -4.95 118.95 116.94 1tye s ARG 400 Ca 0.06 0.37 0.33 0.00 -0.47 0.00 0.00 55.73 56.02 1tye s ARG 400 Cb 0.05 -3.19 1.68 0.00 -0.57 0.00 0.00 34.95 32.92 1tye s ARG 400 CO -0.07 0.68 2.01 0.77 -1.08 0.00 0.00 175.30 177.61 1tye h SER 401 N 4.59 0.00 -3.61 -2.89 0.02 -1.98 -3.41 113.55 106.27 1tye h SER 401 Ca -0.51 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.81 1tye h SER 401 Cb 1.22 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.62 1tye h SER 401 CO 0.62 0.00 -0.06 -0.13 -1.14 0.00 0.00 176.83 176.12 1tye s ARG 402 N -3.77 4.00 -0.03 3.45 1.81 -1.26 -5.02 118.95 118.13 1tye s ARG 402 Ca -0.02 0.21 -0.30 0.00 -1.72 0.00 0.00 55.73 53.90 1tye s ARG 402 Cb 0.10 -3.67 -0.05 0.00 -0.45 0.00 0.00 34.95 30.87 1tye s ARG 402 CO 0.38 -0.38 1.44 -1.25 -0.68 0.00 0.00 175.30 174.81 1tye s PRO 403 N 2.28 4.25 -0.01 3.54 0.04 -1.26 -4.78 135.00 139.07 1tye s PRO 403 Ca 0.20 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1tye s PRO 403 Cb -0.16 -3.68 0.02 0.00 0.04 0.00 0.00 34.50 30.73 1tye s PRO 403 CO 0.10 -0.65 0.59 -1.13 0.04 0.00 0.00 177.00 175.94 1tye n SER 404 N 5.88 1.33 0.00 6.66 3.41 -0.67 -4.84 113.62 125.39 1tye n SER 404 Ca 0.14 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1tye n SER 404 Cb 0.44 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1tye n SER 404 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1tye n GLN 405 N 0.06 0.00 -3.58 4.33 7.27 -1.25 -4.95 117.38 119.26 1tye n GLN 405 Ca 0.01 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.95 1tye n GLN 405 Cb 0.30 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.83 1tye n GLN 405 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1tye s VAL 406 N -2.00 -0.45 -0.27 1.69 1.01 -1.26 -2.76 120.40 116.37 1tye s VAL 406 Ca 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 1tye s VAL 406 Cb 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1tye s VAL 406 CO 0.00 0.01 0.32 -0.76 0.00 0.00 0.00 175.10 174.68 1tye s LEU 407 N 2.44 4.04 0.09 3.92 1.43 0.67 -4.95 118.68 126.32 1tye s LEU 407 Ca 0.04 0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 53.26 1tye s LEU 407 Cb -0.13 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.68 1tye s LEU 407 CO -0.11 -0.14 0.41 -1.81 0.23 0.00 0.00 176.35 174.94 1tye s ASP 408 N 1.62 6.65 0.06 2.29 1.11 -1.26 -0.98 116.67 126.15 1tye s ASP 408 Ca 0.13 0.81 -0.32 0.00 0.18 0.00 0.00 52.55 53.36 1tye s ASP 408 Cb -0.16 -2.19 -0.11 0.00 1.07 0.00 0.00 42.92 41.54 1tye s ASP 408 CO 0.10 0.16 1.87 -0.24 1.18 0.00 0.00 175.17 178.24 1tye n SER 409 N 0.88 3.90 -1.28 0.27 2.88 -0.75 -4.84 113.62 114.68 1tye n SER 409 Ca -0.08 0.96 -0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1tye n SER 409 Cb 0.52 -1.50 0.17 0.00 -0.75 0.00 0.00 64.21 62.65 1tye n SER 409 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1tye n PRO 410 N 6.26 2.56 -4.38 -1.46 -0.04 -1.26 -4.88 135.00 131.81 1tye n PRO 410 Ca 0.19 -1.50 -0.20 0.00 -0.04 0.00 0.00 63.50 61.96 1tye n PRO 410 Cb 0.36 -1.79 -0.10 0.00 -0.04 0.00 0.00 33.50 31.93 1tye n PRO 410 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1tye s PHE 411 N -1.78 1.83 1.10 0.54 0.08 -1.26 -5.16 117.98 113.33 1tye s PHE 411 Ca 0.27 -0.57 -0.18 0.00 0.12 0.00 0.00 56.93 56.57 1tye s PHE 411 Cb 0.21 -0.88 0.28 0.00 -0.57 0.00 0.00 43.02 42.06 1tye s PHE 411 CO 0.07 0.39 0.74 -2.30 -0.10 0.00 0.00 175.22 174.02 1tye n PRO 412 N -0.45 -3.78 -2.27 0.24 -0.02 -1.26 -4.93 135.00 122.53 1tye n PRO 412 Ca -0.07 -1.22 -0.41 0.00 -2.02 0.00 0.00 63.50 59.78 1tye n PRO 412 Cb 0.61 -1.43 -0.03 0.00 -0.02 0.00 0.00 33.50 32.63 1tye n PRO 412 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1tye s THR 413 N -2.09 3.22 -0.09 3.45 2.01 -1.26 -3.55 115.64 117.33 1tye s THR 413 Ca 0.54 1.08 -0.01 0.00 0.31 0.00 0.00 61.69 63.61 1tye s THR 413 Cb -0.08 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.74 1tye s THR 413 CO 0.44 0.20 0.08 0.61 -0.69 0.00 0.00 174.62 175.26 1tye n GLY 414 N 1.84 0.82 0.01 4.40 0.00 -1.26 -4.96 105.19 106.03 1tye n GLY 414 Ca 0.03 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.56 1tye n GLY 414 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tye n SER 415 N 1.03 0.33 -1.37 1.61 3.41 -1.23 -4.37 113.62 113.03 1tye n SER 415 Ca -0.00 -0.31 -0.17 0.00 -0.26 0.00 0.00 58.87 58.13 1tye n SER 415 Cb 0.50 1.65 -0.06 0.00 -0.26 0.00 0.00 64.21 66.04 1tye n SER 415 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tye n ALA 416 N -2.01 -0.29 -1.60 7.33 0.00 -1.26 0.15 120.51 122.82 1tye n ALA 416 Ca -0.01 0.25 -0.58 0.00 0.00 0.00 0.00 53.44 53.09 1tye n ALA 416 Cb 0.49 -1.76 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 1tye n ALA 416 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1tye n PHE 417 N -2.76 1.80 0.00 0.00 -0.00 -1.26 -0.78 117.46 114.47 1tye n PHE 417 Ca -0.17 0.60 0.00 0.00 -0.00 0.00 0.00 57.45 57.88 1tye n PHE 417 Cb 0.56 -2.42 0.00 0.00 -0.00 0.00 0.00 39.48 37.62 1tye n PHE 417 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1tye n GLY 418 N 5.12 1.64 0.26 7.13 0.00 -0.51 -3.62 105.19 115.22 1tye n GLY 418 Ca 0.34 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.39 1tye n GLY 418 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tye h PHE 419 N 0.00 0.51 -3.40 1.61 3.57 -1.05 -3.40 116.94 114.79 1tye h PHE 419 Ca 0.00 0.03 -0.67 0.00 3.53 0.00 0.00 57.97 60.86 1tye h PHE 419 Cb 0.00 -0.12 -0.31 0.00 2.79 0.00 0.00 35.95 38.31 1tye h PHE 419 CO 0.00 0.11 -0.84 -1.54 -2.23 0.00 0.00 178.31 173.81 1tye s SER 420 N -5.39 3.41 0.04 0.41 1.04 -1.26 -4.66 113.70 107.28 1tye s SER 420 Ca -0.13 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 55.87 1tye s SER 420 Cb 0.19 -1.42 -0.02 0.00 0.10 0.00 0.00 66.02 64.87 1tye s SER 420 CO 0.76 0.17 -0.11 -0.76 0.98 0.00 0.00 173.24 174.28 1tye s LEU 421 N 0.28 2.18 -0.25 2.42 1.43 -1.26 -0.84 118.68 122.64 1tye s LEU 421 Ca -0.15 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 1tye s LEU 421 Cb -0.17 -0.40 0.07 0.00 0.03 0.00 0.00 46.19 45.72 1tye s LEU 421 CO 0.07 -0.05 0.63 -0.60 0.23 0.00 0.00 176.35 176.64 1tye s ARG 422 N -1.17 0.67 0.00 1.70 6.06 -0.95 -4.68 118.95 120.59 1tye s ARG 422 Ca -0.02 1.06 0.00 0.00 -2.50 0.00 0.00 55.73 54.26 1tye s ARG 422 Cb -0.08 0.18 0.00 0.00 0.06 0.00 0.00 34.95 35.11 1tye s ARG 422 CO 0.01 -0.13 0.00 0.41 -2.50 0.00 0.00 175.30 173.08 1tye n GLY 423 N 3.84 4.67 2.32 8.12 0.00 -1.26 -0.73 105.19 122.16 1tye n GLY 423 Ca -0.19 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 1tye n GLY 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tye n ALA 424 N -3.00 -0.35 -3.45 4.61 0.00 -1.19 -4.83 120.51 112.30 1tye n ALA 424 Ca 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 1tye n ALA 424 Cb 0.00 -1.63 -0.15 0.00 0.00 0.00 0.00 19.45 17.67 1tye n ALA 424 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1tye s VAL 425 N -2.65 -0.04 -0.68 0.00 1.01 -1.26 -4.72 120.40 112.06 1tye s VAL 425 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 1tye s VAL 425 Cb 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 36.38 36.38 1tye s VAL 425 CO 0.00 0.06 1.07 -0.62 0.00 0.00 0.00 175.10 175.61 1tye s ASP 426 N 0.69 6.18 0.01 3.32 -1.08 -1.26 -1.73 116.67 122.80 1tye s ASP 426 Ca -0.06 -0.76 0.09 0.00 -0.52 0.00 0.00 52.55 51.30 1tye s ASP 426 Cb -0.08 -2.47 -0.23 0.00 -1.46 0.00 0.00 42.92 38.68 1tye s ASP 426 CO -0.02 -1.56 0.86 -0.29 0.52 0.00 0.00 175.17 174.68 1tye h ILE 427 N 6.00 1.14 -0.00 4.11 2.10 -1.95 -3.35 117.51 125.55 1tye h ILE 427 Ca -0.28 -2.92 0.00 0.00 1.08 0.00 0.00 64.86 62.74 1tye h ILE 427 Cb 1.06 2.59 0.00 0.00 -1.09 0.00 0.00 36.82 39.38 1tye h ILE 427 CO 1.21 0.68 -0.71 -0.90 -1.08 0.00 0.00 178.15 177.36 1tye n ASP 428 N -3.20 0.79 -2.47 2.19 5.75 -1.26 -4.81 116.55 113.54 1tye n ASP 428 Ca -0.12 -0.64 -0.00 0.00 -0.01 0.00 0.00 54.79 54.01 1tye n ASP 428 Cb 1.02 0.58 0.00 0.00 -1.03 0.00 0.00 41.12 41.69 1tye n ASP 428 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1tye n ASP 429 N -1.42 -6.76 -0.71 -1.12 2.03 -1.26 -5.02 116.55 102.29 1tye n ASP 429 Ca 0.05 1.09 -0.03 0.00 0.52 0.00 0.00 54.79 56.42 1tye n ASP 429 Cb 0.34 -4.44 -0.03 0.00 -0.72 0.00 0.00 41.12 36.27 1tye n ASP 429 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1tye n ASN 430 N 0.50 -0.46 -1.01 1.67 6.94 -1.26 -4.99 115.26 116.64 1tye n ASN 430 Ca 0.01 -1.37 -0.13 0.00 -0.02 0.00 0.00 54.58 53.06 1tye n ASN 430 Cb 0.03 0.14 -0.06 0.00 -2.36 0.00 0.00 39.78 37.53 1tye n ASN 430 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1tye n GLY 431 N 0.00 1.32 2.87 4.83 0.00 -1.26 -4.97 105.19 107.98 1tye n GLY 431 Ca -0.13 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 1tye n GLY 431 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tye s TYR 432 N -2.26 0.91 0.60 1.61 2.02 -1.26 -5.10 117.35 113.88 1tye s TYR 432 Ca 0.00 -0.31 -0.19 0.00 -0.37 0.00 0.00 57.07 56.20 1tye s TYR 432 Cb 0.00 -0.83 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 1tye s TYR 432 CO 0.00 -0.29 1.27 -2.14 -1.57 0.00 0.00 175.55 172.82 1tye s PRO 433 N 1.32 2.84 0.05 -1.71 0.02 -1.26 -4.54 135.00 131.72 1tye s PRO 433 Ca -0.04 2.01 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1tye s PRO 433 Cb -0.14 -1.97 -0.00 0.00 0.02 0.00 0.00 34.50 32.42 1tye s PRO 433 CO -0.02 -1.36 0.00 -0.25 -0.33 0.00 0.00 177.00 175.04 1tye n ASP 434 N -1.59 2.06 -3.71 2.53 8.00 -0.71 -4.20 116.55 118.93 1tye n ASP 434 Ca 0.14 -1.22 -0.12 0.00 0.71 0.00 0.00 54.79 54.30 1tye n ASP 434 Cb 0.48 0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.50 1tye n ASP 434 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1tye s LEU 435 N 0.00 0.22 -0.08 0.64 2.96 -0.74 -3.16 118.68 118.52 1tye s LEU 435 Ca 0.00 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1tye s LEU 435 Cb 0.00 0.95 -0.03 0.00 0.50 0.00 0.00 46.19 47.61 1tye s LEU 435 CO 0.00 -0.18 -0.06 0.27 -1.32 0.00 0.00 176.35 175.07 1tye s ILE 436 N 1.33 3.78 -0.08 6.68 -4.36 0.09 0.51 121.20 129.15 1tye s ILE 436 Ca -0.09 -0.44 0.01 0.00 -0.26 0.00 0.00 60.65 59.86 1tye s ILE 436 Cb -0.10 -2.56 0.02 0.00 1.25 0.00 0.00 42.46 41.07 1tye s ILE 436 CO -0.10 0.59 -0.09 -0.69 0.24 0.00 0.00 174.94 174.89 1tye s VAL 437 N -0.69 1.00 0.25 8.37 1.01 0.87 -2.23 120.40 128.98 1tye s VAL 437 Ca 0.10 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1tye s VAL 437 Cb -0.11 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 1tye s VAL 437 CO 0.02 0.34 0.56 -0.83 0.00 0.00 0.00 175.10 175.19 1tye s GLY 438 N 1.17 2.16 -0.42 4.51 0.00 -0.02 -0.12 107.32 114.59 1tye s GLY 438 Ca -0.05 -0.35 0.05 0.00 0.00 0.00 0.00 44.72 44.37 1tye s GLY 438 CO -0.02 -0.21 0.43 0.00 0.00 0.00 0.00 173.10 173.30 1tye n ALA 439 N -0.39 2.21 0.13 3.20 0.00 0.15 -1.43 120.51 124.38 1tye n ALA 439 Ca -0.00 -2.94 0.16 0.00 0.00 0.00 0.00 53.44 50.67 1tye n ALA 439 Cb 0.53 -0.85 0.73 0.00 0.00 0.00 0.00 19.45 19.86 1tye n ALA 439 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1tye h TYR 440 N 5.13 0.00 -0.01 0.00 -0.00 -1.64 0.68 116.97 121.12 1tye h TYR 440 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.81 1tye h TYR 440 Cb 0.92 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.64 1tye h TYR 440 CO 0.26 0.00 -0.49 0.78 -0.00 0.00 0.00 178.16 178.71 1tye h GLY 441 N 0.00 0.03 -1.33 0.10 0.00 -0.50 -2.76 103.07 98.62 1tye h GLY 441 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1tye h GLY 441 CO -0.00 0.03 -0.10 0.00 0.00 0.00 0.00 176.54 176.47 1tye n ALA 442 N -2.45 2.72 -3.36 3.60 0.00 0.11 -4.72 120.51 116.42 1tye n ALA 442 Ca -0.02 -0.61 -0.24 0.00 0.00 0.00 0.00 53.44 52.57 1tye n ALA 442 Cb 0.51 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 19.11 1tye n ALA 442 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tye n ASN 443 N 0.74 -5.94 -4.03 0.00 3.02 -0.47 -4.96 115.26 103.62 1tye n ASN 443 Ca 0.14 -0.44 -0.10 0.00 -0.03 0.00 0.00 54.58 54.15 1tye n ASN 443 Cb 0.51 -4.75 -0.08 0.00 -0.61 0.00 0.00 39.78 34.85 1tye n ASN 443 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1tye s GLN 444 N -6.06 1.08 0.06 3.52 -0.21 -1.09 -2.00 119.66 114.96 1tye s GLN 444 Ca 0.46 -1.27 0.05 0.00 0.02 0.00 0.00 55.36 54.62 1tye s GLN 444 Cb -0.21 0.33 -0.03 0.00 1.00 0.00 0.00 33.01 34.10 1tye s GLN 444 CO 0.57 -0.37 -0.14 0.08 -2.12 0.00 0.00 175.29 173.31 1tye s VAL 445 N -4.00 1.11 -0.05 1.09 1.01 0.13 -0.68 120.40 119.02 1tye s VAL 445 Ca 0.20 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.97 1tye s VAL 445 Cb 0.05 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1tye s VAL 445 CO 0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 175.10 174.83 1tye s ALA 446 N -1.16 1.16 -0.21 5.51 0.00 0.83 -0.97 121.76 126.92 1tye s ALA 446 Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 1tye s ALA 446 Cb -0.09 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1tye s ALA 446 CO 0.02 0.13 0.09 0.08 0.00 0.00 0.00 175.76 176.08 1tye s VAL 447 N 0.49 4.86 -0.31 0.00 1.01 -0.24 -0.09 120.40 126.12 1tye s VAL 447 Ca -0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1tye s VAL 447 Cb -0.14 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1tye s VAL 447 CO 0.03 0.42 0.03 -0.31 0.00 0.00 0.00 175.10 175.26 1tye s TYR 448 N 0.71 3.24 0.29 5.22 2.02 0.18 -2.51 117.35 126.51 1tye s TYR 448 Ca 0.05 -1.68 -0.17 0.00 -0.37 0.00 0.00 57.07 54.89 1tye s TYR 448 Cb -0.13 -2.16 -0.09 0.00 -0.40 0.00 0.00 41.96 39.18 1tye s TYR 448 CO 0.02 -0.77 0.75 1.03 -1.57 0.00 0.00 175.55 175.00 1tye s ARG 449 N 1.31 4.12 0.00 -0.62 0.52 -1.26 -1.80 118.95 121.22 1tye s ARG 449 Ca -0.04 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 55.95 1tye s ARG 449 Cb -0.19 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.68 1tye s ARG 449 CO 0.00 0.24 0.51 0.00 0.02 0.00 0.00 175.30 176.07 1tye n ALA 450 N 0.04 -0.23 -3.71 2.13 0.00 -1.26 -0.40 120.51 117.07 1tye n ALA 450 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 1tye n ALA 450 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 1tye n ALA 450 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tye n GLN 451 N -1.76 1.37 0.00 0.00 1.13 -1.26 -3.86 117.38 113.00 1tye n GLN 451 Ca 0.00 -4.09 0.01 0.00 -1.94 0.00 0.00 57.00 50.98 1tye n GLN 451 Cb 0.00 -2.08 0.06 0.00 0.11 0.00 0.00 30.24 28.33 1tye n GLN 451 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32