#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sks s ILE 2 N 0.00 1.66 -0.08 1.12 -4.36 -0.29 -2.04 121.20 117.21 1sks s ILE 2 Ca 0.00 -1.81 0.04 0.00 -0.26 0.00 0.00 60.65 58.63 1sks s ILE 2 Cb 0.00 -1.71 -0.01 0.00 1.25 0.00 0.00 42.46 41.99 1sks s ILE 2 CO 0.00 -0.31 -0.21 -0.69 0.24 0.00 0.00 174.94 173.97 1sks s VAL 3 N -1.95 2.41 0.16 8.37 1.01 -0.09 -0.41 120.40 129.91 1sks s VAL 3 Ca 0.12 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 1sks s VAL 3 Cb -0.06 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1sks s VAL 3 CO 0.05 0.56 0.21 -0.55 0.00 0.00 0.00 175.10 175.37 1sks s SER 4 N -0.05 0.13 -0.10 3.32 0.15 0.46 -0.71 113.70 116.90 1sks s SER 4 Ca -0.06 -1.04 -0.30 0.00 0.70 0.00 0.00 55.95 55.26 1sks s SER 4 Cb -0.15 0.40 0.07 0.00 -1.71 0.00 0.00 66.02 64.64 1sks s SER 4 CO 0.05 -0.85 0.71 -0.62 1.20 0.00 0.00 173.24 173.73 1sks s ASP 5 N -3.02 -0.65 0.13 5.45 2.15 -1.10 -4.37 116.67 115.26 1sks s ASP 5 Ca 0.22 0.82 0.04 0.00 0.43 0.00 0.00 52.55 54.06 1sks s ASP 5 Cb 0.05 0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 43.30 1sks s ASP 5 CO 0.02 -0.53 -0.11 0.27 -0.17 0.00 0.00 175.17 174.66 1sks s ILE 6 N -0.91 1.12 -0.10 4.11 -4.36 -1.26 -1.64 121.20 118.15 1sks s ILE 6 Ca -0.08 -1.87 0.04 0.00 -0.26 0.00 0.00 60.65 58.48 1sks s ILE 6 Cb -0.01 -1.64 0.00 0.00 1.25 0.00 0.00 42.46 42.07 1sks s ILE 6 CO 0.08 -0.63 -0.23 -1.61 0.24 0.00 0.00 174.94 172.79 1sks s GLU 7 N -3.26 2.91 0.41 0.37 0.41 0.70 -4.98 118.70 115.26 1sks s GLU 7 Ca 0.12 -0.83 0.04 0.00 -0.41 0.00 0.00 54.97 53.88 1sks s GLU 7 Cb -0.00 -2.22 -0.02 0.00 -1.78 0.00 0.00 34.13 30.10 1sks s GLU 7 CO 0.01 0.16 0.12 0.00 -0.49 0.00 0.00 175.26 175.05 1sks s ALA 8 N 0.39 2.97 -1.91 5.21 0.00 -1.26 -0.64 121.76 126.53 1sks s ALA 8 Ca -0.18 -1.22 0.29 0.00 0.00 0.00 0.00 51.96 50.85 1sks s ALA 8 Cb -0.18 0.71 1.32 0.00 0.00 0.00 0.00 23.12 24.97 1sks s ALA 8 CO 0.08 -0.32 1.91 0.27 0.00 0.00 0.00 175.76 177.70 1sks n ASN 9 N -1.29 0.61 -2.61 0.00 6.94 -0.75 -4.83 115.26 113.33 1sks n ASN 9 Ca -0.07 -0.87 -0.02 0.00 -0.02 0.00 0.00 54.58 53.60 1sks n ASN 9 Cb 0.65 -0.04 0.01 0.00 -2.36 0.00 0.00 39.78 38.05 1sks n ASN 9 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sks n ALA 10 N -0.71 -1.91 -1.59 -2.53 0.00 -1.26 -4.70 120.51 107.80 1sks n ALA 10 Ca 0.17 -0.69 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 1sks n ALA 10 Cb 0.26 0.36 0.07 0.00 0.00 0.00 0.00 19.45 20.14 1sks n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sks s LEU 11 N 0.00 2.85 0.21 0.00 1.43 -1.26 -4.58 118.68 117.33 1sks s LEU 11 Ca 0.16 1.42 -0.20 0.00 -1.03 0.00 0.00 54.13 54.48 1sks s LEU 11 Cb -0.02 -4.16 0.18 0.00 0.03 0.00 0.00 46.19 42.21 1sks s LEU 11 CO 0.03 -1.68 1.56 0.25 0.23 0.00 0.00 176.35 176.74 1sks h LEU 12 N -0.89 -1.48 -0.99 1.79 5.85 -1.94 -0.16 115.31 117.50 1sks h LEU 12 Ca -0.45 0.30 0.34 0.00 0.84 0.00 0.00 57.88 58.90 1sks h LEU 12 Cb 1.24 0.75 -0.16 0.00 0.37 0.00 0.00 40.66 42.86 1sks h LEU 12 CO 0.59 -0.29 0.51 -0.33 -0.34 0.00 0.00 178.44 178.58 1sks h GLU 13 N -0.04 0.20 0.00 1.25 3.07 -1.99 -2.91 114.58 114.16 1sks h GLU 13 Ca 0.30 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1sks h GLU 13 Cb 0.57 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1sks h GLU 13 CO -0.92 0.14 -0.02 -1.13 -1.40 0.00 0.00 179.01 175.68 1sks n SER 14 N -5.14 1.37 -4.76 1.42 3.41 -0.72 -5.08 113.62 104.12 1sks n SER 14 Ca 0.32 -1.79 -0.40 0.00 -0.26 0.00 0.00 58.87 56.74 1sks n SER 14 Cb 1.03 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.96 1sks n SER 14 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1sks n VAL 15 N -0.41 2.77 -0.03 -3.33 3.14 -0.15 -4.86 118.33 115.46 1sks n VAL 15 Ca 0.01 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 1sks n VAL 15 Cb 0.37 -1.82 0.00 0.00 -1.06 0.00 0.00 33.84 31.33 1sks n VAL 15 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1sks n THR 16 N -0.20 0.00 -4.07 1.55 -2.24 -1.26 -4.93 114.28 103.12 1sks n THR 16 Ca 0.05 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.67 1sks n THR 16 Cb 0.41 0.48 -0.15 0.00 -2.10 0.00 0.00 70.33 68.97 1sks n THR 16 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sks s LYS 17 N 0.00 0.42 -0.17 -0.78 2.20 -1.26 -4.80 119.74 115.34 1sks s LYS 17 Ca 0.00 -0.08 -0.22 0.00 -0.36 0.00 0.00 55.97 55.30 1sks s LYS 17 Cb 0.00 -0.46 -0.02 0.00 -1.51 0.00 0.00 37.83 35.84 1sks s LYS 17 CO 0.00 0.00 0.69 0.12 -0.36 0.00 0.00 175.35 175.80 1sks s PHE 18 N 0.37 3.42 -0.18 4.03 5.36 -1.26 -1.80 117.98 127.92 1sks s PHE 18 Ca -0.04 1.06 -0.14 0.00 -0.96 0.00 0.00 56.93 56.85 1sks s PHE 18 Cb -0.07 -2.85 -0.08 0.00 -0.34 0.00 0.00 43.02 39.68 1sks s PHE 18 CO -0.01 -0.15 -0.13 0.72 -1.46 0.00 0.00 175.22 174.20 1sks n HIS 19 N 4.88 0.71 -3.81 10.12 8.25 0.19 -4.63 115.22 130.94 1sks n HIS 19 Ca 0.00 0.31 -0.06 0.00 -0.26 0.00 0.00 57.72 57.71 1sks n HIS 19 Cb 0.50 -0.82 -0.02 0.00 1.12 0.00 0.00 29.99 30.77 1sks n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sks s GLY 21 N -2.92 -0.12 -0.01 0.00 0.00 -0.61 -0.21 107.32 103.45 1sks s GLY 21 Ca 0.11 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1sks s GLY 21 CO 0.05 -0.52 -0.02 0.14 0.00 0.00 0.00 173.10 172.74 1sks s VAL 22 N -3.81 0.23 -0.04 1.40 1.01 -0.65 -0.86 120.40 117.68 1sks s VAL 22 Ca 0.04 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1sks s VAL 22 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1sks s VAL 22 CO -0.12 0.09 -0.17 -0.63 0.00 0.00 0.00 175.10 174.27 1sks s ILE 23 N 0.19 1.43 -0.18 2.22 1.01 -0.43 -2.70 121.20 122.74 1sks s ILE 23 Ca -0.02 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1sks s ILE 23 Cb -0.04 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1sks s ILE 23 CO -0.00 0.41 -0.14 -0.47 0.00 0.00 0.00 174.94 174.74 1sks s TYR 24 N -0.05 2.83 -0.26 3.97 5.04 0.11 -1.00 117.35 127.99 1sks s TYR 24 Ca -0.02 -1.20 -0.08 0.00 -2.44 0.00 0.00 57.07 53.33 1sks s TYR 24 Cb -0.11 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.21 1sks s TYR 24 CO 0.02 -0.60 0.09 0.34 -1.34 0.00 0.00 175.55 174.06 1sks s ASP 25 N 1.14 5.31 0.40 4.32 -1.08 -1.09 -0.91 116.67 124.77 1sks s ASP 25 Ca 0.01 -0.17 0.11 0.00 -0.52 0.00 0.00 52.55 51.98 1sks s ASP 25 Cb -0.14 -1.96 0.84 0.00 -1.46 0.00 0.00 42.92 40.20 1sks s ASP 25 CO -0.05 -0.04 1.93 1.88 0.52 0.00 0.00 175.17 179.41 1sks h TYR 26 N 8.27 0.16 0.00 -5.34 0.05 -1.77 0.48 116.97 118.82 1sks h TYR 26 Ca -0.38 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.39 1sks h TYR 26 Cb 1.18 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.87 1sks h TYR 26 CO 0.69 0.31 0.00 -1.13 -1.05 0.00 0.00 178.16 176.98 1sks n SER 27 N -4.28 0.63 0.00 3.88 3.41 -1.26 -3.42 113.62 112.58 1sks n SER 27 Ca -0.01 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1sks n SER 27 Cb 0.27 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1sks n SER 27 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1sks n THR 28 N -2.15 0.00 -2.82 6.66 -2.24 -1.03 -5.03 114.28 107.67 1sks n THR 28 Ca 0.03 -0.33 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 1sks n THR 28 Cb 0.29 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1sks n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sks n ALA 29 N -0.50 -0.88 -2.53 6.98 0.00 0.16 -4.98 120.51 118.77 1sks n ALA 29 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 1sks n ALA 29 Cb 0.02 -2.54 -0.13 0.00 0.00 0.00 0.00 19.45 16.80 1sks n ALA 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sks s GLU 30 N -5.46 1.16 -0.20 0.00 2.02 -1.22 -4.96 118.70 110.03 1sks s GLU 30 Ca 0.18 -1.15 -0.11 0.00 0.02 0.00 0.00 54.97 53.91 1sks s GLU 30 Cb -0.09 -1.42 -0.05 0.00 0.10 0.00 0.00 34.13 32.67 1sks s GLU 30 CO 0.22 0.33 0.18 0.71 0.02 0.00 0.00 175.26 176.73 1sks s TYR 31 N -1.12 3.39 -0.09 1.61 1.51 -1.26 -2.68 117.35 118.71 1sks s TYR 31 Ca 0.07 0.37 0.04 0.00 -1.01 0.00 0.00 57.07 56.54 1sks s TYR 31 Cb -0.10 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.51 1sks s TYR 31 CO 0.04 0.21 -0.22 0.08 -1.11 0.00 0.00 175.55 174.55 1sks s VAL 32 N 0.61 1.92 0.05 0.71 1.01 -0.17 -4.98 120.40 119.54 1sks s VAL 32 Ca 0.10 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1sks s VAL 32 Cb -0.12 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1sks s VAL 32 CO 0.01 0.53 0.17 -0.44 0.00 0.00 0.00 175.10 175.37 1sks s SER 33 N 0.36 6.15 -0.11 3.32 0.01 -1.26 -1.31 113.70 120.85 1sks s SER 33 Ca -0.17 0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.30 1sks s SER 33 Cb -0.17 -1.85 0.03 0.00 0.21 0.00 0.00 66.02 64.23 1sks s SER 33 CO 0.08 0.19 -0.05 -0.31 0.41 0.00 0.00 173.24 173.56 1sks s TYR 34 N -1.44 1.27 0.71 2.43 1.51 -0.04 -5.00 117.35 116.80 1sks s TYR 34 Ca 0.32 -0.63 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 1sks s TYR 34 Cb -0.13 -1.12 0.11 0.00 -0.11 0.00 0.00 41.96 40.71 1sks s TYR 34 CO 0.25 -0.48 0.99 1.03 -1.11 0.00 0.00 175.55 176.23 1sks s ARG 35 N 1.78 1.79 0.30 -0.62 0.52 -1.26 -1.57 118.95 119.88 1sks s ARG 35 Ca 0.04 -0.86 0.05 0.00 -0.52 0.00 0.00 55.73 54.44 1sks s ARG 35 Cb -0.13 -2.28 0.80 0.00 0.52 0.00 0.00 34.95 33.86 1sks s ARG 35 CO -0.07 -1.40 1.64 -1.00 0.02 0.00 0.00 175.30 174.49 1sks h PRO 36 N -0.55 0.18 0.00 3.54 0.13 -1.62 0.55 132.00 134.23 1sks h PRO 36 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1sks h PRO 36 Cb 1.28 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1sks h PRO 36 CO 0.45 0.12 0.00 -1.13 -0.23 0.00 0.00 178.00 177.21 1sks n SER 37 N -5.24 0.00 -0.64 1.44 3.41 -1.26 -2.59 113.62 108.74 1sks n SER 37 Ca 0.24 -1.00 0.06 0.00 -0.26 0.00 0.00 58.87 57.91 1sks n SER 37 Cb 0.77 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.86 1sks n SER 37 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sks n ASP 38 N -0.80 2.77 -0.19 4.04 8.00 0.19 -4.70 116.55 125.87 1sks n ASP 38 Ca 0.11 -1.89 -0.02 0.00 0.71 0.00 0.00 54.79 53.70 1sks n ASP 38 Cb 0.05 -0.19 0.05 0.00 -0.02 0.00 0.00 41.12 41.00 1sks n ASP 38 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1sks h PHE 39 N 2.22 -0.35 -0.94 1.24 3.57 -1.53 0.11 116.94 121.26 1sks h PHE 39 Ca 0.00 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.64 1sks h PHE 39 Cb 0.69 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.61 1sks h PHE 39 CO 0.19 -0.26 0.58 0.78 -2.23 0.00 0.00 178.31 177.38 1sks h GLY 40 N -0.02 1.45 1.42 2.40 0.00 -1.87 -1.15 103.07 105.31 1sks h GLY 40 Ca 0.27 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 1sks h GLY 40 CO -0.59 0.24 -0.40 0.00 0.00 0.00 0.00 176.54 175.79 1sks h ALA 41 N 1.46 0.80 0.08 3.60 0.00 -1.34 -2.31 119.26 121.55 1sks h ALA 41 Ca 0.43 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sks h ALA 41 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1sks h ALA 41 CO -0.21 0.65 -0.12 -0.92 0.00 0.00 0.00 179.25 178.65 1sks h TYR 42 N 0.53 -0.31 -0.89 0.00 3.20 0.28 -1.05 116.97 118.72 1sks h TYR 42 Ca 0.05 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1sks h TYR 42 Cb 0.92 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.27 1sks h TYR 42 CO 0.04 -0.19 0.58 -0.07 -1.64 0.00 0.00 178.16 176.89 1sks h LEU 43 N -0.25 0.98 -1.07 2.82 3.38 -1.23 -2.01 115.31 117.93 1sks h LEU 43 Ca 0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1sks h LEU 43 Cb 0.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1sks h LEU 43 CO -0.06 0.69 0.02 0.44 0.09 0.00 0.00 178.44 179.62 1sks h ASP 44 N 1.16 0.64 -0.34 -0.43 3.32 -1.11 -0.68 116.42 118.97 1sks h ASP 44 Ca 0.34 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 1sks h ASP 44 Cb -0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1sks h ASP 44 CO -0.10 0.70 0.03 0.00 -1.72 0.00 0.00 179.24 178.15 1sks h ALA 45 N 1.38 1.24 -0.09 3.45 0.00 -0.48 -1.20 119.26 123.56 1sks h ALA 45 Ca 0.13 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1sks h ALA 45 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sks h ALA 45 CO 0.01 0.51 -0.26 -0.07 0.00 0.00 0.00 179.25 179.44 1sks h LEU 46 N 0.65 0.39 -1.98 0.00 3.38 -0.96 -2.92 115.31 113.88 1sks h LEU 46 Ca 0.14 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1sks h LEU 46 Cb 0.36 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1sks h LEU 46 CO 0.01 0.92 -0.10 -0.33 0.09 0.00 0.00 178.44 179.03 1sks h GLU 47 N -0.12 0.00 -0.14 1.13 5.08 -1.01 -2.11 114.58 117.40 1sks h GLU 47 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1sks h GLU 47 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1sks h GLU 47 CO 0.06 0.10 -0.03 0.00 -1.00 0.00 0.00 179.01 178.13 1sks h ALA 48 N 1.90 0.20 -0.60 3.43 0.00 -1.14 -0.37 119.26 122.68 1sks h ALA 48 Ca -0.00 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.75 1sks h ALA 48 Cb 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1sks h ALA 48 CO 0.01 -0.05 0.40 1.49 0.00 0.00 0.00 179.25 181.10 1sks h GLU 49 N -0.03 0.50 -0.03 0.00 4.57 -1.21 0.11 114.58 118.49 1sks h GLU 49 Ca 0.04 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 1sks h GLU 49 Cb 0.46 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1sks h GLU 49 CO 0.01 0.33 -0.64 0.28 -1.18 0.00 0.00 179.01 177.81 1sks h VAL 50 N 0.51 1.43 -0.07 0.32 2.07 -0.98 0.77 116.25 120.29 1sks h VAL 50 Ca 0.27 -2.13 -0.08 0.00 0.82 0.00 0.00 66.70 65.57 1sks h VAL 50 Cb 0.38 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1sks h VAL 50 CO -0.08 0.62 -0.34 0.00 0.02 0.00 0.00 177.57 177.79 1sks h ALA 51 N 1.26 1.30 -0.01 1.67 0.00 0.93 -2.07 119.26 122.34 1sks h ALA 51 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1sks h ALA 51 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1sks h ALA 51 CO 0.09 0.50 0.00 0.54 0.00 0.00 0.00 179.25 180.38 1sks n ARG 52 N -4.10 1.31 -2.42 0.00 1.74 -0.69 -4.89 116.66 107.60 1sks n ARG 52 Ca -0.01 -0.45 -0.12 0.00 -0.77 0.00 0.00 57.85 56.50 1sks n ARG 52 Cb 0.41 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.37 1sks n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sks n GLY 53 N 1.08 -0.03 0.00 -0.13 0.00 -0.78 -4.97 105.19 100.36 1sks n GLY 53 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1sks n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sks n GLY 54 N -1.08 0.62 3.15 -0.02 0.00 0.25 -1.89 105.19 106.22 1sks n GLY 54 Ca -0.10 -1.88 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 1sks n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sks s LEU 55 N 0.00 2.15 -0.13 0.99 1.43 -1.26 -4.37 118.68 117.49 1sks s LEU 55 Ca 0.00 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1sks s LEU 55 Cb 0.00 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.56 1sks s LEU 55 CO 0.00 0.07 -0.19 -0.63 0.23 0.00 0.00 176.35 175.82 1sks s ILE 56 N -0.77 2.37 -0.21 -0.59 1.09 0.18 -1.13 121.20 122.13 1sks s ILE 56 Ca 0.03 -0.89 -0.06 0.00 -1.10 0.00 0.00 60.65 58.63 1sks s ILE 56 Cb -0.08 -1.96 -0.03 0.00 -1.06 0.00 0.00 42.46 39.33 1sks s ILE 56 CO 0.01 0.54 0.04 -0.69 -0.10 0.00 0.00 174.94 174.74 1sks s VAL 57 N 0.64 4.34 0.13 2.92 1.01 0.45 -1.02 120.40 128.87 1sks s VAL 57 Ca -0.10 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1sks s VAL 57 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1sks s VAL 57 CO 0.02 0.41 -0.14 -0.36 0.00 0.00 0.00 175.10 175.04 1sks s PHE 58 N 0.93 1.42 -0.28 5.22 0.08 -0.72 -0.41 117.98 124.23 1sks s PHE 58 Ca 0.03 -0.58 -0.09 0.00 0.12 0.00 0.00 56.93 56.41 1sks s PHE 58 Cb -0.14 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.55 1sks s PHE 58 CO 0.02 0.16 0.13 -1.58 -0.10 0.00 0.00 175.22 173.86 1sks s HIS 59 N -2.33 3.16 -1.23 0.36 5.65 -1.26 -1.77 115.29 117.87 1sks s HIS 59 Ca 0.11 -0.32 -0.04 0.00 0.25 0.00 0.00 55.06 55.06 1sks s HIS 59 Cb -0.04 -2.32 0.00 0.00 -1.18 0.00 0.00 32.58 29.04 1sks s HIS 59 CO 0.03 -0.34 0.51 -1.71 -0.65 0.00 0.00 174.74 172.58 1sks n ASN 60 N 4.99 -5.22 0.19 9.88 5.15 -1.26 -4.91 115.26 124.07 1sks n ASN 60 Ca -0.15 -0.24 0.09 0.00 -0.60 0.00 0.00 54.58 53.69 1sks n ASN 60 Cb 0.51 -4.06 0.11 0.00 -0.53 0.00 0.00 39.78 35.81 1sks n ASN 60 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1sks h GLY 61 N -1.16 0.00 1.37 8.20 0.00 -1.89 -2.88 103.07 106.71 1sks h GLY 61 Ca -0.42 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 1sks h GLY 61 CO 0.45 0.00 -0.14 0.45 0.00 0.00 0.00 176.54 177.31 1sks h HIS 62 N 0.00 0.81 0.00 5.60 3.86 -1.91 -1.03 115.15 122.48 1sks h HIS 62 Ca -0.01 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 58.94 1sks h HIS 62 Cb 1.11 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 1sks h HIS 62 CO 0.00 0.83 -1.53 1.63 0.86 0.00 0.00 177.93 179.72 1sks n LYS 63 N -4.16 0.63 0.00 2.45 5.02 -1.24 -4.63 118.16 116.24 1sks n LYS 63 Ca 0.01 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1sks n LYS 63 Cb 0.37 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1sks n LYS 63 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1sks n TYR 64 N -2.68 0.00 -0.15 2.13 9.36 -1.09 -4.80 117.16 119.93 1sks n TYR 64 Ca -0.08 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.10 1sks n TYR 64 Cb 0.74 0.09 0.02 0.00 -0.63 0.00 0.00 39.34 39.56 1sks n TYR 64 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1sks h ASP 65 N 0.00 -0.63 0.15 2.98 5.19 -1.68 0.26 116.42 122.69 1sks h ASP 65 Ca 0.00 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1sks h ASP 65 Cb 0.00 0.36 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1sks h ASP 65 CO 0.00 -0.21 -0.07 0.58 -3.12 0.00 0.00 179.24 176.42 1sks h VAL 66 N -0.08 0.94 -0.39 -1.35 2.07 -1.49 -1.04 116.25 114.92 1sks h VAL 66 Ca 0.22 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1sks h VAL 66 Cb 0.42 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1sks h VAL 66 CO -0.52 0.09 -0.00 -0.65 0.02 0.00 0.00 177.57 176.50 1sks h PRO 67 N -0.37 0.61 -0.60 1.57 0.11 -1.72 -2.72 132.00 128.89 1sks h PRO 67 Ca -0.02 -0.14 -0.09 0.00 0.11 0.00 0.00 66.00 65.86 1sks h PRO 67 Cb 0.29 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1sks h PRO 67 CO 0.03 0.64 0.01 0.00 -0.21 0.00 0.00 178.00 178.47 1sks h ALA 68 N 1.42 0.90 -0.65 -0.75 0.00 -0.37 -2.42 119.26 117.39 1sks h ALA 68 Ca 0.12 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1sks h ALA 68 Cb 0.37 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1sks h ALA 68 CO 0.01 0.66 0.10 -0.07 0.00 0.00 0.00 179.25 179.95 1sks h LEU 69 N 0.95 1.03 0.02 0.00 3.38 -0.91 0.20 115.31 119.97 1sks h LEU 69 Ca 0.17 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1sks h LEU 69 Cb 0.53 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1sks h LEU 69 CO 0.03 1.03 -0.09 0.74 0.09 0.00 0.00 178.44 180.24 1sks h THR 70 N 0.99 0.78 -0.04 0.22 2.02 -1.33 0.50 112.91 116.06 1sks h THR 70 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 1sks h THR 70 Cb 0.44 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1sks h THR 70 CO 0.01 0.00 0.02 0.50 0.37 0.00 0.00 175.52 176.42 1sks h LYS 71 N -0.16 0.05 -0.17 6.66 3.64 -1.22 -2.64 116.57 122.73 1sks h LYS 71 Ca 0.03 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1sks h LYS 71 Cb 0.19 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1sks h LYS 71 CO -0.07 0.09 -0.22 -0.07 -2.27 0.00 0.00 179.45 176.91 1sks h LEU 72 N -0.01 0.30 -0.68 5.20 3.38 -0.49 -1.63 115.31 121.40 1sks h LEU 72 Ca 0.01 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1sks h LEU 72 Cb 0.05 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1sks h LEU 72 CO -0.00 0.53 -0.15 0.00 0.09 0.00 0.00 178.44 178.91 1sks h ALA 73 N 1.50 0.87 -0.19 1.53 0.00 -0.78 -0.08 119.26 122.10 1sks h ALA 73 Ca 0.05 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1sks h ALA 73 Cb 0.55 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1sks h ALA 73 CO 0.04 0.64 -0.22 -0.22 0.00 0.00 0.00 179.25 179.48 1sks h LYS 74 N 0.77 0.48 -0.07 0.00 1.63 -1.19 -0.30 116.57 117.90 1sks h LYS 74 Ca 0.12 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.63 1sks h LYS 74 Cb 0.68 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.32 1sks h LYS 74 CO 0.05 0.85 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.78 1sks h LEU 75 N 0.14 0.16 0.00 5.20 3.38 -1.21 -1.87 115.31 121.10 1sks h LEU 75 Ca 0.02 -0.45 -0.21 0.00 0.09 0.00 0.00 57.88 57.33 1sks h LEU 75 Cb 0.78 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1sks h LEU 75 CO 0.05 0.58 -1.31 1.56 0.09 0.00 0.00 178.44 179.41 1sks h GLN 76 N -0.26 0.00 0.00 1.13 4.20 -1.13 -3.40 115.11 115.65 1sks h GLN 76 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1sks h GLN 76 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1sks h GLN 76 CO 0.01 0.53 0.00 1.28 -0.67 0.00 0.00 178.83 179.98 1sks n LEU 77 N -3.08 0.96 -3.98 1.46 4.77 -0.73 -4.99 117.00 111.41 1sks n LEU 77 Ca -0.09 -0.96 -0.31 0.00 -0.03 0.00 0.00 56.01 54.62 1sks n LEU 77 Cb 0.92 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.02 1sks n LEU 77 CO 0.44 0.24 0.03 -3.20 -1.33 0.00 0.00 177.39 173.58 1sks n ASN 78 N -0.08 -3.77 -4.41 -1.43 5.15 -0.61 -4.95 115.26 105.17 1sks n ASN 78 Ca 0.00 -0.86 -0.30 0.00 -0.60 0.00 0.00 54.58 52.82 1sks n ASN 78 Cb 0.09 -3.55 -0.14 0.00 -0.53 0.00 0.00 39.78 35.66 1sks n ASN 78 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1sks s ARG 79 N -6.64 1.95 -0.28 1.20 3.52 -0.22 -4.93 118.95 113.54 1sks s ARG 79 Ca 0.58 -1.04 -0.20 0.00 -0.13 0.00 0.00 55.73 54.94 1sks s ARG 79 Cb -0.30 -2.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.98 1sks s ARG 79 CO 0.86 0.53 0.63 -1.21 -0.81 0.00 0.00 175.30 175.30 1sks s GLU 80 N -1.33 4.00 -0.12 5.12 0.41 -1.26 -2.62 118.70 122.89 1sks s GLU 80 Ca 0.13 0.41 -0.02 0.00 -0.41 0.00 0.00 54.97 55.09 1sks s GLU 80 Cb -0.10 -3.69 0.04 0.00 -1.78 0.00 0.00 34.13 28.59 1sks s GLU 80 CO 0.04 -0.50 -0.00 0.12 -0.49 0.00 0.00 175.26 174.43 1sks s PHE 81 N 2.56 0.93 -0.27 1.61 5.36 -1.26 -5.07 117.98 121.84 1sks s PHE 81 Ca 0.26 -0.48 -0.03 0.00 -0.96 0.00 0.00 56.93 55.71 1sks s PHE 81 Cb -0.15 -0.95 0.09 0.00 -0.34 0.00 0.00 43.02 41.67 1sks s PHE 81 CO 0.10 -0.45 0.11 -1.01 -1.46 0.00 0.00 175.22 172.51 1sks s HIS 82 N 1.89 0.71 -0.02 10.12 3.76 -1.26 -4.24 115.29 126.24 1sks s HIS 82 Ca 0.03 -1.02 -0.30 0.00 -0.15 0.00 0.00 55.06 53.62 1sks s HIS 82 Cb -0.14 -1.09 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 1sks s HIS 82 CO -0.07 -0.79 1.28 -0.51 -0.85 0.00 0.00 174.74 173.81 1sks s LEU 83 N 1.96 4.30 0.40 0.89 1.43 -1.26 -4.99 118.68 121.41 1sks s LEU 83 Ca 0.07 1.95 -0.26 0.00 -1.03 0.00 0.00 54.13 54.87 1sks s LEU 83 Cb -0.16 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 1sks s LEU 83 CO -0.28 -0.63 1.25 -2.84 0.23 0.00 0.00 176.35 174.08 1sks s PRO 84 N 2.18 4.03 0.25 1.29 0.02 -1.26 -4.92 135.00 136.60 1sks s PRO 84 Ca 0.59 2.04 -0.03 0.00 0.02 0.00 0.00 61.00 63.62 1sks s PRO 84 Cb -0.28 -2.76 0.44 0.00 0.02 0.00 0.00 34.50 31.92 1sks s PRO 84 CO 0.24 -0.40 1.79 -0.09 -0.33 0.00 0.00 177.00 178.22 1sks h ARG 85 N 2.73 0.70 0.00 5.54 2.43 -1.96 -1.90 114.38 121.92 1sks h ARG 85 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1sks h ARG 85 Cb 1.24 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1sks h ARG 85 CO 0.63 0.46 0.00 1.05 -1.51 0.00 0.00 179.97 180.60 1sks h GLU 86 N 0.72 0.00 -0.34 0.20 9.09 -2.01 -2.00 114.58 120.24 1sks h GLU 86 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 1sks h GLU 86 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 1sks h GLU 86 CO -0.29 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.86 1sks n ASN 87 N -2.80 3.07 -4.37 3.06 4.13 -0.71 -4.86 115.26 112.77 1sks n ASN 87 Ca -0.02 -1.94 -0.32 0.00 1.68 0.00 0.00 54.58 53.98 1sks n ASN 87 Cb 0.09 -0.22 -0.15 0.00 -1.54 0.00 0.00 39.78 37.96 1sks n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sks s ILE 89 N -0.21 2.13 -0.18 0.00 1.01 -0.18 -4.95 121.20 118.82 1sks s ILE 89 Ca -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1sks s ILE 89 Cb -0.13 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.58 1sks s ILE 89 CO 0.03 0.44 -0.09 -0.62 0.00 0.00 0.00 174.94 174.71 1sks s ASP 90 N -1.02 3.06 0.57 3.58 -1.08 -1.26 -1.76 116.67 118.77 1sks s ASP 90 Ca 0.11 -0.74 0.35 0.00 -0.52 0.00 0.00 52.55 51.75 1sks s ASP 90 Cb -0.10 -1.09 1.56 0.00 -1.46 0.00 0.00 42.92 41.83 1sks s ASP 90 CO 0.01 -0.15 2.06 0.71 0.52 0.00 0.00 175.17 178.32 1sks h THR 91 N 6.34 0.06 -0.11 1.71 1.35 -1.71 -1.33 112.91 119.22 1sks h THR 91 Ca -0.28 -0.45 -0.18 0.00 -0.55 0.00 0.00 66.41 64.95 1sks h THR 91 Cb 1.11 1.42 0.01 0.00 -1.73 0.00 0.00 68.15 68.96 1sks h THR 91 CO 0.45 0.02 -0.65 0.25 -0.25 0.00 0.00 175.52 175.34 1sks h LEU 92 N 0.00 0.77 -0.62 3.87 5.85 -1.91 -0.35 115.31 122.92 1sks h LEU 92 Ca -0.00 -0.65 -0.04 0.00 0.84 0.00 0.00 57.88 58.03 1sks h LEU 92 Cb 0.42 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1sks h LEU 92 CO 0.00 1.29 0.23 0.58 -0.34 0.00 0.00 178.44 180.20 1sks h VAL 93 N 0.29 1.24 -0.63 1.05 2.07 -1.84 -1.48 116.25 116.95 1sks h VAL 93 Ca -0.05 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 1sks h VAL 93 Cb 1.30 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1sks h VAL 93 CO 0.13 0.30 0.11 -0.07 0.02 0.00 0.00 177.57 178.06 1sks h LEU 94 N 0.87 1.00 -0.71 2.57 3.38 -1.21 -2.72 115.31 118.48 1sks h LEU 94 Ca 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1sks h LEU 94 Cb 0.24 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1sks h LEU 94 CO -0.01 1.00 0.35 0.28 0.09 0.00 0.00 178.44 180.15 1sks h SER 95 N 0.95 0.93 0.59 -0.43 0.02 -0.75 -0.72 113.55 114.14 1sks h SER 95 Ca 0.19 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1sks h SER 95 Cb 0.43 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1sks h SER 95 CO 0.01 0.79 -0.14 0.03 -1.14 0.00 0.00 176.83 176.38 1sks h ARG 96 N 1.00 0.00 0.00 3.45 3.08 -1.17 0.27 114.38 121.01 1sks h ARG 96 Ca 0.25 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 1sks h ARG 96 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1sks h ARG 96 CO -0.03 0.14 -0.33 1.25 -1.07 0.00 0.00 179.97 179.93 1sks h LEU 97 N 0.00 0.00 -0.49 3.04 5.85 -1.11 -3.15 115.31 119.45 1sks h LEU 97 Ca -0.00 -0.74 -0.12 0.00 0.84 0.00 0.00 57.88 57.85 1sks h LEU 97 Cb 0.48 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1sks h LEU 97 CO 0.02 1.06 -0.59 0.40 -0.34 0.00 0.00 178.44 178.99 1sks h ILE 98 N -1.00 1.18 -1.42 4.05 2.04 -1.09 -3.28 117.51 117.98 1sks h ILE 98 Ca -0.09 -2.22 -0.59 0.00 1.00 0.00 0.00 64.86 62.96 1sks h ILE 98 Cb 0.96 2.29 -0.41 0.00 -0.74 0.00 0.00 36.82 38.91 1sks h ILE 98 CO -0.05 0.58 -0.62 1.41 0.00 0.00 0.00 178.15 179.46 1sks n HIS 99 N -3.48 3.29 0.30 1.37 8.25 0.95 -4.83 115.22 121.06 1sks n HIS 99 Ca 0.00 -2.94 0.18 0.00 -0.26 0.00 0.00 57.72 54.70 1sks n HIS 99 Cb 0.68 -0.20 0.85 0.00 1.12 0.00 0.00 29.99 32.44 1sks n HIS 99 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sks h SER 100 N 2.54 0.00 -0.01 0.41 4.64 -1.61 -2.23 113.55 117.28 1sks h SER 100 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1sks h SER 100 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1sks h SER 100 CO 0.88 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.38 1sks n ASN 101 N -2.86 0.43 -4.52 4.97 6.94 -1.26 -4.20 115.26 114.77 1sks n ASN 101 Ca -0.01 -1.19 -0.26 0.00 -0.02 0.00 0.00 54.58 53.10 1sks n ASN 101 Cb 0.17 -0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.48 1sks n ASN 101 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1sks s LEU 102 N -1.94 2.78 0.54 -4.53 1.43 -0.84 -5.03 118.68 111.09 1sks s LEU 102 Ca 0.43 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1sks s LEU 102 Cb 0.21 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 45.03 1sks s LEU 102 CO 0.34 0.09 0.74 -0.54 0.23 0.00 0.00 176.35 177.22 1sks s LYS 103 N -2.95 2.50 0.09 1.70 -0.14 -1.26 -5.04 119.74 114.64 1sks s LYS 103 Ca 0.25 -1.03 -0.08 0.00 -1.36 0.00 0.00 55.97 53.75 1sks s LYS 103 Cb -0.08 -2.56 -0.01 0.00 -1.68 0.00 0.00 37.83 33.50 1sks s LYS 103 CO 0.14 -0.69 0.17 0.16 -0.76 0.00 0.00 175.35 174.37 1sks s ASP 104 N -4.46 0.16 0.00 2.83 1.47 -1.26 -4.70 116.67 110.71 1sks s ASP 104 Ca 0.58 -0.70 0.20 0.00 1.18 0.00 0.00 52.55 53.82 1sks s ASP 104 Cb -0.09 0.33 0.95 0.00 -0.34 0.00 0.00 42.92 43.77 1sks s ASP 104 CO 0.38 -0.72 1.64 0.35 0.68 0.00 0.00 175.17 177.50 1sks n THR 105 N -0.04 0.48 -3.40 2.11 -2.24 -1.26 -4.89 114.28 105.04 1sks n THR 105 Ca -0.15 0.12 -0.18 0.00 -2.27 0.00 0.00 64.05 61.57 1sks n THR 105 Cb 0.62 -0.78 0.07 0.00 -2.10 0.00 0.00 70.33 68.14 1sks n THR 105 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1sks n ASP 106 N -1.37 -4.57 -3.43 3.42 2.03 -1.26 -1.55 116.55 109.82 1sks n ASP 106 Ca 0.08 -0.73 -0.22 0.00 0.52 0.00 0.00 54.79 54.43 1sks n ASP 106 Cb 0.19 -4.86 0.08 0.00 -0.72 0.00 0.00 41.12 35.80 1sks n ASP 106 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1sks n MET 107 N -3.71 -7.52 -1.32 -0.67 2.81 -1.26 -3.04 117.12 102.41 1sks n MET 107 Ca -0.16 0.79 -0.08 0.00 -1.81 0.00 0.00 57.70 56.44 1sks n MET 107 Cb 0.64 -5.71 -0.03 0.00 -0.71 0.00 0.00 33.22 27.41 1sks n MET 107 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sks n GLY 108 N -1.90 0.87 0.10 3.03 0.00 -1.13 -4.91 105.19 101.26 1sks n GLY 108 Ca -0.01 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.36 1sks n GLY 108 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sks h LEU 109 N 0.00 0.00 -9.30 0.99 3.38 -1.24 -3.46 115.31 105.67 1sks h LEU 109 Ca -0.16 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.14 1sks h LEU 109 Cb 0.56 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.16 1sks h LEU 109 CO 0.23 0.41 -0.68 -0.76 0.09 0.00 0.00 178.44 177.73 1sks s LEU 110 N -5.69 3.32 -0.20 1.67 1.43 -0.59 -5.07 118.68 113.55 1sks s LEU 110 Ca -0.02 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.67 1sks s LEU 110 Cb 0.09 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1sks s LEU 110 CO 0.80 0.26 1.08 -0.13 0.23 0.00 0.00 176.35 178.59 1sks s ARG 111 N -1.66 4.28 0.25 1.70 0.52 -1.26 -4.75 118.95 118.02 1sks s ARG 111 Ca 0.20 1.43 -0.12 0.00 -0.52 0.00 0.00 55.73 56.72 1sks s ARG 111 Cb -0.11 -3.65 0.35 0.00 0.52 0.00 0.00 34.95 32.06 1sks s ARG 111 CO 0.11 -0.60 1.58 0.77 0.02 0.00 0.00 175.30 177.17 1sks h SER 112 N 7.54 -0.96 -0.78 0.23 0.02 -1.95 -0.35 113.55 117.31 1sks h SER 112 Ca -0.22 0.27 0.23 0.00 -0.84 0.00 0.00 61.79 61.22 1sks h SER 112 Cb 1.08 0.59 -0.03 0.00 0.14 0.00 0.00 62.40 64.18 1sks h SER 112 CO 0.96 -0.29 0.62 1.23 -1.14 0.00 0.00 176.83 178.21 1sks h GLY 113 N -0.01 0.00 1.49 -3.77 0.00 -2.02 -2.24 103.07 96.52 1sks h GLY 113 Ca 0.40 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.46 1sks h GLY 113 CO -0.91 0.00 -1.35 0.07 0.00 0.00 0.00 176.54 174.35 1sks h LYS 114 N 0.00 0.17 -6.80 4.80 2.10 -1.46 -3.46 116.57 111.93 1sks h LYS 114 Ca 0.37 -0.29 -0.53 0.00 -2.00 0.00 0.00 60.65 58.20 1sks h LYS 114 Cb 1.61 0.11 0.07 0.00 -0.90 0.00 0.00 32.23 33.12 1sks h LYS 114 CO -0.00 1.05 0.75 -0.51 -2.00 0.00 0.00 179.45 178.74 1sks s LEU 115 N -6.87 4.38 0.75 7.07 1.43 -0.84 -5.01 118.68 119.58 1sks s LEU 115 Ca -0.05 2.74 -0.10 0.00 -1.03 0.00 0.00 54.13 55.69 1sks s LEU 115 Cb 0.08 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.72 1sks s LEU 115 CO 0.85 -0.72 1.10 -2.16 0.23 0.00 0.00 176.35 175.66 1sks s PRO 116 N -0.82 2.28 2.15 1.29 0.04 -1.26 -4.95 135.00 133.73 1sks s PRO 116 Ca 0.57 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1sks s PRO 116 Cb -0.43 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1sks s PRO 116 CO 0.48 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.60 1sks n GLY 117 N -3.10 -0.59 3.95 0.56 0.00 -1.26 -4.68 105.19 100.08 1sks n GLY 117 Ca 0.07 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 1sks n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sks s ALA 124 N -1.77 3.75 0.01 4.61 0.00 -1.26 -5.04 121.76 122.07 1sks s ALA 124 Ca 0.00 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.95 1sks s ALA 124 Cb 0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 1sks s ALA 124 CO 0.00 -0.45 -0.19 -0.51 0.00 0.00 0.00 175.76 174.61 1sks s LEU 125 N -4.61 2.10 0.06 0.00 1.43 -1.26 -4.39 118.68 112.01 1sks s LEU 125 Ca 0.50 -0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 52.87 1sks s LEU 125 Cb -0.10 -0.94 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 1sks s LEU 125 CO 0.38 0.18 1.73 -0.70 0.23 0.00 0.00 176.35 178.18 1sks s GLU 126 N -0.81 4.17 0.14 1.70 -6.30 -1.26 -4.91 118.70 111.44 1sks s GLU 126 Ca 0.07 2.41 -0.25 0.00 -2.50 0.00 0.00 54.97 54.70 1sks s GLU 126 Cb -0.08 -3.71 -0.01 0.00 0.00 0.00 0.00 34.13 30.33 1sks s GLU 126 CO 0.00 -0.80 1.61 0.00 0.02 0.00 0.00 175.26 176.10 1sks h ALA 127 N 8.81 -0.32 -0.48 6.30 0.00 -1.98 0.50 119.26 132.08 1sks h ALA 127 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1sks h ALA 127 Cb 1.21 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1sks h ALA 127 CO 0.94 -0.77 0.31 -1.49 0.00 0.00 0.00 179.25 178.24 1sks h TRP 128 N -0.36 0.62 -0.43 0.00 -0.00 -1.96 -1.35 115.95 112.46 1sks h TRP 128 Ca 0.10 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.97 1sks h TRP 128 Cb 0.53 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.16 29.46 1sks h TRP 128 CO -0.40 0.40 0.11 0.78 -0.00 0.00 0.00 178.44 179.32 1sks h GLY 129 N 0.65 0.68 0.97 1.49 0.00 -1.90 -2.05 103.07 102.90 1sks h GLY 129 Ca 0.18 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1sks h GLY 129 CO -0.04 0.34 0.03 -1.82 0.00 0.00 0.00 176.54 175.05 1sks h TYR 130 N 0.62 0.82 -0.74 5.60 3.20 -0.22 -2.13 116.97 124.12 1sks h TYR 130 Ca 0.14 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1sks h TYR 130 Cb 0.23 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 1sks h TYR 130 CO 0.01 0.80 0.45 0.00 -1.64 0.00 0.00 178.16 177.77 1sks h ARG 131 N 0.61 1.01 -0.50 1.82 2.47 -0.72 -1.82 114.38 117.25 1sks h ARG 131 Ca 0.13 -0.09 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 1sks h ARG 131 Cb 0.45 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 1sks h ARG 131 CO 0.02 0.72 -0.05 -0.07 0.56 0.00 0.00 179.97 181.14 1sks h LEU 132 N 1.02 0.86 -0.77 3.04 3.38 -1.30 -2.56 115.31 118.97 1sks h LEU 132 Ca 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1sks h LEU 132 Cb -0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1sks h LEU 132 CO -0.05 0.95 -0.06 1.23 0.09 0.00 0.00 178.44 180.61 1sks h GLY 133 N 0.98 0.00 -1.61 0.83 0.00 -1.06 -3.18 103.07 99.03 1sks h GLY 133 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1sks h GLY 133 CO 0.03 0.00 -0.10 1.18 0.00 0.00 0.00 176.54 177.65 1sks n GLU 134 N -3.14 2.04 -0.04 4.80 -0.58 -0.71 -3.07 120.64 119.93 1sks n GLU 134 Ca 0.02 -1.66 -0.08 0.00 -0.42 0.00 0.00 57.16 55.02 1sks n GLU 134 Cb 0.43 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.81 1sks n GLU 134 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1sks h MET 135 N 4.04 0.02 -0.12 3.49 2.86 -1.44 -0.99 114.93 122.79 1sks h MET 135 Ca 0.00 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1sks h MET 135 Cb 0.91 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 1sks h MET 135 CO 0.00 0.01 -0.08 0.87 1.06 0.00 0.00 176.91 178.77 1sks h LYS 136 N 0.02 -0.08 0.00 1.72 1.57 -1.82 0.36 116.57 118.33 1sks h LYS 136 Ca 0.10 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1sks h LYS 136 Cb 0.15 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1sks h LYS 136 CO -0.20 -0.05 -0.10 0.78 -0.57 0.00 0.00 179.45 179.31 1sks h GLY 137 N -0.08 0.00 0.41 3.86 0.00 -1.83 -0.35 103.07 105.07 1sks h GLY 137 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 1sks h GLY 137 CO -0.17 0.00 -0.57 -2.09 0.00 0.00 0.00 176.54 173.71 1sks h GLU 138 N 0.00 0.18 -0.54 4.80 4.81 0.01 -2.85 114.58 120.99 1sks h GLU 138 Ca -0.00 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1sks h GLU 138 Cb 0.30 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1sks h GLU 138 CO 0.01 1.15 0.36 -0.92 -0.73 0.00 0.00 179.01 178.87 1sks h TYR 139 N -0.62 0.66 -0.30 0.92 3.20 -0.07 -1.44 116.97 119.33 1sks h TYR 139 Ca -0.11 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.68 1sks h TYR 139 Cb 1.41 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 1sks h TYR 139 CO 0.22 0.41 -0.23 -0.22 -1.64 0.00 0.00 178.16 176.70 1sks h LYS 140 N 0.71 0.57 0.01 1.82 3.64 -1.13 -1.59 116.57 120.60 1sks h LYS 140 Ca 0.20 -0.21 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 1sks h LYS 140 Cb -0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1sks h LYS 140 CO -0.05 0.76 -0.92 -0.44 -2.27 0.00 0.00 179.45 176.53 1sks h ASP 141 N 0.50 0.19 -0.27 4.20 3.32 -1.06 -2.12 116.42 121.17 1sks h ASP 141 Ca 0.07 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 1sks h ASP 141 Cb 0.67 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1sks h ASP 141 CO 0.05 1.01 -0.12 0.44 -1.72 0.00 0.00 179.24 178.90 1sks h ASP 142 N 0.07 0.58 -0.24 6.45 5.19 -1.15 -2.48 116.42 124.83 1sks h ASP 142 Ca -0.04 -0.40 0.01 0.00 -0.62 0.00 0.00 57.03 55.97 1sks h ASP 142 Cb 1.57 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.91 1sks h ASP 142 CO 0.14 0.85 0.15 0.15 -3.12 0.00 0.00 179.24 177.41 1sks h PHE 143 N 0.31 0.29 0.08 4.55 3.57 -1.30 -1.66 116.94 122.77 1sks h PHE 143 Ca 0.06 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1sks h PHE 143 Cb 0.63 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1sks h PHE 143 CO 0.06 0.18 -0.19 0.87 -2.23 0.00 0.00 178.31 177.00 1sks h LYS 144 N 0.31 -0.33 -0.94 1.11 1.57 -1.34 -1.78 116.57 115.16 1sks h LYS 144 Ca 0.09 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 1sks h LYS 144 Cb -0.02 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 1sks h LYS 144 CO -0.03 -0.22 0.61 0.07 -0.57 0.00 0.00 179.45 179.30 1sks h ARG 145 N -0.35 0.98 -0.21 3.15 0.11 -1.30 0.51 114.38 117.27 1sks h ARG 145 Ca 0.03 -0.06 0.06 0.00 0.10 0.00 0.00 59.98 60.11 1sks h ARG 145 Cb 0.38 -0.22 -0.06 0.00 1.11 0.00 0.00 29.97 31.18 1sks h ARG 145 CO -0.12 0.65 -0.18 0.52 0.10 0.00 0.00 179.97 180.94 1sks h MET 146 N 1.01 -0.18 -0.03 0.08 2.86 -0.48 0.39 114.93 118.58 1sks h MET 146 Ca 0.43 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 58.05 1sks h MET 146 Cb 0.31 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1sks h MET 146 CO -0.18 -0.12 -0.10 -0.07 1.06 0.00 0.00 176.91 177.50 1sks h LEU 147 N -0.18 0.14 -1.88 1.22 3.38 -0.63 -2.90 115.31 114.46 1sks h LEU 147 Ca 0.13 -0.62 0.15 0.00 0.09 0.00 0.00 57.88 57.62 1sks h LEU 147 Cb 0.37 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1sks h LEU 147 CO -0.32 0.74 0.55 -0.33 0.09 0.00 0.00 178.44 179.17 1sks h GLU 148 N -0.46 0.00 0.14 1.13 4.39 0.18 0.48 114.58 120.44 1sks h GLU 148 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.40 1sks h GLU 148 Cb 0.73 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1sks h GLU 148 CO 0.02 0.00 -1.37 0.93 -1.16 0.00 0.00 179.01 177.43 1sks h GLU 149 N 0.00 0.30 -0.97 2.33 5.08 -0.84 -3.30 114.58 117.18 1sks h GLU 149 Ca 0.25 -0.52 -0.15 0.00 -1.00 0.00 0.00 59.36 57.94 1sks h GLU 149 Cb 1.34 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 30.69 1sks h GLU 149 CO -0.00 1.22 0.19 1.04 -1.00 0.00 0.00 179.01 180.46 1sks n GLN 150 N -3.53 1.60 -2.23 2.33 1.13 0.16 -4.85 117.38 111.99 1sks n GLN 150 Ca -0.12 -1.07 -0.13 0.00 -1.94 0.00 0.00 57.00 53.74 1sks n GLN 150 Cb 1.04 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.90 1sks n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sks n GLY 151 N -0.03 -0.16 4.01 1.08 0.00 -1.04 -4.96 105.19 104.09 1sks n GLY 151 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1sks n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sks s GLU 152 N -4.66 2.44 -0.04 1.61 2.02 -0.84 -5.03 118.70 114.20 1sks s GLU 152 Ca 0.00 -1.34 0.03 0.00 0.02 0.00 0.00 54.97 53.68 1sks s GLU 152 Cb 0.00 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.57 1sks s GLU 152 CO 0.00 -0.71 -0.10 -1.21 0.02 0.00 0.00 175.26 173.26 1sks s GLU 153 N -4.63 2.58 0.23 1.61 2.02 -1.26 -4.42 118.70 114.84 1sks s GLU 153 Ca 0.59 -0.66 -0.08 0.00 0.02 0.00 0.00 54.97 54.84 1sks s GLU 153 Cb -0.08 -2.47 -0.07 0.00 0.10 0.00 0.00 34.13 31.61 1sks s GLU 153 CO 0.37 0.63 0.53 -0.47 0.02 0.00 0.00 175.26 176.34 1sks s TYR 154 N -0.83 3.44 0.07 1.61 5.04 -1.26 -5.02 117.35 120.40 1sks s TYR 154 Ca 0.13 0.79 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 1sks s TYR 154 Cb -0.11 -2.20 -0.04 0.00 0.35 0.00 0.00 41.96 39.96 1sks s TYR 154 CO 0.03 0.27 -0.05 0.08 -1.34 0.00 0.00 175.55 174.53 1sks s VAL 155 N -1.85 0.47 0.00 3.14 1.01 -1.26 -5.09 120.40 116.82 1sks s VAL 155 Ca 0.46 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1sks s VAL 155 Cb -0.11 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1sks s VAL 155 CO 0.23 -0.86 0.00 0.47 0.00 0.00 0.00 175.10 174.95 1sks n ASP 156 N 0.24 0.00 -2.62 3.32 10.43 -1.26 -2.59 116.55 124.07 1sks n ASP 156 Ca -0.14 0.00 -0.13 0.00 2.57 0.00 0.00 54.79 57.09 1sks n ASP 156 Cb 0.60 0.00 0.02 0.00 1.84 0.00 0.00 41.12 43.58 1sks n ASP 156 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sks n GLY 157 N 0.00 2.54 0.05 0.44 0.00 -1.26 -4.88 105.19 102.08 1sks n GLY 157 Ca 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.44 1sks n GLY 157 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1sks n MET 158 N -0.17 0.04 0.29 1.61 0.00 -1.07 -1.27 117.12 116.56 1sks n MET 158 Ca 0.16 0.54 0.17 0.00 0.00 0.00 0.00 57.70 58.57 1sks n MET 158 Cb 0.79 -1.65 0.90 0.00 0.00 0.00 0.00 33.22 33.25 1sks n MET 158 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 1sks h GLU 159 N 0.00 0.00 -0.02 3.17 9.09 -1.90 -2.62 114.58 122.30 1sks h GLU 159 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1sks h GLU 159 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 1sks h GLU 159 CO 0.00 0.05 -0.16 0.91 0.05 0.00 0.00 179.01 179.86 1sks n TRP 160 N -3.37 0.00 0.02 2.06 7.02 -0.40 -4.53 117.44 118.26 1sks n TRP 160 Ca -0.02 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.37 1sks n TRP 160 Cb 0.18 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.12 1sks n TRP 160 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 1sks h TRP 161 N 3.34 0.63 -3.76 -5.99 6.55 -1.60 -3.39 115.95 111.73 1sks h TRP 161 Ca 0.00 -0.24 -0.41 0.00 0.95 0.00 0.00 58.89 59.19 1sks h TRP 161 Cb 0.79 -0.11 -0.20 0.00 -0.86 0.00 0.00 29.16 28.78 1sks h TRP 161 CO 0.00 0.98 -0.77 -0.80 -1.05 0.00 0.00 178.44 176.80 1sks s ASN 162 N -6.94 1.82 0.28 -3.49 0.01 -1.26 -5.00 114.94 100.36 1sks s ASN 162 Ca -0.07 -0.72 -0.29 0.00 -0.71 0.00 0.00 52.86 51.07 1sks s ASN 162 Cb 0.11 -0.05 -0.09 0.00 0.41 0.00 0.00 41.25 41.62 1sks s ASN 162 CO 0.84 -0.12 1.02 0.12 -1.51 0.00 0.00 177.10 177.45 1sks s PHE 163 N -1.77 3.73 0.27 2.20 5.36 -1.26 -5.02 117.98 121.49 1sks s PHE 163 Ca 0.04 1.79 -0.12 0.00 -0.96 0.00 0.00 56.93 57.67 1sks s PHE 163 Cb -0.07 -3.13 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 1sks s PHE 163 CO 0.02 -0.10 0.51 0.54 -1.46 0.00 0.00 175.22 174.74 1sks s ASN 164 N -1.10 0.01 0.33 6.13 2.20 -1.26 -5.07 114.94 116.18 1sks s ASN 164 Ca 0.44 -0.98 0.11 0.00 -0.94 0.00 0.00 52.86 51.49 1sks s ASN 164 Cb -0.28 0.62 0.57 0.00 -2.00 0.00 0.00 41.25 40.17 1sks s ASN 164 CO 0.35 -1.21 1.75 -0.33 -2.94 0.00 0.00 177.10 174.72 1sks h GLU 165 N 2.20 0.06 -0.53 3.55 4.39 -2.00 -2.85 114.58 119.41 1sks h GLU 165 Ca -0.26 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.32 1sks h GLU 165 Cb 1.25 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1sks h GLU 165 CO 0.35 0.49 -0.01 0.93 -1.16 0.00 0.00 179.01 179.60 1sks h GLU 166 N 0.05 0.95 -0.34 2.33 3.07 -1.99 -1.72 114.58 116.93 1sks h GLU 166 Ca 0.00 -0.31 0.02 0.00 -0.50 0.00 0.00 59.36 58.57 1sks h GLU 166 Cb 0.79 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.59 1sks h GLU 166 CO 0.06 0.97 0.19 1.98 -1.40 0.00 0.00 179.01 180.81 1sks h MET 167 N 0.82 0.39 -0.57 2.33 1.85 -1.93 -1.70 114.93 116.12 1sks h MET 167 Ca 0.15 -0.02 0.01 0.00 -0.61 0.00 0.00 59.70 59.23 1sks h MET 167 Cb 0.55 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.46 1sks h MET 167 CO 0.03 0.26 0.37 1.98 -0.40 0.00 0.00 176.91 179.14 1sks h MET 168 N 0.40 0.72 -0.78 0.39 -1.53 -1.35 -1.63 114.93 111.16 1sks h MET 168 Ca 0.14 -0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.38 1sks h MET 168 Cb 0.01 -0.16 -0.04 0.00 -0.55 0.00 0.00 31.60 30.86 1sks h MET 168 CO -0.07 0.48 0.51 -0.44 0.14 0.00 0.00 176.91 177.53 1sks h ASP 169 N 0.75 0.84 -0.00 1.39 3.32 -0.70 -1.21 116.42 120.81 1sks h ASP 169 Ca 0.22 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 1sks h ASP 169 Cb -0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1sks h ASP 169 CO -0.06 0.59 -0.49 1.88 -1.72 0.00 0.00 179.24 179.43 1sks h TYR 170 N 0.98 0.69 -0.66 4.55 0.05 -0.81 -2.33 116.97 119.44 1sks h TYR 170 Ca 0.30 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1sks h TYR 170 Cb 0.00 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 1sks h TYR 170 CO -0.00 0.94 0.36 -0.97 -1.05 0.00 0.00 178.16 177.44 1sks h ASN 171 N 0.45 0.83 -0.49 3.88 -0.00 -0.41 0.70 115.58 120.55 1sks h ASN 171 Ca 0.02 -0.10 -0.07 0.00 -0.00 0.00 0.00 56.30 56.15 1sks h ASN 171 Cb 1.02 -0.21 -0.02 0.00 -0.00 0.00 0.00 38.32 39.10 1sks h ASN 171 CO 0.09 0.70 0.06 0.58 -0.00 0.00 0.00 177.43 178.86 1sks h VAL 172 N 0.91 1.24 -0.37 2.57 2.07 -1.15 -2.68 116.25 118.84 1sks h VAL 172 Ca 0.23 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.68 1sks h VAL 172 Cb 0.05 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1sks h VAL 172 CO -0.04 0.35 -0.23 -0.61 0.02 0.00 0.00 177.57 177.06 1sks h GLN 173 N 0.83 0.73 -0.42 1.57 5.75 -0.78 -2.57 115.11 120.21 1sks h GLN 173 Ca 0.17 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.33 1sks h GLN 173 Cb 0.40 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1sks h GLN 173 CO 0.01 0.89 0.05 -0.44 -2.65 0.00 0.00 178.83 176.69 1sks h ASP 174 N 0.64 0.61 0.20 -0.69 3.32 -0.59 -1.84 116.42 118.07 1sks h ASP 174 Ca 0.09 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.84 1sks h ASP 174 Cb 0.73 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1sks h ASP 174 CO 0.06 0.65 -0.72 0.58 -1.72 0.00 0.00 179.24 178.08 1sks h VAL 175 N 0.63 1.36 -0.17 -1.35 2.07 -1.26 0.31 116.25 117.84 1sks h VAL 175 Ca 0.14 -2.10 -0.13 0.00 0.82 0.00 0.00 66.70 65.42 1sks h VAL 175 Cb 0.32 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1sks h VAL 175 CO 0.01 0.64 -0.46 -0.37 0.02 0.00 0.00 177.57 177.40 1sks h VAL 176 N 0.31 1.32 -0.09 2.57 -1.51 -1.17 -1.41 116.25 116.27 1sks h VAL 176 Ca -0.03 -1.66 -0.15 0.00 -1.23 0.00 0.00 66.70 63.62 1sks h VAL 176 Cb 1.30 1.70 0.01 0.00 -2.13 0.00 0.00 31.29 32.17 1sks h VAL 176 CO 0.13 0.51 -0.55 0.58 -1.23 0.00 0.00 177.57 177.01 1sks h VAL 177 N 0.34 1.37 -0.89 7.19 2.07 -1.29 -1.86 116.25 123.17 1sks h VAL 177 Ca 0.02 -1.88 0.04 0.00 0.82 0.00 0.00 66.70 65.70 1sks h VAL 177 Cb 0.94 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.90 1sks h VAL 177 CO 0.08 0.56 0.58 0.74 0.02 0.00 0.00 177.57 179.56 1sks h THR 178 N 0.12 1.15 -0.27 2.57 2.02 -0.86 0.22 112.91 117.86 1sks h THR 178 Ca -0.04 -0.38 -0.12 0.00 0.77 0.00 0.00 66.41 66.64 1sks h THR 178 Cb 1.20 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1sks h THR 178 CO 0.11 0.20 -0.34 0.50 0.37 0.00 0.00 175.52 176.37 1sks h LYS 179 N 1.11 0.58 -0.32 6.66 3.64 -1.23 -0.03 116.57 126.98 1sks h LYS 179 Ca 0.35 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1sks h LYS 179 Cb 0.02 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1sks h LYS 179 CO -0.11 0.84 -0.21 0.00 -2.27 0.00 0.00 179.45 177.71 1sks h ALA 180 N 1.14 0.46 -0.24 5.00 0.00 -0.27 -2.32 119.26 123.04 1sks h ALA 180 Ca 0.06 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1sks h ALA 180 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1sks h ALA 180 CO 0.07 0.41 0.14 1.25 0.00 0.00 0.00 179.25 181.11 1sks h LEU 181 N 0.47 0.30 0.01 0.00 6.46 -0.48 -1.66 115.31 120.40 1sks h LEU 181 Ca 0.06 -0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1sks h LEU 181 Cb 0.76 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.56 1sks h LEU 181 CO 0.06 0.28 -0.39 0.25 -0.62 0.00 0.00 178.44 178.01 1sks h LEU 182 N 0.29 -1.19 -1.60 2.25 5.85 -0.91 0.19 115.31 120.18 1sks h LEU 182 Ca 0.09 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1sks h LEU 182 Cb 0.05 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1sks h LEU 182 CO -0.01 -0.44 0.23 -0.33 -0.34 0.00 0.00 178.44 177.54 1sks h GLU 183 N -0.56 0.50 -0.45 1.25 5.08 -1.33 0.13 114.58 119.20 1sks h GLU 183 Ca 0.05 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1sks h GLU 183 Cb 0.63 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1sks h GLU 183 CO -0.30 0.34 -0.29 -0.22 -1.00 0.00 0.00 179.01 177.55 1sks h LYS 184 N 0.51 0.98 -0.39 2.33 3.64 -0.35 -2.44 116.57 120.86 1sks h LYS 184 Ca 0.14 -0.46 -0.13 0.00 -1.27 0.00 0.00 60.65 58.92 1sks h LYS 184 Cb -0.03 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1sks h LYS 184 CO -0.03 1.13 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.94 1sks h LEU 185 N 0.83 0.92 -0.08 5.20 3.38 0.43 -2.94 115.31 123.05 1sks h LEU 185 Ca 0.09 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1sks h LEU 185 Cb 0.88 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1sks h LEU 185 CO 0.08 1.15 0.00 0.18 0.09 0.00 0.00 178.44 179.94 1sks n LEU 186 N -4.17 0.09 -0.21 1.67 4.77 0.35 -2.46 117.00 117.04 1sks n LEU 186 Ca -0.02 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.61 1sks n LEU 186 Cb 0.48 -0.50 0.64 0.00 -2.33 0.00 0.00 43.42 41.70 1sks n LEU 186 CO 0.46 -0.24 0.92 -1.54 -1.33 0.00 0.00 177.39 175.66 1sks n SER 187 N -1.60 0.65 -4.51 -1.43 3.41 -0.92 -4.72 113.62 104.49 1sks n SER 187 Ca 0.04 -1.36 -0.43 0.00 -0.26 0.00 0.00 58.87 56.86 1sks n SER 187 Cb 0.21 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1sks n SER 187 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sks s ASP 188 N -1.80 6.27 0.51 4.04 -1.08 -1.03 -4.92 116.67 118.66 1sks s ASP 188 Ca 0.37 -0.54 0.22 0.00 -0.52 0.00 0.00 52.55 52.08 1sks s ASP 188 Cb 0.18 -2.45 1.32 0.00 -1.46 0.00 0.00 42.92 40.51 1sks s ASP 188 CO 0.30 -1.38 2.02 0.07 0.52 0.00 0.00 175.17 176.70 1sks h LYS 189 N 9.48 0.06 -0.82 4.34 5.09 -1.85 -1.04 116.57 131.84 1sks h LYS 189 Ca -0.27 -0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.45 1sks h LYS 189 Cb 1.07 -0.01 -0.04 0.00 0.10 0.00 0.00 32.23 33.35 1sks h LYS 189 CO 1.14 0.04 0.44 1.25 -2.09 0.00 0.00 179.45 180.23 1sks h HIS 190 N 0.06 1.12 0.00 0.07 6.17 -1.98 -3.25 115.15 117.33 1sks h HIS 190 Ca 0.21 -0.03 -0.26 0.00 0.71 0.00 0.00 60.37 61.00 1sks h HIS 190 Cb 0.77 -0.36 -0.05 0.00 2.52 0.00 0.00 27.41 30.30 1sks h HIS 190 CO -0.00 0.78 -2.06 0.66 0.71 0.00 0.00 177.93 178.02 1sks n TYR 191 N -4.34 0.31 -3.78 5.26 4.02 -0.89 -4.78 117.16 112.97 1sks n TYR 191 Ca 0.08 0.11 -0.30 0.00 -0.01 0.00 0.00 57.90 57.79 1sks n TYR 191 Cb 0.10 -0.96 -0.15 0.00 -0.02 0.00 0.00 39.34 38.31 1sks n TYR 191 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1sks s PHE 192 N -2.75 1.86 0.05 -0.72 0.08 -0.45 -1.57 117.98 114.48 1sks s PHE 192 Ca -0.08 -1.73 -0.38 0.00 0.12 0.00 0.00 56.93 54.86 1sks s PHE 192 Cb 0.08 -1.71 -0.19 0.00 -0.57 0.00 0.00 43.02 40.63 1sks s PHE 192 CO 0.84 -0.84 1.07 -2.30 -0.10 0.00 0.00 175.22 173.89 1sks n PRO 193 N 4.81 0.29 0.21 0.24 -0.02 -1.26 -4.24 135.00 135.03 1sks n PRO 193 Ca -0.03 0.10 0.06 0.00 -2.02 0.00 0.00 63.50 61.61 1sks n PRO 193 Cb 0.43 -1.58 0.55 0.00 -0.02 0.00 0.00 33.50 32.87 1sks n PRO 193 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1sks h PRO 194 N 3.12 0.06 0.00 0.52 0.11 -1.94 -2.92 132.00 130.94 1sks h PRO 194 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sks h PRO 194 Cb 1.41 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1sks h PRO 194 CO 0.67 0.13 0.00 0.39 -0.21 0.00 0.00 178.00 178.98 1sks n GLU 195 N -4.42 0.22 -4.57 1.05 4.71 -1.26 -4.69 120.64 111.67 1sks n GLU 195 Ca -0.02 0.13 -0.33 0.00 -0.01 0.00 0.00 57.16 56.93 1sks n GLU 195 Cb 0.17 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 28.97 1sks n GLU 195 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1sks s ILE 196 N -2.62 3.55 -0.51 -3.67 1.01 -1.11 -5.07 121.20 112.79 1sks s ILE 196 Ca 0.16 -0.49 -0.21 0.00 0.00 0.00 0.00 60.65 60.11 1sks s ILE 196 Cb 0.12 -2.52 0.05 0.00 0.01 0.00 0.00 42.46 40.11 1sks s ILE 196 CO 0.27 0.52 0.72 -0.62 0.00 0.00 0.00 174.94 175.83 1sks s ASP 197 N 0.21 6.28 0.00 3.58 -1.08 -1.26 -4.91 116.67 119.49 1sks s ASP 197 Ca -0.05 -0.64 0.26 0.00 -0.52 0.00 0.00 52.55 51.61 1sks s ASP 197 Cb -0.14 -2.34 1.53 0.00 -1.46 0.00 0.00 42.92 40.51 1sks s ASP 197 CO 0.04 -0.97 1.92 0.49 0.52 0.00 0.00 175.17 177.17 1sks n PHE 198 N 6.56 0.00 1.11 -5.34 3.01 -1.26 -2.48 117.46 119.06 1sks n PHE 198 Ca -0.03 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.55 1sks n PHE 198 Cb 0.46 -0.04 0.27 0.00 -0.01 0.00 0.00 39.48 40.16 1sks n PHE 198 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1sks n THR 199 N -1.04 0.07 -2.48 4.37 -2.24 -1.26 -4.28 114.28 107.41 1sks n THR 199 Ca 0.19 -0.43 -0.06 0.00 -2.27 0.00 0.00 64.05 61.47 1sks n THR 199 Cb 0.11 1.03 0.05 0.00 -2.10 0.00 0.00 70.33 69.42 1sks n THR 199 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1sks n ASP 200 N 0.90 2.50 -4.24 3.42 2.03 -1.03 -4.19 116.55 115.94 1sks n ASP 200 Ca 0.16 -2.64 -0.14 0.00 0.52 0.00 0.00 54.79 52.69 1sks n ASP 200 Cb 0.50 -0.42 -0.10 0.00 -0.72 0.00 0.00 41.12 40.38 1sks n ASP 200 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1sks s VAL 201 N -3.58 1.11 0.78 5.18 -7.23 -1.26 -4.99 120.40 110.41 1sks s VAL 201 Ca 0.36 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 1sks s VAL 201 Cb 0.36 -1.81 0.06 0.00 0.56 0.00 0.00 36.38 35.55 1sks s VAL 201 CO -0.03 -0.75 1.15 -0.83 -0.31 0.00 0.00 175.10 174.32 1sks s GLY 202 N -3.12 1.60 0.23 2.32 0.00 -1.26 -4.74 107.32 102.36 1sks s GLY 202 Ca 0.16 -0.52 -0.08 0.00 0.00 0.00 0.00 44.72 44.27 1sks s GLY 202 CO -0.00 -0.08 1.89 0.10 0.00 0.00 0.00 173.10 175.02 1sks h TYR 203 N -0.93 1.07 -0.93 1.90 -0.00 -1.58 -2.13 116.97 114.37 1sks h TYR 203 Ca -0.46 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.29 1sks h TYR 203 Cb 1.30 -0.36 -0.04 0.00 0.00 0.00 0.00 36.73 37.63 1sks h TYR 203 CO 0.38 0.65 0.55 1.79 -0.00 0.00 0.00 178.16 181.53 1sks h THR 204 N 1.14 1.26 -0.43 -0.90 1.35 -1.90 -1.56 112.91 111.88 1sks h THR 204 Ca 0.33 -0.59 -0.06 0.00 -0.55 0.00 0.00 66.41 65.54 1sks h THR 204 Cb -0.08 -0.04 -0.02 0.00 -1.73 0.00 0.00 68.15 66.29 1sks h THR 204 CO -0.09 0.28 0.03 0.74 -0.25 0.00 0.00 175.52 176.23 1sks h THR 205 N 1.29 1.25 -0.29 6.82 2.02 -1.86 -1.83 112.91 120.31 1sks h THR 205 Ca 0.33 -0.98 0.05 0.00 0.77 0.00 0.00 66.41 66.59 1sks h THR 205 Cb -0.03 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1sks h THR 205 CO -0.06 0.34 0.01 0.15 0.37 0.00 0.00 175.52 176.32 1sks h PHE 206 N 0.58 -0.00 -0.03 3.16 3.04 -0.80 0.34 116.94 123.23 1sks h PHE 206 Ca 0.13 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.93 1sks h PHE 206 Cb 0.45 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 1sks h PHE 206 CO 0.03 -0.04 -0.72 -1.49 -2.02 0.00 0.00 178.31 174.07 1sks h TRP 207 N 0.09 0.22 0.04 0.41 -0.00 -1.29 -3.11 115.95 112.32 1sks h TRP 207 Ca 0.14 -0.10 -0.24 0.00 -0.00 0.00 0.00 58.89 58.68 1sks h TRP 207 Cb 0.18 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 29.28 1sks h TRP 207 CO -0.21 0.83 -1.20 0.66 -0.00 0.00 0.00 178.44 178.51 1sks h SER 208 N 0.11 0.13 0.45 -3.49 4.64 -0.97 -3.34 113.55 111.07 1sks h SER 208 Ca -0.02 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1sks h SER 208 Cb 1.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1sks h SER 208 CO 0.11 1.12 -0.50 -0.62 -0.87 0.00 0.00 176.83 176.07 1sks n GLU 209 N -3.36 0.08 -2.97 4.77 -0.58 0.12 -4.91 120.64 113.80 1sks n GLU 209 Ca -0.06 -0.05 -0.21 0.00 -0.42 0.00 0.00 57.16 56.42 1sks n GLU 209 Cb 0.98 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 30.37 1sks n GLU 209 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1sks s SER 210 N -2.95 5.68 0.44 1.62 1.04 -1.17 -4.54 113.70 113.82 1sks s SER 210 Ca 0.12 0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.38 1sks s SER 210 Cb 0.18 -1.23 -0.09 0.00 0.10 0.00 0.00 66.02 64.97 1sks s SER 210 CO 0.69 -0.79 1.25 -0.11 0.98 0.00 0.00 173.24 175.26 1sks n LEU 211 N -2.07 4.03 -0.21 2.42 7.94 -0.61 -4.88 117.00 123.63 1sks n LEU 211 Ca 0.03 1.08 0.22 0.00 -1.11 0.00 0.00 56.01 56.23 1sks n LEU 211 Cb 0.58 -1.49 0.58 0.00 0.53 0.00 0.00 43.42 43.62 1sks n LEU 211 CO 0.45 -0.76 1.23 -0.08 -1.11 0.00 0.00 177.39 177.13 1sks h GLU 212 N 1.92 0.26 0.00 1.96 4.81 -1.90 -1.53 114.58 120.10 1sks h GLU 212 Ca -0.48 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1sks h GLU 212 Cb 1.30 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1sks h GLU 212 CO 0.59 0.17 -0.07 0.00 -0.73 0.00 0.00 179.01 178.98 1sks h ALA 213 N 1.61 1.67 -0.20 2.92 0.00 -1.88 -2.24 119.26 121.13 1sks h ALA 213 Ca 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1sks h ALA 213 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1sks h ALA 213 CO -0.12 0.08 0.04 0.28 0.00 0.00 0.00 179.25 179.54 1sks h VAL 214 N 0.00 1.22 -0.39 0.00 2.07 -1.62 -0.79 116.25 116.73 1sks h VAL 214 Ca -0.00 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 1sks h VAL 214 Cb 0.14 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1sks h VAL 214 CO 0.01 0.22 -0.18 -0.78 0.02 0.00 0.00 177.57 176.86 1sks h ASP 215 N 0.14 0.82 -0.31 0.57 3.58 -1.63 -2.72 116.42 116.86 1sks h ASP 215 Ca 0.06 -0.40 -0.02 0.00 0.42 0.00 0.00 57.03 57.09 1sks h ASP 215 Cb 0.29 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1sks h ASP 215 CO 0.00 1.04 0.11 0.40 -2.88 0.00 0.00 179.24 177.92 1sks h ILE 216 N 0.61 1.19 -0.55 2.25 2.04 -1.35 -1.53 117.51 120.17 1sks h ILE 216 Ca 0.09 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 1sks h ILE 216 Cb 0.73 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1sks h ILE 216 CO 0.05 0.21 0.08 -0.33 0.00 0.00 0.00 178.15 178.17 1sks h GLU 217 N 0.35 0.88 -0.32 2.37 4.39 -1.17 -0.51 114.58 120.57 1sks h GLU 217 Ca 0.10 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 1sks h GLU 217 Cb 0.21 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1sks h GLU 217 CO -0.01 0.83 -0.25 0.45 -1.16 0.00 0.00 179.01 178.87 1sks h HIS 218 N 0.84 0.72 -0.32 4.33 3.86 -1.30 -0.99 115.15 122.30 1sks h HIS 218 Ca 0.17 -0.16 -0.17 0.00 -1.16 0.00 0.00 60.37 59.05 1sks h HIS 218 Cb 0.38 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 1sks h HIS 218 CO 0.02 0.83 -0.48 0.00 0.86 0.00 0.00 177.93 179.16 1sks h ARG 219 N 0.56 0.86 -0.54 2.45 3.08 -0.94 -2.35 114.38 117.50 1sks h ARG 219 Ca 0.08 -0.50 -0.05 0.00 0.07 0.00 0.00 59.98 59.58 1sks h ARG 219 Cb 0.72 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1sks h ARG 219 CO 0.06 1.14 0.16 0.00 -1.07 0.00 0.00 179.97 180.25 1sks h ALA 220 N 0.77 0.70 -0.57 0.04 0.00 -0.90 -1.35 119.26 117.95 1sks h ALA 220 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1sks h ALA 220 Cb 1.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1sks h ALA 220 CO 0.11 0.38 0.28 0.00 0.00 0.00 0.00 179.25 180.01 1sks h ALA 221 N 1.02 0.74 -0.39 0.00 0.00 -1.15 0.91 119.26 120.40 1sks h ALA 221 Ca 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1sks h ALA 221 Cb 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1sks h ALA 221 CO -0.00 0.30 0.15 2.35 0.00 0.00 0.00 179.25 182.05 1sks h TRP 222 N 0.78 0.60 -0.43 0.00 2.91 -1.26 -0.73 115.95 117.82 1sks h TRP 222 Ca 0.20 -0.05 -0.12 0.00 1.13 0.00 0.00 58.89 60.05 1sks h TRP 222 Cb 0.12 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.57 1sks h TRP 222 CO -0.00 0.54 -0.22 1.25 -1.03 0.00 0.00 178.44 178.98 1sks h LEU 223 N 0.48 0.88 -0.87 0.65 5.85 -1.01 -2.74 115.31 118.56 1sks h LEU 223 Ca 0.13 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 1sks h LEU 223 Cb 0.20 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1sks h LEU 223 CO -0.01 1.07 -0.51 -0.07 -0.34 0.00 0.00 178.44 178.58 1sks h LEU 224 N 0.75 0.00 -0.62 2.25 3.38 -0.68 -1.60 115.31 118.79 1sks h LEU 224 Ca 0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1sks h LEU 224 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1sks h LEU 224 CO 0.06 0.51 -0.31 0.00 0.09 0.00 0.00 178.44 178.79 1sks h ALA 225 N 1.49 0.80 -0.44 1.53 0.00 -1.01 -1.14 119.26 120.50 1sks h ALA 225 Ca -0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1sks h ALA 225 Cb 0.99 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1sks h ALA 225 CO 0.07 0.65 -0.16 -0.22 0.00 0.00 0.00 179.25 179.59 1sks h LYS 226 N 0.63 0.82 -0.56 0.00 1.63 -1.17 -2.02 116.57 115.89 1sks h LYS 226 Ca 0.07 -0.30 -0.05 0.00 -0.85 0.00 0.00 60.65 59.52 1sks h LYS 226 Cb 0.84 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.39 1sks h LYS 226 CO 0.07 0.93 0.18 0.37 -3.45 0.00 0.00 179.45 177.54 1sks h GLN 227 N 0.73 0.88 -0.92 1.90 4.15 -0.93 -0.02 115.11 120.90 1sks h GLN 227 Ca 0.11 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1sks h GLN 227 Cb 0.66 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1sks h GLN 227 CO 0.05 0.80 0.57 0.93 -1.93 0.00 0.00 178.83 179.24 1sks h GLU 228 N 0.79 1.24 -0.38 1.69 5.08 -1.00 -1.32 114.58 120.68 1sks h GLU 228 Ca 0.18 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1sks h GLU 228 Cb 0.28 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1sks h GLU 228 CO -0.01 0.86 -0.24 0.00 -1.00 0.00 0.00 179.01 178.63 1sks h ARG 229 N 1.27 0.77 -0.26 2.33 3.08 -0.95 -3.07 114.38 117.55 1sks h ARG 229 Ca 0.33 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1sks h ARG 229 Cb -0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1sks h ARG 229 CO -0.06 0.93 0.09 -0.91 -1.07 0.00 0.00 179.97 178.95 1sks h ASN 230 N 0.67 0.36 -3.99 7.04 2.35 -0.47 -3.50 115.58 118.05 1sks h ASN 230 Ca 0.09 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1sks h ASN 230 Cb 0.75 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 1sks h ASN 230 CO 0.06 0.45 -0.02 0.61 -1.65 0.00 0.00 177.43 176.88 1sks n GLY 231 N -0.67 -1.79 3.22 2.83 0.00 -0.54 -4.86 105.19 103.38 1sks n GLY 231 Ca -0.03 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 1sks n GLY 231 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sks s PHE 232 N -1.79 3.01 0.19 1.61 2.19 -0.56 -4.67 117.98 117.97 1sks s PHE 232 Ca 0.00 -1.41 -0.33 0.00 0.33 0.00 0.00 56.93 55.52 1sks s PHE 232 Cb 0.00 -2.06 -0.14 0.00 -1.31 0.00 0.00 43.02 39.51 1sks s PHE 232 CO 0.00 -0.69 1.45 -2.30 1.83 0.00 0.00 175.22 175.50 1sks n PRO 233 N 4.70 1.94 -4.58 10.12 -0.02 -1.26 -1.96 135.00 143.94 1sks n PRO 233 Ca -0.17 0.70 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 1sks n PRO 233 Cb 0.48 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.42 1sks n PRO 233 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1sks s PHE 234 N 0.34 1.25 -1.04 6.00 5.36 -0.63 -1.99 117.98 127.26 1sks s PHE 234 Ca 0.74 -0.32 -0.16 0.00 -0.96 0.00 0.00 56.93 56.23 1sks s PHE 234 Cb -0.70 -0.86 0.15 0.00 -0.34 0.00 0.00 43.02 41.27 1sks s PHE 234 CO 0.45 -0.11 1.25 0.34 -1.46 0.00 0.00 175.22 175.69 1sks s ASP 235 N 0.04 6.82 0.15 6.13 -1.08 0.11 -4.75 116.67 124.11 1sks s ASP 235 Ca -0.02 -2.47 -0.21 0.00 -0.52 0.00 0.00 52.55 49.33 1sks s ASP 235 Cb -0.09 -2.39 0.04 0.00 -1.46 0.00 0.00 42.92 39.02 1sks s ASP 235 CO 0.01 -0.91 1.65 0.74 0.52 0.00 0.00 175.17 177.17 1sks h THR 236 N 5.30 0.48 -0.76 1.71 2.02 -1.92 -2.36 112.91 117.37 1sks h THR 236 Ca 0.22 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.49 1sks h THR 236 Cb 0.96 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.78 1sks h THR 236 CO 1.15 0.00 0.42 0.11 0.37 0.00 0.00 175.52 177.57 1sks h LYS 237 N -0.17 0.69 -0.92 6.66 1.79 -1.99 -0.64 116.57 122.00 1sks h LYS 237 Ca 0.15 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1sks h LYS 237 Cb 0.40 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.84 1sks h LYS 237 CO -0.37 0.46 0.53 0.00 -1.08 0.00 0.00 179.45 178.99 1sks h ALA 238 N 1.43 1.20 -0.01 3.86 0.00 -1.86 -0.55 119.26 123.33 1sks h ALA 238 Ca 0.36 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1sks h ALA 238 Cb 0.33 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1sks h ALA 238 CO -0.24 0.66 -0.75 0.82 0.00 0.00 0.00 179.25 179.74 1sks h ILE 239 N 1.28 1.50 -0.37 0.00 1.08 -1.04 -1.38 117.51 118.58 1sks h ILE 239 Ca 0.33 -2.47 -0.12 0.00 -0.39 0.00 0.00 64.86 62.20 1sks h ILE 239 Cb -0.02 2.34 -0.01 0.00 -3.07 0.00 0.00 36.82 36.06 1sks h ILE 239 CO -0.06 0.71 -0.26 -0.33 -0.69 0.00 0.00 178.15 177.52 1sks h GLU 240 N 0.05 0.77 0.00 2.37 5.08 -0.63 0.27 114.58 122.49 1sks h GLU 240 Ca -0.02 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 57.91 1sks h GLU 240 Cb 1.33 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1sks h GLU 240 CO 0.11 0.94 -0.52 0.93 -1.00 0.00 0.00 179.01 179.47 1sks h GLU 241 N 0.66 0.00 -0.17 2.33 5.08 -0.97 -2.10 114.58 119.41 1sks h GLU 241 Ca 0.08 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 1sks h GLU 241 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1sks h GLU 241 CO 0.06 0.52 -0.63 1.25 -1.00 0.00 0.00 179.01 179.21 1sks h LEU 242 N 0.00 0.69 0.43 1.33 5.85 -0.83 -2.83 115.31 119.95 1sks h LEU 242 Ca -0.01 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1sks h LEU 242 Cb 0.95 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1sks h LEU 242 CO 0.07 1.15 -0.20 0.22 -0.34 0.00 0.00 178.44 179.33 1sks h TYR 243 N 0.45 -0.53 -0.55 1.25 3.20 -0.65 -0.45 116.97 119.69 1sks h TYR 243 Ca -0.01 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.95 1sks h TYR 243 Cb 1.21 0.18 -0.11 0.00 1.54 0.00 0.00 36.73 39.54 1sks h TYR 243 CO 0.06 -0.30 -0.27 0.28 -1.64 0.00 0.00 178.16 176.29 1sks h VAL 244 N -0.63 0.26 -0.19 1.81 2.07 -1.39 0.32 116.25 118.50 1sks h VAL 244 Ca -0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1sks h VAL 244 Cb 0.47 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1sks h VAL 244 CO 0.10 0.00 -0.04 -0.08 0.02 0.00 0.00 177.57 177.57 1sks h GLU 245 N -0.13 0.01 -0.72 1.57 4.81 -1.33 -1.62 114.58 117.17 1sks h GLU 245 Ca 0.24 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1sks h GLU 245 Cb 0.52 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1sks h GLU 245 CO -0.63 0.01 0.22 -0.07 -0.73 0.00 0.00 179.01 177.81 1sks h LEU 246 N 0.01 1.04 -0.99 1.64 3.38 0.04 -2.00 115.31 118.42 1sks h LEU 246 Ca 0.09 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1sks h LEU 246 Cb 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1sks h LEU 246 CO -0.18 0.96 0.23 0.00 0.09 0.00 0.00 178.44 179.54 1sks h ALA 247 N 1.17 1.20 -0.26 1.53 0.00 -0.12 -0.22 119.26 122.56 1sks h ALA 247 Ca 0.23 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1sks h ALA 247 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sks h ALA 247 CO -0.01 0.57 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 1sks h ALA 248 N 1.32 0.37 -0.63 0.00 0.00 -1.02 -0.69 119.26 118.62 1sks h ALA 248 Ca 0.21 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1sks h ALA 248 Cb 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1sks h ALA 248 CO -0.01 0.30 0.28 -0.09 0.00 0.00 0.00 179.25 179.72 1sks h ARG 249 N 0.31 0.90 0.01 0.00 9.65 -1.13 -1.33 114.38 122.79 1sks h ARG 249 Ca 0.05 -0.13 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1sks h ARG 249 Cb 0.73 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1sks h ARG 249 CO 0.05 0.71 -0.00 -0.09 2.80 0.00 0.00 179.97 183.44 1sks h ARG 250 N 0.89 -0.01 -0.67 0.20 2.43 -0.79 -1.10 114.38 115.33 1sks h ARG 250 Ca 0.22 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.51 1sks h ARG 250 Cb 0.13 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 1sks h ARG 250 CO -0.02 0.19 0.23 0.77 -1.51 0.00 0.00 179.97 179.62 1sks h SER 251 N -0.21 0.18 -0.34 -3.80 0.02 -0.65 -1.00 113.55 107.75 1sks h SER 251 Ca -0.00 0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 1sks h SER 251 Cb 0.20 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1sks h SER 251 CO 0.00 0.08 -0.27 -0.08 -1.14 0.00 0.00 176.83 175.42 1sks h GLU 252 N 0.38 0.85 -0.32 3.45 4.57 -1.08 -1.32 114.58 121.11 1sks h GLU 252 Ca 0.36 -0.38 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 1sks h GLU 252 Cb 0.51 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1sks h GLU 252 CO -0.38 1.02 -0.23 -0.07 -1.18 0.00 0.00 179.01 178.17 1sks h LEU 253 N 0.72 0.63 -0.28 1.64 3.38 -0.73 -2.23 115.31 118.44 1sks h LEU 253 Ca 0.09 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1sks h LEU 253 Cb 0.82 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1sks h LEU 253 CO 0.07 0.85 -0.08 0.25 0.09 0.00 0.00 178.44 179.61 1sks h LEU 254 N 0.55 0.56 -0.25 1.67 5.85 -1.04 -1.40 115.31 121.25 1sks h LEU 254 Ca 0.08 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.47 1sks h LEU 254 Cb 0.69 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1sks h LEU 254 CO 0.05 0.80 0.01 -0.09 -0.34 0.00 0.00 178.44 178.87 1sks h ARG 255 N 0.30 0.09 -0.47 1.25 2.43 -1.06 0.12 114.38 117.03 1sks h ARG 255 Ca 0.07 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1sks h ARG 255 Cb 0.57 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1sks h ARG 255 CO 0.03 0.06 0.06 0.87 -1.51 0.00 0.00 179.97 179.48 1sks h LYS 256 N 0.09 0.74 0.00 0.20 1.57 -1.34 -2.74 116.57 115.09 1sks h LYS 256 Ca 0.12 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1sks h LYS 256 Cb 0.15 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1sks h LYS 256 CO -0.19 0.71 -0.69 -0.07 -0.57 0.00 0.00 179.45 178.64 1sks h LEU 257 N 0.71 0.00 -0.19 2.94 3.38 -0.73 -2.52 115.31 118.89 1sks h LEU 257 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1sks h LEU 257 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1sks h LEU 257 CO 0.01 0.69 0.00 0.71 0.09 0.00 0.00 178.44 179.94 1sks h THR 258 N 0.00 0.00 0.07 0.22 1.35 -0.62 -0.27 112.91 113.67 1sks h THR 258 Ca -0.01 -0.70 -0.31 0.00 -0.55 0.00 0.00 66.41 64.85 1sks h THR 258 Cb 1.41 1.68 -0.02 0.00 -1.73 0.00 0.00 68.15 69.49 1sks h THR 258 CO 0.09 0.00 -1.64 -0.33 -0.25 0.00 0.00 175.52 173.39 1sks h GLU 259 N 0.00 0.15 0.04 4.72 3.07 -1.43 -3.35 114.58 117.78 1sks h GLU 259 Ca 0.00 -0.26 -0.23 0.00 -0.50 0.00 0.00 59.36 58.37 1sks h GLU 259 Cb 0.81 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1sks h GLU 259 CO 0.00 0.92 -1.03 1.15 -1.40 0.00 0.00 179.01 178.66 1sks h THR 260 N 0.04 1.55 -3.13 1.13 2.02 -1.35 -3.42 112.91 109.74 1sks h THR 260 Ca -0.27 -2.95 -0.66 0.00 0.77 0.00 0.00 66.41 63.30 1sks h THR 260 Cb 2.00 2.71 -0.35 0.00 -1.74 0.00 0.00 68.15 70.77 1sks h THR 260 CO 0.12 0.86 -0.86 -0.36 0.37 0.00 0.00 175.52 175.65 1sks s PHE 261 N -2.91 2.60 0.33 3.16 0.08 -0.12 -5.02 117.98 116.10 1sks s PHE 261 Ca -0.02 -1.43 0.00 0.00 0.12 0.00 0.00 56.93 55.60 1sks s PHE 261 Cb 0.09 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1sks s PHE 261 CO 0.85 -0.69 0.53 0.20 -0.10 0.00 0.00 175.22 176.01 1sks s GLY 262 N 1.12 1.38 0.82 4.36 0.00 -1.26 -4.26 107.32 109.48 1sks s GLY 262 Ca -0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 44.72 43.71 1sks s GLY 262 CO -0.08 -0.84 1.10 -1.35 0.00 0.00 0.00 173.10 171.93 1sks s SER 263 N -3.95 4.05 0.18 1.64 1.04 -1.26 -4.65 113.70 110.75 1sks s SER 263 Ca 0.40 1.80 0.02 0.00 0.48 0.00 0.00 55.95 58.65 1sks s SER 263 Cb -0.10 -2.45 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 1sks s SER 263 CO 0.35 -2.32 0.19 -2.67 0.98 0.00 0.00 173.24 169.77 1sks n TRP 264 N -3.71 -0.64 -4.78 5.02 2.14 -0.61 -4.96 117.44 109.89 1sks n TRP 264 Ca 0.09 -1.40 -0.33 0.00 2.07 0.00 0.00 57.50 57.93 1sks n TRP 264 Cb 0.53 0.21 -0.12 0.00 -0.81 0.00 0.00 31.31 31.12 1sks n TRP 264 CO 0.00 0.00 0.00 0.71 2.07 0.00 0.00 177.69 180.47 1sks s TYR 265 N -3.18 2.79 0.03 -2.67 1.51 -1.26 -0.69 117.35 113.88 1sks s TYR 265 Ca 0.19 -0.09 0.05 0.00 -1.01 0.00 0.00 57.07 56.22 1sks s TYR 265 Cb 0.00 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1sks s TYR 265 CO 0.13 0.25 -0.16 -0.65 -1.11 0.00 0.00 175.55 174.01 1sks s GLN 266 N -0.78 1.09 0.21 -0.62 -0.21 -0.63 -4.96 119.66 113.76 1sks s GLN 266 Ca 0.12 -0.73 -0.30 0.00 0.02 0.00 0.00 55.36 54.47 1sks s GLN 266 Cb -0.11 -1.11 -0.09 0.00 1.00 0.00 0.00 33.01 32.71 1sks s GLN 266 CO 0.01 0.28 1.26 -1.25 -2.12 0.00 0.00 175.29 173.47 1sks s PRO 267 N -0.94 4.44 -0.26 2.91 0.04 -1.26 -0.28 135.00 139.65 1sks s PRO 267 Ca 0.04 1.99 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 1sks s PRO 267 Cb -0.07 -3.20 0.07 0.00 0.04 0.00 0.00 34.50 31.34 1sks s PRO 267 CO 0.01 -0.16 0.66 0.21 0.04 0.00 0.00 177.00 177.76 1sks s LYS 268 N -0.41 0.71 0.00 4.56 2.47 0.19 -4.81 119.74 122.44 1sks s LYS 268 Ca 0.54 1.09 0.00 0.00 -1.56 0.00 0.00 55.97 56.04 1sks s LYS 268 Cb -0.35 0.21 0.00 0.00 -1.46 0.00 0.00 37.83 36.23 1sks s LYS 268 CO 0.39 -0.13 0.00 0.41 0.16 0.00 0.00 175.35 176.18 1sks n GLY 269 N 3.77 0.85 3.80 5.54 0.00 -1.26 -3.77 105.19 114.12 1sks n GLY 269 Ca -0.18 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 1sks n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sks s GLY 270 N -2.13 2.78 -0.02 -0.02 0.00 -1.26 -4.88 107.32 101.78 1sks s GLY 270 Ca 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 44.72 44.86 1sks s GLY 270 CO 0.00 0.64 -0.10 -1.30 0.00 0.00 0.00 173.10 172.34 1sks n THR 271 N 1.56 0.87 -1.90 0.90 -2.24 -0.75 -4.79 114.28 107.93 1sks n THR 271 Ca -0.07 0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.62 1sks n THR 271 Cb 0.50 -1.67 0.04 0.00 -2.10 0.00 0.00 70.33 67.10 1sks n THR 271 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sks s GLU 272 N -1.90 2.85 0.22 -0.78 2.02 -1.15 -4.81 118.70 115.15 1sks s GLU 272 Ca -0.08 1.68 -0.18 0.00 0.02 0.00 0.00 54.97 56.41 1sks s GLU 272 Cb 0.01 -1.93 -0.08 0.00 0.10 0.00 0.00 34.13 32.23 1sks s GLU 272 CO 0.12 -1.26 0.70 1.41 0.02 0.00 0.00 175.26 176.24 1sks s MET 273 N -3.59 4.17 -0.01 1.61 -2.45 -1.26 -1.39 119.30 116.38 1sks s MET 273 Ca 0.74 0.78 -0.29 0.00 -1.25 0.00 0.00 55.69 55.66 1sks s MET 273 Cb -0.27 -2.83 -0.03 0.00 1.25 0.00 0.00 34.83 32.95 1sks s MET 273 CO 0.36 0.38 0.95 0.12 1.05 0.00 0.00 175.02 177.87 1sks s PHE 274 N -1.57 3.65 0.00 4.11 5.36 -1.26 -4.81 117.98 123.46 1sks s PHE 274 Ca 0.44 1.64 0.08 0.00 -0.96 0.00 0.00 56.93 58.13 1sks s PHE 274 Cb -0.16 -3.08 -0.02 0.00 -0.34 0.00 0.00 43.02 39.42 1sks s PHE 274 CO 0.20 0.00 -0.25 0.00 -1.46 0.00 0.00 175.22 173.72 1sks s HIS 276 N -0.65 1.27 0.50 0.00 2.46 -0.77 -4.86 115.29 113.24 1sks s HIS 276 Ca 0.10 0.09 0.20 0.00 0.47 0.00 0.00 55.06 55.92 1sks s HIS 276 Cb -0.10 -4.08 1.26 0.00 -0.13 0.00 0.00 32.58 29.54 1sks s HIS 276 CO 0.00 -4.69 2.01 -1.35 -2.47 0.00 0.00 174.74 168.24 1sks h PRO 277 N 12.80 0.13 0.00 2.88 0.11 -1.95 -1.96 132.00 144.01 1sks h PRO 277 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1sks h PRO 277 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sks h PRO 277 CO 0.95 0.09 0.00 -2.13 -0.21 0.00 0.00 178.00 176.70 1sks n ARG 278 N -4.43 0.00 0.00 1.05 0.63 -1.26 -4.71 116.66 107.94 1sks n ARG 278 Ca 0.08 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1sks n ARG 278 Cb 0.47 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 32.32 1sks n ARG 278 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1sks n THR 279 N -0.93 0.00 0.00 5.15 -1.04 -1.21 -5.01 114.28 111.24 1sks n THR 279 Ca 0.00 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1sks n THR 279 Cb 0.00 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 1sks n THR 279 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sks n GLY 280 N 2.44 -0.02 3.58 3.41 0.00 -0.74 -4.99 105.19 108.87 1sks n GLY 280 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1sks n GLY 280 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sks n LYS 281 N 0.00 1.78 -1.77 1.61 4.81 -1.26 -4.47 118.16 118.87 1sks n LYS 281 Ca 0.00 0.56 -0.38 0.00 -0.87 0.00 0.00 58.31 57.62 1sks n LYS 281 Cb 0.00 -2.79 0.04 0.00 0.02 0.00 0.00 35.03 32.30 1sks n LYS 281 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1sks s PRO 282 N 5.52 3.08 -0.70 1.64 0.02 -1.26 -1.84 135.00 141.45 1sks s PRO 282 Ca 1.01 2.23 0.05 0.00 0.02 0.00 0.00 61.00 64.31 1sks s PRO 282 Cb -0.62 -2.22 0.18 0.00 0.02 0.00 0.00 34.50 31.86 1sks s PRO 282 CO 0.45 -1.23 0.53 1.28 -0.33 0.00 0.00 177.00 177.70 1sks n LEU 283 N -1.11 3.15 0.12 -5.54 4.77 -0.12 -4.87 117.00 113.40 1sks n LEU 283 Ca 0.11 -5.25 0.20 0.00 -0.03 0.00 0.00 56.01 51.04 1sks n LEU 283 Cb 0.45 -0.75 0.75 0.00 -2.33 0.00 0.00 43.42 41.54 1sks n LEU 283 CO 0.52 1.79 1.17 -0.65 -1.33 0.00 0.00 177.39 178.90 1sks h PRO 284 N 5.24 0.00 -0.04 3.23 0.11 -1.93 -1.78 132.00 136.82 1sks h PRO 284 Ca 0.16 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.04 1sks h PRO 284 Cb 0.74 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.86 1sks h PRO 284 CO 0.74 0.00 -0.89 0.87 -0.21 0.00 0.00 178.00 178.50 1sks h LYS 285 N 0.00 0.54 -7.13 1.05 6.56 -1.95 -3.45 116.57 112.19 1sks h LYS 285 Ca 0.17 -0.53 -0.53 0.00 -1.06 0.00 0.00 60.65 58.71 1sks h LYS 285 Cb 1.04 0.14 0.12 0.00 -0.57 0.00 0.00 32.23 32.96 1sks h LYS 285 CO -0.00 1.15 0.44 0.71 -2.06 0.00 0.00 179.45 179.70 1sks s TYR 286 N -3.44 2.33 0.60 -1.35 2.02 -0.67 -4.97 117.35 111.87 1sks s TYR 286 Ca -0.07 1.54 -0.19 0.00 -0.37 0.00 0.00 57.07 57.97 1sks s TYR 286 Cb 0.09 -3.45 -0.03 0.00 -0.40 0.00 0.00 41.96 38.16 1sks s TYR 286 CO 0.88 -2.27 1.27 -2.14 -1.57 0.00 0.00 175.55 171.72 1sks s PRO 287 N -3.55 2.87 0.54 -1.71 0.02 -1.26 -4.80 135.00 127.11 1sks s PRO 287 Ca 0.76 2.00 -0.21 0.00 0.02 0.00 0.00 61.00 63.56 1sks s PRO 287 Cb -0.29 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.20 1sks s PRO 287 CO 0.37 -1.33 1.30 1.03 -0.33 0.00 0.00 177.00 178.04 1sks s ARG 288 N -3.24 3.22 0.00 5.54 1.81 -1.26 -4.50 118.95 120.51 1sks s ARG 288 Ca 0.78 2.09 0.00 0.00 -1.72 0.00 0.00 55.73 56.88 1sks s ARG 288 Cb -0.35 -2.23 0.00 0.00 -0.45 0.00 0.00 34.95 31.92 1sks s ARG 288 CO 0.38 -1.08 0.00 0.44 -0.68 0.00 0.00 175.30 174.36 1sks n ILE 289 N -1.02 0.00 -3.73 1.52 -5.35 -0.49 -4.44 119.36 105.86 1sks n ILE 289 Ca 0.10 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.46 1sks n ILE 289 Cb 0.46 -0.31 -0.10 0.00 -1.74 0.00 0.00 39.64 37.95 1sks n ILE 289 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1sks s LYS 290 N -1.57 0.45 -0.28 6.28 2.20 -0.77 -1.81 119.74 124.25 1sks s LYS 290 Ca 0.00 0.60 0.03 0.00 -0.36 0.00 0.00 55.97 56.24 1sks s LYS 290 Cb 0.00 0.18 0.07 0.00 -1.51 0.00 0.00 37.83 36.57 1sks s LYS 290 CO 0.00 -0.08 -0.06 0.99 -0.36 0.00 0.00 175.35 175.85 1sks s THR 291 N 0.43 2.09 0.67 3.43 2.01 -1.26 -2.40 115.64 120.62 1sks s THR 291 Ca -0.02 -1.77 -0.16 0.00 0.31 0.00 0.00 61.69 60.05 1sks s THR 291 Cb -0.04 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.16 1sks s THR 291 CO -0.02 -0.20 1.20 -2.16 -0.69 0.00 0.00 174.62 172.74 1sks s PRO 292 N 1.09 2.51 -0.01 4.92 0.04 -1.26 -4.85 135.00 137.44 1sks s PRO 292 Ca -0.03 1.73 0.11 0.00 0.04 0.00 0.00 61.00 62.86 1sks s PRO 292 Cb -0.20 -1.88 -0.17 0.00 0.04 0.00 0.00 34.50 32.30 1sks s PRO 292 CO -0.06 -1.54 0.29 1.63 0.04 0.00 0.00 177.00 177.35 1sks n LYS 293 N -2.29 0.86 -4.11 4.56 5.02 -1.26 -2.27 118.16 118.66 1sks n LYS 293 Ca 0.13 -0.09 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 1sks n LYS 293 Cb 0.50 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 1sks n LYS 293 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1sks s VAL 294 N -2.67 3.10 0.00 -0.18 -7.23 -1.26 -4.66 120.40 107.49 1sks s VAL 294 Ca -0.03 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1sks s VAL 294 Cb 0.07 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 34.03 1sks s VAL 294 CO 0.47 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 1sks n GLY 295 N -1.14 1.89 3.83 2.32 0.00 -1.26 -2.93 105.19 107.90 1sks n GLY 295 Ca -0.03 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 1sks n GLY 295 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sks s GLY 296 N -0.19 0.15 0.14 -0.02 0.00 -1.24 -2.30 107.32 103.86 1sks s GLY 296 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 44.72 44.14 1sks s GLY 296 CO 0.00 0.60 1.60 -2.22 0.00 0.00 0.00 173.10 173.09 1sks h ILE 297 N 2.00 1.26 -3.64 0.90 5.03 -1.90 -3.40 117.51 117.75 1sks h ILE 297 Ca -0.28 -0.98 -0.67 0.00 -0.12 0.00 0.00 64.86 62.81 1sks h ILE 297 Cb 1.24 1.01 -0.17 0.00 -3.03 0.00 0.00 36.82 35.86 1sks h ILE 297 CO 0.35 0.34 -0.76 -0.36 -0.68 0.00 0.00 178.15 177.04 1sks s PHE 298 N -5.09 2.68 0.39 1.37 0.40 -1.26 -1.64 117.98 114.84 1sks s PHE 298 Ca -0.13 -0.18 -0.25 0.00 -0.60 0.00 0.00 56.93 55.76 1sks s PHE 298 Cb 0.11 -1.43 -0.09 0.00 0.51 0.00 0.00 43.02 42.13 1sks s PHE 298 CO 0.80 0.40 1.18 -1.59 0.70 0.00 0.00 175.22 176.71 1sks s LYS 299 N -2.06 4.08 0.23 0.44 0.00 0.41 -4.62 119.74 118.22 1sks s LYS 299 Ca 0.20 1.87 -0.29 0.00 0.00 0.00 0.00 55.97 57.74 1sks s LYS 299 Cb -0.11 -2.71 -0.15 0.00 0.00 0.00 0.00 37.83 34.86 1sks s LYS 299 CO 0.12 -0.31 0.90 1.63 0.00 0.00 0.00 175.35 177.69 1sks n LYS 300 N 0.14 0.89 -1.33 1.78 5.02 -1.26 -4.51 118.16 118.88 1sks n LYS 300 Ca 0.04 0.31 -0.34 0.00 -2.02 0.00 0.00 58.31 56.30 1sks n LYS 300 Cb 0.46 -1.61 0.10 0.00 -0.02 0.00 0.00 35.03 33.97 1sks n LYS 300 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1sks s PRO 301 N -1.11 1.98 -0.02 1.97 0.04 -1.26 -4.94 135.00 131.66 1sks s PRO 301 Ca 0.64 1.74 0.18 0.00 0.04 0.00 0.00 61.00 63.60 1sks s PRO 301 Cb -0.81 -1.82 0.30 0.00 0.04 0.00 0.00 34.50 32.21 1sks s PRO 301 CO 0.57 -1.95 1.12 1.63 0.04 0.00 0.00 177.00 178.42 1sks n LYS 302 N -2.92 0.11 0.00 4.56 5.02 -1.26 -5.18 118.16 118.49 1sks n LYS 302 Ca 0.13 -1.75 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 1sks n LYS 302 Cb 0.50 0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 1sks n LYS 302 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1sks n ASN 303 N 0.25 0.00 0.00 4.39 2.04 -1.26 -5.27 115.26 115.41 1sks n ASN 303 Ca -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.09 1sks n ASN 303 Cb 0.99 0.28 0.00 0.00 -2.53 0.00 0.00 39.78 38.52 1sks n ASN 303 CO 0.00 0.00 0.00 -2.11 -0.44 0.00 0.00 177.26 174.71 1sks n ARG 310 N -2.05 0.00 -2.74 -3.83 -4.01 -1.26 -5.29 116.66 97.47 1sks n ARG 310 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 1sks n ARG 310 Cb 0.00 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.39 1sks n ARG 310 CO 0.00 0.00 0.00 -1.83 -3.04 0.00 0.00 177.63 172.76 1sks s GLU 311 N 0.00 4.45 0.33 2.89 4.04 -1.26 -5.02 118.70 124.13 1sks s GLU 311 Ca 0.00 1.32 -0.29 0.00 0.04 0.00 0.00 54.97 56.04 1sks s GLU 311 Cb 0.00 -3.51 -0.11 0.00 0.02 0.00 0.00 34.13 30.53 1sks s GLU 311 CO 0.00 -0.21 1.48 -2.14 -1.84 0.00 0.00 175.26 172.55 1sks s PRO 312 N 1.64 4.17 1.04 -4.83 0.02 -1.26 -5.02 135.00 130.76 1sks s PRO 312 Ca 0.47 2.48 -0.16 0.00 0.02 0.00 0.00 61.00 63.81 1sks s PRO 312 Cb -0.19 -3.02 0.22 0.00 0.02 0.00 0.00 34.50 31.53 1sks s PRO 312 CO 0.20 -0.49 1.18 0.00 -0.33 0.00 0.00 177.00 177.56 1sks s GLU 314 N -5.48 3.77 0.46 0.00 2.02 -1.26 -4.93 118.70 113.27 1sks s GLU 314 Ca 0.69 -0.07 -0.21 0.00 0.02 0.00 0.00 54.97 55.40 1sks s GLU 314 Cb -0.10 -3.75 -0.12 0.00 0.10 0.00 0.00 34.13 30.26 1sks s GLU 314 CO 0.54 -0.50 0.51 1.28 0.02 0.00 0.00 175.26 177.11 1sks n LEU 315 N 5.58 -0.03 -4.53 1.80 4.77 -1.26 -0.45 117.00 122.88 1sks n LEU 315 Ca -0.06 0.85 -0.41 0.00 -0.03 0.00 0.00 56.01 56.36 1sks n LEU 315 Cb 0.49 -1.11 -0.09 0.00 -2.33 0.00 0.00 43.42 40.38 1sks n LEU 315 CO 0.42 -3.03 0.08 -0.62 -1.33 0.00 0.00 177.39 172.92 1sks s ASP 316 N -1.00 6.20 -0.01 -1.43 3.68 -0.65 -4.41 116.67 119.06 1sks s ASP 316 Ca 0.64 -0.32 0.00 0.00 2.13 0.00 0.00 52.55 55.01 1sks s ASP 316 Cb -0.56 -2.22 0.02 0.00 -1.45 0.00 0.00 42.92 38.71 1sks s ASP 316 CO 0.58 -0.43 0.78 0.35 0.13 0.00 0.00 175.17 176.58 1sks n THR 317 N 5.32 0.57 -3.19 1.71 -2.24 -1.26 -4.81 114.28 110.39 1sks n THR 317 Ca -0.08 -0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 1sks n THR 317 Cb 0.49 -0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 1sks n THR 317 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sks s ARG 318 N -0.53 4.13 0.32 -0.78 0.52 -1.26 -4.99 118.95 116.35 1sks s ARG 318 Ca 0.01 0.72 0.24 0.00 -0.52 0.00 0.00 55.73 56.18 1sks s ARG 318 Cb 0.01 -2.83 0.44 0.00 0.52 0.00 0.00 34.95 33.08 1sks s ARG 318 CO 0.00 0.39 1.57 1.05 0.02 0.00 0.00 175.30 178.33 1sks h GLU 319 N 3.29 0.00 -6.16 3.54 4.11 -1.96 -3.47 114.58 113.93 1sks h GLU 319 Ca -0.48 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.44 1sks h GLU 319 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1sks h GLU 319 CO 0.65 0.00 -0.49 0.71 0.07 0.00 0.00 179.01 179.96 1sks s TYR 320 N -3.19 3.31 -0.11 2.06 2.02 -1.26 -5.11 117.35 115.07 1sks s TYR 320 Ca 0.07 -0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 56.74 1sks s TYR 320 Cb 0.08 -1.53 0.03 0.00 -0.40 0.00 0.00 41.96 40.14 1sks s TYR 320 CO 0.67 0.49 -0.02 0.08 -1.57 0.00 0.00 175.55 175.20 1sks s VAL 321 N -1.93 0.67 0.08 0.71 1.01 -1.26 -3.69 120.40 115.99 1sks s VAL 321 Ca 0.33 -0.18 -0.37 0.00 0.00 0.00 0.00 61.98 61.77 1sks s VAL 321 Cb -0.09 -0.84 -0.18 0.00 0.00 0.00 0.00 36.38 35.27 1sks s VAL 321 CO 0.27 0.21 1.17 0.00 0.00 0.00 0.00 175.10 176.75 1sks n ALA 322 N 5.04 -1.92 0.00 5.51 0.00 -0.97 -0.25 120.51 127.92 1sks n ALA 322 Ca -0.09 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1sks n ALA 322 Cb 0.49 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1sks n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sks n GLY 323 N 2.06 2.54 3.37 0.00 0.00 -0.96 -4.98 105.19 107.22 1sks n GLY 323 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 1sks n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sks s ALA 324 N -2.45 3.61 0.66 4.61 0.00 0.65 -5.00 121.76 123.83 1sks s ALA 324 Ca 0.00 -2.63 -0.15 0.00 0.00 0.00 0.00 51.96 49.17 1sks s ALA 324 Cb 0.00 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 1sks s ALA 324 CO 0.00 -2.40 1.11 -1.25 0.00 0.00 0.00 175.76 173.23 1sks s PRO 325 N 1.91 2.81 0.18 0.00 0.04 -1.26 -4.54 135.00 134.14 1sks s PRO 325 Ca 0.16 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 1sks s PRO 325 Cb -0.18 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1sks s PRO 325 CO -0.01 -1.25 0.40 1.52 0.04 0.00 0.00 177.00 177.70 1sks s TYR 326 N -2.30 0.18 -0.30 0.56 1.13 -1.01 -4.99 117.35 110.63 1sks s TYR 326 Ca 0.68 -0.54 -0.09 0.00 -1.41 0.00 0.00 57.07 55.71 1sks s TYR 326 Cb -0.21 0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 40.79 1sks s TYR 326 CO 0.41 -0.83 0.14 0.99 -2.51 0.00 0.00 175.55 173.75 1sks s THR 327 N -3.93 4.54 0.33 -3.49 2.01 -1.26 -1.84 115.64 112.00 1sks s THR 327 Ca 0.14 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.49 1sks s THR 327 Cb 0.01 -3.28 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 1sks s THR 327 CO -0.00 0.12 1.31 -2.84 -0.69 0.00 0.00 174.62 172.52 1sks s PRO 328 N 1.61 4.35 0.05 4.92 0.02 -1.26 -4.94 135.00 139.75 1sks s PRO 328 Ca 0.05 2.22 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 1sks s PRO 328 Cb -0.17 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 1sks s PRO 328 CO 0.06 -0.19 -0.01 0.14 -0.33 0.00 0.00 177.00 176.66 1sks s VAL 329 N -1.13 0.19 0.12 3.83 -7.23 -1.25 -0.64 120.40 114.31 1sks s VAL 329 Ca 0.49 -1.59 0.08 0.00 -1.81 0.00 0.00 61.98 59.15 1sks s VAL 329 Cb -0.40 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1sks s VAL 329 CO 0.53 -0.88 -0.18 -1.83 -0.31 0.00 0.00 175.10 172.43 1sks s GLU 330 N -3.43 1.13 -0.08 4.82 -1.05 0.62 -4.77 118.70 115.93 1sks s GLU 330 Ca 0.02 -1.24 -0.22 0.00 -0.15 0.00 0.00 54.97 53.39 1sks s GLU 330 Cb 0.04 -1.24 -0.04 0.00 -0.44 0.00 0.00 34.13 32.46 1sks s GLU 330 CO -0.08 0.27 0.64 -1.58 0.95 0.00 0.00 175.26 175.46 1sks s HIS 331 N -1.63 3.55 -0.15 4.83 5.65 -1.26 -1.61 115.29 124.68 1sks s HIS 331 Ca 0.09 1.15 0.00 0.00 0.25 0.00 0.00 55.06 56.55 1sks s HIS 331 Cb -0.08 -2.74 0.03 0.00 -1.18 0.00 0.00 32.58 28.61 1sks s HIS 331 CO 0.05 0.10 -0.12 0.54 -0.65 0.00 0.00 174.74 174.65 1sks s VAL 332 N 0.79 1.46 0.20 0.89 0.11 0.13 -4.99 120.40 118.99 1sks s VAL 332 Ca 0.34 -0.60 -0.22 0.00 -2.93 0.00 0.00 61.98 58.57 1sks s VAL 332 Cb -0.17 -1.41 -0.08 0.00 -1.53 0.00 0.00 36.38 33.19 1sks s VAL 332 CO 0.16 0.40 0.75 -0.69 -3.33 0.00 0.00 175.10 172.39 1sks s VAL 333 N 1.53 4.48 0.02 2.04 1.01 -1.26 -1.58 120.40 126.65 1sks s VAL 333 Ca 0.04 1.47 -0.33 0.00 0.00 0.00 0.00 61.98 63.16 1sks s VAL 333 Cb -0.13 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.17 1sks s VAL 333 CO -0.10 0.34 1.85 0.33 0.00 0.00 0.00 175.10 177.52 1sks n PHE 334 N 1.08 2.43 -3.77 5.22 7.35 -1.26 -4.95 117.46 123.56 1sks n PHE 334 Ca -0.04 -0.09 -0.37 0.00 -0.76 0.00 0.00 57.45 56.20 1sks n PHE 334 Cb 0.50 -2.70 -0.12 0.00 0.35 0.00 0.00 39.48 37.51 1sks n PHE 334 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1sks s ASN 335 N 3.41 5.25 0.42 -2.13 3.84 -1.26 -4.88 114.94 119.59 1sks s ASN 335 Ca 0.87 -1.39 0.27 0.00 0.21 0.00 0.00 52.86 52.82 1sks s ASN 335 Cb -0.58 -1.84 1.45 0.00 -0.55 0.00 0.00 41.25 39.73 1sks s ASN 335 CO 0.44 -0.38 1.80 -0.65 -2.79 0.00 0.00 177.10 175.52 1sks h PRO 336 N 8.16 0.00 0.00 0.43 0.11 -1.99 -0.86 132.00 137.86 1sks h PRO 336 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1sks h PRO 336 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sks h PRO 336 CO 0.63 0.00 -0.31 0.43 -0.21 0.00 0.00 178.00 178.54 1sks n SER 337 N -2.47 0.48 -4.59 -2.05 7.64 -1.26 -4.79 113.62 106.59 1sks n SER 337 Ca -0.02 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.65 1sks n SER 337 Cb 0.10 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 1sks n SER 337 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1sks s SER 338 N -3.63 6.51 0.51 6.43 0.15 -0.33 -4.92 113.70 118.43 1sks s SER 338 Ca 0.10 0.36 0.26 0.00 0.70 0.00 0.00 55.95 57.37 1sks s SER 338 Cb 0.16 -2.35 1.41 0.00 -1.71 0.00 0.00 66.02 63.52 1sks s SER 338 CO 0.64 -0.58 2.06 0.03 1.20 0.00 0.00 173.24 176.60 1sks h ARG 339 N 8.32 0.00 -0.01 5.44 2.47 -1.86 -1.83 114.38 126.90 1sks h ARG 339 Ca -0.26 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.45 1sks h ARG 339 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1sks h ARG 339 CO 0.84 0.13 -0.03 0.22 0.56 0.00 0.00 179.97 181.69 1sks h ASP 340 N 0.00 0.04 -0.89 7.04 3.58 -1.94 -0.82 116.42 123.44 1sks h ASP 340 Ca -0.00 -0.58 0.06 0.00 0.42 0.00 0.00 57.03 56.93 1sks h ASP 340 Cb 0.33 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.31 1sks h ASP 340 CO 0.02 0.61 0.56 0.45 -2.88 0.00 0.00 179.24 178.00 1sks h HIS 341 N -0.52 1.04 -0.54 0.28 3.86 -1.76 0.32 115.15 117.83 1sks h HIS 341 Ca 0.00 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1sks h HIS 341 Cb 0.60 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1sks h HIS 341 CO 0.13 0.54 0.13 0.82 0.86 0.00 0.00 177.93 180.41 1sks h ILE 342 N 1.03 1.24 -0.53 2.45 2.04 -1.34 -0.96 117.51 121.44 1sks h ILE 342 Ca 0.38 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 1sks h ILE 342 Cb 0.14 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1sks h ILE 342 CO -0.16 0.32 0.11 -0.61 0.00 0.00 0.00 178.15 177.81 1sks h GLN 343 N 0.76 0.87 -0.15 2.37 -0.00 -0.27 -1.94 115.11 116.75 1sks h GLN 343 Ca 0.17 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1sks h GLN 343 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.71 1sks h GLN 343 CO 0.00 0.83 0.10 -0.22 0.00 0.00 0.00 178.83 179.54 1sks h LYS 344 N 0.76 0.20 -0.19 1.69 3.64 -0.13 -3.00 116.57 119.55 1sks h LYS 344 Ca 0.16 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.37 1sks h LYS 344 Cb 0.37 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1sks h LYS 344 CO 0.01 0.16 -0.55 0.87 -2.27 0.00 0.00 179.45 177.66 1sks h LYS 345 N 0.19 0.58 0.00 1.90 1.79 -1.10 -3.06 116.57 116.87 1sks h LYS 345 Ca 0.06 -0.37 -0.09 0.00 -2.18 0.00 0.00 60.65 58.07 1sks h LYS 345 Cb 0.00 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1sks h LYS 345 CO -0.01 0.98 -0.44 -0.07 -1.08 0.00 0.00 179.45 178.83 1sks h LEU 346 N 0.44 0.00 -0.09 2.94 3.38 -1.36 -2.95 115.31 117.68 1sks h LEU 346 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1sks h LEU 346 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1sks h LEU 346 CO 0.11 0.44 -0.29 1.56 0.09 0.00 0.00 178.44 180.34 1sks h GLN 347 N 0.00 0.35 -0.29 1.13 4.20 -1.56 -0.96 115.11 117.98 1sks h GLN 347 Ca -0.00 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1sks h GLN 347 Cb 0.94 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1sks h GLN 347 CO 0.06 0.89 0.00 0.39 -0.67 0.00 0.00 178.83 179.50 1sks n GLU 348 N -4.44 0.31 0.00 1.46 1.02 -1.12 -0.07 120.64 117.81 1sks n GLU 348 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1sks n GLU 348 Cb 0.48 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1sks n GLU 348 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sks n ALA 349 N 0.27 0.89 0.00 0.62 0.00 -1.03 -5.01 120.51 116.26 1sks n ALA 349 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1sks n ALA 349 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1sks n ALA 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sks n GLY 350 N 0.28 1.12 3.71 0.00 0.00 0.91 -4.13 105.19 107.07 1sks n GLY 350 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1sks n GLY 350 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1sks s TRP 351 N -2.00 3.68 -0.35 1.61 -0.00 -0.39 -4.95 118.94 116.53 1sks s TRP 351 Ca 0.00 1.70 -0.07 0.00 -0.00 0.00 0.00 56.10 57.74 1sks s TRP 351 Cb 0.00 -3.10 0.05 0.00 -0.00 0.00 0.00 33.47 30.42 1sks s TRP 351 CO 0.00 0.03 0.13 0.08 -0.00 0.00 0.00 176.95 177.19 1sks s VAL 352 N 0.84 3.81 0.50 5.86 1.01 -1.26 -4.35 120.40 126.81 1sks s VAL 352 Ca 0.51 -1.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 1sks s VAL 352 Cb -0.21 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 1sks s VAL 352 CO 0.28 -0.26 1.34 -2.65 0.00 0.00 0.00 175.10 173.81 1sks n PRO 353 N 4.81 1.86 -0.01 2.72 -0.02 -1.26 -4.97 135.00 138.13 1sks n PRO 353 Ca -0.11 0.67 -0.02 0.00 -2.02 0.00 0.00 63.50 62.02 1sks n PRO 353 Cb 0.44 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.38 1sks n PRO 353 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1sks n THR 354 N -0.66 0.41 -3.37 3.45 -1.04 -1.26 -5.01 114.28 106.79 1sks n THR 354 Ca 0.08 0.30 -0.38 0.00 -2.04 0.00 0.00 64.05 62.01 1sks n THR 354 Cb 0.43 -1.55 -0.06 0.00 -1.82 0.00 0.00 70.33 67.33 1sks n THR 354 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1sks s LYS 355 N -1.46 4.14 0.28 -2.82 -2.85 -1.26 -5.04 119.74 110.73 1sks s LYS 355 Ca -0.05 0.52 0.12 0.00 -1.00 0.00 0.00 55.97 55.56 1sks s LYS 355 Cb 0.01 -3.30 -0.05 0.00 -2.06 0.00 0.00 37.83 32.43 1sks s LYS 355 CO 0.08 0.50 -0.19 0.71 0.10 0.00 0.00 175.35 176.55 1sks s TYR 356 N -0.52 2.28 0.38 1.78 1.51 -1.26 -1.20 117.35 120.32 1sks s TYR 356 Ca 0.26 -0.35 -0.24 0.00 -1.01 0.00 0.00 57.07 55.73 1sks s TYR 356 Cb -0.17 -1.02 -0.10 0.00 -0.11 0.00 0.00 41.96 40.56 1sks s TYR 356 CO 0.14 0.70 0.97 0.95 -1.11 0.00 0.00 175.55 177.20 1sks s THR 357 N -2.53 4.13 -0.29 -0.71 -4.23 0.44 -4.75 115.64 107.70 1sks s THR 357 Ca 0.30 1.58 -0.03 0.00 -1.18 0.00 0.00 61.69 62.36 1sks s THR 357 Cb -0.04 -3.79 -0.07 0.00 1.34 0.00 0.00 72.50 69.95 1sks s THR 357 CO 0.15 -0.05 1.67 -0.67 -0.54 0.00 0.00 174.62 175.19 1sks n ASP 358 N -0.02 2.53 -1.41 3.99 -0.08 -1.26 -2.39 116.55 117.90 1sks n ASP 358 Ca 0.04 -2.03 -0.01 0.00 -1.51 0.00 0.00 54.79 51.29 1sks n ASP 358 Cb 0.51 -0.70 0.01 0.00 2.34 0.00 0.00 41.12 43.29 1sks n ASP 358 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1sks n LYS 359 N 3.64 0.16 -2.82 -0.67 4.81 -1.26 -5.08 118.16 116.94 1sks n LYS 359 Ca 0.22 -0.18 -0.02 0.00 -0.87 0.00 0.00 58.31 57.46 1sks n LYS 359 Cb 0.21 0.17 0.00 0.00 0.02 0.00 0.00 35.03 35.44 1sks n LYS 359 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sks n GLY 360 N -0.19 -3.25 0.00 3.14 0.00 -1.01 -5.07 105.19 98.82 1sks n GLY 360 Ca -0.03 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1sks n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sks n ALA 361 N 0.64 0.00 -1.96 4.61 0.00 -1.26 -4.94 120.51 117.60 1sks n ALA 361 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 1sks n ALA 361 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 1sks n ALA 361 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sks s PRO 362 N 0.00 4.28 0.14 0.00 0.04 -1.26 0.17 135.00 138.36 1sks s PRO 362 Ca 0.00 2.25 -0.31 0.00 0.04 0.00 0.00 61.00 62.97 1sks s PRO 362 Cb 0.00 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 1sks s PRO 362 CO 0.00 -0.45 1.45 0.08 0.04 0.00 0.00 177.00 178.12 1sks s VAL 363 N 0.52 3.04 -0.43 -0.36 1.01 -0.34 -4.78 120.40 119.06 1sks s VAL 363 Ca 0.63 0.75 0.09 0.00 0.00 0.00 0.00 61.98 63.45 1sks s VAL 363 Cb -0.41 -3.48 0.30 0.00 0.00 0.00 0.00 36.38 32.79 1sks s VAL 363 CO 0.37 0.06 0.67 0.52 0.00 0.00 0.00 175.10 176.72 1sks n VAL 364 N 3.89 0.21 -3.04 2.92 0.31 -1.26 -4.91 118.33 116.46 1sks n VAL 364 Ca 0.12 -4.53 -0.19 0.00 -0.01 0.00 0.00 64.34 59.74 1sks n VAL 364 Cb 0.41 -1.24 0.04 0.00 -0.91 0.00 0.00 33.84 32.14 1sks n VAL 364 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1sks s ASP 365 N -2.05 5.31 0.43 4.52 1.47 -1.26 -4.90 116.67 120.19 1sks s ASP 365 Ca 0.39 -0.69 0.10 0.00 1.18 0.00 0.00 52.55 53.53 1sks s ASP 365 Cb 0.25 -0.08 0.95 0.00 -0.34 0.00 0.00 42.92 43.71 1sks s ASP 365 CO -0.09 -1.11 2.06 -0.78 0.68 0.00 0.00 175.17 175.93 1sks h ASP 366 N 0.37 0.38 -0.23 2.11 3.58 -1.99 -0.15 116.42 120.50 1sks h ASP 366 Ca -0.34 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.14 1sks h ASP 366 Cb 1.29 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.21 1sks h ASP 366 CO 0.43 0.27 0.03 -0.33 -2.88 0.00 0.00 179.24 176.75 1sks h GLU 367 N 0.45 0.11 0.15 0.28 5.08 -2.00 -2.07 114.58 116.56 1sks h GLU 367 Ca 0.15 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.21 1sks h GLU 367 Cb 0.04 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.29 1sks h GLU 367 CO -0.03 0.07 -1.27 -0.39 -1.00 0.00 0.00 179.01 176.38 1sks h VAL 368 N 0.11 1.41 -0.12 3.13 -1.51 -1.80 -3.25 116.25 114.22 1sks h VAL 368 Ca 0.10 -2.84 0.03 0.00 -1.23 0.00 0.00 66.70 62.77 1sks h VAL 368 Cb 0.11 2.89 -0.00 0.00 -2.13 0.00 0.00 31.29 32.16 1sks h VAL 368 CO -0.15 0.84 0.12 -0.07 -1.23 0.00 0.00 177.57 177.08 1sks h LEU 369 N 0.13 0.00 -0.94 4.19 3.38 -0.92 0.21 115.31 121.37 1sks h LEU 369 Ca -0.17 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1sks h LEU 369 Cb 1.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.72 1sks h LEU 369 CO 0.22 0.00 -0.15 -0.08 0.09 0.00 0.00 178.44 178.52 1sks h GLU 370 N 0.00 0.00 -0.27 1.13 4.57 -1.40 -3.13 114.58 115.47 1sks h GLU 370 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1sks h GLU 370 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1sks h GLU 370 CO -0.00 0.15 0.00 0.41 -1.18 0.00 0.00 179.01 178.39 1sks n GLY 371 N 0.37 1.47 3.71 1.92 0.00 0.70 -4.98 105.19 108.38 1sks n GLY 371 Ca 0.01 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1sks n GLY 371 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sks s VAL 372 N -1.18 4.33 -0.14 1.61 1.01 -0.93 -5.03 120.40 120.07 1sks s VAL 372 Ca 0.27 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.92 1sks s VAL 372 Cb 0.16 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.49 1sks s VAL 372 CO 0.22 0.10 -0.13 -0.13 0.00 0.00 0.00 175.10 175.16 1sks s ARG 373 N 1.28 2.19 0.28 2.72 1.81 -1.26 -5.06 118.95 120.91 1sks s ARG 373 Ca 0.56 -0.52 0.10 0.00 -1.72 0.00 0.00 55.73 54.15 1sks s ARG 373 Cb -0.26 -2.01 -0.05 0.00 -0.45 0.00 0.00 34.95 32.18 1sks s ARG 373 CO 0.27 -0.21 -0.16 0.14 -0.68 0.00 0.00 175.30 174.66 1sks s VAL 374 N 1.44 2.21 0.01 3.52 -7.23 -1.26 -4.67 120.40 114.43 1sks s VAL 374 Ca 0.03 -2.30 -0.19 0.00 -1.81 0.00 0.00 61.98 57.71 1sks s VAL 374 Cb -0.13 -2.33 -0.23 0.00 0.56 0.00 0.00 36.38 34.24 1sks s VAL 374 CO -0.09 -0.39 1.11 0.44 -0.31 0.00 0.00 175.10 175.86 1sks h ASP 375 N 2.28 0.59 -2.49 4.85 3.32 -1.95 -3.45 116.42 119.57 1sks h ASP 375 Ca -0.40 -0.76 -0.53 0.00 0.02 0.00 0.00 57.03 55.37 1sks h ASP 375 Cb 1.25 -0.18 0.03 0.00 0.22 0.00 0.00 39.33 40.65 1sks h ASP 375 CO 0.63 1.27 1.15 -0.62 -1.72 0.00 0.00 179.24 179.94 1sks s ASP 376 N -6.82 6.44 0.10 6.45 2.15 -1.26 -4.90 116.67 118.82 1sks s ASP 376 Ca -0.13 2.72 -0.22 0.00 0.43 0.00 0.00 52.55 55.36 1sks s ASP 376 Cb 0.04 -2.55 -0.11 0.00 -0.30 0.00 0.00 42.92 39.99 1sks s ASP 376 CO 0.84 -1.02 1.73 1.55 -0.17 0.00 0.00 175.17 178.10 1sks h PRO 377 N 9.21 0.02 -0.41 4.34 0.13 -2.00 -1.83 132.00 141.46 1sks h PRO 377 Ca -0.47 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1sks h PRO 377 Cb 1.22 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1sks h PRO 377 CO 0.95 0.02 0.01 1.49 -0.23 0.00 0.00 178.00 180.24 1sks h GLU 378 N 0.03 0.66 -0.52 0.86 4.81 -1.99 -1.94 114.58 116.49 1sks h GLU 378 Ca 0.03 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 1sks h GLU 378 Cb 0.03 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1sks h GLU 378 CO -0.05 0.67 -0.12 0.87 -0.73 0.00 0.00 179.01 179.65 1sks h LYS 379 N 0.62 0.99 -0.32 1.92 6.56 -1.92 -1.79 116.57 122.63 1sks h LYS 379 Ca 0.13 -0.36 -0.09 0.00 -1.06 0.00 0.00 60.65 59.26 1sks h LYS 379 Cb 0.37 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.95 1sks h LYS 379 CO 0.01 1.04 -0.19 0.37 -2.06 0.00 0.00 179.45 178.63 1sks h GLN 380 N 0.88 0.59 0.00 3.15 5.75 -0.97 -2.81 115.11 121.69 1sks h GLN 380 Ca 0.14 -0.20 -0.13 0.00 -0.15 0.00 0.00 58.65 58.30 1sks h GLN 380 Cb 0.67 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 1sks h GLN 380 CO 0.05 0.74 -0.60 0.00 -2.65 0.00 0.00 178.83 176.37 1sks h ALA 381 N 1.27 0.78 0.00 3.38 0.00 -1.16 -3.12 119.26 120.41 1sks h ALA 381 Ca 0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1sks h ALA 381 Cb 0.62 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1sks h ALA 381 CO 0.04 0.76 -0.15 0.00 0.00 0.00 0.00 179.25 179.90 1sks h ALA 382 N 1.40 1.33 -0.74 0.00 0.00 -1.06 -2.66 119.26 117.53 1sks h ALA 382 Ca -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1sks h ALA 382 Cb 1.24 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1sks h ALA 382 CO 0.08 0.19 0.48 0.82 0.00 0.00 0.00 179.25 180.81 1sks h ILE 383 N 0.00 1.14 -0.00 0.00 2.04 -1.52 0.13 117.51 119.29 1sks h ILE 383 Ca -0.00 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1sks h ILE 383 Cb 0.38 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1sks h ILE 383 CO 0.02 0.17 -0.25 0.44 0.00 0.00 0.00 178.15 178.53 1sks h ASP 384 N 0.95 0.01 0.60 1.72 3.32 -1.65 -0.55 116.42 120.81 1sks h ASP 384 Ca 0.29 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.18 1sks h ASP 384 Cb -0.04 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1sks h ASP 384 CO -0.09 0.26 -0.69 -0.07 -1.72 0.00 0.00 179.24 176.93 1sks h LEU 385 N 0.01 0.09 -0.15 1.55 3.38 -1.10 -2.20 115.31 116.89 1sks h LEU 385 Ca -0.00 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1sks h LEU 385 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1sks h LEU 385 CO 0.03 0.75 -0.40 0.40 0.09 0.00 0.00 178.44 179.32 1sks h ILE 386 N 0.05 1.35 -0.72 1.22 2.04 0.22 -0.77 117.51 120.90 1sks h ILE 386 Ca -0.01 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.14 1sks h ILE 386 Cb 1.22 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 1sks h ILE 386 CO 0.10 0.51 0.31 0.11 0.00 0.00 0.00 178.15 179.17 1sks h LYS 387 N 0.16 1.06 -0.47 2.37 1.57 -1.11 -1.13 116.57 119.02 1sks h LYS 387 Ca -0.01 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 1sks h LYS 387 Cb 1.01 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1sks h LYS 387 CO 0.09 0.84 -0.05 1.49 -0.57 0.00 0.00 179.45 181.25 1sks h GLU 388 N 1.04 0.86 -0.56 3.15 4.81 -1.34 -2.61 114.58 119.94 1sks h GLU 388 Ca 0.25 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1sks h GLU 388 Cb 0.17 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1sks h GLU 388 CO -0.02 0.93 0.33 -0.92 -0.73 0.00 0.00 179.01 178.60 1sks h TYR 389 N 0.71 0.62 -0.55 0.92 5.03 -0.55 -1.42 116.97 121.74 1sks h TYR 389 Ca 0.13 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.44 1sks h TYR 389 Cb 0.58 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.63 1sks h TYR 389 CO 0.04 0.35 0.27 -0.07 -1.32 0.00 0.00 178.16 177.43 1sks h LEU 390 N 0.65 0.71 -0.85 2.82 3.38 -1.11 -1.86 115.31 119.05 1sks h LEU 390 Ca 0.23 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1sks h LEU 390 Cb 0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1sks h LEU 390 CO -0.11 0.63 0.13 -0.03 0.09 0.00 0.00 178.44 179.15 1sks h MET 391 N 0.74 0.99 -0.56 1.13 4.05 -1.18 -1.92 114.93 118.17 1sks h MET 391 Ca 0.19 -0.23 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 1sks h MET 391 Cb 0.10 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1sks h MET 391 CO -0.03 0.89 0.08 0.82 0.23 0.00 0.00 176.91 178.91 1sks h ILE 392 N 0.94 1.24 -0.52 1.77 1.08 -0.99 -1.91 117.51 119.11 1sks h ILE 392 Ca 0.20 -0.94 -0.10 0.00 -0.39 0.00 0.00 64.86 63.63 1sks h ILE 392 Cb 0.36 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 1sks h ILE 392 CO 0.00 0.34 -0.07 1.56 -0.69 0.00 0.00 178.15 179.30 1sks h GLN 393 N 0.85 0.93 0.16 2.37 1.08 -0.96 -0.30 115.11 119.23 1sks h GLN 393 Ca 0.17 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1sks h GLN 393 Cb 0.38 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1sks h GLN 393 CO 0.01 0.96 -0.14 -0.22 -0.95 0.00 0.00 178.83 178.49 1sks h LYS 394 N 0.84 -0.31 -0.68 1.46 1.63 -0.98 0.98 116.57 119.50 1sks h LYS 394 Ca 0.14 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.93 1sks h LYS 394 Cb 0.59 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 1sks h LYS 394 CO 0.04 -0.21 0.30 0.00 -3.45 0.00 0.00 179.45 176.13 1sks h ARG 395 N -0.32 1.01 -0.63 1.90 2.47 -1.15 -1.54 114.38 116.11 1sks h ARG 395 Ca 0.00 -0.17 -0.09 0.00 -1.26 0.00 0.00 59.98 58.46 1sks h ARG 395 Cb 0.30 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1sks h ARG 395 CO -0.03 0.82 0.06 0.82 0.56 0.00 0.00 179.97 182.20 1sks h ILE 396 N 0.96 1.26 0.01 2.04 2.04 -0.92 -1.83 117.51 121.08 1sks h ILE 396 Ca 0.23 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 1sks h ILE 396 Cb 0.17 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1sks h ILE 396 CO -0.02 0.40 -0.00 1.23 0.00 0.00 0.00 178.15 179.75 1sks h GLY 397 N 1.03 -0.01 1.49 5.37 0.00 -0.51 0.41 103.07 110.85 1sks h GLY 397 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 1sks h GLY 397 CO 0.02 -0.00 -0.06 -1.61 0.00 0.00 0.00 176.54 174.89 1sks h GLN 398 N -0.18 0.62 0.00 4.80 4.15 -1.22 0.18 115.11 123.46 1sks h GLN 398 Ca -0.00 -0.17 -0.27 0.00 0.77 0.00 0.00 58.65 58.98 1sks h GLN 398 Cb 0.18 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 1sks h GLN 398 CO 0.00 0.68 -1.93 -1.13 -1.93 0.00 0.00 178.83 174.52 1sks n SER 399 N -4.22 0.47 0.00 -0.69 3.41 -0.69 -2.20 113.62 109.70 1sks n SER 399 Ca 0.01 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1sks n SER 399 Cb 0.30 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1sks n SER 399 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sks n ALA 400 N -2.57 1.51 -0.02 7.33 0.00 0.02 -2.19 120.51 124.59 1sks n ALA 400 Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.31 1sks n ALA 400 Cb 1.01 0.02 -0.14 0.00 0.00 0.00 0.00 19.45 20.34 1sks n ALA 400 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sks n GLU 401 N -1.05 0.62 -0.82 0.00 1.02 -0.51 -4.80 120.64 115.10 1sks n GLU 401 Ca 0.00 -0.15 -0.30 0.00 -0.02 0.00 0.00 57.16 56.69 1sks n GLU 401 Cb 0.03 -1.44 0.17 0.00 -0.02 0.00 0.00 31.44 30.18 1sks n GLU 401 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1sks s GLY 402 N -4.20 1.64 0.46 0.62 0.00 0.64 -4.89 107.32 101.59 1sks s GLY 402 Ca -0.07 0.28 0.17 0.00 0.00 0.00 0.00 44.72 45.10 1sks s GLY 402 CO 0.76 0.77 2.00 -0.55 0.00 0.00 0.00 173.10 176.07 1sks h ASP 403 N -1.89 0.00 -0.44 1.64 5.19 -1.94 -2.49 116.42 116.48 1sks h ASP 403 Ca -0.48 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.76 1sks h ASP 403 Cb 1.28 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.69 1sks h ASP 403 CO 0.47 0.18 0.07 0.29 -3.12 0.00 0.00 179.24 177.13 1sks n LYS 404 N -4.15 2.48 -1.66 3.56 4.76 -1.26 -4.99 118.16 116.90 1sks n LYS 404 Ca -0.02 -3.05 -0.36 0.00 -2.87 0.00 0.00 58.31 52.01 1sks n LYS 404 Cb 0.25 -1.92 0.07 0.00 -1.84 0.00 0.00 35.03 31.60 1sks n LYS 404 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sks s ALA 405 N -3.09 2.30 0.20 7.82 0.00 -0.94 -4.65 121.76 123.40 1sks s ALA 405 Ca 0.47 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 1sks s ALA 405 Cb 0.40 -3.52 0.13 0.00 0.00 0.00 0.00 23.12 20.13 1sks s ALA 405 CO 0.06 -1.66 1.87 -1.49 0.00 0.00 0.00 175.76 174.54 1sks h TRP 406 N 0.30 0.88 0.00 0.00 6.55 -1.35 -2.17 115.95 120.16 1sks h TRP 406 Ca -0.50 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.36 1sks h TRP 406 Cb 1.32 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 29.32 1sks h TRP 406 CO 0.43 0.56 0.00 -0.07 -1.05 0.00 0.00 178.44 178.31 1sks h LEU 407 N 0.95 0.00 0.00 -4.49 3.38 -1.75 -1.14 115.31 112.26 1sks h LEU 407 Ca 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1sks h LEU 407 Cb -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1sks h LEU 407 CO -0.06 0.00 -0.72 0.03 0.09 0.00 0.00 178.44 177.78 1sks h ARG 408 N 0.00 0.00 0.00 1.13 3.08 -1.68 -3.37 114.38 113.54 1sks h ARG 408 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sks h ARG 408 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1sks h ARG 408 CO 0.00 0.07 -1.68 0.66 -1.07 0.00 0.00 179.97 177.95 1sks n TYR 409 N -2.87 0.10 -1.68 3.04 4.01 -0.49 -4.97 117.16 114.30 1sks n TYR 409 Ca 0.00 0.03 -0.44 0.00 -0.16 0.00 0.00 57.90 57.33 1sks n TYR 409 Cb 0.59 -0.45 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 1sks n TYR 409 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1sks n VAL 410 N -2.15 0.86 -2.74 -0.72 0.24 -0.82 -4.61 118.33 108.38 1sks n VAL 410 Ca -0.02 -0.21 -0.21 0.00 -2.04 0.00 0.00 64.34 61.86 1sks n VAL 410 Cb 0.52 -1.56 0.06 0.00 -1.47 0.00 0.00 33.84 31.39 1sks n VAL 410 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sks s ALA 411 N 0.06 4.07 0.46 2.33 0.00 -0.03 -4.94 121.76 123.71 1sks s ALA 411 Ca 0.69 -1.65 0.31 0.00 0.00 0.00 0.00 51.96 51.31 1sks s ALA 411 Cb -0.63 -1.88 1.67 0.00 0.00 0.00 0.00 23.12 22.28 1sks s ALA 411 CO 0.48 -0.92 2.15 0.93 0.00 0.00 0.00 175.76 178.39 1sks h GLU 412 N -0.02 0.00 -0.03 0.00 4.39 -1.94 -0.98 114.58 116.00 1sks h GLU 412 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1sks h GLU 412 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1sks h GLU 412 CO 0.45 0.07 0.00 -0.40 -1.16 0.00 0.00 179.01 177.97 1sks n ASP 413 N -3.56 0.21 -0.85 1.42 5.68 -1.26 -4.87 116.55 113.32 1sks n ASP 413 Ca -0.02 -1.79 -0.08 0.00 -0.50 0.00 0.00 54.79 52.41 1sks n ASP 413 Cb 0.19 -0.02 -0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1sks n ASP 413 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sks n GLY 414 N 0.67 0.10 3.17 6.12 0.00 -0.37 -4.99 105.19 109.89 1sks n GLY 414 Ca 0.06 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1sks n GLY 414 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sks s LYS 415 N -4.29 0.84 -0.22 1.61 1.02 -1.25 -1.61 119.74 115.84 1sks s LYS 415 Ca 0.00 -1.15 -0.08 0.00 0.02 0.00 0.00 55.97 54.76 1sks s LYS 415 Cb 0.00 -0.53 -0.04 0.00 -0.52 0.00 0.00 37.83 36.75 1sks s LYS 415 CO 0.00 0.08 0.08 0.42 -0.92 0.00 0.00 175.35 175.01 1sks s ILE 416 N -2.43 4.70 -1.02 2.17 1.01 -0.83 -0.85 121.20 123.95 1sks s ILE 416 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 1sks s ILE 416 Cb -0.03 -3.16 0.25 0.00 0.01 0.00 0.00 42.46 39.54 1sks s ILE 416 CO -0.00 0.40 0.97 -1.00 0.00 0.00 0.00 174.94 175.31 1sks s HIS 417 N 0.94 4.12 0.40 3.97 3.76 -1.26 -1.50 115.29 125.71 1sks s HIS 417 Ca 0.04 -2.80 -0.25 0.00 -0.15 0.00 0.00 55.06 51.90 1sks s HIS 417 Cb -0.14 -3.61 -0.09 0.00 1.11 0.00 0.00 32.58 29.86 1sks s HIS 417 CO 0.03 -0.87 1.11 0.20 -0.85 0.00 0.00 174.74 174.36 1sks s GLY 418 N 0.79 2.82 0.45 -2.22 0.00 -1.26 -4.81 107.32 103.09 1sks s GLY 418 Ca 0.29 0.84 -0.19 0.00 0.00 0.00 0.00 44.72 45.67 1sks s GLY 418 CO -0.10 1.32 0.95 -0.45 0.00 0.00 0.00 173.10 174.82 1sks s SER 419 N -1.33 6.81 -0.07 1.64 0.15 0.14 -4.70 113.70 116.34 1sks s SER 419 Ca 0.57 1.61 -0.03 0.00 0.70 0.00 0.00 55.95 58.80 1sks s SER 419 Cb -0.27 -2.51 0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1sks s SER 419 CO 0.34 -0.43 0.15 -0.69 1.20 0.00 0.00 173.24 173.81 1sks s VAL 420 N -2.33 -0.12 -0.55 4.45 1.01 -1.26 -1.81 120.40 119.78 1sks s VAL 420 Ca 0.60 0.24 -0.17 0.00 0.00 0.00 0.00 61.98 62.65 1sks s VAL 420 Cb -0.09 -0.26 0.12 0.00 0.00 0.00 0.00 36.38 36.14 1sks s VAL 420 CO 0.20 0.10 0.55 0.21 0.00 0.00 0.00 175.10 176.16 1sks s ASN 421 N 1.55 6.19 0.52 3.32 3.84 -0.03 -4.94 114.94 125.39 1sks s ASN 421 Ca -0.05 -1.67 0.37 0.00 0.21 0.00 0.00 52.86 51.73 1sks s ASN 421 Cb -0.12 -2.23 1.53 0.00 -0.55 0.00 0.00 41.25 39.89 1sks s ASN 421 CO -0.06 -0.91 1.72 -0.65 -2.79 0.00 0.00 177.10 174.41 1sks h PRO 422 N 8.96 0.05 -1.20 0.43 0.11 -1.91 -1.69 132.00 136.75 1sks h PRO 422 Ca -0.30 -0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.37 1sks h PRO 422 Cb 1.10 -0.01 -0.41 0.00 0.11 0.00 0.00 31.00 31.79 1sks h PRO 422 CO 1.05 0.04 -1.03 -1.71 -0.21 0.00 0.00 178.00 176.13 1sks n ASN 423 N -4.23 2.59 0.01 -2.05 5.15 -1.26 -3.82 115.26 111.64 1sks n ASN 423 Ca 0.32 -3.07 0.11 0.00 -0.60 0.00 0.00 54.58 51.34 1sks n ASN 423 Cb 1.42 -0.51 0.50 0.00 -0.53 0.00 0.00 39.78 40.67 1sks n ASN 423 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sks n GLY 424 N -0.20 -1.33 3.39 8.20 0.00 -0.86 -4.79 105.19 109.60 1sks n GLY 424 Ca 0.20 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1sks n GLY 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sks s ALA 425 N -3.01 2.38 0.31 4.61 0.00 -0.64 -4.86 121.76 120.54 1sks s ALA 425 Ca 0.11 -1.46 0.07 0.00 0.00 0.00 0.00 51.96 50.68 1sks s ALA 425 Cb 0.15 -0.39 0.80 0.00 0.00 0.00 0.00 23.12 23.69 1sks s ALA 425 CO 0.44 0.54 1.73 0.28 0.00 0.00 0.00 175.76 178.75 1sks h VAL 426 N 3.89 0.56 0.00 0.00 2.07 -1.87 0.02 116.25 120.92 1sks h VAL 426 Ca -0.51 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1sks h VAL 426 Cb 1.17 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1sks h VAL 426 CO 0.39 0.10 0.00 0.35 0.02 0.00 0.00 177.57 178.44 1sks n THR 427 N -4.90 1.05 0.00 2.57 -2.24 -1.26 -4.68 114.28 104.82 1sks n THR 427 Ca 0.25 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1sks n THR 427 Cb 0.68 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1sks n THR 427 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sks n GLY 428 N -0.11 0.68 3.80 3.38 0.00 -0.01 -4.39 105.19 108.55 1sks n GLY 428 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1sks n GLY 428 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sks s ARG 429 N -0.92 3.62 0.34 1.61 0.52 -1.25 -4.74 118.95 118.13 1sks s ARG 429 Ca 0.00 1.29 -0.07 0.00 -0.52 0.00 0.00 55.73 56.43 1sks s ARG 429 Cb 0.00 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.34 1sks s ARG 429 CO 0.00 -0.57 0.64 0.00 0.02 0.00 0.00 175.30 175.39 1sks s ALA 430 N -2.18 3.51 0.06 2.13 0.00 -1.25 -1.62 121.76 122.40 1sks s ALA 430 Ca 0.66 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.29 1sks s ALA 430 Cb -0.16 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1sks s ALA 430 CO 0.27 0.14 -0.20 0.95 0.00 0.00 0.00 175.76 176.92 1sks s THR 431 N -2.20 2.67 0.03 0.00 -4.23 -0.69 -4.79 115.64 106.43 1sks s THR 431 Ca 0.47 -1.29 0.09 0.00 -1.18 0.00 0.00 61.69 59.78 1sks s THR 431 Cb -0.11 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 1sks s THR 431 CO 0.30 0.30 -0.26 -1.00 -0.54 0.00 0.00 174.62 173.42 1sks s HIS 432 N -0.94 2.27 0.14 3.99 3.76 -1.26 -0.85 115.29 122.40 1sks s HIS 432 Ca 0.15 -0.41 -0.25 0.00 -0.15 0.00 0.00 55.06 54.40 1sks s HIS 432 Cb -0.10 -1.38 0.07 0.00 1.11 0.00 0.00 32.58 32.27 1sks s HIS 432 CO 0.05 0.09 0.80 0.00 -0.85 0.00 0.00 174.74 174.83 1sks s ALA 433 N -0.77 -1.59 -1.14 -1.40 0.00 -0.75 -4.48 121.76 111.63 1sks s ALA 433 Ca 0.11 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1sks s ALA 433 Cb -0.10 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1sks s ALA 433 CO 0.01 -0.88 0.92 1.19 0.00 0.00 0.00 175.76 177.00 1sks n PHE 434 N -0.39 -2.26 -2.78 0.00 3.72 -1.26 -0.69 117.46 113.81 1sks n PHE 434 Ca -0.09 0.86 -0.20 0.00 -0.05 0.00 0.00 57.45 57.97 1sks n PHE 434 Cb 0.62 -4.49 0.03 0.00 -0.94 0.00 0.00 39.48 34.70 1sks n PHE 434 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1sks s PRO 435 N -5.06 2.65 -0.84 -1.08 0.04 -1.26 -3.82 135.00 125.63 1sks s PRO 435 Ca 0.23 -0.94 -0.26 0.00 0.04 0.00 0.00 61.00 60.08 1sks s PRO 435 Cb -0.04 -2.59 0.04 0.00 0.04 0.00 0.00 34.50 31.95 1sks s PRO 435 CO 0.75 -0.55 1.34 1.21 0.04 0.00 0.00 177.00 179.79 1sks s ASN 436 N -4.39 6.28 0.00 6.66 3.84 -1.26 -4.49 114.94 121.57 1sks s ASN 436 Ca 0.56 -0.80 0.19 0.00 0.21 0.00 0.00 52.86 53.02 1sks s ASN 436 Cb -0.10 -2.56 1.03 0.00 -0.55 0.00 0.00 41.25 39.07 1sks s ASN 436 CO 0.36 -1.72 1.56 0.18 -2.79 0.00 0.00 177.10 174.69 1sks n LEU 437 N 9.20 0.00 -0.59 3.21 4.77 -1.26 -2.34 117.00 129.98 1sks n LEU 437 Ca 0.13 0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 1sks n LEU 437 Cb 0.50 -0.16 0.41 0.00 -2.33 0.00 0.00 43.42 41.84 1sks n LEU 437 CO 0.69 -0.06 0.80 0.00 -1.33 0.00 0.00 177.39 177.49 1sks n ALA 438 N -1.16 2.53 -1.78 -1.18 0.00 -1.26 -4.07 120.51 113.60 1sks n ALA 438 Ca 0.11 -0.53 0.06 0.00 0.00 0.00 0.00 53.44 53.08 1sks n ALA 438 Cb 0.11 -1.09 0.16 0.00 0.00 0.00 0.00 19.45 18.63 1sks n ALA 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sks n GLN 439 N 0.42 1.16 -2.36 0.00 10.64 -0.99 -5.05 117.38 121.21 1sks n GLN 439 Ca 0.17 -2.90 -0.41 0.00 -1.83 0.00 0.00 57.00 52.04 1sks n GLN 439 Cb 0.38 -1.21 -0.03 0.00 -0.86 0.00 0.00 30.24 28.52 1sks n GLN 439 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1sks s ILE 440 N -2.39 3.44 0.23 -0.39 -1.09 -1.26 -4.94 121.20 114.81 1sks s ILE 440 Ca 0.36 1.28 -0.31 0.00 -2.23 0.00 0.00 60.65 59.74 1sks s ILE 440 Cb 0.36 -3.81 -0.14 0.00 -1.58 0.00 0.00 42.46 37.29 1sks s ILE 440 CO -0.08 0.23 1.34 -2.65 -1.23 0.00 0.00 174.94 172.55 1sks n PRO 441 N 2.08 1.85 -1.68 2.79 -0.02 -1.26 -4.96 135.00 133.81 1sks n PRO 441 Ca 0.03 0.66 -0.31 0.00 -2.02 0.00 0.00 63.50 61.85 1sks n PRO 441 Cb 0.44 -2.27 0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1sks n PRO 441 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1sks s GLY 442 N 0.18 1.73 0.58 -1.23 0.00 -1.26 -4.52 107.32 102.80 1sks s GLY 442 Ca 0.68 0.11 0.28 0.00 0.00 0.00 0.00 44.72 45.79 1sks s GLY 442 CO 0.51 0.41 2.15 -0.39 0.00 0.00 0.00 173.10 175.78 1sks h VAL 443 N -0.50 0.53 0.00 1.40 -1.51 -1.92 -1.76 116.25 112.48 1sks h VAL 443 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1sks h VAL 443 Cb 1.21 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1sks h VAL 443 CO 0.57 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.45 1sks n ARG 444 N -3.88 0.28 -3.90 5.19 1.74 -1.26 -4.21 116.66 110.62 1sks n ARG 444 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.88 1sks n ARG 444 Cb 0.24 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 1sks n ARG 444 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1sks s SER 445 N -2.71 5.71 -0.01 0.55 1.04 -0.66 -5.03 113.70 112.59 1sks s SER 445 Ca 0.23 -0.23 -0.36 0.00 0.48 0.00 0.00 55.95 56.08 1sks s SER 445 Cb 0.20 -1.36 -0.14 0.00 0.10 0.00 0.00 66.02 64.81 1sks s SER 445 CO 0.48 -0.19 1.65 -2.65 0.98 0.00 0.00 173.24 173.51 1sks n PRO 446 N -1.36 1.78 -0.84 4.02 -0.02 -1.26 -1.19 135.00 136.13 1sks n PRO 446 Ca -0.05 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1sks n PRO 446 Cb 0.58 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1sks n PRO 446 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1sks n TYR 447 N 4.59 0.00 -0.22 6.00 4.01 -1.26 -4.88 117.16 125.39 1sks n TYR 447 Ca 0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.93 1sks n TYR 447 Cb 0.24 -0.91 0.19 0.00 -0.31 0.00 0.00 39.34 38.55 1sks n TYR 447 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1sks h GLY 448 N 0.00 1.09 1.00 2.72 0.00 -1.32 -1.94 103.07 104.63 1sks h GLY 448 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1sks h GLY 448 CO 0.00 0.46 0.34 0.83 0.00 0.00 0.00 176.54 178.17 1sks h GLU 449 N 1.03 0.93 -0.36 4.80 5.08 -1.77 0.59 114.58 124.88 1sks h GLU 449 Ca 0.26 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1sks h GLU 449 Cb 0.03 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1sks h GLU 449 CO -0.04 0.72 -0.35 1.96 -1.00 0.00 0.00 179.01 180.30 1sks h GLN 450 N 0.90 0.82 0.14 2.33 4.20 -1.90 -0.76 115.11 120.85 1sks h GLN 450 Ca 0.23 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1sks h GLN 450 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1sks h GLN 450 CO -0.03 1.04 -0.07 0.00 -0.67 0.00 0.00 178.83 179.10 1sks h ARG 452 N -0.50 0.94 0.00 0.00 9.65 -0.91 -2.49 114.38 121.07 1sks h ARG 452 Ca -0.02 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.73 1sks h ARG 452 Cb 0.39 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1sks h ARG 452 CO 0.03 0.72 -0.05 0.00 2.80 0.00 0.00 179.97 183.47 1sks h ALA 453 N 1.42 1.04 0.00 2.80 0.00 -1.11 -2.43 119.26 120.99 1sks h ALA 453 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sks h ALA 453 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1sks h ALA 453 CO -0.03 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1sks h ALA 454 N 1.95 1.00 -3.15 0.00 0.00 -1.25 -3.42 119.26 114.39 1sks h ALA 454 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1sks h ALA 454 Cb 0.45 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.06 1sks h ALA 454 CO 0.01 0.00 -0.58 -0.06 0.00 0.00 0.00 179.25 178.62 1sks s PHE 455 N -3.25 3.20 0.00 0.00 0.40 -0.92 -0.71 117.98 116.70 1sks s PHE 455 Ca 0.07 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 1sks s PHE 455 Cb 0.10 -2.15 0.00 0.00 0.51 0.00 0.00 43.02 41.47 1sks s PHE 455 CO 0.54 -0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.85 1sks n GLY 456 N 4.09 2.59 0.32 4.36 0.00 -0.84 -0.77 105.19 114.93 1sks n GLY 456 Ca -0.16 -0.47 0.18 0.00 0.00 0.00 0.00 46.02 45.57 1sks n GLY 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sks h ALA 457 N 0.00 1.34 0.00 4.61 0.00 -1.82 -1.77 119.26 121.63 1sks h ALA 457 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sks h ALA 457 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sks h ALA 457 CO 0.00 -0.05 -0.04 1.05 0.00 0.00 0.00 179.25 180.21 1sks h GLU 458 N 0.00 0.00 -0.00 0.00 4.11 -1.27 -1.11 114.58 116.31 1sks h GLU 458 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1sks h GLU 458 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1sks h GLU 458 CO -0.00 0.04 -0.02 0.72 0.07 0.00 0.00 179.01 179.82 1sks n HIS 459 N -3.40 0.00 -3.91 2.06 8.25 -0.66 -4.52 115.22 113.03 1sks n HIS 459 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 1sks n HIS 459 Cb 0.17 -0.12 -0.12 0.00 1.12 0.00 0.00 29.99 31.04 1sks n HIS 459 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1sks s HIS 460 N -2.27 3.12 -0.17 4.41 5.65 -0.43 -4.77 115.29 120.83 1sks s HIS 460 Ca 0.37 -0.27 -0.13 0.00 0.25 0.00 0.00 55.06 55.29 1sks s HIS 460 Cb 0.21 -2.16 -0.05 0.00 -1.18 0.00 0.00 32.58 29.40 1sks s HIS 460 CO 0.42 -0.18 0.26 -0.51 -0.65 0.00 0.00 174.74 174.08 1sks s LEU 461 N 1.11 4.24 0.23 8.88 1.43 -1.26 -2.00 118.68 131.32 1sks s LEU 461 Ca 0.04 0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 53.28 1sks s LEU 461 Cb -0.14 -2.31 -0.14 0.00 0.03 0.00 0.00 46.19 43.62 1sks s LEU 461 CO 0.03 0.12 1.21 -0.67 0.23 0.00 0.00 176.35 177.27 1sks n ASP 462 N 3.52 1.86 0.14 2.29 2.03 0.40 -4.76 116.55 122.04 1sks n ASP 462 Ca -0.13 1.15 0.06 0.00 0.52 0.00 0.00 54.79 56.39 1sks n ASP 462 Cb 0.52 -1.32 0.53 0.00 -0.72 0.00 0.00 41.12 40.14 1sks n ASP 462 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1sks h GLY 463 N 3.26 0.26 0.00 0.27 0.00 -1.91 0.53 103.07 105.48 1sks h GLY 463 Ca -0.43 -0.10 -0.15 0.00 0.00 0.00 0.00 47.33 46.65 1sks h GLY 463 CO 0.69 0.10 -1.08 1.39 0.00 0.00 0.00 176.54 177.64 1sks n ILE 464 N -4.49 1.49 0.94 2.60 2.08 -1.26 -4.65 119.36 116.06 1sks n ILE 464 Ca -0.00 0.05 0.11 0.00 0.56 0.00 0.00 62.75 63.47 1sks n ILE 464 Cb 0.09 -2.18 0.13 0.00 -0.75 0.00 0.00 39.64 36.93 1sks n ILE 464 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1sks n THR 465 N -4.49 0.03 -0.92 1.39 -2.24 -1.24 -4.96 114.28 101.86 1sks n THR 465 Ca -0.23 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1sks n THR 465 Cb 0.53 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1sks n THR 465 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sks n GLY 466 N 1.48 0.47 3.77 3.38 0.00 0.18 -4.92 105.19 109.55 1sks n GLY 466 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1sks n GLY 466 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sks s LYS 467 N -0.55 4.48 0.85 1.61 -0.14 -1.26 -4.40 119.74 120.32 1sks s LYS 467 Ca 0.00 1.05 -0.12 0.00 -1.36 0.00 0.00 55.97 55.54 1sks s LYS 467 Cb 0.00 -3.29 0.10 0.00 -1.68 0.00 0.00 37.83 32.96 1sks s LYS 467 CO 0.00 0.48 1.15 -0.35 -0.76 0.00 0.00 175.35 175.88 1sks n PRO 468 N 2.03 -0.04 -2.60 -1.68 -0.04 -1.26 -0.45 135.00 130.97 1sks n PRO 468 Ca -0.05 0.07 -0.21 0.00 -0.04 0.00 0.00 63.50 63.26 1sks n PRO 468 Cb 0.50 -2.39 0.04 0.00 -0.04 0.00 0.00 33.50 31.60 1sks n PRO 468 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1sks s TRP 469 N -2.29 2.86 0.21 0.54 0.52 -0.84 -4.77 118.94 115.16 1sks s TRP 469 Ca 0.71 0.03 0.09 0.00 0.02 0.00 0.00 56.10 56.94 1sks s TRP 469 Cb -0.27 -2.79 -0.04 0.00 -1.15 0.00 0.00 33.47 29.21 1sks s TRP 469 CO 0.54 -0.92 -0.06 0.08 0.02 0.00 0.00 176.95 176.60 1sks s VAL 470 N -2.81 3.31 -0.05 4.03 1.01 0.04 -3.20 120.40 122.74 1sks s VAL 470 Ca 0.58 -1.72 0.04 0.00 0.00 0.00 0.00 61.98 60.87 1sks s VAL 470 Cb -0.10 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1sks s VAL 470 CO 0.39 -0.20 -0.16 -1.58 0.00 0.00 0.00 175.10 173.56 1sks s GLN 471 N -3.11 2.45 -0.22 2.72 0.74 0.75 -0.03 119.66 122.96 1sks s GLN 471 Ca 0.27 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.96 1sks s GLN 471 Cb -0.08 -2.34 0.03 0.00 1.10 0.00 0.00 33.01 31.72 1sks s GLN 471 CO 0.17 0.62 -0.13 0.00 -0.55 0.00 0.00 175.29 175.39 1sks s ALA 472 N -0.72 2.52 -0.26 1.58 0.00 0.20 -1.55 121.76 123.53 1sks s ALA 472 Ca 0.11 -1.39 -0.11 0.00 0.00 0.00 0.00 51.96 50.56 1sks s ALA 472 Cb -0.11 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.52 1sks s ALA 472 CO 0.00 -0.66 0.21 0.20 0.00 0.00 0.00 175.76 175.52 1sks s GLY 473 N 1.28 1.96 -0.10 0.00 0.00 0.86 -1.21 107.32 110.10 1sks s GLY 473 Ca 0.01 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.81 1sks s GLY 473 CO -0.08 0.59 -0.18 -0.42 0.00 0.00 0.00 173.10 173.01 1sks s ILE 474 N 1.49 1.67 0.00 0.90 1.01 -0.70 -0.13 121.20 125.44 1sks s ILE 474 Ca 0.09 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1sks s ILE 474 Cb -0.15 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 1sks s ILE 474 CO 0.08 0.47 -0.22 -0.62 0.00 0.00 0.00 174.94 174.65 1sks s ASP 475 N 0.72 2.63 0.00 3.58 3.68 -0.11 -1.68 116.67 125.50 1sks s ASP 475 Ca -0.12 -0.44 -0.28 0.00 2.13 0.00 0.00 52.55 53.84 1sks s ASP 475 Cb -0.16 -0.27 -0.04 0.00 -1.45 0.00 0.00 42.92 41.00 1sks s ASP 475 CO 0.02 0.25 0.90 0.00 0.13 0.00 0.00 175.17 176.47 1sks s ALA 476 N -0.60 3.23 -0.04 3.66 0.00 -0.56 -1.36 121.76 126.07 1sks s ALA 476 Ca 0.09 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 1sks s ALA 476 Cb -0.09 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1sks s ALA 476 CO -0.00 -0.15 1.01 -1.12 0.00 0.00 0.00 175.76 175.50 1sks s SER 477 N 0.75 7.29 -0.83 0.00 0.01 -0.72 -4.23 113.70 115.98 1sks s SER 477 Ca 0.47 1.63 -0.04 0.00 1.31 0.00 0.00 55.95 59.32 1sks s SER 477 Cb -0.21 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.47 1sks s SER 477 CO 0.26 -0.36 0.08 0.61 0.41 0.00 0.00 173.24 174.23 1sks n GLY 478 N 3.02 -0.15 0.23 3.44 0.00 -1.26 -4.72 105.19 105.74 1sks n GLY 478 Ca 0.08 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1sks n GLY 478 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sks h LEU 479 N -0.47 0.29 -0.51 0.99 5.85 -1.95 -2.75 115.31 116.76 1sks h LEU 479 Ca -0.38 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1sks h LEU 479 Cb 0.78 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1sks h LEU 479 CO 0.38 0.18 0.24 -0.33 -0.34 0.00 0.00 178.44 178.57 1sks h GLU 480 N 0.45 0.73 -0.51 1.25 4.39 -1.94 -1.50 114.58 117.45 1sks h GLU 480 Ca 0.28 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 1sks h GLU 480 Cb 0.29 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1sks h GLU 480 CO -0.25 0.61 0.08 -0.07 -1.16 0.00 0.00 179.01 178.22 1sks h LEU 481 N 0.67 0.76 -0.78 1.33 3.38 -1.91 -1.07 115.31 117.70 1sks h LEU 481 Ca 0.17 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1sks h LEU 481 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1sks h LEU 481 CO -0.02 0.78 -0.33 0.03 0.09 0.00 0.00 178.44 178.99 1sks h ARG 482 N 0.77 0.55 -0.55 1.13 3.08 -1.27 0.67 114.38 118.77 1sks h ARG 482 Ca 0.16 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 1sks h ARG 482 Cb 0.35 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1sks h ARG 482 CO 0.01 0.81 -0.06 0.00 -1.07 0.00 0.00 179.97 179.65 1sks h LEU 484 N 0.89 0.69 -0.72 0.00 5.85 -0.83 -1.91 115.31 119.29 1sks h LEU 484 Ca 0.15 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1sks h LEU 484 Cb 0.62 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1sks h LEU 484 CO 0.04 0.62 0.46 0.00 -0.34 0.00 0.00 178.44 179.22 1sks h ALA 485 N 1.11 0.92 -0.08 1.25 0.00 -0.49 -1.91 119.26 120.06 1sks h ALA 485 Ca 0.19 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1sks h ALA 485 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1sks h ALA 485 CO -0.03 0.29 -0.05 1.25 0.00 0.00 0.00 179.25 180.71 1sks h HIS 486 N 0.93 -0.12 0.00 0.00 -0.00 -0.47 -2.38 115.15 113.11 1sks h HIS 486 Ca 0.27 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.60 1sks h HIS 486 Cb -0.06 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1sks h HIS 486 CO -0.03 -0.08 -0.24 0.74 -0.00 0.00 0.00 177.93 178.31 1sks h PHE 487 N -0.05 0.00 -0.00 5.26 0.04 -1.09 -2.77 116.94 118.32 1sks h PHE 487 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1sks h PHE 487 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1sks h PHE 487 CO -0.16 0.24 -0.28 0.00 -0.60 0.00 0.00 178.31 177.52 1sks n MET 488 N -3.67 0.49 0.17 1.51 0.00 -0.74 -4.08 117.12 110.80 1sks n MET 488 Ca -0.01 -0.25 0.13 0.00 0.00 0.00 0.00 57.70 57.57 1sks n MET 488 Cb 0.37 -1.49 0.68 0.00 0.00 0.00 0.00 33.22 32.77 1sks n MET 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sks h ALA 489 N 3.41 2.13 0.00 3.17 0.00 -1.13 0.10 119.26 126.93 1sks h ALA 489 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sks h ALA 489 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sks h ALA 489 CO 0.00 -0.24 0.00 2.89 0.00 0.00 0.00 179.25 181.90 1sks n ARG 490 N -4.40 0.20 -0.03 0.00 1.85 -1.26 0.06 116.66 113.09 1sks n ARG 490 Ca 0.02 0.06 -0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1sks n ARG 490 Cb 0.28 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.11 1sks n ARG 490 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1sks n PHE 491 N -1.38 0.00 -0.19 2.89 3.72 0.18 -4.70 117.46 117.98 1sks n PHE 491 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1sks n PHE 491 Cb 0.24 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 1sks n PHE 491 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1sks n ASP 492 N -2.15 1.35 -1.94 4.37 5.75 -0.19 -4.93 116.55 118.81 1sks n ASP 492 Ca -0.10 -1.54 -0.20 0.00 -0.01 0.00 0.00 54.79 52.94 1sks n ASP 492 Cb 0.59 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.63 1sks n ASP 492 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1sks n ASN 493 N -0.27 -5.59 0.00 -1.12 3.02 0.11 -2.72 115.26 108.69 1sks n ASN 493 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1sks n ASN 493 Cb 0.21 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 1sks n ASN 493 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sks n GLY 494 N -0.77 0.75 0.21 7.41 0.00 -1.23 -4.97 105.19 106.59 1sks n GLY 494 Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 1sks n GLY 494 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sks h GLU 495 N 3.07 0.68 -0.69 1.61 3.07 -1.87 0.31 114.58 120.75 1sks h GLU 495 Ca 0.00 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1sks h GLU 495 Cb 0.00 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.73 1sks h GLU 495 CO 0.00 0.46 0.37 -0.92 -1.40 0.00 0.00 179.01 177.52 1sks h TYR 496 N 0.69 0.95 -0.48 4.33 3.20 -1.91 -0.82 116.97 122.94 1sks h TYR 496 Ca 0.19 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1sks h TYR 496 Cb -0.07 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.88 1sks h TYR 496 CO -0.04 0.68 0.11 0.00 -1.64 0.00 0.00 178.16 177.27 1sks h ALA 497 N 1.18 0.64 -0.79 1.82 0.00 -1.69 -2.22 119.26 118.19 1sks h ALA 497 Ca 0.24 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1sks h ALA 497 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1sks h ALA 497 CO -0.04 0.33 0.52 1.25 0.00 0.00 0.00 179.25 181.32 1sks h HIS 498 N 0.66 0.95 -0.22 0.00 -0.00 0.08 -2.55 115.15 114.07 1sks h HIS 498 Ca 0.15 0.02 -0.18 0.00 -0.00 0.00 0.00 60.37 60.36 1sks h HIS 498 Cb 0.34 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.43 1sks h HIS 498 CO 0.02 0.56 -0.60 1.49 -0.00 0.00 0.00 177.93 179.40 1sks h GLU 499 N 0.99 0.72 -0.23 5.26 4.57 -0.85 -2.38 114.58 122.66 1sks h GLU 499 Ca 0.31 -0.48 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1sks h GLU 499 Cb 0.02 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1sks h GLU 499 CO -0.09 1.10 0.14 0.82 -1.18 0.00 0.00 179.01 179.80 1sks h ILE 500 N 0.54 1.04 -0.27 2.32 2.04 -0.99 0.22 117.51 122.40 1sks h ILE 500 Ca -0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1sks h ILE 500 Cb 1.18 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1sks h ILE 500 CO 0.12 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1sks n LEU 501 N -4.95 2.39 0.03 1.44 -0.00 -1.12 -4.59 117.00 110.20 1sks n LEU 501 Ca -0.03 -1.03 0.00 0.00 -0.00 0.00 0.00 56.01 54.95 1sks n LEU 501 Cb 0.04 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 1sks n LEU 501 CO 0.33 0.52 -0.14 0.59 -0.00 0.00 0.00 177.39 178.68 1sks n ASN 502 N 0.80 0.10 -0.46 1.45 3.02 -0.90 -5.10 115.26 114.17 1sks n ASN 502 Ca 0.17 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1sks n ASN 502 Cb 0.43 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1sks n ASN 502 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sks n GLY 503 N 2.16 1.41 2.77 7.41 0.00 0.76 -5.03 105.19 114.67 1sks n GLY 503 Ca 0.00 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 1sks n GLY 503 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sks s ASP 504 N -1.00 3.99 0.47 1.61 2.15 -1.23 -4.78 116.67 117.88 1sks s ASP 504 Ca 0.00 -2.12 0.12 0.00 0.43 0.00 0.00 52.55 50.98 1sks s ASP 504 Cb 0.00 -1.05 1.09 0.00 -0.30 0.00 0.00 42.92 42.66 1sks s ASP 504 CO 0.00 -0.35 2.11 -0.29 -0.17 0.00 0.00 175.17 176.47 1sks h ILE 505 N 6.00 1.04 -0.39 4.11 6.09 -1.86 -2.86 117.51 129.65 1sks h ILE 505 Ca -0.07 -0.08 -0.11 0.00 -1.37 0.00 0.00 64.86 63.22 1sks h ILE 505 Cb 0.98 0.77 -0.01 0.00 0.47 0.00 0.00 36.82 39.03 1sks h ILE 505 CO 0.49 0.05 -0.20 0.45 -3.07 0.00 0.00 178.15 175.87 1sks h HIS 506 N 0.25 0.94 -0.01 2.19 3.86 -1.95 -0.98 115.15 119.45 1sks h HIS 506 Ca 0.07 -0.24 -0.16 0.00 -1.16 0.00 0.00 60.37 58.88 1sks h HIS 506 Cb -0.02 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 1sks h HIS 506 CO -0.00 0.99 -0.75 1.79 0.86 0.00 0.00 177.93 180.83 1sks h THR 507 N 0.61 1.51 -0.66 2.45 1.35 -1.90 0.36 112.91 116.63 1sks h THR 507 Ca 0.08 -2.48 0.06 0.00 -0.55 0.00 0.00 66.41 63.53 1sks h THR 507 Cb 0.75 2.34 -0.06 0.00 -1.73 0.00 0.00 68.15 69.45 1sks h THR 507 CO 0.06 0.71 0.36 0.50 -0.25 0.00 0.00 175.52 176.90 1sks h LYS 508 N 0.04 0.65 0.00 4.72 3.64 -1.28 -0.23 116.57 124.11 1sks h LYS 508 Ca -0.01 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 1sks h LYS 508 Cb 1.32 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1sks h LYS 508 CO 0.10 0.43 -0.87 -0.91 -2.27 0.00 0.00 179.45 175.93 1sks h ASN 509 N 0.67 0.00 -0.71 4.20 2.35 -0.98 -2.50 115.58 118.61 1sks h ASN 509 Ca 0.30 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1sks h ASN 509 Cb 0.19 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1sks h ASN 509 CO -0.19 0.87 0.47 -0.61 -1.65 0.00 0.00 177.43 176.33 1sks h GLN 510 N 0.00 0.92 0.03 0.81 4.15 0.23 0.18 115.11 121.44 1sks h GLN 510 Ca -0.01 -0.06 -0.22 0.00 0.77 0.00 0.00 58.65 59.14 1sks h GLN 510 Cb 1.60 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 1sks h GLN 510 CO 0.11 0.61 -0.99 0.82 -1.93 0.00 0.00 178.83 177.46 1sks h ILE 511 N 0.95 1.52 -0.51 2.39 2.04 -1.07 -3.21 117.51 119.62 1sks h ILE 511 Ca 0.26 -2.82 -0.00 0.00 1.00 0.00 0.00 64.86 63.30 1sks h ILE 511 Cb -0.10 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1sks h ILE 511 CO -0.06 0.82 0.30 0.00 0.00 0.00 0.00 178.15 179.21 1sks h ALA 512 N 0.86 0.66 -1.32 1.87 0.00 -0.68 -3.42 119.26 117.22 1sks h ALA 512 Ca -0.06 -0.07 -0.45 0.00 0.00 0.00 0.00 54.91 54.32 1sks h ALA 512 Cb 1.66 -0.21 0.04 0.00 0.00 0.00 0.00 17.79 19.28 1sks h ALA 512 CO 0.15 0.15 -0.13 0.00 0.00 0.00 0.00 179.25 179.43 1sks s ALA 513 N -5.95 4.36 -0.97 0.00 0.00 0.50 -3.84 121.76 115.86 1sks s ALA 513 Ca -0.13 -1.74 -0.00 0.00 0.00 0.00 0.00 51.96 50.08 1sks s ALA 513 Cb 0.12 -1.72 0.32 0.00 0.00 0.00 0.00 23.12 21.85 1sks s ALA 513 CO 0.75 -0.68 1.70 0.39 0.00 0.00 0.00 175.76 177.92 1sks n GLU 514 N -2.17 5.13 -3.69 0.00 -0.58 -1.26 -4.74 120.64 113.33 1sks n GLU 514 Ca 0.11 -4.70 -0.37 0.00 -0.42 0.00 0.00 57.16 51.78 1sks n GLU 514 Cb 0.60 -2.44 -0.06 0.00 -0.57 0.00 0.00 31.44 28.97 1sks n GLU 514 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1sks s LEU 515 N -4.19 4.38 0.26 -4.62 1.43 -1.21 -5.01 118.68 109.72 1sks s LEU 515 Ca 0.40 0.62 0.13 0.00 -1.03 0.00 0.00 54.13 54.25 1sks s LEU 515 Cb 0.20 -2.29 0.23 0.00 0.03 0.00 0.00 46.19 44.36 1sks s LEU 515 CO -0.13 0.31 1.52 1.55 0.23 0.00 0.00 176.35 179.84 1sks h PRO 516 N 5.29 0.00 -5.86 1.29 0.13 -1.94 -3.46 132.00 127.45 1sks h PRO 516 Ca -0.51 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.07 1sks h PRO 516 Cb 1.21 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.07 1sks h PRO 516 CO 0.63 0.64 -0.83 0.95 -0.23 0.00 0.00 178.00 179.16 1sks s THR 517 N -3.24 1.51 0.19 1.56 -4.23 -1.26 -5.03 115.64 105.14 1sks s THR 517 Ca 0.01 -1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.41 1sks s THR 517 Cb 0.11 -1.29 0.11 0.00 1.34 0.00 0.00 72.50 72.76 1sks s THR 517 CO 0.76 0.27 1.81 -0.09 -0.54 0.00 0.00 174.62 176.82 1sks h ARG 518 N 5.23 0.62 -0.31 3.99 2.43 -1.93 -0.16 114.38 124.25 1sks h ARG 518 Ca -0.40 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 58.80 1sks h ARG 518 Cb 1.16 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1sks h ARG 518 CO 0.46 0.41 0.21 -0.44 -1.51 0.00 0.00 179.97 179.10 1sks h ASP 519 N 0.64 0.10 -0.27 -3.80 3.45 -1.95 0.47 116.42 115.05 1sks h ASP 519 Ca 0.26 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.71 1sks h ASP 519 Cb 0.12 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 1sks h ASP 519 CO -0.15 0.06 0.16 0.78 -1.57 0.00 0.00 179.24 178.53 1sks h ASN 520 N 0.11 0.35 -0.04 6.45 4.21 -1.42 -1.62 115.58 123.62 1sks h ASN 520 Ca 0.14 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.61 1sks h ASN 520 Cb 0.42 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.53 1sks h ASN 520 CO -0.02 0.28 -0.06 0.00 -1.29 0.00 0.00 177.43 176.35 1sks h ALA 521 N 1.78 0.06 -0.71 -0.83 0.00 0.06 0.16 119.26 119.77 1sks h ALA 521 Ca 0.11 -0.30 0.17 0.00 0.00 0.00 0.00 54.91 54.89 1sks h ALA 521 Cb 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1sks h ALA 521 CO -0.02 -0.13 0.49 0.87 0.00 0.00 0.00 179.25 180.46 1sks h LYS 522 N -0.40 0.22 0.21 0.00 1.57 -0.91 0.95 116.57 118.22 1sks h LYS 522 Ca 0.00 -0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 1sks h LYS 522 Cb 0.60 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.88 1sks h LYS 522 CO 0.01 0.15 -1.63 1.15 -0.57 0.00 0.00 179.45 178.56 1sks h THR 523 N 0.23 1.09 0.40 -0.16 2.02 -1.18 -3.19 112.91 112.12 1sks h THR 523 Ca 0.35 -2.62 -0.02 0.00 0.77 0.00 0.00 66.41 64.89 1sks h THR 523 Cb 1.04 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 1sks h THR 523 CO -0.07 0.84 -0.19 0.15 0.37 0.00 0.00 175.52 176.62 1sks h PHE 524 N 0.12 -0.49 -0.09 3.16 3.57 0.71 -2.25 116.94 121.66 1sks h PHE 524 Ca -0.30 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.20 1sks h PHE 524 Cb 2.12 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 41.01 1sks h PHE 524 CO 0.11 -0.28 -0.01 0.97 -2.23 0.00 0.00 178.31 176.87 1sks h ILE 525 N -0.57 0.92 -0.93 1.41 6.09 -1.04 -0.03 117.51 123.36 1sks h ILE 525 Ca -0.05 -0.01 0.16 0.00 -1.37 0.00 0.00 64.86 63.59 1sks h ILE 525 Cb 0.43 0.90 -0.08 0.00 0.47 0.00 0.00 36.82 38.55 1sks h ILE 525 CO 0.09 0.00 0.59 1.88 -3.07 0.00 0.00 178.15 177.65 1sks h TYR 526 N 0.02 0.87 -0.02 2.19 -1.99 -1.54 0.36 116.97 116.85 1sks h TYR 526 Ca 0.04 0.03 -0.17 0.00 2.00 0.00 0.00 58.73 60.63 1sks h TYR 526 Cb 0.06 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.50 1sks h TYR 526 CO -0.13 0.29 -0.74 0.78 -0.00 0.00 0.00 178.16 178.35 1sks h GLY 527 N 0.71 0.19 1.16 3.88 0.00 -0.75 -3.18 103.07 105.08 1sks h GLY 527 Ca 0.48 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 1sks h GLY 527 CO -0.24 0.26 -0.13 -2.75 0.00 0.00 0.00 176.54 173.68 1sks h PHE 528 N 0.11 1.10 -0.63 5.60 3.57 0.15 0.62 116.94 127.46 1sks h PHE 528 Ca -0.02 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 61.20 1sks h PHE 528 Cb 1.31 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1sks h PHE 528 CO 0.02 1.04 0.20 -0.07 -2.23 0.00 0.00 178.31 177.27 1sks h LEU 529 N 0.87 0.89 -2.02 0.59 3.38 -0.72 -2.56 115.31 115.75 1sks h LEU 529 Ca 0.13 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sks h LEU 529 Cb 0.69 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1sks h LEU 529 CO 0.05 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.42 1sks n TYR 530 N -4.28 0.44 -2.48 1.13 4.11 -1.21 -4.74 117.16 110.14 1sks n TYR 530 Ca 0.05 -0.22 -0.05 0.00 -0.00 0.00 0.00 57.90 57.67 1sks n TYR 530 Cb 0.21 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.58 1sks n TYR 530 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1sks n GLY 531 N 1.41 0.23 3.71 -7.48 0.00 -0.92 -5.02 105.19 97.12 1sks n GLY 531 Ca 0.19 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1sks n GLY 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sks s ALA 532 N -3.11 1.95 0.54 4.61 0.00 0.21 -4.98 121.76 120.98 1sks s ALA 532 Ca 0.02 0.78 -0.18 0.00 0.00 0.00 0.00 51.96 52.58 1sks s ALA 532 Cb -0.01 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 1sks s ALA 532 CO 0.22 -2.12 1.05 0.20 0.00 0.00 0.00 175.76 175.11 1sks s GLY 533 N -2.26 2.33 0.39 0.00 0.00 -1.26 -4.91 107.32 101.61 1sks s GLY 533 Ca 0.72 0.51 0.18 0.00 0.00 0.00 0.00 44.72 46.14 1sks s GLY 533 CO 0.49 0.83 1.75 -0.55 0.00 0.00 0.00 173.10 175.63 1sks h ASP 534 N 1.00 0.46 0.49 1.64 3.32 -1.93 -2.44 116.42 118.94 1sks h ASP 534 Ca -0.48 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 1sks h ASP 534 Cb 1.22 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1sks h ASP 534 CO 0.58 0.06 -0.29 1.05 -1.72 0.00 0.00 179.24 178.92 1sks h GLU 535 N 0.39 -0.70 -1.00 3.56 9.09 -1.92 -1.46 114.58 122.55 1sks h GLU 535 Ca 0.62 0.05 0.28 0.00 0.05 0.00 0.00 59.36 60.36 1sks h GLU 535 Cb 1.57 0.16 -0.05 0.00 -1.65 0.00 0.00 28.75 28.78 1sks h GLU 535 CO -0.33 -0.46 0.71 1.57 0.05 0.00 0.00 179.01 180.54 1sks h LYS 536 N -0.72 0.06 -0.34 1.06 5.09 -1.83 0.72 116.57 120.61 1sks h LYS 536 Ca -0.07 -0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.53 1sks h LYS 536 Cb 0.57 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.88 1sks h LYS 536 CO 0.07 0.04 -0.35 0.82 -2.09 0.00 0.00 179.45 177.94 1sks h ILE 537 N 0.06 1.28 -0.20 0.07 2.04 -1.14 -2.93 117.51 116.69 1sks h ILE 537 Ca 0.49 -1.52 -0.14 0.00 1.00 0.00 0.00 64.86 64.69 1sks h ILE 537 Cb 1.83 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 1sks h ILE 537 CO -0.04 0.50 -0.46 1.23 0.00 0.00 0.00 178.15 179.38 1sks h GLY 538 N 0.92 0.56 1.18 5.37 0.00 0.15 -3.12 103.07 108.14 1sks h GLY 538 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1sks h GLY 538 CO 0.08 0.53 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1sks n GLN 539 N -4.00 0.19 -0.05 4.80 -0.00 -0.29 -1.62 117.38 116.42 1sks n GLN 539 Ca -0.02 0.07 -0.07 0.00 -0.00 0.00 0.00 57.00 56.98 1sks n GLN 539 Cb 0.54 -1.50 -0.14 0.00 -0.00 0.00 0.00 30.24 29.14 1sks n GLN 539 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1sks n ILE 540 N -1.09 1.34 1.25 -0.39 5.41 -1.18 -3.93 119.36 120.78 1sks n ILE 540 Ca 0.05 -0.79 0.13 0.00 1.00 0.00 0.00 62.75 63.13 1sks n ILE 540 Cb 0.04 -0.65 0.35 0.00 -0.71 0.00 0.00 39.64 38.67 1sks n ILE 540 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1sks n VAL 541 N -2.83 0.00 0.00 1.39 0.24 -0.64 -4.93 118.33 111.57 1sks n VAL 541 Ca -0.23 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1sks n VAL 541 Cb 1.05 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 1sks n VAL 541 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sks n GLY 542 N 1.32 3.10 0.00 7.63 0.00 -0.94 -5.02 105.19 111.28 1sks n GLY 542 Ca 0.13 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1sks n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sks n ALA 543 N 0.00 0.00 0.00 4.61 0.00 -0.91 -4.71 120.51 119.50 1sks n ALA 543 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sks n ALA 543 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sks n ALA 543 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sks n GLY 544 N 0.46 1.03 4.88 0.00 0.00 -1.25 -3.23 105.19 107.08 1sks n GLY 544 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1sks n GLY 544 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sks n LYS 545 N 0.00 0.00 -0.09 1.61 4.76 -1.24 -4.42 118.16 118.78 1sks n LYS 545 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1sks n LYS 545 Cb 0.00 -3.47 -0.03 0.00 -1.84 0.00 0.00 35.03 29.69 1sks n LYS 545 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1sks n GLU 546 N -1.30 0.52 0.30 1.97 4.07 -1.26 -4.09 120.64 120.84 1sks n GLU 546 Ca 0.00 0.21 0.19 0.00 -0.06 0.00 0.00 57.16 57.50 1sks n GLU 546 Cb 0.00 -1.41 0.89 0.00 -0.06 0.00 0.00 31.44 30.85 1sks n GLU 546 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sks h ARG 547 N -0.98 0.00 0.00 5.31 2.47 -1.91 -2.88 114.38 116.39 1sks h ARG 547 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1sks h ARG 547 Cb 0.99 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 1sks h ARG 547 CO -0.00 0.01 0.00 0.41 0.56 0.00 0.00 179.97 180.95 1sks n GLY 548 N -0.41 -2.72 0.38 0.04 0.00 -1.26 -0.50 105.19 100.73 1sks n GLY 548 Ca -0.01 0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.29 1sks n GLY 548 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1sks h LYS 549 N 0.00 0.55 0.38 1.61 2.10 -1.70 -1.96 116.57 117.55 1sks h LYS 549 Ca 0.00 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1sks h LYS 549 Cb 0.00 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.20 1sks h LYS 549 CO 0.00 0.36 -0.24 0.93 -2.00 0.00 0.00 179.45 178.50 1sks h GLU 550 N 0.57 -0.58 -0.03 0.07 4.39 -1.31 -2.64 114.58 115.04 1sks h GLU 550 Ca 0.50 0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.27 1sks h GLU 550 Cb 1.00 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.74 1sks h GLU 550 CO -0.24 -0.39 -0.23 -0.07 -1.16 0.00 0.00 179.01 176.92 1sks h LEU 551 N -0.61 -0.68 -1.84 1.33 3.38 -0.02 -0.85 115.31 116.02 1sks h LEU 551 Ca -0.04 0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.26 1sks h LEU 551 Cb 0.50 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1sks h LEU 551 CO 0.03 -0.29 0.59 0.11 0.09 0.00 0.00 178.44 178.97 1sks h LYS 552 N -0.34 0.13 0.17 1.13 1.57 -1.43 0.38 116.57 118.17 1sks h LYS 552 Ca 0.07 -0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.54 1sks h LYS 552 Cb 0.44 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.75 1sks h LYS 552 CO -0.23 0.09 -1.32 0.87 -0.57 0.00 0.00 179.45 178.28 1sks h LYS 553 N 0.13 0.47 -0.33 3.15 1.57 -0.88 -3.01 116.57 117.66 1sks h LYS 553 Ca 0.42 -0.74 -0.16 0.00 -1.87 0.00 0.00 60.65 58.30 1sks h LYS 553 Cb 1.44 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 34.01 1sks h LYS 553 CO -0.06 1.34 -0.41 -0.22 -0.57 0.00 0.00 179.45 179.52 1sks h LYS 554 N 0.16 0.83 -0.18 3.15 1.63 0.32 -2.54 116.57 119.94 1sks h LYS 554 Ca -0.19 -0.45 -0.00 0.00 -0.85 0.00 0.00 60.65 59.16 1sks h LYS 554 Cb 2.02 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.66 1sks h LYS 554 CO 0.24 1.08 0.09 0.35 -3.45 0.00 0.00 179.45 177.77 1sks h PHE 555 N 0.67 0.25 -0.62 1.91 3.57 -0.44 -2.83 116.94 119.45 1sks h PHE 555 Ca 0.05 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1sks h PHE 555 Cb 0.99 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 1sks h PHE 555 CO 0.06 0.26 0.05 -0.07 -2.23 0.00 0.00 178.31 176.37 1sks h LEU 556 N 0.18 1.03 -2.21 0.59 3.38 -1.55 -2.49 115.31 114.24 1sks h LEU 556 Ca 0.06 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1sks h LEU 556 Cb 0.09 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1sks h LEU 556 CO -0.01 1.05 -0.00 -0.33 0.09 0.00 0.00 178.44 179.24 1sks h GLU 557 N 0.98 0.00 -0.49 1.13 4.39 -1.34 -1.15 114.58 118.10 1sks h GLU 557 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1sks h GLU 557 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1sks h GLU 557 CO 0.02 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.96 1sks n ASN 558 N -4.23 3.92 -3.15 1.42 3.02 -1.03 -4.49 115.26 110.72 1sks n ASN 558 Ca -0.03 -2.36 -0.19 0.00 -0.03 0.00 0.00 54.58 51.96 1sks n ASN 558 Cb 0.09 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 1sks n ASN 558 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1sks n THR 559 N 0.67 -0.34 -0.33 3.41 -1.04 -0.44 -4.87 114.28 111.34 1sks n THR 559 Ca 0.20 -4.11 0.21 0.00 -2.04 0.00 0.00 64.05 58.31 1sks n THR 559 Cb 0.71 -0.68 0.46 0.00 -1.82 0.00 0.00 70.33 69.00 1sks n THR 559 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1sks h PRO 560 N 3.37 0.46 -0.83 -2.82 0.13 -1.77 -1.75 132.00 128.79 1sks h PRO 560 Ca 0.07 -0.03 0.10 0.00 -0.87 0.00 0.00 66.00 65.28 1sks h PRO 560 Cb 0.95 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 31.92 1sks h PRO 560 CO 0.46 0.30 0.54 0.00 -0.23 0.00 0.00 178.00 179.07 1sks h ALA 561 N 1.66 1.75 -0.14 -0.56 0.00 -1.92 0.43 119.26 120.48 1sks h ALA 561 Ca 0.61 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.35 1sks h ALA 561 Cb 1.39 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1sks h ALA 561 CO -0.36 0.07 -0.64 0.82 0.00 0.00 0.00 179.25 179.14 1sks h ILE 562 N 0.75 1.34 -0.18 0.00 2.04 -1.66 -1.57 117.51 118.22 1sks h ILE 562 Ca 0.39 -1.93 -0.13 0.00 1.00 0.00 0.00 64.86 64.18 1sks h ILE 562 Cb 0.49 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1sks h ILE 562 CO -0.16 0.60 -0.44 0.00 0.00 0.00 0.00 178.15 178.15 1sks h ALA 563 N 0.91 0.90 -0.24 1.87 0.00 -1.27 0.23 119.26 121.66 1sks h ALA 563 Ca -0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1sks h ALA 563 Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1sks h ALA 563 CO 0.12 0.64 -0.13 0.00 0.00 0.00 0.00 179.25 179.89 1sks h ALA 564 N 1.16 0.33 -0.32 0.00 0.00 -0.88 -1.46 119.26 118.10 1sks h ALA 564 Ca 0.03 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1sks h ALA 564 Cb 0.92 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1sks h ALA 564 CO 0.08 0.20 0.10 1.25 0.00 0.00 0.00 179.25 180.88 1sks h LEU 565 N 0.22 0.11 -1.24 0.00 5.85 -1.01 -0.88 115.31 118.36 1sks h LEU 565 Ca 0.05 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1sks h LEU 565 Cb 0.63 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1sks h LEU 565 CO 0.04 0.10 0.13 -0.09 -0.34 0.00 0.00 178.44 178.27 1sks h ARG 566 N 0.24 0.65 -0.21 1.25 2.43 -0.87 -2.23 114.38 115.63 1sks h ARG 566 Ca 0.14 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 1sks h ARG 566 Cb 0.12 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1sks h ARG 566 CO -0.15 0.58 -0.49 0.93 -1.51 0.00 0.00 179.97 179.33 1sks h GLU 567 N 0.64 0.57 -0.01 0.20 5.08 -0.53 -2.54 114.58 117.99 1sks h GLU 567 Ca 0.15 -0.33 -0.18 0.00 -1.00 0.00 0.00 59.36 58.00 1sks h GLU 567 Cb 0.21 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1sks h GLU 567 CO -0.01 0.93 -0.81 0.66 -1.00 0.00 0.00 179.01 178.79 1sks h SER 568 N 0.45 0.22 -0.52 1.42 4.64 -0.88 -2.22 113.55 116.66 1sks h SER 568 Ca 0.02 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 1sks h SER 568 Cb 1.02 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 1sks h SER 568 CO 0.09 0.93 0.05 0.40 -0.87 0.00 0.00 176.83 177.44 1sks h ILE 569 N 0.10 1.26 -0.20 0.95 2.04 -1.40 -2.33 117.51 117.92 1sks h ILE 569 Ca -0.03 -1.00 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 1sks h ILE 569 Cb 1.40 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1sks h ILE 569 CO 0.12 0.36 -0.12 -0.61 0.00 0.00 0.00 178.15 177.90 1sks h GLN 570 N 0.75 0.33 -0.13 2.37 -0.00 -1.39 -1.84 115.11 115.20 1sks h GLN 570 Ca 0.15 -0.08 -0.10 0.00 -0.00 0.00 0.00 58.65 58.63 1sks h GLN 570 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.87 1sks h GLN 570 CO 0.02 0.46 -0.35 1.96 0.00 0.00 0.00 178.83 180.91 1sks h GLN 571 N 0.31 0.26 -0.36 1.69 1.08 -1.09 0.30 115.11 117.30 1sks h GLN 571 Ca 0.06 -0.11 -0.11 0.00 -1.45 0.00 0.00 58.65 57.05 1sks h GLN 571 Cb 0.41 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1sks h GLN 571 CO 0.02 0.58 -0.22 1.15 -0.95 0.00 0.00 178.83 179.42 1sks h THR 572 N 0.22 1.27 0.06 -0.54 2.02 -0.81 -3.36 112.91 111.78 1sks h THR 572 Ca 0.03 -1.30 -0.37 0.00 0.77 0.00 0.00 66.41 65.54 1sks h THR 572 Cb 0.74 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1sks h THR 572 CO 0.06 0.43 -2.13 0.18 0.37 0.00 0.00 175.52 174.43 1sks n LEU 573 N -4.12 2.62 -4.64 2.58 4.77 -0.99 -4.34 117.00 112.88 1sks n LEU 573 Ca 0.00 0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.77 1sks n LEU 573 Cb 0.42 -1.01 -0.10 0.00 -2.33 0.00 0.00 43.42 40.40 1sks n LEU 573 CO 0.44 0.80 -0.34 -0.69 -1.33 0.00 0.00 177.39 176.26 1sks s VAL 574 N -2.52 4.02 -0.10 4.08 1.01 0.10 0.11 120.40 127.10 1sks s VAL 574 Ca -0.29 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1sks s VAL 574 Cb 0.08 -2.68 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 1sks s VAL 574 CO 0.67 0.58 -0.04 -1.84 0.00 0.00 0.00 175.10 174.47 1sks n GLU 575 N 2.10 1.37 -1.76 2.72 -0.00 -1.26 -4.47 120.64 119.34 1sks n GLU 575 Ca -0.18 0.03 0.00 0.00 -0.00 0.00 0.00 57.16 57.01 1sks n GLU 575 Cb 0.53 -1.22 0.00 0.00 -0.00 0.00 0.00 31.44 30.75 1sks n GLU 575 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1sks n LYS 587 N -2.58 -3.01 -3.96 3.44 4.01 -1.26 -5.01 118.16 109.78 1sks n LYS 587 Ca -0.17 2.39 -0.32 0.00 -0.51 0.00 0.00 58.31 59.71 1sks n LYS 587 Cb 0.74 -2.92 -0.05 0.00 -0.51 0.00 0.00 35.03 32.29 1sks n LYS 587 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1sks s TRP 588 N -0.34 3.44 -0.13 2.13 0.52 -1.26 -4.99 118.94 118.31 1sks s TRP 588 Ca 0.00 0.24 0.16 0.00 0.02 0.00 0.00 56.10 56.52 1sks s TRP 588 Cb 0.00 -1.75 -0.24 0.00 -1.15 0.00 0.00 33.47 30.33 1sks s TRP 588 CO 0.00 0.59 0.36 1.17 0.02 0.00 0.00 176.95 179.09 1sks n LYS 589 N 0.62 0.66 -3.64 4.98 4.81 0.30 -4.94 118.16 120.95 1sks n LYS 589 Ca -0.08 0.12 -0.05 0.00 -0.87 0.00 0.00 58.31 57.43 1sks n LYS 589 Cb 0.52 -1.65 -0.07 0.00 0.02 0.00 0.00 35.03 33.85 1sks n LYS 589 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1sks s ARG 590 N -2.60 0.36 -0.33 1.64 3.52 -1.18 -5.04 118.95 115.32 1sks s ARG 590 Ca -0.07 0.51 0.07 0.00 -0.13 0.00 0.00 55.73 56.11 1sks s ARG 590 Cb 0.07 0.13 0.67 0.00 -1.56 0.00 0.00 34.95 34.26 1sks s ARG 590 CO 0.83 -0.06 1.75 -2.13 -0.81 0.00 0.00 175.30 174.89 1sks n ARG 591 N 2.75 3.15 -3.89 5.12 0.63 -1.26 -4.54 116.66 118.63 1sks n ARG 591 Ca -0.15 -2.79 -0.09 0.00 -0.92 0.00 0.00 57.85 53.90 1sks n ARG 591 Cb 0.57 -2.13 -0.08 0.00 0.45 0.00 0.00 32.46 31.27 1sks n ARG 591 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 1sks s TRP 592 N -2.83 0.16 0.07 -0.14 1.48 -1.26 -1.78 118.94 114.64 1sks s TRP 592 Ca 0.51 -0.53 0.05 0.00 -1.06 0.00 0.00 56.10 55.07 1sks s TRP 592 Cb 0.41 -0.09 -0.04 0.00 -1.16 0.00 0.00 33.47 32.59 1sks s TRP 592 CO 0.12 -0.47 -0.04 0.42 -4.06 0.00 0.00 176.95 172.92 1sks s ILE 593 N -3.31 3.78 -0.18 0.66 -1.09 -0.26 -4.85 121.20 115.95 1sks s ILE 593 Ca 0.01 -1.00 -0.25 0.00 -2.23 0.00 0.00 60.65 57.18 1sks s ILE 593 Cb 0.03 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 1sks s ILE 593 CO -0.08 0.18 0.81 -0.75 -1.23 0.00 0.00 174.94 173.87 1sks s LYS 594 N -2.07 4.27 0.89 2.79 2.20 -1.26 0.71 119.74 127.27 1sks s LYS 594 Ca 0.23 0.96 -0.13 0.00 -0.36 0.00 0.00 55.97 56.67 1sks s LYS 594 Cb -0.11 -3.59 0.13 0.00 -1.51 0.00 0.00 37.83 32.75 1sks s LYS 594 CO 0.15 -0.35 1.16 0.20 -0.36 0.00 0.00 175.35 176.15 1sks s GLY 595 N 1.19 1.59 0.54 5.54 0.00 0.59 -4.87 107.32 111.90 1sks s GLY 595 Ca 0.37 -0.61 0.25 0.00 0.00 0.00 0.00 44.72 44.72 1sks s GLY 595 CO 0.11 -0.06 2.03 1.41 0.00 0.00 0.00 173.10 176.60 1sks h LEU 596 N -1.40 0.00 -2.08 0.66 3.38 -1.90 0.37 115.31 114.34 1sks h LEU 596 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1sks h LEU 596 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1sks h LEU 596 CO 0.61 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.24 1sks n ASP 597 N -4.27 3.07 0.00 -0.43 5.75 -1.26 -4.95 116.55 114.46 1sks n ASP 597 Ca 0.06 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1sks n ASP 597 Cb 0.48 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1sks n ASP 597 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sks n GLY 598 N 1.43 1.51 3.75 6.12 0.00 0.12 -3.14 105.19 114.96 1sks n GLY 598 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1sks n GLY 598 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sks s ARG 599 N -0.59 2.18 -0.07 1.61 1.70 -1.26 -4.56 118.95 117.96 1sks s ARG 599 Ca 0.00 1.37 -0.23 0.00 -0.47 0.00 0.00 55.73 56.40 1sks s ARG 599 Cb 0.00 -1.87 -0.04 0.00 -0.57 0.00 0.00 34.95 32.47 1sks s ARG 599 CO 0.00 -1.73 0.69 0.15 -1.08 0.00 0.00 175.30 173.33 1sks s LYS 600 N -4.51 4.43 -0.33 3.89 1.02 -1.26 -0.30 119.74 122.68 1sks s LYS 600 Ca 0.65 0.85 -0.03 0.00 0.02 0.00 0.00 55.97 57.46 1sks s LYS 600 Cb -0.21 -3.45 0.06 0.00 -0.52 0.00 0.00 37.83 33.71 1sks s LYS 600 CO 0.51 0.06 0.07 0.08 -0.92 0.00 0.00 175.35 175.16 1sks s VAL 601 N 0.81 3.29 0.26 3.17 1.01 0.22 -4.92 120.40 124.24 1sks s VAL 601 Ca 0.37 -1.44 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 1sks s VAL 601 Cb -0.18 -2.96 -0.13 0.00 0.00 0.00 0.00 36.38 33.12 1sks s VAL 601 CO 0.18 -0.25 1.41 1.57 0.00 0.00 0.00 175.10 178.01 1sks n HIS 602 N 4.68 2.24 -4.01 5.22 -0.00 -1.26 -1.11 115.22 120.98 1sks n HIS 602 Ca -0.11 0.43 -0.34 0.00 0.46 0.00 0.00 57.72 58.16 1sks n HIS 602 Cb 0.43 -2.47 -0.15 0.00 -0.12 0.00 0.00 29.99 27.69 1sks n HIS 602 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1sks s VAL 603 N -0.19 2.67 0.09 3.57 1.01 -0.74 -4.88 120.40 121.93 1sks s VAL 603 Ca 0.66 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 1sks s VAL 603 Cb -0.62 -2.29 -0.12 0.00 0.00 0.00 0.00 36.38 33.35 1sks s VAL 603 CO 0.51 0.31 1.35 0.03 0.00 0.00 0.00 175.10 177.30 1sks h ARG 604 N 7.99 0.68 -3.86 2.72 3.08 -1.94 -3.46 114.38 119.59 1sks h ARG 604 Ca -0.37 -0.44 -0.26 0.00 0.07 0.00 0.00 59.98 58.98 1sks h ARG 604 Cb 1.12 0.06 -0.29 0.00 0.08 0.00 0.00 29.97 30.94 1sks h ARG 604 CO 0.59 1.06 -0.73 0.45 -1.07 0.00 0.00 179.97 180.27 1sks s SER 605 N -6.70 0.18 0.30 7.04 0.15 -1.26 -5.04 113.70 108.37 1sks s SER 605 Ca -0.12 -0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.56 1sks s SER 605 Cb 0.08 -0.03 0.74 0.00 -1.71 0.00 0.00 66.02 65.10 1sks s SER 605 CO 0.84 0.00 1.76 -0.65 1.20 0.00 0.00 173.24 176.39 1sks h PRO 606 N 6.25 0.65 0.00 5.44 0.11 -2.01 0.38 132.00 142.83 1sks h PRO 606 Ca -0.27 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1sks h PRO 606 Cb 1.20 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1sks h PRO 606 CO 0.50 0.43 -0.05 1.25 -0.21 0.00 0.00 178.00 179.92 1sks h HIS 607 N 0.67 0.00 -0.02 0.65 -0.00 -2.01 -2.24 115.15 112.20 1sks h HIS 607 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.95 1sks h HIS 607 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1sks h HIS 607 CO -0.03 0.05 -0.01 0.00 -0.00 0.00 0.00 177.93 177.95 1sks n ALA 608 N -2.16 2.53 0.01 5.26 0.00 0.13 -4.54 120.51 121.75 1sks n ALA 608 Ca -0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 1sks n ALA 608 Cb 0.23 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1sks n ALA 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sks h ALA 609 N 4.52 -0.13 -0.24 0.00 0.00 -1.06 -0.85 119.26 121.49 1sks h ALA 609 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1sks h ALA 609 Cb 0.76 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1sks h ALA 609 CO 0.00 -0.64 0.11 1.25 0.00 0.00 0.00 179.25 179.97 1sks h LEU 610 N -0.24 0.15 -0.63 0.00 6.46 -1.80 0.18 115.31 119.43 1sks h LEU 610 Ca 0.09 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1sks h LEU 610 Cb 0.36 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 1sks h LEU 610 CO -0.24 0.12 0.40 -1.13 -0.62 0.00 0.00 178.44 176.97 1sks h ASN 611 N 0.24 0.68 -0.46 1.25 -0.73 -1.81 -0.21 115.58 114.54 1sks h ASN 611 Ca 0.10 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 1sks h ASN 611 Cb 0.04 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 1sks h ASN 611 CO -0.08 0.48 0.26 0.74 -0.37 0.00 0.00 177.43 178.46 1sks h THR 612 N 0.81 1.16 -0.06 -3.57 2.02 -0.72 -0.11 112.91 112.45 1sks h THR 612 Ca 0.24 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1sks h THR 612 Cb -0.04 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1sks h THR 612 CO -0.07 0.17 -0.04 0.25 0.37 0.00 0.00 175.52 176.19 1sks h LEU 613 N 0.60 -0.13 -0.12 2.58 5.85 -0.39 0.47 115.31 124.18 1sks h LEU 613 Ca 0.16 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1sks h LEU 613 Cb 0.04 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1sks h LEU 613 CO -0.03 -0.06 0.03 -0.07 -0.34 0.00 0.00 178.44 177.98 1sks h LEU 614 N -0.04 0.17 -1.27 2.25 3.38 -0.87 -1.64 115.31 117.29 1sks h LEU 614 Ca 0.04 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1sks h LEU 614 Cb 0.10 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1sks h LEU 614 CO -0.09 0.35 0.47 -0.61 0.09 0.00 0.00 178.44 178.65 1sks h GLN 615 N -0.01 0.96 -0.43 1.13 4.15 -0.95 -2.17 115.11 117.78 1sks h GLN 615 Ca 0.04 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.27 1sks h GLN 615 Cb 0.24 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1sks h GLN 615 CO -0.00 0.64 -0.23 1.03 -1.93 0.00 0.00 178.83 178.34 1sks h SER 616 N 0.98 0.95 -0.04 -0.69 0.87 -0.71 -2.49 113.55 112.41 1sks h SER 616 Ca 0.26 -0.41 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1sks h SER 616 Cb -0.10 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.60 1sks h SER 616 CO -0.06 1.16 0.02 0.00 -0.53 0.00 0.00 176.83 177.42 1sks h ALA 617 N 0.83 0.06 -0.64 6.23 0.00 -0.76 -1.64 119.26 123.34 1sks h ALA 617 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1sks h ALA 617 Cb 0.81 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1sks h ALA 617 CO 0.07 -0.39 0.39 0.78 0.00 0.00 0.00 179.25 180.10 1sks h GLY 618 N -0.03 0.91 0.95 0.00 0.00 -1.42 0.03 103.07 103.49 1sks h GLY 618 Ca 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1sks h GLY 618 CO -0.00 0.25 0.28 0.00 0.00 0.00 0.00 176.54 177.06 1sks h ALA 619 N 1.28 0.56 -0.22 3.60 0.00 -1.30 0.14 119.26 123.32 1sks h ALA 619 Ca 0.26 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1sks h ALA 619 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1sks h ALA 619 CO -0.11 -0.02 -0.50 -0.07 0.00 0.00 0.00 179.25 178.55 1sks h LEU 620 N 0.56 0.68 -0.33 0.00 3.38 -0.98 -1.29 115.31 117.34 1sks h LEU 620 Ca 0.17 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1sks h LEU 620 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1sks h LEU 620 CO -0.06 1.07 0.04 0.40 0.09 0.00 0.00 178.44 179.98 1sks h ILE 621 N 0.49 1.24 -0.49 1.22 2.04 -0.74 -1.64 117.51 119.64 1sks h ILE 621 Ca 0.02 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1sks h ILE 621 Cb 1.05 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1sks h ILE 621 CO 0.10 0.28 0.20 0.00 0.00 0.00 0.00 178.15 178.73 1sks h LYS 623 N 0.69 0.43 -0.25 0.00 3.64 -0.96 -2.27 116.57 117.85 1sks h LYS 623 Ca 0.17 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 1sks h LYS 623 Cb 0.12 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1sks h LYS 623 CO -0.02 0.66 -0.31 1.25 -2.27 0.00 0.00 179.45 178.76 1sks h LEU 624 N 0.16 0.53 0.05 5.20 6.46 -1.10 -2.73 115.31 123.89 1sks h LEU 624 Ca 0.06 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1sks h LEU 624 Cb 0.50 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1sks h LEU 624 CO 0.02 0.81 -0.03 -0.25 -0.62 0.00 0.00 178.44 178.38 1sks h TRP 625 N 0.45 -0.07 -0.11 1.25 7.01 -1.07 0.54 115.95 123.95 1sks h TRP 625 Ca 0.06 -0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.96 1sks h TRP 625 Cb 0.76 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.83 1sks h TRP 625 CO 0.03 0.08 -0.36 -0.84 -2.79 0.00 0.00 178.44 174.55 1sks h ILE 626 N -0.20 1.29 -0.04 2.65 3.07 -1.41 0.09 117.51 122.96 1sks h ILE 626 Ca -0.01 -1.40 -0.00 0.00 1.55 0.00 0.00 64.86 65.00 1sks h ILE 626 Cb 0.18 1.61 -0.00 0.00 -0.27 0.00 0.00 36.82 38.34 1sks h ILE 626 CO 0.01 0.42 0.00 0.40 -1.05 0.00 0.00 178.15 177.94 1sks h ILE 627 N 0.20 1.22 -0.19 0.16 2.04 -1.34 -2.65 117.51 116.94 1sks h ILE 627 Ca 0.02 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 1sks h ILE 627 Cb 0.74 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1sks h ILE 627 CO 0.06 0.18 -0.28 0.50 0.00 0.00 0.00 178.15 178.61 1sks h LYS 628 N -0.20 0.36 -0.03 2.37 1.63 -0.66 -1.91 116.57 118.13 1sks h LYS 628 Ca 0.01 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1sks h LYS 628 Cb 0.28 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1sks h LYS 628 CO 0.00 0.61 0.02 1.15 -3.45 0.00 0.00 179.45 177.78 1sks h THR 629 N 0.32 1.10 -0.79 1.00 2.02 -0.91 -0.93 112.91 114.72 1sks h THR 629 Ca 0.05 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1sks h THR 629 Cb 0.66 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1sks h THR 629 CO 0.05 0.08 0.35 -0.08 0.37 0.00 0.00 175.52 176.28 1sks h GLU 630 N -0.06 1.15 -0.43 6.66 4.81 -1.31 -1.30 114.58 124.10 1sks h GLU 630 Ca 0.01 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 1sks h GLU 630 Cb 0.11 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1sks h GLU 630 CO -0.00 0.92 0.15 1.49 -0.73 0.00 0.00 179.01 180.83 1sks h GLU 631 N 1.13 0.62 -0.01 1.92 4.81 -1.15 -1.48 114.58 120.42 1sks h GLU 631 Ca 0.27 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 59.23 1sks h GLU 631 Cb 0.17 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1sks h GLU 631 CO -0.03 0.54 -0.78 0.52 -0.73 0.00 0.00 179.01 178.53 1sks h MET 632 N 0.62 0.09 -0.25 1.92 2.86 -0.61 -2.23 114.93 117.32 1sks h MET 632 Ca 0.15 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 1sks h MET 632 Cb 0.17 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1sks h MET 632 CO -0.01 0.82 -0.33 -0.07 1.06 0.00 0.00 176.91 178.37 1sks h LEU 633 N 0.05 0.72 -1.53 1.22 3.38 -0.85 -2.35 115.31 115.95 1sks h LEU 633 Ca -0.02 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 1sks h LEU 633 Cb 1.37 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1sks h LEU 633 CO 0.11 1.09 -0.19 0.58 0.09 0.00 0.00 178.44 180.11 1sks h VAL 634 N 0.38 0.63 0.00 1.22 2.07 -1.28 -1.57 116.25 117.71 1sks h VAL 634 Ca 0.03 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1sks h VAL 634 Cb 0.92 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1sks h VAL 634 CO 0.08 0.19 -0.11 1.05 0.02 0.00 0.00 177.57 178.80 1sks h GLU 635 N 0.00 0.00 -0.01 1.57 4.11 -1.17 -2.96 114.58 116.13 1sks h GLU 635 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1sks h GLU 635 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1sks h GLU 635 CO 0.02 0.00 -0.26 1.63 0.07 0.00 0.00 179.01 180.47 1sks n LYS 636 N -2.44 0.61 0.00 1.06 5.02 -0.64 -4.93 118.16 116.84 1sks n LYS 636 Ca 0.05 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1sks n LYS 636 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1sks n LYS 636 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sks n GLY 637 N 1.36 0.53 3.75 0.72 0.00 -1.10 -5.08 105.19 105.37 1sks n GLY 637 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1sks n GLY 637 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sks s LEU 638 N 0.00 4.60 -0.16 0.99 1.02 -0.89 -5.00 118.68 119.24 1sks s LEU 638 Ca 0.00 2.04 -0.09 0.00 0.02 0.00 0.00 54.13 56.10 1sks s LEU 638 Cb 0.00 -3.61 -0.05 0.00 0.02 0.00 0.00 46.19 42.55 1sks s LEU 638 CO 0.00 0.02 0.15 -0.75 0.02 0.00 0.00 176.35 175.80 1sks s LYS 639 N -1.11 3.88 -0.34 1.70 2.20 -1.26 -4.04 119.74 120.78 1sks s LYS 639 Ca 0.43 -0.14 -0.23 0.00 -0.36 0.00 0.00 55.97 55.67 1sks s LYS 639 Cb -0.28 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1sks s LYS 639 CO 0.35 0.50 0.77 -1.58 -0.36 0.00 0.00 175.35 175.03 1sks s HIS 640 N -0.24 3.16 0.00 4.03 5.65 -1.26 -0.95 115.29 125.67 1sks s HIS 640 Ca 0.12 0.65 0.00 0.00 0.25 0.00 0.00 55.06 56.08 1sks s HIS 640 Cb -0.12 -3.29 0.00 0.00 -1.18 0.00 0.00 32.58 27.99 1sks s HIS 640 CO 0.01 -0.64 0.00 0.41 -0.65 0.00 0.00 174.74 173.87 1sks n GLY 641 N 4.39 2.97 0.19 1.59 0.00 0.49 -4.83 105.19 109.99 1sks n GLY 641 Ca 0.03 -1.55 0.14 0.00 0.00 0.00 0.00 46.02 44.64 1sks n GLY 641 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1sks h TRP 642 N 0.00 0.00 -0.29 1.61 4.06 -1.92 -1.07 115.95 118.34 1sks h TRP 642 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1sks h TRP 642 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1sks h TRP 642 CO 0.00 0.00 0.00 -0.40 -3.56 0.00 0.00 178.44 174.48 1sks n ASP 643 N -2.58 2.30 0.00 -3.49 5.75 -1.26 -4.65 116.55 112.61 1sks n ASP 643 Ca 0.02 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1sks n ASP 643 Cb 0.28 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1sks n ASP 643 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sks n GLY 644 N 1.25 2.41 0.03 6.12 0.00 -0.41 -5.07 105.19 109.52 1sks n GLY 644 Ca 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1sks n GLY 644 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sks n ASP 645 N 0.00 2.62 -3.69 1.61 8.00 -0.13 -4.79 116.55 120.16 1sks n ASP 645 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1sks n ASP 645 Cb 0.00 1.07 -0.05 0.00 -0.02 0.00 0.00 41.12 42.11 1sks n ASP 645 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1sks s PHE 646 N -2.45 -0.11 -0.12 1.24 -0.71 -1.15 -1.25 117.98 113.43 1sks s PHE 646 Ca -0.04 -0.22 -0.05 0.00 -1.04 0.00 0.00 56.93 55.57 1sks s PHE 646 Cb 0.05 0.18 0.06 0.00 -1.21 0.00 0.00 43.02 42.09 1sks s PHE 646 CO 0.41 -0.66 0.26 0.00 -1.34 0.00 0.00 175.22 173.89 1sks s ALA 647 N -3.78 -0.56 0.08 1.99 0.00 0.15 -0.38 121.76 119.26 1sks s ALA 647 Ca 0.03 0.98 -0.31 0.00 0.00 0.00 0.00 51.96 52.66 1sks s ALA 647 Cb 0.03 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.24 1sks s ALA 647 CO -0.12 -0.42 1.40 0.71 0.00 0.00 0.00 175.76 177.34 1sks s TYR 648 N 1.84 3.10 -0.05 0.00 1.51 -1.26 -0.02 117.35 122.46 1sks s TYR 648 Ca -0.04 0.89 0.03 0.00 -1.01 0.00 0.00 57.07 56.94 1sks s TYR 648 Cb -0.11 -3.68 -0.05 0.00 -0.11 0.00 0.00 41.96 38.00 1sks s TYR 648 CO -0.09 -2.45 -0.02 -1.33 -1.11 0.00 0.00 175.55 170.56 1sks n MET 649 N 4.43 1.84 -3.70 -0.62 2.81 -0.41 -4.61 117.12 116.87 1sks n MET 649 Ca 0.12 0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.89 1sks n MET 649 Cb 0.43 -1.12 -0.09 0.00 -0.71 0.00 0.00 33.22 31.72 1sks n MET 649 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sks s ALA 650 N -2.12 -1.22 -0.31 3.04 0.00 -1.08 -4.57 121.76 115.51 1sks s ALA 650 Ca -0.05 1.36 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 1sks s ALA 650 Cb 0.02 -0.77 0.10 0.00 0.00 0.00 0.00 23.12 22.46 1sks s ALA 650 CO 0.17 -0.24 0.08 -0.46 0.00 0.00 0.00 175.76 175.31 1sks s TRP 651 N 0.19 2.03 -0.89 0.00 -0.00 -1.26 -0.53 118.94 118.49 1sks s TRP 651 Ca -0.01 -1.90 -0.01 0.00 -0.00 0.00 0.00 56.10 54.18 1sks s TRP 651 Cb -0.03 -1.87 0.22 0.00 -0.00 0.00 0.00 33.47 31.78 1sks s TRP 651 CO 0.01 -0.87 0.77 0.08 -0.00 0.00 0.00 176.95 176.93 1sks s VAL 652 N 1.50 4.28 0.00 5.86 1.01 0.42 -4.98 120.40 128.49 1sks s VAL 652 Ca 0.09 -3.91 0.00 0.00 0.00 0.00 0.00 61.98 58.16 1sks s VAL 652 Cb -0.18 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1sks s VAL 652 CO -0.21 -1.09 0.00 1.41 0.00 0.00 0.00 175.10 175.22 1sks n HIS 653 N 2.29 0.00 0.44 5.22 8.25 -1.26 -2.54 115.22 127.62 1sks n HIS 653 Ca 0.21 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.78 1sks n HIS 653 Cb 0.37 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.74 1sks n HIS 653 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1sks n ASP 654 N 2.51 2.98 -3.90 0.41 5.75 -1.26 -4.86 116.55 118.18 1sks n ASP 654 Ca 0.00 -1.94 -0.11 0.00 -0.01 0.00 0.00 54.79 52.74 1sks n ASP 654 Cb 0.00 -0.27 -0.11 0.00 -1.03 0.00 0.00 41.12 39.71 1sks n ASP 654 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1sks s GLU 655 N -1.46 0.35 0.03 0.11 2.12 -1.05 -1.50 118.70 117.29 1sks s GLU 655 Ca 0.38 -0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.41 1sks s GLU 655 Cb 0.21 0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.72 1sks s GLU 655 CO 0.29 -0.07 -0.14 0.96 -0.54 0.00 0.00 175.26 175.75 1sks s ILE 656 N -1.09 1.13 -0.19 -3.70 -4.36 -0.67 -0.44 121.20 111.87 1sks s ILE 656 Ca -0.12 -0.91 -0.03 0.00 -0.26 0.00 0.00 60.65 59.33 1sks s ILE 656 Cb -0.07 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.63 1sks s ILE 656 CO 0.00 0.08 -0.05 -1.10 0.24 0.00 0.00 174.94 174.12 1sks s GLN 657 N -0.94 3.47 -0.12 0.37 -1.52 0.31 -1.71 119.66 119.52 1sks s GLN 657 Ca 0.03 -0.60 0.03 0.00 -1.95 0.00 0.00 55.36 52.87 1sks s GLN 657 Cb -0.07 -2.95 0.01 0.00 -0.22 0.00 0.00 33.01 29.78 1sks s GLN 657 CO 0.01 -0.02 -0.20 0.08 -0.25 0.00 0.00 175.29 174.90 1sks s VAL 658 N 1.03 1.90 0.14 1.09 1.01 -0.35 -1.28 120.40 123.95 1sks s VAL 658 Ca 0.01 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 1sks s VAL 658 Cb -0.15 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 34.48 1sks s VAL 658 CO 0.00 0.52 0.84 -0.83 0.00 0.00 0.00 175.10 175.63 1sks s GLY 659 N 0.77 2.95 -0.02 4.51 0.00 0.98 -0.63 107.32 115.87 1sks s GLY 659 Ca -0.09 0.43 0.03 0.00 0.00 0.00 0.00 44.72 45.08 1sks s GLY 659 CO 0.00 1.08 -0.09 0.00 0.00 0.00 0.00 173.10 174.09 1sks h ARG 661 N 6.26 0.00 -3.99 0.00 2.43 -1.46 0.14 114.38 117.76 1sks h ARG 661 Ca -0.33 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.73 1sks h ARG 661 Cb 1.17 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.59 1sks h ARG 661 CO 0.49 0.03 -0.39 0.95 -1.51 0.00 0.00 179.97 179.54 1sks s THR 662 N -4.81 0.08 0.34 0.20 -4.23 -1.26 -4.67 115.64 101.29 1sks s THR 662 Ca -0.05 -1.48 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 1sks s THR 662 Cb 0.16 -1.83 0.10 0.00 1.34 0.00 0.00 72.50 72.26 1sks s THR 662 CO 0.63 -0.37 1.81 -0.08 -0.54 0.00 0.00 174.62 176.07 1sks h GLU 663 N 2.63 0.22 -0.47 3.99 4.81 -1.96 -1.69 114.58 122.11 1sks h GLU 663 Ca -0.33 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 58.76 1sks h GLU 663 Cb 1.22 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1sks h GLU 663 CO 0.51 0.49 0.02 1.49 -0.73 0.00 0.00 179.01 180.79 1sks h GLU 664 N 0.20 0.82 -0.58 1.92 4.81 -1.98 -1.48 114.58 118.28 1sks h GLU 664 Ca 0.03 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 58.93 1sks h GLU 664 Cb 0.61 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1sks h GLU 664 CO 0.04 0.86 0.04 0.82 -0.73 0.00 0.00 179.01 180.05 1sks h ILE 665 N 0.67 1.26 -0.35 2.32 2.04 -1.86 -1.78 117.51 119.81 1sks h ILE 665 Ca 0.14 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 1sks h ILE 665 Cb 0.48 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1sks h ILE 665 CO 0.02 0.38 0.07 0.00 0.00 0.00 0.00 178.15 178.63 1sks h ALA 666 N 1.13 1.48 -0.16 1.87 0.00 -1.00 0.04 119.26 122.63 1sks h ALA 666 Ca 0.17 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1sks h ALA 666 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1sks h ALA 666 CO 0.02 0.38 -0.51 1.96 0.00 0.00 0.00 179.25 181.10 1sks h GLN 667 N 0.50 0.43 -0.29 0.00 4.20 -0.69 -1.87 115.11 117.40 1sks h GLN 667 Ca 0.12 -0.25 -0.17 0.00 0.06 0.00 0.00 58.65 58.40 1sks h GLN 667 Cb 0.21 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1sks h GLN 667 CO -0.00 0.84 -0.51 0.28 -0.67 0.00 0.00 178.83 178.77 1sks h VAL 668 N 0.34 1.28 -0.16 -0.54 2.07 -0.50 -2.33 116.25 116.41 1sks h VAL 668 Ca 0.01 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 1sks h VAL 668 Cb 1.02 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1sks h VAL 668 CO 0.09 0.55 0.10 0.58 0.02 0.00 0.00 177.57 178.91 1sks h VAL 669 N 0.65 1.07 -0.52 2.57 2.07 -0.87 0.20 116.25 121.41 1sks h VAL 669 Ca 0.02 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1sks h VAL 669 Cb 1.10 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1sks h VAL 669 CO 0.11 0.07 0.32 0.40 0.02 0.00 0.00 177.57 178.49 1sks h ILE 670 N 0.19 1.15 -0.52 4.57 2.04 -1.33 0.23 117.51 123.84 1sks h ILE 670 Ca 0.06 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 1sks h ILE 670 Cb 0.02 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1sks h ILE 670 CO -0.01 0.15 -0.14 -0.33 0.00 0.00 0.00 178.15 177.82 1sks h GLU 671 N 0.69 0.99 -0.29 2.37 5.08 -1.24 -2.81 114.58 119.38 1sks h GLU 671 Ca 0.19 -0.38 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 1sks h GLU 671 Cb -0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1sks h GLU 671 CO -0.04 1.06 -0.32 1.15 -1.00 0.00 0.00 179.01 179.86 1sks h THR 672 N 0.88 1.28 -0.87 1.13 2.02 -0.33 -2.39 112.91 114.63 1sks h THR 672 Ca 0.13 -1.44 -0.03 0.00 0.77 0.00 0.00 66.41 65.84 1sks h THR 672 Cb 0.70 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 1sks h THR 672 CO 0.05 0.46 0.43 0.00 0.37 0.00 0.00 175.52 176.84 1sks h ALA 673 N 1.12 1.13 -0.42 6.16 0.00 -0.80 0.33 119.26 126.78 1sks h ALA 673 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1sks h ALA 673 Cb 0.81 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1sks h ALA 673 CO 0.07 0.67 0.11 0.37 0.00 0.00 0.00 179.25 180.46 1sks h GLN 674 N 1.23 0.67 -0.34 0.00 5.75 -1.28 -0.76 115.11 120.38 1sks h GLN 674 Ca 0.30 -0.16 0.02 0.00 -0.15 0.00 0.00 58.65 58.66 1sks h GLN 674 Cb 0.10 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 1sks h GLN 674 CO -0.04 0.68 0.18 0.93 -2.65 0.00 0.00 178.83 177.92 1sks h GLU 675 N 0.54 0.35 -0.74 1.69 5.08 -0.91 -1.99 114.58 118.61 1sks h GLU 675 Ca 0.13 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1sks h GLU 675 Cb 0.31 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1sks h GLU 675 CO 0.00 0.23 0.26 0.00 -1.00 0.00 0.00 179.01 178.51 1sks h ALA 676 N 1.17 1.06 -0.88 3.43 0.00 -0.75 -0.61 119.26 122.70 1sks h ALA 676 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1sks h ALA 676 Cb 0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1sks h ALA 676 CO -0.09 0.65 0.45 1.98 0.00 0.00 0.00 179.25 182.24 1sks h MET 677 N 1.09 1.24 -0.21 0.00 1.85 -0.82 -0.52 114.93 117.55 1sks h MET 677 Ca 0.24 -0.16 -0.12 0.00 -0.61 0.00 0.00 59.70 59.05 1sks h MET 677 Cb 0.25 -0.23 -0.01 0.00 0.43 0.00 0.00 31.60 32.04 1sks h MET 677 CO -0.01 0.93 -0.38 0.00 -0.40 0.00 0.00 176.91 177.04 1sks h ARG 678 N 1.24 0.48 -0.55 0.39 2.47 -0.95 -2.16 114.38 115.29 1sks h ARG 678 Ca 0.31 -0.23 -0.07 0.00 -1.26 0.00 0.00 59.98 58.72 1sks h ARG 678 Cb 0.07 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1sks h ARG 678 CO -0.04 0.79 0.06 2.35 0.56 0.00 0.00 179.97 183.69 1sks h TRP 679 N 0.40 0.95 -0.21 3.04 7.01 -0.38 -2.29 115.95 124.48 1sks h TRP 679 Ca 0.04 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 60.89 1sks h TRP 679 Cb 0.85 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 1sks h TRP 679 CO 0.03 0.83 0.04 0.28 -2.79 0.00 0.00 178.44 176.83 1sks h VAL 680 N 0.85 1.22 -0.91 2.65 2.07 -0.74 0.31 116.25 121.68 1sks h VAL 680 Ca 0.17 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.03 1sks h VAL 680 Cb 0.41 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1sks h VAL 680 CO 0.01 0.22 0.59 1.23 0.02 0.00 0.00 177.57 179.64 1sks h GLY 681 N 0.15 1.35 0.89 2.17 0.00 -1.23 -2.09 103.07 104.30 1sks h GLY 681 Ca 0.06 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1sks h GLY 681 CO 0.00 0.35 -0.19 -1.80 0.00 0.00 0.00 176.54 174.91 1sks h ASP 682 N 1.12 0.61 -0.88 0.19 3.58 -1.30 0.40 116.42 120.14 1sks h ASP 682 Ca 0.38 -0.44 0.09 0.00 0.42 0.00 0.00 57.03 57.47 1sks h ASP 682 Cb 0.06 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 40.88 1sks h ASP 682 CO -0.14 0.93 0.57 -0.74 -2.88 0.00 0.00 179.24 176.98 1sks h HIS 683 N 0.30 0.94 -0.51 0.28 2.76 -0.47 -1.87 115.15 116.58 1sks h HIS 683 Ca 0.05 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.09 1sks h HIS 683 Cb 0.73 -0.31 -0.09 0.00 1.55 0.00 0.00 27.41 29.29 1sks h HIS 683 CO 0.07 0.45 0.12 0.91 -1.30 0.00 0.00 177.93 178.18 1sks n TRP 684 N -4.52 1.71 -4.13 5.26 8.01 -0.83 -4.95 117.44 117.98 1sks n TRP 684 Ca 0.15 -1.23 -0.29 0.00 -1.31 0.00 0.00 57.50 54.82 1sks n TRP 684 Cb 0.29 -0.54 -0.06 0.00 -2.01 0.00 0.00 31.31 28.99 1sks n TRP 684 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1sks n ASN 685 N -0.54 0.09 -4.74 -0.99 3.02 -0.70 -4.86 115.26 106.54 1sks n ASN 685 Ca 0.34 -1.15 -0.41 0.00 -0.03 0.00 0.00 54.58 53.33 1sks n ASN 685 Cb 1.17 -2.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.02 1sks n ASN 685 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1sks s PHE 686 N -4.15 3.27 -0.54 3.10 5.36 0.14 -4.92 117.98 120.24 1sks s PHE 686 Ca 0.03 1.25 0.07 0.00 -0.96 0.00 0.00 56.93 57.32 1sks s PHE 686 Cb -0.01 -3.58 0.42 0.00 -0.34 0.00 0.00 43.02 39.51 1sks s PHE 686 CO 0.95 -1.79 1.22 0.54 -1.46 0.00 0.00 175.22 174.67 1sks n ARG 687 N 2.55 2.86 -3.74 10.12 5.12 -1.26 -4.73 116.66 127.58 1sks n ARG 687 Ca 0.06 -1.66 -0.12 0.00 -1.93 0.00 0.00 57.85 54.19 1sks n ARG 687 Cb 0.43 -1.87 -0.12 0.00 -1.16 0.00 0.00 32.46 29.74 1sks n ARG 687 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sks s LEU 689 N 0.98 4.38 0.02 0.00 2.96 -1.26 -5.01 118.68 120.75 1sks s LEU 689 Ca -0.07 2.76 -0.00 0.00 -0.22 0.00 0.00 54.13 56.60 1sks s LEU 689 Cb -0.08 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1sks s LEU 689 CO -0.07 -0.73 0.12 -0.76 -1.32 0.00 0.00 176.35 173.60 1sks s LEU 690 N -0.83 4.06 0.18 -0.68 1.43 -1.26 -5.04 118.68 116.54 1sks s LEU 690 Ca 0.57 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.82 1sks s LEU 690 Cb -0.43 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 1sks s LEU 690 CO 0.48 0.24 0.20 -1.81 0.23 0.00 0.00 176.35 175.69 1sks s ASP 691 N -1.99 0.13 0.11 2.29 1.01 -1.26 -4.63 116.67 112.34 1sks s ASP 691 Ca 0.26 -1.13 -0.00 0.00 0.71 0.00 0.00 52.55 52.39 1sks s ASP 691 Cb -0.12 0.40 -0.04 0.00 1.01 0.00 0.00 42.92 44.17 1sks s ASP 691 CO 0.18 -0.87 0.02 0.42 0.21 0.00 0.00 175.17 175.13 1sks s THR 692 N -4.06 0.27 -0.01 -1.27 -4.23 -1.26 -1.75 115.64 103.32 1sks s THR 692 Ca 0.27 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1sks s THR 692 Cb 0.05 -1.90 0.01 0.00 1.34 0.00 0.00 72.50 72.00 1sks s THR 692 CO 0.06 -0.63 -0.01 -1.61 -0.54 0.00 0.00 174.62 171.88 1sks s GLU 693 N -3.98 0.25 0.09 3.99 2.02 -0.47 -4.88 118.70 115.73 1sks s GLU 693 Ca 0.19 -0.01 0.09 0.00 0.02 0.00 0.00 54.97 55.26 1sks s GLU 693 Cb 0.07 -0.33 -0.03 0.00 0.10 0.00 0.00 34.13 33.94 1sks s GLU 693 CO -0.01 -0.03 -0.23 0.20 0.02 0.00 0.00 175.26 175.20 1sks s GLY 694 N 0.44 1.33 -0.01 -1.39 0.00 -1.26 -0.93 107.32 105.50 1sks s GLY 694 Ca -0.04 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.42 1sks s GLY 694 CO -0.01 -1.25 -0.06 0.54 0.00 0.00 0.00 173.10 172.32 1sks s LYS 695 N -1.75 0.52 0.18 2.90 1.02 0.81 -4.96 119.74 118.46 1sks s LYS 695 Ca 0.09 -0.22 0.05 0.00 0.02 0.00 0.00 55.97 55.92 1sks s LYS 695 Cb -0.10 -0.51 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 1sks s LYS 695 CO 0.04 0.12 0.15 -1.64 -0.92 0.00 0.00 175.35 173.10 1sks s MET 696 N -0.08 2.91 0.00 1.68 -1.94 -1.26 -0.10 119.30 120.51 1sks s MET 696 Ca 0.02 -0.89 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 1sks s MET 696 Cb -0.03 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.17 1sks s MET 696 CO -0.00 0.47 0.00 0.41 -0.01 0.00 0.00 175.02 175.89 1sks n GLY 697 N -0.46 -1.76 0.12 -0.03 0.00 -0.60 -4.80 105.19 97.66 1sks n GLY 697 Ca -0.08 -1.12 0.02 0.00 0.00 0.00 0.00 46.02 44.84 1sks n GLY 697 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sks h PRO 698 N 0.00 0.00 0.00 1.61 0.13 -1.91 0.21 132.00 132.04 1sks h PRO 698 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 1sks h PRO 698 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1sks h PRO 698 CO 0.00 0.39 -0.12 0.27 -0.23 0.00 0.00 178.00 178.31 1sks n ASN 699 N -3.06 -1.02 0.21 1.44 0.23 -1.26 -1.62 115.26 110.18 1sks n ASN 699 Ca -0.03 -2.45 0.05 0.00 -0.53 0.00 0.00 54.58 51.62 1sks n ASN 699 Cb 0.77 1.91 0.45 0.00 -2.08 0.00 0.00 39.78 40.83 1sks n ASN 699 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1sks h TRP 700 N 1.77 0.00 -0.66 -2.53 2.91 -0.99 -1.61 115.95 114.85 1sks h TRP 700 Ca -0.21 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.73 1sks h TRP 700 Cb 0.91 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.53 1sks h TRP 700 CO 0.00 0.30 0.08 0.00 -1.03 0.00 0.00 178.44 177.79 1sks h ALA 701 N 1.70 0.90 0.00 2.65 0.00 -1.79 -2.94 119.26 119.78 1sks h ALA 701 Ca -0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1sks h ALA 701 Cb 0.58 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1sks h ALA 701 CO 0.04 0.67 -1.05 0.82 0.00 0.00 0.00 179.25 179.73 1sks h ILE 702 N 1.03 0.94 -0.33 0.00 2.04 -1.86 -3.31 117.51 116.01 1sks h ILE 702 Ca 0.20 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1sks h ILE 702 Cb 0.47 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1sks h ILE 702 CO 0.02 0.53 0.00 0.00 0.00 0.00 0.00 178.15 178.70