#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rza s HIS 4 N 0.00 3.45 0.72 1.57 4.02 -1.26 -5.03 115.29 118.75 1rza s HIS 4 Ca 0.00 0.87 -0.15 0.00 1.02 0.00 0.00 55.06 56.81 1rza s HIS 4 Cb 0.00 -2.28 0.04 0.00 -1.02 0.00 0.00 32.58 29.32 1rza s HIS 4 CO 0.00 0.14 1.17 1.67 1.02 0.00 0.00 174.74 178.74 1rza s TRP 5 N -2.04 2.20 0.00 1.40 1.48 -1.26 -4.86 118.94 115.86 1rza s TRP 5 Ca 0.48 1.60 0.00 0.00 -1.06 0.00 0.00 56.10 57.12 1rza s TRP 5 Cb -0.11 -3.36 0.00 0.00 -1.16 0.00 0.00 33.47 28.84 1rza s TRP 5 CO 0.26 -2.33 0.00 0.41 -4.06 0.00 0.00 176.95 171.23 1rza n GLY 6 N 0.06 2.30 0.25 3.67 0.00 -0.47 -5.03 105.19 105.97 1rza n GLY 6 Ca 0.12 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1rza n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rza n TYR 7 N 0.00 0.00 -2.40 1.61 4.02 -1.26 -3.81 117.16 115.32 1rza n TYR 7 Ca 0.00 -0.93 -0.16 0.00 -0.01 0.00 0.00 57.90 56.79 1rza n TYR 7 Cb 0.00 -0.15 0.09 0.00 -0.02 0.00 0.00 39.34 39.26 1rza n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rza n GLY 8 N -1.15 0.45 0.26 2.72 0.00 -1.26 -4.74 105.19 101.47 1rza n GLY 8 Ca 0.14 -1.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 1rza n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1rza h LYS 9 N 0.00 0.54 -0.00 1.61 1.63 -1.97 -0.07 116.57 118.30 1rza h LYS 9 Ca -0.23 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1rza h LYS 9 Cb 0.83 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1rza h LYS 9 CO 0.24 0.65 -0.67 0.72 -3.45 0.00 0.00 179.45 176.94 1rza n HIS 10 N -4.20 0.00 -1.62 1.91 8.25 -1.26 -4.49 115.22 113.81 1rza n HIS 10 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1rza n HIS 10 Cb 0.32 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1rza n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1rza n ASN 11 N -1.36 0.08 -3.88 0.41 6.94 -1.15 -4.82 115.26 111.48 1rza n ASN 11 Ca 0.06 -1.69 -0.30 0.00 -0.02 0.00 0.00 54.58 52.62 1rza n ASN 11 Cb 0.34 -0.14 0.23 0.00 -2.36 0.00 0.00 39.78 37.86 1rza n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1rza s GLY 12 N -0.71 1.61 0.50 4.83 0.00 -0.05 -1.36 107.32 112.13 1rza s GLY 12 Ca 0.01 -0.97 0.28 0.00 0.00 0.00 0.00 44.72 44.04 1rza s GLY 12 CO 0.00 -0.10 1.86 -2.55 0.00 0.00 0.00 173.10 172.31 1rza h PRO 13 N -2.44 0.12 0.00 2.90 0.11 -1.84 0.21 132.00 131.06 1rza h PRO 13 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1rza h PRO 13 Cb 1.29 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1rza h PRO 13 CO 0.35 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.61 1rza n GLU 14 N -4.35 0.03 -0.00 1.05 -0.58 -1.26 -2.60 120.64 112.94 1rza n GLU 14 Ca 0.20 0.23 0.08 0.00 -0.42 0.00 0.00 57.16 57.24 1rza n GLU 14 Cb 0.92 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 30.19 1rza n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1rza n HIS 15 N -1.47 0.00 -0.06 -0.32 8.25 0.74 -4.62 115.22 117.75 1rza n HIS 15 Ca 0.04 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.62 1rza n HIS 15 Cb 0.17 -0.13 0.52 0.00 1.12 0.00 0.00 29.99 31.67 1rza n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1rza h TRP 16 N 0.00 0.38 -0.19 4.41 6.55 -1.47 -2.16 115.95 123.47 1rza h TRP 16 Ca 0.00 0.01 0.05 0.00 0.95 0.00 0.00 58.89 59.90 1rza h TRP 16 Cb 0.51 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.68 1rza h TRP 16 CO 0.00 0.18 0.18 1.12 -1.05 0.00 0.00 178.44 178.87 1rza h HIS 17 N 0.36 0.00 -0.38 0.49 2.07 -1.79 0.16 115.15 116.07 1rza h HIS 17 Ca 0.26 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.69 1rza h HIS 17 Cb 0.54 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.50 1rza h HIS 17 CO -0.00 0.00 -0.13 0.87 -3.07 0.00 0.00 177.93 175.60 1rza h LYS 18 N 0.00 0.67 0.00 5.12 1.57 -1.74 -2.84 116.57 119.36 1rza h LYS 18 Ca 0.09 -0.22 -0.22 0.00 -1.87 0.00 0.00 60.65 58.43 1rza h LYS 18 Cb 0.45 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1rza h LYS 18 CO -0.00 0.78 -2.02 -0.25 -0.57 0.00 0.00 179.45 177.39 1rza n ASP 19 N -4.17 0.25 -3.64 0.86 8.00 -0.89 -4.74 116.55 112.23 1rza n ASP 19 Ca 0.01 0.11 -0.28 0.00 0.71 0.00 0.00 54.79 55.34 1rza n ASP 19 Cb 0.36 0.99 -0.12 0.00 -0.02 0.00 0.00 41.12 42.34 1rza n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rza s PHE 20 N -2.86 2.10 0.60 1.24 0.08 0.52 -4.98 117.98 114.67 1rza s PHE 20 Ca -0.07 -2.64 0.29 0.00 0.12 0.00 0.00 56.93 54.62 1rza s PHE 20 Cb 0.09 -1.75 1.55 0.00 -0.57 0.00 0.00 43.02 42.34 1rza s PHE 20 CO 0.85 -0.73 1.96 -1.35 -0.10 0.00 0.00 175.22 175.84 1rza h PRO 21 N 5.93 0.00 0.00 0.24 0.11 -1.74 0.19 132.00 136.73 1rza h PRO 21 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1rza h PRO 21 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1rza h PRO 21 CO 0.51 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.81 1rza n ILE 22 N -3.63 1.35 0.14 4.15 3.06 -1.26 -1.60 119.36 121.57 1rza n ILE 22 Ca 0.05 0.44 0.19 0.00 -2.50 0.00 0.00 62.75 60.93 1rza n ILE 22 Cb 0.54 -1.37 0.78 0.00 0.54 0.00 0.00 39.64 40.12 1rza n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1rza h ALA 23 N 2.17 2.01 -0.54 1.51 0.00 -1.27 0.13 119.26 123.27 1rza h ALA 23 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1rza h ALA 23 Cb 0.12 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.79 1rza h ALA 23 CO 0.00 -0.48 0.14 1.63 0.00 0.00 0.00 179.25 180.54 1rza n LYS 24 N -3.82 2.29 -0.90 0.00 5.02 -0.63 -4.97 118.16 115.15 1rza n LYS 24 Ca 0.05 -3.09 -0.30 0.00 -2.02 0.00 0.00 58.31 52.95 1rza n LYS 24 Cb 0.48 -1.95 0.25 0.00 -0.02 0.00 0.00 35.03 33.79 1rza n LYS 24 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1rza s GLY 25 N -2.00 1.54 0.11 0.72 0.00 0.45 -4.98 107.32 103.16 1rza s GLY 25 Ca 0.48 -0.90 0.25 0.00 0.00 0.00 0.00 44.72 44.56 1rza s GLY 25 CO 0.05 0.01 1.49 1.18 0.00 0.00 0.00 173.10 175.83 1rza n GLU 26 N -4.97 0.22 -2.76 2.90 -0.58 -1.26 -4.31 120.64 109.88 1rza n GLU 26 Ca 0.13 0.10 -0.14 0.00 -0.42 0.00 0.00 57.16 56.82 1rza n GLU 26 Cb 0.59 -1.67 0.01 0.00 -0.57 0.00 0.00 31.44 29.80 1rza n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1rza n ARG 27 N -2.01 1.51 -3.14 3.49 1.85 -1.26 -4.60 116.66 112.50 1rza n ARG 27 Ca 0.04 -3.52 -0.32 0.00 -1.00 0.00 0.00 57.85 53.05 1rza n ARG 27 Cb 0.41 -1.52 -0.06 0.00 -1.05 0.00 0.00 32.46 30.25 1rza n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1rza s GLN 28 N -3.05 4.00 0.26 2.89 -1.52 -1.26 -2.67 119.66 118.31 1rza s GLN 28 Ca 0.33 0.66 0.09 0.00 -1.95 0.00 0.00 55.36 54.50 1rza s GLN 28 Cb 0.42 -2.43 -0.05 0.00 -0.22 0.00 0.00 33.01 30.73 1rza s GLN 28 CO -0.02 0.16 -0.14 -1.12 -0.25 0.00 0.00 175.29 173.92 1rza s SER 29 N -2.28 3.03 0.99 5.90 0.01 -1.26 -4.68 113.70 115.42 1rza s SER 29 Ca 0.54 -1.08 -0.17 0.00 1.31 0.00 0.00 55.95 56.55 1rza s SER 29 Cb -0.10 -0.21 0.22 0.00 0.21 0.00 0.00 66.02 66.14 1rza s SER 29 CO 0.17 -0.15 1.35 -2.16 0.41 0.00 0.00 173.24 172.86 1rza s PRO 30 N -3.62 0.37 0.18 12.44 0.04 -1.26 -4.65 135.00 138.49 1rza s PRO 30 Ca 0.27 -0.50 0.01 0.00 0.04 0.00 0.00 61.00 60.83 1rza s PRO 30 Cb -0.01 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 1rza s PRO 30 CO 0.11 -2.58 0.02 0.14 0.04 0.00 0.00 177.00 174.73 1rza s VAL 31 N -3.94 0.61 0.06 -0.36 -7.23 -1.26 0.09 120.40 108.37 1rza s VAL 31 Ca 0.76 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 58.73 1rza s VAL 31 Cb -0.03 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.70 1rza s VAL 31 CO 0.54 -0.43 0.69 -0.62 -0.31 0.00 0.00 175.10 174.96 1rza s ASP 32 N -3.17 7.16 -0.44 4.85 2.15 -1.26 -3.26 116.67 122.69 1rza s ASP 32 Ca 0.25 1.38 -0.16 0.00 0.43 0.00 0.00 52.55 54.46 1rza s ASP 32 Cb 0.06 -2.43 0.05 0.00 -0.30 0.00 0.00 42.92 40.30 1rza s ASP 32 CO 0.05 0.12 0.36 -0.63 -0.17 0.00 0.00 175.17 174.90 1rza s ILE 33 N -0.46 5.23 -0.46 4.11 1.01 0.66 -4.94 121.20 126.35 1rza s ILE 33 Ca 0.34 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 1rza s ILE 33 Cb -0.20 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.25 1rza s ILE 33 CO 0.21 -0.46 0.82 -0.62 0.00 0.00 0.00 174.94 174.90 1rza s ASP 34 N 2.16 6.43 0.50 3.58 2.15 -1.26 0.67 116.67 130.89 1rza s ASP 34 Ca 0.05 -0.07 0.28 0.00 0.43 0.00 0.00 52.55 53.25 1rza s ASP 34 Cb -0.21 -2.40 1.22 0.00 -0.30 0.00 0.00 42.92 41.23 1rza s ASP 34 CO 0.09 -0.96 1.95 0.71 -0.17 0.00 0.00 175.17 176.78 1rza h THR 35 N 6.01 0.40 0.00 1.71 1.35 -1.95 -2.30 112.91 118.13 1rza h THR 35 Ca -0.25 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1rza h THR 35 Cb 1.08 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1rza h THR 35 CO 0.98 0.13 -0.45 0.45 -0.25 0.00 0.00 175.52 176.39 1rza h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.33 115.15 118.38 1rza h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1rza h HIS 36 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1rza h HIS 36 CO 0.00 0.00 -1.33 2.41 0.86 0.00 0.00 177.93 179.87 1rza n THR 37 N -2.29 0.00 -1.98 2.45 -1.04 -0.98 -4.95 114.28 105.49 1rza n THR 37 Ca 0.04 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.37 1rza n THR 37 Cb 0.46 0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 69.44 1rza n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rza s ALA 38 N -2.87 3.57 -0.25 2.41 0.00 -0.90 -4.81 121.76 118.91 1rza s ALA 38 Ca -0.01 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.23 1rza s ALA 38 Cb 0.11 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1rza s ALA 38 CO 0.67 -0.81 0.20 0.21 0.00 0.00 0.00 175.76 176.03 1rza s LYS 39 N -1.48 4.04 0.16 0.00 2.36 -0.60 -4.83 119.74 119.39 1rza s LYS 39 Ca 0.53 -0.22 -0.31 0.00 -2.55 0.00 0.00 55.97 53.42 1rza s LYS 39 Cb -0.43 -3.58 -0.10 0.00 -1.05 0.00 0.00 37.83 32.68 1rza s LYS 39 CO 0.54 -0.04 1.52 -0.47 1.55 0.00 0.00 175.35 178.45 1rza s TYR 40 N 1.34 3.10 -0.27 4.03 5.04 -1.26 -0.08 117.35 129.26 1rza s TYR 40 Ca 0.09 0.71 0.02 0.00 -2.44 0.00 0.00 57.07 55.45 1rza s TYR 40 Cb -0.14 -3.87 0.07 0.00 0.35 0.00 0.00 41.96 38.36 1rza s TYR 40 CO 0.07 -3.17 -0.05 0.34 -1.34 0.00 0.00 175.55 171.40 1rza s ASP 41 N 1.11 4.25 0.00 4.32 -1.08 -0.43 -4.87 116.67 119.97 1rza s ASP 41 Ca 0.68 -1.45 0.17 0.00 -0.52 0.00 0.00 52.55 51.44 1rza s ASP 41 Cb -0.42 -1.39 0.77 0.00 -1.46 0.00 0.00 42.92 40.42 1rza s ASP 41 CO 0.31 -0.25 1.53 -0.81 0.52 0.00 0.00 175.17 176.48 1rza n PRO 42 N 4.51 0.07 0.02 4.34 -0.04 -1.26 -2.12 135.00 140.52 1rza n PRO 42 Ca -0.10 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1rza n PRO 42 Cb 0.43 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.69 1rza n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1rza n SER 43 N -1.44 0.47 -4.74 3.54 3.41 -1.26 -4.85 113.62 108.75 1rza n SER 43 Ca 0.05 -0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.25 1rza n SER 43 Cb 0.18 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.15 1rza n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rza s LEU 44 N -3.35 4.52 0.52 1.04 1.43 -0.90 -5.04 118.68 116.90 1rza s LEU 44 Ca 0.10 2.08 -0.03 0.00 -1.03 0.00 0.00 54.13 55.25 1rza s LEU 44 Cb 0.17 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.78 1rza s LEU 44 CO 0.67 -0.16 0.78 -0.54 0.23 0.00 0.00 176.35 177.34 1rza s LYS 45 N -0.58 3.04 0.58 1.70 1.02 -1.22 -4.98 119.74 119.29 1rza s LYS 45 Ca 0.48 -0.21 -0.19 0.00 0.02 0.00 0.00 55.97 56.07 1rza s LYS 45 Cb -0.29 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 1rza s LYS 45 CO 0.35 -0.46 1.18 -2.14 -0.92 0.00 0.00 175.35 173.36 1rza s PRO 46 N -4.77 3.11 0.64 -1.68 0.02 -1.26 -2.79 135.00 128.27 1rza s PRO 46 Ca 0.51 1.75 -0.14 0.00 0.02 0.00 0.00 61.00 63.14 1rza s PRO 46 Cb -0.10 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 1rza s PRO 46 CO 0.42 -1.08 1.06 -0.51 -0.33 0.00 0.00 177.00 176.56 1rza s LEU 47 N -3.97 3.34 -0.23 -5.54 1.43 -1.26 -1.64 118.68 110.81 1rza s LEU 47 Ca 0.76 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 55.59 1rza s LEU 47 Cb -0.28 -4.52 0.06 0.00 0.03 0.00 0.00 46.19 41.48 1rza s LEU 47 CO 0.31 -1.30 -0.02 -0.55 0.23 0.00 0.00 176.35 175.02 1rza s SER 48 N -3.19 3.59 -0.37 2.29 0.15 -0.19 -4.85 113.70 111.13 1rza s SER 48 Ca 0.61 -1.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.05 1rza s SER 48 Cb -0.15 -0.99 0.03 0.00 -1.71 0.00 0.00 66.02 63.19 1rza s SER 48 CO 0.44 -0.27 0.20 -0.69 1.20 0.00 0.00 173.24 174.13 1rza s VAL 49 N 1.54 4.52 -0.48 4.45 1.01 -1.26 -1.03 120.40 129.15 1rza s VAL 49 Ca -0.03 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1rza s VAL 49 Cb -0.18 -3.53 0.13 0.00 0.00 0.00 0.00 36.38 32.80 1rza s VAL 49 CO -0.08 -0.23 0.24 -0.44 0.00 0.00 0.00 175.10 174.60 1rza s SER 50 N 1.54 4.85 -0.04 3.32 0.01 0.04 -4.90 113.70 118.51 1rza s SER 50 Ca 0.02 -2.57 0.09 0.00 1.31 0.00 0.00 55.95 54.80 1rza s SER 50 Cb -0.19 -1.73 0.23 0.00 0.21 0.00 0.00 66.02 64.54 1rza s SER 50 CO 0.06 -0.37 1.17 -1.22 0.41 0.00 0.00 173.24 173.30 1rza n TYR 51 N 3.78 0.31 0.25 2.43 4.01 -1.26 -1.40 117.16 125.27 1rza n TYR 51 Ca 0.04 -0.62 0.12 0.00 -0.16 0.00 0.00 57.90 57.28 1rza n TYR 51 Cb 0.38 -0.09 0.65 0.00 -0.31 0.00 0.00 39.34 39.96 1rza n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1rza h ASP 52 N 1.00 0.00 -0.61 7.72 2.03 -1.91 -2.56 116.42 122.09 1rza h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1rza h ASP 52 Cb 0.79 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1rza h ASP 52 CO 0.03 0.15 0.00 0.00 -1.03 0.00 0.00 179.24 178.39 1rza n GLN 53 N -3.51 2.98 -1.60 4.15 1.13 -1.25 -5.02 117.38 114.27 1rza n GLN 53 Ca -0.01 -2.58 -0.47 0.00 -1.94 0.00 0.00 57.00 52.00 1rza n GLN 53 Cb 0.30 -1.58 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 1rza n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rza n ALA 54 N 1.21 -0.28 -3.99 -1.58 0.00 -0.97 -4.64 120.51 110.27 1rza n ALA 54 Ca 0.22 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.78 1rza n ALA 54 Cb 0.64 -2.07 -0.15 0.00 0.00 0.00 0.00 19.45 17.87 1rza n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rza s THR 55 N -0.46 2.00 0.47 0.00 2.01 -1.26 -4.93 115.64 113.46 1rza s THR 55 Ca 0.67 -1.89 -0.14 0.00 0.31 0.00 0.00 61.69 60.65 1rza s THR 55 Cb -0.77 -2.34 -0.07 0.00 0.01 0.00 0.00 72.50 69.33 1rza s THR 55 CO 0.54 -0.38 0.89 -0.94 -0.69 0.00 0.00 174.62 174.04 1rza s SER 56 N 1.10 6.56 0.00 3.53 1.04 -1.26 -0.88 113.70 123.79 1rza s SER 56 Ca 0.03 1.36 0.00 0.00 0.48 0.00 0.00 55.95 57.82 1rza s SER 56 Cb -0.19 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1rza s SER 56 CO -0.09 -0.51 0.00 0.18 0.98 0.00 0.00 173.24 173.80 1rza n LEU 57 N -1.50 1.98 -3.44 2.42 4.77 0.47 -4.09 117.00 117.61 1rza n LEU 57 Ca 0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1rza n LEU 57 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1rza n LEU 57 CO 0.47 0.33 0.44 -0.60 -1.33 0.00 0.00 177.39 176.70 1rza s ARG 58 N -1.71 1.24 -0.03 3.23 3.52 -1.21 -1.46 118.95 122.54 1rza s ARG 58 Ca 0.00 -0.46 0.05 0.00 -0.13 0.00 0.00 55.73 55.19 1rza s ARG 58 Cb 0.00 0.57 -0.01 0.00 -1.56 0.00 0.00 34.95 33.94 1rza s ARG 58 CO 0.00 -0.54 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.26 1rza s ILE 59 N -3.68 1.52 0.00 4.11 2.07 0.50 -0.64 121.20 125.09 1rza s ILE 59 Ca 0.02 -0.80 0.01 0.00 -1.41 0.00 0.00 60.65 58.46 1rza s ILE 59 Cb -0.01 -1.28 -0.00 0.00 0.13 0.00 0.00 42.46 41.29 1rza s ILE 59 CO -0.12 0.43 -0.03 -0.22 -1.91 0.00 0.00 174.94 173.10 1rza s LEU 60 N -0.28 2.02 -0.38 8.50 2.96 -0.40 -1.20 118.68 129.90 1rza s LEU 60 Ca 0.03 -0.07 -0.18 0.00 -0.22 0.00 0.00 54.13 53.69 1rza s LEU 60 Cb -0.09 -0.11 0.00 0.00 0.50 0.00 0.00 46.19 46.49 1rza s LEU 60 CO 0.00 0.01 0.50 0.21 -1.32 0.00 0.00 176.35 175.75 1rza s ASN 61 N -0.15 6.28 -0.03 3.68 3.84 -0.09 -1.03 114.94 127.43 1rza s ASN 61 Ca -0.00 -0.23 0.20 0.00 0.21 0.00 0.00 52.86 53.05 1rza s ASN 61 Cb -0.01 -2.26 0.63 0.00 -0.55 0.00 0.00 41.25 39.06 1rza s ASN 61 CO -0.00 -0.53 1.53 -0.46 -2.79 0.00 0.00 177.10 174.85 1rza n ASN 62 N 5.75 4.05 0.00 -4.21 0.23 -0.71 -0.72 115.26 119.66 1rza n ASN 62 Ca -0.05 -2.12 0.00 0.00 -0.53 0.00 0.00 54.58 51.88 1rza n ASN 62 Cb 0.48 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1rza n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rza n GLY 63 N 1.39 1.96 0.00 4.83 0.00 -1.26 -4.79 105.19 107.31 1rza n GLY 63 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1rza n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rza n HIS 64 N -2.00 0.00 -3.26 1.61 8.25 -1.26 -4.68 115.22 113.88 1rza n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1rza n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1rza n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rza n ALA 65 N -1.11 0.00 -2.83 -1.41 0.00 -1.26 -4.88 120.51 109.01 1rza n ALA 65 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1rza n ALA 65 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1rza n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1rza s PHE 66 N -5.74 2.42 -0.07 0.00 -0.12 -1.26 -1.73 117.98 111.48 1rza s PHE 66 Ca 0.00 -0.77 0.00 0.00 -0.05 0.00 0.00 56.93 56.11 1rza s PHE 66 Cb 0.00 -1.60 -0.03 0.00 -0.63 0.00 0.00 43.02 40.76 1rza s PHE 66 CO 0.00 -0.25 -0.05 -0.80 -0.05 0.00 0.00 175.22 174.07 1rza s ASN 67 N -0.07 4.77 -0.23 1.98 0.02 -0.20 -4.24 114.94 116.98 1rza s ASN 67 Ca -0.06 0.01 -0.10 0.00 -1.02 0.00 0.00 52.86 51.69 1rza s ASN 67 Cb -0.14 -1.25 -0.05 0.00 0.02 0.00 0.00 41.25 39.82 1rza s ASN 67 CO 0.05 0.36 0.14 -0.69 0.02 0.00 0.00 177.10 176.98 1rza s VAL 68 N -0.78 5.31 0.09 1.60 1.01 -0.05 -1.27 120.40 126.31 1rza s VAL 68 Ca 0.12 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.29 1rza s VAL 68 Cb -0.11 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1rza s VAL 68 CO 0.02 0.38 0.08 -1.61 0.00 0.00 0.00 175.10 173.96 1rza s GLU 69 N 0.86 2.85 0.23 2.72 2.02 0.19 -2.03 118.70 125.53 1rza s GLU 69 Ca 0.07 -0.73 0.10 0.00 0.02 0.00 0.00 54.97 54.44 1rza s GLU 69 Cb -0.13 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.36 1rza s GLU 69 CO 0.03 0.55 -0.19 -0.06 0.02 0.00 0.00 175.26 175.60 1rza s PHE 70 N -1.43 2.10 -0.24 1.61 0.40 -0.23 -0.39 117.98 119.80 1rza s PHE 70 Ca 0.29 -0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 1rza s PHE 70 Cb -0.12 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.45 1rza s PHE 70 CO 0.22 0.54 1.17 0.34 0.70 0.00 0.00 175.22 178.19 1rza s ASP 71 N -3.17 6.94 -0.21 1.36 2.15 -0.06 -4.84 116.67 118.85 1rza s ASP 71 Ca 0.24 1.39 0.14 0.00 0.43 0.00 0.00 52.55 54.75 1rza s ASP 71 Cb -0.05 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.49 1rza s ASP 71 CO 0.11 -0.82 1.36 -0.90 -0.17 0.00 0.00 175.17 174.75 1rza n ASP 72 N 6.77 2.94 0.00 -0.34 5.75 -1.26 -4.65 116.55 125.75 1rza n ASP 72 Ca 0.13 -3.34 0.13 0.00 -0.01 0.00 0.00 54.79 51.70 1rza n ASP 72 Cb 0.46 -0.55 0.61 0.00 -1.03 0.00 0.00 41.12 40.61 1rza n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1rza n SER 73 N -0.95 0.00 -3.91 -1.12 3.41 -1.26 -4.84 113.62 104.95 1rza n SER 73 Ca 0.24 0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.91 1rza n SER 73 Cb 0.87 -0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1rza n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1rza s GLN 74 N -2.74 1.53 -1.23 4.33 -0.21 -1.26 -5.06 119.66 115.01 1rza s GLN 74 Ca 0.20 -1.10 -0.16 0.00 0.02 0.00 0.00 55.36 54.31 1rza s GLN 74 Cb 0.17 0.50 -0.03 0.00 1.00 0.00 0.00 33.01 34.66 1rza s GLN 74 CO 0.42 -0.65 2.15 -0.25 -2.12 0.00 0.00 175.29 174.84 1rza n ASP 75 N -0.38 3.56 -0.10 5.90 8.00 -1.26 -4.58 116.55 127.69 1rza n ASP 75 Ca -0.04 -2.78 -0.18 0.00 0.71 0.00 0.00 54.79 52.50 1rza n ASP 75 Cb 0.62 -1.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.15 1rza n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rza n LYS 76 N 6.31 0.54 -4.05 -1.24 5.02 -1.26 -4.82 118.16 118.66 1rza n LYS 76 Ca 0.52 0.56 -0.32 0.00 -2.02 0.00 0.00 58.31 57.05 1rza n LYS 76 Cb 0.39 -1.73 -0.15 0.00 -0.02 0.00 0.00 35.03 33.52 1rza n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rza s ALA 77 N -2.46 2.45 0.12 7.82 0.00 -1.26 -3.80 121.76 124.63 1rza s ALA 77 Ca -0.26 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.08 1rza s ALA 77 Cb 0.05 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1rza s ALA 77 CO 0.50 -1.14 -0.10 0.14 0.00 0.00 0.00 175.76 175.17 1rza s VAL 78 N 1.16 1.03 -0.04 0.00 -7.23 -0.49 -0.90 120.40 113.93 1rza s VAL 78 Ca -0.07 -1.89 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1rza s VAL 78 Cb -0.19 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 1rza s VAL 78 CO -0.06 -0.69 -0.23 -0.22 -0.31 0.00 0.00 175.10 173.58 1rza s LEU 79 N -2.89 2.04 0.36 1.32 2.96 0.59 -0.78 118.68 122.27 1rza s LEU 79 Ca 0.12 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.48 1rza s LEU 79 Cb 0.01 -1.25 0.03 0.00 0.50 0.00 0.00 46.19 45.48 1rza s LEU 79 CO -0.00 0.26 0.63 -1.59 -1.32 0.00 0.00 176.35 174.32 1rza s LYS 80 N -0.34 2.04 2.43 1.98 -2.85 -0.20 -1.82 119.74 120.98 1rza s LYS 80 Ca 0.03 -1.56 0.00 0.00 -1.00 0.00 0.00 55.97 53.44 1rza s LYS 80 Cb -0.11 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1rza s LYS 80 CO 0.01 -0.90 0.00 0.41 0.10 0.00 0.00 175.35 174.97 1rza n GLY 81 N -0.54 -0.94 7.00 0.59 0.00 -1.26 -1.02 105.19 109.02 1rza n GLY 81 Ca -0.04 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1rza n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rza n GLY 82 N 0.00 3.11 0.68 -0.02 0.00 -0.65 -1.17 105.19 107.14 1rza n GLY 82 Ca 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.77 1rza n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rza n PRO 83 N 13.99 1.86 -3.39 1.61 -0.04 -1.26 -3.44 135.00 144.33 1rza n PRO 83 Ca 0.00 -1.33 -0.31 0.00 -0.04 0.00 0.00 63.50 61.82 1rza n PRO 83 Cb 0.00 -1.30 -0.05 0.00 -0.04 0.00 0.00 33.50 32.11 1rza n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rza s LEU 84 N -1.06 4.13 -0.17 1.53 1.43 -0.32 -5.08 118.68 119.15 1rza s LEU 84 Ca 0.26 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.20 1rza s LEU 84 Cb 0.14 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.70 1rza s LEU 84 CO 0.18 -0.11 -0.08 -1.81 0.23 0.00 0.00 176.35 174.76 1rza s ASP 85 N -2.58 4.26 0.00 2.29 1.01 -1.26 -4.23 116.67 116.16 1rza s ASP 85 Ca 0.46 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.41 1rza s ASP 85 Cb -0.11 -1.69 0.00 0.00 1.01 0.00 0.00 42.92 42.13 1rza s ASP 85 CO 0.24 0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.32 1rza n GLY 86 N 4.00 -0.28 3.67 0.21 0.00 -1.26 -4.94 105.19 106.59 1rza n GLY 86 Ca -0.18 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 1rza n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rza s THR 87 N -1.10 4.42 -0.14 2.61 2.01 -1.26 -4.54 115.64 117.64 1rza s THR 87 Ca 0.00 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.83 1rza s THR 87 Cb 0.00 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1rza s THR 87 CO 0.00 0.58 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.98 1rza s TYR 88 N -0.59 2.65 -0.03 4.92 1.51 -0.76 -1.25 117.35 123.80 1rza s TYR 88 Ca 0.10 -1.35 -0.17 0.00 -1.01 0.00 0.00 57.07 54.65 1rza s TYR 88 Cb -0.12 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1rza s TYR 88 CO 0.02 -0.62 0.46 1.03 -1.11 0.00 0.00 175.55 175.33 1rza s ARG 89 N 0.84 4.12 0.17 -0.62 0.52 -0.62 -0.30 118.95 123.06 1rza s ARG 89 Ca -0.06 0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 55.31 1rza s ARG 89 Cb -0.15 -3.30 -0.08 0.00 0.52 0.00 0.00 34.95 31.93 1rza s ARG 89 CO -0.02 0.49 1.30 -1.17 0.02 0.00 0.00 175.30 175.91 1rza s LEU 90 N -0.45 4.41 -0.09 2.53 2.96 -0.08 -1.23 118.68 126.72 1rza s LEU 90 Ca 0.25 2.32 -0.01 0.00 -0.22 0.00 0.00 54.13 56.48 1rza s LEU 90 Cb -0.17 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 1rza s LEU 90 CO 0.13 -0.52 -0.09 0.00 -1.32 0.00 0.00 176.35 174.55 1rza n ILE 91 N 2.98 0.50 -3.54 6.68 3.06 -0.44 -4.54 119.36 124.07 1rza n ILE 91 Ca 0.07 -0.18 -0.10 0.00 -2.50 0.00 0.00 62.75 60.04 1rza n ILE 91 Cb 0.43 -1.01 -0.02 0.00 0.54 0.00 0.00 39.64 39.58 1rza n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1rza s GLN 92 N -2.17 1.29 0.17 9.51 1.03 -1.22 -1.07 119.66 127.19 1rza s GLN 92 Ca -0.12 -0.55 0.07 0.00 0.04 0.00 0.00 55.36 54.80 1rza s GLN 92 Cb 0.04 0.55 -0.04 0.00 0.03 0.00 0.00 33.01 33.58 1rza s GLN 92 CO 0.19 -0.57 -0.14 -0.59 -2.54 0.00 0.00 175.29 171.64 1rza s PHE 93 N -3.64 1.56 0.25 9.60 -0.12 -0.86 -0.73 117.98 124.03 1rza s PHE 93 Ca 0.04 -0.59 -0.22 0.00 -0.05 0.00 0.00 56.93 56.11 1rza s PHE 93 Cb -0.02 -0.76 0.03 0.00 -0.63 0.00 0.00 43.02 41.64 1rza s PHE 93 CO -0.08 0.25 0.75 -3.38 -0.05 0.00 0.00 175.22 172.71 1rza s HIS 94 N -2.75 -0.21 0.35 3.49 -3.43 -0.74 -0.87 115.29 111.13 1rza s HIS 94 Ca 0.17 -0.20 0.06 0.00 -0.80 0.00 0.00 55.06 54.30 1rza s HIS 94 Cb -0.02 0.69 -0.07 0.00 -1.43 0.00 0.00 32.58 31.75 1rza s HIS 94 CO 0.05 -1.14 -0.01 -0.06 -2.00 0.00 0.00 174.74 171.57 1rza s PHE 95 N -3.81 2.23 -0.03 0.38 0.40 -1.26 -0.79 117.98 115.10 1rza s PHE 95 Ca 0.10 -0.72 0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1rza s PHE 95 Cb -0.05 -1.44 -0.00 0.00 0.51 0.00 0.00 43.02 42.04 1rza s PHE 95 CO 0.05 0.32 -0.13 -1.01 0.70 0.00 0.00 175.22 175.15 1rza s HIS 96 N -2.91 1.31 0.23 0.36 3.76 -0.23 -4.75 115.29 113.06 1rza s HIS 96 Ca 0.34 -0.35 -0.10 0.00 -0.15 0.00 0.00 55.06 54.80 1rza s HIS 96 Cb 0.07 -0.90 -0.01 0.00 1.11 0.00 0.00 32.58 32.85 1rza s HIS 96 CO 0.16 -0.13 0.39 1.67 -0.85 0.00 0.00 174.74 175.98 1rza s TRP 97 N 0.10 0.55 0.51 1.40 -2.14 -1.21 -1.00 118.94 117.16 1rza s TRP 97 Ca -0.03 -0.88 0.05 0.00 2.66 0.00 0.00 56.10 57.90 1rza s TRP 97 Cb -0.10 0.01 0.01 0.00 -3.10 0.00 0.00 33.47 30.29 1rza s TRP 97 CO 0.01 -0.90 0.29 0.20 -2.66 0.00 0.00 176.95 173.89 1rza s GLY 98 N -3.05 2.49 0.16 3.67 0.00 -1.17 -1.13 107.32 108.29 1rza s GLY 98 Ca 0.26 -1.22 0.25 0.00 0.00 0.00 0.00 44.72 44.01 1rza s GLY 98 CO 0.10 -1.98 1.53 -1.14 0.00 0.00 0.00 173.10 171.60 1rza n SER 99 N -1.59 0.77 -4.10 1.64 3.41 -1.26 -4.36 113.62 108.13 1rza n SER 99 Ca -0.05 0.33 -0.09 0.00 -0.26 0.00 0.00 58.87 58.80 1rza n SER 99 Cb 0.65 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.21 1rza n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rza s LEU 100 N -4.40 2.44 0.52 1.04 1.43 -1.26 -5.06 118.68 113.39 1rza s LEU 100 Ca 0.08 -0.88 0.34 0.00 -1.03 0.00 0.00 54.13 52.64 1rza s LEU 100 Cb 0.13 0.05 1.57 0.00 0.03 0.00 0.00 46.19 47.97 1rza s LEU 100 CO 0.67 -0.47 2.02 0.44 0.23 0.00 0.00 176.35 179.24 1rza h ASP 101 N 3.45 0.00 -0.27 2.29 3.32 -1.93 -2.66 116.42 120.62 1rza h ASP 101 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1rza h ASP 101 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1rza h ASP 101 CO 0.59 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.72 1rza n GLY 102 N -0.36 0.47 3.53 2.75 0.00 -1.26 -3.70 105.19 106.62 1rza n GLY 102 Ca -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 1rza n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rza s GLN 103 N -1.63 1.40 0.00 1.61 -2.07 -1.00 -4.71 119.66 113.26 1rza s GLN 103 Ca 0.19 -0.95 0.00 0.00 -1.82 0.00 0.00 55.36 52.78 1rza s GLN 103 Cb 0.10 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.53 1rza s GLN 103 CO 0.12 -0.59 0.00 0.41 -1.32 0.00 0.00 175.29 173.91 1rza n GLY 104 N -0.34 3.51 3.78 2.60 0.00 -1.13 -3.14 105.19 110.48 1rza n GLY 104 Ca -0.08 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 1rza n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rza s SER 105 N 0.00 4.91 -0.17 1.61 1.04 -0.73 -3.35 113.70 117.00 1rza s SER 105 Ca 0.00 1.80 -0.14 0.00 0.48 0.00 0.00 55.95 58.09 1rza s SER 105 Cb 0.00 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.53 1rza s SER 105 CO 0.00 -1.76 -0.18 -0.62 0.98 0.00 0.00 173.24 171.65 1rza n GLU 106 N -3.15 0.50 -2.45 4.02 1.02 -1.26 -4.86 120.64 114.45 1rza n GLU 106 Ca 0.09 0.43 -0.34 0.00 -0.02 0.00 0.00 57.16 57.32 1rza n GLU 106 Cb 0.53 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.31 1rza n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1rza s HIS 107 N -2.46 2.94 0.21 -0.32 3.76 -1.26 -4.41 115.29 113.76 1rza s HIS 107 Ca -0.23 1.57 0.09 0.00 -0.15 0.00 0.00 55.06 56.34 1rza s HIS 107 Cb 0.04 -3.10 -0.05 0.00 1.11 0.00 0.00 32.58 30.59 1rza s HIS 107 CO 0.35 -0.97 -0.16 0.95 -0.85 0.00 0.00 174.74 174.06 1rza s THR 108 N -1.99 1.87 -0.21 1.30 -4.23 -1.20 -4.71 115.64 106.47 1rza s THR 108 Ca 0.68 -2.19 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 1rza s THR 108 Cb -0.17 -2.05 0.04 0.00 1.34 0.00 0.00 72.50 71.66 1rza s THR 108 CO 0.22 -0.52 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.97 1rza s VAL 109 N -2.74 1.92 -1.55 2.29 1.01 -0.62 -0.24 120.40 120.47 1rza s VAL 109 Ca 0.23 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 1rza s VAL 109 Cb -0.02 -1.94 0.09 0.00 0.00 0.00 0.00 36.38 34.51 1rza s VAL 109 CO 0.08 0.19 0.90 0.47 0.00 0.00 0.00 175.10 176.75 1rza n ASP 110 N 4.59 -4.06 0.00 3.32 8.00 0.21 -0.81 116.55 127.80 1rza n ASP 110 Ca -0.16 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1rza n ASP 110 Cb 0.46 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 1rza n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rza n LYS 111 N -4.59 -0.46 -2.64 -1.24 4.76 -1.26 -5.01 118.16 107.72 1rza n LYS 111 Ca 0.01 0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 55.15 1rza n LYS 111 Cb 0.54 -3.84 -0.03 0.00 -1.84 0.00 0.00 35.03 29.85 1rza n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1rza s LYS 112 N -0.80 4.54 -0.11 1.97 2.20 0.01 -4.99 119.74 122.56 1rza s LYS 112 Ca 0.00 1.51 -0.06 0.00 -0.36 0.00 0.00 55.97 57.07 1rza s LYS 112 Cb 0.00 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1rza s LYS 112 CO 0.00 -0.07 0.11 0.15 -0.36 0.00 0.00 175.35 175.18 1rza s LYS 113 N 0.88 3.35 0.47 4.03 1.02 -1.26 -1.59 119.74 126.64 1rza s LYS 113 Ca 0.53 -0.19 0.08 0.00 0.02 0.00 0.00 55.97 56.41 1rza s LYS 113 Cb -0.23 -3.11 0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1rza s LYS 113 CO 0.29 0.76 0.61 0.71 -0.92 0.00 0.00 175.35 176.80 1rza s TYR 114 N -1.01 2.33 0.28 3.18 2.02 -1.26 -4.72 117.35 118.18 1rza s TYR 114 Ca 0.15 -0.52 0.13 0.00 -0.37 0.00 0.00 57.07 56.46 1rza s TYR 114 Cb -0.12 -2.29 0.55 0.00 -0.40 0.00 0.00 41.96 39.70 1rza s TYR 114 CO 0.04 -0.62 1.71 0.00 -1.57 0.00 0.00 175.55 175.11 1rza h ALA 115 N 0.54 1.10 -2.81 3.71 0.00 -1.48 -1.92 119.26 118.41 1rza h ALA 115 Ca -0.37 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 54.20 1rza h ALA 115 Cb 1.28 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1rza h ALA 115 CO 0.45 0.61 0.31 0.00 0.00 0.00 0.00 179.25 180.62 1rza s ALA 116 N -3.78 -1.34 -0.06 0.00 0.00 -1.15 -3.05 121.76 112.38 1rza s ALA 116 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1rza s ALA 116 Cb 0.13 0.79 0.04 0.00 0.00 0.00 0.00 23.12 24.07 1rza s ALA 116 CO 0.73 -1.04 0.12 -2.00 0.00 0.00 0.00 175.76 173.57 1rza s GLU 117 N -3.69 0.04 -0.04 0.00 2.12 -0.17 -1.21 118.70 115.75 1rza s GLU 117 Ca 0.12 0.37 -0.17 0.00 0.36 0.00 0.00 54.97 55.64 1rza s GLU 117 Cb -0.05 -0.23 -0.05 0.00 0.26 0.00 0.00 34.13 34.06 1rza s GLU 117 CO 0.06 -0.20 0.47 -1.17 -0.54 0.00 0.00 175.26 173.88 1rza s LEU 118 N 1.40 4.39 -0.21 2.70 2.96 0.42 -1.07 118.68 129.26 1rza s LEU 118 Ca -0.06 0.95 0.02 0.00 -0.22 0.00 0.00 54.13 54.82 1rza s LEU 118 Cb -0.12 -2.70 0.03 0.00 0.50 0.00 0.00 46.19 43.90 1rza s LEU 118 CO -0.05 0.16 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.98 1rza s HIS 119 N -0.27 2.97 -0.40 5.38 3.76 0.02 -1.24 115.29 125.51 1rza s HIS 119 Ca 0.26 -1.89 -0.17 0.00 -0.15 0.00 0.00 55.06 53.11 1rza s HIS 119 Cb -0.16 -1.93 0.01 0.00 1.11 0.00 0.00 32.58 31.61 1rza s HIS 119 CO 0.13 -0.83 0.41 -0.51 -0.85 0.00 0.00 174.74 173.09 1rza s LEU 120 N 1.22 4.77 -0.14 0.89 1.43 -0.56 -1.79 118.68 124.50 1rza s LEU 120 Ca -0.00 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.36 1rza s LEU 120 Cb -0.16 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1rza s LEU 120 CO -0.10 -0.52 0.39 -0.69 0.23 0.00 0.00 176.35 175.66 1rza s VAL 121 N 2.09 5.24 0.07 -1.59 1.01 0.09 -1.15 120.40 126.16 1rza s VAL 121 Ca 0.12 0.75 0.06 0.00 0.00 0.00 0.00 61.98 62.91 1rza s VAL 121 Cb -0.17 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1rza s VAL 121 CO 0.13 0.35 -0.16 -1.00 0.00 0.00 0.00 175.10 174.42 1rza s HIS 122 N 0.60 1.35 0.08 5.22 3.76 -0.14 -1.33 115.29 124.83 1rza s HIS 122 Ca 0.21 -0.44 0.09 0.00 -0.15 0.00 0.00 55.06 54.78 1rza s HIS 122 Cb -0.14 -0.76 -0.03 0.00 1.11 0.00 0.00 32.58 32.76 1rza s HIS 122 CO 0.07 0.09 -0.24 1.67 -0.85 0.00 0.00 174.74 175.48 1rza s TRP 123 N -1.19 2.10 -0.23 1.40 1.48 -0.37 -1.13 118.94 121.00 1rza s TRP 123 Ca 0.00 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.36 1rza s TRP 123 Cb -0.10 -1.20 -0.03 0.00 -1.16 0.00 0.00 33.47 30.98 1rza s TRP 123 CO 0.03 0.19 1.67 1.21 -4.06 0.00 0.00 176.95 175.98 1rza s ASN 124 N -1.55 6.29 0.62 -2.66 3.84 0.59 -1.58 114.94 120.49 1rza s ASN 124 Ca 0.10 1.60 0.38 0.00 0.21 0.00 0.00 52.86 55.15 1rza s ASN 124 Cb -0.10 -2.53 2.10 0.00 -0.55 0.00 0.00 41.25 40.17 1rza s ASN 124 CO 0.03 -1.34 2.29 0.71 -2.79 0.00 0.00 177.10 176.01 1rza h THR 125 N 6.26 0.24 0.00 -5.21 1.35 -1.52 -1.59 112.91 112.44 1rza h THR 125 Ca -0.34 -0.06 -0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1rza h THR 125 Cb 1.16 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1rza h THR 125 CO 1.00 0.01 -0.01 0.07 -0.25 0.00 0.00 175.52 176.34 1rza h LYS 127 N 0.00 0.00 -0.01 4.72 2.10 -1.90 -2.10 116.57 119.38 1rza h LYS 127 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1rza h LYS 127 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1rza h LYS 127 CO 0.00 0.01 -0.12 0.66 -2.00 0.00 0.00 179.45 178.00 1rza n TYR 128 N -3.34 0.00 0.00 0.07 4.01 -0.60 -4.97 117.16 112.33 1rza n TYR 128 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1rza n TYR 128 Cb 0.11 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1rza n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rza n GLY 129 N 1.26 0.89 3.45 2.72 0.00 -0.79 -4.55 105.19 108.17 1rza n GLY 129 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1rza n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1rza s ASP 130 N 0.00 -0.08 0.15 1.61 1.47 -1.26 -5.06 116.67 113.50 1rza s ASP 130 Ca 0.00 -0.77 -0.17 0.00 1.18 0.00 0.00 52.55 52.78 1rza s ASP 130 Cb 0.00 0.51 0.02 0.00 -0.34 0.00 0.00 42.92 43.12 1rza s ASP 130 CO 0.00 -0.99 1.75 0.15 0.68 0.00 0.00 175.17 176.76 1rza h PHE 131 N 2.38 0.18 -0.58 2.11 3.57 -1.95 -1.43 116.94 121.22 1rza h PHE 131 Ca -0.30 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.26 1rza h PHE 131 Cb 1.24 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1rza h PHE 131 CO 0.38 0.08 0.38 0.78 -2.23 0.00 0.00 178.31 177.71 1rza h GLY 132 N 0.23 0.76 1.28 2.40 0.00 -1.97 -2.00 103.07 103.77 1rza h GLY 132 Ca 0.14 -0.26 -0.33 0.00 0.00 0.00 0.00 47.33 46.88 1rza h GLY 132 CO -0.14 0.22 -1.48 0.50 0.00 0.00 0.00 176.54 175.64 1rza h LYS 133 N 0.66 0.50 -0.98 4.80 1.79 -1.77 -3.32 116.57 118.25 1rza h LYS 133 Ca 0.23 -0.85 0.03 0.00 -2.18 0.00 0.00 60.65 57.88 1rza h LYS 133 Cb 0.11 0.32 -0.06 0.00 -1.58 0.00 0.00 32.23 31.02 1rza h LYS 133 CO -0.06 1.41 0.64 0.00 -1.08 0.00 0.00 179.45 180.36 1rza h ALA 134 N 0.21 1.29 0.00 3.86 0.00 -0.75 -2.44 119.26 121.43 1rza h ALA 134 Ca -0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1rza h ALA 134 Cb 2.15 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1rza h ALA 134 CO 0.26 0.55 0.00 -0.39 0.00 0.00 0.00 179.25 179.67 1rza h VAL 135 N 1.26 0.00 -0.32 0.00 -1.51 -1.48 -2.61 116.25 111.59 1rza h VAL 135 Ca 0.39 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 1rza h VAL 135 Cb -0.03 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 1rza h VAL 135 CO -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.22 1rza n GLN 136 N -2.51 1.77 -4.68 5.19 1.13 -0.92 -4.66 117.38 112.71 1rza n GLN 136 Ca -0.01 -1.16 -0.25 0.00 -1.94 0.00 0.00 57.00 53.64 1rza n GLN 136 Cb 0.12 -1.27 -0.14 0.00 0.11 0.00 0.00 30.24 29.06 1rza n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1rza s GLN 137 N -1.58 1.38 0.51 -1.09 -1.52 -0.98 -5.04 119.66 111.35 1rza s GLN 137 Ca 0.22 -0.86 0.17 0.00 -1.95 0.00 0.00 55.36 52.94 1rza s GLN 137 Cb 0.11 -1.44 1.28 0.00 -0.22 0.00 0.00 33.01 32.74 1rza s GLN 137 CO 0.14 0.37 2.13 -1.00 -0.25 0.00 0.00 175.29 176.69 1rza h PRO 138 N 5.08 0.00 -0.35 2.91 0.13 -1.86 -2.00 132.00 135.90 1rza h PRO 138 Ca -0.41 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.51 1rza h PRO 138 Cb 1.16 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 1rza h PRO 138 CO 0.45 0.04 -0.24 -0.40 -0.23 0.00 0.00 178.00 177.62 1rza n ASP 139 N -4.40 2.80 0.08 1.44 5.75 -1.26 -4.19 116.55 116.78 1rza n ASP 139 Ca -0.03 -3.82 -0.09 0.00 -0.01 0.00 0.00 54.79 50.84 1rza n ASP 139 Cb 0.12 -0.59 -0.01 0.00 -1.03 0.00 0.00 41.12 39.62 1rza n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1rza h GLY 140 N 1.19 0.24 -2.87 6.12 0.00 -1.16 -3.43 103.07 103.16 1rza h GLY 140 Ca 0.21 -0.42 -0.53 0.00 0.00 0.00 0.00 47.33 46.59 1rza h GLY 140 CO 0.40 0.37 -0.77 1.08 0.00 0.00 0.00 176.54 177.62 1rza s LEU 141 N -7.46 2.50 -0.10 3.11 1.43 0.07 -0.30 118.68 117.93 1rza s LEU 141 Ca -0.03 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 1rza s LEU 141 Cb 0.10 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.48 1rza s LEU 141 CO 0.83 -0.05 -0.08 0.00 0.23 0.00 0.00 176.35 177.29 1rza s ALA 142 N -2.36 1.25 -0.14 4.21 0.00 -0.28 -0.83 121.76 123.60 1rza s ALA 142 Ca 0.21 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 1rza s ALA 142 Cb -0.04 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1rza s ALA 142 CO 0.08 -0.32 -0.10 0.08 0.00 0.00 0.00 175.76 175.51 1rza s VAL 143 N 1.52 3.33 -0.25 0.00 1.01 -0.87 -0.96 120.40 124.17 1rza s VAL 143 Ca 0.01 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1rza s VAL 143 Cb -0.13 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1rza s VAL 143 CO -0.06 0.51 0.44 -0.22 0.00 0.00 0.00 175.10 175.77 1rza s LEU 144 N 0.42 4.07 -0.12 3.92 2.96 -0.30 -1.11 118.68 128.51 1rza s LEU 144 Ca -0.08 0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 54.23 1rza s LEU 144 Cb -0.15 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 1rza s LEU 144 CO 0.04 -0.21 0.01 -0.83 -1.32 0.00 0.00 176.35 174.05 1rza s GLY 145 N 1.48 1.85 -0.05 7.98 0.00 0.91 -1.50 107.32 117.98 1rza s GLY 145 Ca 0.18 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.14 1rza s GLY 145 CO 0.09 -0.35 -0.11 -0.42 0.00 0.00 0.00 173.10 172.31 1rza s ILE 146 N -0.42 1.01 0.32 0.90 1.01 -0.37 -1.51 121.20 122.14 1rza s ILE 146 Ca 0.08 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 1rza s ILE 146 Cb -0.12 -0.92 -0.07 0.00 0.01 0.00 0.00 42.46 41.35 1rza s ILE 146 CO 0.02 0.32 0.68 -0.36 0.00 0.00 0.00 174.94 175.60 1rza s PHE 147 N 0.51 3.42 -0.12 3.97 0.08 -1.26 -0.44 117.98 124.14 1rza s PHE 147 Ca -0.10 1.03 0.02 0.00 0.12 0.00 0.00 56.93 58.00 1rza s PHE 147 Cb -0.13 -2.40 -0.00 0.00 -0.57 0.00 0.00 43.02 39.91 1rza s PHE 147 CO 0.02 0.08 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.52 1rza s LEU 148 N -3.25 2.33 0.22 -0.37 1.02 -0.35 -0.83 118.68 117.44 1rza s LEU 148 Ca 0.51 -0.48 0.09 0.00 0.02 0.00 0.00 54.13 54.27 1rza s LEU 148 Cb -0.10 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.57 1rza s LEU 148 CO 0.24 0.15 -0.08 -1.59 0.02 0.00 0.00 176.35 175.08 1rza s LYS 149 N 0.44 2.08 -0.09 1.70 -2.85 -0.34 -2.01 119.74 118.67 1rza s LYS 149 Ca -0.14 -1.37 -0.20 0.00 -1.00 0.00 0.00 55.97 53.26 1rza s LYS 149 Cb -0.17 -2.11 -0.04 0.00 -2.06 0.00 0.00 37.83 33.45 1rza s LYS 149 CO 0.06 0.40 0.58 0.08 0.10 0.00 0.00 175.35 176.57 1rza s VAL 150 N -1.98 5.11 0.00 1.79 1.01 -1.26 -1.46 120.40 123.62 1rza s VAL 150 Ca 0.27 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1rza s VAL 150 Cb -0.08 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1rza s VAL 150 CO 0.16 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1rza n GLY 151 N 3.14 0.23 3.79 4.51 0.00 0.13 -4.88 105.19 112.11 1rza n GLY 151 Ca -0.05 0.52 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 1rza n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rza s SER 152 N 2.00 6.37 0.54 1.61 0.01 -1.26 -4.04 113.70 118.94 1rza s SER 152 Ca 0.00 1.96 -0.20 0.00 1.31 0.00 0.00 55.95 59.02 1rza s SER 152 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 1rza s SER 152 CO 0.00 -0.76 1.17 0.00 0.41 0.00 0.00 173.24 174.06 1rza s ALA 153 N -1.92 2.70 -0.42 1.44 0.00 -1.26 -2.10 121.76 120.20 1rza s ALA 153 Ca 0.66 0.92 -0.08 0.00 0.00 0.00 0.00 51.96 53.46 1rza s ALA 153 Cb -0.18 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.63 1rza s ALA 153 CO 0.21 -0.89 0.25 0.21 0.00 0.00 0.00 175.76 175.54 1rza s LYS 154 N -3.19 2.53 0.20 0.00 2.47 -1.24 -4.81 119.74 115.71 1rza s LYS 154 Ca 0.73 -1.52 -0.13 0.00 -1.56 0.00 0.00 55.97 53.49 1rza s LYS 154 Cb -0.27 -3.76 0.24 0.00 -1.46 0.00 0.00 37.83 32.58 1rza s LYS 154 CO 0.31 -0.98 1.65 -1.35 0.16 0.00 0.00 175.35 175.15 1rza h PRO 155 N 8.37 0.06 0.00 4.03 0.11 -1.91 -1.36 132.00 141.30 1rza h PRO 155 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1rza h PRO 155 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1rza h PRO 155 CO 0.76 0.04 0.00 0.78 -0.21 0.00 0.00 178.00 179.37 1rza h GLY 156 N 0.07 0.00 0.99 -0.55 0.00 -1.95 -2.31 103.07 99.32 1rza h GLY 156 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1rza h GLY 156 CO -0.54 0.00 -0.87 -0.10 0.00 0.00 0.00 176.54 175.03 1rza n LEU 157 N -2.33 0.75 -0.33 3.11 7.94 -0.51 -4.48 117.00 121.16 1rza n LEU 157 Ca -0.00 0.24 0.06 0.00 -1.11 0.00 0.00 56.01 55.19 1rza n LEU 157 Cb 0.12 -0.11 0.25 0.00 0.53 0.00 0.00 43.42 44.21 1rza n LEU 157 CO 0.15 -0.10 1.24 -0.61 -1.11 0.00 0.00 177.39 176.96 1rza h GLN 158 N 0.00 0.97 -0.28 1.96 5.75 -1.42 -0.91 115.11 121.18 1rza h GLN 158 Ca 0.00 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1rza h GLN 158 Cb 0.87 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 1rza h GLN 158 CO 0.00 0.64 0.19 0.87 -2.65 0.00 0.00 178.83 177.88 1rza h LYS 159 N 1.00 0.34 -0.01 1.69 1.57 -1.79 -0.97 116.57 118.39 1rza h LYS 159 Ca 0.44 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.18 1rza h LYS 159 Cb 0.35 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1rza h LYS 159 CO -0.19 0.22 -0.04 0.28 -0.57 0.00 0.00 179.45 179.15 1rza h VAL 160 N 0.35 1.49 -0.64 0.50 2.07 -1.47 -3.16 116.25 115.39 1rza h VAL 160 Ca 0.11 -1.51 0.11 0.00 0.82 0.00 0.00 66.70 66.23 1rza h VAL 160 Cb 0.01 2.48 -0.08 0.00 -1.52 0.00 0.00 31.29 32.18 1rza h VAL 160 CO -0.02 0.40 0.22 0.58 0.02 0.00 0.00 177.57 178.76 1rza h VAL 161 N -0.56 0.71 0.00 2.57 2.07 -0.97 -2.54 116.25 117.53 1rza h VAL 161 Ca -0.00 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1rza h VAL 161 Cb 0.67 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1rza h VAL 161 CO 0.01 0.07 -0.17 0.44 0.02 0.00 0.00 177.57 177.93 1rza h ASP 162 N 0.38 0.00 0.30 0.57 3.32 -1.20 -2.87 116.42 116.90 1rza h ASP 162 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1rza h ASP 162 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1rza h ASP 162 CO -0.36 0.17 -0.36 0.55 -1.72 0.00 0.00 179.24 177.53 1rza n VAL 163 N -3.67 0.00 -0.19 -1.35 3.14 -0.96 -4.40 118.33 110.89 1rza n VAL 163 Ca -0.01 -0.09 0.06 0.00 -2.96 0.00 0.00 64.34 61.33 1rza n VAL 163 Cb 0.29 0.41 0.34 0.00 -1.06 0.00 0.00 33.84 33.82 1rza n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1rza h LEU 164 N 0.86 0.69 -1.96 6.55 3.38 -1.50 -1.39 115.31 121.93 1rza h LEU 164 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1rza h LEU 164 Cb 0.51 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1rza h LEU 164 CO 0.00 0.45 0.28 0.44 0.09 0.00 0.00 178.44 179.70 1rza h ASP 165 N 0.79 0.04 0.50 -0.43 3.32 -1.80 -0.88 116.42 117.96 1rza h ASP 165 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1rza h ASP 165 Cb 0.23 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1rza h ASP 165 CO -0.11 0.02 -0.11 -1.54 -1.72 0.00 0.00 179.24 175.79 1rza n SER 166 N -4.43 0.31 -2.48 6.45 3.41 -0.53 -3.79 113.62 112.57 1rza n SER 166 Ca 0.06 -0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.24 1rza n SER 166 Cb 0.44 -0.15 0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1rza n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1rza n ILE 167 N -1.15 1.82 -0.07 -1.33 -5.35 -0.34 -4.71 119.36 108.23 1rza n ILE 167 Ca 0.13 -3.63 0.03 0.00 -0.27 0.00 0.00 62.75 59.01 1rza n ILE 167 Cb 0.28 0.05 0.38 0.00 -1.74 0.00 0.00 39.64 38.61 1rza n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1rza h LYS 168 N 2.49 0.67 -6.35 6.28 3.64 -1.63 -3.42 116.57 118.25 1rza h LYS 168 Ca 0.10 -0.04 -0.62 0.00 -1.27 0.00 0.00 60.65 58.83 1rza h LYS 168 Cb 1.32 -0.15 -0.14 0.00 -0.41 0.00 0.00 32.23 32.85 1rza h LYS 168 CO 0.50 0.44 -0.75 0.95 -2.27 0.00 0.00 179.45 178.32 1rza s THR 169 N -5.60 2.71 0.18 1.00 -4.23 -1.26 -0.75 115.64 107.69 1rza s THR 169 Ca -0.09 -2.12 -0.33 0.00 -1.18 0.00 0.00 61.69 57.97 1rza s THR 169 Cb 0.18 -2.38 -0.15 0.00 1.34 0.00 0.00 72.50 71.48 1rza s THR 169 CO 0.75 -0.28 1.25 1.17 -0.54 0.00 0.00 174.62 176.97 1rza n LYS 170 N -0.34 1.41 0.00 3.99 4.81 -0.04 -1.96 118.16 126.03 1rza n LYS 170 Ca -0.08 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 1rza n LYS 170 Cb 0.58 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.57 1rza n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rza n GLY 171 N 2.14 2.17 3.77 3.14 0.00 0.11 -4.46 105.19 112.06 1rza n GLY 171 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1rza n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rza s LYS 172 N -0.55 4.36 0.05 1.61 1.02 -0.83 -4.87 119.74 120.55 1rza s LYS 172 Ca 0.00 1.56 -0.01 0.00 0.02 0.00 0.00 55.97 57.54 1rza s LYS 172 Cb 0.00 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1rza s LYS 172 CO 0.00 0.03 -0.04 -1.54 -0.92 0.00 0.00 175.35 172.88 1rza s SER 173 N -1.39 0.56 -0.04 2.83 1.04 -1.26 -0.92 113.70 114.51 1rza s SER 173 Ca 0.53 -0.95 -0.07 0.00 0.48 0.00 0.00 55.95 55.94 1rza s SER 173 Cb -0.24 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.07 1rza s SER 173 CO 0.30 -0.55 0.18 0.00 0.98 0.00 0.00 173.24 174.15 1rza s ALA 174 N -3.63 -0.43 0.33 5.32 0.00 -0.34 -4.93 121.76 118.07 1rza s ALA 174 Ca 0.05 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 1rza s ALA 174 Cb 0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 23.12 22.94 1rza s ALA 174 CO -0.08 -0.14 1.44 -0.51 0.00 0.00 0.00 175.76 176.46 1rza s ASP 175 N -0.54 6.53 -0.44 0.00 1.01 -1.26 -0.37 116.67 121.59 1rza s ASP 175 Ca -0.06 2.86 0.07 0.00 0.71 0.00 0.00 52.55 56.13 1rza s ASP 175 Cb -0.04 -2.65 0.23 0.00 1.01 0.00 0.00 42.92 41.47 1rza s ASP 175 CO 0.01 -0.75 0.64 0.33 0.21 0.00 0.00 175.17 175.61 1rza n PHE 176 N 1.15 -1.81 -3.65 4.23 7.35 -0.54 -4.72 117.46 119.47 1rza n PHE 176 Ca 0.03 -2.69 -0.24 0.00 -0.76 0.00 0.00 57.45 53.78 1rza n PHE 176 Cb 0.40 0.57 -0.02 0.00 0.35 0.00 0.00 39.48 40.77 1rza n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1rza s THR 177 N -0.17 5.18 -1.43 -2.13 -4.23 -1.26 -2.89 115.64 108.70 1rza s THR 177 Ca 0.33 -0.58 -0.01 0.00 -1.18 0.00 0.00 61.69 60.25 1rza s THR 177 Cb 0.15 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1rza s THR 177 CO -0.16 -0.37 0.16 0.59 -0.54 0.00 0.00 174.62 174.30 1rza n ASN 178 N -1.31 -5.20 -4.75 3.99 4.13 -1.26 -4.95 115.26 105.90 1rza n ASN 178 Ca -0.06 -0.09 -0.37 0.00 1.68 0.00 0.00 54.58 55.74 1rza n ASN 178 Cb 0.56 -4.21 -0.07 0.00 -1.54 0.00 0.00 39.78 34.52 1rza n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1rza s PHE 179 N -2.94 3.53 -0.35 3.10 5.36 -1.26 -5.01 117.98 120.42 1rza s PHE 179 Ca 0.08 0.74 -0.10 0.00 -0.96 0.00 0.00 56.93 56.69 1rza s PHE 179 Cb -0.04 -2.36 0.02 0.00 -0.34 0.00 0.00 43.02 40.30 1rza s PHE 179 CO 0.10 0.32 0.17 0.34 -1.46 0.00 0.00 175.22 174.69 1rza s ASP 180 N 0.15 5.57 0.00 6.13 -1.08 -1.26 -4.41 116.67 121.76 1rza s ASP 180 Ca 0.20 -0.88 0.15 0.00 -0.52 0.00 0.00 52.55 51.49 1rza s ASP 180 Cb -0.14 -1.98 0.71 0.00 -1.46 0.00 0.00 42.92 40.04 1rza s ASP 180 CO 0.07 -0.32 1.43 -0.81 0.52 0.00 0.00 175.17 176.07 1rza n PRO 181 N 4.95 0.14 0.28 4.34 -0.04 -1.26 -2.48 135.00 140.93 1rza n PRO 181 Ca -0.13 0.18 0.15 0.00 -0.04 0.00 0.00 63.50 63.67 1rza n PRO 181 Cb 0.47 -1.50 0.83 0.00 -0.04 0.00 0.00 33.50 33.26 1rza n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rza h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -1.37 114.38 114.70 1rza h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rza h ARG 182 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1rza h ARG 182 CO 0.00 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 1rza n GLY 183 N -0.78 -0.87 0.75 0.04 0.00 -1.04 -2.69 105.19 100.60 1rza n GLY 183 Ca -0.02 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.00 1rza n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rza n LEU 184 N -1.22 2.55 -4.83 0.99 4.77 -0.52 -4.39 117.00 114.36 1rza n LEU 184 Ca 0.11 -0.97 -0.35 0.00 -0.03 0.00 0.00 56.01 54.76 1rza n LEU 184 Cb 0.14 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1rza n LEU 184 CO 0.14 0.44 0.31 -0.76 -1.33 0.00 0.00 177.39 176.20 1rza s LEU 185 N -1.71 4.33 1.08 2.23 1.43 -1.09 -4.95 118.68 120.00 1rza s LEU 185 Ca 0.22 1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 54.37 1rza s LEU 185 Cb 0.16 -3.42 0.23 0.00 0.03 0.00 0.00 46.19 43.20 1rza s LEU 185 CO 0.27 0.07 1.14 -2.16 0.23 0.00 0.00 176.35 175.90 1rza s PRO 186 N -2.00 -0.28 0.12 1.29 0.04 -1.26 -4.97 135.00 127.94 1rza s PRO 186 Ca 0.40 0.05 -0.13 0.00 0.04 0.00 0.00 61.00 61.37 1rza s PRO 186 Cb -0.15 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1rza s PRO 186 CO 0.20 -3.11 1.48 1.49 0.04 0.00 0.00 177.00 177.10 1rza h GLU 187 N -2.15 0.82 -5.89 4.56 4.81 -1.92 -3.44 114.58 111.37 1rza h GLU 187 Ca -0.48 -0.39 -0.63 0.00 -0.13 0.00 0.00 59.36 57.74 1rza h GLU 187 Cb 1.30 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 1rza h GLU 187 CO 0.44 1.02 -0.33 0.45 -0.73 0.00 0.00 179.01 179.86 1rza s SER 188 N -6.59 6.60 -0.25 1.04 0.15 -1.26 -5.01 113.70 108.38 1rza s SER 188 Ca -0.12 0.72 0.13 0.00 0.70 0.00 0.00 55.95 57.38 1rza s SER 188 Cb 0.10 -2.16 0.67 0.00 -1.71 0.00 0.00 66.02 62.92 1rza s SER 188 CO 0.84 0.32 1.63 0.18 1.20 0.00 0.00 173.24 177.41 1rza n LEU 189 N 1.63 5.04 -4.77 3.45 4.77 -1.26 -4.74 117.00 121.12 1rza n LEU 189 Ca -0.15 -3.12 -0.40 0.00 -0.03 0.00 0.00 56.01 52.31 1rza n LEU 189 Cb 0.53 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1rza n LEU 189 CO 0.37 0.75 1.03 -1.81 -1.33 0.00 0.00 177.39 176.40 1rza s ASP 190 N -1.43 6.17 0.26 -1.43 1.01 -1.26 -4.76 116.67 115.23 1rza s ASP 190 Ca 0.50 2.82 -0.12 0.00 0.71 0.00 0.00 52.55 56.46 1rza s ASP 190 Cb 0.40 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.67 1rza s ASP 190 CO 0.11 -0.96 0.48 -0.72 0.21 0.00 0.00 175.17 174.29 1rza s TYR 191 N -1.21 0.44 0.14 4.23 -0.85 -1.26 -1.61 117.35 117.24 1rza s TYR 191 Ca 0.57 -0.80 0.08 0.00 -0.52 0.00 0.00 57.07 56.41 1rza s TYR 191 Cb -0.42 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.06 1rza s TYR 191 CO 0.54 -1.03 -0.11 -1.58 -1.52 0.00 0.00 175.55 171.86 1rza s TRP 192 N -3.85 2.65 -0.01 -3.49 0.51 0.22 -0.68 118.94 114.30 1rza s TRP 192 Ca 0.23 -0.21 -0.03 0.00 -2.12 0.00 0.00 56.10 53.98 1rza s TRP 192 Cb -0.01 -1.34 -0.00 0.00 -0.81 0.00 0.00 33.47 31.31 1rza s TRP 192 CO 0.10 0.46 0.06 -0.08 -0.51 0.00 0.00 176.95 176.99 1rza s THR 193 N -1.45 0.04 0.15 2.01 -1.32 -0.11 -0.75 115.64 114.21 1rza s THR 193 Ca 0.23 -0.34 -0.23 0.00 -1.21 0.00 0.00 61.69 60.14 1rza s THR 193 Cb -0.10 -0.20 0.07 0.00 -1.51 0.00 0.00 72.50 70.76 1rza s THR 193 CO 0.14 -0.19 0.58 -0.72 -2.21 0.00 0.00 174.62 172.23 1rza s TYR 194 N -0.57 -0.51 -0.08 9.09 1.13 -1.12 -1.30 117.35 123.99 1rza s TYR 194 Ca -0.06 0.32 -0.24 0.00 -1.41 0.00 0.00 57.07 55.68 1rza s TYR 194 Cb -0.04 0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1rza s TYR 194 CO 0.00 -0.82 0.75 -1.25 -2.51 0.00 0.00 175.55 171.71 1rza s PRO 195 N -3.64 4.42 0.00 -3.49 0.04 -1.26 -1.11 135.00 129.96 1rza s PRO 195 Ca 0.01 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1rza s PRO 195 Cb -0.01 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1rza s PRO 195 CO -0.12 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1rza n GLY 196 N 3.16 4.32 3.33 0.56 0.00 0.16 -4.84 105.19 111.88 1rza n GLY 196 Ca 0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 1rza n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rza s SER 197 N 1.54 1.55 0.66 1.61 1.04 -1.09 -2.44 113.70 116.57 1rza s SER 197 Ca 0.00 -1.59 -0.16 0.00 0.48 0.00 0.00 55.95 54.68 1rza s SER 197 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1rza s SER 197 CO 0.00 -0.92 1.17 -0.76 0.98 0.00 0.00 173.24 173.71 1rza s LEU 198 N -3.37 3.44 0.00 2.42 1.43 -0.72 -4.52 118.68 117.36 1rza s LEU 198 Ca 0.36 2.23 0.24 0.00 -1.03 0.00 0.00 54.13 55.93 1rza s LEU 198 Cb 0.04 -4.58 0.33 0.00 0.03 0.00 0.00 46.19 42.02 1rza s LEU 198 CO 0.19 -1.84 1.34 0.35 0.23 0.00 0.00 176.35 176.63 1rza n THR 199 N -2.28 0.23 -4.37 5.49 -2.24 -1.26 -4.45 114.28 105.40 1rza n THR 199 Ca 0.12 -0.60 -0.19 0.00 -2.27 0.00 0.00 64.05 61.11 1rza n THR 199 Cb 0.51 1.22 -0.10 0.00 -2.10 0.00 0.00 70.33 69.86 1rza n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rza s THR 200 N -1.77 1.66 0.38 4.28 -4.23 -1.26 -4.75 115.64 109.96 1rza s THR 200 Ca 0.33 -2.17 -0.26 0.00 -1.18 0.00 0.00 61.69 58.41 1rza s THR 200 Cb 0.21 -2.18 -0.12 0.00 1.34 0.00 0.00 72.50 71.75 1rza s THR 200 CO 0.31 -0.49 1.03 -2.65 -0.54 0.00 0.00 174.62 172.27 1rza n PRO 201 N -0.44 1.42 0.00 3.99 -0.02 -1.26 -0.62 135.00 138.07 1rza n PRO 201 Ca -0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1rza n PRO 201 Cb 0.61 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1rza n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1rza n PRO 202 N 0.34 0.91 -2.31 0.52 -0.04 -1.26 -5.01 135.00 128.16 1rza n PRO 202 Ca 0.09 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 1rza n PRO 202 Cb 0.37 -1.00 -0.01 0.00 -0.04 0.00 0.00 33.50 32.81 1rza n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1rza n LEU 203 N -0.49 -1.36 -4.77 1.53 4.77 0.21 -4.92 117.00 111.98 1rza n LEU 203 Ca 0.00 0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.73 1rza n LEU 203 Cb 0.00 -2.37 -0.01 0.00 -2.33 0.00 0.00 43.42 38.71 1rza n LEU 203 CO 0.00 -0.23 1.12 -0.76 -1.33 0.00 0.00 177.39 176.19 1rza s LEU 204 N -5.54 4.35 -1.22 2.23 1.43 -1.26 -4.45 118.68 114.21 1rza s LEU 204 Ca 0.00 2.92 -0.09 0.00 -1.03 0.00 0.00 54.13 55.94 1rza s LEU 204 Cb 0.00 -3.65 0.20 0.00 0.03 0.00 0.00 46.19 42.77 1rza s LEU 204 CO 0.00 -0.79 1.70 -0.62 0.23 0.00 0.00 176.35 176.86 1rza n GLU 205 N 0.98 3.76 -0.08 1.70 1.02 -1.26 -1.75 120.64 125.01 1rza n GLU 205 Ca 0.02 -3.83 0.05 0.00 -0.02 0.00 0.00 57.16 53.38 1rza n GLU 205 Cb 0.40 -2.84 0.07 0.00 -0.02 0.00 0.00 31.44 29.04 1rza n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rza s VAL 207 N -1.71 3.30 -0.37 0.00 1.01 -1.02 -0.75 120.40 120.85 1rza s VAL 207 Ca 0.15 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 1rza s VAL 207 Cb 0.13 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 1rza s VAL 207 CO 0.01 0.55 0.28 -0.89 0.00 0.00 0.00 175.10 175.06 1rza s THR 208 N -0.16 5.26 0.19 3.92 2.01 -0.01 0.41 115.64 127.26 1rza s THR 208 Ca 0.00 -0.38 -0.24 0.00 0.31 0.00 0.00 61.69 61.38 1rza s THR 208 Cb -0.13 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 1rza s THR 208 CO 0.03 -0.15 0.77 0.26 -0.69 0.00 0.00 174.62 174.84 1rza s TRP 209 N 1.74 3.83 -0.31 4.92 0.52 -0.27 -2.06 118.94 127.32 1rza s TRP 209 Ca 0.06 1.58 0.00 0.00 0.02 0.00 0.00 56.10 57.77 1rza s TRP 209 Cb -0.18 -2.74 0.09 0.00 -1.15 0.00 0.00 33.47 29.50 1rza s TRP 209 CO 0.11 0.45 0.07 0.42 0.02 0.00 0.00 176.95 178.02 1rza s ILE 210 N -1.27 1.27 -0.23 2.03 1.01 -0.27 -2.78 121.20 120.96 1rza s ILE 210 Ca 0.38 -1.59 -0.07 0.00 0.00 0.00 0.00 60.65 59.38 1rza s ILE 210 Cb -0.21 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1rza s ILE 210 CO 0.25 -0.59 0.05 -0.69 0.00 0.00 0.00 174.94 173.96 1rza s VAL 211 N 1.43 4.23 0.19 2.92 1.01 0.07 -0.07 120.40 130.17 1rza s VAL 211 Ca 0.08 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1rza s VAL 211 Cb -0.18 -2.95 -0.08 0.00 0.00 0.00 0.00 36.38 33.17 1rza s VAL 211 CO -0.19 0.37 1.04 -0.76 0.00 0.00 0.00 175.10 175.57 1rza s LEU 212 N 1.36 4.53 0.21 3.92 1.43 -0.57 -0.61 118.68 128.95 1rza s LEU 212 Ca 0.05 2.03 -0.05 0.00 -1.03 0.00 0.00 54.13 55.13 1rza s LEU 212 Cb -0.15 -3.61 0.18 0.00 0.03 0.00 0.00 46.19 42.65 1rza s LEU 212 CO 0.03 -0.11 1.63 0.50 0.23 0.00 0.00 176.35 178.62 1rza h LYS 213 N 4.85 0.79 -5.47 1.70 3.64 -1.64 -3.43 116.57 117.01 1rza h LYS 213 Ca -0.44 -0.32 -0.61 0.00 -1.27 0.00 0.00 60.65 58.01 1rza h LYS 213 Cb 1.21 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.88 1rza h LYS 213 CO 0.71 0.94 0.04 -2.00 -2.27 0.00 0.00 179.45 176.86 1rza s GLU 214 N -4.63 4.13 0.74 1.90 2.12 -1.26 -5.01 118.70 116.68 1rza s GLU 214 Ca -0.09 0.44 -0.11 0.00 0.36 0.00 0.00 54.97 55.56 1rza s GLU 214 Cb 0.13 -3.62 0.03 0.00 0.26 0.00 0.00 34.13 30.93 1rza s GLU 214 CO 0.84 -0.30 1.09 -2.14 -0.54 0.00 0.00 175.26 174.20 1rza s PRO 215 N 2.14 2.61 0.17 4.30 0.02 -1.26 -4.68 135.00 138.29 1rza s PRO 215 Ca 0.24 0.62 0.05 0.00 0.02 0.00 0.00 61.00 61.93 1rza s PRO 215 Cb -0.16 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 1rza s PRO 215 CO 0.09 -1.25 0.16 0.96 -0.33 0.00 0.00 177.00 176.64 1rza s ILE 216 N -3.22 4.61 -0.02 2.83 -4.36 -0.01 -4.89 121.20 116.13 1rza s ILE 216 Ca 0.59 -1.05 -0.05 0.00 -0.26 0.00 0.00 60.65 59.88 1rza s ILE 216 Cb -0.13 -3.37 -0.04 0.00 1.25 0.00 0.00 42.46 40.17 1rza s ILE 216 CO 0.53 -0.12 0.22 -0.44 0.24 0.00 0.00 174.94 175.37 1rza s SER 217 N -3.18 6.43 0.13 4.36 0.01 -1.26 -1.19 113.70 119.00 1rza s SER 217 Ca 0.32 0.47 0.05 0.00 1.31 0.00 0.00 55.95 58.10 1rza s SER 217 Cb -0.10 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.04 1rza s SER 217 CO 0.24 0.29 -0.13 0.68 0.41 0.00 0.00 173.24 174.73 1rza s VAL 218 N -1.26 1.26 0.54 3.43 -7.23 -0.53 -3.64 120.40 112.97 1rza s VAL 218 Ca 0.25 -1.80 -0.05 0.00 -1.81 0.00 0.00 61.98 58.57 1rza s VAL 218 Cb -0.13 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.21 1rza s VAL 218 CO 0.15 -0.52 0.84 -0.94 -0.31 0.00 0.00 175.10 174.33 1rza s SER 219 N -2.65 5.88 0.26 4.85 1.04 -1.15 0.22 113.70 122.14 1rza s SER 219 Ca 0.11 0.78 -0.03 0.00 0.48 0.00 0.00 55.95 57.29 1rza s SER 219 Cb -0.03 -1.92 0.43 0.00 0.10 0.00 0.00 66.02 64.61 1rza s SER 219 CO 0.02 -0.85 1.84 -1.28 0.98 0.00 0.00 173.24 173.95 1rza h SER 220 N 0.01 0.84 -0.25 7.02 0.87 -1.93 -0.45 113.55 119.67 1rza h SER 220 Ca -0.46 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.06 1rza h SER 220 Cb 1.23 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1rza h SER 220 CO 0.61 0.49 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.98 1rza h GLU 221 N 0.95 0.62 0.00 2.24 3.07 -1.95 0.14 114.58 119.65 1rza h GLU 221 Ca 0.43 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1rza h GLU 221 Cb 0.33 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1rza h GLU 221 CO -0.23 0.70 -0.00 1.96 -1.40 0.00 0.00 179.01 180.04 1rza h GLN 222 N 0.58 -0.00 -0.15 2.33 4.20 -1.50 -2.96 115.11 117.61 1rza h GLN 222 Ca 0.11 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1rza h GLN 222 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1rza h GLN 222 CO 0.03 0.31 -0.17 0.28 -0.67 0.00 0.00 178.83 178.60 1rza h VAL 223 N -0.32 1.20 -0.91 -0.54 2.07 -1.05 -2.61 116.25 114.09 1rza h VAL 223 Ca -0.00 -0.91 0.11 0.00 0.82 0.00 0.00 66.70 66.72 1rza h VAL 223 Cb 0.31 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 1rza h VAL 223 CO 0.00 0.28 0.54 -0.07 0.02 0.00 0.00 177.57 178.34 1rza h LEU 224 N 0.23 0.78 -1.37 2.57 3.38 -0.68 -1.28 115.31 118.94 1rza h LEU 224 Ca 0.04 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1rza h LEU 224 Cb 0.45 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1rza h LEU 224 CO 0.03 0.43 -0.31 0.11 0.09 0.00 0.00 178.44 178.78 1rza h LYS 225 N 0.88 0.00 -0.79 1.13 1.57 -1.30 -2.56 116.57 115.51 1rza h LYS 225 Ca 0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.21 1rza h LYS 225 Cb 0.44 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 1rza h LYS 225 CO -0.26 0.31 0.40 0.74 -0.57 0.00 0.00 179.45 180.08 1rza h PHE 226 N 0.00 1.11 0.00 -1.35 -1.00 -1.22 -2.63 116.94 111.85 1rza h PHE 226 Ca -0.00 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1rza h PHE 226 Cb 0.57 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1rza h PHE 226 CO 0.00 0.80 0.00 0.54 -1.61 0.00 0.00 178.31 178.04 1rza n ARG 227 N -4.39 0.57 0.00 1.51 1.74 -0.96 -2.61 116.66 112.52 1rza n ARG 227 Ca 0.07 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.26 1rza n ARG 227 Cb 0.12 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.12 1rza n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1rza n LYS 228 N -0.96 0.83 -1.41 5.56 5.02 -0.99 -4.52 118.16 121.70 1rza n LYS 228 Ca 0.13 -0.67 -0.29 0.00 -2.02 0.00 0.00 58.31 55.45 1rza n LYS 228 Cb 0.06 -1.49 0.12 0.00 -0.02 0.00 0.00 35.03 33.70 1rza n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rza s LEU 229 N -2.63 2.27 0.09 -0.35 1.43 -1.07 -4.86 118.68 113.55 1rza s LEU 229 Ca 0.16 1.27 0.08 0.00 -1.03 0.00 0.00 54.13 54.61 1rza s LEU 229 Cb 0.18 -3.72 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 1rza s LEU 229 CO 0.64 -2.41 -0.20 0.20 0.23 0.00 0.00 176.35 174.81 1rza s ASN 230 N -3.75 2.46 0.02 2.29 0.02 0.07 0.14 114.94 116.19 1rza s ASN 230 Ca 0.63 -0.65 -0.18 0.00 -1.02 0.00 0.00 52.86 51.63 1rza s ASN 230 Cb -0.16 -0.14 -0.27 0.00 0.02 0.00 0.00 41.25 40.70 1rza s ASN 230 CO 0.55 0.06 1.07 -0.26 0.02 0.00 0.00 177.10 178.55 1rza h PHE 231 N 4.22 0.76 -4.11 2.20 0.04 -1.58 -3.35 116.94 115.12 1rza h PHE 231 Ca -0.45 -0.46 -0.48 0.00 2.80 0.00 0.00 57.97 59.38 1rza h PHE 231 Cb 1.18 -0.07 0.14 0.00 2.20 0.00 0.00 35.95 39.40 1rza h PHE 231 CO 0.60 1.30 0.26 0.54 -0.60 0.00 0.00 178.31 180.41 1rza s ASN 232 N -7.04 3.64 0.61 2.17 4.22 -1.26 -4.32 114.94 112.97 1rza s ASN 232 Ca -0.12 1.49 -0.05 0.00 -2.14 0.00 0.00 52.86 52.04 1rza s ASN 232 Cb 0.04 -2.17 0.03 0.00 1.28 0.00 0.00 41.25 40.43 1rza s ASN 232 CO 0.87 -2.54 0.91 -0.83 -2.04 0.00 0.00 177.10 173.47 1rza s GLY 233 N -3.47 1.66 0.33 0.45 0.00 -1.26 -0.86 107.32 104.17 1rza s GLY 233 Ca 0.63 -0.87 -0.29 0.00 0.00 0.00 0.00 44.72 44.19 1rza s GLY 233 CO 0.57 -0.55 1.41 -2.21 0.00 0.00 0.00 173.10 172.31 1rza n GLU 234 N -2.64 2.36 -1.00 2.90 2.13 -1.26 -2.00 120.64 121.13 1rza n GLU 234 Ca 0.06 0.83 -0.00 0.00 0.66 0.00 0.00 57.16 58.71 1rza n GLU 234 Cb 0.59 -2.49 -0.00 0.00 0.27 0.00 0.00 31.44 29.80 1rza n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rza n GLY 235 N 1.04 0.36 3.78 8.31 0.00 -1.26 -5.01 105.19 112.41 1rza n GLY 235 Ca 0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1rza n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rza s GLU 236 N -0.63 2.72 0.39 1.61 2.02 -0.85 -5.07 118.70 118.89 1rza s GLU 236 Ca 0.00 -1.20 -0.28 0.00 0.02 0.00 0.00 54.97 53.51 1rza s GLU 236 Cb 0.00 -2.43 -0.11 0.00 0.10 0.00 0.00 34.13 31.69 1rza s GLU 236 CO 0.00 0.34 1.48 -2.14 0.02 0.00 0.00 175.26 174.96 1rza s PRO 237 N -3.82 4.05 -0.06 0.39 0.02 -1.26 -4.89 135.00 129.43 1rza s PRO 237 Ca 0.34 2.56 -0.30 0.00 0.02 0.00 0.00 61.00 63.62 1rza s PRO 237 Cb -0.07 -2.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.49 1rza s PRO 237 CO 0.24 -0.58 1.24 -2.00 -0.33 0.00 0.00 177.00 175.57 1rza s GLU 238 N -2.15 4.33 -0.22 5.54 2.12 -1.26 -4.75 118.70 122.31 1rza s GLU 238 Ca 0.54 1.72 -0.01 0.00 0.36 0.00 0.00 54.97 57.58 1rza s GLU 238 Cb -0.46 -3.58 0.06 0.00 0.26 0.00 0.00 34.13 30.41 1rza s GLU 238 CO 0.63 -0.49 -0.01 -1.21 -0.54 0.00 0.00 175.26 173.63 1rza s GLU 239 N 2.37 1.19 0.38 4.30 2.02 -1.26 -5.07 118.70 122.64 1rza s GLU 239 Ca 0.57 -0.77 -0.27 0.00 0.02 0.00 0.00 54.97 54.52 1rza s GLU 239 Cb -0.25 -2.38 -0.10 0.00 0.10 0.00 0.00 34.13 31.49 1rza s GLU 239 CO 0.22 -0.63 1.39 -0.51 0.02 0.00 0.00 175.26 175.75 1rza s LEU 240 N 1.59 4.30 -0.83 1.80 1.43 -1.26 -1.67 118.68 124.04 1rza s LEU 240 Ca -0.03 2.85 -0.25 0.00 -1.03 0.00 0.00 54.13 55.68 1rza s LEU 240 Cb -0.18 -3.74 0.05 0.00 0.03 0.00 0.00 46.19 42.34 1rza s LEU 240 CO -0.08 -0.82 1.28 -0.32 0.23 0.00 0.00 176.35 176.65 1rza s MET 241 N -2.09 3.33 0.03 1.70 -2.45 0.12 -4.65 119.30 115.30 1rza s MET 241 Ca 0.54 -0.68 -0.07 0.00 -1.25 0.00 0.00 55.69 54.22 1rza s MET 241 Cb -0.43 -4.59 -0.00 0.00 1.25 0.00 0.00 34.83 31.06 1rza s MET 241 CO 0.57 -2.10 0.14 0.14 1.05 0.00 0.00 175.02 174.81 1rza s VAL 242 N 5.11 0.12 -1.32 10.11 -7.23 -1.26 -4.50 120.40 121.42 1rza s VAL 242 Ca 0.37 -0.96 -0.02 0.00 -1.81 0.00 0.00 61.98 59.55 1rza s VAL 242 Cb -0.06 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 36.04 1rza s VAL 242 CO 0.05 -0.53 0.80 0.47 -0.31 0.00 0.00 175.10 175.58 1rza n ASP 243 N 0.81 -1.94 -2.97 4.85 8.00 -0.29 -4.87 116.55 120.14 1rza n ASP 243 Ca -0.19 -0.78 -0.37 0.00 0.71 0.00 0.00 54.79 54.16 1rza n ASP 243 Cb 0.58 -4.23 0.01 0.00 -0.02 0.00 0.00 41.12 37.46 1rza n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1rza n ASN 244 N -3.04 7.27 -4.18 -2.24 6.94 -1.06 -4.91 115.26 114.04 1rza n ASN 244 Ca -0.24 -3.59 -0.24 0.00 -0.02 0.00 0.00 54.58 50.48 1rza n ASN 244 Cb 0.65 -1.15 -0.15 0.00 -2.36 0.00 0.00 39.78 36.78 1rza n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1rza s TRP 245 N -3.26 1.55 -0.03 -2.53 1.48 -1.26 -4.61 118.94 110.28 1rza s TRP 245 Ca 0.52 -0.33 -0.15 0.00 -1.06 0.00 0.00 56.10 55.08 1rza s TRP 245 Cb 0.36 -0.96 -0.05 0.00 -1.16 0.00 0.00 33.47 31.66 1rza s TRP 245 CO -0.29 0.02 0.40 0.50 -4.06 0.00 0.00 176.95 173.52 1rza s ARG 246 N -0.79 3.96 0.84 3.25 3.52 -1.26 -4.98 118.95 123.49 1rza s ARG 246 Ca 0.06 0.37 -0.11 0.00 -0.13 0.00 0.00 55.73 55.92 1rza s ARG 246 Cb -0.07 -3.26 0.10 0.00 -1.56 0.00 0.00 34.95 30.16 1rza s ARG 246 CO 0.00 0.61 1.09 -1.25 -0.81 0.00 0.00 175.30 174.95 1rza s PRO 247 N -0.80 1.69 0.40 5.12 0.04 -1.26 -4.67 135.00 135.53 1rza s PRO 247 Ca 0.23 1.03 -0.27 0.00 0.04 0.00 0.00 61.00 62.03 1rza s PRO 247 Cb -0.16 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1rza s PRO 247 CO 0.12 -2.00 1.45 0.00 0.04 0.00 0.00 177.00 176.61 1rza s ALA 248 N -2.90 3.44 0.28 8.56 0.00 -1.26 -4.39 121.76 125.49 1rza s ALA 248 Ca 0.63 1.50 0.07 0.00 0.00 0.00 0.00 51.96 54.16 1rza s ALA 248 Cb -0.18 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 1rza s ALA 248 CO 0.57 -1.07 0.21 -0.65 0.00 0.00 0.00 175.76 174.81 1rza s GLN 249 N -2.21 2.82 0.30 0.00 -1.52 0.11 -4.94 119.66 114.23 1rza s GLN 249 Ca 0.56 -1.15 -0.29 0.00 -1.95 0.00 0.00 55.36 52.52 1rza s GLN 249 Cb -0.45 -2.50 -0.11 0.00 -0.22 0.00 0.00 33.01 29.73 1rza s GLN 249 CO 0.59 0.31 1.52 -2.14 -0.25 0.00 0.00 175.29 175.32 1rza s PRO 250 N -3.87 4.17 0.24 2.91 0.02 -1.26 -4.58 135.00 132.63 1rza s PRO 250 Ca 0.35 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1rza s PRO 250 Cb -0.07 -3.03 0.29 0.00 0.02 0.00 0.00 34.50 31.70 1rza s PRO 250 CO 0.25 -0.53 1.64 1.25 -0.33 0.00 0.00 177.00 179.27 1rza h LEU 251 N 4.39 0.55 0.00 -5.54 5.85 -1.95 -3.44 115.31 115.17 1rza h LEU 251 Ca -0.48 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.02 1rza h LEU 251 Cb 1.22 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1rza h LEU 251 CO 0.75 0.86 0.00 0.29 -0.34 0.00 0.00 178.44 179.99 1rza n LYS 252 N -4.06 0.00 -1.31 1.25 5.02 -1.26 -2.99 118.16 114.81 1rza n LYS 252 Ca -0.01 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.06 1rza n LYS 252 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 1rza n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1rza n ASN 253 N 2.45 6.18 -4.23 4.39 4.05 -1.26 -4.91 115.26 121.92 1rza n ASN 253 Ca 0.00 -2.86 -0.20 0.00 0.45 0.00 0.00 54.58 51.97 1rza n ASN 253 Cb 0.00 -1.34 -0.12 0.00 1.23 0.00 0.00 39.78 39.55 1rza n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1rza s ARG 254 N -0.33 0.98 -0.07 1.20 0.52 -1.16 -5.14 118.95 114.95 1rza s ARG 254 Ca 0.63 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 54.74 1rza s ARG 254 Cb 0.33 -1.01 -0.02 0.00 0.52 0.00 0.00 34.95 34.76 1rza s ARG 254 CO -0.11 0.22 -0.12 -1.14 0.02 0.00 0.00 175.30 174.17 1rza s GLN 255 N -2.12 2.75 -0.20 3.54 0.74 -1.26 -5.04 119.66 118.08 1rza s GLN 255 Ca 0.04 -0.65 -0.14 0.00 0.05 0.00 0.00 55.36 54.66 1rza s GLN 255 Cb -0.08 -2.49 -0.04 0.00 1.10 0.00 0.00 33.01 31.50 1rza s GLN 255 CO 0.03 0.55 0.31 0.42 -0.55 0.00 0.00 175.29 176.05 1rza s ILE 256 N -0.52 5.27 0.06 -2.34 1.01 -1.26 -4.69 121.20 118.72 1rza s ILE 256 Ca 0.07 0.53 0.01 0.00 0.00 0.00 0.00 60.65 61.26 1rza s ILE 256 Cb -0.12 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1rza s ILE 256 CO 0.02 0.31 0.16 -0.54 0.00 0.00 0.00 174.94 174.88 1rza s LYS 257 N 1.05 3.23 -0.03 2.79 1.02 -0.42 -1.56 119.74 125.82 1rza s LYS 257 Ca 0.15 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.66 1rza s LYS 257 Cb -0.14 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 1rza s LYS 257 CO 0.06 0.60 -0.12 0.00 -0.92 0.00 0.00 175.35 174.97 1rza s ALA 258 N -1.43 2.78 -2.33 5.17 0.00 0.89 -0.93 121.76 125.91 1rza s ALA 258 Ca 0.32 -1.01 0.24 0.00 0.00 0.00 0.00 51.96 51.51 1rza s ALA 258 Cb -0.13 -1.01 0.97 0.00 0.00 0.00 0.00 23.12 22.96 1rza s ALA 258 CO 0.24 0.57 1.68 -1.13 0.00 0.00 0.00 175.76 177.13 1rza n SER 259 N 2.02 1.38 -4.05 0.00 3.41 0.15 -1.32 113.62 115.20 1rza n SER 259 Ca -0.17 -1.56 -0.12 0.00 -0.26 0.00 0.00 58.87 56.77 1rza n SER 259 Cb 0.52 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.34 1rza n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1rza s PHE 260 N -1.90 1.02 0.00 7.33 -0.71 -1.26 -4.87 117.98 117.58 1rza s PHE 260 Ca 0.35 -1.25 0.00 0.00 -1.04 0.00 0.00 56.93 55.00 1rza s PHE 260 Cb 0.19 -0.38 0.00 0.00 -1.21 0.00 0.00 43.02 41.62 1rza s PHE 260 CO 0.30 -0.76 0.25 0.36 -1.34 0.00 0.00 175.22 174.03