#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7s n TRP 5 N 0.00 2.11 -1.43 1.57 4.27 -1.26 -4.92 117.44 117.77 2x7s n TRP 5 Ca 0.00 0.42 0.00 0.00 -3.89 0.00 0.00 57.50 54.03 2x7s n TRP 5 Cb 0.00 -2.31 0.00 0.00 -1.36 0.00 0.00 31.31 27.64 2x7s n TRP 5 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2x7s n GLY 6 N 0.85 3.29 0.10 -1.67 0.00 -0.56 -5.03 105.19 102.17 2x7s n GLY 6 Ca 0.13 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.56 2x7s n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x7s n TYR 7 N 0.00 0.02 -1.79 1.61 4.01 -1.26 -3.28 117.16 116.47 2x7s n TYR 7 Ca 0.00 -0.11 -0.23 0.00 -0.16 0.00 0.00 57.90 57.41 2x7s n TYR 7 Cb 0.00 -0.01 0.15 0.00 -0.31 0.00 0.00 39.34 39.18 2x7s n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x7s n GLY 8 N 0.04 -1.25 0.22 2.72 0.00 -1.26 -4.52 105.19 101.15 2x7s n GLY 8 Ca 0.02 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.37 2x7s n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2x7s h LYS 9 N 0.00 0.00 0.00 1.61 3.64 -1.97 0.28 116.57 120.14 2x7s h LYS 9 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2x7s h LYS 9 Cb 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2x7s h LYS 9 CO 0.24 0.22 -1.67 0.72 -2.27 0.00 0.00 179.45 176.68 2x7s n HIS 10 N -4.17 0.00 -0.51 1.91 8.25 -1.26 -4.54 115.22 114.91 2x7s n HIS 10 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2x7s n HIS 10 Cb 0.28 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2x7s n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2x7s n ASN 11 N -2.02 0.85 -2.73 0.41 6.94 -1.19 -4.94 115.26 112.58 2x7s n ASN 11 Ca -0.02 -1.36 -0.11 0.00 -0.02 0.00 0.00 54.58 53.08 2x7s n ASN 11 Cb 0.48 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.98 2x7s n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2x7s n GLY 12 N -0.18 -1.45 0.59 4.83 0.00 1.00 -1.50 105.19 108.48 2x7s n GLY 12 Ca 0.00 -1.65 0.43 0.00 0.00 0.00 0.00 46.02 44.80 2x7s n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2x7s h PRO 13 N 0.00 0.04 0.00 1.61 0.11 -1.82 0.69 132.00 132.63 2x7s h PRO 13 Ca -0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2x7s h PRO 13 Cb 0.44 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2x7s h PRO 13 CO 0.11 0.02 0.00 0.39 -0.21 0.00 0.00 178.00 178.31 2x7s n GLU 14 N -4.20 0.23 -0.00 1.05 -0.58 -1.26 -2.96 120.64 112.92 2x7s n GLU 14 Ca 0.36 0.33 0.10 0.00 -0.42 0.00 0.00 57.16 57.53 2x7s n GLU 14 Cb 1.61 -1.85 -0.13 0.00 -0.57 0.00 0.00 31.44 30.51 2x7s n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2x7s n HIS 15 N -2.26 0.00 -0.24 -0.32 8.25 0.23 -4.65 115.22 116.24 2x7s n HIS 15 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2x7s n HIS 15 Cb 0.32 -0.12 0.22 0.00 1.12 0.00 0.00 29.99 31.54 2x7s n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2x7s h TRP 16 N 0.00 1.00 0.00 4.41 6.55 -1.51 -2.60 115.95 123.79 2x7s h TRP 16 Ca 0.00 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2x7s h TRP 16 Cb 0.59 -0.34 0.00 0.00 -0.86 0.00 0.00 29.16 28.55 2x7s h TRP 16 CO 0.00 0.63 0.07 1.12 -1.05 0.00 0.00 178.44 179.21 2x7s h HIS 17 N 1.07 0.00 0.05 0.49 2.07 -1.79 -0.10 115.15 116.94 2x7s h HIS 17 Ca 0.29 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.54 2x7s h HIS 17 Cb -0.12 0.00 0.02 0.00 2.57 0.00 0.00 27.41 29.88 2x7s h HIS 17 CO 0.00 0.00 -1.11 0.87 -3.07 0.00 0.00 177.93 174.62 2x7s h LYS 18 N 0.00 0.58 0.00 5.12 1.57 -1.81 -2.59 116.57 119.44 2x7s h LYS 18 Ca 0.00 -0.70 -0.11 0.00 -1.87 0.00 0.00 60.65 57.97 2x7s h LYS 18 Cb 0.15 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2x7s h LYS 18 CO 0.00 1.29 -1.80 -0.25 -0.57 0.00 0.00 179.45 178.12 2x7s n ASP 19 N -3.79 0.31 -3.53 0.86 8.00 -1.03 -4.69 116.55 112.68 2x7s n ASP 19 Ca -0.11 0.13 -0.27 0.00 0.71 0.00 0.00 54.79 55.25 2x7s n ASP 19 Cb 0.92 1.17 -0.10 0.00 -0.02 0.00 0.00 41.12 43.09 2x7s n ASP 19 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2x7s n PHE 20 N -2.56 0.96 0.25 1.24 3.72 -0.08 -4.98 117.46 116.02 2x7s n PHE 20 Ca -0.10 -3.75 0.15 0.00 -0.05 0.00 0.00 57.45 53.69 2x7s n PHE 20 Cb 0.74 -0.19 0.67 0.00 -0.94 0.00 0.00 39.48 39.76 2x7s n PHE 20 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2x7s h PRO 21 N 5.19 0.00 0.00 -1.08 0.11 -1.69 0.11 132.00 134.64 2x7s h PRO 21 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2x7s h PRO 21 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2x7s h PRO 21 CO 0.54 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.30 2x7s h ILE 22 N 0.00 0.00 -1.37 4.15 2.10 -1.91 -2.98 117.51 117.49 2x7s h ILE 22 Ca 0.07 -0.22 0.40 0.00 1.08 0.00 0.00 64.86 66.19 2x7s h ILE 22 Cb 1.08 1.13 -0.06 0.00 -1.09 0.00 0.00 36.82 37.88 2x7s h ILE 22 CO -0.00 0.00 0.98 0.00 -1.08 0.00 0.00 178.15 178.05 2x7s h ALA 23 N 2.03 3.28 -1.05 0.18 0.00 -1.09 0.40 119.26 123.01 2x7s h ALA 23 Ca 0.00 -0.04 -0.68 0.00 0.00 0.00 0.00 54.91 54.19 2x7s h ALA 23 Cb 0.23 0.10 -0.33 0.00 0.00 0.00 0.00 17.79 17.80 2x7s h ALA 23 CO 0.00 -1.68 0.42 1.63 0.00 0.00 0.00 179.25 179.62 2x7s n LYS 24 N -4.14 2.98 -1.29 0.00 5.02 -1.13 -4.94 118.16 114.65 2x7s n LYS 24 Ca 0.30 -3.71 -0.12 0.00 -2.02 0.00 0.00 58.31 52.76 2x7s n LYS 24 Cb 1.42 -2.27 0.07 0.00 -0.02 0.00 0.00 35.03 34.23 2x7s n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x7s n GLY 25 N -0.68 0.03 0.14 0.72 0.00 0.14 -5.02 105.19 100.53 2x7s n GLY 25 Ca 0.53 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.78 2x7s n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x7s h GLU 26 N 0.00 0.00 -2.05 1.61 4.39 -1.96 -3.38 114.58 113.20 2x7s h GLU 26 Ca -0.17 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.02 2x7s h GLU 26 Cb 0.55 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.80 2x7s h GLU 26 CO 0.15 0.00 -1.09 2.89 -1.16 0.00 0.00 179.01 179.80 2x7s n ARG 27 N -2.77 1.30 -3.23 2.33 1.85 -1.26 -4.73 116.66 110.16 2x7s n ARG 27 Ca 0.01 -3.61 -0.34 0.00 -1.00 0.00 0.00 57.85 52.92 2x7s n ARG 27 Cb 0.54 -1.73 -0.06 0.00 -1.05 0.00 0.00 32.46 30.15 2x7s n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2x7s s GLN 28 N -2.41 4.02 0.25 2.89 -1.52 -1.26 -2.84 119.66 118.79 2x7s s GLN 28 Ca 0.41 0.60 0.11 0.00 -1.95 0.00 0.00 55.36 54.53 2x7s s GLN 28 Cb 0.31 -2.69 -0.05 0.00 -0.22 0.00 0.00 33.01 30.36 2x7s s GLN 28 CO -0.09 0.32 -0.18 -1.12 -0.25 0.00 0.00 175.29 173.96 2x7s s SER 29 N -2.01 3.25 1.03 5.90 0.01 -1.26 -4.67 113.70 115.95 2x7s s SER 29 Ca 0.46 -1.01 -0.17 0.00 1.31 0.00 0.00 55.95 56.55 2x7s s SER 29 Cb -0.13 -0.24 0.22 0.00 0.21 0.00 0.00 66.02 66.07 2x7s s SER 29 CO 0.19 -0.02 1.23 -2.16 0.41 0.00 0.00 173.24 172.89 2x7s s PRO 30 N -3.49 0.12 0.14 12.44 0.04 -1.26 -4.45 135.00 138.54 2x7s s PRO 30 Ca 0.27 -0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.14 2x7s s PRO 30 Cb -0.04 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2x7s s PRO 30 CO 0.12 -2.80 -0.05 0.14 0.04 0.00 0.00 177.00 174.45 2x7s s VAL 31 N -3.51 0.82 -0.02 -0.36 -7.23 -1.26 0.07 120.40 108.91 2x7s s VAL 31 Ca 0.71 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 2x7s s VAL 31 Cb -0.07 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 2x7s s VAL 31 CO 0.54 -0.69 0.98 -0.62 -0.31 0.00 0.00 175.10 175.00 2x7s s ASP 32 N -3.13 7.34 -0.68 4.85 2.15 -1.26 -3.15 116.67 122.79 2x7s s ASP 32 Ca 0.18 1.63 -0.20 0.00 0.43 0.00 0.00 52.55 54.58 2x7s s ASP 32 Cb 0.05 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 40.20 2x7s s ASP 32 CO -0.00 -0.30 0.87 -0.63 -0.17 0.00 0.00 175.17 174.94 2x7s s ILE 33 N 1.22 4.65 -0.32 4.11 1.01 0.21 -4.93 121.20 127.15 2x7s s ILE 33 Ca 0.51 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 2x7s s ILE 33 Cb -0.20 -4.61 0.01 0.00 0.01 0.00 0.00 42.46 37.67 2x7s s ILE 33 CO 0.26 -1.31 0.92 -0.62 0.00 0.00 0.00 174.94 174.19 2x7s s ASP 34 N 3.59 6.77 0.42 3.58 -1.08 -1.26 -0.81 116.67 127.88 2x7s s ASP 34 Ca 0.19 0.79 0.23 0.00 -0.52 0.00 0.00 52.55 53.24 2x7s s ASP 34 Cb -0.18 -2.47 0.43 0.00 -1.46 0.00 0.00 42.92 39.24 2x7s s ASP 34 CO 0.05 -0.76 1.63 0.71 0.52 0.00 0.00 175.17 177.32 2x7s h THR 35 N 5.69 0.21 -0.13 1.71 1.35 -1.95 -0.93 112.91 118.85 2x7s h THR 35 Ca -0.23 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2x7s h THR 35 Cb 1.08 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 2x7s h THR 35 CO 0.96 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 176.34 2x7s n HIS 36 N -3.14 0.18 0.00 4.73 1.44 -1.26 -3.67 115.22 113.49 2x7s n HIS 36 Ca 0.03 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 2x7s n HIS 36 Cb 0.54 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 2x7s n HIS 36 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2x7s n THR 37 N -0.11 0.00 -2.06 0.61 -2.24 -1.03 -5.08 114.28 104.36 2x7s n THR 37 Ca 0.04 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2x7s n THR 37 Cb 0.12 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 2x7s n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x7s s ALA 38 N -0.47 3.62 -0.41 6.98 0.00 -0.38 -4.86 121.76 126.24 2x7s s ALA 38 Ca 0.00 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 2x7s s ALA 38 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.59 2x7s s ALA 38 CO 0.00 -0.69 0.42 0.21 0.00 0.00 0.00 175.76 175.70 2x7s s LYS 39 N 0.11 3.15 0.15 0.00 2.20 -0.51 -4.86 119.74 119.98 2x7s s LYS 39 Ca 0.61 -0.73 -0.34 0.00 -0.36 0.00 0.00 55.97 55.15 2x7s s LYS 39 Cb -0.40 -3.95 -0.14 0.00 -1.51 0.00 0.00 37.83 31.83 2x7s s LYS 39 CO 0.39 -0.80 1.60 0.98 -0.36 0.00 0.00 175.35 177.15 2x7s n TYR 40 N 5.54 2.32 -3.90 4.03 9.36 -1.26 -0.64 117.16 132.61 2x7s n TYR 40 Ca -0.08 0.24 -0.30 0.00 3.32 0.00 0.00 57.90 61.08 2x7s n TYR 40 Cb 0.48 -2.56 -0.15 0.00 -0.63 0.00 0.00 39.34 36.47 2x7s n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2x7s s ASP 41 N 1.07 4.17 0.61 2.98 -1.08 0.31 -4.84 116.67 119.89 2x7s s ASP 41 Ca 0.79 -1.61 0.38 0.00 -0.52 0.00 0.00 52.55 51.59 2x7s s ASP 41 Cb -0.66 -1.21 1.93 0.00 -1.46 0.00 0.00 42.92 41.52 2x7s s ASP 41 CO 0.38 -0.34 2.20 -0.65 0.52 0.00 0.00 175.17 177.29 2x7s h PRO 42 N 7.90 0.00 0.00 4.34 0.11 -1.94 -2.14 132.00 140.27 2x7s h PRO 42 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2x7s h PRO 42 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2x7s h PRO 42 CO 0.46 0.02 0.00 1.03 -0.21 0.00 0.00 178.00 179.30 2x7s h SER 43 N 0.00 0.00 -2.81 -2.05 0.87 -1.95 -3.45 113.55 104.16 2x7s h SER 43 Ca -0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 2x7s h SER 43 Cb 0.21 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2x7s h SER 43 CO 0.00 0.00 0.91 -0.76 -0.53 0.00 0.00 176.83 176.45 2x7s s LEU 44 N -4.71 4.33 0.56 2.23 1.43 -0.81 -5.00 118.68 116.72 2x7s s LEU 44 Ca 0.07 2.26 -0.18 0.00 -1.03 0.00 0.00 54.13 55.25 2x7s s LEU 44 Cb 0.10 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 2x7s s LEU 44 CO 0.50 -0.79 1.06 -0.54 0.23 0.00 0.00 176.35 176.81 2x7s s LYS 45 N 2.55 3.44 0.52 1.70 1.02 -1.19 -5.00 119.74 122.78 2x7s s LYS 45 Ca 0.68 1.32 -0.22 0.00 0.02 0.00 0.00 55.97 57.77 2x7s s LYS 45 Cb -0.35 -2.04 -0.06 0.00 -0.52 0.00 0.00 37.83 34.86 2x7s s LYS 45 CO 0.29 -0.73 1.30 -2.30 -0.92 0.00 0.00 175.35 172.99 2x7s n PRO 46 N -1.61 1.69 -1.95 -1.68 -0.02 -1.26 -3.95 135.00 126.22 2x7s n PRO 46 Ca 0.09 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.82 2x7s n PRO 46 Cb 0.52 -2.49 0.04 0.00 -0.02 0.00 0.00 33.50 31.55 2x7s n PRO 46 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2x7s s LEU 47 N -2.81 3.73 -0.40 2.45 1.43 -1.26 -2.16 118.68 119.65 2x7s s LEU 47 Ca 0.69 2.49 0.04 0.00 -1.03 0.00 0.00 54.13 56.32 2x7s s LEU 47 Cb -0.44 -4.50 0.11 0.00 0.03 0.00 0.00 46.19 41.39 2x7s s LEU 47 CO 0.52 -1.58 0.13 -0.55 0.23 0.00 0.00 176.35 175.09 2x7s s SER 48 N -1.41 4.59 -0.25 2.29 0.15 -0.52 -4.79 113.70 113.76 2x7s s SER 48 Ca 0.76 -2.46 -0.10 0.00 0.70 0.00 0.00 55.95 54.85 2x7s s SER 48 Cb -0.33 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 2x7s s SER 48 CO 0.37 -0.33 0.14 -0.69 1.20 0.00 0.00 173.24 173.93 2x7s s VAL 49 N 0.49 5.04 -0.52 4.45 1.01 -1.26 -0.94 120.40 128.66 2x7s s VAL 49 Ca 0.13 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2x7s s VAL 49 Cb -0.21 -3.36 0.15 0.00 0.00 0.00 0.00 36.38 32.95 2x7s s VAL 49 CO -0.05 0.32 0.32 -0.44 0.00 0.00 0.00 175.10 175.24 2x7s s SER 50 N 1.40 3.88 0.00 3.32 0.01 -0.29 -4.94 113.70 117.08 2x7s s SER 50 Ca 0.07 -3.08 0.16 0.00 1.31 0.00 0.00 55.95 54.40 2x7s s SER 50 Cb -0.15 -1.27 0.03 0.00 0.21 0.00 0.00 66.02 64.84 2x7s s SER 50 CO 0.07 -0.20 0.90 -1.22 0.41 0.00 0.00 173.24 173.19 2x7s n TYR 51 N 2.96 0.00 -0.35 2.43 4.01 -1.26 -1.57 117.16 123.37 2x7s n TYR 51 Ca 0.13 0.00 0.25 0.00 -0.16 0.00 0.00 57.90 58.12 2x7s n TYR 51 Cb 0.35 0.00 0.51 0.00 -0.31 0.00 0.00 39.34 39.89 2x7s n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2x7s h ASP 52 N 2.16 0.46 -0.34 7.72 2.03 -1.92 -0.57 116.42 125.96 2x7s h ASP 52 Ca 0.00 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 2x7s h ASP 52 Cb 0.59 0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 2x7s h ASP 52 CO 0.00 -0.05 0.00 0.00 -1.03 0.00 0.00 179.24 178.16 2x7s n GLN 53 N -4.83 2.24 -1.67 4.15 3.00 -1.26 -4.97 117.38 114.03 2x7s n GLN 53 Ca 0.30 -1.87 -0.44 0.00 -0.01 0.00 0.00 57.00 54.98 2x7s n GLN 53 Cb 1.01 -1.47 -0.02 0.00 0.00 0.00 0.00 30.24 29.76 2x7s n GLN 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2x7s n ALA 54 N 1.08 1.12 -3.91 -1.58 0.00 -0.22 -3.31 120.51 113.69 2x7s n ALA 54 Ca 0.18 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.73 2x7s n ALA 54 Cb 0.50 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 2x7s n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2x7s s THR 55 N -0.21 2.55 0.37 0.00 2.01 -1.26 -4.91 115.64 114.18 2x7s s THR 55 Ca 0.66 -3.52 -0.28 0.00 0.31 0.00 0.00 61.69 58.87 2x7s s THR 55 Cb -0.64 -2.74 -0.10 0.00 0.01 0.00 0.00 72.50 69.03 2x7s s THR 55 CO 0.51 -0.87 1.35 -0.44 -0.69 0.00 0.00 174.62 174.49 2x7s s SER 56 N -0.56 6.48 -0.01 3.53 0.01 -1.26 0.02 113.70 121.91 2x7s s SER 56 Ca 0.19 2.77 -0.02 0.00 1.31 0.00 0.00 55.95 60.21 2x7s s SER 56 Cb -0.20 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.38 2x7s s SER 56 CO -0.05 -0.75 -0.04 0.18 0.41 0.00 0.00 173.24 173.00 2x7s n LEU 57 N 0.46 0.34 -3.98 2.44 4.77 0.16 -3.99 117.00 117.20 2x7s n LEU 57 Ca 0.02 0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 2x7s n LEU 57 Cb 0.42 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 2x7s n LEU 57 CO 0.59 -0.51 -0.08 0.00 -1.33 0.00 0.00 177.39 176.06 2x7s s ARG 58 N -1.33 1.07 0.01 3.23 1.70 -1.24 -0.45 118.95 121.95 2x7s s ARG 58 Ca -0.03 -1.19 0.05 0.00 -0.47 0.00 0.00 55.73 54.09 2x7s s ARG 58 Cb 0.00 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 2x7s s ARG 58 CO 0.04 -0.37 -0.12 -1.50 -1.08 0.00 0.00 175.30 172.27 2x7s s ILE 59 N -3.97 3.21 -0.01 4.99 2.07 -0.66 -1.14 121.20 125.70 2x7s s ILE 59 Ca 0.17 -0.91 -0.01 0.00 -1.41 0.00 0.00 60.65 58.49 2x7s s ILE 59 Cb 0.04 -2.35 0.00 0.00 0.13 0.00 0.00 42.46 40.28 2x7s s ILE 59 CO -0.01 0.42 0.03 -0.22 -1.91 0.00 0.00 174.94 173.24 2x7s s LEU 60 N -1.28 1.85 -0.50 8.50 2.96 -0.21 -1.85 118.68 128.15 2x7s s LEU 60 Ca 0.15 0.05 -0.21 0.00 -0.22 0.00 0.00 54.13 53.90 2x7s s LEU 60 Cb -0.11 0.08 0.05 0.00 0.50 0.00 0.00 46.19 46.70 2x7s s LEU 60 CO 0.05 -0.02 0.71 0.21 -1.32 0.00 0.00 176.35 175.98 2x7s s ASN 61 N 0.09 6.28 0.00 3.68 3.84 -0.32 -0.13 114.94 128.37 2x7s s ASN 61 Ca -0.01 -0.63 0.17 0.00 0.21 0.00 0.00 52.86 52.61 2x7s s ASN 61 Cb -0.01 -2.33 0.53 0.00 -0.55 0.00 0.00 41.25 38.89 2x7s s ASN 61 CO -0.00 -0.95 1.42 -0.46 -2.79 0.00 0.00 177.10 174.32 2x7s n ASN 62 N 6.52 2.09 0.00 -4.21 0.23 -0.62 0.79 115.26 120.06 2x7s n ASN 62 Ca -0.03 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.14 2x7s n ASN 62 Cb 0.46 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 2x7s n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x7s n GLY 63 N 1.18 0.90 0.10 4.83 0.00 -1.26 -4.79 105.19 106.15 2x7s n GLY 63 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2x7s n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2x7s n HIS 64 N -2.03 0.00 -3.07 1.61 8.25 -1.26 -4.71 115.22 114.01 2x7s n HIS 64 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2x7s n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2x7s n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2x7s n ALA 65 N -2.46 -0.03 -2.64 -1.41 0.00 -1.26 -4.87 120.51 107.84 2x7s n ALA 65 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 2x7s n ALA 65 Cb 0.45 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 2x7s n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2x7s s PHE 66 N -8.52 3.03 0.00 0.00 -0.12 -1.26 -1.60 117.98 109.51 2x7s s PHE 66 Ca 0.00 0.07 0.03 0.00 -0.05 0.00 0.00 56.93 56.98 2x7s s PHE 66 Cb -0.00 -1.69 -0.01 0.00 -0.63 0.00 0.00 43.02 40.69 2x7s s PHE 66 CO 0.00 0.42 -0.10 0.54 -0.05 0.00 0.00 175.22 176.03 2x7s s ASN 67 N -1.25 1.20 -0.29 1.98 4.22 0.82 -4.05 114.94 117.57 2x7s s ASN 67 Ca 0.16 -0.24 -0.10 0.00 -2.14 0.00 0.00 52.86 50.54 2x7s s ASN 67 Cb -0.11 -0.11 -0.03 0.00 1.28 0.00 0.00 41.25 42.27 2x7s s ASN 67 CO 0.06 0.08 0.16 -0.69 -2.04 0.00 0.00 177.10 174.68 2x7s s VAL 68 N -0.40 4.92 0.09 3.54 1.01 0.72 -1.04 120.40 129.25 2x7s s VAL 68 Ca 0.02 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 2x7s s VAL 68 Cb -0.05 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 2x7s s VAL 68 CO -0.00 0.20 0.55 -1.61 0.00 0.00 0.00 175.10 174.24 2x7s s GLU 69 N 1.69 4.09 0.30 2.72 2.02 -0.29 -1.11 118.70 128.13 2x7s s GLU 69 Ca 0.06 0.62 0.10 0.00 0.02 0.00 0.00 54.97 55.77 2x7s s GLU 69 Cb -0.16 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 2x7s s GLU 69 CO 0.08 0.59 -0.03 -0.06 0.02 0.00 0.00 175.26 175.86 2x7s s PHE 70 N -1.23 2.55 -0.47 1.61 0.40 -0.58 -0.67 117.98 119.60 2x7s s PHE 70 Ca 0.31 -0.34 -0.27 0.00 -0.60 0.00 0.00 56.93 56.04 2x7s s PHE 70 Cb -0.18 -1.29 0.03 0.00 0.51 0.00 0.00 43.02 42.10 2x7s s PHE 70 CO 0.18 0.57 1.00 0.34 0.70 0.00 0.00 175.22 178.02 2x7s s ASP 71 N -3.66 6.54 -1.10 1.36 -1.08 0.10 -4.86 116.67 113.97 2x7s s ASP 71 Ca 0.33 0.23 -0.06 0.00 -0.52 0.00 0.00 52.55 52.53 2x7s s ASP 71 Cb -0.03 -2.48 0.29 0.00 -1.46 0.00 0.00 42.92 39.24 2x7s s ASP 71 CO 0.19 -1.12 1.36 -0.90 0.52 0.00 0.00 175.17 175.22 2x7s n ASP 72 N 7.41 6.06 0.00 -0.34 5.75 -1.26 -4.48 116.55 129.69 2x7s n ASP 72 Ca 0.08 -3.27 0.00 0.00 -0.01 0.00 0.00 54.79 51.60 2x7s n ASP 72 Cb 0.49 -1.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.26 2x7s n ASP 72 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2x7s n SER 73 N 1.93 0.00 -1.94 -1.12 7.64 -1.26 -5.06 113.62 113.82 2x7s n SER 73 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2x7s n SER 73 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2x7s n SER 73 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2x7s n ASP 75 N -1.06 -3.07 -2.34 6.43 5.68 -1.24 -4.77 116.55 116.19 2x7s n ASP 75 Ca 0.00 1.22 -0.02 0.00 -0.50 0.00 0.00 54.79 55.50 2x7s n ASP 75 Cb 0.00 -2.72 0.09 0.00 -1.14 0.00 0.00 41.12 37.35 2x7s n ASP 75 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2x7s n LYS 76 N 1.82 0.94 -2.08 0.11 3.00 -1.21 -5.01 118.16 115.73 2x7s n LYS 76 Ca 0.00 -0.88 -0.43 0.00 -0.00 0.00 0.00 58.31 57.01 2x7s n LYS 76 Cb 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 35.03 35.28 2x7s n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2x7s s ALA 77 N 0.09 3.46 0.02 3.14 0.00 -1.26 -4.74 121.76 122.47 2x7s s ALA 77 Ca 0.07 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.74 2x7s s ALA 77 Cb 0.31 -3.79 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 2x7s s ALA 77 CO -0.09 -1.64 -0.08 0.14 0.00 0.00 0.00 175.76 174.10 2x7s s VAL 78 N 4.58 0.57 -0.17 0.00 -7.23 -0.61 -1.70 120.40 115.84 2x7s s VAL 78 Ca 0.71 -0.61 -0.06 0.00 -1.81 0.00 0.00 61.98 60.21 2x7s s VAL 78 Cb -0.29 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 2x7s s VAL 78 CO 0.28 -0.05 0.04 -0.22 -0.31 0.00 0.00 175.10 174.84 2x7s s LEU 79 N -0.72 3.68 0.00 1.32 2.96 0.66 -1.14 118.68 125.44 2x7s s LEU 79 Ca -0.02 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2x7s s LEU 79 Cb -0.05 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.72 2x7s s LEU 79 CO 0.00 0.19 0.33 2.29 -1.32 0.00 0.00 176.35 177.84 2x7s n LYS 80 N 3.41 0.48 0.00 1.98 2.85 -0.12 -2.00 118.16 124.76 2x7s n LYS 80 Ca -0.17 -2.16 0.00 0.00 -1.05 0.00 0.00 58.31 54.93 2x7s n LYS 80 Cb 0.52 2.01 0.00 0.00 -0.65 0.00 0.00 35.03 36.92 2x7s n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2x7s n GLY 81 N -0.44 0.57 7.00 2.58 0.00 -1.26 -1.44 105.19 112.21 2x7s n GLY 81 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2x7s n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x7s n GLY 82 N 0.00 3.75 1.10 -0.02 0.00 -0.92 -0.65 105.19 108.46 2x7s n GLY 82 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2x7s n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2x7s n PRO 83 N 12.38 2.45 -3.62 1.61 -0.04 -1.26 -3.19 135.00 143.33 2x7s n PRO 83 Ca 0.00 -2.18 -0.32 0.00 -0.04 0.00 0.00 63.50 60.96 2x7s n PRO 83 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2x7s n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2x7s s LEU 84 N -1.55 4.27 0.27 1.53 1.43 0.18 -5.11 118.68 119.69 2x7s s LEU 84 Ca 0.37 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 54.18 2x7s s LEU 84 Cb 0.22 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 2x7s s LEU 84 CO 0.31 0.06 0.41 -1.81 0.23 0.00 0.00 176.35 175.55 2x7s s ASP 85 N -2.30 6.32 0.73 2.29 1.01 -1.26 -4.12 116.67 119.34 2x7s s ASP 85 Ca 0.40 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.87 2x7s s ASP 85 Cb -0.12 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 41.89 2x7s s ASP 85 CO 0.23 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.09 2x7s n GLY 86 N -1.44 -0.18 3.41 0.21 0.00 -1.26 -4.80 105.19 101.13 2x7s n GLY 86 Ca -0.07 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 2x7s n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x7s s THR 87 N 0.00 3.54 -0.20 2.61 2.01 -1.26 -4.67 115.64 117.66 2x7s s THR 87 Ca 0.00 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 2x7s s THR 87 Cb 0.00 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 2x7s s THR 87 CO 0.00 0.48 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.06 2x7s s TYR 88 N 0.67 2.96 -0.10 4.92 1.51 -0.85 -0.92 117.35 125.54 2x7s s TYR 88 Ca -0.03 -0.77 -0.16 0.00 -1.01 0.00 0.00 57.07 55.09 2x7s s TYR 88 Cb -0.15 -2.07 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 2x7s s TYR 88 CO 0.02 -0.42 0.40 1.03 -1.11 0.00 0.00 175.55 175.47 2x7s s ARG 89 N 1.21 4.20 0.06 -0.62 0.52 -0.06 -0.24 118.95 124.03 2x7s s ARG 89 Ca 0.03 0.33 -0.31 0.00 -0.52 0.00 0.00 55.73 55.26 2x7s s ARG 89 Cb -0.14 -3.38 -0.08 0.00 0.52 0.00 0.00 34.95 31.87 2x7s s ARG 89 CO -0.01 0.32 1.71 -1.17 0.02 0.00 0.00 175.30 176.17 2x7s s LEU 90 N 0.13 4.37 -0.08 2.53 2.96 -0.69 -1.24 118.68 126.67 2x7s s LEU 90 Ca 0.22 2.52 0.05 0.00 -0.22 0.00 0.00 54.13 56.71 2x7s s LEU 90 Cb -0.15 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 2x7s s LEU 90 CO 0.09 -0.92 -0.00 0.00 -1.32 0.00 0.00 176.35 174.20 2x7s n ILE 91 N 4.86 0.50 -3.54 6.68 3.06 -0.09 -4.44 119.36 126.39 2x7s n ILE 91 Ca 0.17 -0.28 -0.07 0.00 -2.50 0.00 0.00 62.75 60.06 2x7s n ILE 91 Cb 0.40 -0.81 -0.02 0.00 0.54 0.00 0.00 39.64 39.75 2x7s n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2x7s s GLN 92 N -2.18 0.81 0.13 9.51 1.03 -1.19 -1.53 119.66 126.25 2x7s s GLN 92 Ca -0.06 -0.32 0.05 0.00 0.04 0.00 0.00 55.36 55.07 2x7s s GLN 92 Cb 0.02 0.36 -0.04 0.00 0.03 0.00 0.00 33.01 33.38 2x7s s GLN 92 CO 0.28 -0.36 -0.13 -0.59 -2.54 0.00 0.00 175.29 171.95 2x7s s PHE 93 N -3.07 1.34 0.30 9.60 -0.12 -0.26 -0.57 117.98 125.19 2x7s s PHE 93 Ca 0.06 -0.62 -0.14 0.00 -0.05 0.00 0.00 56.93 56.19 2x7s s PHE 93 Cb -0.01 -0.69 0.01 0.00 -0.63 0.00 0.00 43.02 41.70 2x7s s PHE 93 CO -0.07 0.12 0.59 -3.38 -0.05 0.00 0.00 175.22 172.43 2x7s s HIS 94 N -2.51 0.30 0.24 3.49 -3.43 -0.85 -0.20 115.29 112.33 2x7s s HIS 94 Ca 0.11 -0.72 0.07 0.00 -0.80 0.00 0.00 55.06 53.72 2x7s s HIS 94 Cb -0.03 0.39 -0.05 0.00 -1.43 0.00 0.00 32.58 31.46 2x7s s HIS 94 CO 0.02 -1.18 -0.10 -0.06 -2.00 0.00 0.00 174.74 171.42 2x7s s PHE 95 N -3.52 1.83 -0.02 0.38 0.40 -1.26 -0.95 117.98 114.84 2x7s s PHE 95 Ca 0.20 -0.64 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 2x7s s PHE 95 Cb -0.03 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 2x7s s PHE 95 CO 0.11 0.31 -0.15 -1.01 0.70 0.00 0.00 175.22 175.18 2x7s s HIS 96 N -3.00 1.42 0.34 0.36 3.76 -0.59 -4.75 115.29 112.83 2x7s s HIS 96 Ca 0.26 -0.32 -0.09 0.00 -0.15 0.00 0.00 55.06 54.76 2x7s s HIS 96 Cb 0.01 -0.94 0.02 0.00 1.11 0.00 0.00 32.58 32.79 2x7s s HIS 96 CO 0.09 -0.07 0.58 1.67 -0.85 0.00 0.00 174.74 176.17 2x7s s TRP 97 N -0.20 0.58 0.50 1.40 -2.14 -1.19 -1.19 118.94 116.70 2x7s s TRP 97 Ca 0.03 -0.99 0.05 0.00 2.66 0.00 0.00 56.10 57.84 2x7s s TRP 97 Cb -0.08 0.29 -0.00 0.00 -3.10 0.00 0.00 33.47 30.58 2x7s s TRP 97 CO 0.00 -1.25 0.22 0.20 -2.66 0.00 0.00 176.95 173.46 2x7s s GLY 98 N -3.13 2.55 0.00 3.67 0.00 -1.19 -1.40 107.32 107.83 2x7s s GLY 98 Ca 0.23 -1.25 0.28 0.00 0.00 0.00 0.00 44.72 43.98 2x7s s GLY 98 CO 0.15 -2.01 1.81 -1.14 0.00 0.00 0.00 173.10 171.91 2x7s n SER 99 N -1.46 1.25 -3.59 1.64 3.41 -1.26 -4.30 113.62 109.30 2x7s n SER 99 Ca -0.07 -1.43 -0.11 0.00 -0.26 0.00 0.00 58.87 57.01 2x7s n SER 99 Cb 0.65 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 2x7s n SER 99 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2x7s s LEU 100 N -1.97 -0.18 0.50 1.04 2.34 -1.26 -5.05 118.68 114.11 2x7s s LEU 100 Ca 0.39 -0.25 0.21 0.00 0.06 0.00 0.00 54.13 54.54 2x7s s LEU 100 Cb 0.21 2.34 1.28 0.00 -0.56 0.00 0.00 46.19 49.46 2x7s s LEU 100 CO 0.33 -1.01 2.02 0.44 -1.06 0.00 0.00 176.35 177.07 2x7s h ASP 101 N 2.12 0.10 0.17 1.48 3.32 -1.91 -3.02 116.42 118.68 2x7s h ASP 101 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2x7s h ASP 101 Cb 1.28 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2x7s h ASP 101 CO 0.38 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 2x7s n GLY 102 N -1.59 -0.73 3.66 2.75 0.00 -1.26 -3.25 105.19 104.76 2x7s n GLY 102 Ca 0.08 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2x7s n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2x7s s GLN 103 N -2.29 1.62 0.00 1.61 -2.07 -1.14 -4.66 119.66 112.73 2x7s s GLN 103 Ca 0.22 -1.19 0.00 0.00 -1.82 0.00 0.00 55.36 52.57 2x7s s GLN 103 Cb 0.12 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 2x7s s GLN 103 CO 0.24 -0.70 0.00 0.41 -1.32 0.00 0.00 175.29 173.93 2x7s n GLY 104 N -0.41 1.09 3.81 2.60 0.00 -0.94 -3.17 105.19 108.18 2x7s n GLY 104 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2x7s n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x7s s SER 105 N 0.00 5.50 -0.14 1.61 1.04 -0.34 -3.14 113.70 118.22 2x7s s SER 105 Ca 0.00 1.67 -0.12 0.00 0.48 0.00 0.00 55.95 57.98 2x7s s SER 105 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 2x7s s SER 105 CO 0.00 -1.36 -0.24 -0.62 0.98 0.00 0.00 173.24 172.00 2x7s n GLU 106 N -2.82 0.43 -1.80 4.02 1.02 -1.26 -4.83 120.64 115.40 2x7s n GLU 106 Ca 0.08 0.33 -0.35 0.00 -0.02 0.00 0.00 57.16 57.20 2x7s n GLU 106 Cb 0.53 -1.44 0.05 0.00 -0.02 0.00 0.00 31.44 30.57 2x7s n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2x7s s HIS 107 N -2.41 2.31 0.09 -0.32 3.76 -1.26 -4.18 115.29 113.29 2x7s s HIS 107 Ca -0.20 1.54 0.04 0.00 -0.15 0.00 0.00 55.06 56.29 2x7s s HIS 107 Cb 0.03 -3.44 -0.03 0.00 1.11 0.00 0.00 32.58 30.24 2x7s s HIS 107 CO 0.29 -2.27 -0.10 0.95 -0.85 0.00 0.00 174.74 172.76 2x7s s THR 108 N -1.81 0.92 -0.24 1.30 -4.23 -1.19 -4.70 115.64 105.69 2x7s s THR 108 Ca 0.75 -1.59 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 2x7s s THR 108 Cb -0.29 -1.30 0.06 0.00 1.34 0.00 0.00 72.50 72.31 2x7s s THR 108 CO 0.38 -0.53 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.14 2x7s s VAL 109 N -2.33 1.90 -1.53 2.29 1.01 -0.98 0.66 120.40 121.42 2x7s s VAL 109 Ca 0.04 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 2x7s s VAL 109 Cb -0.04 -2.05 0.08 0.00 0.00 0.00 0.00 36.38 34.37 2x7s s VAL 109 CO 0.00 -0.01 0.80 0.47 0.00 0.00 0.00 175.10 176.36 2x7s n ASP 110 N 4.54 -3.14 0.00 3.32 8.00 0.01 -1.04 116.55 128.24 2x7s n ASP 110 Ca -0.14 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.48 2x7s n ASP 110 Cb 0.43 -3.47 0.00 0.00 -0.02 0.00 0.00 41.12 38.06 2x7s n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2x7s n LYS 111 N -4.50 0.00 -1.97 -1.24 4.01 -1.26 -5.00 118.16 108.19 2x7s n LYS 111 Ca -0.06 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.32 2x7s n LYS 111 Cb 0.56 -2.30 -0.03 0.00 -0.51 0.00 0.00 35.03 32.75 2x7s n LYS 111 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2x7s s LYS 112 N -0.05 4.21 -0.17 1.97 2.20 -0.20 -4.99 119.74 122.71 2x7s s LYS 112 Ca 0.00 2.28 -0.09 0.00 -0.36 0.00 0.00 55.97 57.79 2x7s s LYS 112 Cb 0.00 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 2x7s s LYS 112 CO 0.00 -0.69 0.15 0.15 -0.36 0.00 0.00 175.35 174.60 2x7s s LYS 113 N 2.43 3.94 0.42 4.03 1.02 -1.26 -2.33 119.74 127.98 2x7s s LYS 113 Ca 0.72 -0.15 0.04 0.00 0.02 0.00 0.00 55.97 56.60 2x7s s LYS 113 Cb -0.39 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.58 2x7s s LYS 113 CO 0.31 0.46 0.59 0.71 -0.92 0.00 0.00 175.35 176.51 2x7s s TYR 114 N -0.12 3.05 0.41 3.18 1.51 -1.26 -4.57 117.35 119.54 2x7s s TYR 114 Ca 0.11 -0.09 0.10 0.00 -1.01 0.00 0.00 57.07 56.18 2x7s s TYR 114 Cb -0.12 -2.28 0.85 0.00 -0.11 0.00 0.00 41.96 40.31 2x7s s TYR 114 CO 0.01 -0.32 1.97 0.00 -1.11 0.00 0.00 175.55 176.09 2x7s h ALA 115 N 0.57 1.60 -2.97 3.71 0.00 -1.29 -0.78 119.26 120.10 2x7s h ALA 115 Ca -0.44 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.33 2x7s h ALA 115 Cb 1.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2x7s h ALA 115 CO 0.52 0.30 0.17 0.00 0.00 0.00 0.00 179.25 180.24 2x7s s ALA 116 N -4.90 -0.85 -0.07 0.00 0.00 -1.09 -3.36 121.76 111.49 2x7s s ALA 116 Ca -0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 2x7s s ALA 116 Cb 0.16 0.85 0.04 0.00 0.00 0.00 0.00 23.12 24.17 2x7s s ALA 116 CO 0.72 -0.99 0.14 -2.00 0.00 0.00 0.00 175.76 173.64 2x7s s GLU 117 N -3.45 0.08 -0.10 0.00 2.12 -0.34 -1.57 118.70 115.44 2x7s s GLU 117 Ca 0.15 0.39 -0.15 0.00 0.36 0.00 0.00 54.97 55.72 2x7s s GLU 117 Cb -0.05 -0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.10 2x7s s GLU 117 CO 0.09 -0.19 0.38 -1.17 -0.54 0.00 0.00 175.26 173.84 2x7s s LEU 118 N 1.33 4.33 -0.22 2.70 2.96 0.11 -1.54 118.68 128.35 2x7s s LEU 118 Ca -0.07 0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 54.57 2x7s s LEU 118 Cb -0.12 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.06 2x7s s LEU 118 CO -0.06 0.15 -0.12 -1.00 -1.32 0.00 0.00 176.35 173.99 2x7s s HIS 119 N 0.00 2.95 -0.40 5.38 3.76 -0.13 -0.44 115.29 126.41 2x7s s HIS 119 Ca 0.22 -1.59 -0.15 0.00 -0.15 0.00 0.00 55.06 53.39 2x7s s HIS 119 Cb -0.15 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.57 2x7s s HIS 119 CO 0.09 -0.75 0.34 -0.51 -0.85 0.00 0.00 174.74 173.05 2x7s s LEU 120 N 1.31 4.94 -0.20 0.89 1.43 -0.06 -2.01 118.68 124.98 2x7s s LEU 120 Ca 0.02 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.20 2x7s s LEU 120 Cb -0.15 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2x7s s LEU 120 CO -0.08 -0.46 0.45 -0.69 0.23 0.00 0.00 176.35 175.80 2x7s s VAL 121 N 1.84 5.16 0.09 -1.59 1.01 0.26 -1.08 120.40 126.09 2x7s s VAL 121 Ca 0.08 0.81 0.07 0.00 0.00 0.00 0.00 61.98 62.94 2x7s s VAL 121 Cb -0.18 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2x7s s VAL 121 CO 0.11 0.22 -0.19 -1.00 0.00 0.00 0.00 175.10 174.24 2x7s s HIS 122 N 1.44 1.62 0.13 5.22 3.76 -0.34 -0.92 115.29 126.20 2x7s s HIS 122 Ca 0.21 -0.43 0.11 0.00 -0.15 0.00 0.00 55.06 54.80 2x7s s HIS 122 Cb -0.15 -0.89 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 2x7s s HIS 122 CO 0.09 0.16 -0.26 1.67 -0.85 0.00 0.00 174.74 175.55 2x7s s TRP 123 N -1.21 2.24 -0.14 1.40 1.48 -0.37 -0.92 118.94 121.42 2x7s s TRP 123 Ca 0.04 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.40 2x7s s TRP 123 Cb -0.10 -1.22 -0.03 0.00 -1.16 0.00 0.00 33.47 30.97 2x7s s TRP 123 CO 0.04 0.32 1.44 1.21 -4.06 0.00 0.00 176.95 175.89 2x7s s ASN 124 N -2.04 6.78 0.39 -2.66 3.84 0.06 -0.88 114.94 120.43 2x7s s ASN 124 Ca 0.13 1.85 0.28 0.00 0.21 0.00 0.00 52.86 55.33 2x7s s ASN 124 Cb -0.10 -2.54 1.26 0.00 -0.55 0.00 0.00 41.25 39.32 2x7s s ASN 124 CO 0.06 -0.89 1.84 0.71 -2.79 0.00 0.00 177.10 176.03 2x7s h THR 125 N 5.61 0.00 0.00 -5.21 1.35 -1.38 -2.64 112.91 110.64 2x7s h THR 125 Ca -0.32 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2x7s h THR 125 Cb 1.13 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2x7s h THR 125 CO 0.97 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.53 2x7s n LYS 126 N -2.55 0.51 0.00 4.72 2.85 -1.26 0.45 118.16 122.87 2x7s n LYS 126 Ca 0.01 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.35 2x7s n LYS 126 Cb 0.20 -1.37 0.05 0.00 -0.65 0.00 0.00 35.03 33.27 2x7s n LYS 126 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2x7s n TYR 127 N -0.87 0.00 0.00 5.58 4.01 -1.00 -5.00 117.16 119.88 2x7s n TYR 127 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2x7s n TYR 127 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2x7s n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x7s n GLY 128 N 0.99 1.14 3.14 2.72 0.00 0.17 -4.42 105.19 108.94 2x7s n GLY 128 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2x7s n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2x7s s ASP 129 N 0.00 0.16 0.23 1.61 -4.77 -1.26 -5.06 116.67 107.59 2x7s s ASP 129 Ca 0.00 -0.56 -0.07 0.00 -3.30 0.00 0.00 52.55 48.62 2x7s s ASP 129 Cb 0.00 0.26 0.40 0.00 -1.09 0.00 0.00 42.92 42.49 2x7s s ASP 129 CO 0.00 -0.57 1.67 0.15 0.70 0.00 0.00 175.17 177.12 2x7s h PHE 130 N 3.40 0.12 -0.62 2.11 3.57 -1.93 -0.53 116.94 123.06 2x7s h PHE 130 Ca -0.33 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.26 2x7s h PHE 130 Cb 1.19 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 2x7s h PHE 130 CO 0.51 -0.14 0.35 0.78 -2.23 0.00 0.00 178.31 177.58 2x7s h GLY 131 N 0.19 0.89 1.42 2.40 0.00 -1.97 -1.59 103.07 104.42 2x7s h GLY 131 Ca 0.38 -0.25 -0.16 0.00 0.00 0.00 0.00 47.33 47.30 2x7s h GLY 131 CO -0.54 0.17 -0.55 0.50 0.00 0.00 0.00 176.54 176.12 2x7s h LYS 132 N 0.66 0.61 -0.85 4.80 1.57 -1.68 -3.27 116.57 118.41 2x7s h LYS 132 Ca 0.27 -0.38 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2x7s h LYS 132 Cb 0.12 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 2x7s h LYS 132 CO -0.15 0.99 0.55 0.00 -0.57 0.00 0.00 179.45 180.28 2x7s h ALA 133 N 0.93 1.53 0.00 3.86 0.00 -0.29 -2.13 119.26 123.16 2x7s h ALA 133 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x7s h ALA 133 Cb 1.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2x7s h ALA 133 CO 0.11 0.36 0.00 1.33 0.00 0.00 0.00 179.25 181.05 2x7s n VAL 134 N -4.47 0.55 0.10 0.00 0.24 -0.68 -2.29 118.33 111.78 2x7s n VAL 134 Ca 0.12 0.14 0.09 0.00 -2.04 0.00 0.00 64.34 62.64 2x7s n VAL 134 Cb 0.16 -0.82 0.26 0.00 -1.47 0.00 0.00 33.84 31.97 2x7s n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x7s n GLN 135 N -1.37 2.53 -4.52 7.34 6.02 -0.80 -4.65 117.38 121.93 2x7s n GLN 135 Ca 0.07 -2.10 -0.24 0.00 -0.01 0.00 0.00 57.00 54.72 2x7s n GLN 135 Cb 0.18 -1.52 -0.14 0.00 1.02 0.00 0.00 30.24 29.78 2x7s n GLN 135 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2x7s s GLN 136 N -1.37 1.25 0.48 -1.09 -1.52 -0.97 -5.05 119.66 111.38 2x7s s GLN 136 Ca 0.39 -0.94 0.19 0.00 -1.95 0.00 0.00 55.36 53.05 2x7s s GLN 136 Cb 0.21 -1.36 1.20 0.00 -0.22 0.00 0.00 33.01 32.84 2x7s s GLN 136 CO 0.24 0.34 2.04 -1.00 -0.25 0.00 0.00 175.29 176.66 2x7s h PRO 137 N 4.75 0.00 -0.58 2.91 0.13 -1.84 -1.80 132.00 135.56 2x7s h PRO 137 Ca -0.42 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.45 2x7s h PRO 137 Cb 1.17 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.14 2x7s h PRO 137 CO 0.43 0.15 0.19 -0.40 -0.23 0.00 0.00 178.00 178.14 2x7s n ASP 138 N -4.09 3.38 -0.06 1.44 5.75 -1.26 -3.77 116.55 117.93 2x7s n ASP 138 Ca -0.02 -3.55 -0.09 0.00 -0.01 0.00 0.00 54.79 51.12 2x7s n ASP 138 Cb 0.23 -0.70 0.07 0.00 -1.03 0.00 0.00 41.12 39.68 2x7s n ASP 138 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2x7s h GLY 139 N 1.37 0.80 -3.38 6.12 0.00 -0.81 -3.42 103.07 103.75 2x7s h GLY 139 Ca 0.32 -0.76 -0.47 0.00 0.00 0.00 0.00 47.33 46.41 2x7s h GLY 139 CO 0.62 0.69 -0.77 1.08 0.00 0.00 0.00 176.54 178.16 2x7s s LEU 140 N -8.74 2.43 -0.14 3.11 1.43 0.83 -0.76 118.68 116.84 2x7s s LEU 140 Ca -0.09 -0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2x7s s LEU 140 Cb 0.12 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.67 2x7s s LEU 140 CO 0.84 -0.09 -0.07 0.00 0.23 0.00 0.00 176.35 177.27 2x7s s ALA 141 N -2.14 1.43 -0.19 4.21 0.00 -0.10 -0.55 121.76 124.41 2x7s s ALA 141 Ca 0.13 -0.70 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 2x7s s ALA 141 Cb -0.05 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 2x7s s ALA 141 CO 0.05 -0.58 -0.00 0.08 0.00 0.00 0.00 175.76 175.31 2x7s s VAL 142 N 1.66 4.00 -0.30 0.00 1.01 -1.07 -1.20 120.40 124.49 2x7s s VAL 142 Ca 0.03 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 2x7s s VAL 142 Cb -0.14 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 2x7s s VAL 142 CO -0.08 0.44 0.49 -0.22 0.00 0.00 0.00 175.10 175.73 2x7s s LEU 143 N 0.88 4.18 -0.14 3.92 2.96 -0.24 -1.39 118.68 128.85 2x7s s LEU 143 Ca 0.01 0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 54.08 2x7s s LEU 143 Cb -0.14 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2x7s s LEU 143 CO 0.02 -0.36 0.10 -0.83 -1.32 0.00 0.00 176.35 173.96 2x7s s GLY 144 N 1.66 2.05 -0.05 7.98 0.00 0.10 -0.88 107.32 118.18 2x7s s GLY 144 Ca 0.19 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 2x7s s GLY 144 CO 0.11 -0.24 0.02 -0.42 0.00 0.00 0.00 173.10 172.57 2x7s s ILE 145 N -0.53 0.20 0.59 0.90 1.01 0.41 -0.41 121.20 123.37 2x7s s ILE 145 Ca 0.12 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.81 2x7s s ILE 145 Cb -0.12 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 2x7s s ILE 145 CO 0.02 0.21 1.07 -0.36 0.00 0.00 0.00 174.94 175.88 2x7s s PHE 146 N 1.84 2.90 -0.14 3.97 0.08 -1.26 0.10 117.98 125.47 2x7s s PHE 146 Ca 0.02 1.53 0.01 0.00 0.12 0.00 0.00 56.93 58.61 2x7s s PHE 146 Cb -0.12 -3.06 0.02 0.00 -0.57 0.00 0.00 43.02 39.28 2x7s s PHE 146 CO -0.04 -1.22 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.17 2x7s s LEU 147 N -4.44 1.91 0.13 -0.37 1.02 -0.61 -0.44 118.68 115.88 2x7s s LEU 147 Ca 0.65 -0.54 0.06 0.00 0.02 0.00 0.00 54.13 54.32 2x7s s LEU 147 Cb -0.17 -1.30 -0.04 0.00 0.02 0.00 0.00 46.19 44.70 2x7s s LEU 147 CO 0.36 0.02 -0.02 -1.59 0.02 0.00 0.00 176.35 175.13 2x7s s LYS 148 N 1.11 2.38 -0.16 1.70 -2.85 -0.60 -1.65 119.74 119.68 2x7s s LYS 148 Ca -0.02 -1.00 -0.27 0.00 -1.00 0.00 0.00 55.97 53.68 2x7s s LYS 148 Cb -0.14 -2.40 -0.01 0.00 -2.06 0.00 0.00 37.83 33.21 2x7s s LYS 148 CO -0.06 0.50 0.92 0.08 0.10 0.00 0.00 175.35 176.89 2x7s s VAL 149 N -1.47 4.82 0.00 1.79 1.01 -1.26 -0.85 120.40 124.45 2x7s s VAL 149 Ca 0.25 1.83 0.00 0.00 0.00 0.00 0.00 61.98 64.06 2x7s s VAL 149 Cb -0.11 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2x7s s VAL 149 CO 0.17 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.87 2x7s n GLY 150 N 3.31 2.29 3.79 4.51 0.00 0.24 -4.87 105.19 114.46 2x7s n GLY 150 Ca 0.07 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 2x7s n GLY 150 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x7s s SER 151 N 2.00 5.06 0.56 1.61 0.01 -1.26 -3.93 113.70 117.74 2x7s s SER 151 Ca 0.00 1.77 -0.19 0.00 1.31 0.00 0.00 55.95 58.84 2x7s s SER 151 Cb 0.00 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 2x7s s SER 151 CO 0.00 -1.66 1.12 0.00 0.41 0.00 0.00 173.24 173.11 2x7s s ALA 152 N -2.83 2.68 -0.38 1.44 0.00 -1.26 -2.68 121.76 118.74 2x7s s ALA 152 Ca 0.61 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 53.24 2x7s s ALA 152 Cb -0.16 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.67 2x7s s ALA 152 CO 0.51 -0.80 0.19 0.21 0.00 0.00 0.00 175.76 175.87 2x7s s LYS 153 N -3.41 2.64 0.23 0.00 2.47 -1.22 -4.83 119.74 115.63 2x7s s LYS 153 Ca 0.71 -1.28 -0.07 0.00 -1.56 0.00 0.00 55.97 53.78 2x7s s LYS 153 Cb -0.23 -3.65 0.29 0.00 -1.46 0.00 0.00 37.83 32.79 2x7s s LYS 153 CO 0.29 -0.79 1.86 -1.35 0.16 0.00 0.00 175.35 175.51 2x7s h PRO 154 N 8.34 0.94 0.00 4.03 0.11 -1.91 -0.27 132.00 143.23 2x7s h PRO 154 Ca -0.23 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2x7s h PRO 154 Cb 1.09 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2x7s h PRO 154 CO 0.68 0.63 0.00 0.41 -0.21 0.00 0.00 178.00 179.50 2x7s n GLY 155 N -1.32 -0.70 0.09 -0.55 0.00 -1.26 -1.51 105.19 99.94 2x7s n GLY 155 Ca 0.11 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.22 2x7s n GLY 155 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2x7s n LEU 156 N -1.52 0.64 -0.30 0.99 7.94 -0.12 -4.64 117.00 120.00 2x7s n LEU 156 Ca 0.01 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 2x7s n LEU 156 Cb 0.07 -0.03 0.13 0.00 0.53 0.00 0.00 43.42 44.11 2x7s n LEU 156 CO 0.05 -0.12 1.18 -0.61 -1.11 0.00 0.00 177.39 176.78 2x7s h GLN 157 N 0.00 0.91 -0.72 1.96 5.75 -1.25 -0.84 115.11 120.92 2x7s h GLN 157 Ca -0.01 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 2x7s h GLN 157 Cb 1.04 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 29.34 2x7s h GLN 157 CO 0.00 0.60 0.44 -0.22 -2.65 0.00 0.00 178.83 177.00 2x7s h LYS 158 N 0.94 0.80 0.01 1.69 3.64 -1.82 -0.98 116.57 120.84 2x7s h LYS 158 Ca 0.36 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.71 2x7s h LYS 158 Cb 0.15 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2x7s h LYS 158 CO -0.17 0.53 -0.11 0.28 -2.27 0.00 0.00 179.45 177.71 2x7s h VAL 159 N 0.83 0.72 -0.20 2.00 2.07 -1.46 -2.68 116.25 117.52 2x7s h VAL 159 Ca 0.30 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.63 2x7s h VAL 159 Cb 0.09 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2x7s h VAL 159 CO -0.14 0.00 -0.61 -0.37 0.02 0.00 0.00 177.57 176.47 2x7s h VAL 160 N -0.20 1.29 -0.78 2.57 -1.51 -1.18 -3.05 116.25 113.40 2x7s h VAL 160 Ca 0.04 -1.82 0.04 0.00 -1.23 0.00 0.00 66.70 63.73 2x7s h VAL 160 Cb 0.24 1.87 -0.05 0.00 -2.13 0.00 0.00 31.29 31.23 2x7s h VAL 160 CO -0.11 0.58 0.51 0.44 -1.23 0.00 0.00 177.57 177.76 2x7s h ASP 161 N 0.50 0.80 1.17 4.19 3.32 -1.22 -1.74 116.42 123.45 2x7s h ASP 161 Ca -0.02 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2x7s h ASP 161 Cb 1.23 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2x7s h ASP 161 CO 0.13 0.54 0.00 1.62 -1.72 0.00 0.00 179.24 179.81 2x7s h VAL 162 N 0.92 0.00 -0.49 -1.35 3.04 -1.37 -3.32 116.25 113.68 2x7s h VAL 162 Ca 0.32 -0.48 0.03 0.00 -1.01 0.00 0.00 66.70 65.55 2x7s h VAL 162 Cb 0.10 1.39 -0.03 0.00 -2.01 0.00 0.00 31.29 30.74 2x7s h VAL 162 CO -0.10 0.00 0.32 -0.07 -1.01 0.00 0.00 177.57 176.72 2x7s h LEU 163 N 0.00 0.48 -1.74 3.16 3.38 -1.26 -1.19 115.31 118.14 2x7s h LEU 163 Ca 0.00 -0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.16 2x7s h LEU 163 Cb 0.58 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2x7s h LEU 163 CO 0.00 0.34 0.55 -0.78 0.09 0.00 0.00 178.44 178.64 2x7s h ASP 164 N 0.56 0.22 0.01 -0.43 1.82 -1.74 -1.32 116.42 115.54 2x7s h ASP 164 Ca 0.19 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 2x7s h ASP 164 Cb 0.08 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.06 2x7s h ASP 164 CO -0.05 0.10 -0.04 -1.54 -1.61 0.00 0.00 179.24 176.10 2x7s n SER 165 N -4.42 1.68 -2.52 2.28 3.41 -0.45 -4.07 113.62 109.53 2x7s n SER 165 Ca 0.16 -1.51 -0.09 0.00 -0.26 0.00 0.00 58.87 57.17 2x7s n SER 165 Cb 0.72 0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.73 2x7s n SER 165 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2x7s n ILE 166 N 0.25 1.76 -0.33 -1.33 -5.35 -0.51 -4.69 119.36 109.17 2x7s n ILE 166 Ca 0.17 -3.43 0.03 0.00 -0.27 0.00 0.00 62.75 59.25 2x7s n ILE 166 Cb 0.39 0.35 0.20 0.00 -1.74 0.00 0.00 39.64 38.85 2x7s n ILE 166 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2x7s h LYS 167 N 2.44 1.08 -6.15 6.28 3.64 -1.68 -3.42 116.57 118.76 2x7s h LYS 167 Ca 0.06 -0.07 -0.57 0.00 -1.27 0.00 0.00 60.65 58.80 2x7s h LYS 167 Cb 1.37 -0.24 -0.11 0.00 -0.41 0.00 0.00 32.23 32.84 2x7s h LYS 167 CO 0.41 0.72 -0.65 0.95 -2.27 0.00 0.00 179.45 178.60 2x7s s THR 168 N -5.97 3.02 0.04 1.00 -4.23 -1.26 0.21 115.64 108.44 2x7s s THR 168 Ca -0.12 -2.02 -0.36 0.00 -1.18 0.00 0.00 61.69 58.02 2x7s s THR 168 Cb 0.20 -2.73 -0.15 0.00 1.34 0.00 0.00 72.50 71.16 2x7s s THR 168 CO 0.81 -0.32 1.57 1.17 -0.54 0.00 0.00 174.62 177.31 2x7s n LYS 169 N -0.87 1.70 0.00 3.99 4.81 0.34 -2.14 118.16 125.98 2x7s n LYS 169 Ca -0.05 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2x7s n LYS 169 Cb 0.60 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.31 2x7s n LYS 169 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2x7s n GLY 170 N 3.40 1.36 3.75 3.14 0.00 0.24 -4.55 105.19 112.52 2x7s n GLY 170 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2x7s n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x7s s LYS 171 N -0.78 4.65 0.13 1.61 -0.14 -0.91 -4.84 119.74 119.46 2x7s s LYS 171 Ca 0.00 1.75 0.02 0.00 -1.36 0.00 0.00 55.97 56.38 2x7s s LYS 171 Cb 0.00 -3.23 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 2x7s s LYS 171 CO 0.00 0.20 -0.04 -1.54 -0.76 0.00 0.00 175.35 173.21 2x7s s SER 172 N -0.66 1.20 0.07 2.83 1.04 -1.26 -1.18 113.70 115.75 2x7s s SER 172 Ca 0.46 -1.07 -0.00 0.00 0.48 0.00 0.00 55.95 55.81 2x7s s SER 172 Cb -0.31 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 2x7s s SER 172 CO 0.38 -0.50 -0.02 0.00 0.98 0.00 0.00 173.24 174.08 2x7s s ALA 173 N -3.62 0.68 0.32 5.32 0.00 -0.77 -4.90 121.76 118.79 2x7s s ALA 173 Ca 0.17 -1.29 -0.28 0.00 0.00 0.00 0.00 51.96 50.56 2x7s s ALA 173 Cb 0.05 0.34 -0.09 0.00 0.00 0.00 0.00 23.12 23.42 2x7s s ALA 173 CO -0.01 -0.36 1.10 -0.51 0.00 0.00 0.00 175.76 175.98 2x7s s ASP 174 N -2.97 7.05 -0.33 0.00 1.01 -1.26 -1.65 116.67 118.52 2x7s s ASP 174 Ca 0.11 2.23 0.17 0.00 0.71 0.00 0.00 52.55 55.77 2x7s s ASP 174 Cb 0.07 -2.62 0.45 0.00 1.01 0.00 0.00 42.92 41.84 2x7s s ASP 174 CO -0.07 -0.29 1.02 0.33 0.21 0.00 0.00 175.17 176.37 2x7s n PHE 175 N 0.76 0.54 -1.78 4.23 7.35 0.41 -4.74 117.46 124.22 2x7s n PHE 175 Ca 0.01 -2.62 -0.32 0.00 -0.76 0.00 0.00 57.45 53.76 2x7s n PHE 175 Cb 0.46 -0.04 0.03 0.00 0.35 0.00 0.00 39.48 40.28 2x7s n PHE 175 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2x7s s THR 176 N -2.58 4.08 -1.40 -2.13 -4.23 -1.22 -3.70 115.64 104.46 2x7s s THR 176 Ca 0.26 0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 61.48 2x7s s THR 176 Cb 0.45 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.83 2x7s s THR 176 CO 0.02 -0.78 0.93 0.59 -0.54 0.00 0.00 174.62 174.83 2x7s n ASN 177 N -2.69 -6.18 -4.62 3.99 3.02 -1.26 -4.99 115.26 102.53 2x7s n ASN 177 Ca 0.08 -0.43 -0.36 0.00 -0.03 0.00 0.00 54.58 53.83 2x7s n ASN 177 Cb 0.53 -4.88 -0.10 0.00 -0.61 0.00 0.00 39.78 34.73 2x7s n ASN 177 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2x7s s PHE 178 N -3.25 3.26 -0.47 3.10 5.36 -1.26 -5.06 117.98 119.66 2x7s s PHE 178 Ca 0.46 0.11 -0.17 0.00 -0.96 0.00 0.00 56.93 56.38 2x7s s PHE 178 Cb -0.20 -2.26 0.06 0.00 -0.34 0.00 0.00 43.02 40.28 2x7s s PHE 178 CO 0.57 -0.01 0.47 0.34 -1.46 0.00 0.00 175.22 175.14 2x7s s ASP 179 N 1.14 6.18 0.00 6.13 -1.08 -1.26 -4.44 116.67 123.33 2x7s s ASP 179 Ca 0.07 -1.07 0.14 0.00 -0.52 0.00 0.00 52.55 51.17 2x7s s ASP 179 Cb -0.14 -2.22 0.61 0.00 -1.46 0.00 0.00 42.92 39.71 2x7s s ASP 179 CO 0.05 -0.71 1.45 -0.81 0.52 0.00 0.00 175.17 175.67 2x7s n PRO 180 N 5.57 0.01 0.24 4.34 -0.04 -1.26 -2.17 135.00 141.70 2x7s n PRO 180 Ca -0.10 0.25 0.16 0.00 -0.04 0.00 0.00 63.50 63.77 2x7s n PRO 180 Cb 0.45 -1.50 0.86 0.00 -0.04 0.00 0.00 33.50 33.27 2x7s n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x7s h ARG 181 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.88 114.38 114.20 2x7s h ARG 181 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x7s h ARG 181 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2x7s h ARG 181 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2x7s n GLY 182 N -1.38 -1.13 0.86 0.04 0.00 -0.92 -2.73 105.19 99.94 2x7s n GLY 182 Ca -0.00 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.00 2x7s n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x7s n LEU 183 N -1.24 2.65 -4.88 0.99 4.77 -0.71 -4.05 117.00 114.55 2x7s n LEU 183 Ca 0.14 -0.97 -0.34 0.00 -0.03 0.00 0.00 56.01 54.81 2x7s n LEU 183 Cb 0.20 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 2x7s n LEU 183 CO 0.20 0.49 0.03 -0.76 -1.33 0.00 0.00 177.39 176.01 2x7s s LEU 184 N -1.85 4.35 0.00 2.23 1.43 -1.10 -4.90 118.68 118.84 2x7s s LEU 184 Ca 0.33 0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 54.06 2x7s s LEU 184 Cb 0.21 -2.93 0.09 0.00 0.03 0.00 0.00 46.19 43.59 2x7s s LEU 184 CO 0.31 0.18 0.49 -0.81 0.23 0.00 0.00 176.35 176.75 2x7s n PRO 185 N 0.87 -0.62 0.29 1.29 -0.04 -1.26 -5.02 135.00 130.51 2x7s n PRO 185 Ca -0.08 -0.76 -0.13 0.00 -0.04 0.00 0.00 63.50 62.48 2x7s n PRO 185 Cb 0.52 -0.53 -0.06 0.00 -0.04 0.00 0.00 33.50 33.39 2x7s n PRO 185 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2x7s h GLU 186 N 0.00 -0.76 -6.79 0.54 4.81 -1.92 -3.45 114.58 107.01 2x7s h GLU 186 Ca -0.16 0.05 -0.48 0.00 -0.13 0.00 0.00 59.36 58.64 2x7s h GLU 186 Cb 0.45 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2x7s h GLU 186 CO 0.11 -0.48 0.25 0.45 -0.73 0.00 0.00 179.01 178.61 2x7s s SER 187 N -4.66 7.15 -0.13 1.04 0.15 -1.26 -4.97 113.70 111.02 2x7s s SER 187 Ca -0.13 1.63 0.15 0.00 0.70 0.00 0.00 55.95 58.31 2x7s s SER 187 Cb 0.01 -2.50 0.55 0.00 -1.71 0.00 0.00 66.02 62.37 2x7s s SER 187 CO 0.40 -0.08 1.46 0.18 1.20 0.00 0.00 173.24 176.39 2x7s n LEU 188 N 0.39 4.04 -4.64 3.45 4.77 -1.26 -4.73 117.00 119.01 2x7s n LEU 188 Ca 0.01 -2.66 -0.45 0.00 -0.03 0.00 0.00 56.01 52.88 2x7s n LEU 188 Cb 0.51 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2x7s n LEU 188 CO 0.43 0.71 0.87 0.47 -1.33 0.00 0.00 177.39 178.54 2x7s n ASP 189 N 0.17 2.26 -3.94 -1.43 8.00 -1.26 -4.63 116.55 115.72 2x7s n ASP 189 Ca 0.21 1.16 -0.08 0.00 0.71 0.00 0.00 54.79 56.78 2x7s n ASP 189 Cb 0.82 -1.37 -0.08 0.00 -0.02 0.00 0.00 41.12 40.46 2x7s n ASP 189 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2x7s s TYR 190 N -0.40 0.31 0.19 1.24 -0.85 -1.26 -1.03 117.35 115.55 2x7s s TYR 190 Ca 0.66 -0.76 0.06 0.00 -0.52 0.00 0.00 57.07 56.51 2x7s s TYR 190 Cb -0.68 -0.16 -0.04 0.00 0.38 0.00 0.00 41.96 41.45 2x7s s TYR 190 CO 0.54 -0.52 0.09 -1.58 -1.52 0.00 0.00 175.55 172.56 2x7s s TRP 191 N -3.90 3.01 -0.06 -3.49 0.51 0.59 -1.86 118.94 113.74 2x7s s TRP 191 Ca 0.08 -0.09 -0.09 0.00 -2.12 0.00 0.00 56.10 53.88 2x7s s TRP 191 Cb 0.06 -1.42 0.02 0.00 -0.81 0.00 0.00 33.47 31.31 2x7s s TRP 191 CO -0.09 0.53 0.23 -0.08 -0.51 0.00 0.00 176.95 177.03 2x7s s THR 192 N -1.86 0.02 -0.02 2.01 -1.32 0.04 -0.65 115.64 113.86 2x7s s THR 192 Ca 0.30 -0.20 -0.30 0.00 -1.21 0.00 0.00 61.69 60.28 2x7s s THR 192 Cb -0.09 -0.39 0.07 0.00 -1.51 0.00 0.00 72.50 70.58 2x7s s THR 192 CO 0.22 -0.11 0.68 -0.72 -2.21 0.00 0.00 174.62 172.47 2x7s s TYR 193 N -0.37 -0.64 0.08 9.09 1.13 -1.00 -1.18 117.35 124.46 2x7s s TYR 193 Ca -0.05 1.01 -0.31 0.00 -1.41 0.00 0.00 57.07 56.32 2x7s s TYR 193 Cb -0.03 0.43 -0.06 0.00 -1.10 0.00 0.00 41.96 41.20 2x7s s TYR 193 CO 0.01 -0.64 1.20 -1.25 -2.51 0.00 0.00 175.55 172.37 2x7s s PRO 194 N -1.53 4.44 0.00 -3.49 0.04 -1.26 -1.31 135.00 131.88 2x7s s PRO 194 Ca -0.09 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2x7s s PRO 194 Cb -0.00 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2x7s s PRO 194 CO 0.07 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.28 2x7s n GLY 195 N 3.11 4.81 3.31 0.56 0.00 0.99 -4.83 105.19 113.14 2x7s n GLY 195 Ca 0.08 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 2x7s n GLY 195 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x7s s SER 196 N 1.31 1.15 0.32 1.61 1.04 -1.13 -2.47 113.70 115.52 2x7s s SER 196 Ca 0.00 -1.44 -0.29 0.00 0.48 0.00 0.00 55.95 54.70 2x7s s SER 196 Cb 0.00 0.26 -0.11 0.00 0.10 0.00 0.00 66.02 66.27 2x7s s SER 196 CO 0.00 -0.79 1.55 0.18 0.98 0.00 0.00 173.24 175.15 2x7s n LEU 197 N -0.47 4.45 -0.51 2.42 4.77 -0.61 -4.48 117.00 122.57 2x7s n LEU 197 Ca 0.01 1.18 0.12 0.00 -0.03 0.00 0.00 56.01 57.28 2x7s n LEU 197 Cb 0.66 -1.60 0.45 0.00 -2.33 0.00 0.00 43.42 40.61 2x7s n LEU 197 CO 0.36 0.12 0.82 0.35 -1.33 0.00 0.00 177.39 177.71 2x7s n THR 198 N 1.52 0.11 -4.41 -5.08 -2.24 -1.26 -4.33 114.28 98.59 2x7s n THR 198 Ca 0.06 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.30 2x7s n THR 198 Cb 0.37 0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.92 2x7s n THR 198 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2x7s s THR 199 N -1.89 2.59 0.40 4.28 -4.23 -1.26 -4.70 115.64 110.83 2x7s s THR 199 Ca 0.35 -2.12 -0.25 0.00 -1.18 0.00 0.00 61.69 58.50 2x7s s THR 199 Cb 0.19 -2.66 -0.11 0.00 1.34 0.00 0.00 72.50 71.26 2x7s s THR 199 CO 0.30 -0.26 0.97 -2.65 -0.54 0.00 0.00 174.62 172.44 2x7s n PRO 200 N -0.84 1.29 -0.02 3.99 -0.02 -1.26 0.26 135.00 138.40 2x7s n PRO 200 Ca -0.05 0.46 0.02 0.00 -2.02 0.00 0.00 63.50 61.91 2x7s n PRO 200 Cb 0.62 -1.97 0.10 0.00 -0.02 0.00 0.00 33.50 32.23 2x7s n PRO 200 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2x7s n PRO 201 N 0.26 1.08 -1.83 0.52 -0.04 -1.26 -4.99 135.00 128.74 2x7s n PRO 201 Ca 0.10 -0.12 -0.21 0.00 -0.04 0.00 0.00 63.50 63.23 2x7s n PRO 201 Cb 0.38 -1.07 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 2x7s n PRO 201 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2x7s n LEU 202 N -0.44 -1.62 -4.74 1.53 4.77 0.14 -4.90 117.00 111.73 2x7s n LEU 202 Ca 0.03 0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.96 2x7s n LEU 202 Cb 0.04 -2.86 0.01 0.00 -2.33 0.00 0.00 43.42 38.28 2x7s n LEU 202 CO 0.02 -0.83 1.03 0.18 -1.33 0.00 0.00 177.39 176.46 2x7s n LEU 203 N -2.55 4.56 -3.84 2.23 4.77 -1.26 -4.34 117.00 116.57 2x7s n LEU 203 Ca -0.22 1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 56.50 2x7s n LEU 203 Cb 0.68 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 2x7s n LEU 203 CO 0.31 -0.21 1.91 -0.62 -1.33 0.00 0.00 177.39 177.45 2x7s n GLU 204 N 0.16 3.81 0.00 3.23 1.02 -1.26 -1.58 120.64 126.02 2x7s n GLU 204 Ca 0.04 -3.63 0.00 0.00 -0.02 0.00 0.00 57.16 53.55 2x7s n GLU 204 Cb 0.39 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 28.96 2x7s n GLU 204 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2x7s s VAL 206 N -0.60 3.54 -0.57 0.00 1.01 -1.03 -0.12 120.40 122.62 2x7s s VAL 206 Ca 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 2x7s s VAL 206 Cb 0.00 -2.52 0.07 0.00 0.00 0.00 0.00 36.38 33.93 2x7s s VAL 206 CO 0.00 0.52 0.78 -0.89 0.00 0.00 0.00 175.10 175.51 2x7s s THR 207 N 0.25 4.64 0.01 3.92 2.01 0.29 -0.00 115.64 126.76 2x7s s THR 207 Ca -0.05 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 2x7s s THR 207 Cb -0.15 -4.49 -0.04 0.00 0.01 0.00 0.00 72.50 67.84 2x7s s THR 207 CO 0.04 -1.10 1.11 0.26 -0.69 0.00 0.00 174.62 174.24 2x7s s TRP 208 N 3.22 3.49 -0.25 4.92 0.52 -0.43 -2.60 118.94 127.81 2x7s s TRP 208 Ca 0.18 1.45 0.01 0.00 0.02 0.00 0.00 56.10 57.77 2x7s s TRP 208 Cb -0.19 -3.30 0.06 0.00 -1.15 0.00 0.00 33.47 28.89 2x7s s TRP 208 CO 0.11 -0.77 -0.06 0.42 0.02 0.00 0.00 176.95 176.67 2x7s s ILE 209 N 1.25 1.71 -0.23 2.03 1.01 -0.48 -2.37 121.20 124.12 2x7s s ILE 209 Ca 0.55 -1.37 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 2x7s s ILE 209 Cb -0.25 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 2x7s s ILE 209 CO 0.27 -0.11 -0.02 -0.69 0.00 0.00 0.00 174.94 174.40 2x7s s VAL 210 N 1.30 3.60 0.32 2.92 1.01 0.18 0.02 120.40 129.76 2x7s s VAL 210 Ca -0.06 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 2x7s s VAL 210 Cb -0.19 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.44 2x7s s VAL 210 CO -0.06 0.40 1.11 -0.76 0.00 0.00 0.00 175.10 175.79 2x7s s LEU 211 N 1.50 4.42 0.11 3.92 1.43 0.45 -0.30 118.68 130.22 2x7s s LEU 211 Ca 0.06 2.27 -0.14 0.00 -1.03 0.00 0.00 54.13 55.29 2x7s s LEU 211 Cb -0.14 -3.78 -0.08 0.00 0.03 0.00 0.00 46.19 42.22 2x7s s LEU 211 CO -0.02 -0.31 1.43 0.50 0.23 0.00 0.00 176.35 178.19 2x7s h LYS 212 N 3.38 0.77 -5.70 1.70 3.64 -1.42 -3.43 116.57 115.51 2x7s h LYS 212 Ca -0.47 -0.41 -0.60 0.00 -1.27 0.00 0.00 60.65 57.90 2x7s h LYS 212 Cb 1.22 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.96 2x7s h LYS 212 CO 0.65 1.04 0.28 -2.00 -2.27 0.00 0.00 179.45 177.15 2x7s s GLU 213 N -4.35 4.19 0.63 1.90 2.12 -1.26 -5.03 118.70 116.90 2x7s s GLU 213 Ca -0.12 0.76 -0.13 0.00 0.36 0.00 0.00 54.97 55.85 2x7s s GLU 213 Cb 0.09 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 2x7s s GLU 213 CO 0.85 -0.38 1.04 -1.25 -0.54 0.00 0.00 175.26 174.97 2x7s s PRO 214 N 2.39 3.31 0.25 4.30 0.04 -1.26 -4.65 135.00 139.38 2x7s s PRO 214 Ca 0.31 0.96 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 2x7s s PRO 214 Cb -0.16 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 2x7s s PRO 214 CO 0.09 -0.80 0.63 0.96 0.04 0.00 0.00 177.00 177.93 2x7s s ILE 215 N -2.89 4.79 -0.18 0.56 -4.36 0.41 -4.86 121.20 114.68 2x7s s ILE 215 Ca 0.59 0.79 -0.20 0.00 -0.26 0.00 0.00 60.65 61.56 2x7s s ILE 215 Cb -0.13 -3.66 -0.03 0.00 1.25 0.00 0.00 42.46 39.89 2x7s s ILE 215 CO 0.47 -0.03 0.58 -0.44 0.24 0.00 0.00 174.94 175.76 2x7s s SER 216 N -2.15 6.66 0.17 4.36 0.01 -1.26 -1.55 113.70 119.94 2x7s s SER 216 Ca 0.48 0.80 0.10 0.00 1.31 0.00 0.00 55.95 58.64 2x7s s SER 216 Cb -0.12 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 2x7s s SER 216 CO 0.19 -0.20 -0.22 0.68 0.41 0.00 0.00 173.24 174.11 2x7s s VAL 217 N 1.59 2.09 0.57 3.43 -7.23 -0.03 -3.40 120.40 117.42 2x7s s VAL 217 Ca 0.27 -1.92 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 2x7s s VAL 217 Cb -0.16 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 2x7s s VAL 217 CO 0.11 -0.17 0.90 -0.94 -0.31 0.00 0.00 175.10 174.69 2x7s s SER 218 N -2.55 5.94 0.20 4.85 1.04 -1.17 0.82 113.70 122.84 2x7s s SER 218 Ca 0.17 0.96 -0.11 0.00 0.48 0.00 0.00 55.95 57.45 2x7s s SER 218 Cb -0.07 -2.07 0.15 0.00 0.10 0.00 0.00 66.02 64.13 2x7s s SER 218 CO 0.08 -0.87 1.87 -1.28 0.98 0.00 0.00 173.24 174.01 2x7s h SER 219 N -0.09 0.80 -0.75 7.02 0.87 -1.93 -1.47 113.55 117.99 2x7s h SER 219 Ca -0.46 -0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.21 2x7s h SER 219 Cb 1.22 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.94 2x7s h SER 219 CO 0.62 0.57 0.49 -0.33 -0.53 0.00 0.00 176.83 177.65 2x7s h GLU 220 N 0.94 0.50 0.03 2.24 5.08 -1.95 -0.98 114.58 120.45 2x7s h GLU 220 Ca 0.27 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2x7s h GLU 220 Cb -0.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2x7s h GLU 220 CO -0.07 0.33 -0.02 1.96 -1.00 0.00 0.00 179.01 180.22 2x7s h GLN 221 N 0.51 -0.04 -0.26 2.33 4.20 -1.67 -3.30 115.11 116.87 2x7s h GLN 221 Ca 0.36 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.00 2x7s h GLN 221 Cb 0.68 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 2x7s h GLN 221 CO -0.12 0.63 -0.14 -0.39 -0.67 0.00 0.00 178.83 178.13 2x7s h VAL 222 N -0.81 1.23 -0.89 -0.54 -1.51 -1.20 -2.72 116.25 109.81 2x7s h VAL 222 Ca -0.00 -1.01 0.15 0.00 -1.23 0.00 0.00 66.70 64.61 2x7s h VAL 222 Cb 0.69 1.18 -0.07 0.00 -2.13 0.00 0.00 31.29 30.96 2x7s h VAL 222 CO 0.01 0.33 0.57 -0.07 -1.23 0.00 0.00 177.57 177.18 2x7s h LEU 223 N 0.41 0.62 -1.11 4.19 4.07 -1.29 -0.90 115.31 121.30 2x7s h LEU 223 Ca 0.08 0.04 -0.06 0.00 0.08 0.00 0.00 57.88 58.02 2x7s h LEU 223 Cb 0.49 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 2x7s h LEU 223 CO 0.03 0.31 -0.05 0.11 -1.08 0.00 0.00 178.44 177.76 2x7s h LYS 224 N 0.66 0.57 -0.84 1.13 1.57 -1.56 -1.31 116.57 116.78 2x7s h LYS 224 Ca 0.45 -0.14 0.11 0.00 -1.87 0.00 0.00 60.65 59.20 2x7s h LYS 224 Cb 0.77 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.93 2x7s h LYS 224 CO -0.21 0.63 0.48 0.74 -0.57 0.00 0.00 179.45 180.52 2x7s h PHE 225 N 0.53 0.86 0.00 -1.35 -1.00 -1.23 -2.25 116.94 112.50 2x7s h PHE 225 Ca 0.11 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.92 2x7s h PHE 225 Cb 0.42 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 39.72 2x7s h PHE 225 CO 0.02 0.31 0.00 0.54 -1.61 0.00 0.00 178.31 177.57 2x7s n ARG 226 N -4.77 0.80 -0.08 1.51 1.74 -0.50 -2.83 116.66 112.54 2x7s n ARG 226 Ca 0.15 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.34 2x7s n ARG 226 Cb 0.32 -1.40 0.14 0.00 -1.02 0.00 0.00 32.46 30.50 2x7s n ARG 226 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2x7s n LYS 227 N -0.90 2.25 -1.94 5.56 5.02 -0.84 -4.59 118.16 122.71 2x7s n LYS 227 Ca 0.15 -2.00 -0.31 0.00 -2.02 0.00 0.00 58.31 54.13 2x7s n LYS 227 Cb 0.07 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 33.63 2x7s n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2x7s s LEU 228 N -1.68 3.28 -0.00 -0.35 1.43 -1.13 -4.92 118.68 115.32 2x7s s LEU 228 Ca 0.31 1.45 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 2x7s s LEU 228 Cb 0.20 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.91 2x7s s LEU 228 CO 0.29 -0.85 -0.17 0.20 0.23 0.00 0.00 176.35 176.04 2x7s s ASN 229 N -4.00 3.81 0.17 2.29 -0.87 0.13 0.29 114.94 116.76 2x7s s ASN 229 Ca 0.56 -0.34 -0.06 0.00 -1.57 0.00 0.00 52.86 51.45 2x7s s ASN 229 Cb -0.11 -0.68 0.03 0.00 -0.02 0.00 0.00 41.25 40.48 2x7s s ASN 229 CO 0.51 0.30 1.45 -0.26 -2.57 0.00 0.00 177.10 176.53 2x7s h PHE 230 N 4.96 0.81 -4.31 2.20 0.04 -0.45 -3.36 116.94 116.84 2x7s h PHE 230 Ca -0.47 -0.30 -0.48 0.00 2.80 0.00 0.00 57.97 59.52 2x7s h PHE 230 Cb 1.15 -0.15 0.11 0.00 2.20 0.00 0.00 35.95 39.26 2x7s h PHE 230 CO 0.50 1.07 0.34 0.54 -0.60 0.00 0.00 178.31 180.16 2x7s s ASN 231 N -6.95 4.42 0.55 2.17 4.22 -1.25 -4.32 114.94 113.78 2x7s s ASN 231 Ca -0.08 1.23 -0.07 0.00 -2.14 0.00 0.00 52.86 51.80 2x7s s ASN 231 Cb 0.11 -1.94 -0.02 0.00 1.28 0.00 0.00 41.25 40.67 2x7s s ASN 231 CO 0.86 -2.01 0.88 -0.83 -2.04 0.00 0.00 177.10 173.96 2x7s s GLY 232 N -3.97 1.56 0.04 0.45 0.00 -1.26 -0.51 107.32 103.63 2x7s s GLY 232 Ca 0.61 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 44.57 2x7s s GLY 232 CO 0.54 -0.23 1.78 1.85 0.00 0.00 0.00 173.10 177.03 2x7s s GLU 233 N -4.92 4.17 0.00 2.90 2.12 -1.26 -1.50 118.70 120.20 2x7s s GLU 233 Ca 0.51 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.27 2x7s s GLU 233 Cb -0.11 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.43 2x7s s GLU 233 CO 0.47 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.76 2x7s n GLY 234 N 4.23 0.78 3.86 -1.50 0.00 -1.26 -5.09 105.19 106.21 2x7s n GLY 234 Ca 0.18 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2x7s n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x7s s GLU 235 N -0.59 2.63 0.13 1.61 2.02 -0.56 -5.06 118.70 118.88 2x7s s GLU 235 Ca 0.00 -1.41 -0.33 0.00 0.02 0.00 0.00 54.97 53.25 2x7s s GLU 235 Cb 0.00 -2.43 -0.13 0.00 0.10 0.00 0.00 34.13 31.68 2x7s s GLU 235 CO 0.00 -0.04 1.67 -2.30 0.02 0.00 0.00 175.26 174.61 2x7s n PRO 236 N -1.45 2.34 -1.86 0.39 -0.02 -1.26 -4.83 135.00 128.31 2x7s n PRO 236 Ca 0.01 0.85 -0.43 0.00 -2.02 0.00 0.00 63.50 61.91 2x7s n PRO 236 Cb 0.61 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 2x7s n PRO 236 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2x7s s GLU 237 N 1.57 3.24 -0.30 -0.52 2.12 -1.26 -4.73 118.70 118.81 2x7s s GLU 237 Ca 0.80 1.62 -0.02 0.00 0.36 0.00 0.00 54.97 57.73 2x7s s GLU 237 Cb -0.63 -4.26 0.05 0.00 0.26 0.00 0.00 34.13 29.55 2x7s s GLU 237 CO 0.38 -1.97 0.01 -2.00 -0.54 0.00 0.00 175.26 171.14 2x7s s GLU 238 N 5.94 2.45 0.29 4.30 2.12 -1.26 -5.05 118.70 127.49 2x7s s GLU 238 Ca 0.87 -1.26 -0.29 0.00 0.36 0.00 0.00 54.97 54.65 2x7s s GLU 238 Cb -0.26 -3.20 -0.10 0.00 0.26 0.00 0.00 34.13 30.83 2x7s s GLU 238 CO 0.34 -0.62 1.35 -1.17 -0.54 0.00 0.00 175.26 174.62 2x7s s LEU 239 N 1.27 4.41 -0.92 2.70 2.96 -1.26 0.24 118.68 128.07 2x7s s LEU 239 Ca -0.05 2.65 -0.20 0.00 -0.22 0.00 0.00 54.13 56.31 2x7s s LEU 239 Cb -0.20 -3.64 0.12 0.00 0.50 0.00 0.00 46.19 42.97 2x7s s LEU 239 CO -0.01 -0.59 1.16 -0.32 -1.32 0.00 0.00 176.35 175.27 2x7s s MET 240 N -1.11 3.57 0.04 1.98 -2.45 0.14 -4.55 119.30 116.93 2x7s s MET 240 Ca 0.53 -1.61 -0.01 0.00 -1.25 0.00 0.00 55.69 53.35 2x7s s MET 240 Cb -0.40 -4.93 -0.03 0.00 1.25 0.00 0.00 34.83 30.71 2x7s s MET 240 CO 0.48 -1.83 -0.03 0.14 1.05 0.00 0.00 175.02 174.82 2x7s s VAL 241 N 3.09 0.21 -1.37 10.11 -7.23 -1.26 -4.53 120.40 119.41 2x7s s VAL 241 Ca 0.34 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 58.90 2x7s s VAL 241 Cb -0.05 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.72 2x7s s VAL 241 CO -0.08 -0.86 0.69 0.47 -0.31 0.00 0.00 175.10 175.01 2x7s n ASP 242 N 0.50 -1.63 -2.78 4.85 8.00 -0.49 -4.86 116.55 120.14 2x7s n ASP 242 Ca -0.17 -0.85 -0.33 0.00 0.71 0.00 0.00 54.79 54.15 2x7s n ASP 242 Cb 0.59 -3.81 -0.02 0.00 -0.02 0.00 0.00 41.12 37.87 2x7s n ASP 242 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2x7s n ASN 243 N -3.00 6.98 -4.22 -2.24 6.94 -1.03 -4.90 115.26 113.79 2x7s n ASN 243 Ca -0.24 -3.39 -0.24 0.00 -0.02 0.00 0.00 54.58 50.69 2x7s n ASN 243 Cb 0.65 -1.20 -0.14 0.00 -2.36 0.00 0.00 39.78 36.73 2x7s n ASN 243 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 2x7s s TRP 244 N -2.41 1.66 -0.01 -2.53 1.48 -1.26 -4.48 118.94 111.39 2x7s s TRP 244 Ca 0.55 -0.36 -0.20 0.00 -1.06 0.00 0.00 56.10 55.03 2x7s s TRP 244 Cb 0.36 -1.00 -0.05 0.00 -1.16 0.00 0.00 33.47 31.63 2x7s s TRP 244 CO -0.25 0.07 0.58 0.50 -4.06 0.00 0.00 176.95 173.79 2x7s s ARG 245 N -1.11 4.31 0.86 3.25 3.52 -1.26 -4.97 118.95 123.55 2x7s s ARG 245 Ca 0.06 0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 56.26 2x7s s ARG 245 Cb -0.08 -3.35 0.11 0.00 -1.56 0.00 0.00 34.95 30.07 2x7s s ARG 245 CO 0.01 0.35 1.15 -2.14 -0.81 0.00 0.00 175.30 173.87 2x7s s PRO 246 N -0.12 1.38 0.38 5.12 0.02 -1.26 -4.67 135.00 135.84 2x7s s PRO 246 Ca 0.31 1.55 -0.26 0.00 0.02 0.00 0.00 61.00 62.61 2x7s s PRO 246 Cb -0.18 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.46 2x7s s PRO 246 CO 0.17 -2.37 1.17 0.00 -0.33 0.00 0.00 177.00 175.64 2x7s n ALA 247 N -3.86 0.81 -2.64 -1.55 0.00 -1.26 -4.41 120.51 107.58 2x7s n ALA 247 Ca 0.12 0.30 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 2x7s n ALA 247 Cb 0.52 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.73 2x7s n ALA 247 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2x7s s GLN 248 N -1.97 2.53 0.26 0.00 -1.52 0.11 -4.92 119.66 114.15 2x7s s GLN 248 Ca 0.59 -1.34 -0.30 0.00 -1.95 0.00 0.00 55.36 52.37 2x7s s GLN 248 Cb -0.57 -2.30 -0.09 0.00 -0.22 0.00 0.00 33.01 29.82 2x7s s GLN 248 CO 0.59 0.28 1.30 -2.14 -0.25 0.00 0.00 175.29 175.07 2x7s s PRO 249 N -3.80 4.39 0.34 2.91 0.02 -1.26 -4.40 135.00 133.21 2x7s s PRO 249 Ca 0.34 2.11 0.13 0.00 0.02 0.00 0.00 61.00 63.60 2x7s s PRO 249 Cb -0.06 -3.14 0.61 0.00 0.02 0.00 0.00 34.50 31.93 2x7s s PRO 249 CO 0.23 -0.20 1.74 1.25 -0.33 0.00 0.00 177.00 179.69 2x7s h LEU 250 N 4.50 0.00 -1.86 -5.54 5.85 -1.93 -3.43 115.31 112.90 2x7s h LEU 250 Ca -0.46 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.71 2x7s h LEU 250 Cb 1.22 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.12 2x7s h LEU 250 CO 0.72 0.45 -0.91 0.29 -0.34 0.00 0.00 178.44 178.66 2x7s n LYS 251 N -3.87 -2.48 -3.22 1.25 5.02 -1.26 -2.41 118.16 111.19 2x7s n LYS 251 Ca -0.01 0.30 -0.15 0.00 -2.02 0.00 0.00 58.31 56.42 2x7s n LYS 251 Cb 0.49 -4.30 0.07 0.00 -0.02 0.00 0.00 35.03 31.28 2x7s n LYS 251 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2x7s n ASN 252 N -2.91 -2.59 -4.92 4.39 5.15 -1.26 -5.03 115.26 108.10 2x7s n ASN 252 Ca -0.27 -0.50 -0.27 0.00 -0.60 0.00 0.00 54.58 52.94 2x7s n ASN 252 Cb 0.66 -4.33 -0.04 0.00 -0.53 0.00 0.00 39.78 35.55 2x7s n ASN 252 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2x7s s ARG 253 N -5.28 3.34 -0.29 1.20 0.52 -1.01 -5.09 118.95 112.35 2x7s s ARG 253 Ca 0.07 -0.62 -0.12 0.00 -0.52 0.00 0.00 55.73 54.55 2x7s s ARG 253 Cb -0.03 -2.92 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 2x7s s ARG 253 CO 0.61 0.53 0.21 1.14 0.02 0.00 0.00 175.30 177.80 2x7s s GLN 254 N -3.11 3.87 -0.34 3.54 -2.07 -1.26 -5.04 119.66 115.26 2x7s s GLN 254 Ca 0.34 -0.36 -0.23 0.00 -1.82 0.00 0.00 55.36 53.29 2x7s s GLN 254 Cb -0.11 -3.69 0.00 0.00 -1.09 0.00 0.00 33.01 28.13 2x7s s GLN 254 CO 0.27 -0.24 0.76 0.42 -1.32 0.00 0.00 175.29 175.19 2x7s s ILE 255 N 1.77 4.78 -0.12 3.63 1.01 -1.26 -4.62 121.20 126.40 2x7s s ILE 255 Ca 0.07 0.95 -0.11 0.00 0.00 0.00 0.00 60.65 61.56 2x7s s ILE 255 Cb -0.16 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 2x7s s ILE 255 CO 0.11 -0.34 0.24 -0.54 0.00 0.00 0.00 174.94 174.41 2x7s s LYS 256 N 2.98 3.91 0.09 2.79 1.02 -0.32 -1.43 119.74 128.78 2x7s s LYS 256 Ca 0.30 0.04 0.04 0.00 0.02 0.00 0.00 55.97 56.37 2x7s s LYS 256 Cb -0.14 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2x7s s LYS 256 CO 0.15 0.52 0.06 0.00 -0.92 0.00 0.00 175.35 175.16 2x7s s ALA 257 N -0.35 3.49 -0.27 5.17 0.00 0.19 -0.78 121.76 129.20 2x7s s ALA 257 Ca 0.16 -1.07 0.13 0.00 0.00 0.00 0.00 51.96 51.18 2x7s s ALA 257 Cb -0.13 -1.36 0.76 0.00 0.00 0.00 0.00 23.12 22.39 2x7s s ALA 257 CO 0.05 0.71 1.74 -1.13 0.00 0.00 0.00 175.76 177.12 2x7s n SER 258 N 0.38 5.13 -3.55 0.00 3.41 -0.78 -0.53 113.62 117.69 2x7s n SER 258 Ca -0.09 -3.08 -0.14 0.00 -0.26 0.00 0.00 58.87 55.30 2x7s n SER 258 Cb 0.52 -0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 63.72 2x7s n SER 258 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2x7s s PHE 259 N -2.89 -0.50 -2.94 7.33 -0.71 -1.26 -4.85 117.98 112.16 2x7s s PHE 259 Ca 0.54 0.85 0.23 0.00 -1.04 0.00 0.00 56.93 57.51 2x7s s PHE 259 Cb 0.42 0.43 0.19 0.00 -1.21 0.00 0.00 43.02 42.85 2x7s s PHE 259 CO 0.14 -0.47 1.24 1.17 -1.34 0.00 0.00 175.22 175.96